A0A087WUI8_HUMAN Loading...

Mannose-1-phosphate guanyltransferase alpha

AlphaFold DB , UniProt , Accession A0A087WUI8, Species HUMAN (Homo sapiens, Human), Gene GMPPA, Length 399 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
1M91.4Very high90.4Very high89 Ų8920.5 Ų20.544%0.43813%0.127SC..  01340160.7177.4-52.600107.6Q51 G105 P107 E108M1-Q51 HydrophobicContact CB-CG 4.14Å; M1-Q51 HydrophobicContact CE-CG 4.05Å; M1-Q51 HydrophobicContact CG-CB 4.02Å; M1-Q51 HydrophobicContact CG-CG 3.58Å; M1-Q51 HydrophobicContact SD-CB 4.38Å; M1-Q51 HydrophobicContact SD-CG 4.26Å; M1-G105 VanDerWaalsContact SD-O 3.38Å; M1-P107 HydrophobicContact CG-CB 4.24Å; M1-P107 CarbonylContact O-C 3.58Å; M1-P107 VanDerWaalsContact O-CA 3.32Å; M1-P107 WeakPolarHBondContact O-CA 3.46Å; M1-E108 PolarHBondContact O-N 2.95Å
2L97.6Very high87.8Confident0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-120.6151175.2-63.6166.3000110.2V47 P48 G49 M50 Q51 E108 A109 L127L2-V47 HydrophobicContact CD1-CG1 3.76Å; L2-P48 WeakPolarHBondContact CD1-O 3.48Å; L2-G49 PolarHBondContact N-O 2.89Å; L2-M50 HydrophobicContact CB-CE 4.48Å; L2-Q51 PolarHBondContact O-N 2.79Å; L2-E108 HydrophobicContact CD2-CG 3.58Å; L2-E108 HydrophobicContact CG-CG 4.38Å; L2-A109 HydrophobicContact CD2-CB 4.06Å; L2-A109 WeakPolarHBondContact CD2-O 3.47Å; L2-L127 HydrophobicContact CD1-CD1 3.93Å; L2-L127 HydrophobicContact CD1-CD2 3.47Å; L2-L127 VanDerWaalsContact CD1-CD2 3.47Å; L2-L127 HydrophobicContact CD1-CG 4.35Å; L2-L127 HydrophobicContact CD2-CD1 3.82Å
3K98.5Very high85.6Confident8 Ų840.5 Ų40.54%0.03521%0.211CC..EExtended strand (participates in β ladder)trans-125.9163.5167.3-62.1-160.4-170.3-170.10110.4M50 E52 Q101 I102 A104 P107 F110 F111K3-M50 VanDerWaalsContact C-SD 3.54Å; K3-E52 VanDerWaalsContact CA-O 3.32Å; K3-E52 WeakPolarHBondContact CA-O 3.32Å; K3-E52 HydrophobicContact CD-CB 4.16Å; K3-E52 WeakPolarHBondContact CE-OE2 3.48Å; K3-E52 HydrophobicContact CG-CB 4.33Å; K3-E52 IonicContact NZ-OE2 3.19Å; K3-E52 PolarHBondContact NZ-OE2 3.03Å; K3-Q101 PolarHBondContact NZ-O 2.88Å; K3-I102 WeakPolarHBondContact CD-O 3.32Å; K3-I102 WeakPolarHBondContact CE-O 3.33Å; K3-A104 WeakPolarHBondContact CE-O 3.22Å; K3-A104 PolarHBondContact NZ-O 3.04Å; K3-P107 HydrophobicContact CG-CB 4.36Å; K3-F110 HydrophobicContact CB-CB 4.19Å; K3-F110 CarbonylContact O-C 3.45Å; K3-F110 WeakPolarHBondContact O-CA 3.37Å; K3-F111 PolarHBondContact O-N 3.34Å
4A98.7Very high83.7Confident0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-124.7146.4167.300000110.4C44 M50 E52 I53 L54 F111 L113A4-C44 HydrophobicContact CB-CB 4.17Å; A4-C44 VanDerWaalsContact CB-SG 3.56Å; A4-M50 HydrophobicContact CB-CE 3.96Å; A4-M50 HydrophobicContact CB-SD 4.02Å; A4-E52 PolarHBondContact N-O 2.92Å; A4-I53 HydrophobicContact CB-CG1 4.24Å; A4-I53 HydrophobicContact CB-CG2 4.35Å; A4-I53 CarbonylContact O-C 3.57Å; A4-I53 WeakPolarHBondContact O-CA 3.16Å; A4-L54 PolarHBondContact O-N 3.03Å; A4-F111 CarbonylContact C-O 3.56Å; A4-F111 HydrophobicContact CB-CB 4.12Å; A4-L113 HydrophobicContact CB-CD1 4.24Å
5V98.6Very high82.4Confident0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-120120.7171.8-177.50000108.3L7 L54 I56 L95 I102 F110 F111 V112 L113V5-L7 HydrophobicContact CG1-CD2 4.04Å; V5-L54 CarbonylContact C-O 3.57Å; V5-L54 WeakPolarHBondContact CA-O 3.42Å; V5-L54 HydrophobicContact CG2-CB 4.46Å; V5-I56 HydrophobicContact CG1-CB 4.38Å; V5-I56 HydrophobicContact CG1-CD1 3.39Å; V5-I56 HydrophobicContact CG1-CG1 3.74Å; V5-L95 HydrophobicContact CB-CD2 4.14Å; V5-L95 HydrophobicContact CG1-CD2 3.64Å; V5-L95 HydrophobicContact CG2-CD2 4.35Å; V5-I102 HydrophobicContact CG2-CD1 3.95Å; V5-I102 HydrophobicContact CG2-CG1 3.88Å; V5-I102 HydrophobicContact CG2-CG2 4.33Å; V5-F110 HydrophobicContact CG2-CD2 4.23Å; V5-F111 PolarHBondContact N-O 3.17Å; V5-V112 HydrophobicContact CB-CG2 4.34Å; V5-V112 CarbonylContact O-C 3.56Å; V5-V112 VanDerWaalsContact O-CA 3.29Å; V5-V112 WeakPolarHBondContact O-CA 3.47Å; V5-L113 PolarHBondContact O-N 3.37Å
6I98.3Very high81.5Confident0 Ų048.7 Ų48.70%024%0.242CC..EExtended strand (participates in β ladder)trans-105.7112.5176.2-58.3171.3000108I8 H40 I41 I53 L54 L55 I56 L113 A115I6-I8 HydrophobicContact CG2-CG2 3.99Å; I6-I8 PolarHBondContact O-N 3Å; I6-H40 HydrophobicContact CD1-CB 3.71Å; I6-H40 HydrophobicContact CG1-CB 4.38Å; I6-I41 HydrophobicContact CD1-CG1 3.86Å; I6-I53 HydrophobicContact CD1-CG2 3.62Å; I6-I53 HydrophobicContact CG1-CG2 4.04Å; I6-L54 PolarHBondContact N-O 3.48Å; I6-L55 HydrophobicContact CB-CG 4.34Å; I6-L55 HydrophobicContact CD1-CD1 4.48Å; I6-L55 WeakPolarHBondContact O-CA 3.01Å; I6-I56 PolarHBondContact O-N 2.82Å; I6-L113 CarbonylContact C-O 3.46Å; I6-L113 WeakPolarHBondContact CA-O 3.48Å; I6-L113 HydrophobicContact CG1-CD1 4.14Å; I6-A115 HydrophobicContact CG2-CB 3.91Å
7L96.8Very high80.8Confident21 Ų2145.9 Ų45.911%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-79.4101.3177.6-58.7-179.4000108.9V5 I56 T91 L95 V112 L113 A115V5-L7 HydrophobicContact CG1-CD2 4.04Å; L7-I56 HydrophobicContact CD2-CB 4.2Å; L7-T91 VanDerWaalsContact CD1-O 3.23Å; L7-T91 WeakPolarHBondContact CD1-O 3.3Å; L7-L95 HydrophobicContact CD2-CD2 4.08Å; L7-L95 HydrophobicContact CD2-CG 4.39Å; L7-V112 HydrophobicContact CD1-CG1 3.73Å; L7-V112 HydrophobicContact CG-CG1 3.94Å; L7-L113 PolarHBondContact N-O 3Å; L7-A115 VanDerWaalsContact O-CB 3.26Å; L7-A115 WeakPolarHBondContact O-CB 3.44Å; L7-A115 PolarHBondContact O-N 2.81Å
8I92.9Very high80.1Confident12 Ų1249.7 Ų49.76%0.06224%0.239CC..EExtended strand (participates in β ladder)trans-89.6-12.7-179.666.7169.5000112.7I6 P27 I37 L55 I56 Y59 Y82 A115I6-I8 HydrophobicContact CG2-CG2 3.99Å; I6-I8 PolarHBondContact O-N 3Å; I8-P27 HydrophobicContact CB-CB 4.41Å; I8-P27 HydrophobicContact CB-CG 3.76Å; I8-P27 HydrophobicContact CG2-CB 4.34Å; I8-P27 HydrophobicContact CG2-CG 4.23Å; I8-I37 HydrophobicContact CG2-CG2 4.17Å; I8-L55 HydrophobicContact CD1-CB 4.43Å; I8-L55 HydrophobicContact CG2-CB 4.33Å; I8-L55 HydrophobicContact CG2-CD2 4.1Å; I8-L55 HydrophobicContact CG2-CG 4.16Å; I8-I56 WeakPolarHBondContact CG1-O 3.48Å; I8-I56 PolarHBondContact N-O 3.35Å; I8-Y59 HydrophobicContact CB-CE2 4.48Å; I8-Y59 HydrophobicContact CD1-CD2 3.78Å; I8-Y59 HydrophobicContact CD1-CE2 4.28Å; I8-Y59 HydrophobicContact CG1-CD2 4.09Å; I8-Y59 HydrophobicContact CG1-CE2 4.24Å; I8-Y59 WeakPolarHBondContact O-CE2 3.38Å; I8-Y82 HydrophobicContact CD1-CD2 4.01Å; I8-Y82 HydrophobicContact CD1-CE2 3.61Å; I8-Y82 HydrophobicContact CG1-CE2 4.35Å; I8-A115 HydrophobicContact CB-CB 4.3Å; I8-A115 HydrophobicContact CG2-CB 3.89Å
9G84.8Confident79.5Confident24 Ų2450.1 Ų50.125%0.24725%0.247CC..EExtended strand (participates in β ladder)trans64.6-154.5-179.900000112.4G57 F58 Y59G9-G57 CarbonylContact O-C 3.5Å; G9-G57 WeakPolarHBondContact O-CA 3.27Å; G9-F58 PolarHBondContact O-N 3.43Å; G9-Y59 WeakPolarHBondContact O-CD2 3.42Å; G9-Y59 WeakPolarHBondContact O-CE2 3.4Å
10G75.5Confident79.1Confident9 Ų947.9 Ų47.99%0.09324%0.236CC..  trans-128173.2178.600000113.8Q12 K13G10-Q12 PolarHBondContact O-N 2.87Å; G10-K13 WeakPolarHBondContact O-CB 3.32Å; G10-K13 PolarHBondContact O-N 2.9Å
11P60.9Low78.6Confident63 Ų6346.8 Ų46.841%0.40923%0.233SC..G310 helixtrans-53.3-27.7-177.5-26.630.3000114.6K13 G14 F58 Y59P11-K13 VanDerWaalsContact C-N 3.26Å; P11-K13 PolarHBondContact O-N 2.91Å; P11-G14 PolarHBondContact O-N 3.42Å; P11-F58 WeakPolarHBondContact CD-O 3.31Å; P11-Y59 HydrophobicContact CB-CE1 4.48Å; P11-Y59 HydrophobicContact CG-CD1 3.96Å; P11-Y59 HydrophobicContact CG-CE1 4.04Å
12Q60.2Low77.7Confident143 Ų14349 Ų4967%0.66824%0.24SC*.G310 helixtrans-70.4-19.3178.2-60.5-175.6600113.4G10 G14 T15G10-Q12 PolarHBondContact O-N 2.87Å; Q12-G14 VanDerWaalsContact C-N 3.34Å; Q12-T15 WeakPolarHBondContact O-CG2 3.28Å
13K59.2Low76.4Confident158 Ų15854 Ų5469%0.68726%0.263SS*.G310 helixtrans-85.1-5.8178.1-63.4-74.4-176172.80113.3G10 P11G10-K13 WeakPolarHBondContact O-CB 3.32Å; G10-K13 PolarHBondContact O-N 2.9Å; P11-K13 VanDerWaalsContact C-N 3.26Å; P11-K13 PolarHBondContact O-N 2.91Å
14G59.1Low75.6Confident2 Ų254.9 Ų54.92%0.02127%0.269CS..G310 helixtrans-105.214.4-179.800000115.1P11 Q12 R16 F17 S21P11-G14 PolarHBondContact O-N 3.42Å; Q12-G14 VanDerWaalsContact C-N 3.34Å; G14-R16 VanDerWaalsContact C-N 3.33Å; G14-R16 PolarHBondContact O-N 2.7Å; G14-F17 VanDerWaalsContact O-CB 3.29Å; G14-F17 WeakPolarHBondContact O-CB 3.29Å; G14-F17 PolarHBondContact O-N 2.73Å; G14-S21 PolarHBondContact O-OG 3.37Å
15T63.4Low74.9Confident68 Ų6855.5 Ų55.542%0.41727%0.274SS..G310 helixtrans-63.2-35.7-173.8500000113.4Q12 F17 R18Q12-T15 WeakPolarHBondContact O-CG2 3.28Å; T15-F17 PolarHBondContact O-N 2.77Å; T15-R18 VanDerWaalsContact O-CB 3.32Å; T15-R18 WeakPolarHBondContact O-CB 3.48Å; T15-R18 WeakPolarHBondContact O-CG 2.96Å; T15-R18 PolarHBondContact O-N 2.73Å; T15-R18 VanDerWaalsContact O-N 3.14Å
16R68.1Low74.4Confident182 Ų18256.3 Ų56.369%0.68728%0.277SS*.G310 helixtrans-73.8-6.2175.3-61.7-178.3-167.1-175.51.3114.1G14 K249G14-R16 VanDerWaalsContact C-N 3.33Å; G14-R16 PolarHBondContact O-N 2.7Å; R16-K249 VanDerWaalsContact CB-O 3.29Å; R16-K249 WeakPolarHBondContact CB-O 3.38Å
17F69Low74.1Confident2 Ų256.5 Ų56.51%0.00928%0.279CS..G310 helixtrans-96.5-7.6172.1-112.6-103.4000112.2G14 T15 L20 S21 K26 F29 I248 S250 A254G14-F17 VanDerWaalsContact O-CB 3.29Å; G14-F17 WeakPolarHBondContact O-CB 3.29Å; G14-F17 PolarHBondContact O-N 2.73Å; T15-F17 PolarHBondContact O-N 2.77Å; F17-L20 HydrophobicContact CD1-CB 4.36Å; F17-L20 HydrophobicContact CD1-CD1 4.47Å; F17-L20 WeakPolarHBondContact O-CA 3.48Å; F17-L20 VanDerWaalsContact O-CB 3.23Å; F17-L20 WeakPolarHBondContact O-CB 3.43Å; F17-L20 PolarHBondContact O-N 2.85Å; F17-S21 PolarHBondContact O-N 2.87Å; F17-K26 HydrophobicContact CD2-CD 4.39Å; F17-K26 HydrophobicContact CG-CG 4.45Å; F17-F29 HydrophobicContact CD1-CD2 4.2Å; F17-F29 HydrophobicContact CD1-CG 4.27Å; F17-F29 HydrophobicContact CE1-CB 4.2Å; F17-F29 AromaticContact CE1-CD1 3.6Å; F17-F29 HydrophobicContact CE1-CD1 3.6Å; F17-F29 AromaticContact CE1-CD2 3.81Å; F17-F29 HydrophobicContact CE1-CD2 3.81Å; F17-F29 AromaticContact CE1-CE1 3.89Å; F17-F29 HydrophobicContact CE1-CE1 3.89Å; F17-F29 HydrophobicContact CE1-CE2 4.1Å; F17-F29 AromaticContact CE1-CG 3.56Å; F17-F29 HydrophobicContact CE1-CG 3.56Å; F17-F29 HydrophobicContact CE1-CZ 4.13Å; F17-F29 HydrophobicContact CZ-CD1 4.16Å; F17-F29 HydrophobicContact CZ-CE1 4.44Å; F17-F29 HydrophobicContact CZ-CG 4.47Å; F17-I248 HydrophobicContact CE2-CG2 3.67Å; F17-I248 HydrophobicContact CZ-CG2 3.53Å; F17-S250 WeakPolarHBondContact CE2-O 3.31Å; F17-A254 HydrophobicContact CE1-CB 4.36Å; F17-A254 HydrophobicContact CZ-CB 3.76Å
18R68.3Low73.9Confident113 Ų11356.4 Ų56.443%0.42628%0.278SS..THydrogen-bonded Turntrans-66.9143.5178.3-67174.1177.8-177-0.4109.8T15 S21 F22T15-R18 VanDerWaalsContact O-CB 3.32Å; T15-R18 WeakPolarHBondContact O-CB 3.48Å; T15-R18 WeakPolarHBondContact O-CG 2.96Å; T15-R18 PolarHBondContact O-N 2.73Å; T15-R18 VanDerWaalsContact O-N 3.14Å; R18-S21 VanDerWaalsContact CG-OG 3.31Å; R18-S21 WeakPolarHBondContact CG-OG 3.25Å; R18-S21 PolarHBondContact N-OG 3.26Å; R18-F22 HydrophobicContact CB-CE1 4.45Å; R18-F22 HydrophobicContact CB-CE2 4.28Å; R18-F22 HydrophobicContact CB-CZ 4.09Å; R18-F22 VanDerWaalsContact CD-CE1 3.47Å; R18-F22 HydrophobicContact CG-CD1 4.23Å; R18-F22 HydrophobicContact CG-CE1 3.76Å; R18-F22 HydrophobicContact CG-CE2 4.43Å; R18-F22 HydrophobicContact CG-CZ 3.88Å
19P68.8Low73.9Confident58 Ų5855.9 Ų55.938%0.37728%0.275SS..THydrogen-bonded Turncis-78.4-8.94.430.4-39000117S21 F22 L382P19-S21 VanDerWaalsContact C-N 3.26Å; P19-S21 PolarHBondContact O-N 3Å; P19-F22 HydrophobicContact CB-CD2 3.81Å; P19-F22 HydrophobicContact CB-CE2 4.05Å; P19-F22 WeakPolarHBondContact O-CB 3.16Å; P19-F22 WeakPolarHBondContact O-CD2 3.35Å; P19-F22 PolarHBondContact O-N 3.26Å; P19-L382 HydrophobicContact CG-CB 4.45Å; P19-L382 HydrophobicContact CG-CD1 4.08Å
20L71.9Confident74.4Confident6 Ų655.9 Ų55.93%0.03127%0.271CS..G310 helixtrans-59.4-33.5-173-62.8170.3000114.2F17 F22 F29 A251 L325 I340 L382F17-L20 HydrophobicContact CD1-CB 4.36Å; F17-L20 HydrophobicContact CD1-CD1 4.47Å; F17-L20 WeakPolarHBondContact O-CA 3.48Å; F17-L20 VanDerWaalsContact O-CB 3.23Å; F17-L20 WeakPolarHBondContact O-CB 3.43Å; F17-L20 PolarHBondContact O-N 2.85Å; L20-F22 PolarHBondContact O-N 3.15Å; L20-F29 HydrophobicContact CB-CD2 4.38Å; L20-F29 HydrophobicContact CB-CE2 4.1Å; L20-F29 HydrophobicContact CD1-CE2 3.69Å; L20-F29 HydrophobicContact CD1-CZ 4.05Å; L20-F29 HydrophobicContact CD2-CE2 4.43Å; L20-F29 HydrophobicContact CG-CE2 4.3Å; L20-A251 HydrophobicContact CD1-CB 4.11Å; L20-L325 HydrophobicContact CD2-CD1 3.49Å; L20-L325 VanDerWaalsContact CD2-CD1 3.49Å; L20-I340 HydrophobicContact CD1-CD1 4.23Å; L20-I340 HydrophobicContact CD1-CG2 4.14Å; L20-I340 HydrophobicContact CD2-CG2 4.37Å; L20-L382 HydrophobicContact CD1-CD2 3.6Å; L20-L382 HydrophobicContact CD2-CD2 3.73Å; L20-L382 HydrophobicContact CG-CD1 4.32Å; L20-L382 HydrophobicContact CG-CD2 3.7Å
21S69.7Low75.3Confident24 Ų2455.4 Ų55.417%0.16827%0.266CS..G310 helixtrans-79.94.4178.654.70000114.8G14 F17 R18 P19 V24G14-S21 PolarHBondContact O-OG 3.37Å; F17-S21 PolarHBondContact O-N 2.87Å; R18-S21 VanDerWaalsContact CG-OG 3.31Å; R18-S21 WeakPolarHBondContact CG-OG 3.25Å; R18-S21 PolarHBondContact N-OG 3.26Å; P19-S21 VanDerWaalsContact C-N 3.26Å; P19-S21 PolarHBondContact O-N 3Å; S21-V24 CarbonylContact C-O 3.55Å; S21-V24 WeakPolarHBondContact CA-O 3.24Å
22F71Confident77Confident137 Ų13752.4 Ų52.460%0.60125%0.247SC*.G310 helixtrans-79.6-34.8172.2-68.3-39.4000113R18 P19 L20R18-F22 HydrophobicContact CB-CE1 4.45Å; R18-F22 HydrophobicContact CB-CE2 4.28Å; R18-F22 HydrophobicContact CB-CZ 4.09Å; R18-F22 VanDerWaalsContact CD-CE1 3.47Å; R18-F22 HydrophobicContact CG-CD1 4.23Å; R18-F22 HydrophobicContact CG-CE1 3.76Å; R18-F22 HydrophobicContact CG-CE2 4.43Å; R18-F22 HydrophobicContact CG-CZ 3.88Å; P19-F22 HydrophobicContact CB-CD2 3.81Å; P19-F22 HydrophobicContact CB-CE2 4.05Å; P19-F22 WeakPolarHBondContact O-CB 3.16Å; P19-F22 WeakPolarHBondContact O-CD2 3.35Å; P19-F22 PolarHBondContact O-N 3.26Å; L20-F22 PolarHBondContact O-N 3.15Å
23E71.8Confident78.7Confident103 Ų10346.3 Ų46.348%0.48122%0.222SC..THydrogen-bonded Turntrans-84.1-39.5-178.8-70.8-165.3-154.600112.6W343 P385E23-W343 HydrophobicContact CB-CG 4.44Å; E23-W343 VanDerWaalsContact CD-CB 3.48Å; E23-W343 WeakPolarHBondContact OE2-CB 3.23Å; E23-P385 WeakPolarHBondContact OE1-CG 3.29Å
24V80.1Confident80.5Confident27 Ų2739.3 Ų39.316%0.16419%0.193CC..SBendtrans-131.1143.4179.1-63.70000110.8S21 K26 W343S21-V24 CarbonylContact C-O 3.55Å; S21-V24 WeakPolarHBondContact CA-O 3.24Å; V24-K26 PolarHBondContact O-N 3.07Å; V24-W343 HydrophobicContact CG1-CZ2 4.3Å; V24-W343 HydrophobicContact CG2-CH2 4.18Å; V24-W343 HydrophobicContact CG2-CZ2 3.43Å; V24-W343 VanDerWaalsContact CG2-CZ2 3.43Å
25P85.3Confident82.2Confident14 Ų1440.7 Ų40.79%0.09120%0.201CC..  trans-48.9137.2167.4-2834.6000111P27 L28 F29 Y59P25-P27 VanDerWaalsContact C-N 3.27Å; P25-P27 VanDerWaalsContact O-N 3.15Å; P25-L28 HydrophobicContact CB-CG 4.47Å; P25-L28 HydrophobicContact CG-CD1 4.27Å; P25-L28 WeakPolarHBondContact O-CA 3.39Å; P25-L28 WeakPolarHBondContact O-CB 3.4Å; P25-L28 PolarHBondContact O-N 3.07Å; P25-F29 PolarHBondContact O-N 3.11Å; P25-Y59 HydrophobicContact CB-CD1 3.88Å; P25-Y59 HydrophobicContact CB-CE1 3.75Å; P25-Y59 HydrophobicContact CG-CD1 4.24Å
26K88.5Confident83.7Confident16 Ų1637.6 Ų37.67%0.0718%0.182CC..G310 helixtrans-48.8-41.6178-179.8-172.8175.8-167.40113.6F17 V24 L28 F29 D116 I248F17-K26 HydrophobicContact CD2-CD 4.39Å; F17-K26 HydrophobicContact CG-CG 4.45Å; V24-K26 PolarHBondContact O-N 3.07Å; K26-L28 PolarHBondContact O-N 3.07Å; K26-L28 VanDerWaalsContact O-N 3.13Å; K26-F29 VanDerWaalsContact O-CB 3.25Å; K26-F29 WeakPolarHBondContact O-CB 3.37Å; K26-F29 PolarHBondContact O-N 3.17Å; K26-D116 IonicContact NZ-OD2 3.66Å; K26-I248 WeakPolarHBondContact CE-O 3.4Å; K26-I248 PolarHBondContact NZ-O 2.99Å
27P91.6Very high85.1Confident5 Ų529 Ų293%0.03215%0.149CC..G310 helixtrans-54.1-29.8175.1-29.237.6000114.4I8 P25 M36 I37 Y59I8-P27 HydrophobicContact CB-CB 4.41Å; I8-P27 HydrophobicContact CB-CG 3.76Å; I8-P27 HydrophobicContact CG2-CB 4.34Å; I8-P27 HydrophobicContact CG2-CG 4.23Å; P25-P27 VanDerWaalsContact C-N 3.27Å; P25-P27 VanDerWaalsContact O-N 3.15Å; P27-M36 WeakPolarHBondContact O-CB 3.32Å; P27-M36 PolarHBondContact O-N 2.82Å; P27-I37 HydrophobicContact CB-CD1 4.12Å; P27-I37 HydrophobicContact CB-CG1 4.46Å; P27-I37 HydrophobicContact CB-CG2 3.57Å; P27-I37 WeakPolarHBondContact O-CG1 3.41Å; P27-I37 PolarHBondContact O-N 3.47Å; P27-I37 VanDerWaalsContact O-N 3.13Å; P27-Y59 WeakPolarHBondContact CD-OH 3.48Å; P27-Y59 HydrophobicContact CG-CE2 3.94Å
28L92.6Very high86.4Confident18 Ų1829.8 Ų29.89%0.09415%0.153CC..G310 helixtrans-92.7-1-179.3-59.3-178.7000113.7P25 K26 P35 I37 P64 L65 F68P25-L28 HydrophobicContact CB-CG 4.47Å; P25-L28 HydrophobicContact CG-CD1 4.27Å; P25-L28 WeakPolarHBondContact O-CA 3.39Å; P25-L28 WeakPolarHBondContact O-CB 3.4Å; P25-L28 PolarHBondContact O-N 3.07Å; K26-L28 PolarHBondContact O-N 3.07Å; K26-L28 VanDerWaalsContact O-N 3.13Å; L28-P35 HydrophobicContact CD2-CB 4.41Å; L28-I37 HydrophobicContact CD2-CD1 3.68Å; L28-I37 HydrophobicContact CD2-CG1 4.19Å; L28-P64 HydrophobicContact CD1-CB 3.95Å; L28-L65 HydrophobicContact CD1-CB 4.26Å; L28-L65 HydrophobicContact CD1-CD1 4.46Å; L28-L65 HydrophobicContact CD2-CD1 4.29Å; L28-F68 HydrophobicContact CD2-CB 3.89Å; L28-F68 HydrophobicContact CD2-CD1 3.83Å; L28-F68 HydrophobicContact CD2-CD2 4.13Å; L28-F68 HydrophobicContact CD2-CE1 4.49Å; L28-F68 HydrophobicContact CD2-CG 3.63Å
29F92.4Very high87.8Confident2 Ų224.8 Ų24.81%0.00914%0.135CC..  trans-59.9130.3176.3-176.1-93.8000110F17 L20 P25 K26 V31 M36 A254 I323 L325 I340 W343F17-F29 HydrophobicContact CD1-CD2 4.2Å; F17-F29 HydrophobicContact CD1-CG 4.27Å; F17-F29 HydrophobicContact CE1-CB 4.2Å; F17-F29 AromaticContact CE1-CD1 3.6Å; F17-F29 HydrophobicContact CE1-CD1 3.6Å; F17-F29 AromaticContact CE1-CD2 3.81Å; F17-F29 HydrophobicContact CE1-CD2 3.81Å; F17-F29 AromaticContact CE1-CE1 3.89Å; F17-F29 HydrophobicContact CE1-CE1 3.89Å; F17-F29 HydrophobicContact CE1-CE2 4.1Å; F17-F29 AromaticContact CE1-CG 3.56Å; F17-F29 HydrophobicContact CE1-CG 3.56Å; F17-F29 HydrophobicContact CE1-CZ 4.13Å; F17-F29 HydrophobicContact CZ-CD1 4.16Å; F17-F29 HydrophobicContact CZ-CE1 4.44Å; F17-F29 HydrophobicContact CZ-CG 4.47Å; L20-F29 HydrophobicContact CB-CD2 4.38Å; L20-F29 HydrophobicContact CB-CE2 4.1Å; L20-F29 HydrophobicContact CD1-CE2 3.69Å; L20-F29 HydrophobicContact CD1-CZ 4.05Å; L20-F29 HydrophobicContact CD2-CE2 4.43Å; L20-F29 HydrophobicContact CG-CE2 4.3Å; P25-F29 PolarHBondContact O-N 3.11Å; K26-F29 VanDerWaalsContact O-CB 3.25Å; K26-F29 WeakPolarHBondContact O-CB 3.37Å; K26-F29 PolarHBondContact O-N 3.17Å; F29-V31 HydrophobicContact CD1-CG2 3.84Å; F29-V31 HydrophobicContact CE1-CG2 4.16Å; F29-M36 HydrophobicContact CB-SD 4.06Å; F29-M36 HydrophobicContact CD1-SD 4.35Å; F29-M36 VanDerWaalsContact O-CG 3.32Å; F29-M36 WeakPolarHBondContact O-CG 3.35Å; F29-M36 PolarHBondContact O-N 3.21Å; F29-A254 HydrophobicContact CD1-CB 4.4Å; F29-A254 HydrophobicContact CE1-CB 3.78Å; F29-I323 HydrophobicContact CE1-CD1 4.35Å; F29-L325 HydrophobicContact CE2-CD1 3.84Å; F29-L325 HydrophobicContact CE2-CD2 3.99Å; F29-L325 HydrophobicContact CZ-CD1 4.38Å; F29-L325 HydrophobicContact CZ-CD2 4.07Å; F29-I340 HydrophobicContact CZ-CD1 4.1Å; F29-I340 HydrophobicContact CZ-CG2 4.38Å; F29-W343 HydrophobicContact CD2-CZ2 4.44Å
30P94.3Very high89.2Confident23 Ų2322.1 Ų22.115%0.14912%0.117CC..EExtended strand (participates in β ladder)trans-78.3128.7-175.630-34.8000111.3V34 L325 W343P30-V34 CarbonylContact C-O 3.54Å; P30-V34 VanDerWaalsContact CA-O 3.3Å; P30-V34 WeakPolarHBondContact CA-O 3.43Å; P30-L325 HydrophobicContact CG-CD2 3.38Å; P30-W343 HydrophobicContact CG-CH2 3.78Å; P30-W343 HydrophobicContact CG-CZ2 4.38Å
31V95.6Very high90.4Very high0 Ų021.8 Ų21.80%012%0.116CC..EExtended strand (participates in β ladder)trans-129.4123175.1178.70000107.7F29 G33 V34 M36 H39 I248 A257 Y261F29-V31 HydrophobicContact CD1-CG2 3.84Å; F29-V31 HydrophobicContact CE1-CG2 4.16Å; V31-G33 PolarHBondContact O-N 3.27Å; V31-V34 PolarHBondContact N-O 3.2Å; V31-V34 VanDerWaalsContact O-O 3.11Å; V31-M36 HydrophobicContact CB-CG 4.21Å; V31-M36 HydrophobicContact CG2-CG 3.46Å; V31-M36 VanDerWaalsContact CG2-CG 3.46Å; V31-M36 HydrophobicContact CG2-SD 4.15Å; V31-H39 PolarHBondContact O-NE2 3.36Å; V31-I248 HydrophobicContact CG2-CD1 4.42Å; V31-A257 HydrophobicContact CG1-CB 3.87Å; V31-Y261 HydrophobicContact CG1-CD2 3.8Å; V31-Y261 HydrophobicContact CG1-CE2 4.28Å
32A96.9Very high91.8Very high0 Ų021.6 Ų21.60%011%0.112CC..THydrogen-bonded Turntrans5339.9-17100000113.3V34 S258 Y261 L262 Y265A32-V34 PolarHBondContact O-N 3.06Å; A32-S258 WeakPolarHBondContact CA-OG 3.33Å; A32-S258 PolarHBondContact N-OG 3.43Å; A32-S258 VanDerWaalsContact N-OG 3.11Å; A32-Y261 VanDerWaalsContact CB-CB 3.48Å; A32-L262 HydrophobicContact CB-CD2 4.06Å; A32-L262 HydrophobicContact CB-CG 3.82Å; A32-Y265 HydrophobicContact CB-CE2 3.96Å; A32-Y265 VanDerWaalsContact O-CE2 3.25Å; A32-Y265 WeakPolarHBondContact O-CE2 3.41Å; A32-Y265 PolarHBondContact O-OH 3.43Å
33G95.9Very high93Very high15 Ų1515.8 Ų15.816%0.1559%0.089CC..THydrogen-bonded Turntrans89.5-9.6170.800000117V31 Y288V31-G33 PolarHBondContact O-N 3.27Å; G33-Y288 PolarHBondContact O-OH 2.9Å
34V96.2Very high94.3Very high11 Ų1110.9 Ų10.97%0.0677%0.066CC..EExtended strand (participates in β ladder)trans-129154.6179-59.90000111P30 V31 A32 Q38 H39 Y265P30-V34 CarbonylContact C-O 3.54Å; P30-V34 VanDerWaalsContact CA-O 3.3Å; P30-V34 WeakPolarHBondContact CA-O 3.43Å; V31-V34 PolarHBondContact N-O 3.2Å; V31-V34 VanDerWaalsContact O-O 3.11Å; A32-V34 PolarHBondContact O-N 3.06Å; V34-Q38 HydrophobicContact CB-CB 4.27Å; V34-Q38 HydrophobicContact CB-CG 4.38Å; V34-Q38 HydrophobicContact CG2-CB 4.29Å; V34-H39 VanDerWaalsContact CG2-CE1 3.49Å; V34-H39 WeakPolarHBondContact CG2-CE1 3.38Å; V34-H39 VanDerWaalsContact CG2-NE2 3.26Å; V34-H39 WeakPolarHBondContact CG2-NE2 3.27Å; V34-Y265 WeakPolarHBondContact CG2-OH 3.48Å
35P95.7Very high95.1Very high30 Ų3011.3 Ų11.320%0.1957%0.073CC..EExtended strand (participates in β ladder)trans-49.9141.8172.7-32.139.8000113.7L28 I37 Q38 F68L28-P35 HydrophobicContact CD2-CB 4.41Å; P35-I37 VanDerWaalsContact C-N 3.25Å; P35-I37 HydrophobicContact CB-CG1 4.46Å; P35-I37 PolarHBondContact O-N 3.12Å; P35-Q38 HydrophobicContact CB-CB 4.34Å; P35-Q38 VanDerWaalsContact O-CB 3.26Å; P35-Q38 WeakPolarHBondContact O-CB 3.33Å; P35-Q38 PolarHBondContact O-N 3.18Å; P35-F68 HydrophobicContact CB-CD2 4.2Å; P35-F68 HydrophobicContact CB-CE2 3.78Å; P35-F68 HydrophobicContact CB-CZ 4.38Å; P35-F68 HydrophobicContact CG-CD2 3.84Å; P35-F68 HydrophobicContact CG-CE2 3.71Å
36M94.8Very high95.6Very high4 Ų416.7 Ų16.72%0.0210%0.097CC..Hα-helixtrans-50.7-43178.9-79.4171.657.500113.2P27 F29 V31 Q38 H39 H40 A115 D116 I248P27-M36 WeakPolarHBondContact O-CB 3.32Å; P27-M36 PolarHBondContact O-N 2.82Å; F29-M36 HydrophobicContact CB-SD 4.06Å; F29-M36 HydrophobicContact CD1-SD 4.35Å; F29-M36 VanDerWaalsContact O-CG 3.32Å; F29-M36 WeakPolarHBondContact O-CG 3.35Å; F29-M36 PolarHBondContact O-N 3.21Å; V31-M36 HydrophobicContact CB-CG 4.21Å; V31-M36 HydrophobicContact CG2-CG 3.46Å; V31-M36 VanDerWaalsContact CG2-CG 3.46Å; V31-M36 HydrophobicContact CG2-SD 4.15Å; M36-Q38 VanDerWaalsContact C-N 3.29Å; M36-Q38 PolarHBondContact O-N 2.88Å; M36-H39 PolarHBondContact O-N 3.14Å; M36-H40 PolarHBondContact O-ND1 3.24Å; M36-A115 WeakPolarHBondContact CE-O 3.42Å; M36-D116 HydrophobicContact CE-CB 4.5Å; M36-I248 HydrophobicContact CE-CB 3.68Å; M36-I248 HydrophobicContact CE-CD1 3.68Å; M36-I248 HydrophobicContact CE-CG1 4.29Å; M36-I248 HydrophobicContact CE-CG2 3.69Å; M36-I248 HydrophobicContact CG-CD1 4.17Å; M36-I248 HydrophobicContact SD-CB 4.4Å; M36-I248 HydrophobicContact SD-CD1 4.2Å; M36-I248 HydrophobicContact SD-CG2 3.78Å
37I95.8Very high96Very high0 Ų016.2 Ų16.20%010%0.095CC..Hα-helixtrans-72.1-18.9179.157.1177.1000114.1I8 P27 L28 P35 H39 H40 I41 L55 L65 F68 A115I8-I37 HydrophobicContact CG2-CG2 4.17Å; P27-I37 HydrophobicContact CB-CD1 4.12Å; P27-I37 HydrophobicContact CB-CG1 4.46Å; P27-I37 HydrophobicContact CB-CG2 3.57Å; P27-I37 WeakPolarHBondContact O-CG1 3.41Å; P27-I37 PolarHBondContact O-N 3.47Å; P27-I37 VanDerWaalsContact O-N 3.13Å; L28-I37 HydrophobicContact CD2-CD1 3.68Å; L28-I37 HydrophobicContact CD2-CG1 4.19Å; P35-I37 VanDerWaalsContact C-N 3.25Å; P35-I37 HydrophobicContact CB-CG1 4.46Å; P35-I37 PolarHBondContact O-N 3.12Å; I37-H39 VanDerWaalsContact C-N 3.31Å; I37-H39 PolarHBondContact O-N 2.96Å; I37-H40 WeakPolarHBondContact O-CB 3.4Å; I37-H40 PolarHBondContact O-N 3.21Å; I37-H40 VanDerWaalsContact O-N 3.17Å; I37-I41 WeakPolarHBondContact O-CG1 3.5Å; I37-I41 PolarHBondContact O-N 3.3Å; I37-L55 HydrophobicContact CD1-CD2 3.92Å; I37-L65 HydrophobicContact CD1-CD1 4.42Å; I37-F68 HydrophobicContact CD1-CD1 3.63Å; I37-F68 HydrophobicContact CD1-CE1 3.25Å; I37-F68 HydrophobicContact CD1-CZ 3.97Å; I37-F68 HydrophobicContact CG1-CD1 4.23Å; I37-F68 HydrophobicContact CG1-CE1 3.48Å; I37-F68 VanDerWaalsContact CG1-CE1 3.48Å; I37-F68 HydrophobicContact CG1-CZ 3.65Å; I37-A115 HydrophobicContact CG2-CB 3.96Å
38Q97.2Very high96.1Very high19 Ų1920 Ų209%0.08912%0.12CC..Hα-helixtrans-63.1-39.9175.5-174.2164.2-13.900110.9V34 P35 M36 H40 I41 E42 F68 E75 F76V34-Q38 HydrophobicContact CB-CB 4.27Å; V34-Q38 HydrophobicContact CB-CG 4.38Å; V34-Q38 HydrophobicContact CG2-CB 4.29Å; P35-Q38 HydrophobicContact CB-CB 4.34Å; P35-Q38 VanDerWaalsContact O-CB 3.26Å; P35-Q38 WeakPolarHBondContact O-CB 3.33Å; P35-Q38 PolarHBondContact O-N 3.18Å; M36-Q38 VanDerWaalsContact C-N 3.29Å; M36-Q38 PolarHBondContact O-N 2.88Å; Q38-H40 PolarHBondContact O-N 3.27Å; Q38-I41 PolarHBondContact O-N 3.27Å; Q38-E42 WeakPolarHBondContact O-CB 3.44Å; Q38-E42 PolarHBondContact O-N 3.22Å; Q38-F68 HydrophobicContact CB-CE2 4.08Å; Q38-F68 HydrophobicContact CB-CZ 4.05Å; Q38-E75 PolarHBondContact NE2-OE1 3.47Å; Q38-E75 PolarHBondContact NE2-OE2 3.07Å; Q38-F76 HydrophobicContact CG-CE2 4.16Å; Q38-F76 HydrophobicContact CG-CZ 4.01Å
39H97.7Very high96.2Very high9 Ų921.1 Ų21.14%0.04214%0.135CC..Hα-helixtrans-57.5-36.4174.9-63.8-77.1000112.7V31 V34 M36 I37 A43 F121 Y261 Y265V31-H39 PolarHBondContact O-NE2 3.36Å; V34-H39 VanDerWaalsContact CG2-CE1 3.49Å; V34-H39 WeakPolarHBondContact CG2-CE1 3.38Å; V34-H39 VanDerWaalsContact CG2-NE2 3.26Å; V34-H39 WeakPolarHBondContact CG2-NE2 3.27Å; M36-H39 PolarHBondContact O-N 3.14Å; I37-H39 VanDerWaalsContact C-N 3.31Å; I37-H39 PolarHBondContact O-N 2.96Å; H39-A43 WeakPolarHBondContact O-CB 3.49Å; H39-A43 PolarHBondContact O-N 3.31Å; H39-A43 VanDerWaalsContact O-N 3.15Å; H39-F121 HydrophobicContact CB-CE2 4.27Å; H39-Y261 HydrophobicContact CB-CE1 4.18Å; H39-Y261 AromaticContact CD2-CE2 3.82Å; H39-Y261 AromaticContact CE1-CD1 3.76Å; H39-Y261 AromaticContact CE1-CD2 3.76Å; H39-Y261 AromaticContact CE1-CG 3.6Å; H39-Y261 AromaticContact CG-CE1 3.88Å; H39-Y261 AromaticContact CG-CE2 3.9Å; H39-Y261 AromaticContact CG-CZ 3.62Å; H39-Y261 AromaticContact ND1-CD1 3.6Å; H39-Y261 AromaticContact ND1-CE1 3.54Å; H39-Y261 AromaticContact ND1-CG 3.91Å; H39-Y261 AromaticContact ND1-CZ 3.75Å; H39-Y261 AromaticContact NE2-CD2 3.8Å; H39-Y261 AromaticContact NE2-CE2 3.91Å; H39-Y265 AromaticContact CE1-CZ 4Å; H39-Y265 PolarHBondContact CE1-OH 3.43Å
40H98.1Very high96.5Very high1 Ų121.7 Ų21.71%0.00514%0.138CC..Hα-helixtrans-73.7-45.2178.6-63.172.5000111.4I6 M36 I37 Q38 A43 C44 N114 A115 V117 F121I6-H40 HydrophobicContact CD1-CB 3.71Å; I6-H40 HydrophobicContact CG1-CB 4.38Å; M36-H40 PolarHBondContact O-ND1 3.24Å; I37-H40 WeakPolarHBondContact O-CB 3.4Å; I37-H40 PolarHBondContact O-N 3.21Å; I37-H40 VanDerWaalsContact O-N 3.17Å; Q38-H40 PolarHBondContact O-N 3.27Å; H40-A43 PolarHBondContact O-N 3.02Å; H40-C44 WeakPolarHBondContact O-CB 3.46Å; H40-C44 PolarHBondContact O-N 3.11Å; H40-C44 PolarHBondContact O-SG 2.97Å; H40-N114 PolarHBondContact NE2-O 3.15Å; H40-N114 VanDerWaalsContact NE2-O 3.09Å; H40-A115 PolarHBondContact CE1-O 3.49Å; H40-V117 PolarHBondContact CE1-O 2.92Å; H40-V117 PolarHBondContact NE2-O 3.02Å; H40-F121 AromaticContact CD2-CE1 3.53Å; H40-F121 AromaticContact CD2-CZ 3.5Å; H40-F121 AromaticContact CE1-CZ 3.77Å; H40-F121 AromaticContact CG-CZ 3.74Å; H40-F121 AromaticContact ND1-CZ 3.9Å; H40-F121 AromaticContact NE2-CE1 3.78Å; H40-F121 AromaticContact NE2-CZ 3.54Å
41I98.3Very high96.7Very high0 Ų025.2 Ų25.20%015%0.153CC..Hα-helixtrans-62.6-46.3178.8-70.4170000110.1I6 I37 Q38 A43 C44 A45 I53 F68 A72 F76 V80I6-I41 HydrophobicContact CD1-CG1 3.86Å; I37-I41 WeakPolarHBondContact O-CG1 3.5Å; I37-I41 PolarHBondContact O-N 3.3Å; Q38-I41 PolarHBondContact O-N 3.27Å; I41-A43 PolarHBondContact O-N 3.04Å; I41-C44 PolarHBondContact O-N 3.31Å; I41-A45 WeakPolarHBondContact O-CB 3.14Å; I41-A45 PolarHBondContact O-N 3.44Å; I41-I53 HydrophobicContact CB-CD1 4.28Å; I41-I53 HydrophobicContact CG1-CD1 4.3Å; I41-I53 HydrophobicContact CG2-CD1 3.95Å; I41-F68 HydrophobicContact CD1-CE1 3.66Å; I41-F68 HydrophobicContact CD1-CZ 3.91Å; I41-A72 HydrophobicContact CD1-CB 4.22Å; I41-F76 HydrophobicContact CB-CE2 4.47Å; I41-F76 HydrophobicContact CG2-CD2 3.39Å; I41-F76 HydrophobicContact CG2-CE2 3.71Å; I41-F76 HydrophobicContact CG2-CG 4.06Å; I41-V80 HydrophobicContact CD1-CG1 4.07Å; I41-V80 HydrophobicContact CG2-CG2 4.4Å
42E97.2Very high96.8Very high20 Ų2026.3 Ų26.39%0.09316%0.157CC..Hα-helixtrans-59-46177.1178.6157.5-125.400111.7Q38 C44 A45 Q46 F76 H269 R272Q38-E42 WeakPolarHBondContact O-CB 3.44Å; Q38-E42 PolarHBondContact O-N 3.22Å; E42-C44 PolarHBondContact O-N 3.24Å; E42-A45 PolarHBondContact O-N 3.41Å; E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.22Å; E42-F76 HydrophobicContact CB-CE1 3.75Å; E42-F76 HydrophobicContact CB-CZ 3.84Å; E42-F76 HydrophobicContact CG-CE1 3.96Å; E42-F76 HydrophobicContact CG-CZ 4.41Å; E42-H269 IonicContact OE1-CD2 3.7Å; E42-H269 IonicContact OE1-CE1 3.72Å; E42-H269 IonicContact OE1-NE2 2.86Å; E42-H269 PolarHBondContact OE1-NE2 3.03Å; E42-H269 IonicContact OE2-CE1 3.45Å; E42-H269 IonicContact OE2-NE2 3.86Å; E42-R272 VanDerWaalsContact CD-NH2 3.32Å; E42-R272 IonicContact OE1-CZ 3.45Å; E42-R272 IonicContact OE1-NH1 3.32Å; E42-R272 IonicContact OE1-NH2 3.44Å; E42-R272 PolarHBondContact OE1-NH2 3.41Å; E42-R272 IonicContact OE2-CZ 2.72Å; E42-R272 IonicContact OE2-NH1 3.36Å; E42-R272 PolarHBondContact OE2-NH1 3.28Å; E42-R272 IonicContact OE2-NH2 3.3Å; E42-R272 PolarHBondContact OE2-NH2 3.48Å; E42-R272 VanDerWaalsContact OE2-NH2 3.16Å
43A97.5Very high96.8Very high14 Ų1426.3 Ų26.312%0.11616%0.157CC..Hα-helixtrans-61.8-41.317500000112.6H39 H40 I41 Q46 F121 L123H39-A43 WeakPolarHBondContact O-CB 3.49Å; H39-A43 PolarHBondContact O-N 3.31Å; H39-A43 VanDerWaalsContact O-N 3.15Å; H40-A43 PolarHBondContact O-N 3.02Å; I41-A43 PolarHBondContact O-N 3.04Å; A43-Q46 PolarHBondContact O-N 3.22Å; A43-F121 HydrophobicContact CB-CB 3.49Å; A43-F121 VanDerWaalsContact CB-CB 3.49Å; A43-F121 HydrophobicContact CB-CD2 3.72Å; A43-F121 HydrophobicContact CB-CG 3.72Å; A43-L123 HydrophobicContact CB-CD1 4.21Å
44C98.3Very high97Very high0 Ų025.6 Ų25.60%015%0.15CC..Hα-helixtrans-67-39.2177.3-68.30000112.3A4 H40 I41 E42 Q46 V47 M50 I53A4-C44 HydrophobicContact CB-CB 4.17Å; A4-C44 VanDerWaalsContact CB-SG 3.56Å; H40-C44 WeakPolarHBondContact O-CB 3.46Å; H40-C44 PolarHBondContact O-N 3.11Å; H40-C44 PolarHBondContact O-SG 2.97Å; I41-C44 PolarHBondContact O-N 3.31Å; E42-C44 PolarHBondContact O-N 3.24Å; C44-Q46 PolarHBondContact O-N 2.86Å; C44-V47 WeakPolarHBondContact O-CB 2.95Å; C44-V47 PolarHBondContact O-N 3.26Å; C44-M50 HydrophobicContact CB-CE 4.08Å; C44-M50 WeakPolarHBondContact O-CG 3.4Å; C44-I53 HydrophobicContact CB-CD1 3.54Å; C44-I53 HydrophobicContact CB-CG1 4.18Å
45A97.2Very high97Very high36 Ų3625 Ų2530%0.29815%0.147SC..Hα-helixtrans-64.7-26.3179.400000112.8I41 E42 V47 F76 L78I41-A45 WeakPolarHBondContact O-CB 3.14Å; I41-A45 PolarHBondContact O-N 3.44Å; E42-A45 PolarHBondContact O-N 3.41Å; A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 PolarHBondContact O-N 2.98Å; A45-F76 HydrophobicContact CB-CB 4.01Å; A45-F76 HydrophobicContact CB-CD1 4.09Å; A45-F76 HydrophobicContact CB-CG 4.26Å; A45-L78 HydrophobicContact CB-CD2 4.22Å
46Q95.9Very high97Very high128 Ų12823.7 Ų23.760%0.59814%0.138SC*.THydrogen-bonded Turntrans-76.6-11.1174.7-67.6176.63200113.6E42 A43 C44 P48E42-Q46 WeakPolarHBondContact O-CG 3.38Å; E42-Q46 PolarHBondContact O-N 3.22Å; A43-Q46 PolarHBondContact O-N 3.22Å; C44-Q46 PolarHBondContact O-N 2.86Å; Q46-P48 WeakPolarHBondContact O-CD 3.46Å
47V97.4Very high96.9Very high5 Ų523.5 Ų23.53%0.0314%0.137CC..SBendtrans-79.2122.4-179.9-177.50000110.6L2 C44 A45 G49 M50 F111 L123 L127L2-V47 HydrophobicContact CD1-CG1 3.76Å; C44-V47 WeakPolarHBondContact O-CB 2.95Å; C44-V47 PolarHBondContact O-N 3.26Å; A45-V47 VanDerWaalsContact C-N 3.28Å; A45-V47 PolarHBondContact O-N 2.98Å; V47-G49 PolarHBondContact O-N 2.89Å; V47-M50 HydrophobicContact CB-CE 4.14Å; V47-M50 HydrophobicContact CG2-CE 4.49Å; V47-M50 WeakPolarHBondContact O-CB 3.49Å; V47-M50 PolarHBondContact O-N 2.88Å; V47-F111 HydrophobicContact CG1-CE2 4.03Å; V47-F111 HydrophobicContact CG1-CZ 4.43Å; V47-F111 HydrophobicContact CG2-CE2 4.38Å; V47-L123 HydrophobicContact CG2-CB 3.56Å; V47-L123 HydrophobicContact CG2-CD1 3.97Å; V47-L123 HydrophobicContact CG2-CG 4.4Å; V47-L127 HydrophobicContact CG1-CD2 3.84Å
48P93.9Very high96.6Very high86 Ų8626 Ų2656%0.55815%0.148SC*.THydrogen-bonded Turntrans-60.7128179.2-2434.4000112.5L2 Q46L2-P48 WeakPolarHBondContact CD1-O 3.48Å; Q46-P48 WeakPolarHBondContact O-CD 3.46Å
49G94.9Very high96Very high40 Ų4025.9 Ų25.941%0.41215%0.147SC..THydrogen-bonded Turntrans82.710.2179.300000114.7L2 V47L2-G49 PolarHBondContact N-O 2.89Å; V47-G49 PolarHBondContact O-N 2.89Å
50M98.1Very high95.2Very high14 Ų1431.6 Ų31.67%0.06917%0.174CC..EExtended strand (participates in β ladder)trans-59.7132.1164.5-171.559.965.800109.9L2 K3 A4 C44 V47 L78 F111L2-M50 HydrophobicContact CB-CE 4.48Å; K3-M50 VanDerWaalsContact C-SD 3.54Å; A4-M50 HydrophobicContact CB-CE 3.96Å; A4-M50 HydrophobicContact CB-SD 4.02Å; C44-M50 HydrophobicContact CB-CE 4.08Å; C44-M50 WeakPolarHBondContact O-CG 3.4Å; V47-M50 HydrophobicContact CB-CE 4.14Å; V47-M50 HydrophobicContact CG2-CE 4.49Å; V47-M50 WeakPolarHBondContact O-CB 3.49Å; V47-M50 PolarHBondContact O-N 2.88Å; M50-L78 HydrophobicContact CG-CD1 4.08Å; M50-L78 HydrophobicContact CG-CD2 3.67Å; M50-F111 HydrophobicContact CE-CD2 3.86Å; M50-F111 HydrophobicContact CE-CE2 4.21Å
51Q97.4Very high94.1Very high98 Ų9835 Ų3546%0.45820%0.196SC..EExtended strand (participates in β ladder)trans-120.4-28.5-176.8-66.2-63-7300113.4M1 L2 P79M1-Q51 HydrophobicContact CB-CG 4.14Å; M1-Q51 HydrophobicContact CE-CG 4.05Å; M1-Q51 HydrophobicContact CG-CB 4.02Å; M1-Q51 HydrophobicContact CG-CG 3.58Å; M1-Q51 HydrophobicContact SD-CB 4.38Å; M1-Q51 HydrophobicContact SD-CG 4.26Å; L2-Q51 PolarHBondContact O-N 2.79Å; Q51-P79 WeakPolarHBondContact O-CD 3.41Å
52E97.8Very high93.2Very high22 Ų2237.6 Ų37.610%0.10321%0.21CC..EExtended strand (participates in β ladder)trans-160.2142.6-176.4-176.9176.9-136.700110.5K3 A4 L54 P79 R81K3-E52 VanDerWaalsContact CA-O 3.32Å; K3-E52 WeakPolarHBondContact CA-O 3.32Å; K3-E52 HydrophobicContact CD-CB 4.16Å; K3-E52 WeakPolarHBondContact CE-OE2 3.48Å; K3-E52 HydrophobicContact CG-CB 4.33Å; K3-E52 IonicContact NZ-OE2 3.19Å; K3-E52 PolarHBondContact NZ-OE2 3.03Å; A4-E52 PolarHBondContact N-O 2.92Å; E52-L54 HydrophobicContact CG-CD2 3.89Å; E52-L54 HydrophobicContact CG-CG 4.27Å; E52-P79 WeakPolarHBondContact CA-O 3.39Å; E52-P79 HydrophobicContact CG-CB 4.27Å; E52-R81 WeakPolarHBondContact OE1-CD 3.35Å; E52-R81 IonicContact OE1-CZ 2.86Å; E52-R81 IonicContact OE1-NE 2.69Å; E52-R81 IonicContact OE1-NH1 2.7Å; E52-R81 PolarHBondContact OE1-NH1 2.99Å
53I98.6Very high92.5Very high0 Ų043.3 Ų43.30%024%0.236CC..EExtended strand (participates in β ladder)trans-114.2127.4170.8-54.8179.2000108.8A4 I6 I41 C44 L55 L78 P79 V80 R81A4-I53 HydrophobicContact CB-CG1 4.24Å; A4-I53 HydrophobicContact CB-CG2 4.35Å; A4-I53 CarbonylContact O-C 3.57Å; A4-I53 WeakPolarHBondContact O-CA 3.16Å; I6-I53 HydrophobicContact CD1-CG2 3.62Å; I6-I53 HydrophobicContact CG1-CG2 4.04Å; I41-I53 HydrophobicContact CB-CD1 4.28Å; I41-I53 HydrophobicContact CG1-CD1 4.3Å; I41-I53 HydrophobicContact CG2-CD1 3.95Å; C44-I53 HydrophobicContact CB-CD1 3.54Å; C44-I53 HydrophobicContact CB-CG1 4.18Å; I53-L55 HydrophobicContact CG2-CD1 4.07Å; I53-L78 HydrophobicContact CD1-CD2 3.45Å; I53-L78 VanDerWaalsContact CD1-CD2 3.45Å; I53-L78 HydrophobicContact CG1-CD2 3.61Å; I53-L78 HydrophobicContact CG1-CG 4.4Å; I53-P79 PolarHBondContact N-O 3.34Å; I53-V80 HydrophobicContact CB-CG1 4.27Å; I53-V80 HydrophobicContact CB-CG2 4.34Å; I53-V80 HydrophobicContact CG2-CG1 4.37Å; I53-V80 CarbonylContact O-C 3.52Å; I53-V80 VanDerWaalsContact O-CA 3.31Å; I53-V80 WeakPolarHBondContact O-CA 3.37Å; I53-R81 PolarHBondContact O-N 2.99Å
54L98.3Very high92Very high0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-111.3116.6178.1-59.3174.9000109.2A4 V5 I6 E52 R81 L83 I102A4-L54 PolarHBondContact O-N 3.03Å; V5-L54 CarbonylContact C-O 3.57Å; V5-L54 WeakPolarHBondContact CA-O 3.42Å; V5-L54 HydrophobicContact CG2-CB 4.46Å; I6-L54 PolarHBondContact N-O 3.48Å; E52-L54 HydrophobicContact CG-CD2 3.89Å; E52-L54 HydrophobicContact CG-CG 4.27Å; L54-R81 CarbonylContact C-O 3.54Å; L54-R81 WeakPolarHBondContact CA-O 3.13Å; L54-R81 HydrophobicContact CD2-CB 4.03Å; L54-L83 HydrophobicContact CB-CD1 4.25Å; L54-L83 HydrophobicContact CD1-CD1 4.07Å; L54-L83 HydrophobicContact CD2-CD1 4.14Å; L54-L83 HydrophobicContact CD2-CG 4.4Å; L54-L83 HydrophobicContact CG-CD1 4.38Å; L54-I102 HydrophobicContact CD1-CB 4.48Å; L54-I102 HydrophobicContact CD1-CG1 3.81Å
55L97.3Very high91.6Very high0 Ų045.5 Ų45.50%025%0.249CC..EExtended strand (participates in β ladder)trans-85.5128.2168.6-76.767.5000107.9I6 I8 I37 I53 L69 V80 R81 Y82 L83I6-L55 HydrophobicContact CB-CG 4.34Å; I6-L55 HydrophobicContact CD1-CD1 4.48Å; I6-L55 WeakPolarHBondContact O-CA 3.01Å; I8-L55 HydrophobicContact CD1-CB 4.43Å; I8-L55 HydrophobicContact CG2-CB 4.33Å; I8-L55 HydrophobicContact CG2-CD2 4.1Å; I8-L55 HydrophobicContact CG2-CG 4.16Å; I37-L55 HydrophobicContact CD1-CD2 3.92Å; I53-L55 HydrophobicContact CG2-CD1 4.07Å; L55-L69 HydrophobicContact CD1-CD2 4.15Å; L55-L69 HydrophobicContact CD2-CD2 3.77Å; L55-V80 HydrophobicContact CD1-CG1 3.41Å; L55-V80 VanDerWaalsContact CD1-CG1 3.41Å; L55-R81 PolarHBondContact N-O 3.19Å; L55-Y82 HydrophobicContact CB-CD2 4.03Å; L55-Y82 WeakPolarHBondContact O-CD2 3.37Å; L55-L83 PolarHBondContact O-N 3.37Å
56I96.2Very high91.3Very high2 Ų246.7 Ų46.71%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-120.8128.3177.9-57.4-178000109.5V5 I6 L7 I8 L83 E85 L95 F98 I102V5-I56 HydrophobicContact CG1-CB 4.38Å; V5-I56 HydrophobicContact CG1-CD1 3.39Å; V5-I56 HydrophobicContact CG1-CG1 3.74Å; I6-I56 PolarHBondContact O-N 2.82Å; L7-I56 HydrophobicContact CD2-CB 4.2Å; I8-I56 WeakPolarHBondContact CG1-O 3.48Å; I8-I56 PolarHBondContact N-O 3.35Å; I56-L83 WeakPolarHBondContact CA-O 3.43Å; I56-L83 HydrophobicContact CG1-CB 4.24Å; I56-L83 HydrophobicContact CG1-CD1 4.41Å; I56-E85 HydrophobicContact CG2-CG 3.81Å; I56-L95 HydrophobicContact CD1-CD2 4.38Å; I56-F98 HydrophobicContact CD1-CB 4.3Å; I56-F98 HydrophobicContact CD1-CD2 4.07Å; I56-F98 HydrophobicContact CG1-CD2 4.33Å; I56-F98 HydrophobicContact CG2-CD2 3.97Å; I56-F98 HydrophobicContact CG2-CE2 4.11Å; I56-I102 HydrophobicContact CD1-CD1 4.16Å
57G92.5Very high91.2Very high0 Ų045.6 Ų45.60%025%0.248CC..EExtended strand (participates in β ladder)trans177.9-170.7175.500000113.5G9 Y82 L83 Q84 E85G9-G57 CarbonylContact O-C 3.5Å; G9-G57 WeakPolarHBondContact O-CA 3.27Å; G57-Y82 PolarHBondContact O-OH 3.48Å; G57-Y82 VanDerWaalsContact O-OH 3.05Å; G57-L83 PolarHBondContact N-O 2.97Å; G57-Q84 CarbonylContact O-C 3.59Å; G57-Q84 WeakPolarHBondContact O-CA 3.41Å; G57-E85 PolarHBondContact O-N 3.41Å
58F89.1Confident91Very high51 Ų5146.6 Ų46.622%0.22425%0.252CS..  trans-12044.8-171.6-174.5-121.7000111.9G9 P11 E85G9-F58 PolarHBondContact O-N 3.43Å; P11-F58 WeakPolarHBondContact CD-O 3.31Å; F58-E85 HydrophobicContact CB-CB 4.44Å; F58-E85 VanDerWaalsContact CD2-O 3.23Å; F58-E85 WeakPolarHBondContact CD2-O 3.35Å
59Y85.1Confident91.1Very high18 Ų1843.2 Ų43.27%0.07123%0.229CC..  trans-92.4143.4167.4-68.7-89.2000110.2I8 G9 P11 P25 P27 Y82 Q84I8-Y59 HydrophobicContact CB-CE2 4.48Å; I8-Y59 HydrophobicContact CD1-CD2 3.78Å; I8-Y59 HydrophobicContact CD1-CE2 4.28Å; I8-Y59 HydrophobicContact CG1-CD2 4.09Å; I8-Y59 HydrophobicContact CG1-CE2 4.24Å; I8-Y59 WeakPolarHBondContact O-CE2 3.38Å; G9-Y59 WeakPolarHBondContact O-CD2 3.42Å; G9-Y59 WeakPolarHBondContact O-CE2 3.4Å; P11-Y59 HydrophobicContact CB-CE1 4.48Å; P11-Y59 HydrophobicContact CG-CD1 3.96Å; P11-Y59 HydrophobicContact CG-CE1 4.04Å; P25-Y59 HydrophobicContact CB-CD1 3.88Å; P25-Y59 HydrophobicContact CB-CE1 3.75Å; P25-Y59 HydrophobicContact CG-CD1 4.24Å; P27-Y59 WeakPolarHBondContact CD-OH 3.48Å; P27-Y59 HydrophobicContact CG-CE2 3.94Å; Y59-Y82 WeakPolarHBondContact CA-OH 3.39Å; Y59-Y82 PolarHBondContact N-OH 3.07Å; Y59-Y82 PolarHBondContact O-OH 2.92Å; Y59-Q84 PolarHBondContact O-NE2 2.8Å
60Q81.1Confident91.1Very high129 Ų12946.4 Ų46.460%0.60323%0.233SC*.  trans-67.2131.6164.8-65.9-58.6-32.900107.6D62Q60-D62 PolarHBondContact O-N 3.37Å
61P73.6Confident90.9Very high73 Ų7348 Ų4847%0.47425%0.249SC..  trans-55.3113.9171.3-22.432000108.7Y82 Q84P61-Y82 HydrophobicContact CG-CD1 4.4Å; P61-Y82 HydrophobicContact CG-CE1 4.13Å; P61-Q84 VanDerWaalsContact CD-OE1 3.27Å
62D80.2Confident90.9Very high53 Ų5343.5 Ų43.528%0.28323%0.228SC..  trans-114.1166.617564.38.2000109.7Q60 L65 T66Q60-D62 PolarHBondContact O-N 3.37Å; D62-L65 PolarHBondContact O-N 2.94Å; D62-L65 WeakPolarHBondContact OD1-CB 3.32Å; D62-L65 PolarHBondContact OD1-N 3.42Å; D62-T66 WeakPolarHBondContact O-CB 3.38Å; D62-T66 PolarHBondContact O-N 3.48Å; D62-T66 VanDerWaalsContact O-N 3.09Å; D62-T66 PolarHBondContact O-OG1 3.19Å
63E82.9Confident90.8Very high140 Ų14046 Ų4665%0.65424%0.24SC*.Hα-helixtrans-58.2-44.1178.9179.2179.2-169.200112.1L65 T66 Q67E63-L65 PolarHBondContact O-N 2.78Å; E63-T66 PolarHBondContact O-N 3.15Å; E63-Q67 HydrophobicContact CG-CG 4.21Å; E63-Q67 WeakPolarHBondContact O-CB 3.38Å; E63-Q67 VanDerWaalsContact O-CG 3.3Å; E63-Q67 WeakPolarHBondContact O-CG 3.46Å; E63-Q67 PolarHBondContact O-N 3.25Å; E63-Q67 PolarHBondContact OE1-NE2 3.39Å
64P87.4Confident90.6Very high56 Ų5653.7 Ų53.736%0.36428%0.276SS..Hα-helixtrans-58.7-46.5177.2-27.135.4000114.9L28 F68L28-P64 HydrophobicContact CD1-CB 3.95Å; P64-F68 WeakPolarHBondContact O-CB 3.36Å; P64-F68 PolarHBondContact O-N 2.97Å
65L89.3Confident90.5Very high4 Ų458.9 Ų58.92%0.02130%0.3CS..Hα-helixtrans-66.8-41.5179.1-177.661.3000110.9L28 I37 D62 E63 F68 L69 Y82L28-L65 HydrophobicContact CD1-CB 4.26Å; L28-L65 HydrophobicContact CD1-CD1 4.46Å; L28-L65 HydrophobicContact CD2-CD1 4.29Å; I37-L65 HydrophobicContact CD1-CD1 4.42Å; D62-L65 PolarHBondContact O-N 2.94Å; D62-L65 WeakPolarHBondContact OD1-CB 3.32Å; D62-L65 PolarHBondContact OD1-N 3.42Å; E63-L65 PolarHBondContact O-N 2.78Å; L65-F68 PolarHBondContact O-N 3.2Å; L65-L69 HydrophobicContact CD1-CD1 4.33Å; L65-L69 HydrophobicContact CD1-CG 4.37Å; L65-L69 HydrophobicContact CG-CD1 4.09Å; L65-L69 VanDerWaalsContact O-CG 3.22Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 2.83Å; L65-Y82 HydrophobicContact CD2-CD1 4.1Å; L65-Y82 HydrophobicContact CD2-CE1 4.19Å; L65-Y82 HydrophobicContact CD2-CG 4.29Å
66T91.2Very high90.4Very high62 Ų6260.7 Ų60.738%0.3831%0.308SS..Hα-helixtrans-62.5-49.8179.2-53.90000111.2D62 E63 F68 L69 E70D62-T66 WeakPolarHBondContact O-CB 3.38Å; D62-T66 PolarHBondContact O-N 3.48Å; D62-T66 VanDerWaalsContact O-N 3.09Å; D62-T66 PolarHBondContact O-OG1 3.19Å; E63-T66 PolarHBondContact O-N 3.15Å; T66-F68 VanDerWaalsContact C-N 3.31Å; T66-F68 PolarHBondContact O-N 3.44Å; T66-L69 PolarHBondContact O-N 2.93Å; T66-E70 WeakPolarHBondContact O-CG 3.4Å; T66-E70 PolarHBondContact O-N 3.14Å
67Q92.4Very high90.4Very high105 Ų10567.8 Ų67.849%0.49135%0.346SS..Hα-helixtrans-60.4-40.6177.2-73.7177-200112.3E63 A71E63-Q67 HydrophobicContact CG-CG 4.21Å; E63-Q67 WeakPolarHBondContact O-CB 3.38Å; E63-Q67 VanDerWaalsContact O-CG 3.3Å; E63-Q67 WeakPolarHBondContact O-CG 3.46Å; E63-Q67 PolarHBondContact O-N 3.25Å; E63-Q67 PolarHBondContact OE1-NE2 3.39Å; Q67-A71 WeakPolarHBondContact O-CB 3.36Å; Q67-A71 PolarHBondContact O-N 3.02Å
68F94.3Very high90.6Very high26 Ų2668.6 Ų68.611%0.11435%0.35CS..Hα-helixtrans-61.4-44.9176171.6-94.3000111.6L28 P35 I37 Q38 I41 P64 L65 T66 A71 A72L28-F68 HydrophobicContact CD2-CB 3.89Å; L28-F68 HydrophobicContact CD2-CD1 3.83Å; L28-F68 HydrophobicContact CD2-CD2 4.13Å; L28-F68 HydrophobicContact CD2-CE1 4.49Å; L28-F68 HydrophobicContact CD2-CG 3.63Å; P35-F68 HydrophobicContact CB-CD2 4.2Å; P35-F68 HydrophobicContact CB-CE2 3.78Å; P35-F68 HydrophobicContact CB-CZ 4.38Å; P35-F68 HydrophobicContact CG-CD2 3.84Å; P35-F68 HydrophobicContact CG-CE2 3.71Å; I37-F68 HydrophobicContact CD1-CD1 3.63Å; I37-F68 HydrophobicContact CD1-CE1 3.25Å; I37-F68 HydrophobicContact CD1-CZ 3.97Å; I37-F68 HydrophobicContact CG1-CD1 4.23Å; I37-F68 HydrophobicContact CG1-CE1 3.48Å; I37-F68 VanDerWaalsContact CG1-CE1 3.48Å; I37-F68 HydrophobicContact CG1-CZ 3.65Å; Q38-F68 HydrophobicContact CB-CE2 4.08Å; Q38-F68 HydrophobicContact CB-CZ 4.05Å; I41-F68 HydrophobicContact CD1-CE1 3.66Å; I41-F68 HydrophobicContact CD1-CZ 3.91Å; P64-F68 WeakPolarHBondContact O-CB 3.36Å; P64-F68 PolarHBondContact O-N 2.97Å; L65-F68 PolarHBondContact O-N 3.2Å; T66-F68 VanDerWaalsContact C-N 3.31Å; T66-F68 PolarHBondContact O-N 3.44Å; F68-A71 PolarHBondContact O-N 3.47Å; F68-A72 HydrophobicContact CE1-CB 4.26Å; F68-A72 HydrophobicContact CZ-CB 4.25Å; F68-A72 VanDerWaalsContact O-CB 3.31Å; F68-A72 WeakPolarHBondContact O-CB 3.36Å; F68-A72 PolarHBondContact O-N 3.46Å
69L94.6Very high90.9Very high15 Ų1569 Ų698%0.07936%0.358CS..Hα-helixtrans-64.8-44.4-179.2-67169.7000111.5L55 L65 T66 A71 A72 Q73 V80L55-L69 HydrophobicContact CD1-CD2 4.15Å; L55-L69 HydrophobicContact CD2-CD2 3.77Å; L65-L69 HydrophobicContact CD1-CD1 4.33Å; L65-L69 HydrophobicContact CD1-CG 4.37Å; L65-L69 HydrophobicContact CG-CD1 4.09Å; L65-L69 VanDerWaalsContact O-CG 3.22Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 2.83Å; T66-L69 PolarHBondContact O-N 2.93Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.27Å; L69-A72 PolarHBondContact O-N 2.9Å; L69-Q73 VanDerWaalsContact O-CG 3.27Å; L69-Q73 WeakPolarHBondContact O-CG 3.46Å; L69-Q73 PolarHBondContact O-N 3.01Å; L69-V80 HydrophobicContact CD2-CB 4.41Å; L69-V80 HydrophobicContact CD2-CG1 3.58Å
70E94.8Very high91.5Very high106 Ų10668.2 Ų68.250%0.49536%0.355SS..Hα-helixtrans-59.1-45.4175.8-70.6175.6175.700111.8T66 Q73 Q74T66-E70 WeakPolarHBondContact O-CG 3.4Å; T66-E70 PolarHBondContact O-N 3.14Å; E70-Q73 PolarHBondContact O-N 2.95Å; E70-Q74 WeakPolarHBondContact O-CG 3.39Å; E70-Q74 PolarHBondContact O-N 3.2Å
71A95.5Very high92.2Very high49 Ų4967.4 Ų67.441%0.40535%0.347SS..Hα-helixtrans-63.7-45176.600000111.9Q67 F68 L69 Q73 Q74 E75Q67-A71 WeakPolarHBondContact O-CB 3.36Å; Q67-A71 PolarHBondContact O-N 3.02Å; F68-A71 PolarHBondContact O-N 3.47Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-A71 PolarHBondContact O-N 3.27Å; A71-Q73 VanDerWaalsContact C-N 3.34Å; A71-Q73 PolarHBondContact O-N 3.02Å; A71-Q74 PolarHBondContact O-N 3.4Å; A71-E75 WeakPolarHBondContact O-CB 3.46Å; A71-E75 PolarHBondContact O-N 3.36Å
72A95.9Very high93.3Very high3 Ų365.8 Ų65.83%0.02533%0.331CS..Hα-helixtrans-63.1-39.9178.700000111.9I41 F68 L69 Q74 E75 F76I41-A72 HydrophobicContact CD1-CB 4.22Å; F68-A72 HydrophobicContact CE1-CB 4.26Å; F68-A72 HydrophobicContact CZ-CB 4.25Å; F68-A72 VanDerWaalsContact O-CB 3.31Å; F68-A72 WeakPolarHBondContact O-CB 3.36Å; F68-A72 PolarHBondContact O-N 3.46Å; L69-A72 PolarHBondContact O-N 2.9Å; A72-Q74 VanDerWaalsContact C-N 3.3Å; A72-Q74 PolarHBondContact O-N 3.39Å; A72-E75 PolarHBondContact O-N 3.33Å; A72-F76 HydrophobicContact CB-CD2 4.23Å; A72-F76 HydrophobicContact CB-CE2 4.42Å; A72-F76 WeakPolarHBondContact O-CD2 3.45Å; A72-F76 PolarHBondContact O-N 3.34Å
73Q96.1Very high94Very high75 Ų7564 Ų6435%0.3532%0.322SS..Hα-helixtrans-60.5-40.9175.7-74-175-91.500112.2L69 E70 A71 N77 L78 V80L69-Q73 VanDerWaalsContact O-CG 3.27Å; L69-Q73 WeakPolarHBondContact O-CG 3.46Å; L69-Q73 PolarHBondContact O-N 3.01Å; E70-Q73 PolarHBondContact O-N 2.95Å; A71-Q73 VanDerWaalsContact C-N 3.34Å; A71-Q73 PolarHBondContact O-N 3.02Å; Q73-N77 VanDerWaalsContact O-CA 3.27Å; Q73-N77 WeakPolarHBondContact O-CA 3.48Å; Q73-N77 PolarHBondContact O-N 3.39Å; Q73-L78 WeakPolarHBondContact CA-O 3.36Å; Q73-L78 PolarHBondContact O-N 3.02Å; Q73-V80 HydrophobicContact CG-CB 3.78Å; Q73-V80 HydrophobicContact CG-CG2 4Å; Q73-V80 PolarHBondContact OE1-O 3.27Å
74Q95.7Very high94.5Very high161 Ų16160.7 Ų60.775%0.75231%0.306SS*.Hα-helixtrans-71.4-44.8178-68.2175.39.600111.8E70 A71 A72E70-Q74 WeakPolarHBondContact O-CG 3.39Å; E70-Q74 PolarHBondContact O-N 3.2Å; A71-Q74 PolarHBondContact O-N 3.4Å; A72-Q74 VanDerWaalsContact C-N 3.3Å; A72-Q74 PolarHBondContact O-N 3.39Å
75E95.4Very high94.7Very high109 Ų10958.6 Ų58.651%0.50929%0.291SS..Hα-helixtrans-63.8-45.1-178.1-175.2176.7171.300111.9Q38 A71 A72Q38-E75 PolarHBondContact NE2-OE1 3.47Å; Q38-E75 PolarHBondContact NE2-OE2 3.07Å; A71-E75 WeakPolarHBondContact O-CB 3.46Å; A71-E75 PolarHBondContact O-N 3.36Å; A72-E75 PolarHBondContact O-N 3.33Å
76F95.5Very high94.6Very high37 Ų3764.3 Ų64.316%0.16232%0.316CS..Hα-helixtrans-97.3-1.7-175.4-59.5-68.2000114Q38 I41 E42 A45 A72 L78Q38-F76 HydrophobicContact CG-CE2 4.16Å; Q38-F76 HydrophobicContact CG-CZ 4.01Å; I41-F76 HydrophobicContact CB-CE2 4.47Å; I41-F76 HydrophobicContact CG2-CD2 3.39Å; I41-F76 HydrophobicContact CG2-CE2 3.71Å; I41-F76 HydrophobicContact CG2-CG 4.06Å; E42-F76 HydrophobicContact CB-CE1 3.75Å; E42-F76 HydrophobicContact CB-CZ 3.84Å; E42-F76 HydrophobicContact CG-CE1 3.96Å; E42-F76 HydrophobicContact CG-CZ 4.41Å; A45-F76 HydrophobicContact CB-CB 4.01Å; A45-F76 HydrophobicContact CB-CD1 4.09Å; A45-F76 HydrophobicContact CB-CG 4.26Å; A72-F76 HydrophobicContact CB-CD2 4.23Å; A72-F76 HydrophobicContact CB-CE2 4.42Å; A72-F76 WeakPolarHBondContact O-CD2 3.45Å; A72-F76 PolarHBondContact O-N 3.34Å; F76-L78 HydrophobicContact CB-CB 4.45Å; F76-L78 PolarHBondContact O-N 3.38Å
77N95.5Very high94.4Very high152 Ų15261.9 Ų61.981%0.81330%0.302SS*.THydrogen-bonded Turntrans48.144.1-176.5-17141.1000112.9Q73Q73-N77 VanDerWaalsContact O-CA 3.27Å; Q73-N77 WeakPolarHBondContact O-CA 3.48Å; Q73-N77 PolarHBondContact O-N 3.39Å
78L96.3Very high94Very high16 Ų1659.9 Ų59.98%0.08430%0.299CS..SBendtrans-140.1133.7-173.8-173.967.9000109.8A45 M50 I53 Q73 F76 V80A45-L78 HydrophobicContact CB-CD2 4.22Å; M50-L78 HydrophobicContact CG-CD1 4.08Å; M50-L78 HydrophobicContact CG-CD2 3.67Å; I53-L78 HydrophobicContact CD1-CD2 3.45Å; I53-L78 VanDerWaalsContact CD1-CD2 3.45Å; I53-L78 HydrophobicContact CG1-CD2 3.61Å; I53-L78 HydrophobicContact CG1-CG 4.4Å; Q73-L78 WeakPolarHBondContact CA-O 3.36Å; Q73-L78 PolarHBondContact O-N 3.02Å; F76-L78 HydrophobicContact CB-CB 4.45Å; F76-L78 PolarHBondContact O-N 3.38Å; L78-V80 WeakPolarHBondContact O-CG2 3.39Å; L78-V80 PolarHBondContact O-N 2.88Å
79P97Very high93.8Very high59 Ų5959 Ų5938%0.38330%0.295SS..  trans-59.1123.8173.6-25.234.8000111.9Q51 E52 I53Q51-P79 WeakPolarHBondContact O-CD 3.41Å; E52-P79 WeakPolarHBondContact CA-O 3.39Å; E52-P79 HydrophobicContact CG-CB 4.27Å; I53-P79 PolarHBondContact N-O 3.34Å
80V97.3Very high93.5Very high2 Ų259.7 Ų59.71%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-126.8118.3175.8-169.30000107.7I41 I53 L55 L69 Q73 L78I41-V80 HydrophobicContact CD1-CG1 4.07Å; I41-V80 HydrophobicContact CG2-CG2 4.4Å; I53-V80 HydrophobicContact CB-CG1 4.27Å; I53-V80 HydrophobicContact CB-CG2 4.34Å; I53-V80 HydrophobicContact CG2-CG1 4.37Å; I53-V80 CarbonylContact O-C 3.52Å; I53-V80 VanDerWaalsContact O-CA 3.31Å; I53-V80 WeakPolarHBondContact O-CA 3.37Å; L55-V80 HydrophobicContact CD1-CG1 3.41Å; L55-V80 VanDerWaalsContact CD1-CG1 3.41Å; L69-V80 HydrophobicContact CD2-CB 4.41Å; L69-V80 HydrophobicContact CD2-CG1 3.58Å; Q73-V80 HydrophobicContact CG-CB 3.78Å; Q73-V80 HydrophobicContact CG-CG2 4Å; Q73-V80 PolarHBondContact OE1-O 3.27Å; L78-V80 WeakPolarHBondContact O-CG2 3.39Å; L78-V80 PolarHBondContact O-N 2.88Å
81R95.6Very high93.3Very high113 Ų11356.3 Ų56.343%0.42629%0.293SS..EExtended strand (participates in β ladder)trans-126.8144.6-175.5-71.4164.962.1-165.81.4111.1E52 I53 L54 L55E52-R81 WeakPolarHBondContact OE1-CD 3.35Å; E52-R81 IonicContact OE1-CZ 2.86Å; E52-R81 IonicContact OE1-NE 2.69Å; E52-R81 IonicContact OE1-NH1 2.7Å; E52-R81 PolarHBondContact OE1-NH1 2.99Å; I53-R81 PolarHBondContact O-N 2.99Å; L54-R81 CarbonylContact C-O 3.54Å; L54-R81 WeakPolarHBondContact CA-O 3.13Å; L54-R81 HydrophobicContact CD2-CB 4.03Å; L55-R81 PolarHBondContact N-O 3.19Å
82Y95.9Very high93.2Very high39 Ų3954 Ų5415%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-97.3128.2171.6178-130000111I8 L55 G57 Y59 P61 L65 Q84I8-Y82 HydrophobicContact CD1-CD2 4.01Å; I8-Y82 HydrophobicContact CD1-CE2 3.61Å; I8-Y82 HydrophobicContact CG1-CE2 4.35Å; L55-Y82 HydrophobicContact CB-CD2 4.03Å; L55-Y82 WeakPolarHBondContact O-CD2 3.37Å; G57-Y82 PolarHBondContact O-OH 3.48Å; G57-Y82 VanDerWaalsContact O-OH 3.05Å; Y59-Y82 WeakPolarHBondContact CA-OH 3.39Å; Y59-Y82 PolarHBondContact N-OH 3.07Å; Y59-Y82 PolarHBondContact O-OH 2.92Å; P61-Y82 HydrophobicContact CG-CD1 4.4Å; P61-Y82 HydrophobicContact CG-CE1 4.13Å; L65-Y82 HydrophobicContact CD2-CD1 4.1Å; L65-Y82 HydrophobicContact CD2-CE1 4.19Å; L65-Y82 HydrophobicContact CD2-CG 4.29Å; Y82-Q84 HydrophobicContact CE1-CB 3.79Å; Y82-Q84 HydrophobicContact CE1-CG 4.28Å
83L95.4Very high93.1Very high16 Ų1653.9 Ų53.98%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-112.7104.9173.6-55-178000108.3L54 L55 I56 G57 E85 F98 Q101L54-L83 HydrophobicContact CB-CD1 4.25Å; L54-L83 HydrophobicContact CD1-CD1 4.07Å; L54-L83 HydrophobicContact CD2-CD1 4.14Å; L54-L83 HydrophobicContact CD2-CG 4.4Å; L54-L83 HydrophobicContact CG-CD1 4.38Å; L55-L83 PolarHBondContact O-N 3.37Å; I56-L83 WeakPolarHBondContact CA-O 3.43Å; I56-L83 HydrophobicContact CG1-CB 4.24Å; I56-L83 HydrophobicContact CG1-CD1 4.41Å; G57-L83 PolarHBondContact N-O 2.97Å; L83-E85 PolarHBondContact O-N 2.87Å; L83-F98 HydrophobicContact CB-CD1 4.13Å; L83-F98 HydrophobicContact CB-CD2 3.85Å; L83-F98 HydrophobicContact CB-CE1 4.04Å; L83-F98 HydrophobicContact CB-CE2 3.74Å; L83-F98 HydrophobicContact CB-CG 4.04Å; L83-F98 HydrophobicContact CB-CZ 3.84Å; L83-F98 HydrophobicContact CD1-CB 3.76Å; L83-F98 HydrophobicContact CD1-CD1 4.01Å; L83-F98 HydrophobicContact CD1-CD2 4.23Å; L83-F98 HydrophobicContact CD1-CG 3.74Å; L83-F98 HydrophobicContact CG-CG 4.5Å; L83-Q101 HydrophobicContact CD1-CB 4.2Å
84Q94.3Very high93Very high70 Ų7050.4 Ų50.433%0.32726%0.257SS..EExtended strand (participates in β ladder)trans-80119-176.6-177.9-179.95.300111G57 Y59 P61 Y82 F98G57-Q84 CarbonylContact O-C 3.59Å; G57-Q84 WeakPolarHBondContact O-CA 3.41Å; Y59-Q84 PolarHBondContact O-NE2 2.8Å; P61-Q84 VanDerWaalsContact CD-OE1 3.27Å; Y82-Q84 HydrophobicContact CE1-CB 3.79Å; Y82-Q84 HydrophobicContact CE1-CG 4.28Å; Q84-F98 WeakPolarHBondContact O-CZ 3.22Å
85E91.3Very high93Very high11 Ų1142.8 Ų42.85%0.05122%0.221CC..  trans-63.5146169.6-58.2179.4120.100110.3I56 G57 F58 L83 A87 G94 F98I56-E85 HydrophobicContact CG2-CG 3.81Å; G57-E85 PolarHBondContact O-N 3.41Å; F58-E85 HydrophobicContact CB-CB 4.44Å; F58-E85 VanDerWaalsContact CD2-O 3.23Å; F58-E85 WeakPolarHBondContact CD2-O 3.35Å; L83-E85 PolarHBondContact O-N 2.87Å; E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 VanDerWaalsContact CB-O 3.23Å; E85-A87 WeakPolarHBondContact CB-O 3.23Å; E85-G94 WeakPolarHBondContact OE1-CA 3.44Å; E85-G94 PolarHBondContact OE1-N 3.32Å; E85-F98 HydrophobicContact CG-CE2 4.29Å
86F87.3Confident93.1Very high124 Ų12438.8 Ų38.854%0.54420%0.202SC..SBendtrans-79.2-18.2176.163.6-91000112.8L89 H97F86-L89 HydrophobicContact CD1-CD1 4.3Å; F86-L89 HydrophobicContact CE1-CD1 3.69Å; F86-L89 HydrophobicContact CE1-CD2 4.06Å; F86-L89 HydrophobicContact CE1-CG 4.39Å; F86-L89 HydrophobicContact CE2-CD2 4.04Å; F86-L89 HydrophobicContact CZ-CD1 4.11Å; F86-L89 HydrophobicContact CZ-CD2 3.62Å; F86-L89 HydrophobicContact CZ-CG 4.42Å; F86-H97 AromaticContact CD1-CE1 3.91Å; F86-H97 AromaticContact CD1-NE2 3.98Å; F86-H97 AromaticContact CE1-CE1 3.75Å; F86-H97 AromaticContact CE1-ND1 3.81Å
87A86.7Confident93.1Very high11 Ų1140.9 Ų40.99%0.09121%0.212CC..SBendtrans-155.5166.1179.600000108.7E85 L89E85-A87 VanDerWaalsContact C-N 3.3Å; E85-A87 VanDerWaalsContact CB-O 3.23Å; E85-A87 WeakPolarHBondContact CB-O 3.23Å; A87-L89 HydrophobicContact CB-CD2 4.19Å; A87-L89 WeakPolarHBondContact O-CG 3.35Å; A87-L89 PolarHBondContact O-N 3.43Å
88P84.6Confident93.2Very high63 Ų6334.6 Ų34.641%0.40918%0.178SC..  trans-71.792.217529-35.1000111.6G90P88-G90 VanDerWaalsContact C-N 3.27Å; P88-G90 PolarHBondContact O-N 2.84Å
89L88.9Confident93.2Very high7 Ų737.4 Ų37.44%0.03719%0.187CC..  trans-84.416.6-172.1-54.2177.4000114.9F86 A87 G93 H97 T219 I220F86-L89 HydrophobicContact CD1-CD1 4.3Å; F86-L89 HydrophobicContact CE1-CD1 3.69Å; F86-L89 HydrophobicContact CE1-CD2 4.06Å; F86-L89 HydrophobicContact CE1-CG 4.39Å; F86-L89 HydrophobicContact CE2-CD2 4.04Å; F86-L89 HydrophobicContact CZ-CD1 4.11Å; F86-L89 HydrophobicContact CZ-CD2 3.62Å; F86-L89 HydrophobicContact CZ-CG 4.42Å; A87-L89 HydrophobicContact CB-CD2 4.19Å; A87-L89 WeakPolarHBondContact O-CG 3.35Å; A87-L89 PolarHBondContact O-N 3.43Å; L89-G93 WeakPolarHBondContact O-CA 3.31Å; L89-G93 PolarHBondContact O-N 3.19Å; L89-H97 HydrophobicContact CD1-CB 4.04Å; L89-T219 WeakPolarHBondContact O-CA 3.36Å; L89-I220 PolarHBondContact O-N 3.26Å
90G88.2Confident93.2Very high31 Ų3139.4 Ų39.432%0.3220%0.195SC..THydrogen-bonded Turntrans77.7-163.8-17700000113.7P88 I220P88-G90 VanDerWaalsContact C-N 3.27Å; P88-G90 PolarHBondContact O-N 2.84Å; G90-I220 CarbonylContact C-O 3.54Å; G90-I220 WeakPolarHBondContact CA-O 3.27Å
91T91Very high93.3Very high34 Ų3442.6 Ų42.621%0.20921%0.209CC..THydrogen-bonded Turntrans-83.4-18-17649.40000113.4L7 I220 R221 L222 E223L7-T91 VanDerWaalsContact CD1-O 3.23Å; L7-T91 WeakPolarHBondContact CD1-O 3.3Å; T91-I220 PolarHBondContact N-O 3.38Å; T91-R221 WeakPolarHBondContact OG1-CA 3.21Å; T91-L222 WeakPolarHBondContact O-CD1 3.39Å; T91-L222 PolarHBondContact OG1-N 3.3Å; T91-E223 PolarHBondContact OG1-OE2 2.95Å
92G93.4Very high93.4Very high0 Ų037.2 Ų37.20%019%0.189CC..THydrogen-bonded Turntrans-117.3-14179.200000114.9L95 Y96 I220G92-L95 WeakPolarHBondContact O-CB 3.29Å; G92-L95 PolarHBondContact O-N 3.25Å; G92-Y96 PolarHBondContact O-N 3.22Å; G92-Y96 VanDerWaalsContact O-N 3.15Å; G92-I220 PolarHBondContact N-O 3.33Å
93G93.4Very high93.4Very high1 Ų138 Ų381%0.0120%0.196CC..Hα-helixtrans-69.8-41.9-171.500000112.5L89 L95 Y96 H97L89-G93 WeakPolarHBondContact O-CA 3.31Å; L89-G93 PolarHBondContact O-N 3.19Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.44Å; G93-Y96 PolarHBondContact O-N 3.45Å; G93-H97 WeakPolarHBondContact O-CB 3.43Å; G93-H97 PolarHBondContact O-N 3.44Å
94G94.5Very high93.5Very high2 Ų239.6 Ų39.62%0.02121%0.211CC..Hα-helixtrans-59.8-36.6171.900000113.4E85 Y96 H97 F98E85-G94 WeakPolarHBondContact OE1-CA 3.44Å; E85-G94 PolarHBondContact OE1-N 3.32Å; G94-Y96 VanDerWaalsContact C-N 3.35Å; G94-Y96 PolarHBondContact O-N 3.46Å; G94-H97 PolarHBondContact O-N 2.98Å; G94-F98 WeakPolarHBondContact O-CB 3.21Å; G94-F98 WeakPolarHBondContact O-CD2 3.5Å; G94-F98 PolarHBondContact O-N 3.48Å
95L96.6Very high93.5Very high1 Ų138.9 Ų38.91%0.00522%0.222CC..Hα-helixtrans-62.1-43.1174.8-60.3177.8000111.7V5 L7 I56 G92 G93 R99 I102 V112 F186 L194 L222V5-L95 HydrophobicContact CB-CD2 4.14Å; V5-L95 HydrophobicContact CG1-CD2 3.64Å; V5-L95 HydrophobicContact CG2-CD2 4.35Å; L7-L95 HydrophobicContact CD2-CD2 4.08Å; L7-L95 HydrophobicContact CD2-CG 4.39Å; I56-L95 HydrophobicContact CD1-CD2 4.38Å; G92-L95 WeakPolarHBondContact O-CB 3.29Å; G92-L95 PolarHBondContact O-N 3.25Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.44Å; L95-R99 WeakPolarHBondContact O-CA 3.22Å; L95-R99 PolarHBondContact O-N 2.89Å; L95-R99 VanDerWaalsContact O-N 3.17Å; L95-I102 HydrophobicContact CD2-CD1 4.14Å; L95-V112 HydrophobicContact CD1-CG1 4.08Å; L95-V112 HydrophobicContact CD1-CG2 4.22Å; L95-V112 HydrophobicContact CD2-CG1 4.15Å; L95-V112 HydrophobicContact CD2-CG2 4.04Å; L95-F186 HydrophobicContact CD1-CE2 4.01Å; L95-L194 HydrophobicContact CB-CD2 3.78Å; L95-L194 HydrophobicContact CD1-CD2 4.26Å; L95-L222 HydrophobicContact CD1-CD1 3.98Å; L95-L222 HydrophobicContact CD1-CD2 4.29Å
96Y95.9Very high93.8Very high26 Ų2643.6 Ų43.610%0.10226%0.256CS..Hα-helixtrans-73.4-40.1178.3-176.8-107.4000112.2G92 G93 G94 R99 L194 R195 F198 I220G92-Y96 PolarHBondContact O-N 3.22Å; G92-Y96 VanDerWaalsContact O-N 3.15Å; G93-Y96 PolarHBondContact O-N 3.45Å; G94-Y96 VanDerWaalsContact C-N 3.35Å; G94-Y96 PolarHBondContact O-N 3.46Å; Y96-R99 WeakPolarHBondContact O-CB 3.37Å; Y96-R99 VanDerWaalsContact O-CD 3.25Å; Y96-R99 WeakPolarHBondContact O-CD 3.29Å; Y96-R99 VanDerWaalsContact O-CG 3.24Å; Y96-R99 WeakPolarHBondContact O-CG 3.4Å; Y96-R99 PolarHBondContact O-N 3.29Å; Y96-R99 PolarHBondContact O-NH1 2.86Å; Y96-L194 HydrophobicContact CD2-CB 4.17Å; Y96-R195 HydrophobicContact CD2-CB 4.3Å; Y96-R195 HydrophobicContact CE2-CB 3.49Å; Y96-R195 VanDerWaalsContact CE2-CB 3.49Å; Y96-R195 HydrophobicContact CE2-CG 4.03Å; Y96-R195 WeakPolarHBondContact OH-CG 3.37Å; Y96-F198 HydrophobicContact CD1-CB 3.75Å; Y96-F198 HydrophobicContact CD1-CD1 4.11Å; Y96-F198 AromaticContact CD1-CD2 3.49Å; Y96-F198 HydrophobicContact CD1-CD2 3.49Å; Y96-F198 VanDerWaalsContact CD1-CD2 3.49Å; Y96-F198 HydrophobicContact CD1-CE2 4.03Å; Y96-F198 AromaticContact CD1-CG 3.52Å; Y96-F198 HydrophobicContact CD1-CG 3.52Å; Y96-F198 HydrophobicContact CE1-CB 3.69Å; Y96-F198 AromaticContact CE1-CD1 3.42Å; Y96-F198 HydrophobicContact CE1-CD1 3.42Å; Y96-F198 VanDerWaalsContact CE1-CD1 3.42Å; Y96-F198 AromaticContact CE1-CD2 3.7Å; Y96-F198 HydrophobicContact CE1-CD2 3.7Å; Y96-F198 AromaticContact CE1-CE1 3.84Å; Y96-F198 HydrophobicContact CE1-CE1 3.84Å; Y96-F198 HydrophobicContact CE1-CE2 4.1Å; Y96-F198 AromaticContact CE1-CG 3.32Å; Y96-F198 HydrophobicContact CE1-CG 3.32Å; Y96-F198 HydrophobicContact CE1-CZ 4.14Å; Y96-F198 HydrophobicContact CG-CB 4.4Å; Y96-I220 HydrophobicContact CG-CD1 4.35Å
97H95.7Very high94.2Very high80 Ų8037.9 Ų37.937%0.3723%0.232SC..Hα-helixtrans-62.6-46.3179.3-176.870.5000111.5F86 L89 G93 G94F86-H97 AromaticContact CD1-CE1 3.91Å; F86-H97 AromaticContact CD1-NE2 3.98Å; F86-H97 AromaticContact CE1-CE1 3.75Å; F86-H97 AromaticContact CE1-ND1 3.81Å; L89-H97 HydrophobicContact CD1-CB 4.04Å; G93-H97 WeakPolarHBondContact O-CB 3.43Å; G93-H97 PolarHBondContact O-N 3.44Å; G94-H97 PolarHBondContact O-N 2.98Å
98F97.2Very high94.6Very high21 Ų2141.1 Ų41.19%0.09225%0.245CC..THydrogen-bonded Turntrans-94.818.5-179.5-62.7-63000114.4I56 L83 Q84 E85 G94 D100 Q101 I102I56-F98 HydrophobicContact CD1-CB 4.3Å; I56-F98 HydrophobicContact CD1-CD2 4.07Å; I56-F98 HydrophobicContact CG1-CD2 4.33Å; I56-F98 HydrophobicContact CG2-CD2 3.97Å; I56-F98 HydrophobicContact CG2-CE2 4.11Å; L83-F98 HydrophobicContact CB-CD1 4.13Å; L83-F98 HydrophobicContact CB-CD2 3.85Å; L83-F98 HydrophobicContact CB-CE1 4.04Å; L83-F98 HydrophobicContact CB-CE2 3.74Å; L83-F98 HydrophobicContact CB-CG 4.04Å; L83-F98 HydrophobicContact CB-CZ 3.84Å; L83-F98 HydrophobicContact CD1-CB 3.76Å; L83-F98 HydrophobicContact CD1-CD1 4.01Å; L83-F98 HydrophobicContact CD1-CD2 4.23Å; L83-F98 HydrophobicContact CD1-CG 3.74Å; L83-F98 HydrophobicContact CG-CG 4.5Å; Q84-F98 WeakPolarHBondContact O-CZ 3.22Å; E85-F98 HydrophobicContact CG-CE2 4.29Å; G94-F98 WeakPolarHBondContact O-CB 3.21Å; G94-F98 WeakPolarHBondContact O-CD2 3.5Å; G94-F98 PolarHBondContact O-N 3.48Å; F98-D100 PolarHBondContact O-N 3.17Å; F98-D100 VanDerWaalsContact O-N 3.11Å; F98-Q101 VanDerWaalsContact C-OE1 3.28Å; F98-Q101 PolarHBondContact O-N 2.74Å; F98-Q101 PolarHBondContact O-OE1 2.86Å; F98-Q101 VanDerWaalsContact O-OE1 3.07Å; F98-I102 WeakPolarHBondContact O-CG1 3.36Å; F98-I102 PolarHBondContact O-N 2.9Å
99R97.5Very high95.3Very high75 Ų7538.1 Ų38.128%0.28323%0.226SC..Hα-helixtrans-53.5-35.2-176.669.2-170.1177.7-75.2-13.2113.1L95 Y96 I102 L103 L191L95-R99 WeakPolarHBondContact O-CA 3.22Å; L95-R99 PolarHBondContact O-N 2.89Å; L95-R99 VanDerWaalsContact O-N 3.17Å; Y96-R99 WeakPolarHBondContact O-CB 3.37Å; Y96-R99 VanDerWaalsContact O-CD 3.25Å; Y96-R99 WeakPolarHBondContact O-CD 3.29Å; Y96-R99 VanDerWaalsContact O-CG 3.24Å; Y96-R99 WeakPolarHBondContact O-CG 3.4Å; Y96-R99 PolarHBondContact O-N 3.29Å; Y96-R99 PolarHBondContact O-NH1 2.86Å; R99-I102 PolarHBondContact O-N 2.96Å; R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 WeakPolarHBondContact O-CG 3.32Å; R99-L103 PolarHBondContact O-N 2.92Å; R99-L191 HydrophobicContact CB-CD1 4.04Å; R99-L191 HydrophobicContact CB-CD2 4.03Å
100D97.4Very high95.7Very high101 Ų10137.8 Ų37.854%0.5422%0.224SC..Hα-helixtrans-70.7-38.3-177.8-60.6-31.3000110.9F98 A104F98-D100 PolarHBondContact O-N 3.17Å; F98-D100 VanDerWaalsContact O-N 3.11Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 2.83Å
101Q97.8Very high96.2Very high68 Ų6836.3 Ų36.332%0.31821%0.209SC..Hα-helixtrans-70.2-38.7172.8-62.7865.500111.7K3 L83 F98 L103 A104K3-Q101 PolarHBondContact NZ-O 2.88Å; L83-Q101 HydrophobicContact CD1-CB 4.2Å; F98-Q101 VanDerWaalsContact C-OE1 3.28Å; F98-Q101 PolarHBondContact O-N 2.74Å; F98-Q101 PolarHBondContact O-OE1 2.86Å; F98-Q101 VanDerWaalsContact O-OE1 3.07Å; Q101-L103 VanDerWaalsContact C-N 3.34Å; Q101-A104 WeakPolarHBondContact O-CB 3.43Å; Q101-A104 PolarHBondContact O-N 2.79Å
102I97.8Very high96.6Very high0 Ų034.7 Ų34.70%020%0.199CC..Hα-helixtrans-62-43.9176.4-65.5165.7000110.2K3 V5 L54 I56 L95 F98 R99 P107 F110K3-I102 WeakPolarHBondContact CD-O 3.32Å; K3-I102 WeakPolarHBondContact CE-O 3.33Å; V5-I102 HydrophobicContact CG2-CD1 3.95Å; V5-I102 HydrophobicContact CG2-CG1 3.88Å; V5-I102 HydrophobicContact CG2-CG2 4.33Å; L54-I102 HydrophobicContact CD1-CB 4.48Å; L54-I102 HydrophobicContact CD1-CG1 3.81Å; I56-I102 HydrophobicContact CD1-CD1 4.16Å; L95-I102 HydrophobicContact CD2-CD1 4.14Å; F98-I102 WeakPolarHBondContact O-CG1 3.36Å; F98-I102 PolarHBondContact O-N 2.9Å; R99-I102 PolarHBondContact O-N 2.96Å; I102-P107 WeakPolarHBondContact O-CG 3.49Å; I102-F110 HydrophobicContact CG2-CB 4.32Å; I102-F110 HydrophobicContact CG2-CD1 3.93Å; I102-F110 HydrophobicContact CG2-CD2 3.77Å; I102-F110 HydrophobicContact CG2-CE1 4.17Å; I102-F110 HydrophobicContact CG2-CE2 3.99Å; I102-F110 HydrophobicContact CG2-CG 3.74Å; I102-F110 HydrophobicContact CG2-CZ 4.19Å
103L97.5Very high96.9Very high57 Ų5734.7 Ų34.730%0.29820%0.199SC..Hα-helixtrans-84.9-5.6-179.4-65.7-175.7000114.7R99 Q101 G105 S106 P107 P188 L191R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 WeakPolarHBondContact O-CG 3.32Å; R99-L103 PolarHBondContact O-N 2.92Å; Q101-L103 VanDerWaalsContact C-N 3.34Å; L103-G105 PolarHBondContact O-N 3.45Å; L103-S106 PolarHBondContact O-N 3.39Å; L103-P107 HydrophobicContact CD2-CG 4.32Å; L103-P107 VanDerWaalsContact O-CD 3.22Å; L103-P107 WeakPolarHBondContact O-CD 3.38Å; L103-P188 HydrophobicContact CD2-CB 3.85Å; L103-P188 HydrophobicContact CD2-CG 4.08Å; L103-L191 HydrophobicContact CD1-CD1 3.48Å; L103-L191 VanDerWaalsContact CD1-CD1 3.48Å; L103-L191 HydrophobicContact CD2-CD1 3.8Å; L103-L191 HydrophobicContact CG-CD1 3.59Å
104A97.2Very high97Very high49 Ų4935.8 Ų35.841%0.40520%0.204SC..THydrogen-bonded Turntrans-58.8130.7178.200000111.1K3 D100 Q101 S106K3-A104 WeakPolarHBondContact CE-O 3.22Å; K3-A104 PolarHBondContact NZ-O 3.04Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 2.83Å; Q101-A104 WeakPolarHBondContact O-CB 3.43Å; Q101-A104 PolarHBondContact O-N 2.79Å; A104-S106 VanDerWaalsContact C-N 3.33Å
105G94.7Very high97Very high55 Ų5536 Ų3657%0.56721%0.206SC*.THydrogen-bonded Turntrans83.26.3-173.700000114.5M1 L103M1-G105 VanDerWaalsContact SD-O 3.38Å; L103-G105 PolarHBondContact O-N 3.45Å
106S96.1Very high96.8Very high109 Ų10937.4 Ų37.476%0.76221%0.214SC*.  trans54.861175.3-57.20000113.2L103 A104L103-S106 PolarHBondContact O-N 3.39Å; A104-S106 VanDerWaalsContact C-N 3.33Å
107P96.5Very high96.7Very high5 Ų536.3 Ų36.33%0.03221%0.21CC..  trans-61.9145.8177.429.4-35.5000111.2M1 K3 I102 L103 A109 P188M1-P107 HydrophobicContact CG-CB 4.24Å; M1-P107 CarbonylContact O-C 3.58Å; M1-P107 VanDerWaalsContact O-CA 3.32Å; M1-P107 WeakPolarHBondContact O-CA 3.46Å; K3-P107 HydrophobicContact CG-CB 4.36Å; I102-P107 WeakPolarHBondContact O-CG 3.49Å; L103-P107 HydrophobicContact CD2-CG 4.32Å; L103-P107 VanDerWaalsContact O-CD 3.22Å; L103-P107 WeakPolarHBondContact O-CD 3.38Å; P107-A109 VanDerWaalsContact C-N 3.32Å; P107-P188 WeakPolarHBondContact O-CG 3.4Å
108E95.8Very high96.7Very high78 Ų7832.5 Ų32.536%0.36419%0.192SC..SBendtrans-69.3-36.4175.871.3-178141.600111.1M1 L2 R131 P188M1-E108 PolarHBondContact O-N 2.95Å; L2-E108 HydrophobicContact CD2-CG 3.58Å; L2-E108 HydrophobicContact CG-CG 4.38Å; E108-R131 IonicContact OE1-CZ 2.73Å; E108-R131 IonicContact OE1-NE 3.75Å; E108-R131 IonicContact OE1-NH2 2.82Å; E108-R131 PolarHBondContact OE1-NH2 3.16Å; E108-R131 IonicContact OE2-NE 3.75Å; E108-P188 VanDerWaalsContact O-CD 3.29Å; E108-P188 WeakPolarHBondContact O-CD 3.23Å
109A97.6Very high96.7Very high0 Ų031.6 Ų31.60%019%0.188CC..EExtended strand (participates in β ladder)trans-158.8164.3177.500000109L2 P107 L185 F186L2-A109 HydrophobicContact CD2-CB 4.06Å; L2-A109 WeakPolarHBondContact CD2-O 3.47Å; P107-A109 VanDerWaalsContact C-N 3.32Å; A109-L185 HydrophobicContact CB-CD1 3.69Å; A109-L185 HydrophobicContact CB-CG 4.35Å; A109-F186 CarbonylContact C-O 3.5Å; A109-F186 VanDerWaalsContact CA-O 3.28Å; A109-F186 WeakPolarHBondContact CA-O 3.39Å; A109-F186 WeakPolarHBondContact CB-O 3.33Å
110F98.6Very high96.5Very high0 Ų029.6 Ų29.60%018%0.183CC..EExtended strand (participates in β ladder)trans-138.5138.3173.761.3-83000111.2K3 V5 I102 V112 F186 L191K3-F110 HydrophobicContact CB-CB 4.19Å; K3-F110 CarbonylContact O-C 3.45Å; K3-F110 WeakPolarHBondContact O-CA 3.37Å; V5-F110 HydrophobicContact CG2-CD2 4.23Å; I102-F110 HydrophobicContact CG2-CB 4.32Å; I102-F110 HydrophobicContact CG2-CD1 3.93Å; I102-F110 HydrophobicContact CG2-CD2 3.77Å; I102-F110 HydrophobicContact CG2-CE1 4.17Å; I102-F110 HydrophobicContact CG2-CE2 3.99Å; I102-F110 HydrophobicContact CG2-CG 3.74Å; I102-F110 HydrophobicContact CG2-CZ 4.19Å; F110-V112 HydrophobicContact CD2-CG2 3.73Å; F110-V112 HydrophobicContact CE2-CG2 3.62Å; F110-F186 HydrophobicContact CD1-CB 4.42Å; F110-F186 HydrophobicContact CD2-CB 4.32Å; F110-F186 HydrophobicContact CE1-CB 3.91Å; F110-F186 HydrophobicContact CE2-CB 3.82Å; F110-F186 AromaticContact CE2-CD2 3.74Å; F110-F186 HydrophobicContact CE2-CD2 3.74Å; F110-F186 HydrophobicContact CE2-CG 4.26Å; F110-F186 HydrophobicContact CZ-CB 3.59Å; F110-F186 AromaticContact CZ-CD2 3.96Å; F110-F186 HydrophobicContact CZ-CD2 3.96Å; F110-F186 HydrophobicContact CZ-CG 4.31Å; F110-F186 PolarHBondContact N-O 3.05Å; F110-F186 PolarHBondContact O-N 3.04Å; F110-L191 HydrophobicContact CZ-CD2 4.43Å; F110-L191 HydrophobicContact CZ-CG 4.35Å
111F98.8Very high96.5Very high0 Ų025.5 Ų25.50%016%0.16CC..EExtended strand (participates in β ladder)trans-76.1147.9173.3-68.6-84.5000110.4K3 A4 V5 V47 M50 L113 L123 M126 L127 Y184 L185K3-F111 PolarHBondContact O-N 3.34Å; A4-F111 CarbonylContact C-O 3.56Å; A4-F111 HydrophobicContact CB-CB 4.12Å; V5-F111 PolarHBondContact N-O 3.17Å; V47-F111 HydrophobicContact CG1-CE2 4.03Å; V47-F111 HydrophobicContact CG1-CZ 4.43Å; V47-F111 HydrophobicContact CG2-CE2 4.38Å; M50-F111 HydrophobicContact CE-CD2 3.86Å; M50-F111 HydrophobicContact CE-CE2 4.21Å; F111-L113 HydrophobicContact CB-CD1 3.91Å; F111-L123 HydrophobicContact CD1-CB 4.36Å; F111-L123 HydrophobicContact CD1-CD2 3.8Å; F111-L123 HydrophobicContact CD1-CG 4.45Å; F111-L123 HydrophobicContact CE1-CB 3.71Å; F111-L123 HydrophobicContact CE1-CD2 3.88Å; F111-L123 HydrophobicContact CE1-CG 4.26Å; F111-L123 HydrophobicContact CZ-CB 3.8Å; F111-L123 WeakPolarHBondContact CZ-O 3.49Å; F111-M126 HydrophobicContact CE1-CB 4.44Å; F111-L127 HydrophobicContact CZ-CB 4.21Å; F111-Y184 CarbonylContact C-O 3.59Å; F111-Y184 VanDerWaalsContact CA-O 3.29Å; F111-Y184 WeakPolarHBondContact CA-O 3.45Å; F111-L185 HydrophobicContact CD1-CB 4.11Å; F111-L185 HydrophobicContact CD1-CD1 3.9Å; F111-L185 HydrophobicContact CD2-CD1 4.14Å; F111-L185 HydrophobicContact CE1-CB 4.07Å; F111-L185 HydrophobicContact CE1-CD1 3.84Å; F111-L185 HydrophobicContact CE1-CD2 4.15Å; F111-L185 HydrophobicContact CE1-CG 4.25Å; F111-L185 HydrophobicContact CE2-CD1 4.07Å; F111-L185 HydrophobicContact CG-CD1 4.07Å; F111-L185 HydrophobicContact CZ-CD1 3.93Å; F111-L185 HydrophobicContact CZ-CD2 4.27Å
112V98.8Very high96.5Very high0 Ų023.6 Ų23.60%015%0.154CC..EExtended strand (participates in β ladder)trans-128.6122.5168.7-177.90000108V5 L7 L95 F110 Y184 F186V5-V112 HydrophobicContact CB-CG2 4.34Å; V5-V112 CarbonylContact O-C 3.56Å; V5-V112 VanDerWaalsContact O-CA 3.29Å; V5-V112 WeakPolarHBondContact O-CA 3.47Å; L7-V112 HydrophobicContact CD1-CG1 3.73Å; L7-V112 HydrophobicContact CG-CG1 3.94Å; L95-V112 HydrophobicContact CD1-CG1 4.08Å; L95-V112 HydrophobicContact CD1-CG2 4.22Å; L95-V112 HydrophobicContact CD2-CG1 4.15Å; L95-V112 HydrophobicContact CD2-CG2 4.04Å; F110-V112 HydrophobicContact CD2-CG2 3.73Å; F110-V112 HydrophobicContact CE2-CG2 3.62Å; V112-Y184 HydrophobicContact CB-CD2 3.98Å; V112-Y184 HydrophobicContact CG1-CD2 4.03Å; V112-Y184 PolarHBondContact N-O 3.3Å; V112-Y184 WeakPolarHBondContact O-CD2 3.46Å; V112-Y184 PolarHBondContact O-N 3.22Å; V112-F186 HydrophobicContact CB-CD2 4.38Å; V112-F186 HydrophobicContact CB-CE2 4.09Å; V112-F186 HydrophobicContact CG2-CD2 3.52Å; V112-F186 HydrophobicContact CG2-CE2 3.63Å; V112-F186 HydrophobicContact CG2-CG 4.29Å; V112-F186 HydrophobicContact CG2-CZ 4.46Å
113L98.6Very high96.5Very high0 Ų023.7 Ų23.70%015%0.154CC..EExtended strand (participates in β ladder)trans-128.2132.5-176.1-4998.2000110.9A4 V5 I6 L7 F111 F121 L123 I183A4-L113 HydrophobicContact CB-CD1 4.24Å; V5-L113 PolarHBondContact O-N 3.37Å; I6-L113 CarbonylContact C-O 3.46Å; I6-L113 WeakPolarHBondContact CA-O 3.48Å; I6-L113 HydrophobicContact CG1-CD1 4.14Å; L7-L113 PolarHBondContact N-O 3Å; F111-L113 HydrophobicContact CB-CD1 3.91Å; L113-F121 HydrophobicContact CD2-CD1 3.66Å; L113-F121 HydrophobicContact CD2-CE1 3.84Å; L113-L123 HydrophobicContact CD2-CD1 4.35Å; L113-L123 HydrophobicContact CD2-CD2 4.1Å; L113-I183 HydrophobicContact CD2-CG1 4.44Å; L113-I183 HydrophobicContact CD2-CG2 4.2Å; L113-I183 HydrophobicContact CG-CG2 4.47Å
114N96.8Very high96.5Very high24 Ų2423.7 Ų23.713%0.12816%0.159CC..EExtended strand (participates in β ladder)trans-76.9123.9169.7-72.5-16.3000110H40 D116 V117 G182H40-N114 PolarHBondContact NE2-O 3.15Å; H40-N114 VanDerWaalsContact NE2-O 3.09Å; N114-D116 PolarHBondContact O-N 2.91Å; N114-V117 HydrophobicContact CB-CG2 3.91Å; N114-V117 WeakPolarHBondContact O-CB 3.19Å; N114-V117 WeakPolarHBondContact O-CG2 3.39Å; N114-V117 PolarHBondContact O-N 2.85Å; N114-V117 VanDerWaalsContact O-N 3.14Å; N114-G182 PolarHBondContact N-O 2.77Å
115A94.8Very high96.5Very high6 Ų623.6 Ų23.65%0.0516%0.158CC..THydrogen-bonded Turntrans-65.9-11.9-175.200000115I6 L7 I8 M36 I37 H40 V117I6-A115 HydrophobicContact CG2-CB 3.91Å; L7-A115 VanDerWaalsContact O-CB 3.26Å; L7-A115 WeakPolarHBondContact O-CB 3.44Å; L7-A115 PolarHBondContact O-N 2.81Å; I8-A115 HydrophobicContact CB-CB 4.3Å; I8-A115 HydrophobicContact CG2-CB 3.89Å; M36-A115 WeakPolarHBondContact CE-O 3.42Å; I37-A115 HydrophobicContact CG2-CB 3.96Å; H40-A115 PolarHBondContact CE1-O 3.49Å; A115-V117 VanDerWaalsContact C-N 3.32Å
116D92Very high96.6Very high32 Ų3221 Ų2117%0.17113%0.131CC..THydrogen-bonded Turntrans-95.319.217774-22000113.5K26 M36 N114 Q247 I248K26-D116 IonicContact NZ-OD2 3.66Å; M36-D116 HydrophobicContact CE-CB 4.5Å; N114-D116 PolarHBondContact O-N 2.91Å; D116-Q247 CarbonylContact O-C 3.59Å; D116-Q247 WeakPolarHBondContact O-CA 3.45Å; D116-Q247 WeakPolarHBondContact O-CG 3.43Å; D116-Q247 PolarHBondContact OD2-NE2 3.23Å; D116-I248 PolarHBondContact O-N 3.01Å
117V94.3Very high96.7Very high3 Ų315.9 Ų15.92%0.01810%0.095CC..EExtended strand (participates in β ladder)trans-96.5135174.6175.30000110.6H40 N114 A115 C181 I183H40-V117 PolarHBondContact CE1-O 2.92Å; H40-V117 PolarHBondContact NE2-O 3.02Å; N114-V117 HydrophobicContact CB-CG2 3.91Å; N114-V117 WeakPolarHBondContact O-CB 3.19Å; N114-V117 WeakPolarHBondContact O-CG2 3.39Å; N114-V117 PolarHBondContact O-N 2.85Å; N114-V117 VanDerWaalsContact O-N 3.14Å; A115-V117 VanDerWaalsContact C-N 3.32Å; V117-C181 VanDerWaalsContact CG2-O 3.29Å; V117-C181 WeakPolarHBondContact CG2-O 3.11Å; V117-I183 HydrophobicContact CG1-CD1 3.82Å; V117-I183 HydrophobicContact CG1-CG1 4.23Å
118C96.1Very high96.7Very high0 Ų019.9 Ų19.90%011%0.114CC..EExtended strand (participates in β ladder)trans-103.1114.4164.41720000107.3W245 S246 I248 A257 Y261C118-W245 CarbonylContact O-C 3.52Å; C118-W245 VanDerWaalsContact O-CA 3.27Å; C118-W245 WeakPolarHBondContact O-CA 3Å; C118-S246 WeakPolarHBondContact CB-OG 3.29Å; C118-S246 PolarHBondContact N-O 3.18Å; C118-S246 PolarHBondContact O-N 2.78Å; C118-I248 HydrophobicContact CB-CD1 3.88Å; C118-I248 HydrophobicContact CB-CG1 4.06Å; C118-A257 HydrophobicContact CB-CB 3.76Å; C118-Y261 WeakPolarHBondContact CA-OH 3.47Å; C118-Y261 HydrophobicContact CB-CE2 4.05Å; C118-Y261 WeakPolarHBondContact SG-CE2 3.26Å
119S95.9Very high96.7Very high2 Ų217.3 Ų17.31%0.01411%0.106CC..EExtended strand (participates in β ladder)trans-149165.3-179.4-176.20000111.5F121 I244 Y261S119-F121 VanDerWaalsContact C-N 3.26Å; S119-F121 WeakPolarHBondContact O-CD2 3.23Å; S119-F121 WeakPolarHBondContact O-CE2 3.21Å; S119-F121 PolarHBondContact OG-N 2.8Å; S119-F121 VanDerWaalsContact OG-N 3.08Å; S119-I244 WeakPolarHBondContact CA-O 3.23Å; S119-I244 PolarHBondContact OG-O 3.14Å; S119-Y261 PolarHBondContact N-OH 3.43Å; S119-Y261 WeakPolarHBondContact O-CE1 3.36Å; S119-Y261 PolarHBondContact O-OH 3.43Å
120D93.1Very high96.6Very high32 Ų3217.7 Ų17.717%0.17111%0.108CC..  trans-81.3-5.5163.653.96000114.6G243 I244 R264D120-G243 WeakPolarHBondContact OD2-CA 3.44Å; D120-I244 HydrophobicContact CB-CB 4.5Å; D120-I244 PolarHBondContact N-O 3.49Å; D120-I244 PolarHBondContact OD2-N 2.91Å; D120-I244 VanDerWaalsContact OD2-N 3.08Å; D120-R264 IonicContact OD2-NH1 3.6Å; D120-R264 PolarHBondContact OD2-NH1 3.45Å
121F97.4Very high96.4Very high16 Ų1623 Ų237%0.0713%0.128CC..  trans51.475172.3-58.1-77.2000112.6H39 H40 A43 L113 S119 L123 I183 Y261H39-F121 HydrophobicContact CB-CE2 4.27Å; H40-F121 AromaticContact CD2-CE1 3.53Å; H40-F121 AromaticContact CD2-CZ 3.5Å; H40-F121 AromaticContact CE1-CZ 3.77Å; H40-F121 AromaticContact CG-CZ 3.74Å; H40-F121 AromaticContact ND1-CZ 3.9Å; H40-F121 AromaticContact NE2-CE1 3.78Å; H40-F121 AromaticContact NE2-CZ 3.54Å; A43-F121 HydrophobicContact CB-CB 3.49Å; A43-F121 VanDerWaalsContact CB-CB 3.49Å; A43-F121 HydrophobicContact CB-CD2 3.72Å; A43-F121 HydrophobicContact CB-CG 3.72Å; L113-F121 HydrophobicContact CD2-CD1 3.66Å; L113-F121 HydrophobicContact CD2-CE1 3.84Å; S119-F121 VanDerWaalsContact C-N 3.26Å; S119-F121 WeakPolarHBondContact O-CD2 3.23Å; S119-F121 WeakPolarHBondContact O-CE2 3.21Å; S119-F121 PolarHBondContact OG-N 2.8Å; S119-F121 VanDerWaalsContact OG-N 3.08Å; F121-L123 HydrophobicContact CB-CD1 4.43Å; F121-L123 HydrophobicContact CB-CD2 4.26Å; F121-L123 HydrophobicContact CB-CG 3.99Å; F121-L123 PolarHBondContact O-N 3.09Å; F121-I183 HydrophobicContact CD1-CD1 3.55Å; F121-I183 HydrophobicContact CD1-CG1 4.28Å; F121-I183 HydrophobicContact CE1-CD1 3.73Å; F121-I183 HydrophobicContact CE1-CG1 4.29Å; F121-Y261 WeakPolarHBondContact CE2-OH 3.48Å
122P97.4Very high96.2Very high28 Ų2833.1 Ų33.118%0.18217%0.166CC..  trans-73.746.4179.433.5-37.5000112.6S124 A125 M126 L140P122-S124 VanDerWaalsContact C-N 3.34Å; P122-S124 PolarHBondContact O-N 3.34Å; P122-A125 HydrophobicContact CB-CB 4.35Å; P122-A125 WeakPolarHBondContact O-CB 3.48Å; P122-A125 PolarHBondContact O-N 2.87Å; P122-M126 WeakPolarHBondContact O-CG 3.41Å; P122-M126 PolarHBondContact O-N 2.96Å; P122-L140 HydrophobicContact CG-CD1 3.66Å; P122-L140 HydrophobicContact CG-CD2 4.11Å
123L98.4Very high95.9Very high2 Ų238 Ų381%0.0119%0.189CC..Hα-helixtrans-61.3-40.5-171-55.4-174.3000112A43 V47 F111 L113 F121 A125 M126 L127 I183A43-L123 HydrophobicContact CB-CD1 4.21Å; V47-L123 HydrophobicContact CG2-CB 3.56Å; V47-L123 HydrophobicContact CG2-CD1 3.97Å; V47-L123 HydrophobicContact CG2-CG 4.4Å; F111-L123 HydrophobicContact CD1-CB 4.36Å; F111-L123 HydrophobicContact CD1-CD2 3.8Å; F111-L123 HydrophobicContact CD1-CG 4.45Å; F111-L123 HydrophobicContact CE1-CB 3.71Å; F111-L123 HydrophobicContact CE1-CD2 3.88Å; F111-L123 HydrophobicContact CE1-CG 4.26Å; F111-L123 HydrophobicContact CZ-CB 3.8Å; F111-L123 WeakPolarHBondContact CZ-O 3.49Å; L113-L123 HydrophobicContact CD2-CD1 4.35Å; L113-L123 HydrophobicContact CD2-CD2 4.1Å; F121-L123 HydrophobicContact CB-CD1 4.43Å; F121-L123 HydrophobicContact CB-CD2 4.26Å; F121-L123 HydrophobicContact CB-CG 3.99Å; F121-L123 PolarHBondContact O-N 3.09Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 2.82Å; L123-M126 PolarHBondContact O-N 3.2Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 PolarHBondContact O-N 2.76Å; L123-I183 HydrophobicContact CD2-CG2 3.81Å
124S97.3Very high95.6Very high57 Ų5744.6 Ų44.640%0.39921%0.214SC..Hα-helixtrans-63.2-39.9175.8-590000111.9P122 L127 E128P122-S124 VanDerWaalsContact C-N 3.34Å; P122-S124 PolarHBondContact O-N 3.34Å; S124-L127 PolarHBondContact O-N 3.44Å; S124-E128 WeakPolarHBondContact O-CG 3.39Å; S124-E128 PolarHBondContact O-N 2.79Å
125A97.2Very high95.3Very high46 Ų4644.1 Ų44.138%0.3821%0.21SC..Hα-helixtrans-68.2-40176.800000111.8P122 L123 L127 E128 A129P122-A125 HydrophobicContact CB-CB 4.35Å; P122-A125 WeakPolarHBondContact O-CB 3.48Å; P122-A125 PolarHBondContact O-N 2.87Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 2.82Å; A125-L127 VanDerWaalsContact C-N 3.35Å; A125-E128 PolarHBondContact O-N 3.4Å; A125-A129 PolarHBondContact O-N 3.16Å
126M97.9Very high95.3Very high0 Ų045.2 Ų45.20%022%0.217CC..Hα-helixtrans-61.8-42.1173.3-67.318073.500111.9F111 P122 L123 A129 H130 L138 L140 I183 L185 H239F111-M126 HydrophobicContact CE1-CB 4.44Å; P122-M126 WeakPolarHBondContact O-CG 3.41Å; P122-M126 PolarHBondContact O-N 2.96Å; L123-M126 PolarHBondContact O-N 3.2Å; M126-A129 PolarHBondContact O-N 2.85Å; M126-H130 WeakPolarHBondContact O-CB 3.49Å; M126-H130 PolarHBondContact O-N 3.2Å; M126-L138 HydrophobicContact CB-CD2 4.28Å; M126-L138 HydrophobicContact CE-CG 4.38Å; M126-L138 WeakPolarHBondContact O-CD2 3.48Å; M126-L140 HydrophobicContact CE-CB 4.02Å; M126-L140 HydrophobicContact CG-CD1 4.32Å; M126-L140 HydrophobicContact SD-CB 4.03Å; M126-L140 HydrophobicContact SD-CD1 3.95Å; M126-L140 HydrophobicContact SD-CG 4.44Å; M126-I183 HydrophobicContact SD-CG2 4.03Å; M126-L185 HydrophobicContact CB-CD2 4.47Å; M126-L185 HydrophobicContact CE-CB 4.24Å; M126-H239 HydrophobicContact CG-CB 4.24Å
127L97.8Very high95.6Very high2 Ų243.7 Ų43.71%0.0121%0.209CC..Hα-helixtrans-62.5-44.4177179.163.8000111.9L2 V47 F111 L123 S124 A125 H130 R131 L185L2-L127 HydrophobicContact CD1-CD1 3.93Å; L2-L127 HydrophobicContact CD1-CD2 3.47Å; L2-L127 VanDerWaalsContact CD1-CD2 3.47Å; L2-L127 HydrophobicContact CD1-CG 4.35Å; L2-L127 HydrophobicContact CD2-CD1 3.82Å; V47-L127 HydrophobicContact CG1-CD2 3.84Å; F111-L127 HydrophobicContact CZ-CB 4.21Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 PolarHBondContact O-N 2.76Å; S124-L127 PolarHBondContact O-N 3.44Å; A125-L127 VanDerWaalsContact C-N 3.35Å; L127-H130 PolarHBondContact O-N 2.65Å; L127-R131 HydrophobicContact CD1-CG 4.43Å; L127-R131 WeakPolarHBondContact O-CG 3.32Å; L127-R131 PolarHBondContact O-N 3.49Å; L127-L185 HydrophobicContact CB-CD2 4.39Å; L127-L185 HydrophobicContact CD1-CD2 4.33Å
128E96.6Very high95.8Very high89 Ų8943.8 Ų43.842%0.41621%0.21SC..Hα-helixtrans-64.8-40.3177.1-71-53.7124.400111.9S124 A125 H130 R131 R132S124-E128 WeakPolarHBondContact O-CG 3.39Å; S124-E128 PolarHBondContact O-N 2.79Å; A125-E128 PolarHBondContact O-N 3.4Å; E128-H130 VanDerWaalsContact C-N 3.34Å; E128-H130 PolarHBondContact O-N 2.96Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-NH1 3.69Å; E128-R131 PolarHBondContact OE1-NH1 3.05Å; E128-R132 WeakPolarHBondContact O-CG 3.01Å; E128-R132 PolarHBondContact O-N 3.01Å; E128-R132 VanDerWaalsContact O-N 3.14Å
129A95.4Very high95.9Very high25 Ų2543.8 Ų43.821%0.20721%0.21CC..Hα-helixtrans-59.7-46172.700000111.4A125 M126 R131 R132 Q133 L138A125-A129 PolarHBondContact O-N 3.16Å; M126-A129 PolarHBondContact O-N 2.85Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 2.84Å; A129-R132 PolarHBondContact O-N 3.06Å; A129-Q133 PolarHBondContact O-N 3.38Å; A129-Q133 VanDerWaalsContact O-N 3.15Å; A129-L138 HydrophobicContact CB-CD2 4.36Å
130H95.3Very high96.1Very high8 Ų843.7 Ų43.74%0.03721%0.209CC..Hα-helixtrans-65.3-33.5178.5-175.794.7000113.9M126 L127 E128 Q133 R134 H135 L138 L185 S187M126-H130 WeakPolarHBondContact O-CB 3.49Å; M126-H130 PolarHBondContact O-N 3.2Å; L127-H130 PolarHBondContact O-N 2.65Å; E128-H130 VanDerWaalsContact C-N 3.34Å; E128-H130 PolarHBondContact O-N 2.96Å; H130-Q133 CarbonylContact C-O 3.55Å; H130-Q133 WeakPolarHBondContact CA-O 3.37Å; H130-Q133 CarbonylContact O-C 3.03Å; H130-R134 WeakPolarHBondContact O-CA 3.49Å; H130-R134 PolarHBondContact O-N 2.94Å; H130-H135 PolarHBondContact CE1-O 3.48Å; H130-L138 HydrophobicContact CB-CD2 4.1Å; H130-L185 HydrophobicContact CB-CD2 3.48Å; H130-L185 VanDerWaalsContact CB-CD2 3.48Å; H130-L185 HydrophobicContact CB-CG 4.42Å; H130-S187 PolarHBondContact CE1-OG 2.97Å; H130-S187 PolarHBondContact NE2-OG 2.77Å
131R94.8Very high96.3Very high110 Ų11042.2 Ų42.242%0.41520%0.201SC..Hα-helixtrans-72.2-31.5176-77.4176.6172.4155.9-0112.6E108 L127 E128 A129E108-R131 IonicContact OE1-CZ 2.73Å; E108-R131 IonicContact OE1-NE 3.75Å; E108-R131 IonicContact OE1-NH2 2.82Å; E108-R131 PolarHBondContact OE1-NH2 3.16Å; E108-R131 IonicContact OE2-NE 3.75Å; L127-R131 HydrophobicContact CD1-CG 4.43Å; L127-R131 WeakPolarHBondContact O-CG 3.32Å; L127-R131 PolarHBondContact O-N 3.49Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-NH1 3.69Å; E128-R131 PolarHBondContact OE1-NH1 3.05Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 2.84Å
132R94.4Very high96.3Very high214 Ų21442.1 Ų42.181%0.80820%0.202SC*.Hα-helixtrans-67.4-42.7173.3-69.2171.1-169.4176.23.5111.3E128 A129E128-R132 WeakPolarHBondContact O-CG 3.01Å; E128-R132 PolarHBondContact O-N 3.01Å; E128-R132 VanDerWaalsContact O-N 3.14Å; A129-R132 PolarHBondContact O-N 3.06Å
133Q91.7Very high96.2Very high102 Ų10244.8 Ų44.848%0.47722%0.217SC..SBendtrans-141.3114.5175.9-172.4176.3-12.300109.4A129 H130 H135A129-Q133 PolarHBondContact O-N 3.38Å; A129-Q133 VanDerWaalsContact O-N 3.15Å; H130-Q133 CarbonylContact C-O 3.55Å; H130-Q133 WeakPolarHBondContact CA-O 3.37Å; H130-Q133 CarbonylContact O-C 3.03Å; Q133-H135 WeakPolarHBondContact CG-CE1 3.38Å; Q133-H135 PolarHBondContact NE2-CE1 2.86Å; Q133-H135 PolarHBondContact O-CD2 3.26Å; Q133-H135 PolarHBondContact O-N 3.31Å; Q133-H135 PolarHBondContact O-NE2 2.88Å
134R92.6Very high95.9Very high138 Ų13845.3 Ų45.352%0.52122%0.222SC..  trans-73.3121.3-177.9-170.9173175.9-162.4-6.9109.9H130 S187 E189H130-R134 WeakPolarHBondContact O-CA 3.49Å; H130-R134 PolarHBondContact O-N 2.94Å; R134-S187 WeakPolarHBondContact CG-OG 3.22Å; R134-S187 PolarHBondContact NE-OG 3.45Å; R134-E189 IonicContact CZ-OE1 3.45Å; R134-E189 IonicContact CZ-OE2 3.48Å; R134-E189 IonicContact NE-OE2 3.78Å; R134-E189 IonicContact NH1-OE1 3.78Å; R134-E189 IonicContact NH2-OE1 3.72Å; R134-E189 PolarHBondContact NH2-OE1 3.16Å; R134-E189 IonicContact NH2-OE2 2.8Å; R134-E189 PolarHBondContact NH2-OE2 2.8Å
135H90.1Very high95.6Very high14 Ų1446.6 Ų46.67%0.06522%0.224CC..  trans-116138.5178.6-56.3-65.8000110.1H130 Q133 F137 S187 Y237H130-H135 PolarHBondContact CE1-O 3.48Å; Q133-H135 WeakPolarHBondContact CG-CE1 3.38Å; Q133-H135 PolarHBondContact NE2-CE1 2.86Å; Q133-H135 PolarHBondContact O-CD2 3.26Å; Q133-H135 PolarHBondContact O-N 3.31Å; Q133-H135 PolarHBondContact O-NE2 2.88Å; H135-F137 VanDerWaalsContact C-N 3.33Å; H135-F137 PolarHBondContact O-N 3.13Å; H135-S187 PolarHBondContact O-OG 2.8Å; H135-Y237 HydrophobicContact CB-CD2 3.83Å; H135-Y237 HydrophobicContact CB-CG 4.36Å; H135-Y237 AromaticContact CE1-CD1 3.35Å; H135-Y237 WeakPolarHBondContact CE1-CD1 3.46Å; H135-Y237 AromaticContact CE1-CD2 3.55Å; H135-Y237 AromaticContact CE1-CE1 3.55Å; H135-Y237 AromaticContact CE1-CE2 3.72Å; H135-Y237 AromaticContact CE1-CG 3.35Å; H135-Y237 AromaticContact CE1-CZ 3.72Å; H135-Y237 AromaticContact CG-CD2 3.48Å; H135-Y237 VanDerWaalsContact CG-CD2 3.48Å; H135-Y237 AromaticContact CG-CG 3.69Å; H135-Y237 AromaticContact ND1-CD1 3.71Å; H135-Y237 AromaticContact ND1-CD2 2.95Å; H135-Y237 WeakPolarHBondContact ND1-CD2 3.23Å; H135-Y237 AromaticContact ND1-CE1 3.88Å; H135-Y237 AromaticContact ND1-CE2 3.14Å; H135-Y237 WeakPolarHBondContact ND1-CE2 3.26Å; H135-Y237 AromaticContact ND1-CG 3.25Å; H135-Y237 VanDerWaalsContact ND1-CG 3.25Å; H135-Y237 AromaticContact ND1-CZ 3.61Å; H135-Y237 AromaticContact NE2-CD1 4Å; H135-Y237 AromaticContact NE2-CG 3.89Å
136P96.1Very high95.2Very high30 Ų3052.4 Ų52.420%0.19524%0.237CC..SBendtrans-55.9-49.2170.8-26.134.6000111.5F186 S187 Q235P136-F186 WeakPolarHBondContact O-CA 3.34Å; P136-S187 PolarHBondContact O-N 3.34Å; P136-Q235 WeakPolarHBondContact CD-O 3.38Å; P136-Q235 HydrophobicContact CG-CB 4.4Å
137F98.3Very high94.8Very high0 Ų056.9 Ų56.90%026%0.264CS..EExtended strand (participates in β ladder)trans-124.3120.5176.4-56.7-92000110.3H135 L139 F186 A190 P193 L194 V226 F227 L230 Q235 I236 Y237H135-F137 VanDerWaalsContact C-N 3.33Å; H135-F137 PolarHBondContact O-N 3.13Å; F137-L139 HydrophobicContact CB-CD1 3.94Å; F137-F186 HydrophobicContact CB-CD1 4.36Å; F137-F186 HydrophobicContact CB-CE1 4.3Å; F137-F186 AromaticContact CD1-CD1 3.65Å; F137-F186 HydrophobicContact CD1-CD1 3.65Å; F137-F186 AromaticContact CD1-CE1 3.42Å; F137-F186 HydrophobicContact CD1-CE1 3.42Å; F137-F186 VanDerWaalsContact CD1-CE1 3.42Å; F137-F186 HydrophobicContact CD1-CE2 4.37Å; F137-F186 HydrophobicContact CD1-CG 4.25Å; F137-F186 AromaticContact CD1-CZ 3.84Å; F137-F186 HydrophobicContact CD1-CZ 3.84Å; F137-F186 HydrophobicContact CE1-CD1 4.42Å; F137-F186 HydrophobicContact CE1-CE1 4.23Å; F137-F186 HydrophobicContact CE1-CE2 4.41Å; F137-F186 HydrophobicContact CE1-CZ 4.24Å; F137-F186 HydrophobicContact CG-CD1 4.38Å; F137-F186 HydrophobicContact CG-CE1 4.32Å; F137-A190 HydrophobicContact CD1-CB 4.07Å; F137-A190 HydrophobicContact CE1-CB 3.6Å; F137-A190 HydrophobicContact CE2-CB 4.2Å; F137-A190 HydrophobicContact CZ-CB 3.66Å; F137-A190 WeakPolarHBondContact CZ-O 3.43Å; F137-P193 HydrophobicContact CE2-CG 4.06Å; F137-P193 HydrophobicContact CZ-CB 4.39Å; F137-P193 HydrophobicContact CZ-CG 4.19Å; F137-L194 HydrophobicContact CE1-CD1 4.25Å; F137-L194 HydrophobicContact CZ-CD1 4.23Å; F137-V226 HydrophobicContact CE1-CG1 4.13Å; F137-V226 HydrophobicContact CE2-CG1 4.48Å; F137-V226 HydrophobicContact CZ-CG1 3.84Å; F137-F227 AromaticContact CD1-CE1 3.79Å; F137-F227 HydrophobicContact CD1-CE1 3.79Å; F137-F227 HydrophobicContact CE1-CE1 4.24Å; F137-F227 HydrophobicContact CG-CE1 4.4Å; F137-L230 HydrophobicContact CD2-CD1 4.21Å; F137-L230 HydrophobicContact CE2-CD1 3.56Å; F137-L230 HydrophobicContact CZ-CD1 4.15Å; F137-Q235 PolarHBondContact N-O 2.91Å; F137-I236 HydrophobicContact CB-CB 4.46Å; F137-I236 HydrophobicContact CB-CG1 4.12Å; F137-I236 HydrophobicContact CB-CG2 4.3Å; F137-I236 HydrophobicContact CD2-CG1 4.12Å; F137-I236 HydrophobicContact CG-CG1 4.36Å; F137-Y237 PolarHBondContact O-N 3.23Å
138L98.6Very high94.2Very high5 Ų558.8 Ų58.83%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-113.6114.4166.6-177.464.6000109.1M126 A129 H130 Y184 L185 Y237 H239M126-L138 HydrophobicContact CB-CD2 4.28Å; M126-L138 HydrophobicContact CE-CG 4.38Å; M126-L138 WeakPolarHBondContact O-CD2 3.48Å; A129-L138 HydrophobicContact CB-CD2 4.36Å; H130-L138 HydrophobicContact CB-CD2 4.1Å; L138-Y184 CarbonylContact O-C 3.6Å; L138-Y184 WeakPolarHBondContact O-CA 3.46Å; L138-L185 HydrophobicContact CB-CB 4.33Å; L138-L185 PolarHBondContact N-O 3.21Å; L138-L185 PolarHBondContact O-N 2.81Å; L138-Y237 WeakPolarHBondContact CA-O 3.47Å; L138-H239 HydrophobicContact CD1-CB 4.11Å; L138-H239 HydrophobicContact CD2-CB 4.5Å; L138-H239 HydrophobicContact CG-CB 4.34Å
139L98.6Very high93.9Very high0 Ų054.6 Ų54.60%025%0.253CS..EExtended strand (participates in β ladder)trans-95.3143.4-179.6-7755.7000109.8F137 I155 Y167 Y184 F227 I236 Y237 V238 H239F137-L139 HydrophobicContact CB-CD1 3.94Å; L139-I155 HydrophobicContact CD2-CD1 4.21Å; L139-Y167 HydrophobicContact CD2-CD2 4.48Å; L139-Y167 HydrophobicContact CD2-CE2 4.34Å; L139-Y184 HydrophobicContact CB-CD1 4.21Å; L139-Y184 HydrophobicContact CB-CE1 4.46Å; L139-Y184 HydrophobicContact CD1-CD1 4.19Å; L139-Y184 HydrophobicContact CD2-CE1 4.47Å; L139-Y184 HydrophobicContact CG-CD1 3.68Å; L139-Y184 HydrophobicContact CG-CE1 3.82Å; L139-F227 HydrophobicContact CD1-CE1 4.17Å; L139-F227 HydrophobicContact CD1-CZ 4.14Å; L139-F227 HydrophobicContact CD2-CD2 4.06Å; L139-F227 HydrophobicContact CD2-CE2 4.06Å; L139-F227 HydrophobicContact CD2-CG 4.43Å; L139-F227 HydrophobicContact CD2-CZ 4.41Å; L139-F227 HydrophobicContact CG-CE2 4.36Å; L139-F227 HydrophobicContact CG-CZ 4.34Å; L139-I236 HydrophobicContact CD1-CG2 3.58Å; L139-I236 HydrophobicContact CD2-CG2 4.09Å; L139-I236 HydrophobicContact CG-CG2 4.42Å; L139-Y237 PolarHBondContact N-O 2.93Å; L139-V238 CarbonylContact O-C 3.57Å; L139-V238 VanDerWaalsContact O-CA 3.32Å; L139-V238 WeakPolarHBondContact O-CA 3.34Å; L139-H239 PolarHBondContact O-N 3.33Å
140L98.7Very high93.6Very high0 Ų056.1 Ų56.10%026%0.258CS..EExtended strand (participates in β ladder)trans-82.2128.3163.8-171.370.9000109.4P122 M126 C181 I183 H239 T241P122-L140 HydrophobicContact CG-CD1 3.66Å; P122-L140 HydrophobicContact CG-CD2 4.11Å; M126-L140 HydrophobicContact CE-CB 4.02Å; M126-L140 HydrophobicContact CG-CD1 4.32Å; M126-L140 HydrophobicContact SD-CB 4.03Å; M126-L140 HydrophobicContact SD-CD1 3.95Å; M126-L140 HydrophobicContact SD-CG 4.44Å; L140-C181 HydrophobicContact CB-CB 3.98Å; L140-C181 HydrophobicContact CD2-CB 3.93Å; L140-C181 HydrophobicContact CG-CB 3.98Å; L140-C181 VanDerWaalsContact O-CB 3.28Å; L140-C181 WeakPolarHBondContact O-CB 3.28Å; L140-C181 PolarHBondContact O-N 2.77Å; L140-I183 HydrophobicContact CB-CB 3.98Å; L140-I183 HydrophobicContact CB-CG2 4.37Å; L140-I183 WeakPolarHBondContact CB-O 3.41Å; L140-I183 HydrophobicContact CD2-CB 3.96Å; L140-I183 HydrophobicContact CD2-CD1 3.68Å; L140-I183 HydrophobicContact CD2-CG1 4.39Å; L140-I183 HydrophobicContact CD2-CG2 4.28Å; L140-I183 PolarHBondContact N-O 2.8Å; L140-H239 WeakPolarHBondContact CA-O 3.39Å; L140-T241 HydrophobicContact CD1-CG2 3.74Å; L140-T241 HydrophobicContact CD2-CG2 4.14Å; L140-T241 HydrophobicContact CG-CG2 3.95Å
141G98Very high93.4Very high0 Ų058.9 Ų58.90%027%0.273CS..EExtended strand (participates in β ladder)trans-121.1147.9176.200000111.9I179 H239 L240 T241G141-I179 VanDerWaalsContact CA-O 3.3Å; G141-I179 WeakPolarHBondContact CA-O 3.26Å; G141-H239 PolarHBondContact N-O 2.83Å; G141-L240 CarbonylContact O-C 3.51Å; G141-L240 WeakPolarHBondContact O-CA 3.26Å; G141-T241 PolarHBondContact O-N 3.11Å
142T97.2Very high93.3Very high14 Ų1454.5 Ų54.59%0.08626%0.256CS..EExtended strand (participates in β ladder)trans-138.2164.4171.1-164.90000110.2I178 I179 C181 T241 W245T142-I178 CarbonylContact O-C 3.54Å; T142-I178 WeakPolarHBondContact O-CA 3.35Å; T142-I179 HydrophobicContact CG2-CD1 4.1Å; T142-I179 HydrophobicContact CG2-CG1 3.81Å; T142-I179 PolarHBondContact N-O 3.1Å; T142-I179 VanDerWaalsContact N-O 3.16Å; T142-I179 WeakPolarHBondContact O-CG1 3.21Å; T142-I179 PolarHBondContact O-N 2.72Å; T142-C181 VanDerWaalsContact CG2-SG 3.58Å; T142-C181 PolarHBondContact N-SG 3.28Å; T142-T241 WeakPolarHBondContact CB-O 3.41Å; T142-T241 PolarHBondContact OG1-O 2.79Å; T142-W245 HydrophobicContact CG2-CB 4.26Å; T142-W245 HydrophobicContact CG2-CD2 4.24Å; T142-W245 HydrophobicContact CG2-CE3 4.1Å; T142-W245 HydrophobicContact CG2-CG 4.33Å
143T95.3Very high93.3Very high84 Ų8444.5 Ų44.552%0.51522%0.219SC..EExtended strand (participates in β ladder)trans-87.9135.917957.40000111.1D177T143-D177 CarbonylContact C-O 3.47Å; T143-D177 WeakPolarHBondContact CA-O 3.39Å
144A91.8Very high93.6Very high13 Ų1339.6 Ų39.611%0.10720%0.197CC..  trans-132.2151.9176.600000110.2Q148 D177 I179A144-Q148 HydrophobicContact CB-CB 4.01Å; A144-D177 PolarHBondContact N-O 2.84Å; A144-D177 WeakPolarHBondContact O-CB 3.43Å; A144-I179 HydrophobicContact CB-CD1 3.66Å; A144-I179 HydrophobicContact CB-CG1 3.94Å; A144-I179 HydrophobicContact CB-CG2 3.97Å
145N91Very high93.9Very high84 Ų8433 Ų3345%0.44917%0.172SC..  trans-67.1162.2177.373.947.9000111.6T147 Q148 S149N145-T147 PolarHBondContact O-N 3.15Å; N145-T147 VanDerWaalsContact O-N 3.1Å; N145-T147 PolarHBondContact OD1-N 2.88Å; N145-T147 VanDerWaalsContact OD1-N 3.12Å; N145-Q148 VanDerWaalsContact CG-OE1 3.28Å; N145-Q148 PolarHBondContact ND2-OE1 2.79Å; N145-Q148 WeakPolarHBondContact O-CA 3.44Å; N145-Q148 WeakPolarHBondContact O-CB 3.3Å; N145-Q148 PolarHBondContact O-N 3.41Å; N145-Q148 WeakPolarHBondContact OD1-CB 3.4Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.14Å; N145-Q148 PolarHBondContact OD1-N 2.75Å; N145-S149 PolarHBondContact O-N 2.73Å
146R89.9Confident94.3Very high169 Ų16934.4 Ų34.464%0.63818%0.181SC*.Hα-helixtrans-52.6-35.5-175.4178.8160.7-170.8159.43.9114.9S149 F174R146-S149 PolarHBondContact O-OG 3.22Å; R146-F174 HydrophobicContact CB-CD2 3.99Å; R146-F174 HydrophobicContact CB-CE2 4.18Å; R146-F174 HydrophobicContact CG-CB 3.97Å; R146-F174 HydrophobicContact CG-CD2 3.54Å; R146-F174 HydrophobicContact CG-CE2 4.17Å; R146-F174 HydrophobicContact CG-CG 3.8Å
147T88.1Confident94.4Very high93 Ų9334.4 Ų34.457%0.57118%0.179SC*.Hα-helixtrans-80.8-34.5179.6-52.20000111.2N145 N151N145-T147 PolarHBondContact O-N 3.15Å; N145-T147 VanDerWaalsContact O-N 3.1Å; N145-T147 PolarHBondContact OD1-N 2.88Å; N145-T147 VanDerWaalsContact OD1-N 3.12Å; T147-N151 PolarHBondContact O-ND2 3.23Å
148Q85.9Confident94.3Very high43 Ų4336.2 Ų36.220%0.20119%0.188CC..Hα-helixtrans-68.4-42.6177.4-76.5169.1-20.600112.1A144 N145 L150 N151 Y152 T363A144-Q148 HydrophobicContact CB-CB 4.01Å; N145-Q148 VanDerWaalsContact CG-OE1 3.28Å; N145-Q148 PolarHBondContact ND2-OE1 2.79Å; N145-Q148 WeakPolarHBondContact O-CA 3.44Å; N145-Q148 WeakPolarHBondContact O-CB 3.3Å; N145-Q148 PolarHBondContact O-N 3.41Å; N145-Q148 WeakPolarHBondContact OD1-CB 3.4Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.14Å; N145-Q148 PolarHBondContact OD1-N 2.75Å; Q148-L150 PolarHBondContact O-N 2.92Å; Q148-L150 VanDerWaalsContact O-N 3.15Å; Q148-N151 WeakPolarHBondContact O-CB 3.4Å; Q148-N151 PolarHBondContact O-N 2.77Å; Q148-N151 PolarHBondContact O-ND2 3.25Å; Q148-Y152 VanDerWaalsContact O-CD2 3.26Å; Q148-Y152 WeakPolarHBondContact O-CD2 3.33Å; Q148-T363 HydrophobicContact CB-CG2 4.23Å; Q148-T363 HydrophobicContact CG-CG2 3.56Å
149S89.6Confident94.2Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-60.4-29.9-172.869.60000113.6N145 R146 N151 Y152 C154 S176N145-S149 PolarHBondContact O-N 2.73Å; R146-S149 PolarHBondContact O-OG 3.22Å; S149-N151 PolarHBondContact O-N 3.43Å; S149-Y152 PolarHBondContact O-N 2.91Å; S149-Y152 VanDerWaalsContact O-N 3.09Å; S149-C154 PolarHBondContact O-SG 3.17Å; S149-C154 VanDerWaalsContact O-SG 3.34Å; S149-S176 VanDerWaalsContact CB-O 3.28Å; S149-S176 WeakPolarHBondContact CB-O 3.26Å; S149-S176 PolarHBondContact OG-O 2.87Å; S149-S176 VanDerWaalsContact OG-O 3.05Å
150L90.9Very high94Very high57 Ų5747.9 Ų47.930%0.29825%0.25SS..THydrogen-bonded Turntrans-58.7-19.9175.1-54.4-179.9000114.2Q148 K170 P171 T173Q148-L150 PolarHBondContact O-N 2.92Å; Q148-L150 VanDerWaalsContact O-N 3.15Å; L150-K170 WeakPolarHBondContact O-CA 3.19Å; L150-P171 HydrophobicContact CD2-CG 4.28Å; L150-T173 WeakPolarHBondContact CD2-O 3.44Å
151N89.5Confident93.8Very high66 Ų6650.8 Ų50.835%0.35327%0.268SS..THydrogen-bonded Turntrans-89.8-4.1-178.4-61.6-72.6000113.8T147 Q148 S149 K170T147-N151 PolarHBondContact O-ND2 3.23Å; Q148-N151 WeakPolarHBondContact O-CB 3.4Å; Q148-N151 PolarHBondContact O-N 2.77Å; Q148-N151 PolarHBondContact O-ND2 3.25Å; S149-N151 PolarHBondContact O-N 3.43Å; N151-K170 WeakPolarHBondContact O-CE 3.36Å
152Y93.1Very high93.8Very high19 Ų1954.6 Ų54.68%0.07529%0.286CS..SBendtrans-132.4175-171.4-55.2-71000111.4Q148 S149 C154 K170 I179 W245 Q247Q148-Y152 VanDerWaalsContact O-CD2 3.26Å; Q148-Y152 WeakPolarHBondContact O-CD2 3.33Å; S149-Y152 PolarHBondContact O-N 2.91Å; S149-Y152 VanDerWaalsContact O-N 3.09Å; Y152-C154 PolarHBondContact O-N 3.45Å; Y152-K170 WeakPolarHBondContact O-CA 3.49Å; Y152-K170 PolarHBondContact O-N 3.43Å; Y152-I179 HydrophobicContact CD2-CD1 3.71Å; Y152-I179 HydrophobicContact CD2-CG2 4.42Å; Y152-I179 HydrophobicContact CE2-CD1 4.17Å; Y152-I179 HydrophobicContact CG-CD1 4.07Å; Y152-W245 AromaticContact CD1-CH2 3.75Å; Y152-W245 HydrophobicContact CD1-CH2 3.75Å; Y152-W245 HydrophobicContact CD2-CH2 4.45Å; Y152-W245 AromaticContact CE1-CH2 3.53Å; Y152-W245 HydrophobicContact CE1-CH2 3.53Å; Y152-W245 HydrophobicContact CE1-CZ2 4.5Å; Y152-W245 HydrophobicContact CE1-CZ3 4.22Å; Y152-W245 HydrophobicContact CE2-CH2 4.26Å; Y152-W245 HydrophobicContact CE2-CZ3 4.25Å; Y152-W245 HydrophobicContact CG-CH2 4.22Å; Y152-W245 AromaticContact CZ-CH2 3.79Å; Y152-Q247 HydrophobicContact CE1-CB 4.4Å
153G95.6Very high93.8Very high3 Ų355.5 Ų55.53%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-73.9117169.700000110.6V168 E169 I179 N180G153-V168 CarbonylContact C-O 3.5Å; G153-V168 WeakPolarHBondContact CA-O 3.36Å; G153-E169 WeakPolarHBondContact CA-OE2 3.47Å; G153-I179 CarbonylContact O-C 3.6Å; G153-I179 VanDerWaalsContact O-CA 3.31Å; G153-I179 WeakPolarHBondContact O-CA 3.29Å; G153-N180 PolarHBondContact O-N 3.26Å
154C97.6Very high94Very high0 Ų051.5 Ų51.50%027%0.265CS..EExtended strand (participates in β ladder)trans-86.1134.7178.3-69.60000110.6S149 Y152 Y167 V168 P171 I175 I178S149-C154 PolarHBondContact O-SG 3.17Å; S149-C154 VanDerWaalsContact O-SG 3.34Å; Y152-C154 PolarHBondContact O-N 3.45Å; C154-Y167 WeakPolarHBondContact O-CA 3.17Å; C154-V168 PolarHBondContact N-O 2.91Å; C154-V168 PolarHBondContact O-N 3.01Å; C154-P171 HydrophobicContact CB-CG 4.31Å; C154-I175 HydrophobicContact CB-CB 4.24Å; C154-I178 WeakPolarHBondContact CA-O 3.41Å
155I98.4Very high94.3Very high0 Ų053.6 Ų53.60%027%0.274CS..EExtended strand (participates in β ladder)trans-111.9126-179.8-65.3169.5000108.3L139 V164 Y167 S176 I178 N180 V238L139-I155 HydrophobicContact CD2-CD1 4.21Å; I155-V164 HydrophobicContact CG2-CB 4.4Å; I155-V164 HydrophobicContact CG2-CG1 4.02Å; I155-V164 HydrophobicContact CG2-CG2 3.77Å; I155-Y167 HydrophobicContact CG1-CD2 3.96Å; I155-Y167 HydrophobicContact CG1-CE2 4.18Å; I155-S176 WeakPolarHBondContact O-CB 3.32Å; I155-S176 PolarHBondContact O-OG 2.88Å; I155-I178 HydrophobicContact CB-CB 4.28Å; I155-I178 HydrophobicContact CB-CG2 3.92Å; I155-I178 HydrophobicContact CD1-CG2 4.44Å; I155-I178 HydrophobicContact CG2-CG2 4.26Å; I155-I178 PolarHBondContact N-O 2.82Å; I155-N180 HydrophobicContact CD1-CB 4.23Å; I155-V238 HydrophobicContact CD1-CG2 4.08Å; I155-V238 HydrophobicContact CG2-CB 4.4Å; I155-V238 HydrophobicContact CG2-CG1 4.3Å
156V98.1Very high94.6Very high43 Ų4355.4 Ų55.426%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-102.6113.8164.2-1770000106.8L165 H166 I175V156-L165 PolarHBondContact O-N 3.27Å; V156-H166 HydrophobicContact CB-CB 4Å; V156-H166 HydrophobicContact CG2-CB 4.11Å; V156-H166 PolarHBondContact N-O 3.48Å; V156-H166 PolarHBondContact O-N 2.89Å; V156-I175 HydrophobicContact CG2-CG2 3.74Å
157E97.6Very high95Very high30 Ų3047.8 Ų47.814%0.1425%0.251CS..EExtended strand (participates in β ladder)trans-98.8160.8179.571165.5-166.600112.9P159 H162 E163 I178 V238 L240E157-P159 WeakPolarHBondContact O-CD 3.35Å; E157-H162 IonicContact OE1-CE1 2.73Å; E157-H162 IonicContact OE1-ND1 3.82Å; E157-H162 PolarHBondContact OE1-ND1 2.79Å; E157-H162 IonicContact OE2-CE1 2.77Å; E157-H162 IonicContact OE2-CG 3.21Å; E157-H162 IonicContact OE2-ND1 3.67Å; E157-H162 PolarHBondContact OE2-ND1 2.94Å; E157-E163 CarbonylContact C-O 3.58Å; E157-E163 WeakPolarHBondContact CA-O 3.19Å; E157-I178 HydrophobicContact CG-CD1 3.75Å; E157-V238 HydrophobicContact CB-CG1 3.84Å; E157-V238 HydrophobicContact CG-CG1 4.49Å; E157-V238 WeakPolarHBondContact OE2-CG1 3.49Å; E157-L240 WeakPolarHBondContact OE1-CD1 3.34Å
158N97.6Very high95.4Very high38 Ų3845.9 Ų45.920%0.20324%0.239CC..  trans-81.1116.4160.1179.8-46.8000108.8Q160 T161 H162 E163 L165N158-Q160 PolarHBondContact O-N 2.84Å; N158-Q160 VanDerWaalsContact O-N 3.1Å; N158-Q160 WeakPolarHBondContact OD1-CB 2.95Å; N158-Q160 PolarHBondContact OD1-N 3.25Å; N158-Q160 PolarHBondContact OD1-OE1 2.81Å; N158-T161 VanDerWaalsContact CB-OG1 3.3Å; N158-T161 WeakPolarHBondContact CB-OG1 3.28Å; N158-T161 PolarHBondContact O-N 2.85Å; N158-T161 PolarHBondContact OD1-N 3.02Å; N158-T161 VanDerWaalsContact OD1-N 3.13Å; N158-T161 PolarHBondContact OD1-OG1 3.37Å; N158-H162 VanDerWaalsContact O-CA 3.23Å; N158-H162 WeakPolarHBondContact O-CA 3.3Å; N158-H162 PolarHBondContact O-N 2.88Å; N158-E163 HydrophobicContact CB-CB 4.22Å; N158-E163 PolarHBondContact N-O 3.03Å; N158-L165 HydrophobicContact CB-CD1 4.05Å; N158-L165 HydrophobicContact CB-CD2 4.19Å; N158-L165 HydrophobicContact CB-CG 4.08Å
159P95.3Very high95.9Very high91 Ų9145.6 Ų45.659%0.59124%0.237SC*.THydrogen-bonded Turntrans-63.9-19-174.9-24.735000115.3E157E157-P159 WeakPolarHBondContact O-CD 3.35Å
160Q94.6Very high96Very high158 Ų15850.7 Ų50.774%0.73826%0.26SS*.THydrogen-bonded Turntrans-91.2-35.2-179.3-64.883.5-1.400112.4N158N158-Q160 PolarHBondContact O-N 2.84Å; N158-Q160 VanDerWaalsContact O-N 3.1Å; N158-Q160 WeakPolarHBondContact OD1-CB 2.95Å; N158-Q160 PolarHBondContact OD1-N 3.25Å; N158-Q160 PolarHBondContact OD1-OE1 2.81Å
161T95.4Very high96.1Very high62 Ų6248.5 Ų48.538%0.3825%0.249SC..THydrogen-bonded Turntrans-110.6-13.6-173.766.20000113.7N158 E163 Y237N158-T161 VanDerWaalsContact CB-OG1 3.3Å; N158-T161 WeakPolarHBondContact CB-OG1 3.28Å; N158-T161 PolarHBondContact O-N 2.85Å; N158-T161 PolarHBondContact OD1-N 3.02Å; N158-T161 VanDerWaalsContact OD1-N 3.13Å; N158-T161 PolarHBondContact OD1-OG1 3.37Å; T161-E163 PolarHBondContact O-N 3.38Å; T161-E163 WeakPolarHBondContact OG1-CB 3.39Å; T161-E163 PolarHBondContact OG1-N 2.95Å; T161-Y237 WeakPolarHBondContact O-CD1 3.32Å
162H97.2Very high96.2Very high79 Ų7951 Ų5137%0.36627%0.271SS..  trans56.121.9-168.3-58.3-69.9000114.3E157 N158 Y237 V238E157-H162 IonicContact OE1-CE1 2.73Å; E157-H162 IonicContact OE1-ND1 3.82Å; E157-H162 PolarHBondContact OE1-ND1 2.79Å; E157-H162 IonicContact OE2-CE1 2.77Å; E157-H162 IonicContact OE2-CG 3.21Å; E157-H162 IonicContact OE2-ND1 3.67Å; E157-H162 PolarHBondContact OE2-ND1 2.94Å; N158-H162 VanDerWaalsContact O-CA 3.23Å; N158-H162 WeakPolarHBondContact O-CA 3.3Å; N158-H162 PolarHBondContact O-N 2.88Å; H162-Y237 CarbonylContact O-C 3.54Å; H162-Y237 VanDerWaalsContact O-CA 3.23Å; H162-Y237 WeakPolarHBondContact O-CA 3.29Å; H162-V238 HydrophobicContact CB-CG1 4.35Å; H162-V238 WeakPolarHBondContact CB-O 3.39Å; H162-V238 PolarHBondContact O-N 3.2Å
163E97.9Very high96.2Very high33 Ų3354.2 Ų54.215%0.15429%0.293CS..BIsolated β-bridgetrans-66.7135.8169.6-176.4-175.5170.800109.8E157 N158 T161 L165 G234 Y237E157-E163 CarbonylContact C-O 3.58Å; E157-E163 WeakPolarHBondContact CA-O 3.19Å; N158-E163 HydrophobicContact CB-CB 4.22Å; N158-E163 PolarHBondContact N-O 3.03Å; T161-E163 PolarHBondContact O-N 3.38Å; T161-E163 WeakPolarHBondContact OG1-CB 3.39Å; T161-E163 PolarHBondContact OG1-N 2.95Å; E163-L165 PolarHBondContact O-N 3.26Å; E163-G234 WeakPolarHBondContact OE1-CA 3.45Å; E163-G234 PolarHBondContact OE1-N 2.84Å; E163-Y237 HydrophobicContact CB-CD1 4.15Å; E163-Y237 HydrophobicContact CB-CE1 3.81Å; E163-Y237 HydrophobicContact CG-CE1 4.43Å
164V98.4Very high96.1Very high0 Ų057.5 Ų57.50%031%0.306CS..EExtended strand (participates in β ladder)trans-77.9103.8172.3177.30000109I155 A231 G232 I236 V238I155-V164 HydrophobicContact CG2-CB 4.4Å; I155-V164 HydrophobicContact CG2-CG1 4.02Å; I155-V164 HydrophobicContact CG2-CG2 3.77Å; V164-A231 HydrophobicContact CG1-CB 4.25Å; V164-A231 CarbonylContact O-C 3.47Å; V164-A231 WeakPolarHBondContact O-CA 3.48Å; V164-G232 PolarHBondContact O-N 3.35Å; V164-I236 HydrophobicContact CB-CB 4.02Å; V164-I236 HydrophobicContact CB-CG2 3.75Å; V164-I236 HydrophobicContact CG1-CG2 4.35Å; V164-I236 HydrophobicContact CG2-CB 4.34Å; V164-I236 HydrophobicContact CG2-CG2 3.62Å; V164-I236 PolarHBondContact N-O 2.98Å; V164-V238 HydrophobicContact CG2-CB 4.05Å; V164-V238 HydrophobicContact CG2-CG1 4.37Å
165L98.3Very high95.9Very high58 Ų5860.8 Ų60.830%0.30432%0.324SS..EExtended strand (participates in β ladder)trans-76.6-41.7179.8-61.1177.5000111.7V156 N158 E163 A231 G232V156-L165 PolarHBondContact O-N 3.27Å; N158-L165 HydrophobicContact CB-CD1 4.05Å; N158-L165 HydrophobicContact CB-CD2 4.19Å; N158-L165 HydrophobicContact CB-CG 4.08Å; E163-L165 PolarHBondContact O-N 3.26Å; L165-A231 CarbonylContact O-C 3.54Å; L165-G232 PolarHBondContact O-N 2.83Å
166H97.6Very high95.8Very high121 Ų12161.4 Ų61.456%0.5633%0.328SS*.EExtended strand (participates in β ladder)trans-138.3142175.4-58.5-64000110.7V156V156-H166 HydrophobicContact CB-CB 4Å; V156-H166 HydrophobicContact CG2-CB 4.11Å; V156-H166 PolarHBondContact N-O 3.48Å; V156-H166 PolarHBondContact O-N 2.89Å
167Y98.2Very high95.7Very high10 Ų1063 Ų634%0.03934%0.335CS..EExtended strand (participates in β ladder)trans-128129.4172.9-176.3-79.7000108.8L139 C154 I155 E169 N180 E223 F227L139-Y167 HydrophobicContact CD2-CD2 4.48Å; L139-Y167 HydrophobicContact CD2-CE2 4.34Å; C154-Y167 WeakPolarHBondContact O-CA 3.17Å; I155-Y167 HydrophobicContact CG1-CD2 3.96Å; I155-Y167 HydrophobicContact CG1-CE2 4.18Å; Y167-E169 HydrophobicContact CE1-CB 4.13Å; Y167-E169 PolarHBondContact OH-OE2 3.47Å; Y167-N180 HydrophobicContact CE2-CB 4.02Å; Y167-N180 PolarHBondContact OH-ND2 3.18Å; Y167-E223 WeakPolarHBondContact CD1-O 3.49Å; Y167-E223 HydrophobicContact CE1-CB 3.89Å; Y167-E223 VanDerWaalsContact CE1-O 3.31Å; Y167-E223 WeakPolarHBondContact CE1-O 3.12Å; Y167-E223 WeakPolarHBondContact OH-CB 3.43Å; Y167-E223 WeakPolarHBondContact OH-CG 3.19Å; Y167-F227 HydrophobicContact CD1-CB 3.94Å; Y167-F227 HydrophobicContact CD2-CB 4.02Å; Y167-F227 HydrophobicContact CD2-CD2 4.5Å; Y167-F227 HydrophobicContact CE1-CB 4.24Å; Y167-F227 HydrophobicContact CE2-CB 4.29Å; Y167-F227 HydrophobicContact CE2-CD2 4.01Å; Y167-F227 HydrophobicContact CG-CB 3.85Å
168V96.6Very high95.7Very high53 Ų5362.2 Ų62.232%0.32133%0.331SS..EExtended strand (participates in β ladder)trans-133.7115.9177.1-170.30000110.1G153 C154 K170 P171 I175G153-V168 CarbonylContact C-O 3.5Å; G153-V168 WeakPolarHBondContact CA-O 3.36Å; C154-V168 PolarHBondContact N-O 2.91Å; C154-V168 PolarHBondContact O-N 3.01Å; V168-K170 PolarHBondContact O-N 3.49Å; V168-P171 HydrophobicContact CB-CB 4.41Å; V168-P171 HydrophobicContact CG1-CB 3.78Å; V168-I175 HydrophobicContact CG2-CG2 4.44Å
169E95.6Very high95.7Very high36 Ų3660.5 Ų60.517%0.16832%0.322CS..EExtended strand (participates in β ladder)trans-75.6116.1176.9-175.760.8-160.300111.3G153 Y167 E223 Q224G153-E169 WeakPolarHBondContact CA-OE2 3.47Å; Y167-E169 HydrophobicContact CE1-CB 4.13Å; Y167-E169 PolarHBondContact OH-OE2 3.47Å; E169-E223 HydrophobicContact CB-CB 4.37Å; E169-E223 HydrophobicContact CG-CB 4.18Å; E169-E223 WeakPolarHBondContact OE2-CB 3.41Å; E169-Q224 HydrophobicContact CB-CG 3.98Å; E169-Q224 HydrophobicContact CG-CG 4.06Å
170K92.8Very high95.8Very high108 Ų10856.7 Ų56.747%0.4730%0.297SS..SBendtrans49.764175.2-63.3-175.4-174.181.90112.9L150 N151 Y152 V168L150-K170 WeakPolarHBondContact O-CA 3.19Å; N151-K170 WeakPolarHBondContact O-CE 3.36Å; Y152-K170 WeakPolarHBondContact O-CA 3.49Å; Y152-K170 PolarHBondContact O-N 3.43Å; V168-K170 PolarHBondContact O-N 3.49Å
171P92.4Very high95.9Very high11 Ų1149.2 Ų49.27%0.07126%0.262CS..  trans-66.4148.8-175.831.5-36.9000111.3L150 C154 V168 T173 I175L150-P171 HydrophobicContact CD2-CG 4.28Å; C154-P171 HydrophobicContact CB-CG 4.31Å; V168-P171 HydrophobicContact CB-CB 4.41Å; V168-P171 HydrophobicContact CG1-CB 3.78Å; P171-T173 VanDerWaalsContact C-N 3.26Å; P171-T173 VanDerWaalsContact CB-O 3.27Å; P171-T173 WeakPolarHBondContact CB-O 3.48Å; P171-T173 WeakPolarHBondContact CG-O 3.3Å; P171-T173 PolarHBondContact O-N 2.75Å; P171-I175 HydrophobicContact CB-CG1 3.68Å; P171-I175 HydrophobicContact CG-CG1 3.96Å
172S91.7Very high96Very high117 Ų11746.5 Ų46.582%0.81825%0.246SC*.SBendtrans-72.6-21.8174.555.20000112.9
173T93Very high96.1Very high87 Ų8742.7 Ų42.753%0.53423%0.229SC..SBendtrans-128.4161.3178.457.40000110.6L150 P171 I175L150-T173 WeakPolarHBondContact CD2-O 3.44Å; P171-T173 VanDerWaalsContact C-N 3.26Å; P171-T173 VanDerWaalsContact CB-O 3.27Å; P171-T173 WeakPolarHBondContact CB-O 3.48Å; P171-T173 WeakPolarHBondContact CG-O 3.3Å; P171-T173 PolarHBondContact O-N 2.75Å; T173-I175 PolarHBondContact O-N 3.21Å
174F94.8Very high96.1Very high72 Ų7241.2 Ų41.232%0.31622%0.222SC..  trans-66.5128.5179.2175.4-99000110.8R146 S176 D177R146-F174 HydrophobicContact CB-CD2 3.99Å; R146-F174 HydrophobicContact CB-CE2 4.18Å; R146-F174 HydrophobicContact CG-CB 3.97Å; R146-F174 HydrophobicContact CG-CD2 3.54Å; R146-F174 HydrophobicContact CG-CE2 4.17Å; R146-F174 HydrophobicContact CG-CG 3.8Å; F174-S176 VanDerWaalsContact CE2-C 3.42Å; F174-S176 VanDerWaalsContact CE2-O 3.23Å; F174-S176 WeakPolarHBondContact CE2-O 3.48Å; F174-D177 HydrophobicContact CE2-CB 4.48Å; F174-D177 HydrophobicContact CZ-CB 4.49Å
175I93.6Very high96.1Very high70 Ų7041.2 Ų41.236%0.35922%0.222SC..  trans-116.3-50178.4-57.9-59.3000110.9C154 V156 V168 P171 T173C154-I175 HydrophobicContact CB-CB 4.24Å; V156-I175 HydrophobicContact CG2-CG2 3.74Å; V168-I175 HydrophobicContact CG2-CG2 4.44Å; P171-I175 HydrophobicContact CB-CG1 3.68Å; P171-I175 HydrophobicContact CG-CG1 3.96Å; T173-I175 PolarHBondContact O-N 3.21Å
176S95.6Very high96.1Very high12 Ų1238.5 Ų38.58%0.08421%0.208CC..  trans-151.7159-177.4-175.50000109.8S149 I155 F174 I178S149-S176 VanDerWaalsContact CB-O 3.28Å; S149-S176 WeakPolarHBondContact CB-O 3.26Å; S149-S176 PolarHBondContact OG-O 2.87Å; S149-S176 VanDerWaalsContact OG-O 3.05Å; I155-S176 WeakPolarHBondContact O-CB 3.32Å; I155-S176 PolarHBondContact O-OG 2.88Å; F174-S176 VanDerWaalsContact CE2-C 3.42Å; F174-S176 VanDerWaalsContact CE2-O 3.23Å; F174-S176 WeakPolarHBondContact CE2-O 3.48Å; S176-I178 PolarHBondContact OG-N 2.8Å; S176-I178 VanDerWaalsContact OG-N 3.13Å
177D95.1Very high96.1Very high77 Ų7732.8 Ų32.841%0.41218%0.181SC..SBendtrans-88.6-15.9168.257.7-8000112.6T143 A144 F174T143-D177 CarbonylContact C-O 3.47Å; T143-D177 WeakPolarHBondContact CA-O 3.39Å; A144-D177 PolarHBondContact N-O 2.84Å; A144-D177 WeakPolarHBondContact O-CB 3.43Å; F174-D177 HydrophobicContact CE2-CB 4.48Å; F174-D177 HydrophobicContact CZ-CB 4.49Å
178I97.9Very high96.1Very high14 Ų1433.9 Ų33.97%0.07219%0.19CC..EExtended strand (participates in β ladder)trans-79.6124.1174.8-54.2167.3000109.6T142 C154 I155 E157 S176 L240T142-I178 CarbonylContact O-C 3.54Å; T142-I178 WeakPolarHBondContact O-CA 3.35Å; C154-I178 WeakPolarHBondContact CA-O 3.41Å; I155-I178 HydrophobicContact CB-CB 4.28Å; I155-I178 HydrophobicContact CB-CG2 3.92Å; I155-I178 HydrophobicContact CD1-CG2 4.44Å; I155-I178 HydrophobicContact CG2-CG2 4.26Å; I155-I178 PolarHBondContact N-O 2.82Å; E157-I178 HydrophobicContact CG-CD1 3.75Å; S176-I178 PolarHBondContact OG-N 2.8Å; S176-I178 VanDerWaalsContact OG-N 3.13Å; I178-L240 HydrophobicContact CD1-CD2 4.12Å; I178-L240 HydrophobicContact CG1-CD2 4.3Å; I178-L240 HydrophobicContact CG2-CD2 3.64Å
179I97.5Very high96.1Very high1 Ų134.6 Ų34.61%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-118146.2-179.660.1163.3000112.6G141 T142 A144 Y152 G153 C181 W245G141-I179 VanDerWaalsContact CA-O 3.3Å; G141-I179 WeakPolarHBondContact CA-O 3.26Å; T142-I179 HydrophobicContact CG2-CD1 4.1Å; T142-I179 HydrophobicContact CG2-CG1 3.81Å; T142-I179 PolarHBondContact N-O 3.1Å; T142-I179 VanDerWaalsContact N-O 3.16Å; T142-I179 WeakPolarHBondContact O-CG1 3.21Å; T142-I179 PolarHBondContact O-N 2.72Å; A144-I179 HydrophobicContact CB-CD1 3.66Å; A144-I179 HydrophobicContact CB-CG1 3.94Å; A144-I179 HydrophobicContact CB-CG2 3.97Å; Y152-I179 HydrophobicContact CD2-CD1 3.71Å; Y152-I179 HydrophobicContact CD2-CG2 4.42Å; Y152-I179 HydrophobicContact CE2-CD1 4.17Å; Y152-I179 HydrophobicContact CG-CD1 4.07Å; G153-I179 CarbonylContact O-C 3.6Å; G153-I179 VanDerWaalsContact O-CA 3.31Å; G153-I179 WeakPolarHBondContact O-CA 3.29Å; I179-C181 PolarHBondContact O-N 3.5Å; I179-W245 HydrophobicContact CD1-CE3 3.99Å; I179-W245 HydrophobicContact CD1-CH2 3.65Å; I179-W245 HydrophobicContact CD1-CZ3 3.32Å
180N97.9Very high96.1Very high11 Ų1132.9 Ų32.96%0.05918%0.182CC..EExtended strand (participates in β ladder)trans-66.8124.1173177.6-0.9000111G153 I155 Y167 G182 Y184G153-N180 PolarHBondContact O-N 3.26Å; I155-N180 HydrophobicContact CD1-CB 4.23Å; Y167-N180 HydrophobicContact CE2-CB 4.02Å; Y167-N180 PolarHBondContact OH-ND2 3.18Å; N180-G182 PolarHBondContact OD1-N 2.74Å; N180-Y184 PolarHBondContact ND2-OH 3.36Å; N180-Y184 WeakPolarHBondContact OD1-CE1 3.4Å; N180-Y184 PolarHBondContact OD1-OH 2.78Å
181C97.4Very high96.2Very high1 Ų128.5 Ų28.51%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-87.2-5-176.5-67.80000114.9V117 L140 T142 I179 I183 W245V117-C181 VanDerWaalsContact CG2-O 3.29Å; V117-C181 WeakPolarHBondContact CG2-O 3.11Å; L140-C181 HydrophobicContact CB-CB 3.98Å; L140-C181 HydrophobicContact CD2-CB 3.93Å; L140-C181 HydrophobicContact CG-CB 3.98Å; L140-C181 VanDerWaalsContact O-CB 3.28Å; L140-C181 WeakPolarHBondContact O-CB 3.28Å; L140-C181 PolarHBondContact O-N 2.77Å; T142-C181 VanDerWaalsContact CG2-SG 3.58Å; T142-C181 PolarHBondContact N-SG 3.28Å; I179-C181 PolarHBondContact O-N 3.5Å; C181-I183 VanDerWaalsContact C-N 3.28Å; C181-I183 PolarHBondContact O-N 3Å; C181-W245 VanDerWaalsContact CA-NE1 3.3Å; C181-W245 HydrophobicContact CB-CG 4.36Å; C181-W245 VanDerWaalsContact CB-NE1 3.33Å; C181-W245 PolarHBondContact O-NE1 3.05Å
182G97.1Very high96.4Very high5 Ų533.6 Ų33.65%0.05218%0.184CC..EExtended strand (participates in β ladder)trans74.817.9-176.100000114.2N114 N180 Y184N114-G182 PolarHBondContact N-O 2.77Å; N180-G182 PolarHBondContact OD1-N 2.74Å; G182-Y184 WeakPolarHBondContact CA-OH 3.43Å
183I98.6Very high96.5Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-128.3130.3179.1-61.9164000107.5L113 V117 F121 L123 M126 L140 C181L113-I183 HydrophobicContact CD2-CG1 4.44Å; L113-I183 HydrophobicContact CD2-CG2 4.2Å; L113-I183 HydrophobicContact CG-CG2 4.47Å; V117-I183 HydrophobicContact CG1-CD1 3.82Å; V117-I183 HydrophobicContact CG1-CG1 4.23Å; F121-I183 HydrophobicContact CD1-CD1 3.55Å; F121-I183 HydrophobicContact CD1-CG1 4.28Å; F121-I183 HydrophobicContact CE1-CD1 3.73Å; F121-I183 HydrophobicContact CE1-CG1 4.29Å; L123-I183 HydrophobicContact CD2-CG2 3.81Å; M126-I183 HydrophobicContact SD-CG2 4.03Å; L140-I183 HydrophobicContact CB-CB 3.98Å; L140-I183 HydrophobicContact CB-CG2 4.37Å; L140-I183 WeakPolarHBondContact CB-O 3.41Å; L140-I183 HydrophobicContact CD2-CB 3.96Å; L140-I183 HydrophobicContact CD2-CD1 3.68Å; L140-I183 HydrophobicContact CD2-CG1 4.39Å; L140-I183 HydrophobicContact CD2-CG2 4.28Å; L140-I183 PolarHBondContact N-O 2.8Å; C181-I183 VanDerWaalsContact C-N 3.28Å; C181-I183 PolarHBondContact O-N 3Å
184Y98.6Very high96.6Very high1 Ų124.9 Ų24.90%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-140.2154.3-170.7-42.6-67.7000112F111 V112 L138 L139 N180 G182 F186 L222 F227F111-Y184 CarbonylContact C-O 3.59Å; F111-Y184 VanDerWaalsContact CA-O 3.29Å; F111-Y184 WeakPolarHBondContact CA-O 3.45Å; V112-Y184 HydrophobicContact CB-CD2 3.98Å; V112-Y184 HydrophobicContact CG1-CD2 4.03Å; V112-Y184 PolarHBondContact N-O 3.3Å; V112-Y184 WeakPolarHBondContact O-CD2 3.46Å; V112-Y184 PolarHBondContact O-N 3.22Å; L138-Y184 CarbonylContact O-C 3.6Å; L138-Y184 WeakPolarHBondContact O-CA 3.46Å; L139-Y184 HydrophobicContact CB-CD1 4.21Å; L139-Y184 HydrophobicContact CB-CE1 4.46Å; L139-Y184 HydrophobicContact CD1-CD1 4.19Å; L139-Y184 HydrophobicContact CD2-CE1 4.47Å; L139-Y184 HydrophobicContact CG-CD1 3.68Å; L139-Y184 HydrophobicContact CG-CE1 3.82Å; N180-Y184 PolarHBondContact ND2-OH 3.36Å; N180-Y184 WeakPolarHBondContact OD1-CE1 3.4Å; N180-Y184 PolarHBondContact OD1-OH 2.78Å; G182-Y184 WeakPolarHBondContact CA-OH 3.43Å; Y184-F186 HydrophobicContact CD1-CE1 4.33Å; Y184-F186 HydrophobicContact CD2-CE1 4.48Å; Y184-F186 HydrophobicContact CD2-CZ 4.02Å; Y184-F186 AromaticContact CG-CE1 3.8Å; Y184-F186 HydrophobicContact CG-CE1 3.8Å; Y184-F186 AromaticContact CG-CZ 3.8Å; Y184-F186 HydrophobicContact CG-CZ 3.8Å; Y184-L222 HydrophobicContact CE2-CD1 4.43Å; Y184-F227 HydrophobicContact CD1-CE2 4.45Å; Y184-F227 HydrophobicContact CD1-CZ 4.19Å; Y184-F227 AromaticContact CE1-CE2 3.8Å; Y184-F227 HydrophobicContact CE1-CE2 3.8Å; Y184-F227 AromaticContact CE1-CZ 3.99Å; Y184-F227 HydrophobicContact CE1-CZ 3.99Å; Y184-F227 AromaticContact CZ-CE2 3.96Å
185L98.6Very high96.6Very high0 Ų026.4 Ų26.40%013%0.13CC..EExtended strand (participates in β ladder)trans-125.6116.5166.2178.559.3000108.9A109 F111 M126 L127 H130 L138A109-L185 HydrophobicContact CB-CD1 3.69Å; A109-L185 HydrophobicContact CB-CG 4.35Å; F111-L185 HydrophobicContact CD1-CB 4.11Å; F111-L185 HydrophobicContact CD1-CD1 3.9Å; F111-L185 HydrophobicContact CD2-CD1 4.14Å; F111-L185 HydrophobicContact CE1-CB 4.07Å; F111-L185 HydrophobicContact CE1-CD1 3.84Å; F111-L185 HydrophobicContact CE1-CD2 4.15Å; F111-L185 HydrophobicContact CE1-CG 4.25Å; F111-L185 HydrophobicContact CE2-CD1 4.07Å; F111-L185 HydrophobicContact CG-CD1 4.07Å; F111-L185 HydrophobicContact CZ-CD1 3.93Å; F111-L185 HydrophobicContact CZ-CD2 4.27Å; M126-L185 HydrophobicContact CB-CD2 4.47Å; M126-L185 HydrophobicContact CE-CB 4.24Å; L127-L185 HydrophobicContact CB-CD2 4.39Å; L127-L185 HydrophobicContact CD1-CD2 4.33Å; H130-L185 HydrophobicContact CB-CD2 3.48Å; H130-L185 VanDerWaalsContact CB-CD2 3.48Å; H130-L185 HydrophobicContact CB-CG 4.42Å; L138-L185 HydrophobicContact CB-CB 4.33Å; L138-L185 PolarHBondContact N-O 3.21Å; L138-L185 PolarHBondContact O-N 2.81Å
186F98.5Very high96.6Very high2 Ų226.4 Ų26.41%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-110138.3-175.6-66-12.1000111.2L95 A109 F110 V112 P136 F137 Y184 A190 L222 F227L95-F186 HydrophobicContact CD1-CE2 4.01Å; A109-F186 CarbonylContact C-O 3.5Å; A109-F186 VanDerWaalsContact CA-O 3.28Å; A109-F186 WeakPolarHBondContact CA-O 3.39Å; A109-F186 WeakPolarHBondContact CB-O 3.33Å; F110-F186 HydrophobicContact CD1-CB 4.42Å; F110-F186 HydrophobicContact CD2-CB 4.32Å; F110-F186 HydrophobicContact CE1-CB 3.91Å; F110-F186 HydrophobicContact CE2-CB 3.82Å; F110-F186 AromaticContact CE2-CD2 3.74Å; F110-F186 HydrophobicContact CE2-CD2 3.74Å; F110-F186 HydrophobicContact CE2-CG 4.26Å; F110-F186 HydrophobicContact CZ-CB 3.59Å; F110-F186 AromaticContact CZ-CD2 3.96Å; F110-F186 HydrophobicContact CZ-CD2 3.96Å; F110-F186 HydrophobicContact CZ-CG 4.31Å; F110-F186 PolarHBondContact N-O 3.05Å; F110-F186 PolarHBondContact O-N 3.04Å; V112-F186 HydrophobicContact CB-CD2 4.38Å; V112-F186 HydrophobicContact CB-CE2 4.09Å; V112-F186 HydrophobicContact CG2-CD2 3.52Å; V112-F186 HydrophobicContact CG2-CE2 3.63Å; V112-F186 HydrophobicContact CG2-CG 4.29Å; V112-F186 HydrophobicContact CG2-CZ 4.46Å; P136-F186 WeakPolarHBondContact O-CA 3.34Å; F137-F186 HydrophobicContact CB-CD1 4.36Å; F137-F186 HydrophobicContact CB-CE1 4.3Å; F137-F186 AromaticContact CD1-CD1 3.65Å; F137-F186 HydrophobicContact CD1-CD1 3.65Å; F137-F186 AromaticContact CD1-CE1 3.42Å; F137-F186 HydrophobicContact CD1-CE1 3.42Å; F137-F186 VanDerWaalsContact CD1-CE1 3.42Å; F137-F186 HydrophobicContact CD1-CE2 4.37Å; F137-F186 HydrophobicContact CD1-CG 4.25Å; F137-F186 AromaticContact CD1-CZ 3.84Å; F137-F186 HydrophobicContact CD1-CZ 3.84Å; F137-F186 HydrophobicContact CE1-CD1 4.42Å; F137-F186 HydrophobicContact CE1-CE1 4.23Å; F137-F186 HydrophobicContact CE1-CE2 4.41Å; F137-F186 HydrophobicContact CE1-CZ 4.24Å; F137-F186 HydrophobicContact CG-CD1 4.38Å; F137-F186 HydrophobicContact CG-CE1 4.32Å; Y184-F186 HydrophobicContact CD1-CE1 4.33Å; Y184-F186 HydrophobicContact CD2-CE1 4.48Å; Y184-F186 HydrophobicContact CD2-CZ 4.02Å; Y184-F186 AromaticContact CG-CE1 3.8Å; Y184-F186 HydrophobicContact CG-CE1 3.8Å; Y184-F186 AromaticContact CG-CZ 3.8Å; Y184-F186 HydrophobicContact CG-CZ 3.8Å; F186-A190 HydrophobicContact CB-CB 3.79Å; F186-A190 HydrophobicContact CD2-CB 4.31Å; F186-A190 HydrophobicContact CG-CB 4.04Å; F186-L222 HydrophobicContact CE2-CD1 4.49Å; F186-L222 HydrophobicContact CZ-CD1 4.43Å; F186-F227 HydrophobicContact CE1-CZ 4.42Å; F186-F227 HydrophobicContact CZ-CE1 4.35Å; F186-F227 HydrophobicContact CZ-CZ 4.09Å
187S97.6Very high96.5Very high0 Ų026.1 Ų26.10%013%0.128CC..  trans-79.5159.5162.7-580000110.2H130 R134 H135 P136 E189 A190H130-S187 PolarHBondContact CE1-OG 2.97Å; H130-S187 PolarHBondContact NE2-OG 2.77Å; R134-S187 WeakPolarHBondContact CG-OG 3.22Å; R134-S187 PolarHBondContact NE-OG 3.45Å; H135-S187 PolarHBondContact O-OG 2.8Å; P136-S187 PolarHBondContact O-N 3.34Å; S187-E189 WeakPolarHBondContact CB-OE2 3.44Å; S187-E189 PolarHBondContact O-N 2.95Å; S187-A190 WeakPolarHBondContact O-CB 3.49Å; S187-A190 PolarHBondContact O-N 3.02Å
188P96.9Very high96.3Very high34 Ų3424.8 Ų24.822%0.22112%0.119CC..G310 helixtrans-49.5-30.5171.5-30.936.5000114.9L103 P107 E108 A190 L191L103-P188 HydrophobicContact CD2-CB 3.85Å; L103-P188 HydrophobicContact CD2-CG 4.08Å; P107-P188 WeakPolarHBondContact O-CG 3.4Å; E108-P188 VanDerWaalsContact O-CD 3.29Å; E108-P188 WeakPolarHBondContact O-CD 3.23Å; P188-A190 PolarHBondContact O-N 3.46Å; P188-L191 PolarHBondContact O-N 3.08Å
189E96Very high95.9Very high67 Ų6728.8 Ų28.831%0.31314%0.137SC..G310 helixtrans-63.4-23.5177.3-64.675-165.600113.3R134 S187 L191 K192 P193R134-E189 IonicContact CZ-OE1 3.45Å; R134-E189 IonicContact CZ-OE2 3.48Å; R134-E189 IonicContact NE-OE2 3.78Å; R134-E189 IonicContact NH1-OE1 3.78Å; R134-E189 IonicContact NH2-OE1 3.72Å; R134-E189 PolarHBondContact NH2-OE1 3.16Å; R134-E189 IonicContact NH2-OE2 2.8Å; R134-E189 PolarHBondContact NH2-OE2 2.8Å; S187-E189 WeakPolarHBondContact CB-OE2 3.44Å; S187-E189 PolarHBondContact O-N 2.95Å; E189-L191 PolarHBondContact O-N 3.03Å; E189-L191 VanDerWaalsContact O-N 3.15Å; E189-K192 WeakPolarHBondContact O-CB 3.31Å; E189-K192 PolarHBondContact O-N 2.88Å; E189-K192 VanDerWaalsContact O-N 3.07Å; E189-P193 WeakPolarHBondContact O-CD 3.48Å
190A96.3Very high95.5Very high1 Ų134.3 Ų34.31%0.00816%0.158CC..G310 helixtrans-58-26.2176.200000112.7F137 F186 S187 P188 K192 P193 L194F137-A190 HydrophobicContact CD1-CB 4.07Å; F137-A190 HydrophobicContact CE1-CB 3.6Å; F137-A190 HydrophobicContact CE2-CB 4.2Å; F137-A190 HydrophobicContact CZ-CB 3.66Å; F137-A190 WeakPolarHBondContact CZ-O 3.43Å; F186-A190 HydrophobicContact CB-CB 3.79Å; F186-A190 HydrophobicContact CD2-CB 4.31Å; F186-A190 HydrophobicContact CG-CB 4.04Å; S187-A190 WeakPolarHBondContact O-CB 3.49Å; S187-A190 PolarHBondContact O-N 3.02Å; P188-A190 PolarHBondContact O-N 3.46Å; A190-K192 VanDerWaalsContact C-N 3.26Å; A190-K192 PolarHBondContact O-N 3.3Å; A190-P193 WeakPolarHBondContact O-CD 3.39Å; A190-L194 WeakPolarHBondContact O-CD1 3.49Å
191L95.8Very high94.8Very high15 Ų1535.3 Ų35.38%0.07916%0.163CC..Hα-helixtrans-72.9-17.2-180-66.5166000113.2R99 L103 F110 P188 E189 L194 R195R99-L191 HydrophobicContact CB-CD1 4.04Å; R99-L191 HydrophobicContact CB-CD2 4.03Å; L103-L191 HydrophobicContact CD1-CD1 3.48Å; L103-L191 VanDerWaalsContact CD1-CD1 3.48Å; L103-L191 HydrophobicContact CD2-CD1 3.8Å; L103-L191 HydrophobicContact CG-CD1 3.59Å; F110-L191 HydrophobicContact CZ-CD2 4.43Å; F110-L191 HydrophobicContact CZ-CG 4.35Å; P188-L191 PolarHBondContact O-N 3.08Å; E189-L191 PolarHBondContact O-N 3.03Å; E189-L191 VanDerWaalsContact O-N 3.15Å; L191-L194 HydrophobicContact CD2-CD2 4.28Å; L191-L194 PolarHBondContact O-N 3.18Å; L191-R195 PolarHBondContact O-N 3.08Å
192K95.2Very high94Very high119 Ų11938.8 Ų38.852%0.51718%0.179SC..Hα-helixtrans-65.2-54.6177.8-67.8173.3-176174.60111.2E189 A190 L194 R195 D196E189-K192 WeakPolarHBondContact O-CB 3.31Å; E189-K192 PolarHBondContact O-N 2.88Å; E189-K192 VanDerWaalsContact O-N 3.07Å; A190-K192 VanDerWaalsContact C-N 3.26Å; A190-K192 PolarHBondContact O-N 3.3Å; K192-L194 VanDerWaalsContact C-N 3.25Å; K192-L194 PolarHBondContact O-N 3.32Å; K192-R195 WeakPolarHBondContact O-CB 3.25Å; K192-R195 PolarHBondContact O-N 3.16Å; K192-R195 VanDerWaalsContact O-N 3.12Å; K192-D196 PolarHBondContact O-N 3.44Å
193P95.5Very high93Very high19 Ų1945 Ų4512%0.12321%0.207CC..Hα-helixtrans-56.3-36.7172.7-2934.4000114.4F137 E189 A190 R195 D196 V197 V226 L230F137-P193 HydrophobicContact CE2-CG 4.06Å; F137-P193 HydrophobicContact CZ-CB 4.39Å; F137-P193 HydrophobicContact CZ-CG 4.19Å; E189-P193 WeakPolarHBondContact O-CD 3.48Å; A190-P193 WeakPolarHBondContact O-CD 3.39Å; P193-R195 VanDerWaalsContact C-N 3.32Å; P193-R195 PolarHBondContact O-N 3.5Å; P193-D196 PolarHBondContact O-N 3.16Å; P193-V197 WeakPolarHBondContact O-CG2 3.44Å; P193-V197 PolarHBondContact O-N 2.94Å; P193-V226 HydrophobicContact CB-CG1 4.26Å; P193-L230 HydrophobicContact CB-CD1 3.79Å; P193-L230 HydrophobicContact CG-CD1 3.72Å
194L94.9Very high91.6Very high2 Ų249.1 Ų49.11%0.0123%0.229CC..Hα-helixtrans-62.6-39.8177.7-90.668.3000111.8L95 Y96 F137 A190 L191 K192 F198 I220 L222 V226L95-L194 HydrophobicContact CB-CD2 3.78Å; L95-L194 HydrophobicContact CD1-CD2 4.26Å; Y96-L194 HydrophobicContact CD2-CB 4.17Å; F137-L194 HydrophobicContact CE1-CD1 4.25Å; F137-L194 HydrophobicContact CZ-CD1 4.23Å; A190-L194 WeakPolarHBondContact O-CD1 3.49Å; L191-L194 HydrophobicContact CD2-CD2 4.28Å; L191-L194 PolarHBondContact O-N 3.18Å; K192-L194 VanDerWaalsContact C-N 3.25Å; K192-L194 PolarHBondContact O-N 3.32Å; L194-F198 WeakPolarHBondContact O-CB 3.46Å; L194-F198 PolarHBondContact O-N 3.48Å; L194-I220 HydrophobicContact CB-CD1 4.45Å; L194-I220 WeakPolarHBondContact O-CD1 3.45Å; L194-L222 HydrophobicContact CD1-CD2 4.08Å; L194-L222 HydrophobicContact CD2-CD2 4.46Å; L194-V226 HydrophobicContact CD1-CG1 4.2Å; L194-V226 HydrophobicContact CD1-CG2 4.02Å
195R94.4Very high89.9Confident103 Ų10350.2 Ų50.239%0.38924%0.241SC..Hα-helixtrans-59.6-46.8172.5178.1-175.364.3-156.6-4.4111.7Y96 L191 K192 P193 V197 F198 Q199Y96-R195 HydrophobicContact CD2-CB 4.3Å; Y96-R195 HydrophobicContact CE2-CB 3.49Å; Y96-R195 VanDerWaalsContact CE2-CB 3.49Å; Y96-R195 HydrophobicContact CE2-CG 4.03Å; Y96-R195 WeakPolarHBondContact OH-CG 3.37Å; L191-R195 PolarHBondContact O-N 3.08Å; K192-R195 WeakPolarHBondContact O-CB 3.25Å; K192-R195 PolarHBondContact O-N 3.16Å; K192-R195 VanDerWaalsContact O-N 3.12Å; P193-R195 VanDerWaalsContact C-N 3.32Å; P193-R195 PolarHBondContact O-N 3.5Å; R195-V197 VanDerWaalsContact C-N 3.32Å; R195-V197 PolarHBondContact O-N 3.18Å; R195-F198 WeakPolarHBondContact O-CB 3.42Å; R195-F198 PolarHBondContact O-N 3.26Å; R195-Q199 WeakPolarHBondContact O-CG 3.32Å; R195-Q199 PolarHBondContact O-N 3.42Å
196D93.4Very high87.8Confident70 Ų7057.6 Ų57.637%0.37428%0.275SS..Hα-helixtrans-67.6-37.7-174-55.7-15.8000110.3K192 P193 R200K192-D196 PolarHBondContact O-N 3.44Å; P193-D196 PolarHBondContact O-N 3.16Å; D196-R200 PolarHBondContact O-N 3.12Å; D196-R200 VanDerWaalsContact O-N 3.14Å
197V92.6Very high85.6Confident6 Ų664.3 Ų64.34%0.03631%0.311CS..Hα-helixtrans-65.3-44.1170.8174.30000111.7P193 R195 Q199 R200 N201 I220 D225 V226P193-V197 WeakPolarHBondContact O-CG2 3.44Å; P193-V197 PolarHBondContact O-N 2.94Å; R195-V197 VanDerWaalsContact C-N 3.32Å; R195-V197 PolarHBondContact O-N 3.18Å; V197-Q199 VanDerWaalsContact C-N 3.33Å; V197-Q199 PolarHBondContact O-N 2.83Å; V197-R200 PolarHBondContact O-N 3.47Å; V197-N201 WeakPolarHBondContact O-CB 3.25Å; V197-N201 VanDerWaalsContact O-CG 3.3Å; V197-N201 PolarHBondContact O-N 2.87Å; V197-N201 PolarHBondContact O-OD1 3.02Å; V197-I220 HydrophobicContact CG1-CG1 4.19Å; V197-I220 HydrophobicContact CG1-CG2 3.96Å; V197-D225 HydrophobicContact CG1-CB 3.72Å; V197-D225 HydrophobicContact CG2-CB 4.47Å; V197-D225 WeakPolarHBondContact CG2-O 3.33Å; V197-V226 HydrophobicContact CG2-CG2 4.17Å
198F91.3Very high83.4Confident49 Ų4971.9 Ų71.922%0.21535%0.346CS..Hα-helixtrans-57.3-45.8177.4179.1-94.2000112.1Y96 L194 R195 N201 Q202 G218 I220Y96-F198 HydrophobicContact CD1-CB 3.75Å; Y96-F198 HydrophobicContact CD1-CD1 4.11Å; Y96-F198 AromaticContact CD1-CD2 3.49Å; Y96-F198 HydrophobicContact CD1-CD2 3.49Å; Y96-F198 VanDerWaalsContact CD1-CD2 3.49Å; Y96-F198 HydrophobicContact CD1-CE2 4.03Å; Y96-F198 AromaticContact CD1-CG 3.52Å; Y96-F198 HydrophobicContact CD1-CG 3.52Å; Y96-F198 HydrophobicContact CE1-CB 3.69Å; Y96-F198 AromaticContact CE1-CD1 3.42Å; Y96-F198 HydrophobicContact CE1-CD1 3.42Å; Y96-F198 VanDerWaalsContact CE1-CD1 3.42Å; Y96-F198 AromaticContact CE1-CD2 3.7Å; Y96-F198 HydrophobicContact CE1-CD2 3.7Å; Y96-F198 AromaticContact CE1-CE1 3.84Å; Y96-F198 HydrophobicContact CE1-CE1 3.84Å; Y96-F198 HydrophobicContact CE1-CE2 4.1Å; Y96-F198 AromaticContact CE1-CG 3.32Å; Y96-F198 HydrophobicContact CE1-CG 3.32Å; Y96-F198 HydrophobicContact CE1-CZ 4.14Å; Y96-F198 HydrophobicContact CG-CB 4.4Å; L194-F198 WeakPolarHBondContact O-CB 3.46Å; L194-F198 PolarHBondContact O-N 3.48Å; R195-F198 WeakPolarHBondContact O-CB 3.42Å; R195-F198 PolarHBondContact O-N 3.26Å; F198-N201 PolarHBondContact O-N 3.4Å; F198-Q202 HydrophobicContact CD1-CG 4.46Å; F198-Q202 HydrophobicContact CE1-CG 4.14Å; F198-Q202 HydrophobicContact CZ-CG 4.3Å; F198-Q202 PolarHBondContact O-N 3.09Å; F198-G218 VanDerWaalsContact CE2-CA 3.41Å; F198-I220 HydrophobicContact CB-CD1 4.03Å
199Q90.1Very high80.9Confident99 Ų9978 Ų7846%0.46338%0.377SS..Hα-helixtrans-63.5-43178.9-72.4175.3-12.800111.7R195 V197 Q202 Q203R195-Q199 WeakPolarHBondContact O-CG 3.32Å; R195-Q199 PolarHBondContact O-N 3.42Å; V197-Q199 VanDerWaalsContact C-N 3.33Å; V197-Q199 PolarHBondContact O-N 2.83Å; Q199-Q202 PolarHBondContact O-N 2.87Å; Q199-Q203 WeakPolarHBondContact O-CG 3.35Å; Q199-Q203 PolarHBondContact O-N 2.93Å
200R88.1Confident78.5Confident117 Ų11778.9 Ų78.944%0.44239%0.39SS..Hα-helixtrans-60.9-51.3175.7-168.8-170.8-51.8135.46111.6D196 V197 Q202 Q203 D204D196-R200 PolarHBondContact O-N 3.12Å; D196-R200 VanDerWaalsContact O-N 3.14Å; V197-R200 PolarHBondContact O-N 3.47Å; R200-Q202 VanDerWaalsContact C-N 3.26Å; R200-Q202 PolarHBondContact O-N 2.65Å; R200-Q203 WeakPolarHBondContact O-CB 3.29Å; R200-Q203 PolarHBondContact O-N 2.98Å; R200-D204 PolarHBondContact O-N 2.81Å
201N84.8Confident75.7Confident32 Ų3285.3 Ų85.317%0.17143%0.432CS..Hα-helixtrans-66-28.4-177.6-67.54.5000112.5V197 F198 G205 T219V197-N201 WeakPolarHBondContact O-CB 3.25Å; V197-N201 VanDerWaalsContact O-CG 3.3Å; V197-N201 PolarHBondContact O-N 2.87Å; V197-N201 PolarHBondContact O-OD1 3.02Å; F198-N201 PolarHBondContact O-N 3.4Å; N201-G205 PolarHBondContact O-N 3.44Å; N201-T219 PolarHBondContact ND2-O 2.84Å
202Q80Confident73.2Confident73 Ų7388.3 Ų88.334%0.34147%0.467SS..Hα-helixtrans-68.7-38.7170.6-81.7-146.215.700113.1F198 Q199 R200 Q206 A217F198-Q202 HydrophobicContact CD1-CG 4.46Å; F198-Q202 HydrophobicContact CE1-CG 4.14Å; F198-Q202 HydrophobicContact CZ-CG 4.3Å; F198-Q202 PolarHBondContact O-N 3.09Å; Q199-Q202 PolarHBondContact O-N 2.87Å; R200-Q202 VanDerWaalsContact C-N 3.26Å; R200-Q202 PolarHBondContact O-N 2.65Å; Q202-Q206 WeakPolarHBondContact O-CG 3.25Å; Q202-Q206 PolarHBondContact O-N 3.13Å; Q202-A217 HydrophobicContact CG-CB 4.39Å
203Q75.6Confident70.7Confident135 Ų13589.7 Ų89.763%0.63148%0.479SS*.Hα-helixtrans-67.2-45.2177.7-70.2170.71.800110.9Q199 R200 Q206Q199-Q203 WeakPolarHBondContact O-CG 3.35Å; Q199-Q203 PolarHBondContact O-N 2.93Å; R200-Q203 WeakPolarHBondContact O-CB 3.29Å; R200-Q203 PolarHBondContact O-N 2.98Å; Q203-Q206 PolarHBondContact O-N 3.32Å
204D70.1Confident68.5Low88 Ų8898.7 Ų98.747%0.47151%0.511SS..Hα-helixtrans-65.7-41.2178.4-65.4-20.6000111.5R200 Q206 L207R200-D204 PolarHBondContact O-N 2.81Å; D204-Q206 PolarHBondContact O-N 2.93Å; D204-L207 WeakPolarHBondContact O-CB 3.45Å; D204-L207 PolarHBondContact O-N 3.01Å
205G62.1Low66.2Low24 Ų24103.2 Ų103.225%0.24754%0.54CS..Hα-helixtrans-68.1-15.9179.100000115.2N201N201-G205 PolarHBondContact O-N 3.44Å
206Q55Low64.4Low154 Ų154100.2 Ų100.272%0.7254%0.541SS*.THydrogen-bonded Turntrans-82.7-13.6171.3-74.4-164.715.400113.3Q202 Q203 D204Q202-Q206 WeakPolarHBondContact O-CG 3.25Å; Q202-Q206 PolarHBondContact O-N 3.13Å; Q203-Q206 PolarHBondContact O-N 3.32Å; D204-Q206 PolarHBondContact O-N 2.93Å
207L52.9Low62.7Low144 Ų14498.8 Ų98.875%0.75454%0.539SS*.THydrogen-bonded Turntrans-89.4-18.2178.5-65.6166.9000112.5D204D204-L207 WeakPolarHBondContact O-CB 3.45Å; D204-L207 PolarHBondContact O-N 3.01Å
208E51.6Low61.8Low158 Ų15898.6 Ų98.674%0.73854%0.538SS*.  trans-102.474.1179.5-65.5-171.4164.400111.6S210E208-S210 PolarHBondContact O-N 3.14Å
209D43.5Very low61.6Low163 Ų16398.2 Ų98.287%0.87254%0.54SS*.  trans-72.173.4171.2-105.8-16.6000110.6
210S45Very low61.7Low85 Ų8593.5 Ų93.559%0.59452%0.518SS*.  trans-107110.6171.3-750000110.8E208 G212E208-S210 PolarHBondContact O-N 3.14Å; S210-G212 PolarHBondContact O-N 3.05Å
211P37.4Very low62Low136 Ų13693.2 Ų93.288%0.88352%0.517SS*.THydrogen-bonded Turntrans-70.7116.7-177.524.4-26.5000110.5
212G43.2Very low62.5Low79 Ų7991.7 Ų91.781%0.81451%0.509SS*.THydrogen-bonded Turntrans124-9.8172.200000115.9S210S210-G212 PolarHBondContact O-N 3.05Å
213L43.8Very low63.2Low148 Ų14889.3 Ų89.378%0.77550%0.498SS*.SBendtrans-95128.2166.2-130.171.4000108P215L213-P215 VanDerWaalsContact O-N 3.16Å
214W48.1Very low64Low208 Ų20886.9 Ų86.979%0.78849%0.487SS*.PPolyproline II helixtrans-51.8126167.9-71.479.9000107.3G216W214-G216 PolarHBondContact O-N 2.86Å; W214-G216 VanDerWaalsContact O-N 3.16Å
215P47.7Very low65.1Low97 Ų9783.8 Ų83.863%0.6347%0.47SS*.PPolyproline II helixtrans-56.1128.7-174.3-20.629.3000108.6L213 A217L213-P215 VanDerWaalsContact O-N 3.16Å; P215-A217 HydrophobicContact CB-CB 4.17Å; P215-A217 PolarHBondContact O-N 2.9Å
216G55.4Low66.7Low40 Ų4082.7 Ų82.741%0.41246%0.458SS..  trans-61.84.8174.700000114W214 G218 T219W214-G216 PolarHBondContact O-N 2.86Å; W214-G216 VanDerWaalsContact O-N 3.16Å; G216-G218 PolarHBondContact O-N 2.99Å; G216-T219 PolarHBondContact O-N 3.13Å
217A59.1Low68.7Low39 Ų3975.3 Ų75.332%0.32242%0.424SS..THydrogen-bonded Turntrans-54.7101.4176.300000110.8Q202 P215Q202-A217 HydrophobicContact CG-CB 4.39Å; P215-A217 HydrophobicContact CB-CB 4.17Å; P215-A217 PolarHBondContact O-N 2.9Å
218G72.6Confident70.8Confident2 Ų270.9 Ų70.92%0.02141%0.405CS..THydrogen-bonded Turntrans96.63.2177.700000116F198 G216 I220F198-G218 VanDerWaalsContact CE2-CA 3.41Å; G216-G218 PolarHBondContact O-N 2.99Å; G218-I220 PolarHBondContact O-N 3.41Å
219T87.8Confident72.8Confident42 Ų4265.8 Ų65.826%0.25839%0.39SS..  trans-69.3128.8166.9-620000109.2L89 N201 G216L89-T219 WeakPolarHBondContact O-CA 3.36Å; N201-T219 PolarHBondContact ND2-O 2.84Å; G216-T219 PolarHBondContact O-N 3.13Å
220I92.9Very high75.4Confident0 Ų058.9 Ų58.90%035%0.353CS..  trans-129.7130.2174-54.9173.8000108L89 G90 T91 G92 Y96 L194 V197 F198 G218 V226L89-I220 PolarHBondContact O-N 3.26Å; G90-I220 CarbonylContact C-O 3.54Å; G90-I220 WeakPolarHBondContact CA-O 3.27Å; T91-I220 PolarHBondContact N-O 3.38Å; G92-I220 PolarHBondContact N-O 3.33Å; Y96-I220 HydrophobicContact CG-CD1 4.35Å; L194-I220 HydrophobicContact CB-CD1 4.45Å; L194-I220 WeakPolarHBondContact O-CD1 3.45Å; V197-I220 HydrophobicContact CG1-CG1 4.19Å; V197-I220 HydrophobicContact CG1-CG2 3.96Å; F198-I220 HydrophobicContact CB-CD1 4.03Å; G218-I220 PolarHBondContact O-N 3.41Å; I220-V226 HydrophobicContact CG2-CG2 4.05Å
221R93.2Very high77.9Confident111 Ų11155.8 Ų55.842%0.41933%0.332SS..  trans-109.2107.3174-56.3167.4-58175.5-6107.7T91 E223 Q224 D225T91-R221 WeakPolarHBondContact OG1-CA 3.21Å; R221-E223 PolarHBondContact O-N 3.13Å; R221-Q224 HydrophobicContact CB-CB 4.21Å; R221-Q224 VanDerWaalsContact NE-OE1 3.15Å; R221-Q224 PolarHBondContact O-N 2.98Å; R221-D225 WeakPolarHBondContact CB-OD2 3.4Å; R221-D225 IonicContact CZ-OD1 3.34Å; R221-D225 PolarHBondContact N-OD2 3.39Å; R221-D225 IonicContact NE-OD1 3.91Å; R221-D225 PolarHBondContact NE-OD1 3.09Å; R221-D225 IonicContact NE-OD2 3.73Å; R221-D225 PolarHBondContact NE-OD2 3.43Å; R221-D225 IonicContact NH2-OD1 3.32Å; R221-D225 PolarHBondContact NH2-OD1 3.19Å; R221-D225 IonicContact NH2-OD2 2.81Å; R221-D225 WeakPolarHBondContact O-CA 3.37Å; R221-D225 WeakPolarHBondContact O-CB 3.39Å; R221-D225 PolarHBondContact O-N 2.88Å
222L95Very high80.7Confident0 Ų051.4 Ų51.40%031%0.312CS..Iπ-helixtrans-51-46-177.2-73.9173.2000111.4T91 L95 Y184 F186 L194 Q224 V226 F227T91-L222 WeakPolarHBondContact O-CD1 3.39Å; T91-L222 PolarHBondContact OG1-N 3.3Å; L95-L222 HydrophobicContact CD1-CD1 3.98Å; L95-L222 HydrophobicContact CD1-CD2 4.29Å; Y184-L222 HydrophobicContact CE2-CD1 4.43Å; F186-L222 HydrophobicContact CE2-CD1 4.49Å; F186-L222 HydrophobicContact CZ-CD1 4.43Å; L194-L222 HydrophobicContact CD1-CD2 4.08Å; L194-L222 HydrophobicContact CD2-CD2 4.46Å; L222-Q224 PolarHBondContact O-N 3.2Å; L222-V226 HydrophobicContact CD2-CG2 4.31Å; L222-V226 CarbonylContact O-C 3.59Å; L222-V226 WeakPolarHBondContact O-CA 3.3Å; L222-V226 WeakPolarHBondContact O-CB 3.48Å; L222-V226 PolarHBondContact O-N 2.86Å; L222-F227 HydrophobicContact CB-CE2 4.03Å; L222-F227 HydrophobicContact CB-CZ 4.02Å; L222-F227 WeakPolarHBondContact O-CG 3.39Å; L222-F227 PolarHBondContact O-N 3.06Å
223E94.6Very high83.2Confident23 Ų2353.2 Ų53.211%0.10730%0.299CS..Iπ-helixtrans-66-43.9-174.2-5886.2169.200112.3T91 Y167 E169 R221 S228T91-E223 PolarHBondContact OG1-OE2 2.95Å; Y167-E223 WeakPolarHBondContact CD1-O 3.49Å; Y167-E223 HydrophobicContact CE1-CB 3.89Å; Y167-E223 VanDerWaalsContact CE1-O 3.31Å; Y167-E223 WeakPolarHBondContact CE1-O 3.12Å; Y167-E223 WeakPolarHBondContact OH-CB 3.43Å; Y167-E223 WeakPolarHBondContact OH-CG 3.19Å; E169-E223 HydrophobicContact CB-CB 4.37Å; E169-E223 HydrophobicContact CG-CB 4.18Å; E169-E223 WeakPolarHBondContact OE2-CB 3.41Å; R221-E223 PolarHBondContact O-N 3.13Å; E223-S228 PolarHBondContact O-N 2.96Å; E223-S228 PolarHBondContact O-OG 3.49Å
224Q92.4Very high85.7Confident84 Ų8447.8 Ų47.839%0.39328%0.279SS..Iπ-helixtrans-95-39.5-170.1-69.6163.2-22.800112.5E169 R221 L222 S228E169-Q224 HydrophobicContact CB-CG 3.98Å; E169-Q224 HydrophobicContact CG-CG 4.06Å; R221-Q224 HydrophobicContact CB-CB 4.21Å; R221-Q224 VanDerWaalsContact NE-OE1 3.15Å; R221-Q224 PolarHBondContact O-N 2.98Å; L222-Q224 PolarHBondContact O-N 3.2Å; Q224-S228 WeakPolarHBondContact O-CB 3.34Å
225D93.8Very high88Confident22 Ų2240.9 Ų40.912%0.11826%0.255CS..Iπ-helixtrans-96.6-23-172.2-48.9-34.7000112.2V197 R221V197-D225 HydrophobicContact CG1-CB 3.72Å; V197-D225 HydrophobicContact CG2-CB 4.47Å; V197-D225 WeakPolarHBondContact CG2-O 3.33Å; R221-D225 WeakPolarHBondContact CB-OD2 3.4Å; R221-D225 IonicContact CZ-OD1 3.34Å; R221-D225 PolarHBondContact N-OD2 3.39Å; R221-D225 IonicContact NE-OD1 3.91Å; R221-D225 PolarHBondContact NE-OD1 3.09Å; R221-D225 IonicContact NE-OD2 3.73Å; R221-D225 PolarHBondContact NE-OD2 3.43Å; R221-D225 IonicContact NH2-OD1 3.32Å; R221-D225 PolarHBondContact NH2-OD1 3.19Å; R221-D225 IonicContact NH2-OD2 2.81Å; R221-D225 WeakPolarHBondContact O-CA 3.37Å; R221-D225 WeakPolarHBondContact O-CB 3.39Å; R221-D225 PolarHBondContact O-N 2.88Å
226V96.4Very high90.4Very high1 Ų136.3 Ų36.31%0.00623%0.226CC..Iπ-helixtrans-111.9-63.1-177.9-173.80000111.6F137 P193 L194 V197 I220 L222 A229 L230F137-V226 HydrophobicContact CE1-CG1 4.13Å; F137-V226 HydrophobicContact CE2-CG1 4.48Å; F137-V226 HydrophobicContact CZ-CG1 3.84Å; P193-V226 HydrophobicContact CB-CG1 4.26Å; L194-V226 HydrophobicContact CD1-CG1 4.2Å; L194-V226 HydrophobicContact CD1-CG2 4.02Å; V197-V226 HydrophobicContact CG2-CG2 4.17Å; I220-V226 HydrophobicContact CG2-CG2 4.05Å; L222-V226 HydrophobicContact CD2-CG2 4.31Å; L222-V226 CarbonylContact O-C 3.59Å; L222-V226 WeakPolarHBondContact O-CA 3.3Å; L222-V226 WeakPolarHBondContact O-CB 3.48Å; L222-V226 PolarHBondContact O-N 2.86Å; V226-A229 PolarHBondContact O-N 3.36Å; V226-A229 VanDerWaalsContact O-N 3.16Å; V226-L230 HydrophobicContact CG1-CD1 3.7Å; V226-L230 HydrophobicContact CG1-CG 4.46Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 WeakPolarHBondContact O-CG 3.28Å; V226-L230 PolarHBondContact O-N 2.98Å
227F97.2Very high92.4Very high0 Ų035.6 Ų35.60%021%0.211CC..Iπ-helixtrans-65.3-46.3-173-59.2-23.1000112.7F137 L139 Y167 Y184 F186 L222 A229 L230 A231 I236F137-F227 AromaticContact CD1-CE1 3.79Å; F137-F227 HydrophobicContact CD1-CE1 3.79Å; F137-F227 HydrophobicContact CE1-CE1 4.24Å; F137-F227 HydrophobicContact CG-CE1 4.4Å; L139-F227 HydrophobicContact CD1-CE1 4.17Å; L139-F227 HydrophobicContact CD1-CZ 4.14Å; L139-F227 HydrophobicContact CD2-CD2 4.06Å; L139-F227 HydrophobicContact CD2-CE2 4.06Å; L139-F227 HydrophobicContact CD2-CG 4.43Å; L139-F227 HydrophobicContact CD2-CZ 4.41Å; L139-F227 HydrophobicContact CG-CE2 4.36Å; L139-F227 HydrophobicContact CG-CZ 4.34Å; Y167-F227 HydrophobicContact CD1-CB 3.94Å; Y167-F227 HydrophobicContact CD2-CB 4.02Å; Y167-F227 HydrophobicContact CD2-CD2 4.5Å; Y167-F227 HydrophobicContact CE1-CB 4.24Å; Y167-F227 HydrophobicContact CE2-CB 4.29Å; Y167-F227 HydrophobicContact CE2-CD2 4.01Å; Y167-F227 HydrophobicContact CG-CB 3.85Å; Y184-F227 HydrophobicContact CD1-CE2 4.45Å; Y184-F227 HydrophobicContact CD1-CZ 4.19Å; Y184-F227 AromaticContact CE1-CE2 3.8Å; Y184-F227 HydrophobicContact CE1-CE2 3.8Å; Y184-F227 AromaticContact CE1-CZ 3.99Å; Y184-F227 HydrophobicContact CE1-CZ 3.99Å; Y184-F227 AromaticContact CZ-CE2 3.96Å; F186-F227 HydrophobicContact CE1-CZ 4.42Å; F186-F227 HydrophobicContact CZ-CE1 4.35Å; F186-F227 HydrophobicContact CZ-CZ 4.09Å; L222-F227 HydrophobicContact CB-CE2 4.03Å; L222-F227 HydrophobicContact CB-CZ 4.02Å; L222-F227 WeakPolarHBondContact O-CG 3.39Å; L222-F227 PolarHBondContact O-N 3.06Å; F227-A229 PolarHBondContact O-N 2.91Å; F227-L230 PolarHBondContact O-N 3.01Å; F227-A231 WeakPolarHBondContact O-CB 3.23Å; F227-A231 PolarHBondContact O-N 3.38Å; F227-I236 HydrophobicContact CB-CD1 4.09Å; F227-I236 HydrophobicContact CD1-CD1 3.87Å; F227-I236 HydrophobicContact CG-CD1 4.35Å
228S95.3Very high94.3Very high50 Ų5034 Ų3435%0.3520%0.197SC..Hα-helixtrans-59.1-32.8175.5-58.30000112.4E223 Q224E223-S228 PolarHBondContact O-N 2.96Å; E223-S228 PolarHBondContact O-OG 3.49Å; Q224-S228 WeakPolarHBondContact O-CB 3.34Å
229A95.3Very high95.5Very high51 Ų5136 Ų3642%0.42121%0.206SC..Hα-helixtrans-80.4-37.1-178.900000113V226 F227 Q233V226-A229 PolarHBondContact O-N 3.36Å; V226-A229 VanDerWaalsContact O-N 3.16Å; F227-A229 PolarHBondContact O-N 2.91Å; A229-Q233 PolarHBondContact O-NE2 3.45Å
230L96.9Very high96Very high18 Ų1837.1 Ų37.19%0.09421%0.21CC..Hα-helixtrans-93.1-9.6-174.5-63.5179.3000114.3F137 P193 V226 F227 G232 Q233 I236F137-L230 HydrophobicContact CD2-CD1 4.21Å; F137-L230 HydrophobicContact CE2-CD1 3.56Å; F137-L230 HydrophobicContact CZ-CD1 4.15Å; P193-L230 HydrophobicContact CB-CD1 3.79Å; P193-L230 HydrophobicContact CG-CD1 3.72Å; V226-L230 HydrophobicContact CG1-CD1 3.7Å; V226-L230 HydrophobicContact CG1-CG 4.46Å; V226-L230 WeakPolarHBondContact O-CB 3.36Å; V226-L230 WeakPolarHBondContact O-CG 3.28Å; V226-L230 PolarHBondContact O-N 2.98Å; F227-L230 PolarHBondContact O-N 3.01Å; L230-G232 PolarHBondContact O-N 3.39Å; L230-Q233 VanDerWaalsContact O-CB 3.32Å; L230-Q233 WeakPolarHBondContact O-CB 3.31Å; L230-Q233 WeakPolarHBondContact O-CG 3.45Å; L230-Q233 PolarHBondContact O-N 2.97Å; L230-Q233 VanDerWaalsContact O-N 3.14Å; L230-I236 HydrophobicContact CB-CD1 3.61Å; L230-I236 HydrophobicContact CB-CG1 4.03Å
231A97.2Very high96.1Very high20 Ų2038 Ų3817%0.16522%0.215CC..THydrogen-bonded Turntrans-56.5135.3175.700000110.9V164 L165 F227 Q233V164-A231 HydrophobicContact CG1-CB 4.25Å; V164-A231 CarbonylContact O-C 3.47Å; V164-A231 WeakPolarHBondContact O-CA 3.48Å; L165-A231 CarbonylContact O-C 3.54Å; F227-A231 WeakPolarHBondContact O-CB 3.23Å; F227-A231 PolarHBondContact O-N 3.38Å; A231-Q233 VanDerWaalsContact C-N 3.31Å; A231-Q233 PolarHBondContact O-N 2.85Å
232G96.6Very high96.1Very high44 Ų4440.2 Ų40.245%0.45424%0.235SC..THydrogen-bonded Turntrans76.210.4-176.800000115.4V164 L165 L230V164-G232 PolarHBondContact O-N 3.35Å; L165-G232 PolarHBondContact O-N 2.83Å; L230-G232 PolarHBondContact O-N 3.39Å
233Q96.7Very high96Very high117 Ų11741.4 Ų41.455%0.54725%0.247SC..THydrogen-bonded Turntrans-105.713178.2-54.1-173.913.700113.8A229 L230 A231 Q235A229-Q233 PolarHBondContact O-NE2 3.45Å; L230-Q233 VanDerWaalsContact O-CB 3.32Å; L230-Q233 WeakPolarHBondContact O-CB 3.31Å; L230-Q233 WeakPolarHBondContact O-CG 3.45Å; L230-Q233 PolarHBondContact O-N 2.97Å; L230-Q233 VanDerWaalsContact O-N 3.14Å; A231-Q233 VanDerWaalsContact C-N 3.31Å; A231-Q233 PolarHBondContact O-N 2.85Å; Q233-Q235 VanDerWaalsContact C-N 3.28Å; Q233-Q235 PolarHBondContact O-N 3.3Å
234G95.8Very high95.9Very high34 Ų3442.4 Ų42.435%0.35125%0.253SS..THydrogen-bonded Turntrans68.720.7-178.600000114.9E163E163-G234 WeakPolarHBondContact OE1-CA 3.45Å; E163-G234 PolarHBondContact OE1-N 2.84Å
235Q96.2Very high96Very high63 Ų6340.2 Ų40.229%0.29424%0.241SC..  trans-110.5-23.4-177.6-64.3-161.7-20.900114.5P136 F137 Q233P136-Q235 WeakPolarHBondContact CD-O 3.38Å; P136-Q235 HydrophobicContact CG-CB 4.4Å; F137-Q235 PolarHBondContact N-O 2.91Å; Q233-Q235 VanDerWaalsContact C-N 3.28Å; Q233-Q235 PolarHBondContact O-N 3.3Å
236I98.1Very high96Very high1 Ų139.4 Ų39.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-116.6128.8-174-54.1-176.2000108.7F137 L139 V164 F227 L230F137-I236 HydrophobicContact CB-CB 4.46Å; F137-I236 HydrophobicContact CB-CG1 4.12Å; F137-I236 HydrophobicContact CB-CG2 4.3Å; F137-I236 HydrophobicContact CD2-CG1 4.12Å; F137-I236 HydrophobicContact CG-CG1 4.36Å; L139-I236 HydrophobicContact CD1-CG2 3.58Å; L139-I236 HydrophobicContact CD2-CG2 4.09Å; L139-I236 HydrophobicContact CG-CG2 4.42Å; V164-I236 HydrophobicContact CB-CB 4.02Å; V164-I236 HydrophobicContact CB-CG2 3.75Å; V164-I236 HydrophobicContact CG1-CG2 4.35Å; V164-I236 HydrophobicContact CG2-CB 4.34Å; V164-I236 HydrophobicContact CG2-CG2 3.62Å; V164-I236 PolarHBondContact N-O 2.98Å; F227-I236 HydrophobicContact CB-CD1 4.09Å; F227-I236 HydrophobicContact CD1-CD1 3.87Å; F227-I236 HydrophobicContact CG-CD1 4.35Å; L230-I236 HydrophobicContact CB-CD1 3.61Å; L230-I236 HydrophobicContact CB-CG1 4.03Å
237Y98.3Very high95.7Very high26 Ų2640.8 Ų40.810%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-127.9157.7177.5-68.5-101.4000109.6H135 F137 L138 L139 T161 H162 E163H135-Y237 HydrophobicContact CB-CD2 3.83Å; H135-Y237 HydrophobicContact CB-CG 4.36Å; H135-Y237 AromaticContact CE1-CD1 3.35Å; H135-Y237 WeakPolarHBondContact CE1-CD1 3.46Å; H135-Y237 AromaticContact CE1-CD2 3.55Å; H135-Y237 AromaticContact CE1-CE1 3.55Å; H135-Y237 AromaticContact CE1-CE2 3.72Å; H135-Y237 AromaticContact CE1-CG 3.35Å; H135-Y237 AromaticContact CE1-CZ 3.72Å; H135-Y237 AromaticContact CG-CD2 3.48Å; H135-Y237 VanDerWaalsContact CG-CD2 3.48Å; H135-Y237 AromaticContact CG-CG 3.69Å; H135-Y237 AromaticContact ND1-CD1 3.71Å; H135-Y237 AromaticContact ND1-CD2 2.95Å; H135-Y237 WeakPolarHBondContact ND1-CD2 3.23Å; H135-Y237 AromaticContact ND1-CE1 3.88Å; H135-Y237 AromaticContact ND1-CE2 3.14Å; H135-Y237 WeakPolarHBondContact ND1-CE2 3.26Å; H135-Y237 AromaticContact ND1-CG 3.25Å; H135-Y237 VanDerWaalsContact ND1-CG 3.25Å; H135-Y237 AromaticContact ND1-CZ 3.61Å; H135-Y237 AromaticContact NE2-CD1 4Å; H135-Y237 AromaticContact NE2-CG 3.89Å; F137-Y237 PolarHBondContact O-N 3.23Å; L138-Y237 WeakPolarHBondContact CA-O 3.47Å; L139-Y237 PolarHBondContact N-O 2.93Å; T161-Y237 WeakPolarHBondContact O-CD1 3.32Å; H162-Y237 CarbonylContact O-C 3.54Å; H162-Y237 VanDerWaalsContact O-CA 3.23Å; H162-Y237 WeakPolarHBondContact O-CA 3.29Å; E163-Y237 HydrophobicContact CB-CD1 4.15Å; E163-Y237 HydrophobicContact CB-CE1 3.81Å; E163-Y237 HydrophobicContact CG-CE1 4.43Å
238V98.4Very high95.4Very high5 Ų540.8 Ų40.83%0.0324%0.244CC..EExtended strand (participates in β ladder)trans-118.4139.1177.864.70000110.6L139 I155 E157 H162 V164 L240L139-V238 CarbonylContact O-C 3.57Å; L139-V238 VanDerWaalsContact O-CA 3.32Å; L139-V238 WeakPolarHBondContact O-CA 3.34Å; I155-V238 HydrophobicContact CD1-CG2 4.08Å; I155-V238 HydrophobicContact CG2-CB 4.4Å; I155-V238 HydrophobicContact CG2-CG1 4.3Å; E157-V238 HydrophobicContact CB-CG1 3.84Å; E157-V238 HydrophobicContact CG-CG1 4.49Å; E157-V238 WeakPolarHBondContact OE2-CG1 3.49Å; H162-V238 HydrophobicContact CB-CG1 4.35Å; H162-V238 WeakPolarHBondContact CB-O 3.39Å; H162-V238 PolarHBondContact O-N 3.2Å; V164-V238 HydrophobicContact CG2-CB 4.05Å; V164-V238 HydrophobicContact CG2-CG1 4.37Å; V238-L240 HydrophobicContact CG1-CD2 4.34Å; V238-L240 HydrophobicContact CG2-CD2 3.97Å
239H98.1Very high94.8Very high44 Ų4441.6 Ų41.620%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-104.1116166.1-173.885000107.3M126 L138 L139 L140 G141M126-H239 HydrophobicContact CG-CB 4.24Å; L138-H239 HydrophobicContact CD1-CB 4.11Å; L138-H239 HydrophobicContact CD2-CB 4.5Å; L138-H239 HydrophobicContact CG-CB 4.34Å; L139-H239 PolarHBondContact O-N 3.33Å; L140-H239 WeakPolarHBondContact CA-O 3.39Å; G141-H239 PolarHBondContact N-O 2.83Å
240L97.7Very high94.2Very high66 Ų6641 Ų4135%0.34623%0.233SC..EExtended strand (participates in β ladder)trans-82.1141.7-179.6-61.8179.1000111.2G141 E157 I178 V238G141-L240 CarbonylContact O-C 3.51Å; G141-L240 WeakPolarHBondContact O-CA 3.26Å; E157-L240 WeakPolarHBondContact OE1-CD1 3.34Å; I178-L240 HydrophobicContact CD1-CD2 4.12Å; I178-L240 HydrophobicContact CG1-CD2 4.3Å; I178-L240 HydrophobicContact CG2-CD2 3.64Å; V238-L240 HydrophobicContact CG1-CD2 4.34Å; V238-L240 HydrophobicContact CG2-CD2 3.97Å
241T95.4Very high93.4Very high19 Ų1940.6 Ų40.612%0.11723%0.233CC..  trans-134139.6173.7-168.90000111.8L140 G141 T142 G243L140-T241 HydrophobicContact CD1-CG2 3.74Å; L140-T241 HydrophobicContact CD2-CG2 4.14Å; L140-T241 HydrophobicContact CG-CG2 3.95Å; G141-T241 PolarHBondContact O-N 3.11Å; T142-T241 WeakPolarHBondContact CB-O 3.41Å; T142-T241 PolarHBondContact OG1-O 2.79Å; T241-G243 VanDerWaalsContact C-N 3.29Å; T241-G243 PolarHBondContact OG1-N 2.85Å
242D93.3Very high92.7Very high157 Ų15740.8 Ų40.884%0.8424%0.237SC*.  trans-959.6166.7-58.4-43.8000111.6
243G92.1Very high92.2Very high24 Ų2439.4 Ų39.425%0.24722%0.22CC..SBendtrans-70.4179-179.600000113.7D120 T241 W245D120-G243 WeakPolarHBondContact OD2-CA 3.44Å; T241-G243 VanDerWaalsContact C-N 3.29Å; T241-G243 PolarHBondContact OG1-N 2.85Å; G243-W245 PolarHBondContact O-N 3.13Å
244I92.9Very high91.9Very high45 Ų4533.9 Ų33.923%0.23119%0.194CC..  trans-68.7130178.1-65.4175.2000109.1S119 D120 L260 R264S119-I244 WeakPolarHBondContact CA-O 3.23Å; S119-I244 PolarHBondContact OG-O 3.14Å; D120-I244 HydrophobicContact CB-CB 4.5Å; D120-I244 PolarHBondContact N-O 3.49Å; D120-I244 PolarHBondContact OD2-N 2.91Å; D120-I244 VanDerWaalsContact OD2-N 3.08Å; I244-L260 HydrophobicContact CG2-CB 3.96Å; I244-L260 HydrophobicContact CG2-CD1 3.66Å; I244-L260 HydrophobicContact CG2-CD2 4.18Å; I244-L260 HydrophobicContact CG2-CG 4.14Å; I244-R264 HydrophobicContact CD1-CB 4.46Å
245W94.8Very high91.7Very high38 Ų3832.6 Ų32.614%0.14418%0.18CC..EExtended strand (participates in β ladder)trans-148.3137.9170.8-175.185.8000112.9C118 T142 Y152 I179 C181 G243C118-W245 CarbonylContact O-C 3.52Å; C118-W245 VanDerWaalsContact O-CA 3.27Å; C118-W245 WeakPolarHBondContact O-CA 3Å; T142-W245 HydrophobicContact CG2-CB 4.26Å; T142-W245 HydrophobicContact CG2-CD2 4.24Å; T142-W245 HydrophobicContact CG2-CE3 4.1Å; T142-W245 HydrophobicContact CG2-CG 4.33Å; Y152-W245 AromaticContact CD1-CH2 3.75Å; Y152-W245 HydrophobicContact CD1-CH2 3.75Å; Y152-W245 HydrophobicContact CD2-CH2 4.45Å; Y152-W245 AromaticContact CE1-CH2 3.53Å; Y152-W245 HydrophobicContact CE1-CH2 3.53Å; Y152-W245 HydrophobicContact CE1-CZ2 4.5Å; Y152-W245 HydrophobicContact CE1-CZ3 4.22Å; Y152-W245 HydrophobicContact CE2-CH2 4.26Å; Y152-W245 HydrophobicContact CE2-CZ3 4.25Å; Y152-W245 HydrophobicContact CG-CH2 4.22Å; Y152-W245 AromaticContact CZ-CH2 3.79Å; I179-W245 HydrophobicContact CD1-CE3 3.99Å; I179-W245 HydrophobicContact CD1-CH2 3.65Å; I179-W245 HydrophobicContact CD1-CZ3 3.32Å; C181-W245 VanDerWaalsContact CA-NE1 3.3Å; C181-W245 HydrophobicContact CB-CG 4.36Å; C181-W245 VanDerWaalsContact CB-NE1 3.33Å; C181-W245 PolarHBondContact O-NE1 3.05Å; G243-W245 PolarHBondContact O-N 3.13Å
246S92.4Very high91.4Very high5 Ų533 Ų334%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-161.4163.8164.164.10000111.5C118C118-S246 WeakPolarHBondContact CB-OG 3.29Å; C118-S246 PolarHBondContact N-O 3.18Å; C118-S246 PolarHBondContact O-N 2.78Å
247Q90.8Very high91.2Very high29 Ų2933 Ų3314%0.13618%0.179CC..EExtended strand (participates in β ladder)trans-103.6133.6174.7-161.9172.75.600111.9D116 Y152 K249 S253D116-Q247 CarbonylContact O-C 3.59Å; D116-Q247 WeakPolarHBondContact O-CA 3.45Å; D116-Q247 WeakPolarHBondContact O-CG 3.43Å; D116-Q247 PolarHBondContact OD2-NE2 3.23Å; Y152-Q247 HydrophobicContact CE1-CB 4.4Å; Q247-K249 VanDerWaalsContact CD-CD 3.49Å; Q247-K249 VanDerWaalsContact CD-NZ 3.28Å; Q247-K249 HydrophobicContact CG-CD 4.07Å; Q247-K249 HydrophobicContact CG-CG 3.97Å; Q247-K249 PolarHBondContact O-N 3.34Å; Q247-K249 VanDerWaalsContact OE1-CE 3.24Å; Q247-S253 WeakPolarHBondContact O-CB 3.41Å
248I90.3Very high91.1Very high1 Ų131.9 Ų31.91%0.00518%0.175CC..  trans-95.577.6179.2-55.7164.7000109F17 K26 V31 M36 D116 C118 S253 A254 A257F17-I248 HydrophobicContact CE2-CG2 3.67Å; F17-I248 HydrophobicContact CZ-CG2 3.53Å; K26-I248 WeakPolarHBondContact CE-O 3.4Å; K26-I248 PolarHBondContact NZ-O 2.99Å; V31-I248 HydrophobicContact CG2-CD1 4.42Å; M36-I248 HydrophobicContact CE-CB 3.68Å; M36-I248 HydrophobicContact CE-CD1 3.68Å; M36-I248 HydrophobicContact CE-CG1 4.29Å; M36-I248 HydrophobicContact CE-CG2 3.69Å; M36-I248 HydrophobicContact CG-CD1 4.17Å; M36-I248 HydrophobicContact SD-CB 4.4Å; M36-I248 HydrophobicContact SD-CD1 4.2Å; M36-I248 HydrophobicContact SD-CG2 3.78Å; D116-I248 PolarHBondContact O-N 3.01Å; C118-I248 HydrophobicContact CB-CD1 3.88Å; C118-I248 HydrophobicContact CB-CG1 4.06Å; I248-S253 WeakPolarHBondContact CA-OG 3.48Å; I248-A254 HydrophobicContact CG2-CB 4.14Å; I248-A257 HydrophobicContact CD1-CB 3.67Å; I248-A257 HydrophobicContact CG1-CB 3.62Å
249K83.9Confident91Very high67 Ų6734.6 Ų34.629%0.29119%0.185SC..  trans-97.3-22.8-179.2-91.3168164.1153.40114.2R16 Q247 S253R16-K249 VanDerWaalsContact CB-O 3.29Å; R16-K249 WeakPolarHBondContact CB-O 3.38Å; Q247-K249 VanDerWaalsContact CD-CD 3.49Å; Q247-K249 VanDerWaalsContact CD-NZ 3.28Å; Q247-K249 HydrophobicContact CG-CD 4.07Å; Q247-K249 HydrophobicContact CG-CG 3.97Å; Q247-K249 PolarHBondContact O-N 3.34Å; Q247-K249 VanDerWaalsContact OE1-CE 3.24Å; K249-S253 PolarHBondContact N-OG 2.77Å
250S82.6Confident90.9Very high37 Ų3734 Ų3426%0.25918%0.182SC..SBendtrans-138.2166.8-177.7680000111.9F17 G252 S253 A254F17-S250 WeakPolarHBondContact CE2-O 3.31Å; S250-G252 VanDerWaalsContact C-N 3.28Å; S250-G252 PolarHBondContact O-N 3.09Å; S250-S253 PolarHBondContact N-OG 2.96Å; S250-S253 PolarHBondContact O-N 3.39Å; S250-S253 VanDerWaalsContact O-N 3.17Å; S250-S253 PolarHBondContact O-OG 2.83Å; S250-S253 PolarHBondContact OG-N 3.34Å; S250-S253 PolarHBondContact OG-OG 2.73Å; S250-A254 PolarHBondContact O-N 2.8Å; S250-A254 VanDerWaalsContact O-N 3.13Å
251A79.5Confident90.9Very high11 Ų1131.4 Ų31.49%0.09117%0.168CC..Hα-helixtrans-53.6-43.8172.600000112.4L20 S253 A254 L255 I340L20-A251 HydrophobicContact CD1-CB 4.11Å; A251-S253 PolarHBondContact O-N 3.43Å; A251-A254 WeakPolarHBondContact O-CB 3.32Å; A251-A254 PolarHBondContact O-N 3.38Å; A251-L255 PolarHBondContact O-N 3.4Å; A251-I340 HydrophobicContact CB-CD1 4.03Å; A251-I340 WeakPolarHBondContact O-CD1 3.42Å
252G82.9Confident91Very high24 Ų2430.5 Ų30.525%0.24716%0.163CC..Hα-helixtrans-60.6-42.3177.200000113.1S250 A254 L255 Y256S250-G252 VanDerWaalsContact C-N 3.28Å; S250-G252 PolarHBondContact O-N 3.09Å; G252-A254 PolarHBondContact O-N 3.02Å; G252-L255 WeakPolarHBondContact O-CB 3.34Å; G252-L255 PolarHBondContact O-N 2.86Å; G252-Y256 PolarHBondContact O-N 3.17Å
253S85.9Confident91.2Very high15 Ų1525.8 Ų25.811%0.10514%0.142CC..Hα-helixtrans-65.9-24.9174.861.20000113.3Q247 I248 K249 S250 A251 Y256 A257Q247-S253 WeakPolarHBondContact O-CB 3.41Å; I248-S253 WeakPolarHBondContact CA-OG 3.48Å; K249-S253 PolarHBondContact N-OG 2.77Å; S250-S253 PolarHBondContact N-OG 2.96Å; S250-S253 PolarHBondContact O-N 3.39Å; S250-S253 VanDerWaalsContact O-N 3.17Å; S250-S253 PolarHBondContact O-OG 2.83Å; S250-S253 PolarHBondContact OG-N 3.34Å; S250-S253 PolarHBondContact OG-OG 2.73Å; A251-S253 PolarHBondContact O-N 3.43Å; S253-Y256 PolarHBondContact O-N 3.36Å; S253-A257 WeakPolarHBondContact O-CB 3.42Å; S253-A257 PolarHBondContact O-N 3.03Å
254A90.3Very high91.3Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-69.1-37.817500000112.1F17 F29 I248 S250 A251 G252 Y256 A257 S258 I323 I340F17-A254 HydrophobicContact CE1-CB 4.36Å; F17-A254 HydrophobicContact CZ-CB 3.76Å; F29-A254 HydrophobicContact CD1-CB 4.4Å; F29-A254 HydrophobicContact CE1-CB 3.78Å; I248-A254 HydrophobicContact CG2-CB 4.14Å; S250-A254 PolarHBondContact O-N 2.8Å; S250-A254 VanDerWaalsContact O-N 3.13Å; A251-A254 WeakPolarHBondContact O-CB 3.32Å; A251-A254 PolarHBondContact O-N 3.38Å; G252-A254 PolarHBondContact O-N 3.02Å; A254-Y256 VanDerWaalsContact C-N 3.34Å; A254-A257 PolarHBondContact O-N 3.37Å; A254-S258 VanDerWaalsContact O-CB 3.3Å; A254-S258 WeakPolarHBondContact O-CB 3.4Å; A254-S258 PolarHBondContact O-N 2.73Å; A254-I323 HydrophobicContact CB-CD1 4.44Å; A254-I340 HydrophobicContact CB-CD1 4.33Å
255L91.1Very high91.5Very high8 Ų826.7 Ų26.74%0.04214%0.135CC..Hα-helixtrans-61.1-44.9172.5-70.6172.7000111A251 G252 S258 R259 I323 H338 I340 L360A251-L255 PolarHBondContact O-N 3.4Å; G252-L255 WeakPolarHBondContact O-CB 3.34Å; G252-L255 PolarHBondContact O-N 2.86Å; L255-S258 PolarHBondContact O-N 2.98Å; L255-R259 PolarHBondContact O-N 3.43Å; L255-I323 HydrophobicContact CD2-CB 4.47Å; L255-I323 HydrophobicContact CD2-CD1 3.97Å; L255-I323 HydrophobicContact CD2-CG1 3.9Å; L255-H338 WeakPolarHBondContact CD1-O 3.36Å; L255-I340 HydrophobicContact CD1-CG1 4.31Å; L255-I340 HydrophobicContact CD2-CD1 4.38Å; L255-I340 HydrophobicContact CD2-CG1 3.72Å; L255-I340 HydrophobicContact CG-CD1 4.18Å; L255-I340 HydrophobicContact CG-CG1 3.88Å; L255-L360 HydrophobicContact CB-CD2 4.32Å; L255-L360 HydrophobicContact CD1-CD2 4.41Å
256Y90.6Very high91.5Very high72 Ų7229.7 Ų29.728%0.28215%0.151SC..Hα-helixtrans-62.2-48.2176.9-177.6-105000111.9G252 S253 A254 S258 R259 L260G252-Y256 PolarHBondContact O-N 3.17Å; S253-Y256 PolarHBondContact O-N 3.36Å; A254-Y256 VanDerWaalsContact C-N 3.34Å; Y256-S258 VanDerWaalsContact C-N 3.32Å; Y256-S258 PolarHBondContact O-N 2.79Å; Y256-R259 WeakPolarHBondContact O-CB 3.34Å; Y256-R259 PolarHBondContact O-N 3.32Å; Y256-L260 HydrophobicContact CD1-CD1 3.75Å; Y256-L260 HydrophobicContact CD1-CG 4.42Å; Y256-L260 HydrophobicContact CE1-CD1 3.29Å; Y256-L260 HydrophobicContact CE1-CG 4.07Å; Y256-L260 WeakPolarHBondContact O-CG 3.45Å; Y256-L260 PolarHBondContact O-N 2.88Å; Y256-L260 VanDerWaalsContact O-N 3.08Å
257A94.6Very high91.6Very high0 Ų036.1 Ų36.10%019%0.185CC..Hα-helixtrans-60.9-40.6175.700000112.2V31 C118 I248 S253 A254 R259 L260 Y261V31-A257 HydrophobicContact CG1-CB 3.87Å; C118-A257 HydrophobicContact CB-CB 3.76Å; I248-A257 HydrophobicContact CD1-CB 3.67Å; I248-A257 HydrophobicContact CG1-CB 3.62Å; S253-A257 WeakPolarHBondContact O-CB 3.42Å; S253-A257 PolarHBondContact O-N 3.03Å; A254-A257 PolarHBondContact O-N 3.37Å; A257-R259 VanDerWaalsContact C-N 3.31Å; A257-R259 PolarHBondContact O-N 2.94Å; A257-L260 PolarHBondContact O-N 2.86Å; A257-Y261 WeakPolarHBondContact O-CD2 3.47Å; A257-Y261 PolarHBondContact O-N 2.93Å
258S96Very high91.8Very high3 Ų337.5 Ų37.52%0.02120%0.195CC..Hα-helixtrans-62.2-39.7176.6-171.40000111.5A32 A254 L255 Y256 L262A32-S258 WeakPolarHBondContact CA-OG 3.33Å; A32-S258 PolarHBondContact N-OG 3.43Å; A32-S258 VanDerWaalsContact N-OG 3.11Å; A254-S258 VanDerWaalsContact O-CB 3.3Å; A254-S258 WeakPolarHBondContact O-CB 3.4Å; A254-S258 PolarHBondContact O-N 2.73Å; L255-S258 PolarHBondContact O-N 2.98Å; Y256-S258 VanDerWaalsContact C-N 3.32Å; Y256-S258 PolarHBondContact O-N 2.79Å; S258-L262 WeakPolarHBondContact O-CB 3.13Å; S258-L262 WeakPolarHBondContact O-CD1 3.45Å; S258-L262 WeakPolarHBondContact O-CG 3.22Å; S258-L262 PolarHBondContact O-N 3.19Å
259R95.8Very high92Very high62 Ų6238.7 Ų38.723%0.23420%0.201CC..Hα-helixtrans-60.1-48173.4172.4-174.5-52151.24.7111.3L255 Y256 A257 L262 S263 N304 E321 L360L255-R259 PolarHBondContact O-N 3.43Å; Y256-R259 WeakPolarHBondContact O-CB 3.34Å; Y256-R259 PolarHBondContact O-N 3.32Å; A257-R259 VanDerWaalsContact C-N 3.31Å; A257-R259 PolarHBondContact O-N 2.94Å; R259-L262 PolarHBondContact O-N 3.08Å; R259-S263 WeakPolarHBondContact O-CB 3.38Å; R259-S263 PolarHBondContact O-N 3.41Å; R259-N304 HydrophobicContact CB-CB 4.19Å; R259-N304 HydrophobicContact CG-CB 4.29Å; R259-E321 IonicContact CZ-OE1 3.99Å; R259-E321 IonicContact CZ-OE2 3.04Å; R259-E321 IonicContact NE-OE1 3.5Å; R259-E321 PolarHBondContact NE-OE1 3.32Å; R259-E321 IonicContact NE-OE2 3.97Å; R259-E321 PolarHBondContact NE-OE2 2.86Å; R259-E321 IonicContact NH2-OE1 2.68Å; R259-E321 PolarHBondContact NH2-OE1 2.83Å; R259-E321 IonicContact NH2-OE2 3.24Å; R259-E321 PolarHBondContact NH2-OE2 2.82Å; R259-L360 VanDerWaalsContact NH2-CD1 3.32Å
260L96Very high92.6Very high30 Ų3038.4 Ų38.416%0.15721%0.206CC..Hα-helixtrans-60.4-48.7-178.7-68.9173.3000111.7I244 Y256 A257 S263 R264I244-L260 HydrophobicContact CG2-CB 3.96Å; I244-L260 HydrophobicContact CG2-CD1 3.66Å; I244-L260 HydrophobicContact CG2-CD2 4.18Å; I244-L260 HydrophobicContact CG2-CG 4.14Å; Y256-L260 HydrophobicContact CD1-CD1 3.75Å; Y256-L260 HydrophobicContact CD1-CG 4.42Å; Y256-L260 HydrophobicContact CE1-CD1 3.29Å; Y256-L260 HydrophobicContact CE1-CG 4.07Å; Y256-L260 WeakPolarHBondContact O-CG 3.45Å; Y256-L260 PolarHBondContact O-N 2.88Å; Y256-L260 VanDerWaalsContact O-N 3.08Å; A257-L260 PolarHBondContact O-N 2.86Å; L260-S263 WeakPolarHBondContact O-CB 3.33Å; L260-S263 PolarHBondContact O-N 3.2Å; L260-R264 PolarHBondContact O-N 2.79Å
261Y97.9Very high93.3Very high13 Ų1342.7 Ų42.75%0.05122%0.222CC..Hα-helixtrans-66.4-42.6177.6-75.9-56.5000112.8V31 A32 H39 C118 S119 F121 A257 S263 R264 Y265V31-Y261 HydrophobicContact CG1-CD2 3.8Å; V31-Y261 HydrophobicContact CG1-CE2 4.28Å; A32-Y261 VanDerWaalsContact CB-CB 3.48Å; H39-Y261 HydrophobicContact CB-CE1 4.18Å; H39-Y261 AromaticContact CD2-CE2 3.82Å; H39-Y261 AromaticContact CE1-CD1 3.76Å; H39-Y261 AromaticContact CE1-CD2 3.76Å; H39-Y261 AromaticContact CE1-CG 3.6Å; H39-Y261 AromaticContact CG-CE1 3.88Å; H39-Y261 AromaticContact CG-CE2 3.9Å; H39-Y261 AromaticContact CG-CZ 3.62Å; H39-Y261 AromaticContact ND1-CD1 3.6Å; H39-Y261 AromaticContact ND1-CE1 3.54Å; H39-Y261 AromaticContact ND1-CG 3.91Å; H39-Y261 AromaticContact ND1-CZ 3.75Å; H39-Y261 AromaticContact NE2-CD2 3.8Å; H39-Y261 AromaticContact NE2-CE2 3.91Å; C118-Y261 WeakPolarHBondContact CA-OH 3.47Å; C118-Y261 HydrophobicContact CB-CE2 4.05Å; C118-Y261 WeakPolarHBondContact SG-CE2 3.26Å; S119-Y261 PolarHBondContact N-OH 3.43Å; S119-Y261 WeakPolarHBondContact O-CE1 3.36Å; S119-Y261 PolarHBondContact O-OH 3.43Å; F121-Y261 WeakPolarHBondContact CE2-OH 3.48Å; A257-Y261 WeakPolarHBondContact O-CD2 3.47Å; A257-Y261 PolarHBondContact O-N 2.93Å; Y261-S263 PolarHBondContact O-N 2.99Å; Y261-R264 CarbonylContact O-C 3.56Å; Y261-R264 PolarHBondContact O-N 2.85Å; Y261-Y265 WeakPolarHBondContact O-CD1 3.33Å; Y261-Y265 PolarHBondContact O-N 3.46Å
262L97.6Very high94.1Very high0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-60.2-36.5175.4-75.7172.6000111.9A32 S258 R259 Y265 L273 N286 N304A32-L262 HydrophobicContact CB-CD2 4.06Å; A32-L262 HydrophobicContact CB-CG 3.82Å; S258-L262 WeakPolarHBondContact O-CB 3.13Å; S258-L262 WeakPolarHBondContact O-CD1 3.45Å; S258-L262 WeakPolarHBondContact O-CG 3.22Å; S258-L262 PolarHBondContact O-N 3.19Å; R259-L262 PolarHBondContact O-N 3.08Å; L262-Y265 HydrophobicContact CD2-CD2 4.33Å; L262-L273 HydrophobicContact CD2-CD2 3.97Å; L262-N286 HydrophobicContact CB-CB 3.83Å; L262-N286 WeakPolarHBondContact O-CB 3.27Å; L262-N286 VanDerWaalsContact O-CG 3.29Å; L262-N286 PolarHBondContact O-ND2 2.65Å; L262-N304 HydrophobicContact CD1-CB 4.48Å
263S96.6Very high94.8Very high58 Ų5843.8 Ų43.841%0.40622%0.217SC..Hα-helixtrans-64-46.8171.6-163.20000111.7R259 L260 Y261 Y265 Q266 N286R259-S263 WeakPolarHBondContact O-CB 3.38Å; R259-S263 PolarHBondContact O-N 3.41Å; L260-S263 WeakPolarHBondContact O-CB 3.33Å; L260-S263 PolarHBondContact O-N 3.2Å; Y261-S263 PolarHBondContact O-N 2.99Å; S263-Y265 VanDerWaalsContact C-N 3.28Å; S263-Y265 PolarHBondContact O-N 2.82Å; S263-Q266 WeakPolarHBondContact O-CB 3.48Å; S263-Q266 WeakPolarHBondContact O-CG 3.3Å; S263-Q266 PolarHBondContact O-N 2.86Å; S263-N286 WeakPolarHBondContact CA-ND2 2.94Å
264R95.1Very high95.3Very high83 Ų8344.2 Ų44.231%0.31322%0.222SC..Hα-helixtrans-67.1-27.2-178.5-168174.1-178.886.93.9113.4D120 I244 L260 Y261 Q266 D267 T268D120-R264 IonicContact OD2-NH1 3.6Å; D120-R264 PolarHBondContact OD2-NH1 3.45Å; I244-R264 HydrophobicContact CD1-CB 4.46Å; L260-R264 PolarHBondContact O-N 2.79Å; Y261-R264 CarbonylContact O-C 3.56Å; Y261-R264 PolarHBondContact O-N 2.85Å; R264-Q266 PolarHBondContact O-N 3.01Å; R264-D267 PolarHBondContact O-N 2.83Å; R264-D267 VanDerWaalsContact O-N 3.13Å; R264-T268 HydrophobicContact CG-CG2 3.95Å; R264-T268 PolarHBondContact O-N 2.91Å; R264-T268 PolarHBondContact O-OG1 3.34Å
265Y97.1Very high95.4Very high4 Ų451.6 Ų51.62%0.01625%0.254CS..Hα-helixtrans-62.1-20175-73.4-6.7000113.2A32 V34 H39 Y261 L262 S263 D267 H269 P270 R272 L273A32-Y265 HydrophobicContact CB-CE2 3.96Å; A32-Y265 VanDerWaalsContact O-CE2 3.25Å; A32-Y265 WeakPolarHBondContact O-CE2 3.41Å; A32-Y265 PolarHBondContact O-OH 3.43Å; V34-Y265 WeakPolarHBondContact CG2-OH 3.48Å; H39-Y265 AromaticContact CE1-CZ 4Å; H39-Y265 PolarHBondContact CE1-OH 3.43Å; Y261-Y265 WeakPolarHBondContact O-CD1 3.33Å; Y261-Y265 PolarHBondContact O-N 3.46Å; L262-Y265 HydrophobicContact CD2-CD2 4.33Å; S263-Y265 VanDerWaalsContact C-N 3.28Å; S263-Y265 PolarHBondContact O-N 2.82Å; Y265-D267 PolarHBondContact O-N 3.45Å; Y265-H269 HydrophobicContact CD1-CB 3.89Å; Y265-H269 AromaticContact CD1-ND1 3.94Å; Y265-H269 HydrophobicContact CE1-CB 4.37Å; Y265-H269 HydrophobicContact CG-CB 4.12Å; Y265-H269 CarbonylContact O-C 3.56Å; Y265-H269 PolarHBondContact O-N 3.4Å; Y265-P270 VanDerWaalsContact O-CA 3.32Å; Y265-P270 WeakPolarHBondContact O-CA 3.46Å; Y265-R272 HydrophobicContact CD2-CB 3.96Å; Y265-R272 HydrophobicContact CE2-CB 4.07Å; Y265-R272 PolarHBondContact OH-NH1 3.19Å; Y265-L273 HydrophobicContact CD2-CD2 4.12Å
266Q95.2Very high95.3Very high101 Ų10156.1 Ų56.147%0.47228%0.275SS..Hα-helixtrans-56.3-39.9172.5-67-177.6-7.100112S263 R264 L273 N286S263-Q266 WeakPolarHBondContact O-CB 3.48Å; S263-Q266 WeakPolarHBondContact O-CG 3.3Å; S263-Q266 PolarHBondContact O-N 2.86Å; R264-Q266 PolarHBondContact O-N 3.01Å; Q266-L273 HydrophobicContact CG-CD1 3.93Å; Q266-N286 VanDerWaalsContact CG-OD1 3.32Å; Q266-N286 WeakPolarHBondContact CG-OD1 3.43Å; Q266-N286 VanDerWaalsContact NE2-CG 3.26Å; Q266-N286 PolarHBondContact NE2-ND2 3.41Å; Q266-N286 PolarHBondContact NE2-OD1 3.34Å
267D94.4Very high95.3Very high140 Ų14056.3 Ų56.375%0.74928%0.284SS*.Hα-helixtrans-97.4-31.9-175.8-54-46.6000112.4R264 Y265R264-D267 PolarHBondContact O-N 2.83Å; R264-D267 VanDerWaalsContact O-N 3.13Å; Y265-D267 PolarHBondContact O-N 3.45Å
268T94Very high95.1Very high58 Ų5862.6 Ų62.636%0.35633%0.325SS..Hα-helixtrans-100.8-37.7-170.656.30000114.2R264R264-T268 HydrophobicContact CG-CG2 3.95Å; R264-T268 PolarHBondContact O-N 2.91Å; R264-T268 PolarHBondContact O-OG1 3.34Å
269H95.5Very high94.7Very high26 Ų2665.7 Ų65.712%0.1236%0.357CS..  trans-144.257.2-172.5-63.194.1000111.3E42 Y265 E271 R272E42-H269 IonicContact OE1-CD2 3.7Å; E42-H269 IonicContact OE1-CE1 3.72Å; E42-H269 IonicContact OE1-NE2 2.86Å; E42-H269 PolarHBondContact OE1-NE2 3.03Å; E42-H269 IonicContact OE2-CE1 3.45Å; E42-H269 IonicContact OE2-NE2 3.86Å; Y265-H269 HydrophobicContact CD1-CB 3.89Å; Y265-H269 AromaticContact CD1-ND1 3.94Å; Y265-H269 HydrophobicContact CE1-CB 4.37Å; Y265-H269 HydrophobicContact CG-CB 4.12Å; Y265-H269 CarbonylContact O-C 3.56Å; Y265-H269 PolarHBondContact O-N 3.4Å; H269-E271 WeakPolarHBondContact CA-OE1 3.45Å; H269-E271 VanDerWaalsContact CA-OE2 3.28Å; H269-E271 WeakPolarHBondContact CA-OE2 3.29Å; H269-E271 VanDerWaalsContact CB-OE1 3.3Å; H269-E271 WeakPolarHBondContact CB-OE1 3.49Å; H269-E271 IonicContact CD2-OE1 2.94Å; H269-E271 PolarHBondContact CD2-OE1 2.94Å; H269-E271 IonicContact CG-OE1 2.83Å; H269-E271 PolarHBondContact O-N 3.1Å; H269-E271 VanDerWaalsContact O-N 3.09Å; H269-R272 HydrophobicContact CB-CB 4.29Å; H269-R272 HydrophobicContact CB-CG 3.94Å; H269-R272 WeakPolarHBondContact O-CB 3.11Å; H269-R272 PolarHBondContact O-N 2.96Å
270P96.4Very high94.6Very high62 Ų6263.5 Ų63.540%0.40335%0.354SS..THydrogen-bonded Turntrans-62.7-19.1-175.425.9-35.4000112.7Y265 R272 L273Y265-P270 VanDerWaalsContact O-CA 3.32Å; Y265-P270 WeakPolarHBondContact O-CA 3.46Å; P270-R272 VanDerWaalsContact C-N 3.34Å; P270-L273 PolarHBondContact O-N 3.42Å
271E95.9Very high94.7Very high126 Ų12663 Ų6359%0.58935%0.352SS*.THydrogen-bonded Turntrans-70.2-23.9172.875.8-64.7153.800113.9H269 L273H269-E271 WeakPolarHBondContact CA-OE1 3.45Å; H269-E271 VanDerWaalsContact CA-OE2 3.28Å; H269-E271 WeakPolarHBondContact CA-OE2 3.29Å; H269-E271 VanDerWaalsContact CB-OE1 3.3Å; H269-E271 WeakPolarHBondContact CB-OE1 3.49Å; H269-E271 IonicContact CD2-OE1 2.94Å; H269-E271 PolarHBondContact CD2-OE1 2.94Å; H269-E271 IonicContact CG-OE1 2.83Å; H269-E271 PolarHBondContact O-N 3.1Å; H269-E271 VanDerWaalsContact O-N 3.09Å; E271-L273 VanDerWaalsContact C-N 3.31Å
272R96.6Very high94.6Very high35 Ų3569 Ų6913%0.13238%0.375CS..THydrogen-bonded Turntrans-76.3-19.8174.2-67.1-178.7-177.5163.66.3112.5E42 Y265 H269 P270 Y288E42-R272 VanDerWaalsContact CD-NH2 3.32Å; E42-R272 IonicContact OE1-CZ 3.45Å; E42-R272 IonicContact OE1-NH1 3.32Å; E42-R272 IonicContact OE1-NH2 3.44Å; E42-R272 PolarHBondContact OE1-NH2 3.41Å; E42-R272 IonicContact OE2-CZ 2.72Å; E42-R272 IonicContact OE2-NH1 3.36Å; E42-R272 PolarHBondContact OE2-NH1 3.28Å; E42-R272 IonicContact OE2-NH2 3.3Å; E42-R272 PolarHBondContact OE2-NH2 3.48Å; E42-R272 VanDerWaalsContact OE2-NH2 3.16Å; Y265-R272 HydrophobicContact CD2-CB 3.96Å; Y265-R272 HydrophobicContact CE2-CB 4.07Å; Y265-R272 PolarHBondContact OH-NH1 3.19Å; H269-R272 HydrophobicContact CB-CB 4.29Å; H269-R272 HydrophobicContact CB-CG 3.94Å; H269-R272 WeakPolarHBondContact O-CB 3.11Å; H269-R272 PolarHBondContact O-N 2.96Å; P270-R272 VanDerWaalsContact C-N 3.34Å; R272-Y288 HydrophobicContact CB-CD2 4.32Å; R272-Y288 VanDerWaalsContact O-CD2 3.25Å; R272-Y288 WeakPolarHBondContact O-CD2 3.35Å
273L97.8Very high94.6Very high23 Ų2370.1 Ų70.112%0.1238%0.381CS..SBendtrans-85.1132.1-177.5-63.6179.9000111.4L262 Y265 Q266 P270 E271 K275 N286L262-L273 HydrophobicContact CD2-CD2 3.97Å; Y265-L273 HydrophobicContact CD2-CD2 4.12Å; Q266-L273 HydrophobicContact CG-CD1 3.93Å; P270-L273 PolarHBondContact O-N 3.42Å; E271-L273 VanDerWaalsContact C-N 3.31Å; L273-K275 PolarHBondContact O-N 2.98Å; L273-N286 HydrophobicContact CD2-CB 4.11Å
274A96.6Very high94.6Very high25 Ų2574.7 Ų74.721%0.20739%0.389CS..  trans-63.9134.5174.300000110.4I283 V287 I289A274-I283 HydrophobicContact CB-CD1 4.25Å; A274-I283 HydrophobicContact CB-CG1 4.33Å; A274-V287 HydrophobicContact CB-CB 4.43Å; A274-V287 WeakPolarHBondContact CB-O 3.28Å; A274-V287 PolarHBondContact N-O 3.3Å; A274-I289 HydrophobicContact CB-CB 4.38Å; A274-I289 HydrophobicContact CB-CD1 3.67Å; A274-I289 HydrophobicContact CB-CG1 3.8Å
275K92.8Very high94.6Very high154 Ų15473.3 Ų73.367%0.6740%0.401SS*.  trans-107.1150.5177.2-65.3177.2-176.1175.50109.9L273 T277L273-K275 PolarHBondContact O-N 2.98Å; K275-T277 PolarHBondContact O-N 3.23Å
276H88.6Confident94.6Very high103 Ų10374 Ų7448%0.47741%0.405SS..  trans-65125.9172.3-173.7-79.9000109.6W282H276-W282 AromaticContact CD2-CE3 3.55Å; H276-W282 AromaticContact CD2-CZ3 3.73Å; H276-W282 AromaticContact NE2-CE3 3.17Å; H276-W282 AromaticContact NE2-CZ3 3.23Å; H276-W282 WeakPolarHBondContact NE2-CZ3 3.28Å
277T90.8Very high94.7Very high76 Ų7669.1 Ų69.147%0.46638%0.382SS..  trans-125.9141.5178.248.10000109.7K275 G279 G280K275-T277 PolarHBondContact O-N 3.23Å; T277-G279 PolarHBondContact O-N 3.31Å; T277-G280 WeakPolarHBondContact O-CA 3.45Å; T277-G280 PolarHBondContact O-N 3.04Å
278P90Very high94.9Very high133 Ų13363.7 Ų63.786%0.86435%0.351SS*.THydrogen-bonded Turntrans-57.1127.6174.2-24.534.6000111.1G280P278-G280 PolarHBondContact O-N 3.13Å
279G89.2Confident95.1Very high67 Ų6762.9 Ų62.969%0.69134%0.344SS*.THydrogen-bonded Turntrans75.83.2-174.800000114.7T277 P297T277-G279 PolarHBondContact O-N 3.31Å; G279-P297 WeakPolarHBondContact O-CB 3.2Å; G279-P297 WeakPolarHBondContact O-CG 3.2Å
280G93.1Very high95.3Very high17 Ų1763.9 Ų63.918%0.17535%0.349CS..SBendtrans-93.9176.7170.700000112.9T277 P278T277-G280 WeakPolarHBondContact O-CA 3.45Å; T277-G280 PolarHBondContact O-N 3.04Å; P278-G280 PolarHBondContact O-N 3.13Å
281P96.6Very high95.3Very high18 Ų1866.5 Ų66.512%0.11737%0.366CS..  trans-65.7157177.229.8-36.9000112.3I283 I289 V295 A299P281-I283 HydrophobicContact CB-CD1 4.42Å; P281-I283 HydrophobicContact CG-CD1 4.02Å; P281-I283 PolarHBondContact O-N 3.42Å; P281-I289 HydrophobicContact CG-CD1 4.34Å; P281-V295 HydrophobicContact CB-CG1 3.64Å; P281-V295 HydrophobicContact CG-CB 4.26Å; P281-V295 HydrophobicContact CG-CG1 3.78Å; P281-A299 HydrophobicContact CB-CB 4.4Å
282W97.1Very high95.3Very high139 Ų13964 Ų6453%0.52736%0.359SS..EExtended strand (participates in β ladder)trans-78.7115174.1-170.1-93.8000111H276 A299 V300 L301H276-W282 AromaticContact CD2-CE3 3.55Å; H276-W282 AromaticContact CD2-CZ3 3.73Å; H276-W282 AromaticContact NE2-CE3 3.17Å; H276-W282 AromaticContact NE2-CZ3 3.23Å; H276-W282 WeakPolarHBondContact NE2-CZ3 3.28Å; W282-A299 PolarHBondContact N-O 3.17Å; W282-V300 HydrophobicContact CB-CG2 4.2Å; W282-V300 WeakPolarHBondContact O-CA 3.33Å; W282-L301 PolarHBondContact O-N 3.32Å
283I97.4Very high95.4Very high25 Ų2563.1 Ų63.113%0.12836%0.359CS..EExtended strand (participates in β ladder)trans-99.5130.4-179.4-53.5-55.5000110.5A274 P281 V287 I289 L301A274-I283 HydrophobicContact CB-CD1 4.25Å; A274-I283 HydrophobicContact CB-CG1 4.33Å; P281-I283 HydrophobicContact CB-CD1 4.42Å; P281-I283 HydrophobicContact CG-CD1 4.02Å; P281-I283 PolarHBondContact O-N 3.42Å; I283-V287 HydrophobicContact CD1-CG1 4.41Å; I283-V287 HydrophobicContact CG2-CB 3.88Å; I283-V287 HydrophobicContact CG2-CG2 3.77Å; I283-I289 HydrophobicContact CD1-CD1 3.91Å; I283-L301 CarbonylContact C-O 3.48Å; I283-L301 HydrophobicContact CD1-CB 3.99Å; I283-L301 HydrophobicContact CD1-CD1 4.11Å; I283-L301 HydrophobicContact CD1-CG 4.27Å
284R95.8Very high95.4Very high153 Ų15369.2 Ų69.258%0.57739%0.385SS*.  trans-120.4120.8173.2-59.3-170.780.2-1795.2110.1L301 G302 P303R284-L301 PolarHBondContact N-O 3.34Å; R284-G302 CarbonylContact O-C 3.5Å; R284-G302 WeakPolarHBondContact O-CA 3.45Å; R284-P303 WeakPolarHBondContact O-CA 3.32Å
285G95.6Very high95.5Very high55 Ų5569.6 Ų69.657%0.56739%0.385SS*.SBendtrans64.3-145.3-179.800000112
286N97.3Very high95.7Very high17 Ų1763 Ų639%0.09136%0.359CS..SBendtrans-89.2117.4-173.8-55.8-39.7000111.2L262 S263 Q266 L273 N304 V305L262-N286 HydrophobicContact CB-CB 3.83Å; L262-N286 WeakPolarHBondContact O-CB 3.27Å; L262-N286 VanDerWaalsContact O-CG 3.29Å; L262-N286 PolarHBondContact O-ND2 2.65Å; S263-N286 WeakPolarHBondContact CA-ND2 2.94Å; Q266-N286 VanDerWaalsContact CG-OD1 3.32Å; Q266-N286 WeakPolarHBondContact CG-OD1 3.43Å; Q266-N286 VanDerWaalsContact NE2-CG 3.26Å; Q266-N286 PolarHBondContact NE2-ND2 3.41Å; Q266-N286 PolarHBondContact NE2-OD1 3.34Å; L273-N286 HydrophobicContact CD2-CB 4.11Å; N286-N304 WeakPolarHBondContact O-CA 3.32Å; N286-N304 PolarHBondContact O-N 3.37Å; N286-V305 PolarHBondContact O-N 2.8Å
287V98.3Very high96.1Very high0 Ų061.9 Ų61.90%036%0.361CS..EExtended strand (participates in β ladder)trans-133.2132178.3-179.60000108.8A274 I283 I289 L301 V305A274-V287 HydrophobicContact CB-CB 4.43Å; A274-V287 WeakPolarHBondContact CB-O 3.28Å; A274-V287 PolarHBondContact N-O 3.3Å; I283-V287 HydrophobicContact CD1-CG1 4.41Å; I283-V287 HydrophobicContact CG2-CB 3.88Å; I283-V287 HydrophobicContact CG2-CG2 3.77Å; V287-I289 HydrophobicContact CG1-CD1 4.37Å; V287-I289 HydrophobicContact CG1-CG1 3.89Å; V287-L301 HydrophobicContact CG1-CB 4.02Å; V287-L301 HydrophobicContact CG1-CD1 4.23Å; V287-L301 HydrophobicContact CG2-CB 4.22Å; V287-V305 CarbonylContact C-O 3.46Å; V287-V305 VanDerWaalsContact CA-O 3.26Å; V287-V305 WeakPolarHBondContact CA-O 3.25Å; V287-V305 HydrophobicContact CG1-CB 4.13Å; V287-V305 HydrophobicContact CG1-CG1 4.24Å; V287-V305 HydrophobicContact CG2-CB 4.24Å
288Y98.5Very high96.4Very high26 Ų2661.2 Ų61.210%0.10236%0.359CS..EExtended strand (participates in β ladder)trans-100.2132.2167.2173.3-90.6000109.5G33 R272 H290 V305 S306 I307G33-Y288 PolarHBondContact O-OH 2.9Å; R272-Y288 HydrophobicContact CB-CD2 4.32Å; R272-Y288 VanDerWaalsContact O-CD2 3.25Å; R272-Y288 WeakPolarHBondContact O-CD2 3.35Å; Y288-H290 HydrophobicContact CE1-CB 4Å; Y288-V305 PolarHBondContact N-O 2.92Å; Y288-S306 WeakPolarHBondContact O-CA 3.45Å; Y288-I307 PolarHBondContact O-N 3.44Å
289I98.2Very high96.8Very high40 Ų4054.9 Ų54.921%0.20532%0.318CS..EExtended strand (participates in β ladder)trans-127.4115.7172.7-54174.4000108.3A274 P281 I283 V287 A293 V295 L301 I307A274-I289 HydrophobicContact CB-CB 4.38Å; A274-I289 HydrophobicContact CB-CD1 3.67Å; A274-I289 HydrophobicContact CB-CG1 3.8Å; P281-I289 HydrophobicContact CG-CD1 4.34Å; I283-I289 HydrophobicContact CD1-CD1 3.91Å; V287-I289 HydrophobicContact CG1-CD1 4.37Å; V287-I289 HydrophobicContact CG1-CG1 3.89Å; I289-A293 HydrophobicContact CG2-CB 3.94Å; I289-V295 HydrophobicContact CG2-CG2 4.08Å; I289-L301 HydrophobicContact CD1-CD1 3.71Å; I289-L301 HydrophobicContact CG1-CD1 4.19Å; I289-I307 HydrophobicContact CG1-CG1 4.32Å; I289-I307 HydrophobicContact CG2-CB 4.4Å
290H98.1Very high97.2Very high47 Ų4753 Ų5322%0.21829%0.293CS..  trans-59.6138.8175.1-171.3-86000110.6Y288 T292 A293 I307Y288-H290 HydrophobicContact CE1-CB 4Å; H290-T292 PolarHBondContact CE1-OG1 3.36Å; H290-T292 VanDerWaalsContact CE1-OG1 3.3Å; H290-T292 PolarHBondContact ND1-N 3.03Å; H290-T292 PolarHBondContact ND1-OG1 3.15Å; H290-T292 PolarHBondContact O-N 3.31Å; H290-A293 VanDerWaalsContact O-CB 3.29Å; H290-A293 WeakPolarHBondContact O-CB 3.29Å; H290-A293 PolarHBondContact O-N 2.99Å; H290-I307 WeakPolarHBondContact CB-O 3.23Å; H290-I307 PolarHBondContact N-O 3.28Å
291P96.3Very high97.4Very high117 Ų11752.2 Ų52.276%0.7629%0.285SS*.THydrogen-bonded Turntrans-57.1-25.6-174.4-29.335.6000115.9
292T97.3Very high97.4Very high73 Ų7351.7 Ų51.745%0.44828%0.283SS..THydrogen-bonded Turntrans-88.4-4178.766.70000114.3H290 K309 G310H290-T292 PolarHBondContact CE1-OG1 3.36Å; H290-T292 VanDerWaalsContact CE1-OG1 3.3Å; H290-T292 PolarHBondContact ND1-N 3.03Å; H290-T292 PolarHBondContact ND1-OG1 3.15Å; H290-T292 PolarHBondContact O-N 3.31Å; T292-K309 WeakPolarHBondContact OG1-CG 3.46Å; T292-G310 PolarHBondContact OG1-N 2.88Å
293A97.8Very high97.4Very high17 Ų1747.3 Ų47.314%0.1427%0.272CS..  trans-73.9143.3178.100000110.8I289 H290 I307 V311I289-A293 HydrophobicContact CG2-CB 3.94Å; H290-A293 VanDerWaalsContact O-CB 3.29Å; H290-A293 WeakPolarHBondContact O-CB 3.29Å; H290-A293 PolarHBondContact O-N 2.99Å; A293-I307 HydrophobicContact CB-CG2 3.72Å; A293-V311 CarbonylContact C-O 3.37Å; A293-V311 WeakPolarHBondContact CA-O 3.11Å; A293-V311 HydrophobicContact CB-CB 4.41Å
294K97.9Very high97.3Very high152 Ų15247.1 Ų47.166%0.66127%0.271SS*.EExtended strand (participates in β ladder)trans-106.4114.5176.4-64.1179.6-177.3177.30108.4V311 T312 V313K294-V311 PolarHBondContact N-O 2.73Å; K294-T312 CarbonylContact O-C 3.51Å; K294-T312 WeakPolarHBondContact O-CA 3.45Å; K294-V313 PolarHBondContact O-N 2.8Å
295V98Very high97.4Very high32 Ų3239.8 Ų39.819%0.19424%0.244CC..EExtended strand (participates in β ladder)trans-122.9124.7-176.8-173.90000109.9P281 I289 A299 L301 V313P281-V295 HydrophobicContact CB-CG1 3.64Å; P281-V295 HydrophobicContact CG-CB 4.26Å; P281-V295 HydrophobicContact CG-CG1 3.78Å; I289-V295 HydrophobicContact CG2-CG2 4.08Å; V295-A299 HydrophobicContact CG1-CB 3.94Å; V295-L301 HydrophobicContact CG1-CD1 3.97Å; V295-V313 HydrophobicContact CB-CB 4.32Å; V295-V313 HydrophobicContact CG1-CB 3.97Å; V295-V313 HydrophobicContact CG1-CG1 4.13Å; V295-V313 HydrophobicContact CG2-CB 4.25Å; V295-V313 HydrophobicContact CG2-CG2 4.15Å
296A97.7Very high97.5Very high15 Ų1537.3 Ų37.312%0.12422%0.218CC..  trans-64142.4177.700000111.8S298 A299 V313 E315A296-S298 PolarHBondContact O-N 3.49Å; A296-A299 VanDerWaalsContact O-CB 3.27Å; A296-A299 WeakPolarHBondContact O-CB 3.49Å; A296-A299 PolarHBondContact O-N 3.14Å; A296-V313 WeakPolarHBondContact CB-O 3.41Å; A296-V313 PolarHBondContact N-O 2.96Å; A296-E315 HydrophobicContact CB-CB 4.5Å; A296-E315 HydrophobicContact CB-CG 4.03Å
297P97.4Very high97.6Very high80 Ų8036.5 Ų36.552%0.51921%0.214SC..THydrogen-bonded Turntrans-60.2-28-179.9-2635.3000114.6G279 A299G279-P297 WeakPolarHBondContact O-CB 3.2Å; G279-P297 WeakPolarHBondContact O-CG 3.2Å; P297-A299 VanDerWaalsContact C-N 3.28Å; P297-A299 PolarHBondContact O-N 2.83Å
298S97.2Very high97.5Very high63 Ų6337.3 Ų37.344%0.44122%0.222SC..THydrogen-bonded Turntrans-81.4-4.517958.30000113.9A296 E315 G316A296-S298 PolarHBondContact O-N 3.49Å; S298-E315 VanDerWaalsContact OG-CA 3.29Å; S298-E315 WeakPolarHBondContact OG-CA 3.36Å; S298-E315 WeakPolarHBondContact OG-CB 3.42Å; S298-G316 PolarHBondContact OG-N 2.88Å
299A97.8Very high97.4Very high0 Ų041.7 Ų41.70%024%0.242CC..  trans-72.3145.6178.600000111.5P281 W282 V295 A296 P297 L301 V313 V317P281-A299 HydrophobicContact CB-CB 4.4Å; W282-A299 PolarHBondContact N-O 3.17Å; V295-A299 HydrophobicContact CG1-CB 3.94Å; A296-A299 VanDerWaalsContact O-CB 3.27Å; A296-A299 WeakPolarHBondContact O-CB 3.49Å; A296-A299 PolarHBondContact O-N 3.14Å; P297-A299 VanDerWaalsContact C-N 3.28Å; P297-A299 PolarHBondContact O-N 2.83Å; A299-L301 HydrophobicContact CB-CD2 4.23Å; A299-V313 HydrophobicContact CB-CG1 3.91Å; A299-V317 CarbonylContact C-O 3.6Å; A299-V317 VanDerWaalsContact CA-O 3.32Å; A299-V317 WeakPolarHBondContact CA-O 3.32Å; A299-V317 HydrophobicContact CB-CB 4.49Å
300V97.9Very high97.4Very high28 Ų2841.3 Ų41.317%0.1725%0.247CC..EExtended strand (participates in β ladder)trans-115.6112.8176.5179.70000108.9W282 V317 R318 L319W282-V300 HydrophobicContact CB-CG2 4.2Å; W282-V300 WeakPolarHBondContact O-CA 3.33Å; V300-V317 PolarHBondContact N-O 3.24Å; V300-R318 HydrophobicContact CB-CG 4.33Å; V300-R318 WeakPolarHBondContact O-CA 3.21Å; V300-L319 PolarHBondContact O-N 3.29Å
301L98.1Very high97.4Very high0 Ų039.1 Ų39.10%024%0.237CC..EExtended strand (participates in β ladder)trans-112.4129.2-176.1-49.5-168.7000110.7W282 I283 R284 V287 I289 V295 A299 I307 L319W282-L301 PolarHBondContact O-N 3.32Å; I283-L301 CarbonylContact C-O 3.48Å; I283-L301 HydrophobicContact CD1-CB 3.99Å; I283-L301 HydrophobicContact CD1-CD1 4.11Å; I283-L301 HydrophobicContact CD1-CG 4.27Å; R284-L301 PolarHBondContact N-O 3.34Å; V287-L301 HydrophobicContact CG1-CB 4.02Å; V287-L301 HydrophobicContact CG1-CD1 4.23Å; V287-L301 HydrophobicContact CG2-CB 4.22Å; I289-L301 HydrophobicContact CD1-CD1 3.71Å; I289-L301 HydrophobicContact CG1-CD1 4.19Å; V295-L301 HydrophobicContact CG1-CD1 3.97Å; A299-L301 HydrophobicContact CB-CD2 4.23Å; L301-I307 HydrophobicContact CD1-CG1 4.33Å; L301-L319 HydrophobicContact CD2-CB 4Å; L301-L319 HydrophobicContact CD2-CD1 3.81Å; L301-L319 HydrophobicContact CD2-CG 3.91Å
302G96Very high97.5Very high7 Ų736.2 Ų36.27%0.07222%0.217CC..  trans106.5175.3167.700000115.7R284 L319R284-G302 CarbonylContact O-C 3.5Å; R284-G302 WeakPolarHBondContact O-CA 3.45Å; G302-L319 PolarHBondContact N-O 2.9Å
303P96.1Very high97.5Very high46 Ų4632.9 Ų32.930%0.29920%0.197SC..SBendcis-72.9165.80.832.1-38.8000114.2R284 R320 E321R284-P303 WeakPolarHBondContact O-CA 3.32Å; P303-R320 HydrophobicContact CG-CG 4.49Å; P303-E321 PolarHBondContact O-N 3.29Å
304N96.3Very high97.5Very high21 Ų2132.9 Ų32.911%0.11220%0.198CC..SBendtrans60.352.3169.5-53-44000112.9R259 L262 N286 E321 S322R259-N304 HydrophobicContact CB-CB 4.19Å; R259-N304 HydrophobicContact CG-CB 4.29Å; L262-N304 HydrophobicContact CD1-CB 4.48Å; N286-N304 WeakPolarHBondContact O-CA 3.32Å; N286-N304 PolarHBondContact O-N 3.37Å; N304-E321 VanDerWaalsContact CB-OE2 3.31Å; N304-E321 WeakPolarHBondContact CB-OE2 3.34Å; N304-E321 PolarHBondContact ND2-OE1 3.37Å; N304-E321 CarbonylContact O-C 3.55Å; N304-E321 VanDerWaalsContact O-CA 3.25Å; N304-E321 WeakPolarHBondContact O-CA 3.16Å; N304-E321 PolarHBondContact O-N 2.92Å; N304-S322 PolarHBondContact O-N 3.33Å
305V98Very high97.5Very high0 Ų031.4 Ų31.40%019%0.194CC..EExtended strand (participates in β ladder)trans-114136.1179.2169.80000110N286 V287 Y288 I307 L319 S322N286-V305 PolarHBondContact O-N 2.8Å; V287-V305 CarbonylContact C-O 3.46Å; V287-V305 VanDerWaalsContact CA-O 3.26Å; V287-V305 WeakPolarHBondContact CA-O 3.25Å; V287-V305 HydrophobicContact CG1-CB 4.13Å; V287-V305 HydrophobicContact CG1-CG1 4.24Å; V287-V305 HydrophobicContact CG2-CB 4.24Å; Y288-V305 PolarHBondContact N-O 2.92Å; V305-I307 HydrophobicContact CG1-CD1 3.58Å; V305-I307 HydrophobicContact CG1-CG1 4.01Å; V305-L319 HydrophobicContact CG1-CB 4.06Å; V305-L319 HydrophobicContact CG1-CD1 4.09Å; V305-L319 HydrophobicContact CG2-CB 3.82Å; V305-S322 VanDerWaalsContact CA-O 3.28Å; V305-S322 WeakPolarHBondContact CA-O 3.28Å
306S98.1Very high97.5Very high3 Ų330.8 Ų30.82%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-122.7129.2167.2610000110.7Y288 S322 I323 V324Y288-S306 WeakPolarHBondContact O-CA 3.45Å; S306-S322 PolarHBondContact N-O 3.38Å; S306-I323 WeakPolarHBondContact OG-CG1 3.31Å; S306-V324 PolarHBondContact O-N 3.49Å
307I98.2Very high97.5Very high0 Ų030 Ų300%019%0.188CC..EExtended strand (participates in β ladder)trans-111117.7179.9-53.1-58.7000108.9Y288 I289 H290 A293 L301 V305 V311 L319 V324Y288-I307 PolarHBondContact O-N 3.44Å; I289-I307 HydrophobicContact CG1-CG1 4.32Å; I289-I307 HydrophobicContact CG2-CB 4.4Å; H290-I307 WeakPolarHBondContact CB-O 3.23Å; H290-I307 PolarHBondContact N-O 3.28Å; A293-I307 HydrophobicContact CB-CG2 3.72Å; L301-I307 HydrophobicContact CD1-CG1 4.33Å; V305-I307 HydrophobicContact CG1-CD1 3.58Å; V305-I307 HydrophobicContact CG1-CG1 4.01Å; I307-V311 HydrophobicContact CG2-CB 3.6Å; I307-V311 HydrophobicContact CG2-CG1 3.63Å; I307-V311 HydrophobicContact CG2-CG2 4.14Å; I307-L319 HydrophobicContact CD1-CD1 3.41Å; I307-L319 VanDerWaalsContact CD1-CD1 3.41Å; I307-V324 HydrophobicContact CD1-CB 3.9Å; I307-V324 HydrophobicContact CD1-CG2 3.71Å
308G97.3Very high97.5Very high17 Ų1733.3 Ų33.318%0.17519%0.19CC..  trans-76.7176.8-177.300000114.6G310 V311 V324G308-G310 PolarHBondContact O-N 2.94Å; G308-V311 WeakPolarHBondContact O-CG2 3.4Å; G308-V311 PolarHBondContact O-N 2.84Å; G308-V324 WeakPolarHBondContact CA-O 3.32Å; G308-V324 PolarHBondContact N-O 3.07Å
309K96.1Very high97.6Very high118 Ų11830.4 Ų30.451%0.51317%0.17SC..THydrogen-bonded Turntrans-56.7133179.8177.9-177.9179.8-179.90111.5T292 V311 H326 G327T292-K309 WeakPolarHBondContact OG1-CG 3.46Å; K309-V311 PolarHBondContact O-N 2.86Å; K309-H326 WeakPolarHBondContact CB-ND1 3.27Å; K309-H326 VanDerWaalsContact O-CA 3.29Å; K309-H326 WeakPolarHBondContact O-CA 3.4Å; K309-H326 PolarHBondContact O-ND1 2.88Å; K309-G327 PolarHBondContact O-N 2.69Å
310G97.1Very high97.5Very high32 Ų3235.2 Ų35.233%0.3319%0.188SC..THydrogen-bonded Turntrans67.112.9172.200000115.3T292 G308T292-G310 PolarHBondContact OG1-N 2.88Å; G308-G310 PolarHBondContact O-N 2.94Å
311V98.2Very high97.3Very high0 Ų035 Ų350%019%0.185CC..  trans-68.5141.1175.2170.30000110.4A293 K294 I307 G308 K309 V313 V324 L325 A328A293-V311 CarbonylContact C-O 3.37Å; A293-V311 WeakPolarHBondContact CA-O 3.11Å; A293-V311 HydrophobicContact CB-CB 4.41Å; K294-V311 PolarHBondContact N-O 2.73Å; I307-V311 HydrophobicContact CG2-CB 3.6Å; I307-V311 HydrophobicContact CG2-CG1 3.63Å; I307-V311 HydrophobicContact CG2-CG2 4.14Å; G308-V311 WeakPolarHBondContact O-CG2 3.4Å; G308-V311 PolarHBondContact O-N 2.84Å; K309-V311 PolarHBondContact O-N 2.86Å; V311-V313 HydrophobicContact CG1-CG2 3.89Å; V311-V324 HydrophobicContact CB-CG1 4.41Å; V311-V324 HydrophobicContact CG1-CB 4.48Å; V311-V324 HydrophobicContact CG1-CG1 3.6Å; V311-V324 HydrophobicContact CG2-CG1 3.86Å; V311-L325 WeakPolarHBondContact CG2-O 3.23Å; V311-A328 VanDerWaalsContact CA-O 3.29Å; V311-A328 WeakPolarHBondContact CA-O 3.13Å; V311-A328 WeakPolarHBondContact CG1-O 3.22Å; V311-A328 HydrophobicContact CG2-CB 4.39Å
312T98.4Very high97.2Very high56 Ų5635 Ų3534%0.34419%0.185SC..EExtended strand (participates in β ladder)trans-112.1123.5171.6-570000110.2K294 A328 T329 L330K294-T312 CarbonylContact O-C 3.51Å; K294-T312 WeakPolarHBondContact O-CA 3.45Å; T312-A328 PolarHBondContact N-O 2.87Å; T312-T329 WeakPolarHBondContact O-CA 3.06Å; T312-L330 PolarHBondContact O-N 3.32Å
313V98.4Very high97.2Very high3 Ų334.8 Ų34.82%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-114.9112.3177.7-178.90000109K294 V295 A296 A299 V311 V317 L330K294-V313 PolarHBondContact O-N 2.8Å; V295-V313 HydrophobicContact CB-CB 4.32Å; V295-V313 HydrophobicContact CG1-CB 3.97Å; V295-V313 HydrophobicContact CG1-CG1 4.13Å; V295-V313 HydrophobicContact CG2-CB 4.25Å; V295-V313 HydrophobicContact CG2-CG2 4.15Å; A296-V313 WeakPolarHBondContact CB-O 3.41Å; A296-V313 PolarHBondContact N-O 2.96Å; A299-V313 HydrophobicContact CB-CG1 3.91Å; V311-V313 HydrophobicContact CG1-CG2 3.89Å; V313-V317 HydrophobicContact CG1-CB 3.62Å; V313-V317 HydrophobicContact CG1-CG1 3.66Å; V313-V317 HydrophobicContact CG1-CG2 4.1Å; V313-L330 HydrophobicContact CG2-CD1 4.24Å
314G97.9Very high97.2Very high17 Ų1732.6 Ų32.618%0.17517%0.168CC..  trans-73176.8-178.600000114.5V317 L330G314-V317 WeakPolarHBondContact O-CB 3.49Å; G314-V317 VanDerWaalsContact O-CG2 3.22Å; G314-V317 WeakPolarHBondContact O-CG2 3.37Å; G314-L330 WeakPolarHBondContact CA-O 3.04Å; G314-L330 PolarHBondContact N-O 3.07Å
315E97.9Very high97.1Very high121 Ų12131.7 Ų31.757%0.56516%0.163SC*.THydrogen-bonded Turntrans-63.4141.7-176.7-65-173.9175.800112.5A296 S298 V317 E332 H333A296-E315 HydrophobicContact CB-CB 4.5Å; A296-E315 HydrophobicContact CB-CG 4.03Å; S298-E315 VanDerWaalsContact OG-CA 3.29Å; S298-E315 WeakPolarHBondContact OG-CA 3.36Å; S298-E315 WeakPolarHBondContact OG-CB 3.42Å; E315-V317 PolarHBondContact O-N 3.33Å; E315-E332 HydrophobicContact CB-CB 4.45Å; E315-E332 HydrophobicContact CB-CG 4.26Å; E315-E332 CarbonylContact O-C 3.52Å; E315-E332 VanDerWaalsContact O-CA 3.25Å; E315-E332 WeakPolarHBondContact O-CA 3.39Å; E315-E332 WeakPolarHBondContact O-CB 3.41Å; E315-H333 PolarHBondContact O-N 2.92Å
316G97.2Very high96.8Very high19 Ų1935.8 Ų35.820%0.19618%0.182CC..THydrogen-bonded Turntrans65.58.817600000115.4S298S298-G316 PolarHBondContact OG-N 2.88Å
317V98.3Very high96.5Very high0 Ų037 Ų370%020%0.195CC..  trans-64.9141.1177.4171.50000110.8A299 V300 V313 G314 E315 L319 L330 Q331 T334A299-V317 CarbonylContact C-O 3.6Å; A299-V317 VanDerWaalsContact CA-O 3.32Å; A299-V317 WeakPolarHBondContact CA-O 3.32Å; A299-V317 HydrophobicContact CB-CB 4.49Å; V300-V317 PolarHBondContact N-O 3.24Å; V313-V317 HydrophobicContact CG1-CB 3.62Å; V313-V317 HydrophobicContact CG1-CG1 3.66Å; V313-V317 HydrophobicContact CG1-CG2 4.1Å; G314-V317 WeakPolarHBondContact O-CB 3.49Å; G314-V317 VanDerWaalsContact O-CG2 3.22Å; G314-V317 WeakPolarHBondContact O-CG2 3.37Å; E315-V317 PolarHBondContact O-N 3.33Å; V317-L319 HydrophobicContact CG1-CD2 4.11Å; V317-L319 HydrophobicContact CG1-CG 4.03Å; V317-L330 HydrophobicContact CG1-CB 4.24Å; V317-L330 HydrophobicContact CG1-CD1 3.9Å; V317-L330 HydrophobicContact CG2-CB 4.19Å; V317-Q331 WeakPolarHBondContact CG2-O 3.45Å; V317-T334 CarbonylContact C-O 3.6Å; V317-T334 VanDerWaalsContact CA-O 3.28Å; V317-T334 WeakPolarHBondContact CA-O 3.37Å
318R98.1Very high96.3Very high148 Ų14837 Ų3756%0.55820%0.195SC*.EExtended strand (participates in β ladder)trans-123.5119.4178.2-60-175.3179-97.90.2111.1V300 T334 C335 V336V300-R318 HydrophobicContact CB-CG 4.33Å; V300-R318 WeakPolarHBondContact O-CA 3.21Å; R318-T334 PolarHBondContact N-O 3.45Å; R318-C335 CarbonylContact O-C 3.48Å; R318-C335 WeakPolarHBondContact O-CA 3.47Å; R318-V336 PolarHBondContact O-N 3.36Å
319L97.5Very high96.3Very high3 Ų338.2 Ų38.22%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-118.5137.3-180-61.7-173.5000111.4V300 L301 G302 V305 I307 V317 V324 L330 V336V300-L319 PolarHBondContact O-N 3.29Å; L301-L319 HydrophobicContact CD2-CB 4Å; L301-L319 HydrophobicContact CD2-CD1 3.81Å; L301-L319 HydrophobicContact CD2-CG 3.91Å; G302-L319 PolarHBondContact N-O 2.9Å; V305-L319 HydrophobicContact CG1-CB 4.06Å; V305-L319 HydrophobicContact CG1-CD1 4.09Å; V305-L319 HydrophobicContact CG2-CB 3.82Å; I307-L319 HydrophobicContact CD1-CD1 3.41Å; I307-L319 VanDerWaalsContact CD1-CD1 3.41Å; V317-L319 HydrophobicContact CG1-CD2 4.11Å; V317-L319 HydrophobicContact CG1-CG 4.03Å; L319-V324 HydrophobicContact CD1-CG2 3.9Å; L319-L330 HydrophobicContact CD1-CD1 3.75Å; L319-L330 HydrophobicContact CD2-CD1 3.63Å; L319-L330 HydrophobicContact CG-CD1 4.14Å; L319-V336 WeakPolarHBondContact CA-O 3.39Å; L319-V336 HydrophobicContact CD2-CB 3.47Å; L319-V336 VanDerWaalsContact CD2-CB 3.47Å; L319-V336 HydrophobicContact CD2-CG1 4.43Å; L319-V336 HydrophobicContact CD2-CG2 3.8Å
320R96Very high96.3Very high100 Ų10032.7 Ų32.738%0.37718%0.175SC..EExtended strand (participates in β ladder)trans-150.6137.3173.8177.8178.174.6170.41.2110.3P303 S322 V336 L337 H338P303-R320 HydrophobicContact CG-CG 4.49Å; R320-S322 VanDerWaalsContact C-N 3.31Å; R320-S322 PolarHBondContact O-N 3.33Å; R320-S322 PolarHBondContact O-OG 2.85Å; R320-V336 PolarHBondContact N-O 3.1Å; R320-V336 VanDerWaalsContact N-O 3.1Å; R320-L337 HydrophobicContact CB-CD2 3.67Å; R320-L337 WeakPolarHBondContact O-CA 3.34Å; R320-H338 PolarHBondContact NH2-NE2 3.12Å; R320-H338 PolarHBondContact O-N 3Å
321E94.4Very high96.2Very high23 Ų2334.4 Ų34.411%0.10718%0.175CC..SBendtrans52.349.7174.1-62.9-73.817600111.3R259 P303 N304 H338 S339R259-E321 IonicContact CZ-OE1 3.99Å; R259-E321 IonicContact CZ-OE2 3.04Å; R259-E321 IonicContact NE-OE1 3.5Å; R259-E321 PolarHBondContact NE-OE1 3.32Å; R259-E321 IonicContact NE-OE2 3.97Å; R259-E321 PolarHBondContact NE-OE2 2.86Å; R259-E321 IonicContact NH2-OE1 2.68Å; R259-E321 PolarHBondContact NH2-OE1 2.83Å; R259-E321 IonicContact NH2-OE2 3.24Å; R259-E321 PolarHBondContact NH2-OE2 2.82Å; P303-E321 PolarHBondContact O-N 3.29Å; N304-E321 VanDerWaalsContact CB-OE2 3.31Å; N304-E321 WeakPolarHBondContact CB-OE2 3.34Å; N304-E321 PolarHBondContact ND2-OE1 3.37Å; N304-E321 CarbonylContact O-C 3.55Å; N304-E321 VanDerWaalsContact O-CA 3.25Å; N304-E321 WeakPolarHBondContact O-CA 3.16Å; N304-E321 PolarHBondContact O-N 2.92Å; E321-H338 VanDerWaalsContact CB-ND1 3.34Å; E321-H338 WeakPolarHBondContact CB-ND1 3.47Å; E321-H338 CarbonylContact O-C 3.43Å; E321-H338 WeakPolarHBondContact O-CA 3.21Å; E321-H338 PolarHBondContact O-N 2.8Å; E321-S339 PolarHBondContact O-N 2.96Å
322S95.4Very high96.1Very high1 Ų137 Ų371%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-144.4148.9-166.8-64.70000113N304 V305 S306 R320 H338 S339N304-S322 PolarHBondContact O-N 3.33Å; V305-S322 VanDerWaalsContact CA-O 3.28Å; V305-S322 WeakPolarHBondContact CA-O 3.28Å; S306-S322 PolarHBondContact N-O 3.38Å; R320-S322 VanDerWaalsContact C-N 3.31Å; R320-S322 PolarHBondContact O-N 3.33Å; R320-S322 PolarHBondContact O-OG 2.85Å; S322-H338 PolarHBondContact OG-N 2.8Å; S322-S339 CarbonylContact C-O 3.56Å; S322-S339 WeakPolarHBondContact CA-O 3.27Å; S322-S339 WeakPolarHBondContact CB-O 3.49Å; S322-S339 PolarHBondContact OG-N 3.41Å; S322-S339 PolarHBondContact OG-O 3.37Å
323I95.9Very high96Very high2 Ų238.3 Ų38.31%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-112.5124.6173.3-60.6164.6000107.3F29 A254 L255 S306 L325 S339 I340 V341F29-I323 HydrophobicContact CE1-CD1 4.35Å; A254-I323 HydrophobicContact CB-CD1 4.44Å; L255-I323 HydrophobicContact CD2-CB 4.47Å; L255-I323 HydrophobicContact CD2-CD1 3.97Å; L255-I323 HydrophobicContact CD2-CG1 3.9Å; S306-I323 WeakPolarHBondContact OG-CG1 3.31Å; I323-L325 HydrophobicContact CG2-CD2 3.58Å; I323-L325 HydrophobicContact CG2-CG 4.26Å; I323-S339 PolarHBondContact N-O 3.06Å; I323-I340 HydrophobicContact CB-CG1 4.21Å; I323-I340 HydrophobicContact CB-CG2 4.28Å; I323-I340 HydrophobicContact CD1-CD1 4.12Å; I323-I340 HydrophobicContact CD1-CG1 4.33Å; I323-I340 HydrophobicContact CG2-CG2 4.48Å; I323-I340 CarbonylContact O-C 3.53Å; I323-I340 VanDerWaalsContact O-CA 3.27Å; I323-I340 WeakPolarHBondContact O-CA 3.34Å; I323-V341 PolarHBondContact O-N 3.06Å
324V96.3Very high95.8Very high1 Ų138.2 Ų38.21%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-110.7110.6176.2-174.10000108S306 I307 G308 V311 L319 A328 L330 V341S306-V324 PolarHBondContact O-N 3.49Å; I307-V324 HydrophobicContact CD1-CB 3.9Å; I307-V324 HydrophobicContact CD1-CG2 3.71Å; G308-V324 WeakPolarHBondContact CA-O 3.32Å; G308-V324 PolarHBondContact N-O 3.07Å; V311-V324 HydrophobicContact CB-CG1 4.41Å; V311-V324 HydrophobicContact CG1-CB 4.48Å; V311-V324 HydrophobicContact CG1-CG1 3.6Å; V311-V324 HydrophobicContact CG2-CG1 3.86Å; L319-V324 HydrophobicContact CD1-CG2 3.9Å; V324-A328 HydrophobicContact CG1-CB 3.75Å; V324-L330 HydrophobicContact CG1-CD2 4.5Å; V324-L330 HydrophobicContact CG2-CD1 4.33Å; V324-V341 HydrophobicContact CG1-CB 4.14Å; V324-V341 HydrophobicContact CG1-CG1 4.43Å; V324-V341 HydrophobicContact CG2-CB 4.47Å; V324-V341 HydrophobicContact CG2-CG2 4.33Å
325L93.9Very high95.6Very high1 Ų138.4 Ų38.41%0.00519%0.187CC..  trans-80.3168.6-171.2-60.6177.4000112.4L20 F29 P30 V311 I323 G327 A328 I340 V341 W343L20-L325 HydrophobicContact CD2-CD1 3.49Å; L20-L325 VanDerWaalsContact CD2-CD1 3.49Å; F29-L325 HydrophobicContact CE2-CD1 3.84Å; F29-L325 HydrophobicContact CE2-CD2 3.99Å; F29-L325 HydrophobicContact CZ-CD1 4.38Å; F29-L325 HydrophobicContact CZ-CD2 4.07Å; P30-L325 HydrophobicContact CG-CD2 3.38Å; V311-L325 WeakPolarHBondContact CG2-O 3.23Å; I323-L325 HydrophobicContact CG2-CD2 3.58Å; I323-L325 HydrophobicContact CG2-CG 4.26Å; L325-G327 PolarHBondContact O-N 3.07Å; L325-A328 WeakPolarHBondContact O-CB 3.44Å; L325-A328 PolarHBondContact O-N 3.33Å; L325-I340 HydrophobicContact CD1-CG2 3.77Å; L325-I340 HydrophobicContact CG-CG2 4.02Å; L325-V341 VanDerWaalsContact CB-O 3.28Å; L325-V341 WeakPolarHBondContact CB-O 3.21Å; L325-V341 VanDerWaalsContact CG-O 3.28Å; L325-V341 WeakPolarHBondContact CG-O 3.42Å; L325-V341 PolarHBondContact N-O 3.27Å; L325-W343 HydrophobicContact CB-CD2 3.75Å; L325-W343 HydrophobicContact CB-CE3 3.67Å; L325-W343 HydrophobicContact CB-CG 4.24Å; L325-W343 HydrophobicContact CB-CH2 4.43Å; L325-W343 HydrophobicContact CB-CZ2 4.49Å; L325-W343 HydrophobicContact CB-CZ3 4.04Å; L325-W343 HydrophobicContact CD1-CD2 4.03Å; L325-W343 HydrophobicContact CD1-CG 4.31Å; L325-W343 HydrophobicContact CD1-CZ2 4.05Å; L325-W343 HydrophobicContact CD2-CH2 4.11Å; L325-W343 HydrophobicContact CD2-CZ2 4.1Å; L325-W343 HydrophobicContact CD2-CZ3 4.45Å; L325-W343 HydrophobicContact CG-CD2 4.41Å; L325-W343 HydrophobicContact CG-CZ2 4.46Å
326H92.3Very high95.5Very high87 Ų8732.7 Ų32.740%0.40316%0.16SC..THydrogen-bonded Turntrans-53.9137.7-169.6163.483.5000113K309 A328 W343 G344K309-H326 WeakPolarHBondContact CB-ND1 3.27Å; K309-H326 VanDerWaalsContact O-CA 3.29Å; K309-H326 WeakPolarHBondContact O-CA 3.4Å; K309-H326 PolarHBondContact O-ND1 2.88Å; H326-A328 PolarHBondContact O-N 3.47Å; H326-W343 HydrophobicContact CB-CE3 3.53Å; H326-W343 HydrophobicContact CB-CZ3 3.49Å; H326-W343 VanDerWaalsContact CB-CZ3 3.49Å; H326-W343 VanDerWaalsContact N-CE3 3.28Å; H326-W343 WeakPolarHBondContact O-CA 3.37Å; H326-G344 PolarHBondContact O-N 2.83Å
327G92.6Very high95.3Very high27 Ų2732.4 Ų32.428%0.27815%0.154SC..THydrogen-bonded Turntrans71.81.2175.700000115.6K309 L325K309-G327 PolarHBondContact O-N 2.69Å; L325-G327 PolarHBondContact O-N 3.07Å
328A93.5Very high94.9Very high0 Ų033.3 Ų33.30%016%0.158CC..  trans-66.6149178.400000112.4V311 T312 V324 L325 H326 V341 S345V311-A328 VanDerWaalsContact CA-O 3.29Å; V311-A328 WeakPolarHBondContact CA-O 3.13Å; V311-A328 WeakPolarHBondContact CG1-O 3.22Å; V311-A328 HydrophobicContact CG2-CB 4.39Å; T312-A328 PolarHBondContact N-O 2.87Å; V324-A328 HydrophobicContact CG1-CB 3.75Å; L325-A328 WeakPolarHBondContact O-CB 3.44Å; L325-A328 PolarHBondContact O-N 3.33Å; H326-A328 PolarHBondContact O-N 3.47Å; A328-V341 HydrophobicContact CB-CG1 3.85Å; A328-S345 CarbonylContact C-O 3.58Å; A328-S345 WeakPolarHBondContact CA-O 3.32Å; A328-S345 WeakPolarHBondContact CB-O 3.36Å
329T96.2Very high94.5Very high44 Ų4426.3 Ų26.327%0.2713%0.131SC..EExtended strand (participates in β ladder)trans-121.9121.8177.8-63.50000110.3T312 Q331 S345 T346 V347T312-T329 WeakPolarHBondContact O-CA 3.06Å; T329-Q331 HydrophobicContact CG2-CG 4.42Å; T329-S345 PolarHBondContact N-O 2.84Å; T329-T346 HydrophobicContact CG2-CG2 4.49Å; T329-T346 CarbonylContact O-C 2.96Å; T329-T346 VanDerWaalsContact O-CA 3.3Å; T329-T346 WeakPolarHBondContact O-CA 3.49Å; T329-V347 PolarHBondContact O-N 3.04Å
330L96.4Very high94.2Very high1 Ų126.1 Ų26.11%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-105.1113.9172.3-47.2-173.5000108.1T312 V313 G314 V317 L319 V324 V341 V347T312-L330 PolarHBondContact O-N 3.32Å; V313-L330 HydrophobicContact CG2-CD1 4.24Å; G314-L330 WeakPolarHBondContact CA-O 3.04Å; G314-L330 PolarHBondContact N-O 3.07Å; V317-L330 HydrophobicContact CG1-CB 4.24Å; V317-L330 HydrophobicContact CG1-CD1 3.9Å; V317-L330 HydrophobicContact CG2-CB 4.19Å; L319-L330 HydrophobicContact CD1-CD1 3.75Å; L319-L330 HydrophobicContact CD2-CD1 3.63Å; L319-L330 HydrophobicContact CG-CD1 4.14Å; V324-L330 HydrophobicContact CG1-CD2 4.5Å; V324-L330 HydrophobicContact CG2-CD1 4.33Å; L330-V341 HydrophobicContact CD2-CG1 4.17Å; L330-V341 HydrophobicContact CD2-CG2 4.25Å; L330-V347 HydrophobicContact CD2-CB 3.92Å; L330-V347 HydrophobicContact CD2-CG2 3.27Å
331Q94.8Very high94Very high69 Ų6921.4 Ų21.432%0.32211%0.113SC..  trans-77.2175.8-179.2-62.9-176.7-13.300111.8V317 T329 T334 T346 V347 R349V317-Q331 WeakPolarHBondContact CG2-O 3.45Å; T329-Q331 HydrophobicContact CG2-CG 4.42Å; Q331-T334 PolarHBondContact O-OG1 2.84Å; Q331-T346 HydrophobicContact CG-CG2 4.21Å; Q331-V347 WeakPolarHBondContact CB-O 3.47Å; Q331-V347 WeakPolarHBondContact CG-O 3.39Å; Q331-V347 PolarHBondContact N-O 3.18Å; Q331-R349 HydrophobicContact CB-CB 4.44Å; Q331-R349 HydrophobicContact CB-CG 3.67Å; Q331-R349 VanDerWaalsContact OE1-N 3.14Å
332E96.9Very high93.7Very high53 Ų5320.4 Ų20.425%0.24811%0.109CC..THydrogen-bonded Turntrans-63.5145.5-169.4-43.1104.4-16900112.8E315 T334 R349 W350E315-E332 HydrophobicContact CB-CB 4.45Å; E315-E332 HydrophobicContact CB-CG 4.26Å; E315-E332 CarbonylContact O-C 3.52Å; E315-E332 VanDerWaalsContact O-CA 3.25Å; E315-E332 WeakPolarHBondContact O-CA 3.39Å; E315-E332 WeakPolarHBondContact O-CB 3.41Å; E332-T334 PolarHBondContact O-N 2.8Å; E332-T334 VanDerWaalsContact O-N 3.13Å; E332-R349 VanDerWaalsContact CD-CZ 3.49Å; E332-R349 VanDerWaalsContact O-CA 3.27Å; E332-R349 WeakPolarHBondContact O-CA 3.17Å; E332-R349 IonicContact OE1-CZ 3.34Å; E332-R349 IonicContact OE1-NE 3.82Å; E332-R349 IonicContact OE1-NH1 3.74Å; E332-R349 IonicContact OE1-NH2 3.88Å; E332-R349 PolarHBondContact OE1-NH2 2.8Å; E332-R349 WeakPolarHBondContact OE2-CD 3.29Å; E332-R349 WeakPolarHBondContact OE2-CG 3.42Å; E332-R349 IonicContact OE2-CZ 2.81Å; E332-R349 IonicContact OE2-NE 3.54Å; E332-R349 PolarHBondContact OE2-NE 2.92Å; E332-R349 IonicContact OE2-NH1 2.95Å; E332-R349 PolarHBondContact OE2-NH1 3.45Å; E332-R349 IonicContact OE2-NH2 3.71Å; E332-R349 PolarHBondContact OE2-NH2 3.05Å; E332-W350 PolarHBondContact O-N 2.84Å
333H96Very high93.3Very high84 Ų8421.8 Ų21.839%0.38911%0.114SC..THydrogen-bonded Turntrans59.420.4176.1-51.9-68.8000115.4E315 W350E315-H333 PolarHBondContact O-N 2.92Å; H333-W350 HydrophobicContact CB-CD2 3.74Å; H333-W350 HydrophobicContact CB-CE3 3.45Å; H333-W350 VanDerWaalsContact CB-CE3 3.45Å; H333-W350 HydrophobicContact CB-CG 4.49Å; H333-W350 HydrophobicContact CB-CH2 3.87Å; H333-W350 HydrophobicContact CB-CZ2 4.14Å; H333-W350 HydrophobicContact CB-CZ3 3.52Å; H333-W350 AromaticContact CD2-CE2 3.8Å; H333-W350 AromaticContact CD2-CH2 3.43Å; H333-W350 VanDerWaalsContact CD2-CH2 3.43Å; H333-W350 WeakPolarHBondContact CD2-CH2 3.5Å; H333-W350 AromaticContact CD2-CZ2 3.29Å; H333-W350 WeakPolarHBondContact CD2-CZ2 3.25Å; H333-W350 AromaticContact CG-CH2 3.51Å; H333-W350 AromaticContact CG-CZ2 3.79Å; H333-W350 AromaticContact CG-CZ3 3.66Å; H333-W350 AromaticContact NE2-CH2 3.93Å; H333-W350 AromaticContact NE2-CZ2 3.97Å
334T93.4Very high92.9Very high1 Ų123.7 Ų23.71%0.00614%0.135CC..  trans-75.1145.6172.3-56.40000111.7V317 R318 Q331 E332 V336 V347 G348 A351V317-T334 CarbonylContact C-O 3.6Å; V317-T334 VanDerWaalsContact CA-O 3.28Å; V317-T334 WeakPolarHBondContact CA-O 3.37Å; R318-T334 PolarHBondContact N-O 3.45Å; Q331-T334 PolarHBondContact O-OG1 2.84Å; E332-T334 PolarHBondContact O-N 2.8Å; E332-T334 VanDerWaalsContact O-N 3.13Å; T334-V336 HydrophobicContact CG2-CG2 3.99Å; T334-V347 HydrophobicContact CG2-CB 3.92Å; T334-V347 HydrophobicContact CG2-CG1 3.35Å; T334-G348 PolarHBondContact OG1-O 2.71Å; T334-A351 CarbonylContact C-O 3.55Å; T334-A351 WeakPolarHBondContact CA-O 3.28Å; T334-A351 HydrophobicContact CG2-CB 4.31Å; T334-A351 WeakPolarHBondContact CG2-O 3.4Å
335C95.2Very high92.5Very high22 Ų2223.7 Ų23.715%0.14913%0.134CC..EExtended strand (participates in β ladder)trans-121.4121.4173.4-174.70000110.5R318 A351 R352 V353R318-C335 CarbonylContact O-C 3.48Å; R318-C335 WeakPolarHBondContact O-CA 3.47Å; C335-A351 PolarHBondContact N-O 2.81Å; C335-R352 HydrophobicContact CB-CG 4.42Å; C335-R352 CarbonylContact O-C 3.56Å; C335-R352 WeakPolarHBondContact O-CA 3.18Å; C335-R352 PolarHBondContact SG-NH1 2.84Å; C335-V353 PolarHBondContact O-N 3.44Å
336V94.7Very high92.3Very high0 Ų026 Ų260%015%0.149CC..EExtended strand (participates in β ladder)trans-122.1124.2176.5-173.70000110R318 L319 R320 T334 V341 V353R318-V336 PolarHBondContact O-N 3.36Å; L319-V336 WeakPolarHBondContact CA-O 3.39Å; L319-V336 HydrophobicContact CD2-CB 3.47Å; L319-V336 VanDerWaalsContact CD2-CB 3.47Å; L319-V336 HydrophobicContact CD2-CG1 4.43Å; L319-V336 HydrophobicContact CD2-CG2 3.8Å; R320-V336 PolarHBondContact N-O 3.1Å; R320-V336 VanDerWaalsContact N-O 3.1Å; T334-V336 HydrophobicContact CG2-CG2 3.99Å; V336-V341 HydrophobicContact CG1-CG2 3.97Å; V336-V341 HydrophobicContact CG2-CG2 4.4Å; V336-V353 CarbonylContact C-O 3.54Å; V336-V353 VanDerWaalsContact CA-O 3.28Å; V336-V353 WeakPolarHBondContact CA-O 3.34Å; V336-V353 HydrophobicContact CB-CB 4.39Å; V336-V353 HydrophobicContact CG1-CB 4.13Å; V336-V353 HydrophobicContact CG1-CG1 4.2Å; V336-V353 HydrophobicContact CG2-CB 4.17Å; V336-V353 HydrophobicContact CG2-CG2 4.46Å
337L92.8Very high92.2Very high14 Ų1421.9 Ų21.97%0.07313%0.13CC..EExtended strand (participates in β ladder)trans-132.8135.4-174.4-51.6174.7000109.9R320 S339 V353 E354 V355R320-L337 HydrophobicContact CB-CD2 3.67Å; R320-L337 WeakPolarHBondContact O-CA 3.34Å; L337-S339 PolarHBondContact O-N 3.21Å; L337-S339 VanDerWaalsContact O-N 3.15Å; L337-S339 PolarHBondContact O-OG 3.32Å; L337-V353 PolarHBondContact N-O 2.89Å; L337-E354 HydrophobicContact CB-CB 4.19Å; L337-E354 HydrophobicContact CB-CG 3.99Å; L337-E354 HydrophobicContact CD1-CG 4.32Å; L337-E354 WeakPolarHBondContact CD1-OE1 3.45Å; L337-E354 WeakPolarHBondContact O-CA 3.3Å; L337-V355 PolarHBondContact O-N 3.35Å
338H90.6Very high92Very high19 Ų1921 Ų219%0.08812%0.121CC..SBendtrans5435.6173.3-53.6-70.7000113.8L255 R320 E321 S322 V355L255-H338 WeakPolarHBondContact CD1-O 3.36Å; R320-H338 PolarHBondContact NH2-NE2 3.12Å; R320-H338 PolarHBondContact O-N 3Å; E321-H338 VanDerWaalsContact CB-ND1 3.34Å; E321-H338 WeakPolarHBondContact CB-ND1 3.47Å; E321-H338 CarbonylContact O-C 3.43Å; E321-H338 WeakPolarHBondContact O-CA 3.21Å; E321-H338 PolarHBondContact O-N 2.8Å; S322-H338 PolarHBondContact OG-N 2.8Å; H338-V355 HydrophobicContact CB-CB 4.4Å; H338-V355 WeakPolarHBondContact CB-O 3.28Å; H338-V355 WeakPolarHBondContact O-CB 3.5Å; H338-V355 WeakPolarHBondContact O-CG2 3.27Å
339S90.1Very high91.8Very high0 Ų027.4 Ų27.40%015%0.145CC..  trans-136.3158.1-167.2-61.80000113.1E321 S322 I323 L337E321-S339 PolarHBondContact O-N 2.96Å; S322-S339 CarbonylContact C-O 3.56Å; S322-S339 WeakPolarHBondContact CA-O 3.27Å; S322-S339 WeakPolarHBondContact CB-O 3.49Å; S322-S339 PolarHBondContact OG-N 3.41Å; S322-S339 PolarHBondContact OG-O 3.37Å; I323-S339 PolarHBondContact N-O 3.06Å; L337-S339 PolarHBondContact O-N 3.21Å; L337-S339 VanDerWaalsContact O-N 3.15Å; L337-S339 PolarHBondContact O-OG 3.32Å
340I90.9Very high91.6Very high0 Ų034.1 Ų34.10%017%0.166CC..EExtended strand (participates in β ladder)trans-109.9115.7169.2-56.3-175.1000108.4L20 F29 A251 A254 L255 I323 L325 L382L20-I340 HydrophobicContact CD1-CD1 4.23Å; L20-I340 HydrophobicContact CD1-CG2 4.14Å; L20-I340 HydrophobicContact CD2-CG2 4.37Å; F29-I340 HydrophobicContact CZ-CD1 4.1Å; F29-I340 HydrophobicContact CZ-CG2 4.38Å; A251-I340 HydrophobicContact CB-CD1 4.03Å; A251-I340 WeakPolarHBondContact O-CD1 3.42Å; A254-I340 HydrophobicContact CB-CD1 4.33Å; L255-I340 HydrophobicContact CD1-CG1 4.31Å; L255-I340 HydrophobicContact CD2-CD1 4.38Å; L255-I340 HydrophobicContact CD2-CG1 3.72Å; L255-I340 HydrophobicContact CG-CD1 4.18Å; L255-I340 HydrophobicContact CG-CG1 3.88Å; I323-I340 HydrophobicContact CB-CG1 4.21Å; I323-I340 HydrophobicContact CB-CG2 4.28Å; I323-I340 HydrophobicContact CD1-CD1 4.12Å; I323-I340 HydrophobicContact CD1-CG1 4.33Å; I323-I340 HydrophobicContact CG2-CG2 4.48Å; I323-I340 CarbonylContact O-C 3.53Å; I323-I340 VanDerWaalsContact O-CA 3.27Å; I323-I340 WeakPolarHBondContact O-CA 3.34Å; L325-I340 HydrophobicContact CD1-CG2 3.77Å; L325-I340 HydrophobicContact CG-CG2 4.02Å; I340-L382 HydrophobicContact CB-CD2 4.01Å; I340-L382 HydrophobicContact CG2-CD2 4.25Å
341V92.3Very high91.2Very high0 Ų035.1 Ų35.10%017%0.174CC..EExtended strand (participates in β ladder)trans-84.8122.6172.8-178.30000108.2I323 V324 L325 A328 L330 V336 V347I323-V341 PolarHBondContact O-N 3.06Å; V324-V341 HydrophobicContact CG1-CB 4.14Å; V324-V341 HydrophobicContact CG1-CG1 4.43Å; V324-V341 HydrophobicContact CG2-CB 4.47Å; V324-V341 HydrophobicContact CG2-CG2 4.33Å; L325-V341 VanDerWaalsContact CB-O 3.28Å; L325-V341 WeakPolarHBondContact CB-O 3.21Å; L325-V341 VanDerWaalsContact CG-O 3.28Å; L325-V341 WeakPolarHBondContact CG-O 3.42Å; L325-V341 PolarHBondContact N-O 3.27Å; A328-V341 HydrophobicContact CB-CG1 3.85Å; L330-V341 HydrophobicContact CD2-CG1 4.17Å; L330-V341 HydrophobicContact CD2-CG2 4.25Å; V336-V341 HydrophobicContact CG1-CG2 3.97Å; V336-V341 HydrophobicContact CG2-CG2 4.4Å; V341-V347 HydrophobicContact CG1-CG2 4.03Å; V341-V347 HydrophobicContact CG2-CG2 4.38Å
342G88.3Confident91Very high3 Ų338.5 Ų38.53%0.03118%0.183CC..PPolyproline II helixtrans-65.2168.2-174.900000114.6S345 L383G342-S345 WeakPolarHBondContact O-CB 3.28Å; G342-S345 PolarHBondContact O-N 2.77Å; G342-S345 PolarHBondContact O-OG 3.15Å; G342-L383 WeakPolarHBondContact CA-O 3.38Å; G342-L383 PolarHBondContact N-O 3.13Å
343W86.4Confident90.5Very high29 Ų2936.6 Ų36.611%0.1118%0.175CC..THydrogen-bonded Turntrans-56.7138.4175.9-49105.4000111.2E23 V24 F29 P30 L325 H326 S345E23-W343 HydrophobicContact CB-CG 4.44Å; E23-W343 VanDerWaalsContact CD-CB 3.48Å; E23-W343 WeakPolarHBondContact OE2-CB 3.23Å; V24-W343 HydrophobicContact CG1-CZ2 4.3Å; V24-W343 HydrophobicContact CG2-CH2 4.18Å; V24-W343 HydrophobicContact CG2-CZ2 3.43Å; V24-W343 VanDerWaalsContact CG2-CZ2 3.43Å; F29-W343 HydrophobicContact CD2-CZ2 4.44Å; P30-W343 HydrophobicContact CG-CH2 3.78Å; P30-W343 HydrophobicContact CG-CZ2 4.38Å; L325-W343 HydrophobicContact CB-CD2 3.75Å; L325-W343 HydrophobicContact CB-CE3 3.67Å; L325-W343 HydrophobicContact CB-CG 4.24Å; L325-W343 HydrophobicContact CB-CH2 4.43Å; L325-W343 HydrophobicContact CB-CZ2 4.49Å; L325-W343 HydrophobicContact CB-CZ3 4.04Å; L325-W343 HydrophobicContact CD1-CD2 4.03Å; L325-W343 HydrophobicContact CD1-CG 4.31Å; L325-W343 HydrophobicContact CD1-CZ2 4.05Å; L325-W343 HydrophobicContact CD2-CH2 4.11Å; L325-W343 HydrophobicContact CD2-CZ2 4.1Å; L325-W343 HydrophobicContact CD2-CZ3 4.45Å; L325-W343 HydrophobicContact CG-CD2 4.41Å; L325-W343 HydrophobicContact CG-CZ2 4.46Å; H326-W343 HydrophobicContact CB-CE3 3.53Å; H326-W343 HydrophobicContact CB-CZ3 3.49Å; H326-W343 VanDerWaalsContact CB-CZ3 3.49Å; H326-W343 VanDerWaalsContact N-CE3 3.28Å; H326-W343 WeakPolarHBondContact O-CA 3.37Å; W343-S345 PolarHBondContact O-N 2.94Å; W343-S345 PolarHBondContact O-OG 2.94Å
344G87.3Confident90Very high43 Ų4335.9 Ų35.944%0.44317%0.172SC..THydrogen-bonded Turntrans56.810.2176.700000115.9H326H326-G344 PolarHBondContact O-N 2.83Å
345S87.5Confident89Confident0 Ų037.5 Ų37.50%018%0.182CC..  trans-85.5147.3-167.7-64.80000111.8A328 T329 G342 W343 L383A328-S345 CarbonylContact C-O 3.58Å; A328-S345 WeakPolarHBondContact CA-O 3.32Å; A328-S345 WeakPolarHBondContact CB-O 3.36Å; T329-S345 PolarHBondContact N-O 2.84Å; G342-S345 WeakPolarHBondContact O-CB 3.28Å; G342-S345 PolarHBondContact O-N 2.77Å; G342-S345 PolarHBondContact O-OG 3.15Å; W343-S345 PolarHBondContact O-N 2.94Å; W343-S345 PolarHBondContact O-OG 2.94Å; S345-L383 VanDerWaalsContact OG-C 3.27Å; S345-L383 PolarHBondContact OG-O 3.39Å
346T90.4Very high87.4Confident51 Ų5139.6 Ų39.631%0.31320%0.195SC..EExtended strand (participates in β ladder)trans-111.5125.1178.3-61.60000111.3T329 Q331T329-T346 HydrophobicContact CG2-CG2 4.49Å; T329-T346 CarbonylContact O-C 2.96Å; T329-T346 VanDerWaalsContact O-CA 3.3Å; T329-T346 WeakPolarHBondContact O-CA 3.49Å; Q331-T346 HydrophobicContact CG-CG2 4.21Å
347V90.3Very high85.6Confident0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-99.4119.7170.6-160.60000108.7T329 L330 Q331 T334 V341 A351 V353 L383T329-V347 PolarHBondContact O-N 3.04Å; L330-V347 HydrophobicContact CD2-CB 3.92Å; L330-V347 HydrophobicContact CD2-CG2 3.27Å; Q331-V347 WeakPolarHBondContact CB-O 3.47Å; Q331-V347 WeakPolarHBondContact CG-O 3.39Å; Q331-V347 PolarHBondContact N-O 3.18Å; T334-V347 HydrophobicContact CG2-CB 3.92Å; T334-V347 HydrophobicContact CG2-CG1 3.35Å; V341-V347 HydrophobicContact CG1-CG2 4.03Å; V341-V347 HydrophobicContact CG2-CG2 4.38Å; V347-A351 HydrophobicContact CG1-CB 3.92Å; V347-V353 HydrophobicContact CG1-CG2 3.75Å; V347-L383 HydrophobicContact CB-CD1 4.27Å; V347-L383 HydrophobicContact CG1-CD1 4.24Å; V347-L383 HydrophobicContact CG2-CD1 3.43Å; V347-L383 VanDerWaalsContact CG2-CD1 3.43Å
348G87.1Confident83.3Confident9 Ų947.7 Ų47.79%0.09325%0.247CC..PPolyproline II helixtrans-65.4161.3-176.200000114T334 A351T334-G348 PolarHBondContact OG1-O 2.71Å; G348-A351 WeakPolarHBondContact O-CB 3.25Å; G348-A351 PolarHBondContact O-N 2.96Å
349R91.4Very high81Confident134 Ų13448.8 Ų48.851%0.50626%0.255SS..THydrogen-bonded Turntrans-55143.3176.5-61.8172-171.4-132.9-12.9110.9Q331 E332 A351Q331-R349 HydrophobicContact CB-CB 4.44Å; Q331-R349 HydrophobicContact CB-CG 3.67Å; Q331-R349 VanDerWaalsContact OE1-N 3.14Å; E332-R349 VanDerWaalsContact CD-CZ 3.49Å; E332-R349 VanDerWaalsContact O-CA 3.27Å; E332-R349 WeakPolarHBondContact O-CA 3.17Å; E332-R349 IonicContact OE1-CZ 3.34Å; E332-R349 IonicContact OE1-NE 3.82Å; E332-R349 IonicContact OE1-NH1 3.74Å; E332-R349 IonicContact OE1-NH2 3.88Å; E332-R349 PolarHBondContact OE1-NH2 2.8Å; E332-R349 WeakPolarHBondContact OE2-CD 3.29Å; E332-R349 WeakPolarHBondContact OE2-CG 3.42Å; E332-R349 IonicContact OE2-CZ 2.81Å; E332-R349 IonicContact OE2-NE 3.54Å; E332-R349 PolarHBondContact OE2-NE 2.92Å; E332-R349 IonicContact OE2-NH1 2.95Å; E332-R349 PolarHBondContact OE2-NH1 3.45Å; E332-R349 IonicContact OE2-NH2 3.71Å; E332-R349 PolarHBondContact OE2-NH2 3.05Å; R349-A351 PolarHBondContact O-N 2.92Å
350W91.1Very high78.7Confident185 Ų18550.4 Ų50.470%0.70126%0.263SS*.THydrogen-bonded Turntrans59.410.5177.5-5198.3000115.4E332 H333E332-W350 PolarHBondContact O-N 2.84Å; H333-W350 HydrophobicContact CB-CD2 3.74Å; H333-W350 HydrophobicContact CB-CE3 3.45Å; H333-W350 VanDerWaalsContact CB-CE3 3.45Å; H333-W350 HydrophobicContact CB-CG 4.49Å; H333-W350 HydrophobicContact CB-CH2 3.87Å; H333-W350 HydrophobicContact CB-CZ2 4.14Å; H333-W350 HydrophobicContact CB-CZ3 3.52Å; H333-W350 AromaticContact CD2-CE2 3.8Å; H333-W350 AromaticContact CD2-CH2 3.43Å; H333-W350 VanDerWaalsContact CD2-CH2 3.43Å; H333-W350 WeakPolarHBondContact CD2-CH2 3.5Å; H333-W350 AromaticContact CD2-CZ2 3.29Å; H333-W350 WeakPolarHBondContact CD2-CZ2 3.25Å; H333-W350 AromaticContact CG-CH2 3.51Å; H333-W350 AromaticContact CG-CZ2 3.79Å; H333-W350 AromaticContact CG-CZ3 3.66Å; H333-W350 AromaticContact NE2-CH2 3.93Å; H333-W350 AromaticContact NE2-CZ2 3.97Å
351A88Confident76.3Confident21 Ų2154.5 Ų54.517%0.17429%0.288CS..  trans-75145.9179.100000111.2T334 C335 V347 G348 R349T334-A351 CarbonylContact C-O 3.55Å; T334-A351 WeakPolarHBondContact CA-O 3.28Å; T334-A351 HydrophobicContact CG2-CB 4.31Å; T334-A351 WeakPolarHBondContact CG2-O 3.4Å; C335-A351 PolarHBondContact N-O 2.81Å; V347-A351 HydrophobicContact CG1-CB 3.92Å; G348-A351 WeakPolarHBondContact O-CB 3.25Å; G348-A351 PolarHBondContact O-N 2.96Å; R349-A351 PolarHBondContact O-N 2.92Å
352R90.2Very high73.8Confident140 Ų14057.4 Ų57.453%0.52831%0.307SS..EExtended strand (participates in β ladder)trans-115.5122.1168.4-175.1-178.7-179.289-7.8109.5C335 E354C335-R352 HydrophobicContact CB-CG 4.42Å; C335-R352 CarbonylContact O-C 3.56Å; C335-R352 WeakPolarHBondContact O-CA 3.18Å; C335-R352 PolarHBondContact SG-NH1 2.84Å; R352-E354 IonicContact CZ-OE2 3.46Å; R352-E354 VanDerWaalsContact CZ-OE2 3.24Å; R352-E354 IonicContact NE-OE2 3.16Å; R352-E354 PolarHBondContact NE-OE2 3.13Å; R352-E354 IonicContact NH2-OE1 3.02Å; R352-E354 PolarHBondContact NH2-OE1 3.32Å; R352-E354 IonicContact NH2-OE2 3.45Å; R352-E354 PolarHBondContact NH2-OE2 3.49Å
353V87.8Confident71.6Confident13 Ų1358.9 Ų58.98%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-116.5114.8177.3-177.10000107.3C335 V336 L337 V347 C381C335-V353 PolarHBondContact O-N 3.44Å; V336-V353 CarbonylContact C-O 3.54Å; V336-V353 VanDerWaalsContact CA-O 3.28Å; V336-V353 WeakPolarHBondContact CA-O 3.34Å; V336-V353 HydrophobicContact CB-CB 4.39Å; V336-V353 HydrophobicContact CG1-CB 4.13Å; V336-V353 HydrophobicContact CG1-CG1 4.2Å; V336-V353 HydrophobicContact CG2-CB 4.17Å; V336-V353 HydrophobicContact CG2-CG2 4.46Å; L337-V353 PolarHBondContact N-O 2.89Å; V347-V353 HydrophobicContact CG1-CG2 3.75Å; V353-C381 HydrophobicContact CG1-CB 3.11Å
354E84.7Confident69.1Low70 Ų7062.1 Ų62.133%0.32733%0.334SS..EExtended strand (participates in β ladder)trans-147.5135.2-178.2178.6169.5-141.900110.7L337 R352L337-E354 HydrophobicContact CB-CB 4.19Å; L337-E354 HydrophobicContact CB-CG 3.99Å; L337-E354 HydrophobicContact CD1-CG 4.32Å; L337-E354 WeakPolarHBondContact CD1-OE1 3.45Å; L337-E354 WeakPolarHBondContact O-CA 3.3Å; R352-E354 IonicContact CZ-OE2 3.46Å; R352-E354 VanDerWaalsContact CZ-OE2 3.24Å; R352-E354 IonicContact NE-OE2 3.16Å; R352-E354 PolarHBondContact NE-OE2 3.13Å; R352-E354 IonicContact NH2-OE1 3.02Å; R352-E354 PolarHBondContact NH2-OE1 3.32Å; R352-E354 IonicContact NH2-OE2 3.45Å; R352-E354 PolarHBondContact NH2-OE2 3.49Å
355V72.9Confident66.4Low34 Ų3465.8 Ų65.821%0.20635%0.35CS..  trans-101.2130164.1-175.20000107.6L337 H338L337-V355 PolarHBondContact O-N 3.35Å; H338-V355 HydrophobicContact CB-CB 4.4Å; H338-V355 WeakPolarHBondContact CB-O 3.28Å; H338-V355 WeakPolarHBondContact O-CB 3.5Å; H338-V355 WeakPolarHBondContact O-CG2 3.27Å
356P61.2Low63.9Low66 Ų6671.9 Ų71.943%0.42938%0.379SS..  trans-54.5139175.4-24.132.8000110.8V358P356-V358 PolarHBondContact O-N 2.94Å
357P56Low60.9Low85 Ų8573 Ų7355%0.55239%0.387SS*.SBendtrans-66.91-17723.6-31.6000114.7T359P357-T359 PolarHBondContact O-N 2.83Å
358V44.6Very low57.8Low100 Ų10077.9 Ų77.961%0.60643%0.427SS*.THydrogen-bonded Turntrans-79.786.5173.7-172.50000108.2P356 W369P356-V358 PolarHBondContact O-N 2.94Å; V358-W369 VanDerWaalsContact O-CH2 3.23Å; V358-W369 WeakPolarHBondContact O-CH2 3.19Å
359T43.5Very low55.4Low42 Ų4282.4 Ų82.426%0.25844%0.442SS..THydrogen-bonded Turntrans142.446.6163.449.30000113.8P357 I364 W369P357-T359 PolarHBondContact O-N 2.83Å; T359-I364 HydrophobicContact CG2-CB 4.39Å; T359-W369 HydrophobicContact CG2-CH2 3.78Å; T359-W369 HydrophobicContact CG2-CZ2 3.73Å
360L41.9Very low52.1Low34 Ų3482 Ų8218%0.17845%0.454CS..  trans-99.66.7165-65.7176.8000113.2L255 R259L255-L360 HydrophobicContact CB-CD2 4.32Å; L255-L360 HydrophobicContact CD1-CD2 4.41Å; R259-L360 VanDerWaalsContact NH2-CD1 3.32Å
361T39.3Very low49.3Very low85 Ų8576.7 Ų76.752%0.52144%0.442SS..SBendtrans-93.5135.5167.729.10000110.2T363T361-T363 PolarHBondContact O-N 3.04Å
362P41.1Very low46.5Very low62 Ų6287.7 Ų87.740%0.40348%0.479SS..THydrogen-bonded Turntrans-68.114.7-165.322.9-32.4000117.3
363T41.9Very low43.6Very low34 Ų3484.1 Ų84.121%0.20948%0.479CS..THydrogen-bonded Turntrans-135.211.9-156.750.30000118.9Q148 T361Q148-T363 HydrophobicContact CB-CG2 4.23Å; Q148-T363 HydrophobicContact CG-CG2 3.56Å; T361-T363 PolarHBondContact O-N 3.04Å
364I33.9Very low41Very low97 Ų9788.2 Ų88.250%0.49751%0.508SS..  trans-109.4124.9176.7-54.6-179.9000110.1T359 E366T359-I364 HydrophobicContact CG2-CB 4.39Å; I364-E366 PolarHBondContact O-N 3.06Å
365P30.2Very low38.4Very low120 Ų12088.8 Ų88.878%0.77952%0.52SS*.PPolyproline II helixtrans-62.7121.1167.124-27.9000108.8P367P365-P367 VanDerWaalsContact O-CD 3.28Å; P365-P367 WeakPolarHBondContact O-CD 3.41Å
366E35.2Very low36.3Very low128 Ų12898 Ų9860%0.59855%0.551SS**PPolyproline II helixtrans-53.8117.7-169.8-64.5-176.3-176.500112.8I364I364-E366 PolarHBondContact O-N 3.06Å
367P26.1Very low34.9Very low73 Ų7398.8 Ų98.847%0.47456%0.555SS.*PPolyproline II helixtrans-77155.3161.330.9-31.3000110.7P365 W369P365-P367 VanDerWaalsContact O-CD 3.28Å; P365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-W369 HydrophobicContact CG-CH2 4.13Å; P367-W369 HydrophobicContact CG-CZ2 4.02Å; P367-W369 PolarHBondContact O-N 3.31Å; P367-W369 PolarHBondContact O-NE1 2.76Å
368A26.8Very low33.4Very low103 Ų10397.9 Ų97.985%0.85156%0.561SS**PPolyproline II helixtrans-52.6130.1-179.100000113.1
369W35.5Very low32.7Very low105 Ų10596.1 Ų96.140%0.39855%0.553SS.*  trans-107.7139.2-171-58.6107.1000113.6V358 T359 P367V358-W369 VanDerWaalsContact O-CH2 3.23Å; V358-W369 WeakPolarHBondContact O-CH2 3.19Å; T359-W369 HydrophobicContact CG2-CH2 3.78Å; T359-W369 HydrophobicContact CG2-CZ2 3.73Å; P367-W369 HydrophobicContact CG-CH2 4.13Å; P367-W369 HydrophobicContact CG-CZ2 4.02Å; P367-W369 PolarHBondContact O-N 3.31Å; P367-W369 PolarHBondContact O-NE1 2.76Å
370T23.1Very low32.3Very low124 Ų12495.7 Ų95.776%0.76155%0.552SS**  trans-100.8127-175.7-48.80000111.5
371V31.5Very low32.5Very low74 Ų7496 Ų9645%0.44856%0.556SS.*  trans-88.2135.3167.9175.50000109.4A373V371-A373 WeakPolarHBondContact CG1-O 3.32Å
372R28.4Very low32.8Very low252 Ų25293.2 Ų93.295%0.95154%0.538SS*.  trans-117.875.3160.8-81-165.5-174.9-1703.3110.7
373A29.6Very low32.8Very low65 Ų6591.3 Ų91.354%0.53752%0.524SS..SBendtrans-158.9143.5147.300000105.2V371 S375V371-A373 WeakPolarHBondContact CG1-O 3.32Å; A373-S375 PolarHBondContact O-N 2.99Å
374S33.1Very low32.4Very low99 Ų9991.3 Ų91.369%0.69253%0.525SS*.SBendtrans-59.985.3-174.451.40000113.3
375S30.5Very low32.3Very low82 Ų8290.7 Ų90.757%0.57353%0.528SS*.SBendtrans165133.9148.444.60000109.4A373A373-S375 PolarHBondContact O-N 2.99Å
376R28.6Very low32.2Very low228 Ų22889.9 Ų89.986%0.8653%0.525SS*.  trans-78.7138.4-172.3-64.9177.2-158.8-177.64.9111.6W387R376-W387 WeakPolarHBondContact O-CH2 3.43Å
377T32.4Very low32Very low83 Ų8388.3 Ų88.351%0.50951%0.514SS..  trans-160.3148.3141.919.10000110.5W387T377-W387 HydrophobicContact CG2-CH2 3.24Å; T377-W387 HydrophobicContact CG2-CZ2 3.34Å; T377-W387 HydrophobicContact CG2-CZ3 3.93Å; T377-W387 VanDerWaalsContact OG1-CZ3 3.25Å; T377-W387 WeakPolarHBondContact OG1-CZ3 3.35Å
378G24.9Very low32.2Very low65 Ų6588.4 Ų88.467%0.6752%0.52SS*.  trans-88.8160.8-169.100000116
379S28.4Very low32.7Very low63 Ų6385 Ų8544%0.44149%0.492SS..SBendtrans41.8107.8176.376.90000118.8
380C36.1Very low32.5Very low34 Ų3488 Ų8823%0.2351%0.511CS..SBendtrans58.6146.8-170.7-158.30000110.6L382C380-L382 HydrophobicContact CB-CD1 4.45Å; C380-L382 HydrophobicContact CB-CD2 4.42Å; C380-L382 HydrophobicContact CB-CG 4Å; C380-L382 PolarHBondContact O-N 2.81Å
381C45.6Very low33Very low41 Ų4187.1 Ų87.128%0.27751%0.51SS..  trans-75.167.2174-74.40000110.1V353 L383V353-C381 HydrophobicContact CG1-CB 3.11Å; C381-L383 VanDerWaalsContact C-N 3.31Å; C381-L383 PolarHBondContact O-N 2.91Å
382L45.4Very low33Very low25 Ų2586.1 Ų86.113%0.13151%0.514CS..  trans-75.388.6169.8-61175.6000106.7P19 L20 I340 C380 S384P19-L382 HydrophobicContact CG-CB 4.45Å; P19-L382 HydrophobicContact CG-CD1 4.08Å; L20-L382 HydrophobicContact CD1-CD2 3.6Å; L20-L382 HydrophobicContact CD2-CD2 3.73Å; L20-L382 HydrophobicContact CG-CD1 4.32Å; L20-L382 HydrophobicContact CG-CD2 3.7Å; I340-L382 HydrophobicContact CB-CD2 4.01Å; I340-L382 HydrophobicContact CG2-CD2 4.25Å; C380-L382 HydrophobicContact CB-CD1 4.45Å; C380-L382 HydrophobicContact CB-CD2 4.42Å; C380-L382 HydrophobicContact CB-CG 4Å; C380-L382 PolarHBondContact O-N 2.81Å; L382-S384 PolarHBondContact O-N 3.42Å
383L42.4Very low32.9Very low23 Ų2379.6 Ų79.612%0.1251%0.507CS..  trans-65.1126.4164-68164.9000106.6G342 S345 V347 C381 W387G342-L383 WeakPolarHBondContact CA-O 3.38Å; G342-L383 PolarHBondContact N-O 3.13Å; S345-L383 VanDerWaalsContact OG-C 3.27Å; S345-L383 PolarHBondContact OG-O 3.39Å; V347-L383 HydrophobicContact CB-CD1 4.27Å; V347-L383 HydrophobicContact CG1-CD1 4.24Å; V347-L383 HydrophobicContact CG2-CD1 3.43Å; V347-L383 VanDerWaalsContact CG2-CD1 3.43Å; C381-L383 VanDerWaalsContact C-N 3.31Å; C381-L383 PolarHBondContact O-N 2.91Å; L383-W387 HydrophobicContact CD2-CB 4.41Å
384S33.2Very low32.7Very low33 Ų3384.1 Ų84.123%0.23152%0.521CS..  trans-99.7161.3174.869.80000109.2L382 S386 W387L382-S384 PolarHBondContact O-N 3.42Å; S384-S386 PolarHBondContact O-N 3.02Å; S384-W387 PolarHBondContact O-N 2.68Å; S384-W387 VanDerWaalsContact O-N 3.07Å
385P31.2Very low32.3Very low85 Ų8585 Ų8555%0.55253%0.525SS*.THydrogen-bonded Turntrans-57.8-15-171.2-23.831.5000115.6E23E23-P385 WeakPolarHBondContact OE1-CG 3.29Å
386S27.5Very low32Very low102 Ų10292.7 Ų92.771%0.71354%0.541SS*.THydrogen-bonded Turntrans-98.86.2-178.554.80000114.9S384S384-S386 PolarHBondContact O-N 3.02Å
387W32.7Very low31.8Very low96 Ų9688.3 Ų88.336%0.36454%0.544SS..  trans-109.6118.4-173.5-76.258.8000112.5R376 T377 L383 S384R376-W387 WeakPolarHBondContact O-CH2 3.43Å; T377-W387 HydrophobicContact CG2-CH2 3.24Å; T377-W387 HydrophobicContact CG2-CZ2 3.34Å; T377-W387 HydrophobicContact CG2-CZ3 3.93Å; T377-W387 VanDerWaalsContact OG1-CZ3 3.25Å; T377-W387 WeakPolarHBondContact OG1-CZ3 3.35Å; L383-W387 HydrophobicContact CD2-CB 4.41Å; S384-W387 PolarHBondContact O-N 2.68Å; S384-W387 VanDerWaalsContact O-N 3.07Å
388A30Very low31.6Very low74 Ų7489.5 Ų89.561%0.61256%0.556SS**BIsolated β-bridgetrans-97.3114.5162.400000108.6E390A388-E390 VanDerWaalsContact C-N 3.35Å; A388-E390 HydrophobicContact CB-CG 4.28Å; A388-E390 PolarHBondContact O-N 3.43Å; A388-E390 VanDerWaalsContact O-N 3.13Å
389A35.9Very low31.9Very low32 Ų3295.5 Ų95.526%0.26459%0.587SS.*  trans-78.988166.300000108.3
390E31.2Very low32.1Very low169 Ų16997.1 Ų97.179%0.7960%0.595SS**  trans-84.7142.4174-71.7-175.2169.600111.3A388 G392A388-E390 VanDerWaalsContact C-N 3.35Å; A388-E390 HydrophobicContact CB-CG 4.28Å; A388-E390 PolarHBondContact O-N 3.43Å; A388-E390 VanDerWaalsContact O-N 3.13Å; E390-G392 PolarHBondContact O-N 2.77Å
391S34.7Very low31.9Very low105 Ų105100.4 Ų100.473%0.73461%0.614SS**  trans-64113.1174.955.70000110.3S393S391-S393 PolarHBondContact O-N 3.18Å
392G30.9Very low31.1Very low53 Ų53103.7 Ų103.755%0.54663%0.633SS.*PPolyproline II helixtrans-57.6132.716600000110.4E390 L394E390-G392 PolarHBondContact O-N 2.77Å; G392-L394 PolarHBondContact O-N 3.46Å
393S27.1Very low30.3Very low114 Ų114108.4 Ų108.480%0.79766%0.662SS**PPolyproline II helixtrans-54131.4178.841.30000112.2S391S391-S393 PolarHBondContact O-N 3.18Å
394L25.1Very low29.5Very low161 Ų161113.7 Ų113.784%0.84370%0.696SS**PPolyproline II helixtrans-56.2126.1165.7-74.5159000108.9G392 R396G392-L394 PolarHBondContact O-N 3.46Å; L394-R396 PolarHBondContact O-N 3.18Å
395P25.2Very low29.3Very low118 Ų118119.1 Ų119.177%0.76673%0.727SS**PPolyproline II helixtrans-65.2121.216725.9-28.9000107.7C397P395-C397 PolarHBondContact O-N 3.07Å
396R23.9Very low29.1Very low242 Ų242121.5 Ų121.591%0.91374%0.739SS**PPolyproline II helixtrans-55.5123.4169.2-68.4-178.6-176.6-159.10.6107.9L394 S398L394-R396 PolarHBondContact O-N 3.18Å; R396-S398 PolarHBondContact O-N 3.25Å; R396-S398 VanDerWaalsContact O-N 3.07Å
397C25.1Very low29.3Very low137 Ų137123 Ų12393%0.92674%0.741SS**  trans-63.4106.7162.6-73.40000108.1P395P395-C397 PolarHBondContact O-N 3.07Å
398S26.5Very low29Very low107 Ų107125.3 Ų125.375%0.74877%0.773SS**  trans-83.7115.4157.651.30000108R396R396-S398 PolarHBondContact O-N 3.25Å; R396-S398 VanDerWaalsContact O-N 3.07Å
399S32.2Very low28.9Very low191 Ų191129.9 Ų129.9100%1.33679%0.788SS**  trans20.50160.860.40000119.1

Retrieved 399 of 399 residues in 389.6 ms (Link to these results)

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