A0A087XHY4_POEFO Loading...

Dual specificity phosphatase 28

AlphaFold DB , UniProt , Accession A0A087XHY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 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
1A37.1Very low71.7Confident165 Ų165101.1 Ų101.1100%1.36459%0.591SS**  0111.1000000107
2G45.6Very low73.9Confident80 Ų8093 Ų9383%0.82554%0.544SS*.  cis141.684.729.900000104.7
3S41.2Very low75.8Confident103 Ų10388.2 Ų88.272%0.7252%0.516SS*.  trans-125.570.8153.293.20000105.8R5S3-R5 PolarHBondContact O-N 3.27Å
4D48.3Very low77.3Confident138 Ų13894.8 Ų94.874%0.73854%0.536SS*.  trans-59.296.4153.2-157.18.3000104.2M6D4-M6 VanDerWaalsContact C-N 3.34Å; D4-M6 PolarHBondContact O-N 3.17Å
5R62.7Low78.6Confident147 Ų14789.3 Ų89.356%0.55551%0.507SS*.  trans-60.3107.8179.5-98.6-174.5-171.5-149.4-0.2104.4S3 L7S3-R5 PolarHBondContact O-N 3.27Å; R5-L7 PolarHBondContact O-N 3.4Å; R5-L7 VanDerWaalsContact O-N 3.13Å
6M74.4Confident79.9Confident163 Ų16383.7 Ų83.780%0.80348%0.475SS*.  trans-43.5124.7177.2-75.517866.600108.8D4 Q8D4-M6 VanDerWaalsContact C-N 3.34Å; D4-M6 PolarHBondContact O-N 3.17Å; M6-Q8 PolarHBondContact O-N 3.12Å
7L89.6Confident81Confident71 Ų7178.9 Ų78.937%0.37245%0.447SS..  trans-58.2131.1172.1-60.6-178.1000107.5R5 R22 L29R5-L7 PolarHBondContact O-N 3.4Å; R5-L7 VanDerWaalsContact O-N 3.13Å; L7-R22 HydrophobicContact CD2-CB 4.06Å; L7-R22 HydrophobicContact CD2-CG 3.64Å; L7-L29 HydrophobicContact CB-CD1 3.68Å
8Q94.9Very high82Confident102 Ų10274.5 Ų74.548%0.47742%0.423SS..  trans-154150.4178.759.4174.5-28.300110.7M6 S23M6-Q8 PolarHBondContact O-N 3.12Å; Q8-S23 PolarHBondContact N-OG 3.43Å; Q8-S23 VanDerWaalsContact N-OG 3.17Å; Q8-S23 VanDerWaalsContact O-CB 3.23Å; Q8-S23 WeakPolarHBondContact O-CB 3.29Å; Q8-S23 PolarHBondContact O-OG 2.84Å
9L97.7Very high82.9Confident14 Ų1470.6 Ų70.67%0.07340%0.4CS..  trans-100114164.8-52.4-173.9000107.4K11 F17 L29 I30 E33 V35 L90L9-K11 PolarHBondContact O-N 2.91Å; L9-F17 HydrophobicContact CB-CB 4.13Å; L9-F17 HydrophobicContact CB-CD1 3.87Å; L9-F17 HydrophobicContact CB-CG 4.26Å; L9-L29 HydrophobicContact CD1-CB 4.13Å; L9-L29 HydrophobicContact CD2-CB 4.5Å; L9-L29 HydrophobicContact CD2-CD1 4.4Å; L9-L29 HydrophobicContact CG-CB 4.05Å; L9-L29 HydrophobicContact CG-CD1 4.37Å; L9-I30 HydrophobicContact CD1-CD1 4.4Å; L9-E33 HydrophobicContact CB-CG 4.42Å; L9-E33 HydrophobicContact CD1-CB 4.1Å; L9-E33 HydrophobicContact CD1-CG 4.02Å; L9-V35 HydrophobicContact CD1-CG2 4.02Å; L9-L90 HydrophobicContact CD1-CD2 4.3Å; L9-L90 HydrophobicContact CD2-CD1 3.89Å; L9-L90 HydrophobicContact CD2-CD2 3.84Å
10C98.3Very high83.6Confident7 Ų768.9 Ų68.95%0.04739%0.39CS..EExtended strand (participates in β ladder)trans-80.9117.9-176.6-610000109.5V12 F17 I18 A126 R127C10-V12 PolarHBondContact O-N 2.71Å; C10-F17 CarbonylContact O-C 3.54Å; C10-F17 VanDerWaalsContact O-CA 3.3Å; C10-F17 WeakPolarHBondContact O-CA 3.29Å; C10-I18 HydrophobicContact CB-CG2 3.85Å; C10-I18 WeakPolarHBondContact CB-O 3.47Å; C10-I18 PolarHBondContact N-O 2.74Å; C10-I18 PolarHBondContact O-N 3.08Å; C10-A126 HydrophobicContact CB-CB 4.5Å; C10-A126 VanDerWaalsContact CB-O 3.3Å; C10-A126 WeakPolarHBondContact CB-O 3.18Å; C10-R127 HydrophobicContact CB-CB 4.02Å
11K98.5Very high84.3Confident122 Ų12265.9 Ų65.953%0.5337%0.374SS..EExtended strand (participates in β ladder)trans-73.4116.9-177.8-170.9175.7-175.21690111.7L9 T13 F17 A126L9-K11 PolarHBondContact O-N 2.91Å; K11-T13 VanDerWaalsContact CE-O 3.32Å; K11-T13 WeakPolarHBondContact CE-O 3.09Å; K11-T13 WeakPolarHBondContact CG-O 3.3Å; K11-F17 HydrophobicContact CB-CD1 3.97Å; K11-F17 HydrophobicContact CB-CE1 3.78Å; K11-F17 HydrophobicContact CD-CE1 4.36Å; K11-F17 HydrophobicContact CG-CD1 4.37Å; K11-F17 HydrophobicContact CG-CE1 3.93Å; K11-F17 HydrophobicContact CG-CZ 4.33Å; K11-A126 VanDerWaalsContact O-CB 3.24Å; K11-A126 WeakPolarHBondContact O-CB 3.3Å
12V98.6Very high87.2Confident4 Ų466.1 Ų66.12%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-92.3-42.5175.9-176.90000110.7C10 L16 I18 L108 R122 V123 A126C10-V12 PolarHBondContact O-N 2.71Å; V12-L16 HydrophobicContact CB-CB 4.49Å; V12-L16 HydrophobicContact CB-CD2 4.26Å; V12-L16 HydrophobicContact CB-CG 4.18Å; V12-L16 HydrophobicContact CG1-CD2 4.24Å; V12-L16 PolarHBondContact N-O 3.37Å; V12-I18 HydrophobicContact CG2-CB 4.11Å; V12-I18 HydrophobicContact CG2-CG2 3.63Å; V12-L108 HydrophobicContact CG1-CD1 3.94Å; V12-R122 HydrophobicContact CG1-CG 4.12Å; V12-V123 HydrophobicContact CG1-CG2 3.93Å; V12-A126 HydrophobicContact CG2-CB 4.03Å
13T98.3Very high89.6Confident30 Ų3062.4 Ų62.418%0.18430%0.301CS..EExtended strand (participates in β ladder)trans-139.7-177.4173.577.50000110K11 A15 L16 L108K11-T13 VanDerWaalsContact CE-O 3.32Å; K11-T13 WeakPolarHBondContact CE-O 3.09Å; K11-T13 WeakPolarHBondContact CG-O 3.3Å; T13-A15 PolarHBondContact O-N 3.22Å; T13-A15 PolarHBondContact OG1-N 3.33Å; T13-A15 VanDerWaalsContact OG1-N 3.14Å; T13-L16 HydrophobicContact CG2-CB 4.47Å; T13-L16 PolarHBondContact N-O 3.41Å; T13-L16 VanDerWaalsContact N-O 3.11Å; T13-L16 WeakPolarHBondContact OG1-CB 3.48Å; T13-L16 PolarHBondContact OG1-N 3.35Å; T13-L16 VanDerWaalsContact OG1-N 3.15Å; T13-L108 HydrophobicContact CG2-CD2 3.72Å
14K97Very high92.3Very high181 Ų18157.5 Ų57.579%0.78727%0.267SS*.THydrogen-bonded Turntrans-58.9-28.2172-68.2-174.8-179.1-179.80113.4
15A97.6Very high94.5Very high12 Ų1253.1 Ų53.110%0.09925%0.246CC..THydrogen-bonded Turntrans-118.46-173.600000114.1T13 A83 S89T13-A15 PolarHBondContact O-N 3.22Å; T13-A15 PolarHBondContact OG1-N 3.33Å; T13-A15 VanDerWaalsContact OG1-N 3.14Å; A15-A83 HydrophobicContact CB-CB 3.6Å; A15-S89 PolarHBondContact O-N 3.13Å
16L98.9Very high96.1Very high0 Ų047.1 Ų47.10%023%0.227CC..EExtended strand (participates in β ladder)trans-137.7129.6-175.9178.263.2000111.7V12 T13 I79 S89 V91 C104 Y107V12-L16 HydrophobicContact CB-CB 4.49Å; V12-L16 HydrophobicContact CB-CD2 4.26Å; V12-L16 HydrophobicContact CB-CG 4.18Å; V12-L16 HydrophobicContact CG1-CD2 4.24Å; V12-L16 PolarHBondContact N-O 3.37Å; T13-L16 HydrophobicContact CG2-CB 4.47Å; T13-L16 PolarHBondContact N-O 3.41Å; T13-L16 VanDerWaalsContact N-O 3.11Å; T13-L16 WeakPolarHBondContact OG1-CB 3.48Å; T13-L16 PolarHBondContact OG1-N 3.35Å; T13-L16 VanDerWaalsContact OG1-N 3.15Å; L16-I79 HydrophobicContact CB-CG2 4.43Å; L16-I79 HydrophobicContact CD1-CD1 4.11Å; L16-I79 HydrophobicContact CD1-CG1 4.42Å; L16-I79 HydrophobicContact CD1-CG2 4.09Å; L16-S89 CarbonylContact C-O 3.44Å; L16-S89 WeakPolarHBondContact CA-O 3.33Å; L16-V91 HydrophobicContact CD1-CG2 3.62Å; L16-C104 HydrophobicContact CD2-CB 4.17Å; L16-Y107 HydrophobicContact CD2-CD1 3.43Å; L16-Y107 VanDerWaalsContact CD2-CD1 3.43Å; L16-Y107 HydrophobicContact CD2-CE1 3.86Å; L16-Y107 HydrophobicContact CD2-CG 4.29Å
17F98.9Very high97Very high2 Ų241.3 Ų41.31%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-121.5153.5174.2-61-97.3000111.5L9 C10 K11 E33 R88 S89 L90 V91L9-F17 HydrophobicContact CB-CB 4.13Å; L9-F17 HydrophobicContact CB-CD1 3.87Å; L9-F17 HydrophobicContact CB-CG 4.26Å; C10-F17 CarbonylContact O-C 3.54Å; C10-F17 VanDerWaalsContact O-CA 3.3Å; C10-F17 WeakPolarHBondContact O-CA 3.29Å; K11-F17 HydrophobicContact CB-CD1 3.97Å; K11-F17 HydrophobicContact CB-CE1 3.78Å; K11-F17 HydrophobicContact CD-CE1 4.36Å; K11-F17 HydrophobicContact CG-CD1 4.37Å; K11-F17 HydrophobicContact CG-CE1 3.93Å; K11-F17 HydrophobicContact CG-CZ 4.33Å; F17-E33 HydrophobicContact CE1-CB 4.28Å; F17-E33 HydrophobicContact CE1-CG 4.01Å; F17-E33 VanDerWaalsContact CE1-OE2 3.32Å; F17-E33 WeakPolarHBondContact CE1-OE2 3.41Å; F17-E33 HydrophobicContact CE2-CB 4.36Å; F17-E33 HydrophobicContact CZ-CB 4.02Å; F17-E33 HydrophobicContact CZ-CG 4.21Å; F17-E33 WeakPolarHBondContact CZ-OE2 3.41Å; F17-R88 HydrophobicContact CE2-CB 4.15Å; F17-R88 HydrophobicContact CE2-CG 4.38Å; F17-S89 PolarHBondContact N-O 3.41Å; F17-L90 HydrophobicContact CB-CD1 3.84Å; F17-V91 PolarHBondContact O-N 2.91Å
18I98.8Very high97.3Very high0 Ų043.8 Ų43.80%021%0.213CC..EExtended strand (participates in β ladder)trans-126139.4172.2-173.2174.6000110.9C10 V12 V91 A101 V123 R127 V130C10-I18 HydrophobicContact CB-CG2 3.85Å; C10-I18 WeakPolarHBondContact CB-O 3.47Å; C10-I18 PolarHBondContact N-O 2.74Å; C10-I18 PolarHBondContact O-N 3.08Å; V12-I18 HydrophobicContact CG2-CB 4.11Å; V12-I18 HydrophobicContact CG2-CG2 3.63Å; I18-V91 WeakPolarHBondContact CA-O 3.3Å; I18-A101 HydrophobicContact CD1-CB 3.88Å; I18-V123 HydrophobicContact CD1-CG1 3.94Å; I18-R127 HydrophobicContact CG2-CB 4.02Å; I18-V130 HydrophobicContact CD1-CG2 4.12Å
19S98.5Very high97.4Very high0 Ų039.9 Ų39.90%020%0.195CC..EExtended strand (participates in β ladder)trans-151.3176.5175.878.40000113.6V91 Y92 G96S19-V91 PolarHBondContact N-O 2.83Å; S19-Y92 WeakPolarHBondContact O-CA 3.45Å; S19-Y92 WeakPolarHBondContact O-CB 3.44Å; S19-G96 WeakPolarHBondContact O-CA 3.32Å
20N98Very high97.4Very high36 Ų3639.4 Ų39.419%0.19319%0.193CC..EExtended strand (participates in β ladder)trans-83.3172.3161.765.229.5000110.3R22 S23 A24 C93 K94N20-R22 VanDerWaalsContact C-N 3.32Å; N20-R22 PolarHBondContact O-N 3.42Å; N20-R22 PolarHBondContact OD1-N 3.02Å; N20-S23 PolarHBondContact O-N 3.29Å; N20-S23 PolarHBondContact OD1-N 3.34Å; N20-S23 PolarHBondContact OD1-OG 3.47Å; N20-A24 WeakPolarHBondContact O-CB 3.36Å; N20-A24 PolarHBondContact O-N 3.41Å; N20-A24 VanDerWaalsContact O-N 3.11Å; N20-C93 CarbonylContact C-O 3.59Å; N20-K94 WeakPolarHBondContact CB-O 3.32Å
21A97.7Very high97.3Very high7 Ų745.4 Ų45.46%0.05822%0.22CC..Hα-helixtrans-65.2-34.3-178.200000113A24 C25 Q45 Y92 C93 K94A21-A24 PolarHBondContact O-N 2.91Å; A21-C25 PolarHBondContact O-N 2.79Å; A21-C25 VanDerWaalsContact O-N 3.13Å; A21-C25 PolarHBondContact O-SG 3.42Å; A21-Q45 HydrophobicContact CB-CB 3.97Å; A21-Q45 HydrophobicContact CB-CG 3.85Å; A21-Y92 HydrophobicContact CB-CD2 4.26Å; A21-C93 PolarHBondContact N-O 3.16Å; A21-K94 PolarHBondContact N-O 2.98Å
22R96.8Very high97.1Very high169 Ų16946.1 Ų46.164%0.63823%0.225SC*.Hα-helixtrans-62.6-49179.1-164.8-172.2-68.5176.2-2.2111.5L7 N20 A24 C25L7-R22 HydrophobicContact CD2-CB 4.06Å; L7-R22 HydrophobicContact CD2-CG 3.64Å; N20-R22 VanDerWaalsContact C-N 3.32Å; N20-R22 PolarHBondContact O-N 3.42Å; N20-R22 PolarHBondContact OD1-N 3.02Å; R22-A24 VanDerWaalsContact C-N 3.3Å; R22-A24 PolarHBondContact O-N 3.37Å; R22-C25 PolarHBondContact O-N 3.1Å
23S97.1Very high97.1Very high2 Ų248 Ų481%0.01423%0.234CC..Hα-helixtrans-63.9-37.5174.9-56.30000111.8Q8 N20 C25 S26Q8-S23 PolarHBondContact N-OG 3.43Å; Q8-S23 VanDerWaalsContact N-OG 3.17Å; Q8-S23 VanDerWaalsContact O-CB 3.23Å; Q8-S23 WeakPolarHBondContact O-CB 3.29Å; Q8-S23 PolarHBondContact O-OG 2.84Å; N20-S23 PolarHBondContact O-N 3.29Å; N20-S23 PolarHBondContact OD1-N 3.34Å; N20-S23 PolarHBondContact OD1-OG 3.47Å; S23-C25 PolarHBondContact O-N 3.29Å; S23-S26 WeakPolarHBondContact O-CB 3.42Å; S23-S26 PolarHBondContact O-N 2.87Å
24A97Very high97Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-67.4-19.6-178.400000113.6N20 A21 R22 P48 L90 Y92N20-A24 WeakPolarHBondContact O-CB 3.36Å; N20-A24 PolarHBondContact O-N 3.41Å; N20-A24 VanDerWaalsContact O-N 3.11Å; A21-A24 PolarHBondContact O-N 2.91Å; R22-A24 VanDerWaalsContact C-N 3.3Å; R22-A24 PolarHBondContact O-N 3.37Å; A24-P48 WeakPolarHBondContact O-CB 3.49Å; A24-P48 WeakPolarHBondContact O-CG 3.42Å; A24-L90 HydrophobicContact CB-CD2 3.77Å; A24-Y92 HydrophobicContact CB-CD1 3.59Å; A24-Y92 HydrophobicContact CB-CD2 3.48Å; A24-Y92 VanDerWaalsContact CB-CD2 3.48Å; A24-Y92 HydrophobicContact CB-CE1 3.95Å; A24-Y92 HydrophobicContact CB-CE2 3.83Å; A24-Y92 HydrophobicContact CB-CG 3.33Å
25C95.4Very high97.1Very high46 Ų4641 Ų4131%0.31121%0.212SC..THydrogen-bonded Turntrans-987.2177.3-58.80000113.1A21 R22 S23A21-C25 PolarHBondContact O-N 2.79Å; A21-C25 VanDerWaalsContact O-N 3.13Å; A21-C25 PolarHBondContact O-SG 3.42Å; R22-C25 PolarHBondContact O-N 3.1Å; S23-C25 PolarHBondContact O-N 3.29Å
26S96.2Very high97.1Very high21 Ų2142.4 Ų42.415%0.14722%0.219CC..  trans-87.4107.1170.9170.40000108.9S23 D28 L29 I30S23-S26 WeakPolarHBondContact O-CB 3.42Å; S23-S26 PolarHBondContact O-N 2.87Å; S26-D28 PolarHBondContact O-N 2.71Å; S26-L29 PolarHBondContact O-N 2.81Å; S26-L29 PolarHBondContact OG-N 3.47Å; S26-I30 WeakPolarHBondContact O-CG1 3.42Å; S26-I30 PolarHBondContact O-N 2.74Å; S26-I30 VanDerWaalsContact O-N 3.12Å
27D94.3Very high97.1Very high42 Ų4242.6 Ų42.623%0.22522%0.22CC..Hα-helixtrans-61-34.6178.1-76.5-16.1000111.9L29 I30 Q31 T49 S50D27-L29 PolarHBondContact O-N 3.44Å; D27-I30 PolarHBondContact O-N 2.74Å; D27-Q31 WeakPolarHBondContact O-CB 3.5Å; D27-Q31 VanDerWaalsContact O-CG 3.3Å; D27-Q31 WeakPolarHBondContact O-CG 3.43Å; D27-Q31 PolarHBondContact O-N 2.63Å; D27-T49 PolarHBondContact OD1-N 3Å; D27-T49 PolarHBondContact OD1-OG1 3.22Å; D27-T49 PolarHBondContact OD2-OG1 3.45Å; D27-S50 WeakPolarHBondContact CA-OG 3.36Å; D27-S50 VanDerWaalsContact CB-OG 3.3Å; D27-S50 WeakPolarHBondContact CB-OG 3.37Å; D27-S50 WeakPolarHBondContact OD1-CB 2.91Å; D27-S50 PolarHBondContact OD1-N 2.86Å; D27-S50 PolarHBondContact OD1-OG 3Å; D27-S50 PolarHBondContact OD2-N 3.33Å
28D95.3Very high97.1Very high122 Ų12242.5 Ų42.565%0.65222%0.22SC*.Hα-helixtrans-57.7-46.2174.1-60.9-22.9000111.9S26 Q31 Q32S26-D28 PolarHBondContact O-N 2.71Å; D28-Q31 PolarHBondContact O-N 3.37Å; D28-Q32 WeakPolarHBondContact O-CB 3.29Å; D28-Q32 PolarHBondContact O-N 3.35Å
29L96.8Very high97.1Very high21 Ų2142.5 Ų42.511%0.1122%0.22CC..Hα-helixtrans-66.8-38.6177.4-73.5-179.6000112.3L7 L9 S26 D27 Q31 E33L7-L29 HydrophobicContact CB-CD1 3.68Å; L9-L29 HydrophobicContact CD1-CB 4.13Å; L9-L29 HydrophobicContact CD2-CB 4.5Å; L9-L29 HydrophobicContact CD2-CD1 4.4Å; L9-L29 HydrophobicContact CG-CB 4.05Å; L9-L29 HydrophobicContact CG-CD1 4.37Å; S26-L29 PolarHBondContact O-N 2.81Å; S26-L29 PolarHBondContact OG-N 3.47Å; D27-L29 PolarHBondContact O-N 3.44Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; L29-E33 WeakPolarHBondContact O-CB 3.39Å; L29-E33 PolarHBondContact O-N 3.05Å
30I97.3Very high97.1Very high3 Ų342.5 Ų42.52%0.01522%0.22CC..Hα-helixtrans-62.5-44177.1-68.1-63.5000110.6L9 S26 D27 A34 V35 P48 S50 V53 L90L9-I30 HydrophobicContact CD1-CD1 4.4Å; S26-I30 WeakPolarHBondContact O-CG1 3.42Å; S26-I30 PolarHBondContact O-N 2.74Å; S26-I30 VanDerWaalsContact O-N 3.12Å; D27-I30 PolarHBondContact O-N 2.74Å; I30-A34 PolarHBondContact O-N 3.1Å; I30-A34 VanDerWaalsContact O-N 3.14Å; I30-V35 HydrophobicContact CD1-CB 4.12Å; I30-V35 HydrophobicContact CD1-CG1 4.17Å; I30-V35 HydrophobicContact CD1-CG2 4.3Å; I30-V35 HydrophobicContact CG2-CB 4.2Å; I30-V35 PolarHBondContact O-N 3.31Å; I30-P48 HydrophobicContact CD1-CG 4.29Å; I30-P48 HydrophobicContact CG1-CB 4.06Å; I30-P48 HydrophobicContact CG1-CG 4.27Å; I30-S50 WeakPolarHBondContact CG2-OG 3.46Å; I30-V53 HydrophobicContact CG2-CG2 3.72Å; I30-L90 HydrophobicContact CD1-CD2 3.59Å
31Q95.9Very high97.1Very high133 Ų13340.8 Ų40.862%0.62121%0.211SC*.Hα-helixtrans-70.6-47.6178-69.8176.914.900112D27 D28 L29 E33 A34D27-Q31 WeakPolarHBondContact O-CB 3.5Å; D27-Q31 VanDerWaalsContact O-CG 3.3Å; D27-Q31 WeakPolarHBondContact O-CG 3.43Å; D27-Q31 PolarHBondContact O-N 2.63Å; D28-Q31 PolarHBondContact O-N 3.37Å; L29-Q31 VanDerWaalsContact C-N 3.35Å; Q31-E33 VanDerWaalsContact C-N 3.28Å; Q31-E33 PolarHBondContact O-N 2.82Å; Q31-A34 PolarHBondContact O-N 3.06Å
32Q95.8Very high97.2Very high138 Ų13840.5 Ų40.565%0.64521%0.208SC*.Hα-helixtrans-55.9-44178.9-177.7-170.8-56.600111.5D28 A34D28-Q32 WeakPolarHBondContact O-CB 3.29Å; D28-Q32 PolarHBondContact O-N 3.35Å; Q32-A34 VanDerWaalsContact C-N 3.29Å
33E97.1Very high97.1Very high44 Ų4436.4 Ų36.421%0.20620%0.195CC..THydrogen-bonded Turntrans-87.22.9179.3-63.9-57.6152.100113.2L9 F17 L29 Q31 V35 R88L9-E33 HydrophobicContact CB-CG 4.42Å; L9-E33 HydrophobicContact CD1-CB 4.1Å; L9-E33 HydrophobicContact CD1-CG 4.02Å; F17-E33 HydrophobicContact CE1-CB 4.28Å; F17-E33 HydrophobicContact CE1-CG 4.01Å; F17-E33 VanDerWaalsContact CE1-OE2 3.32Å; F17-E33 WeakPolarHBondContact CE1-OE2 3.41Å; F17-E33 HydrophobicContact CE2-CB 4.36Å; F17-E33 HydrophobicContact CZ-CB 4.02Å; F17-E33 HydrophobicContact CZ-CG 4.21Å; F17-E33 WeakPolarHBondContact CZ-OE2 3.41Å; L29-E33 WeakPolarHBondContact O-CB 3.39Å; L29-E33 PolarHBondContact O-N 3.05Å; Q31-E33 VanDerWaalsContact C-N 3.28Å; Q31-E33 PolarHBondContact O-N 2.82Å; E33-V35 VanDerWaalsContact C-N 3.27Å; E33-V35 HydrophobicContact CB-CG2 4.07Å; E33-V35 PolarHBondContact O-N 3.33Å; E33-R88 WeakPolarHBondContact O-CD 3.43Å; E33-R88 PolarHBondContact O-NH1 3.47Å; E33-R88 IonicContact OE2-NH1 3.06Å
34A96.9Very high97.1Very high55 Ų5543.3 Ų43.346%0.45523%0.227SC..THydrogen-bonded Turntrans49.146.4-178.700000112.8I30 Q31 Q32 T36I30-A34 PolarHBondContact O-N 3.1Å; I30-A34 VanDerWaalsContact O-N 3.14Å; Q31-A34 PolarHBondContact O-N 3.06Å; Q32-A34 VanDerWaalsContact C-N 3.29Å; A34-T36 PolarHBondContact O-N 3.38Å
35V98.3Very high97.1Very high8 Ų845.4 Ų45.45%0.04824%0.237CC..  trans-70.8127179.6173.40000109.8L9 I30 E33 L37 L90L9-V35 HydrophobicContact CD1-CG2 4.02Å; I30-V35 HydrophobicContact CD1-CB 4.12Å; I30-V35 HydrophobicContact CD1-CG1 4.17Å; I30-V35 HydrophobicContact CD1-CG2 4.3Å; I30-V35 HydrophobicContact CG2-CB 4.2Å; I30-V35 PolarHBondContact O-N 3.31Å; E33-V35 VanDerWaalsContact C-N 3.27Å; E33-V35 HydrophobicContact CB-CG2 4.07Å; E33-V35 PolarHBondContact O-N 3.33Å; V35-L37 WeakPolarHBondContact CG1-O 3.17Å; V35-L90 HydrophobicContact CG1-CB 3.73Å; V35-L90 HydrophobicContact CG2-CB 4.27Å
36T98.4Very high97.1Very high41 Ų4147 Ų4725%0.25225%0.247SC..  trans-108.4-17.9-178.956.40000113.2A34 T54 E82 G87 R88A34-T36 PolarHBondContact O-N 3.38Å; T36-T54 WeakPolarHBondContact O-CB 3.46Å; T36-T54 PolarHBondContact O-N 2.79Å; T36-E82 PolarHBondContact OG1-OE2 3.14Å; T36-G87 WeakPolarHBondContact OG1-CA 3.45Å; T36-R88 PolarHBondContact N-O 2.95Å; T36-R88 PolarHBondContact OG1-N 3.25Å; T36-R88 PolarHBondContact OG1-O 3.12Å
37L98.7Very high97.2Very high5 Ų548.5 Ų48.53%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-134.9129.5176.3173.364.2000110.9V35 I39 T54 M56 A78 E82 R88 S89 L90V35-L37 WeakPolarHBondContact CG1-O 3.17Å; L37-I39 HydrophobicContact CD1-CG1 4.42Å; L37-I39 HydrophobicContact CD2-CD1 4.09Å; L37-I39 HydrophobicContact CD2-CG1 4.06Å; L37-I39 HydrophobicContact CG-CG1 4.04Å; L37-T54 CarbonylContact C-O 3.59Å; L37-T54 WeakPolarHBondContact CA-O 3.35Å; L37-T54 HydrophobicContact CD1-CG2 3.8Å; L37-M56 HydrophobicContact CD1-CB 4.28Å; L37-A78 HydrophobicContact CD2-CB 4.09Å; L37-E82 HydrophobicContact CB-CG 3.57Å; L37-E82 HydrophobicContact CD2-CG 3.45Å; L37-E82 VanDerWaalsContact CD2-CG 3.45Å; L37-E82 HydrophobicContact CG-CG 4.12Å; L37-R88 PolarHBondContact N-O 3.31Å; L37-S89 CarbonylContact O-C 3.43Å; L37-S89 VanDerWaalsContact O-CA 3.32Å; L37-S89 WeakPolarHBondContact O-CA 3.22Å; L37-L90 PolarHBondContact O-N 2.93Å
38C98.7Very high97.1Very high0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-111.6120.2169.9-820000110.6F47 P48 V53 T54 M56 L90 Y92C38-F47 HydrophobicContact CB-CD1 4.25Å; C38-F47 HydrophobicContact CB-CE1 4.46Å; C38-P48 HydrophobicContact CB-CG 4.44Å; C38-V53 HydrophobicContact CB-CG1 3.96Å; C38-T54 PolarHBondContact N-O 2.97Å; C38-M56 PolarHBondContact O-N 3.15Å; C38-L90 CarbonylContact C-O 3.6Å; C38-L90 WeakPolarHBondContact CA-O 3.29Å; C38-Y92 HydrophobicContact CB-CE1 4.25Å
39I98.8Very high97Very high0 Ų045.8 Ų45.80%024%0.24CC..EExtended strand (participates in β ladder)trans-103.7107.2171.7-50.3-174.3000109L37 V41 M56 I58 C75 I79 L90 V91 Y92L37-I39 HydrophobicContact CD1-CG1 4.42Å; L37-I39 HydrophobicContact CD2-CD1 4.09Å; L37-I39 HydrophobicContact CD2-CG1 4.06Å; L37-I39 HydrophobicContact CG-CG1 4.04Å; I39-V41 HydrophobicContact CG2-CG2 4.13Å; I39-M56 CarbonylContact C-O 3.57Å; I39-M56 VanDerWaalsContact CA-O 3.3Å; I39-M56 WeakPolarHBondContact CA-O 3.45Å; I39-M56 HydrophobicContact CD1-SD 4.44Å; I39-M56 HydrophobicContact CG1-CB 4.32Å; I39-M56 HydrophobicContact CG2-CG 4.48Å; I39-I58 HydrophobicContact CG2-CG1 4.13Å; I39-C75 HydrophobicContact CD1-CB 4.42Å; I39-I79 HydrophobicContact CD1-CD1 4.06Å; I39-I79 HydrophobicContact CD1-CG1 3.7Å; I39-L90 PolarHBondContact N-O 3.47Å; I39-V91 HydrophobicContact CB-CG1 4.37Å; I39-V91 HydrophobicContact CB-CG2 4.18Å; I39-V91 HydrophobicContact CD1-CG2 4.24Å; I39-V91 HydrophobicContact CG1-CG2 4.45Å; I39-V91 WeakPolarHBondContact O-CA 3.43Å; I39-Y92 PolarHBondContact O-N 2.83Å
40N98.8Very high96.6Very high0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-92.4104.1177.5-177.4-8.9000110.1S42 Q45 F47 M56 I58 Y92N40-S42 PolarHBondContact O-N 2.85Å; N40-S42 VanDerWaalsContact O-N 3.12Å; N40-S42 WeakPolarHBondContact OD1-CB 3.45Å; N40-S42 PolarHBondContact OD1-N 2.83Å; N40-S42 PolarHBondContact OD1-OG 2.86Å; N40-Q45 PolarHBondContact ND2-O 3.24Å; N40-F47 HydrophobicContact CB-CD1 4.23Å; N40-F47 HydrophobicContact CB-CE1 3.52Å; N40-F47 HydrophobicContact CB-CE2 4.13Å; N40-F47 HydrophobicContact CB-CZ 3.47Å; N40-F47 VanDerWaalsContact CB-CZ 3.47Å; N40-M56 PolarHBondContact N-O 2.87Å; N40-I58 PolarHBondContact O-N 3.36Å; N40-Y92 HydrophobicContact CB-CE1 3.85Å; N40-Y92 HydrophobicContact CB-CE2 4.13Å; N40-Y92 WeakPolarHBondContact CB-OH 3.41Å; N40-Y92 PolarHBondContact ND2-OH 3.34Å
41V98.8Very high96.2Very high0 Ų050.6 Ų50.60%028%0.276CS..  trans-90.762.1179.5-1590000109.5I39 I58 V60 L68 V91 Y92 C93 R99 I103I39-V41 HydrophobicContact CG2-CG2 4.13Å; V41-I58 CarbonylContact C-O 3.51Å; V41-I58 WeakPolarHBondContact CA-O 3.39Å; V41-I58 HydrophobicContact CG1-CB 4.1Å; V41-I58 HydrophobicContact CG1-CG2 4.1Å; V41-V60 HydrophobicContact CG1-CG2 3.75Å; V41-L68 HydrophobicContact CG1-CD1 3.93Å; V41-L68 HydrophobicContact CG1-CD2 4.32Å; V41-V91 HydrophobicContact CG2-CG1 3.74Å; V41-Y92 PolarHBondContact N-O 2.77Å; V41-C93 HydrophobicContact CB-CB 4.44Å; V41-C93 WeakPolarHBondContact O-CB 3.18Å; V41-R99 HydrophobicContact CB-CB 4.08Å; V41-R99 HydrophobicContact CG1-CB 3.72Å; V41-R99 HydrophobicContact CG1-CG 4.39Å; V41-R99 VanDerWaalsContact O-CD 3.29Å; V41-R99 WeakPolarHBondContact O-CD 3.45Å; V41-I103 HydrophobicContact CG1-CG1 4.23Å; V41-I103 HydrophobicContact CG2-CB 4.5Å; V41-I103 HydrophobicContact CG2-CG1 3.89Å
42S98.1Very high95.8Very high1 Ų148 Ų481%0.00729%0.285CS..SBendtrans-161.5159.5176.183.20000113.1N40 Q45 Q57 I58N40-S42 PolarHBondContact O-N 2.85Å; N40-S42 VanDerWaalsContact O-N 3.12Å; N40-S42 WeakPolarHBondContact OD1-CB 3.45Å; N40-S42 PolarHBondContact OD1-N 2.83Å; N40-S42 PolarHBondContact OD1-OG 2.86Å; S42-Q45 WeakPolarHBondContact OG-CB 3.28Å; S42-Q45 WeakPolarHBondContact OG-CG 3.44Å; S42-Q45 PolarHBondContact OG-N 3.2Å; S42-Q57 PolarHBondContact O-NE2 3.32Å; S42-I58 PolarHBondContact N-O 2.94Å
43K96.5Very high95.8Very high82 Ų8242.3 Ų42.336%0.35726%0.26SS..SBendtrans-79.3-28172.4-67.1-179.7179168.80113.9P59 Y61 E66K43-P59 WeakPolarHBondContact CE-O 3.32Å; K43-P59 VanDerWaalsContact CG-C 3.41Å; K43-P59 HydrophobicContact CG-CB 3.87Å; K43-Y61 HydrophobicContact CD-CD1 4.29Å; K43-Y61 HydrophobicContact CD-CD2 4Å; K43-Y61 HydrophobicContact CD-CE1 3.89Å; K43-Y61 HydrophobicContact CD-CE2 3.57Å; K43-Y61 HydrophobicContact CD-CG 4.33Å; K43-Y61 VanDerWaalsContact CD-CZ 3.49Å; K43-E66 IonicContact NZ-OE1 3.19Å; K43-E66 PolarHBondContact NZ-OE1 2.77Å
44Q95.3Very high95.8Very high148 Ų14843.5 Ų43.569%0.69227%0.27SS*.SBendtrans-121.9-19-161.6-67.4173.8-29.600114.7
45Q97.6Very high95.9Very high44 Ų4447.3 Ų47.321%0.20627%0.272CS..PPolyproline II helixtrans-75.6143.4-176.2-54.6-57.2-76.600109.9A21 N40 S42 Y92 K94A21-Q45 HydrophobicContact CB-CB 3.97Å; A21-Q45 HydrophobicContact CB-CG 3.85Å; N40-Q45 PolarHBondContact ND2-O 3.24Å; S42-Q45 WeakPolarHBondContact OG-CB 3.28Å; S42-Q45 WeakPolarHBondContact OG-CG 3.44Å; S42-Q45 PolarHBondContact OG-N 3.2Å; Q45-Y92 HydrophobicContact CB-CE2 4.3Å; Q45-K94 HydrophobicContact CG-CB 4.24Å
46P96.8Very high95.9Very high80 Ų8047.9 Ų47.952%0.51928%0.275SS..PPolyproline II helixtrans-73164.3178.227.6-30.8000111.7Y92P46-Y92 PolarHBondContact O-OH 3.22Å
47F96.8Very high95.9Very high51 Ų5150 Ų5022%0.22428%0.282CS..PPolyproline II helixtrans-88.8155.4164.6-77.8-83000110.8C38 N40 R55 Q57 Y92C38-F47 HydrophobicContact CB-CD1 4.25Å; C38-F47 HydrophobicContact CB-CE1 4.46Å; N40-F47 HydrophobicContact CB-CD1 4.23Å; N40-F47 HydrophobicContact CB-CE1 3.52Å; N40-F47 HydrophobicContact CB-CE2 4.13Å; N40-F47 HydrophobicContact CB-CZ 3.47Å; N40-F47 VanDerWaalsContact CB-CZ 3.47Å; F47-R55 HydrophobicContact CB-CG 4.33Å; F47-R55 HydrophobicContact CD1-CB 3.75Å; F47-R55 HydrophobicContact CD1-CG 3.63Å; F47-R55 HydrophobicContact CE1-CB 3.63Å; F47-R55 HydrophobicContact CE1-CG 4.06Å; F47-R55 HydrophobicContact CE2-CB 4.49Å; F47-R55 HydrophobicContact CG-CB 4.24Å; F47-R55 HydrophobicContact CG-CG 4Å; F47-R55 HydrophobicContact CZ-CB 4.02Å; F47-Q57 HydrophobicContact CE2-CB 4.04Å; F47-Q57 HydrophobicContact CE2-CG 4.43Å; F47-Q57 HydrophobicContact CZ-CB 3.84Å; F47-Q57 HydrophobicContact CZ-CG 4.47Å; F47-Y92 WeakPolarHBondContact CA-OH 3.43Å; F47-Y92 WeakPolarHBondContact CD1-OH 3.3Å
48P92.8Very high95.9Very high1 Ų149.8 Ų49.81%0.00628%0.281CS..PPolyproline II helixtrans-60.4150.1167.622.5-30.2000111.7A24 I30 C38 R55A24-P48 WeakPolarHBondContact O-CB 3.49Å; A24-P48 WeakPolarHBondContact O-CG 3.42Å; I30-P48 HydrophobicContact CD1-CG 4.29Å; I30-P48 HydrophobicContact CG1-CB 4.06Å; I30-P48 HydrophobicContact CG1-CG 4.27Å; C38-P48 HydrophobicContact CB-CG 4.44Å; P48-R55 PolarHBondContact O-NE 3Å; P48-R55 PolarHBondContact O-NH2 3Å
49T92.3Very high95.9Very high107 Ų10753 Ų5366%0.65630%0.301SS*.  trans-81.3-18.7179.636.40000113D27 S51D27-T49 PolarHBondContact OD1-N 3Å; D27-T49 PolarHBondContact OD1-OG1 3.22Å; D27-T49 PolarHBondContact OD2-OG1 3.45Å; T49-S51 PolarHBondContact O-N 3.39Å
50S89.8Confident95.8Very high7 Ų753.1 Ų53.15%0.04930%0.302CS..  trans-41.5124.3175.2-68.40000113.5D27 I30D27-S50 WeakPolarHBondContact CA-OG 3.36Å; D27-S50 VanDerWaalsContact CB-OG 3.3Å; D27-S50 WeakPolarHBondContact CB-OG 3.37Å; D27-S50 WeakPolarHBondContact OD1-CB 2.91Å; D27-S50 PolarHBondContact OD1-N 2.86Å; D27-S50 PolarHBondContact OD1-OG 3Å; D27-S50 PolarHBondContact OD2-N 3.33Å; I30-S50 WeakPolarHBondContact CG2-OG 3.46Å
51S87.3Confident95.8Very high118 Ų11858.6 Ų58.683%0.82532%0.324SS*.THydrogen-bonded Turntrans-68.9152.9173.6550000111.9T49 V53T49-S51 PolarHBondContact O-N 3.39Å; S51-V53 PolarHBondContact O-N 2.95Å
52G88.5Confident95.7Very high79 Ų7961.4 Ų61.481%0.81434%0.339SS*.THydrogen-bonded Turntrans78.1-0.5176.500000115.1
53V95.8Very high95.7Very high18 Ų1864.5 Ų64.511%0.10936%0.355CS..  trans-89.5121.9175.5-175.70000110.1I30 C38 S51I30-V53 HydrophobicContact CG2-CG2 3.72Å; C38-V53 HydrophobicContact CB-CG1 3.96Å; S51-V53 PolarHBondContact O-N 2.95Å
54T97.7Very high95.8Very high69 Ų6963.4 Ų63.442%0.42336%0.357SS..EExtended strand (participates in β ladder)trans-69136.9171.5-58.30000109.4T36 L37 C38T36-T54 WeakPolarHBondContact O-CB 3.46Å; T36-T54 PolarHBondContact O-N 2.79Å; L37-T54 CarbonylContact C-O 3.59Å; L37-T54 WeakPolarHBondContact CA-O 3.35Å; L37-T54 HydrophobicContact CD1-CG2 3.8Å; C38-T54 PolarHBondContact N-O 2.97Å
55R97.9Very high95.9Very high134 Ų13463 Ų6351%0.50636%0.359SS..EExtended strand (participates in β ladder)trans-116.1129.6-175.7-64.1175.2-176.91440.8110.6F47 P48F47-R55 HydrophobicContact CB-CG 4.33Å; F47-R55 HydrophobicContact CD1-CB 3.75Å; F47-R55 HydrophobicContact CD1-CG 3.63Å; F47-R55 HydrophobicContact CE1-CB 3.63Å; F47-R55 HydrophobicContact CE1-CG 4.06Å; F47-R55 HydrophobicContact CE2-CB 4.49Å; F47-R55 HydrophobicContact CG-CB 4.24Å; F47-R55 HydrophobicContact CG-CG 4Å; F47-R55 HydrophobicContact CZ-CB 4.02Å; P48-R55 PolarHBondContact O-NE 3Å; P48-R55 PolarHBondContact O-NH2 3Å
56M98.5Very high95.9Very high20 Ų2062.8 Ų62.810%0.09936%0.358CS..EExtended strand (participates in β ladder)trans-131119.9175.8178.9169.1166.700109.8L37 C38 I39 N40 I58 R74 C75 A78L37-M56 HydrophobicContact CD1-CB 4.28Å; C38-M56 PolarHBondContact O-N 3.15Å; I39-M56 CarbonylContact C-O 3.57Å; I39-M56 VanDerWaalsContact CA-O 3.3Å; I39-M56 WeakPolarHBondContact CA-O 3.45Å; I39-M56 HydrophobicContact CD1-SD 4.44Å; I39-M56 HydrophobicContact CG1-CB 4.32Å; I39-M56 HydrophobicContact CG2-CG 4.48Å; N40-M56 PolarHBondContact N-O 2.87Å; M56-I58 HydrophobicContact CE-CD1 3.58Å; M56-I58 HydrophobicContact CE-CG1 4.39Å; M56-I58 HydrophobicContact CG-CD1 4.49Å; M56-R74 HydrophobicContact CE-CB 4.49Å; M56-R74 HydrophobicContact CE-CG 3.78Å; M56-C75 HydrophobicContact CE-CB 4.49Å; M56-C75 VanDerWaalsContact CE-SG 3.6Å; M56-A78 HydrophobicContact SD-CB 4.07Å
57Q98.6Very high96Very high87 Ų8761.7 Ų61.741%0.40735%0.348SS..EExtended strand (participates in β ladder)trans-101.6133.1178.2-166.7177.517.500110.8S42 F47S42-Q57 PolarHBondContact O-NE2 3.32Å; F47-Q57 HydrophobicContact CE2-CB 4.04Å; F47-Q57 HydrophobicContact CE2-CG 4.43Å; F47-Q57 HydrophobicContact CZ-CB 3.84Å; F47-Q57 HydrophobicContact CZ-CG 4.47Å
58I98.6Very high96.1Very high0 Ų059.3 Ų59.30%034%0.337CS..  trans-114.896.4168.2-55.7-54.4000107.6I39 N40 V41 S42 M56 V60 L68 H71I39-I58 HydrophobicContact CG2-CG1 4.13Å; N40-I58 PolarHBondContact O-N 3.36Å; V41-I58 CarbonylContact C-O 3.51Å; V41-I58 WeakPolarHBondContact CA-O 3.39Å; V41-I58 HydrophobicContact CG1-CB 4.1Å; V41-I58 HydrophobicContact CG1-CG2 4.1Å; S42-I58 PolarHBondContact N-O 2.94Å; M56-I58 HydrophobicContact CE-CD1 3.58Å; M56-I58 HydrophobicContact CE-CG1 4.39Å; M56-I58 HydrophobicContact CG-CD1 4.49Å; I58-V60 HydrophobicContact CG2-CG1 4.13Å; I58-V60 HydrophobicContact CG2-CG2 4.3Å; I58-V60 PolarHBondContact O-N 3.35Å; I58-L68 HydrophobicContact CG2-CD1 3.65Å; I58-H71 HydrophobicContact CD1-CB 4.21Å; I58-H71 HydrophobicContact CG2-CB 4.07Å
59P97.9Very high96.4Very high66 Ų6660.7 Ų60.743%0.42934%0.343SS..  trans-80.778.4-168.533.2-35.9000111.5K43K43-P59 WeakPolarHBondContact CE-O 3.32Å; K43-P59 VanDerWaalsContact CG-C 3.41Å; K43-P59 HydrophobicContact CG-CB 3.87Å
60V97.3Very high96.7Very high3 Ų363.6 Ų63.62%0.01834%0.342CS..  trans-124.9149.2178.1-61.40000113V41 I58 E66 L68 R99V41-V60 HydrophobicContact CG1-CG2 3.75Å; I58-V60 HydrophobicContact CG2-CG1 4.13Å; I58-V60 HydrophobicContact CG2-CG2 4.3Å; I58-V60 PolarHBondContact O-N 3.35Å; V60-E66 HydrophobicContact CB-CB 4.49Å; V60-L68 HydrophobicContact CG1-CD1 4.27Å; V60-L68 HydrophobicContact CG2-CD1 3.91Å; V60-R99 HydrophobicContact CG2-CG 4.19Å; V60-R99 PolarHBondContact O-NH1 3.27Å
61Y98.1Very high97.1Very high115 Ų11564.8 Ų64.845%0.45135%0.347SS..  trans-78.9163.5165.1-64.8-64.9000111.9K43 D63 E66 R99K43-Y61 HydrophobicContact CD-CD1 4.29Å; K43-Y61 HydrophobicContact CD-CD2 4Å; K43-Y61 HydrophobicContact CD-CE1 3.89Å; K43-Y61 HydrophobicContact CD-CE2 3.57Å; K43-Y61 HydrophobicContact CD-CG 4.33Å; K43-Y61 VanDerWaalsContact CD-CZ 3.49Å; Y61-D63 PolarHBondContact O-N 2.91Å; Y61-D63 VanDerWaalsContact O-N 3.14Å; Y61-E66 WeakPolarHBondContact CD2-OE1 3.32Å; Y61-E66 PolarHBondContact N-OE1 2.99Å; Y61-R99 WeakPolarHBondContact O-CD 3.37Å
62D98.1Very high97.6Very high60 Ų6059.2 Ų59.232%0.32131%0.307SS..SBendtrans-86.962.1172.9-158.2-0000109.5S98 R99 N133D62-S98 WeakPolarHBondContact OD1-CB 3.09Å; D62-S98 PolarHBondContact OD1-OG 3.45Å; D62-S98 WeakPolarHBondContact OD2-CB 3.3Å; D62-R99 HydrophobicContact CB-CG 4.26Å; D62-N133 PolarHBondContact OD1-ND2 3.34Å
63D98.1Very high98.1Very high65 Ų6557.7 Ų57.735%0.34828%0.28SS..  trans-120.8136.2-174.4-168.2-68.3000108.6Y61 N65 E66Y61-D63 PolarHBondContact O-N 2.91Å; Y61-D63 VanDerWaalsContact O-N 3.14Å; D63-N65 PolarHBondContact O-N 3.37Å; D63-N65 VanDerWaalsContact OD1-CB 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.47Å; D63-N65 PolarHBondContact OD1-N 3.46Å; D63-N65 PolarHBondContact OD1-ND2 3.19Å; D63-E66 HydrophobicContact CB-CB 4.46Å; D63-E66 HydrophobicContact CB-CG 3.9Å; D63-E66 WeakPolarHBondContact O-CB 3.44Å; D63-E66 PolarHBondContact O-N 2.99Å; D63-E66 VanDerWaalsContact O-N 3.11Å
64P97.6Very high98.3Very high60 Ų6064.4 Ų64.439%0.3930%0.304SS..THydrogen-bonded Turntrans-61.8-19.1177.926.1-35.4000114N133 G135P64-N133 WeakPolarHBondContact CA-OD1 3.27Å; P64-G135 WeakPolarHBondContact O-CA 3.37Å
65N97.9Very high98.3Very high139 Ų13961.1 Ų61.174%0.74328%0.284SS*.THydrogen-bonded Turntrans-90.8-7.7177.5-52.2-65.6000113.3D63D63-N65 PolarHBondContact O-N 3.37Å; D63-N65 VanDerWaalsContact OD1-CB 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.47Å; D63-N65 PolarHBondContact OD1-N 3.46Å; D63-N65 PolarHBondContact OD1-ND2 3.19Å
66E98.2Very high98.4Very high40 Ų4054.8 Ų54.819%0.18726%0.26CS..SBendtrans-70.7136173.4-79.6-88.8-153.400110.2K43 V60 Y61 D63 L68 F136 Q139K43-E66 IonicContact NZ-OE1 3.19Å; K43-E66 PolarHBondContact NZ-OE1 2.77Å; V60-E66 HydrophobicContact CB-CB 4.49Å; Y61-E66 WeakPolarHBondContact CD2-OE1 3.32Å; Y61-E66 PolarHBondContact N-OE1 2.99Å; D63-E66 HydrophobicContact CB-CB 4.46Å; D63-E66 HydrophobicContact CB-CG 3.9Å; D63-E66 WeakPolarHBondContact O-CB 3.44Å; D63-E66 PolarHBondContact O-N 2.99Å; D63-E66 VanDerWaalsContact O-N 3.11Å; E66-L68 PolarHBondContact O-N 2.97Å; E66-F136 HydrophobicContact CB-CE1 4.15Å; E66-F136 HydrophobicContact CB-CZ 4.31Å; E66-F136 WeakPolarHBondContact O-CE1 3.11Å; E66-Q139 PolarHBondContact O-NE2 2.9Å
67D98Very high98.4Very high57 Ų5757 Ų5731%0.30527%0.272SS..  trans-90.886.2178.8171.817.2000109.8Y69 R70D67-Y69 VanDerWaalsContact C-N 3.35Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.5Å; D67-Y69 PolarHBondContact OD1-N 3.36Å; D67-R70 VanDerWaalsContact CG-NE 3.34Å; D67-R70 PolarHBondContact OD1-N 2.96Å; D67-R70 IonicContact OD2-CZ 2.81Å; D67-R70 IonicContact OD2-NE 3.37Å; D67-R70 PolarHBondContact OD2-NE 3.42Å; D67-R70 IonicContact OD2-NH2 2.74Å; D67-R70 PolarHBondContact OD2-NH2 2.83Å
68L98.7Very high98.4Very high0 Ų054 Ų540%026%0.262CS..  trans-81.3-21.8173.7-170.352.3000111.7V41 I58 V60 E66 R70 H71 F72 T102 I103 F136V41-L68 HydrophobicContact CG1-CD1 3.93Å; V41-L68 HydrophobicContact CG1-CD2 4.32Å; I58-L68 HydrophobicContact CG2-CD1 3.65Å; V60-L68 HydrophobicContact CG1-CD1 4.27Å; V60-L68 HydrophobicContact CG2-CD1 3.91Å; E66-L68 PolarHBondContact O-N 2.97Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 2.69Å; L68-H71 HydrophobicContact CD1-CB 4.37Å; L68-H71 WeakPolarHBondContact O-CB 3.22Å; L68-H71 PolarHBondContact O-N 2.73Å; L68-F72 HydrophobicContact CB-CE1 4.27Å; L68-F72 HydrophobicContact CD2-CE1 4.42Å; L68-F72 HydrophobicContact CG-CD1 4.47Å; L68-F72 HydrophobicContact CG-CE1 3.87Å; L68-F72 WeakPolarHBondContact O-CD1 3.49Å; L68-T102 HydrophobicContact CD2-CG2 3.96Å; L68-I103 HydrophobicContact CD1-CD1 3.91Å; L68-I103 HydrophobicContact CD1-CG1 4.42Å; L68-I103 HydrophobicContact CD2-CD1 4.33Å; L68-I103 HydrophobicContact CD2-CG1 4.41Å; L68-I103 HydrophobicContact CG-CD1 4.04Å; L68-F136 HydrophobicContact CB-CD1 3.95Å; L68-F136 HydrophobicContact CB-CE1 3.68Å; L68-F136 HydrophobicContact CB-CZ 4.28Å; L68-F136 HydrophobicContact CD2-CD1 4.34Å; L68-F136 HydrophobicContact CD2-CD2 4.29Å; L68-F136 HydrophobicContact CD2-CE1 4.19Å; L68-F136 HydrophobicContact CD2-CE2 4.16Å; L68-F136 HydrophobicContact CD2-CG 4.41Å; L68-F136 HydrophobicContact CD2-CZ 4.11Å
69Y98.8Very high98.4Very high30 Ų3054 Ų5412%0.11826%0.262CS..G310 helixtrans-51.1-46.7179.8-173-87.1000112.7D67 H71 F72 Q139 R142 Y143 E146D67-Y69 VanDerWaalsContact C-N 3.35Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.5Å; D67-Y69 PolarHBondContact OD1-N 3.36Å; Y69-H71 PolarHBondContact O-N 3.31Å; Y69-F72 AromaticContact CD2-CD2 3.84Å; Y69-F72 HydrophobicContact CD2-CD2 3.84Å; Y69-F72 AromaticContact CD2-CE2 3.74Å; Y69-F72 HydrophobicContact CD2-CE2 3.74Å; Y69-F72 HydrophobicContact CE2-CD2 4.22Å; Y69-F72 HydrophobicContact CE2-CE2 4.35Å; Y69-F72 HydrophobicContact CG-CD2 4.36Å; Y69-F72 HydrophobicContact CG-CE2 4.44Å; Y69-F72 WeakPolarHBondContact O-CB 2.86Å; Y69-F72 WeakPolarHBondContact O-CG 3.36Å; Y69-F72 PolarHBondContact O-N 3.2Å; Y69-Q139 HydrophobicContact CD2-CB 4.09Å; Y69-Q139 WeakPolarHBondContact CD2-O 3.49Å; Y69-Q139 WeakPolarHBondContact CE2-O 3.33Å; Y69-R142 HydrophobicContact CE2-CB 4.32Å; Y69-R142 HydrophobicContact CE2-CG 4.05Å; Y69-Y143 AromaticContact CE2-CD2 4Å; Y69-Y143 HydrophobicContact CE2-CD2 4Å; Y69-Y143 HydrophobicContact CE2-CG 4.22Å; Y69-Y143 AromaticContact CZ-CD2 3.98Å; Y69-E146 PolarHBondContact OH-OE1 2.91Å; Y69-E146 PolarHBondContact OH-OE2 3.06Å
70R98.4Very high98.4Very high168 Ų16852 Ų5263%0.63425%0.247SC*.G310 helixtrans-55.2-18.617976176.774.9167.72.1114.1D67 L68D67-R70 VanDerWaalsContact CG-NE 3.34Å; D67-R70 PolarHBondContact OD1-N 2.96Å; D67-R70 IonicContact OD2-CZ 2.81Å; D67-R70 IonicContact OD2-NE 3.37Å; D67-R70 PolarHBondContact OD2-NE 3.42Å; D67-R70 IonicContact OD2-NH2 2.74Å; D67-R70 PolarHBondContact OD2-NH2 2.83Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-R70 PolarHBondContact O-N 2.69Å
71H98.8Very high98.5Very high33 Ų3358.9 Ų58.915%0.15328%0.277CS..G310 helixtrans-101.4-8.7-178-60.2-64.5000114I58 L68 Y69 R74 C75I58-H71 HydrophobicContact CD1-CB 4.21Å; I58-H71 HydrophobicContact CG2-CB 4.07Å; L68-H71 HydrophobicContact CD1-CB 4.37Å; L68-H71 WeakPolarHBondContact O-CB 3.22Å; L68-H71 PolarHBondContact O-N 2.73Å; Y69-H71 PolarHBondContact O-N 3.31Å; H71-R74 PolarHBondContact O-N 3.39Å; H71-C75 WeakPolarHBondContact O-CB 3.45Å; H71-C75 PolarHBondContact O-N 3.34Å; H71-C75 PolarHBondContact O-SG 2.59Å
72F98.8Very high98.5Very high1 Ų154 Ų540%0.00426%0.258CS..Hα-helixtrans-57.5-54.7-174.3-74.1-4000112.4L68 Y69 R74 C75 A76 T102 I103 A106 Q139 L140 Y143L68-F72 HydrophobicContact CB-CE1 4.27Å; L68-F72 HydrophobicContact CD2-CE1 4.42Å; L68-F72 HydrophobicContact CG-CD1 4.47Å; L68-F72 HydrophobicContact CG-CE1 3.87Å; L68-F72 WeakPolarHBondContact O-CD1 3.49Å; Y69-F72 AromaticContact CD2-CD2 3.84Å; Y69-F72 HydrophobicContact CD2-CD2 3.84Å; Y69-F72 AromaticContact CD2-CE2 3.74Å; Y69-F72 HydrophobicContact CD2-CE2 3.74Å; Y69-F72 HydrophobicContact CE2-CD2 4.22Å; Y69-F72 HydrophobicContact CE2-CE2 4.35Å; Y69-F72 HydrophobicContact CG-CD2 4.36Å; Y69-F72 HydrophobicContact CG-CE2 4.44Å; Y69-F72 WeakPolarHBondContact O-CB 2.86Å; Y69-F72 WeakPolarHBondContact O-CG 3.36Å; Y69-F72 PolarHBondContact O-N 3.2Å; F72-R74 PolarHBondContact O-N 3.46Å; F72-C75 PolarHBondContact O-N 3.03Å; F72-A76 WeakPolarHBondContact O-CB 3.41Å; F72-A76 PolarHBondContact O-N 2.99Å; F72-T102 HydrophobicContact CE1-CG2 3.58Å; F72-T102 HydrophobicContact CZ-CG2 3.54Å; F72-I103 HydrophobicContact CD1-CD1 3.89Å; F72-I103 HydrophobicContact CE1-CD1 4.25Å; F72-A106 HydrophobicContact CB-CB 4.05Å; F72-A106 HydrophobicContact CD1-CB 3.96Å; F72-A106 HydrophobicContact CD2-CB 4.06Å; F72-A106 HydrophobicContact CE1-CB 4.39Å; F72-A106 HydrophobicContact CE2-CB 4.49Å; F72-A106 HydrophobicContact CG-CB 3.77Å; F72-Q139 HydrophobicContact CE2-CB 4.24Å; F72-Q139 HydrophobicContact CZ-CB 4.15Å; F72-L140 HydrophobicContact CE2-CD2 3.92Å; F72-L140 HydrophobicContact CE2-CG 4.34Å; F72-L140 HydrophobicContact CZ-CD2 3.9Å; F72-L140 HydrophobicContact CZ-CG 4.15Å; F72-Y143 HydrophobicContact CB-CD1 4.41Å; F72-Y143 HydrophobicContact CB-CE1 4.13Å; F72-Y143 HydrophobicContact CB-CE2 4.24Å; F72-Y143 AromaticContact CD2-CD1 3.68Å; F72-Y143 HydrophobicContact CD2-CD1 3.68Å; F72-Y143 HydrophobicContact CD2-CD2 4.05Å; F72-Y143 HydrophobicContact CD2-CE1 4.24Å; F72-Y143 AromaticContact CD2-CG 3.6Å; F72-Y143 HydrophobicContact CD2-CG 3.6Å; F72-Y143 HydrophobicContact CE2-CD1 4.35Å; F72-Y143 HydrophobicContact CE2-CG 4.24Å; F72-Y143 HydrophobicContact CG-CD1 4.42Å
73D98.8Very high98.5Very high46 Ų4652.1 Ų52.125%0.24625%0.251CS..Hα-helixtrans-60.2-49.7-178.9-82.4-34.7000111.3C75 A76 D77 K110 Y143 R150D73-C75 PolarHBondContact O-N 2.93Å; D73-A76 PolarHBondContact O-N 3.34Å; D73-D77 VanDerWaalsContact O-CB 3.3Å; D73-D77 WeakPolarHBondContact O-CB 3.43Å; D73-D77 PolarHBondContact O-N 3.03Å; D73-D77 VanDerWaalsContact O-OD2 3.1Å; D73-K110 VanDerWaalsContact OD1-CE 3.29Å; D73-K110 WeakPolarHBondContact OD1-CE 3.37Å; D73-K110 IonicContact OD1-NZ 3.95Å; D73-K110 PolarHBondContact OD1-NZ 2.87Å; D73-Y143 PolarHBondContact OD1-OH 3.33Å; D73-R150 IonicContact OD1-NH1 3.03Å; D73-R150 PolarHBondContact OD1-NH1 2.87Å; D73-R150 IonicContact OD2-CZ 2.93Å; D73-R150 IonicContact OD2-NH1 3.05Å; D73-R150 PolarHBondContact OD2-NH1 2.95Å; D73-R150 IonicContact OD2-NH2 3.97Å
74R98.7Very high98.6Very high159 Ų15955 Ų5560%0.627%0.267SS*.Hα-helixtrans-58.2-44.2179.6-172.8-172.3169.7-175.1-3112.5M56 H71 F72 A78M56-R74 HydrophobicContact CE-CB 4.49Å; M56-R74 HydrophobicContact CE-CG 3.78Å; H71-R74 PolarHBondContact O-N 3.39Å; F72-R74 PolarHBondContact O-N 3.46Å; R74-A78 WeakPolarHBondContact O-CB 3.45Å; R74-A78 PolarHBondContact O-N 2.85Å; R74-A78 VanDerWaalsContact O-N 3.1Å
75C98.9Very high98.5Very high0 Ų059.2 Ų59.20%028%0.275CS..Hα-helixtrans-70.6-45.6179.6-63.70000111.6I39 M56 H71 F72 D73 D77 A78 I79 I103I39-C75 HydrophobicContact CD1-CB 4.42Å; M56-C75 HydrophobicContact CE-CB 4.49Å; M56-C75 VanDerWaalsContact CE-SG 3.6Å; H71-C75 WeakPolarHBondContact O-CB 3.45Å; H71-C75 PolarHBondContact O-N 3.34Å; H71-C75 PolarHBondContact O-SG 2.59Å; F72-C75 PolarHBondContact O-N 3.03Å; D73-C75 PolarHBondContact O-N 2.93Å; C75-D77 VanDerWaalsContact C-N 3.3Å; C75-D77 PolarHBondContact O-N 3.32Å; C75-A78 PolarHBondContact O-N 3.48Å; C75-I79 VanDerWaalsContact O-CG1 3.29Å; C75-I79 WeakPolarHBondContact O-CG1 3.11Å; C75-I79 PolarHBondContact O-N 2.79Å; C75-I103 HydrophobicContact CB-CD1 4.12Å; C75-I103 HydrophobicContact CB-CG2 3.63Å
76A98.9Very high98.5Very high1 Ų155.8 Ų55.81%0.00827%0.272CS..Hα-helixtrans-59.6-4317900000111.2F72 D73 I79 Q80 Y107 K110 H111F72-A76 WeakPolarHBondContact O-CB 3.41Å; F72-A76 PolarHBondContact O-N 2.99Å; D73-A76 PolarHBondContact O-N 3.34Å; A76-I79 PolarHBondContact O-N 2.79Å; A76-Q80 PolarHBondContact O-N 2.84Å; A76-Y107 HydrophobicContact CB-CD2 4.37Å; A76-Y107 WeakPolarHBondContact O-CD2 3.29Å; A76-K110 HydrophobicContact CB-CB 4.26Å; A76-K110 HydrophobicContact CB-CD 3.77Å; A76-H111 PolarHBondContact O-CD2 3.43Å; A76-H111 VanDerWaalsContact O-CD2 3.27Å; A76-H111 PolarHBondContact O-NE2 3.12Å
77D98.8Very high98.5Very high67 Ų6754.2 Ų54.236%0.35827%0.267SS..Hα-helixtrans-69.4-37.5179.1-64-17.9000112.2D73 C75 Q80 K81 K110 H111D73-D77 VanDerWaalsContact O-CB 3.3Å; D73-D77 WeakPolarHBondContact O-CB 3.43Å; D73-D77 PolarHBondContact O-N 3.03Å; D73-D77 VanDerWaalsContact O-OD2 3.1Å; C75-D77 VanDerWaalsContact C-N 3.3Å; C75-D77 PolarHBondContact O-N 3.32Å; D77-Q80 PolarHBondContact O-N 3.32Å; D77-K81 VanDerWaalsContact O-CB 3.3Å; D77-K81 WeakPolarHBondContact O-CB 3.34Å; D77-K81 PolarHBondContact O-N 2.96Å; D77-K110 WeakPolarHBondContact OD1-CD 3.29Å; D77-K110 WeakPolarHBondContact OD1-CE 3.47Å; D77-K110 IonicContact OD1-NZ 2.73Å; D77-K110 PolarHBondContact OD1-NZ 2.9Å; D77-K110 IonicContact OD2-NZ 3.44Å; D77-K110 PolarHBondContact OD2-NZ 2.62Å; D77-H111 IonicContact OD1-CD2 2.83Å; D77-H111 IonicContact OD1-CE1 3.33Å; D77-H111 PolarHBondContact OD1-CE1 3.17Å; D77-H111 IonicContact OD1-NE2 2.74Å; D77-H111 PolarHBondContact OD1-NE2 2.84Å
78A98.9Very high98.5Very high24 Ų2455.6 Ų55.620%0.19827%0.268CS..Hα-helixtrans-61-47.2172.800000111.4L37 M56 R74 C75 Q80 K81 E82L37-A78 HydrophobicContact CD2-CB 4.09Å; M56-A78 HydrophobicContact SD-CB 4.07Å; R74-A78 WeakPolarHBondContact O-CB 3.45Å; R74-A78 PolarHBondContact O-N 2.85Å; R74-A78 VanDerWaalsContact O-N 3.1Å; C75-A78 PolarHBondContact O-N 3.48Å; A78-Q80 VanDerWaalsContact C-N 3.32Å; A78-Q80 PolarHBondContact O-N 2.94Å; A78-K81 PolarHBondContact O-N 3.31Å; A78-E82 WeakPolarHBondContact O-CG 3.36Å; A78-E82 PolarHBondContact O-N 3.14Å
79I98.9Very high98.6Very high0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-61-42.7176.9-63.4161.2000110.6L16 I39 C75 A76 E82 A83 V91 I103 Y107L16-I79 HydrophobicContact CB-CG2 4.43Å; L16-I79 HydrophobicContact CD1-CD1 4.11Å; L16-I79 HydrophobicContact CD1-CG1 4.42Å; L16-I79 HydrophobicContact CD1-CG2 4.09Å; I39-I79 HydrophobicContact CD1-CD1 4.06Å; I39-I79 HydrophobicContact CD1-CG1 3.7Å; C75-I79 VanDerWaalsContact O-CG1 3.29Å; C75-I79 WeakPolarHBondContact O-CG1 3.11Å; C75-I79 PolarHBondContact O-N 2.79Å; A76-I79 PolarHBondContact O-N 2.79Å; I79-E82 PolarHBondContact O-N 3.15Å; I79-A83 PolarHBondContact O-N 2.84Å; I79-V91 HydrophobicContact CD1-CG2 3.89Å; I79-V91 HydrophobicContact CG1-CG2 4.48Å; I79-I103 HydrophobicContact CD1-CG2 4.21Å; I79-Y107 HydrophobicContact CB-CD2 3.68Å; I79-Y107 HydrophobicContact CB-CE2 3.87Å; I79-Y107 HydrophobicContact CB-CG 4.21Å; I79-Y107 HydrophobicContact CD1-CD2 4.28Å; I79-Y107 HydrophobicContact CD1-CG 4.06Å; I79-Y107 HydrophobicContact CG2-CD1 4.08Å; I79-Y107 HydrophobicContact CG2-CD2 3.59Å; I79-Y107 HydrophobicContact CG2-CE1 3.93Å; I79-Y107 HydrophobicContact CG2-CE2 3.45Å; I79-Y107 VanDerWaalsContact CG2-CE2 3.45Å; I79-Y107 HydrophobicContact CG2-CG 3.9Å
80Q98.8Very high98.6Very high24 Ų2454.2 Ų54.211%0.11226%0.262CS..Hα-helixtrans-67-39.9179-171.158.53600112.3A76 D77 A78 E82 A83 N84 Y107 H111A76-Q80 PolarHBondContact O-N 2.84Å; D77-Q80 PolarHBondContact O-N 3.32Å; A78-Q80 VanDerWaalsContact C-N 3.32Å; A78-Q80 PolarHBondContact O-N 2.94Å; Q80-E82 VanDerWaalsContact C-N 3.32Å; Q80-E82 PolarHBondContact O-N 3.24Å; Q80-A83 PolarHBondContact O-N 2.99Å; Q80-N84 PolarHBondContact NE2-OD1 3.02Å; Q80-N84 PolarHBondContact O-N 2.79Å; Q80-N84 PolarHBondContact O-OD1 2.84Å; Q80-Y107 HydrophobicContact CB-CE2 4.11Å; Q80-Y107 PolarHBondContact OE1-OH 2.65Å; Q80-H111 HydrophobicContact CB-CB 4.46Å; Q80-H111 HydrophobicContact CG-CB 4.34Å
81K98.6Very high98.6Very high148 Ų14846.2 Ų46.264%0.64323%0.232SC*.Hα-helixtrans-60.7-43175.9-175.5179179.9179.20111.3D77 A78 N84 R85D77-K81 VanDerWaalsContact O-CB 3.3Å; D77-K81 WeakPolarHBondContact O-CB 3.34Å; D77-K81 PolarHBondContact O-N 2.96Å; A78-K81 PolarHBondContact O-N 3.31Å; K81-N84 PolarHBondContact O-N 2.93Å; K81-R85 PolarHBondContact O-N 2.93Å
82E98.3Very high98.6Very high12 Ų1244.6 Ų44.66%0.05623%0.225CC..Hα-helixtrans-60.6-47173.2-70.2-57.2124.900112T36 L37 A78 I79 Q80 N84 R85 G86 G87T36-E82 PolarHBondContact OG1-OE2 3.14Å; L37-E82 HydrophobicContact CB-CG 3.57Å; L37-E82 HydrophobicContact CD2-CG 3.45Å; L37-E82 VanDerWaalsContact CD2-CG 3.45Å; L37-E82 HydrophobicContact CG-CG 4.12Å; A78-E82 WeakPolarHBondContact O-CG 3.36Å; A78-E82 PolarHBondContact O-N 3.14Å; I79-E82 PolarHBondContact O-N 3.15Å; Q80-E82 VanDerWaalsContact C-N 3.32Å; Q80-E82 PolarHBondContact O-N 3.24Å; E82-N84 VanDerWaalsContact C-N 3.3Å; E82-N84 PolarHBondContact O-N 3.02Å; E82-R85 VanDerWaalsContact CD-CZ 3.43Å; E82-R85 WeakPolarHBondContact O-CG 3.44Å; E82-R85 PolarHBondContact O-N 2.81Å; E82-R85 IonicContact OE1-CZ 2.96Å; E82-R85 IonicContact OE1-NE 3.08Å; E82-R85 PolarHBondContact OE1-NE 2.99Å; E82-R85 VanDerWaalsContact OE1-NE 3.08Å; E82-R85 IonicContact OE1-NH1 3.81Å; E82-R85 IonicContact OE1-NH2 2.74Å; E82-R85 PolarHBondContact OE1-NH2 3.05Å; E82-R85 IonicContact OE2-CZ 3.17Å; E82-R85 IonicContact OE2-NE 2.91Å; E82-R85 PolarHBondContact OE2-NE 3.32Å; E82-R85 IonicContact OE2-NH2 2.71Å; E82-R85 PolarHBondContact OE2-NH2 3.07Å; E82-G86 PolarHBondContact O-N 3.11Å; E82-G87 WeakPolarHBondContact O-CA 3.44Å; E82-G87 PolarHBondContact O-N 3.43Å
83A98.4Very high98.6Very high21 Ų2144.6 Ų44.617%0.17423%0.225CC..Hα-helixtrans-60.2-40.8179.100000112.1A15 I79 Q80 R85 G86A15-A83 HydrophobicContact CB-CB 3.6Å; I79-A83 PolarHBondContact O-N 2.84Å; Q80-A83 PolarHBondContact O-N 2.99Å; A83-R85 VanDerWaalsContact C-N 3.27Å; A83-R85 PolarHBondContact O-N 3.12Å; A83-G86 PolarHBondContact O-N 3.47Å; A83-G86 VanDerWaalsContact O-N 3.12Å
84N98.4Very high98.5Very high126 Ų12648 Ų4867%0.67424%0.237SC*.Hα-helixtrans-65.1-28.4-179.9-71.4-7.2000113.2Q80 K81 E82 G86Q80-N84 PolarHBondContact NE2-OD1 3.02Å; Q80-N84 PolarHBondContact O-N 2.79Å; Q80-N84 PolarHBondContact O-OD1 2.84Å; K81-N84 PolarHBondContact O-N 2.93Å; E82-N84 VanDerWaalsContact C-N 3.3Å; E82-N84 PolarHBondContact O-N 3.02Å; N84-G86 VanDerWaalsContact C-N 3.34Å
85R97.4Very high98.5Very high148 Ų14844.5 Ų44.556%0.55823%0.231SC*.THydrogen-bonded Turntrans-92.310.2175.769.6178.2-170.5171.85.6113.9K81 E82 A83 G87K81-R85 PolarHBondContact O-N 2.93Å; E82-R85 VanDerWaalsContact CD-CZ 3.43Å; E82-R85 WeakPolarHBondContact O-CG 3.44Å; E82-R85 PolarHBondContact O-N 2.81Å; E82-R85 IonicContact OE1-CZ 2.96Å; E82-R85 IonicContact OE1-NE 3.08Å; E82-R85 PolarHBondContact OE1-NE 2.99Å; E82-R85 VanDerWaalsContact OE1-NE 3.08Å; E82-R85 IonicContact OE1-NH1 3.81Å; E82-R85 IonicContact OE1-NH2 2.74Å; E82-R85 PolarHBondContact OE1-NH2 3.05Å; E82-R85 IonicContact OE2-CZ 3.17Å; E82-R85 IonicContact OE2-NE 2.91Å; E82-R85 PolarHBondContact OE2-NE 3.32Å; E82-R85 IonicContact OE2-NH2 2.71Å; E82-R85 PolarHBondContact OE2-NH2 3.07Å; A83-R85 VanDerWaalsContact C-N 3.27Å; A83-R85 PolarHBondContact O-N 3.12Å; R85-G87 VanDerWaalsContact C-N 3.27Å; R85-G87 PolarHBondContact O-N 3.43Å
86G97.8Very high98.4Very high66 Ų6644.5 Ų44.568%0.6823%0.231SC*.THydrogen-bonded Turntrans77.57.3-177.600000115E82 A83 N84E82-G86 PolarHBondContact O-N 3.11Å; A83-G86 PolarHBondContact O-N 3.47Å; A83-G86 VanDerWaalsContact O-N 3.12Å; N84-G86 VanDerWaalsContact C-N 3.34Å
87G98Very high98.4Very high8 Ų850 Ų508%0.08225%0.251CS..  trans-79.6175.3176.800000113.5T36 E82 R85T36-G87 WeakPolarHBondContact OG1-CA 3.45Å; E82-G87 WeakPolarHBondContact O-CA 3.44Å; E82-G87 PolarHBondContact O-N 3.43Å; R85-G87 VanDerWaalsContact C-N 3.27Å; R85-G87 PolarHBondContact O-N 3.43Å
88R98.5Very high98.4Very high86 Ų8647 Ų4733%0.32524%0.235SC..  trans-134.1132-177.7-63.8170.6-176.8-173.27.8110.4F17 E33 T36 L37F17-R88 HydrophobicContact CE2-CB 4.15Å; F17-R88 HydrophobicContact CE2-CG 4.38Å; E33-R88 WeakPolarHBondContact O-CD 3.43Å; E33-R88 PolarHBondContact O-NH1 3.47Å; E33-R88 IonicContact OE2-NH1 3.06Å; T36-R88 PolarHBondContact N-O 2.95Å; T36-R88 PolarHBondContact OG1-N 3.25Å; T36-R88 PolarHBondContact OG1-O 3.12Å; L37-R88 PolarHBondContact N-O 3.31Å
89S98.8Very high98.4Very high0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-102.9137.2-179.3-58.90000111.4A15 L16 F17 L37A15-S89 PolarHBondContact O-N 3.13Å; L16-S89 CarbonylContact C-O 3.44Å; L16-S89 WeakPolarHBondContact CA-O 3.33Å; F17-S89 PolarHBondContact N-O 3.41Å; L37-S89 CarbonylContact O-C 3.43Å; L37-S89 VanDerWaalsContact O-CA 3.32Å; L37-S89 WeakPolarHBondContact O-CA 3.22Å
90L98.9Very high98.4Very high0 Ų046.7 Ų46.70%023%0.229CC..EExtended strand (participates in β ladder)trans-107.4126.5164.8174.861.3000109.5L9 F17 A24 I30 V35 L37 C38 I39 Y92L9-L90 HydrophobicContact CD1-CD2 4.3Å; L9-L90 HydrophobicContact CD2-CD1 3.89Å; L9-L90 HydrophobicContact CD2-CD2 3.84Å; F17-L90 HydrophobicContact CB-CD1 3.84Å; A24-L90 HydrophobicContact CB-CD2 3.77Å; I30-L90 HydrophobicContact CD1-CD2 3.59Å; V35-L90 HydrophobicContact CG1-CB 3.73Å; V35-L90 HydrophobicContact CG2-CB 4.27Å; L37-L90 PolarHBondContact O-N 2.93Å; C38-L90 CarbonylContact C-O 3.6Å; C38-L90 WeakPolarHBondContact CA-O 3.29Å; I39-L90 PolarHBondContact N-O 3.47Å; L90-Y92 HydrophobicContact CD2-CD1 4.32Å; L90-Y92 HydrophobicContact CG-CD1 4.25Å
91V98.9Very high98.4Very high0 Ų045.5 Ų45.50%022%0.224CC..EExtended strand (participates in β ladder)trans-111.4124170.8-172.70000108.8L16 F17 I18 S19 I39 V41 I79 I103L16-V91 HydrophobicContact CD1-CG2 3.62Å; F17-V91 PolarHBondContact O-N 2.91Å; I18-V91 WeakPolarHBondContact CA-O 3.3Å; S19-V91 PolarHBondContact N-O 2.83Å; I39-V91 HydrophobicContact CB-CG1 4.37Å; I39-V91 HydrophobicContact CB-CG2 4.18Å; I39-V91 HydrophobicContact CD1-CG2 4.24Å; I39-V91 HydrophobicContact CG1-CG2 4.45Å; I39-V91 WeakPolarHBondContact O-CA 3.43Å; V41-V91 HydrophobicContact CG2-CG1 3.74Å; I79-V91 HydrophobicContact CD1-CG2 3.89Å; I79-V91 HydrophobicContact CG1-CG2 4.48Å; V91-I103 HydrophobicContact CG1-CB 3.98Å; V91-I103 HydrophobicContact CG1-CG2 3.88Å; V91-I103 HydrophobicContact CG2-CG2 4.31Å
92Y98.8Very high98.4Very high0 Ų038.5 Ų38.50%019%0.193CC..EExtended strand (participates in β ladder)trans-140.3159-178.471.9-81.2000112.2S19 A21 A24 C38 I39 N40 V41 Q45 P46 F47 L90S19-Y92 WeakPolarHBondContact O-CA 3.45Å; S19-Y92 WeakPolarHBondContact O-CB 3.44Å; A21-Y92 HydrophobicContact CB-CD2 4.26Å; A24-Y92 HydrophobicContact CB-CD1 3.59Å; A24-Y92 HydrophobicContact CB-CD2 3.48Å; A24-Y92 VanDerWaalsContact CB-CD2 3.48Å; A24-Y92 HydrophobicContact CB-CE1 3.95Å; A24-Y92 HydrophobicContact CB-CE2 3.83Å; A24-Y92 HydrophobicContact CB-CG 3.33Å; C38-Y92 HydrophobicContact CB-CE1 4.25Å; I39-Y92 PolarHBondContact O-N 2.83Å; N40-Y92 HydrophobicContact CB-CE1 3.85Å; N40-Y92 HydrophobicContact CB-CE2 4.13Å; N40-Y92 WeakPolarHBondContact CB-OH 3.41Å; N40-Y92 PolarHBondContact ND2-OH 3.34Å; V41-Y92 PolarHBondContact N-O 2.77Å; Q45-Y92 HydrophobicContact CB-CE2 4.3Å; P46-Y92 PolarHBondContact O-OH 3.22Å; F47-Y92 WeakPolarHBondContact CA-OH 3.43Å; F47-Y92 WeakPolarHBondContact CD1-OH 3.3Å; L90-Y92 HydrophobicContact CD2-CD1 4.32Å; L90-Y92 HydrophobicContact CG-CD1 4.25Å
93C98.5Very high98.4Very high0 Ų037.9 Ų37.90%019%0.19CC..EExtended strand (participates in β ladder)trans-140.9-168.8167.971.30000107.8N20 A21 V41 N95 G96 R99 S100N20-C93 CarbonylContact C-O 3.59Å; A21-C93 PolarHBondContact N-O 3.16Å; V41-C93 HydrophobicContact CB-CB 4.44Å; V41-C93 WeakPolarHBondContact O-CB 3.18Å; C93-N95 PolarHBondContact O-N 2.93Å; C93-G96 PolarHBondContact SG-N 2.77Å; C93-R99 HydrophobicContact CB-CB 3.92Å; C93-S100 PolarHBondContact SG-OG 2.6Å
94K97.9Very high98.5Very high118 Ų11836.9 Ų36.951%0.51318%0.182SC..SBendtrans-51.5-53.6-179.4-172.4177.6179.3176.30112.6N20 A21 Q45N20-K94 WeakPolarHBondContact CB-O 3.32Å; A21-K94 PolarHBondContact N-O 2.98Å; Q45-K94 HydrophobicContact CG-CB 4.24Å
95N97.5Very high98.5Very high86 Ų8631 Ų3146%0.4615%0.15SC..SBendtrans-104.2-13.8-172.9-62.8-26.1000113.9C93 R97 R127C93-N95 PolarHBondContact O-N 2.93Å; N95-R97 VanDerWaalsContact C-N 3.29Å; N95-R97 HydrophobicContact CB-CB 4.12Å; N95-R97 PolarHBondContact O-N 3.2Å; N95-R127 PolarHBondContact O-NH2 3.49Å; N95-R127 VanDerWaalsContact O-NH2 3.07Å
96G97.6Very high98.5Very high0 Ų023.9 Ų23.90%012%0.124CC..SBendtrans6236.9-170.600000112.7S19 C93 S100 R127S19-G96 WeakPolarHBondContact O-CA 3.32Å; C93-G96 PolarHBondContact SG-N 2.77Å; G96-S100 WeakPolarHBondContact CA-OG 3.19Å; G96-R127 VanDerWaalsContact O-CD 3.22Å; G96-R127 WeakPolarHBondContact O-CD 3.5Å; G96-R127 PolarHBondContact O-NE 2.96Å
97R98.4Very high98.6Very high115 Ų11520.8 Ų20.843%0.4349%0.091SC..SBendtrans-117.4-56.1-171.6170163-175.9-129.32.5112.7N95 A101 V129 V130 D131N95-R97 VanDerWaalsContact C-N 3.29Å; N95-R97 HydrophobicContact CB-CB 4.12Å; N95-R97 PolarHBondContact O-N 3.2Å; R97-A101 VanDerWaalsContact O-CB 3.27Å; R97-A101 WeakPolarHBondContact O-CB 3.45Å; R97-V129 WeakPolarHBondContact CD-O 3.44Å; R97-V129 WeakPolarHBondContact CG-O 3.21Å; R97-V130 WeakPolarHBondContact O-CA 3.37Å; R97-D131 HydrophobicContact CG-CB 4.01Å; R97-D131 IonicContact CZ-OD2 3.49Å; R97-D131 IonicContact NE-OD2 3.73Å; R97-D131 IonicContact NH2-OD2 2.64Å; R97-D131 PolarHBondContact NH2-OD2 3.38Å; R97-D131 CarbonylContact O-C 3.4Å; R97-D131 PolarHBondContact O-N 3.3Å
98S98.7Very high98.6Very high4 Ų420.5 Ų20.53%0.0289%0.088CC..SBendtrans-106.2-87.4-172.8168.30000111.5D62 S100 A101 T102 D131 N133 F136D62-S98 WeakPolarHBondContact OD1-CB 3.09Å; D62-S98 PolarHBondContact OD1-OG 3.45Å; D62-S98 WeakPolarHBondContact OD2-CB 3.3Å; S98-S100 PolarHBondContact O-N 3.16Å; S98-S100 VanDerWaalsContact O-N 3.12Å; S98-A101 WeakPolarHBondContact O-CA 3.32Å; S98-A101 VanDerWaalsContact O-CB 3.3Å; S98-A101 WeakPolarHBondContact O-CB 3.3Å; S98-A101 PolarHBondContact O-N 2.87Å; S98-T102 PolarHBondContact O-N 3.38Å; S98-T102 PolarHBondContact O-OG1 3.36Å; S98-D131 WeakPolarHBondContact CB-O 3.37Å; S98-N133 PolarHBondContact OG-N 3.06Å; S98-F136 WeakPolarHBondContact OG-CD2 3.43Å
99R98.8Very high98.7Very high18 Ų1816.5 Ų16.57%0.0687%0.073CC..Hα-helixtrans-37.8-55.3-179.7-71.9173-74.1-173.3-7.7116.6V41 V60 Y61 D62 C93 A101 T102 I103 F136V41-R99 HydrophobicContact CB-CB 4.08Å; V41-R99 HydrophobicContact CG1-CB 3.72Å; V41-R99 HydrophobicContact CG1-CG 4.39Å; V41-R99 VanDerWaalsContact O-CD 3.29Å; V41-R99 WeakPolarHBondContact O-CD 3.45Å; V60-R99 HydrophobicContact CG2-CG 4.19Å; V60-R99 PolarHBondContact O-NH1 3.27Å; Y61-R99 WeakPolarHBondContact O-CD 3.37Å; D62-R99 HydrophobicContact CB-CG 4.26Å; C93-R99 HydrophobicContact CB-CB 3.92Å; R99-A101 VanDerWaalsContact C-N 3.33Å; R99-A101 PolarHBondContact O-N 3.41Å; R99-T102 WeakPolarHBondContact O-CB 3.19Å; R99-T102 PolarHBondContact O-N 3.19Å; R99-I103 PolarHBondContact O-N 3.2Å; R99-F136 HydrophobicContact CB-CE2 4.37Å; R99-F136 HydrophobicContact CG-CE2 3.5Å; R99-F136 VanDerWaalsContact CG-CE2 3.5Å; R99-F136 HydrophobicContact CG-CZ 3.99Å
100S98.8Very high98.7Very high0 Ų018.7 Ų18.70%08%0.083CC..Hα-helixtrans-68.5-33.7-178.658.60000112.6C93 G96 S98 C104C93-S100 PolarHBondContact SG-OG 2.6Å; G96-S100 WeakPolarHBondContact CA-OG 3.19Å; S98-S100 PolarHBondContact O-N 3.16Å; S98-S100 VanDerWaalsContact O-N 3.12Å; S100-C104 PolarHBondContact O-N 3.43Å; S100-C104 VanDerWaalsContact O-N 3.11Å; S100-C104 PolarHBondContact O-SG 3.27Å
101A98.9Very high98.6Very high0 Ų021.5 Ų21.50%010%0.095CC..Hα-helixtrans-67.8-42.5175.600000110.8I18 R97 S98 R99 I103 C104 I105 V123 V130 P132I18-A101 HydrophobicContact CD1-CB 3.88Å; R97-A101 VanDerWaalsContact O-CB 3.27Å; R97-A101 WeakPolarHBondContact O-CB 3.45Å; S98-A101 WeakPolarHBondContact O-CA 3.32Å; S98-A101 VanDerWaalsContact O-CB 3.3Å; S98-A101 WeakPolarHBondContact O-CB 3.3Å; S98-A101 PolarHBondContact O-N 2.87Å; R99-A101 VanDerWaalsContact C-N 3.33Å; R99-A101 PolarHBondContact O-N 3.41Å; A101-I103 VanDerWaalsContact C-N 3.3Å; A101-I103 PolarHBondContact O-N 3.42Å; A101-C104 WeakPolarHBondContact O-CB 3.45Å; A101-C104 PolarHBondContact O-N 3.28Å; A101-C104 VanDerWaalsContact O-N 3.07Å; A101-I105 VanDerWaalsContact O-CG1 3.24Å; A101-I105 WeakPolarHBondContact O-CG1 3.24Å; A101-I105 PolarHBondContact O-N 3.16Å; A101-V123 HydrophobicContact CB-CG1 4.19Å; A101-V130 HydrophobicContact CB-CB 4.31Å; A101-V130 HydrophobicContact CB-CG1 3.52Å; A101-V130 HydrophobicContact CB-CG2 3.99Å; A101-P132 HydrophobicContact CB-CG 4.39Å
102T98.9Very high98.6Very high0 Ų026.8 Ų26.80%012%0.115CC..Hα-helixtrans-53.7-47.2175.1-49.60000111.6L68 F72 S98 R99 I105 A106 F136 L140L68-T102 HydrophobicContact CD2-CG2 3.96Å; F72-T102 HydrophobicContact CE1-CG2 3.58Å; F72-T102 HydrophobicContact CZ-CG2 3.54Å; S98-T102 PolarHBondContact O-N 3.38Å; S98-T102 PolarHBondContact O-OG1 3.36Å; R99-T102 WeakPolarHBondContact O-CB 3.19Å; R99-T102 PolarHBondContact O-N 3.19Å; T102-I105 PolarHBondContact O-N 3.13Å; T102-A106 WeakPolarHBondContact O-CB 3.35Å; T102-A106 PolarHBondContact O-N 3.34Å; T102-F136 HydrophobicContact CG2-CB 3.84Å; T102-F136 HydrophobicContact CG2-CG 4.27Å; T102-L140 HydrophobicContact CG2-CD1 3.81Å; T102-L140 HydrophobicContact CG2-CD2 4Å; T102-L140 HydrophobicContact CG2-CG 3.8Å
103I98.9Very high98.5Very high0 Ų028.7 Ų28.70%014%0.135CC..Hα-helixtrans-63.8-41.9176.2-66-56.7000112.2V41 L68 F72 C75 I79 V91 R99 A101 I105 A106 Y107V41-I103 HydrophobicContact CG1-CG1 4.23Å; V41-I103 HydrophobicContact CG2-CB 4.5Å; V41-I103 HydrophobicContact CG2-CG1 3.89Å; L68-I103 HydrophobicContact CD1-CD1 3.91Å; L68-I103 HydrophobicContact CD1-CG1 4.42Å; L68-I103 HydrophobicContact CD2-CD1 4.33Å; L68-I103 HydrophobicContact CD2-CG1 4.41Å; L68-I103 HydrophobicContact CG-CD1 4.04Å; F72-I103 HydrophobicContact CD1-CD1 3.89Å; F72-I103 HydrophobicContact CE1-CD1 4.25Å; C75-I103 HydrophobicContact CB-CD1 4.12Å; C75-I103 HydrophobicContact CB-CG2 3.63Å; I79-I103 HydrophobicContact CD1-CG2 4.21Å; V91-I103 HydrophobicContact CG1-CB 3.98Å; V91-I103 HydrophobicContact CG1-CG2 3.88Å; V91-I103 HydrophobicContact CG2-CG2 4.31Å; R99-I103 PolarHBondContact O-N 3.2Å; A101-I103 VanDerWaalsContact C-N 3.3Å; A101-I103 PolarHBondContact O-N 3.42Å; I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 PolarHBondContact O-N 3.05Å; I103-A106 PolarHBondContact O-N 2.82Å; I103-Y107 PolarHBondContact O-N 3.11Å
104C98.9Very high98.5Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-62-41.9176.4-66.30000112L16 S100 A101 Y107 L108 V123L16-C104 HydrophobicContact CD2-CB 4.17Å; S100-C104 PolarHBondContact O-N 3.43Å; S100-C104 VanDerWaalsContact O-N 3.11Å; S100-C104 PolarHBondContact O-SG 3.27Å; A101-C104 WeakPolarHBondContact O-CB 3.45Å; A101-C104 PolarHBondContact O-N 3.28Å; A101-C104 VanDerWaalsContact O-N 3.07Å; C104-Y107 WeakPolarHBondContact O-CB 3.37Å; C104-Y107 PolarHBondContact O-N 3.36Å; C104-L108 WeakPolarHBondContact O-CG 3.44Å; C104-L108 PolarHBondContact O-N 3.12Å; C104-V123 HydrophobicContact CB-CG1 4.23Å; C104-V123 HydrophobicContact CB-CG2 3.82Å
105I98.9Very high98.6Very high1 Ų127.4 Ų27.41%0.00514%0.135CC..Hα-helixtrans-65-48.3178.2-65.7164.7000109.8A101 T102 I103 Y107 L108 M109 L116 A119 V123 P132 L140A101-I105 VanDerWaalsContact O-CG1 3.24Å; A101-I105 WeakPolarHBondContact O-CG1 3.24Å; A101-I105 PolarHBondContact O-N 3.16Å; T102-I105 PolarHBondContact O-N 3.13Å; I103-I105 VanDerWaalsContact C-N 3.34Å; I103-I105 PolarHBondContact O-N 3.05Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 PolarHBondContact O-N 2.88Å; I105-L108 PolarHBondContact O-N 3.23Å; I105-L108 VanDerWaalsContact O-N 3.13Å; I105-M109 HydrophobicContact CG2-CE 4.27Å; I105-M109 HydrophobicContact CG2-CG 4.43Å; I105-M109 HydrophobicContact CG2-SD 4.37Å; I105-M109 WeakPolarHBondContact O-CG 3.5Å; I105-M109 PolarHBondContact O-N 3.26Å; I105-L116 HydrophobicContact CG2-CD1 3.61Å; I105-A119 HydrophobicContact CB-CB 4.48Å; I105-A119 HydrophobicContact CG2-CB 3.77Å; I105-V123 HydrophobicContact CG1-CB 4.29Å; I105-V123 HydrophobicContact CG1-CG2 3.87Å; I105-P132 HydrophobicContact CD1-CG 3.92Å; I105-L140 HydrophobicContact CB-CD1 4.24Å; I105-L140 HydrophobicContact CB-CD2 4.17Å; I105-L140 HydrophobicContact CD1-CD1 4.13Å; I105-L140 HydrophobicContact CG2-CD1 3.97Å; I105-L140 HydrophobicContact CG2-CD2 3.87Å; I105-L140 HydrophobicContact CG2-CG 4.5Å
106A98.9Very high98.6Very high0 Ų023.9 Ų23.90%012%0.116CC..Hα-helixtrans-55.9-43.4176.400000112.1F72 T102 I103 M109 K110 L140 Y143F72-A106 HydrophobicContact CB-CB 4.05Å; F72-A106 HydrophobicContact CD1-CB 3.96Å; F72-A106 HydrophobicContact CD2-CB 4.06Å; F72-A106 HydrophobicContact CE1-CB 4.39Å; F72-A106 HydrophobicContact CE2-CB 4.49Å; F72-A106 HydrophobicContact CG-CB 3.77Å; T102-A106 WeakPolarHBondContact O-CB 3.35Å; T102-A106 PolarHBondContact O-N 3.34Å; I103-A106 PolarHBondContact O-N 2.82Å; A106-M109 PolarHBondContact O-N 2.85Å; A106-K110 WeakPolarHBondContact O-CB 3.46Å; A106-K110 PolarHBondContact O-N 2.85Å; A106-L140 HydrophobicContact CB-CD2 4.05Å; A106-Y143 HydrophobicContact CB-CD1 4.03Å; A106-Y143 HydrophobicContact CB-CE1 3.89Å
107Y98.9Very high98.7Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-58.6-49.7174.1164.6-102.6000113L16 A76 I79 Q80 I103 C104 I105 M109 K110 H111 R112L16-Y107 HydrophobicContact CD2-CD1 3.43Å; L16-Y107 VanDerWaalsContact CD2-CD1 3.43Å; L16-Y107 HydrophobicContact CD2-CE1 3.86Å; L16-Y107 HydrophobicContact CD2-CG 4.29Å; A76-Y107 HydrophobicContact CB-CD2 4.37Å; A76-Y107 WeakPolarHBondContact O-CD2 3.29Å; I79-Y107 HydrophobicContact CB-CD2 3.68Å; I79-Y107 HydrophobicContact CB-CE2 3.87Å; I79-Y107 HydrophobicContact CB-CG 4.21Å; I79-Y107 HydrophobicContact CD1-CD2 4.28Å; I79-Y107 HydrophobicContact CD1-CG 4.06Å; I79-Y107 HydrophobicContact CG2-CD1 4.08Å; I79-Y107 HydrophobicContact CG2-CD2 3.59Å; I79-Y107 HydrophobicContact CG2-CE1 3.93Å; I79-Y107 HydrophobicContact CG2-CE2 3.45Å; I79-Y107 VanDerWaalsContact CG2-CE2 3.45Å; I79-Y107 HydrophobicContact CG2-CG 3.9Å; Q80-Y107 HydrophobicContact CB-CE2 4.11Å; Q80-Y107 PolarHBondContact OE1-OH 2.65Å; I103-Y107 PolarHBondContact O-N 3.11Å; C104-Y107 WeakPolarHBondContact O-CB 3.37Å; C104-Y107 PolarHBondContact O-N 3.36Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 PolarHBondContact O-N 2.88Å; Y107-M109 VanDerWaalsContact C-N 3.31Å; Y107-M109 PolarHBondContact O-N 2.73Å; Y107-K110 PolarHBondContact O-N 3.02Å; Y107-H111 HydrophobicContact CD2-CB 4.18Å; Y107-H111 AromaticContact CD2-CD2 3.89Å; Y107-H111 HydrophobicContact CE2-CB 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.99Å; Y107-H111 PolarHBondContact O-N 3.49Å; Y107-R112 HydrophobicContact CE1-CG 4.32Å; Y107-R112 PolarHBondContact OH-NE 3.07Å; Y107-R112 PolarHBondContact OH-NH2 3.3Å
108L98.9Very high98.7Very high3 Ų328.5 Ų28.52%0.01615%0.151CC..Hα-helixtrans-62.2-41.3-179.7-71.9175000111.4V12 T13 C104 I105 R112 G113 L114 A119 R122 V123V12-L108 HydrophobicContact CG1-CD1 3.94Å; T13-L108 HydrophobicContact CG2-CD2 3.72Å; C104-L108 WeakPolarHBondContact O-CG 3.44Å; C104-L108 PolarHBondContact O-N 3.12Å; I105-L108 PolarHBondContact O-N 3.23Å; I105-L108 VanDerWaalsContact O-N 3.13Å; L108-R112 HydrophobicContact CD2-CB 4.35Å; L108-R112 HydrophobicContact CD2-CG 3.87Å; L108-R112 CarbonylContact O-C 3.56Å; L108-R112 VanDerWaalsContact O-CA 3.29Å; L108-R112 WeakPolarHBondContact O-CA 3.46Å; L108-R112 WeakPolarHBondContact O-CB 3.06Å; L108-R112 PolarHBondContact O-N 3.34Å; L108-G113 PolarHBondContact O-N 3.32Å; L108-L114 HydrophobicContact CB-CD1 4.19Å; L108-L114 HydrophobicContact CD1-CD1 4.5Å; L108-L114 HydrophobicContact CD2-CD1 4.47Å; L108-L114 PolarHBondContact O-N 2.68Å; L108-A119 HydrophobicContact CB-CB 3.76Å; L108-A119 HydrophobicContact CD1-CB 4.19Å; L108-R122 HydrophobicContact CD1-CB 3.99Å; L108-R122 HydrophobicContact CD1-CG 3.81Å; L108-V123 HydrophobicContact CD1-CG2 3.65Å
109M98.8Very high98.7Very high2 Ų228.3 Ų28.31%0.0115%0.149CC..Hα-helixtrans-63.1-49.6176.2-66.9-168.6-57.600111.2I105 A106 Y107 G113 L114 L116 A119 L140 Y143 E144 L147 R151I105-M109 HydrophobicContact CG2-CE 4.27Å; I105-M109 HydrophobicContact CG2-CG 4.43Å; I105-M109 HydrophobicContact CG2-SD 4.37Å; I105-M109 WeakPolarHBondContact O-CG 3.5Å; I105-M109 PolarHBondContact O-N 3.26Å; A106-M109 PolarHBondContact O-N 2.85Å; Y107-M109 VanDerWaalsContact C-N 3.31Å; Y107-M109 PolarHBondContact O-N 2.73Å; M109-G113 PolarHBondContact O-N 2.9Å; M109-L114 VanDerWaalsContact CA-O 3.29Å; M109-L114 WeakPolarHBondContact CA-O 3.4Å; M109-L114 WeakPolarHBondContact CG-O 3.4Å; M109-L116 HydrophobicContact CE-CD1 4.43Å; M109-L116 WeakPolarHBondContact SD-CA 3.39Å; M109-L116 HydrophobicContact SD-CB 3.7Å; M109-L116 HydrophobicContact SD-CD1 3.98Å; M109-L116 HydrophobicContact SD-CG 4.44Å; M109-A119 HydrophobicContact CG-CB 3.82Å; M109-L140 HydrophobicContact CE-CB 4.32Å; M109-L140 HydrophobicContact CE-CD2 3.64Å; M109-Y143 HydrophobicContact CE-CD1 3.66Å; M109-Y143 HydrophobicContact CE-CG 4.47Å; M109-E144 HydrophobicContact SD-CB 4.04Å; M109-L147 HydrophobicContact CB-CD1 3.79Å; M109-R151 PolarHBondContact O-NH2 3.28Å
110K98.7Very high98.7Very high46 Ų4628.8 Ų28.820%0.216%0.156CC..Hα-helixtrans-63.8-57.9-177.5-172.6-177.3-171.4166.20112.4D73 A76 D77 A106 Y107 Y143 L147 R151D73-K110 VanDerWaalsContact OD1-CE 3.29Å; D73-K110 WeakPolarHBondContact OD1-CE 3.37Å; D73-K110 IonicContact OD1-NZ 3.95Å; D73-K110 PolarHBondContact OD1-NZ 2.87Å; A76-K110 HydrophobicContact CB-CB 4.26Å; A76-K110 HydrophobicContact CB-CD 3.77Å; D77-K110 WeakPolarHBondContact OD1-CD 3.29Å; D77-K110 WeakPolarHBondContact OD1-CE 3.47Å; D77-K110 IonicContact OD1-NZ 2.73Å; D77-K110 PolarHBondContact OD1-NZ 2.9Å; D77-K110 IonicContact OD2-NZ 3.44Å; D77-K110 PolarHBondContact OD2-NZ 2.62Å; A106-K110 WeakPolarHBondContact O-CB 3.46Å; A106-K110 PolarHBondContact O-N 2.85Å; Y107-K110 PolarHBondContact O-N 3.02Å; K110-Y143 HydrophobicContact CB-CE1 4.36Å; K110-Y143 VanDerWaalsContact CD-OH 3.32Å; K110-Y143 WeakPolarHBondContact CD-OH 3.24Å; K110-L147 HydrophobicContact CB-CD1 4.24Å; K110-L147 HydrophobicContact CB-CD2 4.28Å; K110-L147 HydrophobicContact CG-CD2 4.06Å; K110-R151 PolarHBondContact O-NH2 3.31Å
111H98.5Very high98.7Very high58 Ų5834.4 Ų34.427%0.26918%0.182SC..Hα-helixtrans-100.3-13.4-165.2-75.8-64.4000114.7A76 D77 Q80 Y107A76-H111 PolarHBondContact O-CD2 3.43Å; A76-H111 VanDerWaalsContact O-CD2 3.27Å; A76-H111 PolarHBondContact O-NE2 3.12Å; D77-H111 IonicContact OD1-CD2 2.83Å; D77-H111 IonicContact OD1-CE1 3.33Å; D77-H111 PolarHBondContact OD1-CE1 3.17Å; D77-H111 IonicContact OD1-NE2 2.74Å; D77-H111 PolarHBondContact OD1-NE2 2.84Å; Q80-H111 HydrophobicContact CB-CB 4.46Å; Q80-H111 HydrophobicContact CG-CB 4.34Å; Y107-H111 HydrophobicContact CD2-CB 4.18Å; Y107-H111 AromaticContact CD2-CD2 3.89Å; Y107-H111 HydrophobicContact CE2-CB 3.78Å; Y107-H111 AromaticContact CE2-CD2 3.99Å; Y107-H111 PolarHBondContact O-N 3.49Å
112R97.9Very high98.7Very high111 Ų11141.2 Ų41.242%0.41921%0.207SC..Hα-helixtrans-112.62.9177.2-51.3-59.8176.4-173.44.2113.4Y107 L108 L114Y107-R112 HydrophobicContact CE1-CG 4.32Å; Y107-R112 PolarHBondContact OH-NE 3.07Å; Y107-R112 PolarHBondContact OH-NH2 3.3Å; L108-R112 HydrophobicContact CD2-CB 4.35Å; L108-R112 HydrophobicContact CD2-CG 3.87Å; L108-R112 CarbonylContact O-C 3.56Å; L108-R112 VanDerWaalsContact O-CA 3.29Å; L108-R112 WeakPolarHBondContact O-CA 3.46Å; L108-R112 WeakPolarHBondContact O-CB 3.06Å; L108-R112 PolarHBondContact O-N 3.34Å; R112-L114 HydrophobicContact CB-CG 4.2Å; R112-L114 PolarHBondContact O-N 3.34Å
113G97.5Very high98.7Very high40 Ų4041.2 Ų41.241%0.41221%0.207SC..  trans76.4-2.8174.600000114.8L108 M109 R151L108-G113 PolarHBondContact O-N 3.32Å; M109-G113 PolarHBondContact O-N 2.9Å; G113-R151 PolarHBondContact O-NH1 2.64Å
114L98.5Very high98.6Very high44 Ų4445 Ų4523%0.2322%0.224CC..  trans-69148.5-171.9-59.4-168.9000111.8L108 M109 R112 E118 A119L108-L114 HydrophobicContact CB-CD1 4.19Å; L108-L114 HydrophobicContact CD1-CD1 4.5Å; L108-L114 HydrophobicContact CD2-CD1 4.47Å; L108-L114 PolarHBondContact O-N 2.68Å; M109-L114 VanDerWaalsContact CA-O 3.29Å; M109-L114 WeakPolarHBondContact CA-O 3.4Å; M109-L114 WeakPolarHBondContact CG-O 3.4Å; R112-L114 HydrophobicContact CB-CG 4.2Å; R112-L114 PolarHBondContact O-N 3.34Å; L114-E118 HydrophobicContact CB-CB 4.07Å; L114-E118 HydrophobicContact CD1-CB 4.4Å; L114-E118 HydrophobicContact CD2-CB 4.41Å; L114-A119 HydrophobicContact CB-CB 4.11Å; L114-A119 HydrophobicContact CD1-CB 4.49Å
115T98.6Very high98.6Very high48 Ų4850 Ų5029%0.29425%0.254SS..  trans-68.2164.2164.160.40000111T117 E118 A119 E144T115-T117 PolarHBondContact O-N 3.41Å; T115-E118 WeakPolarHBondContact CB-OE2 3.48Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.18Å; T115-E118 PolarHBondContact N-OE2 3.16Å; T115-E118 PolarHBondContact O-N 3.14Å; T115-E118 WeakPolarHBondContact OG1-CB 3.2Å; T115-E118 VanDerWaalsContact OG1-CD 3.26Å; T115-E118 VanDerWaalsContact OG1-CG 3.22Å; T115-E118 WeakPolarHBondContact OG1-CG 3.22Å; T115-E118 PolarHBondContact OG1-N 2.9Å; T115-E118 PolarHBondContact OG1-OE2 3.38Å; T115-A119 VanDerWaalsContact O-CB 3.24Å; T115-A119 WeakPolarHBondContact O-CB 3.5Å; T115-A119 PolarHBondContact O-N 2.95Å; T115-E144 WeakPolarHBondContact CA-OE1 3.46Å; T115-E144 WeakPolarHBondContact CB-OE1 3.36Å
116L98.8Very high98.6Very high11 Ų1151.4 Ų51.46%0.05827%0.266CS..Hα-helixtrans-55.2-42.8174.5175.554.5000111.5I105 M109 S120 M137 L140 Q141 E144I105-L116 HydrophobicContact CG2-CD1 3.61Å; M109-L116 HydrophobicContact CE-CD1 4.43Å; M109-L116 WeakPolarHBondContact SD-CA 3.39Å; M109-L116 HydrophobicContact SD-CB 3.7Å; M109-L116 HydrophobicContact SD-CD1 3.98Å; M109-L116 HydrophobicContact SD-CG 4.44Å; L116-S120 WeakPolarHBondContact O-CB 3.24Å; L116-S120 PolarHBondContact O-N 2.86Å; L116-S120 PolarHBondContact O-OG 2.87Å; L116-M137 HydrophobicContact CD1-CE 4.4Å; L116-M137 HydrophobicContact CD2-CE 4.25Å; L116-L140 HydrophobicContact CD1-CB 3.7Å; L116-L140 HydrophobicContact CD1-CD1 4.05Å; L116-L140 HydrophobicContact CD1-CG 4.36Å; L116-L140 HydrophobicContact CD2-CB 4.24Å; L116-Q141 HydrophobicContact CD2-CB 4.34Å; L116-Q141 HydrophobicContact CD2-CG 3.49Å; L116-Q141 VanDerWaalsContact CD2-CG 3.49Å; L116-E144 WeakPolarHBondContact CB-OE2 3.07Å; L116-E144 PolarHBondContact N-OE1 2.62Å
117T98.6Very high98.5Very high111 Ų11152.2 Ų52.268%0.68127%0.269SS*.Hα-helixtrans-63.8-49.2179.3-59.90000111.6T115 S120 Q121T115-T117 PolarHBondContact O-N 3.41Å; T117-S120 PolarHBondContact O-N 3.41Å; T117-Q121 WeakPolarHBondContact O-CB 3.44Å; T117-Q121 PolarHBondContact O-N 3.32Å
118E98.8Very high98.4Very high102 Ų10258.2 Ų58.248%0.47730%0.297SS..Hα-helixtrans-65.1-42.8179.3-69.8165138.400112.1L114 T115 Q121 R122L114-E118 HydrophobicContact CB-CB 4.07Å; L114-E118 HydrophobicContact CD1-CB 4.4Å; L114-E118 HydrophobicContact CD2-CB 4.41Å; T115-E118 WeakPolarHBondContact CB-OE2 3.48Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.18Å; T115-E118 PolarHBondContact N-OE2 3.16Å; T115-E118 PolarHBondContact O-N 3.14Å; T115-E118 WeakPolarHBondContact OG1-CB 3.2Å; T115-E118 VanDerWaalsContact OG1-CD 3.26Å; T115-E118 VanDerWaalsContact OG1-CG 3.22Å; T115-E118 WeakPolarHBondContact OG1-CG 3.22Å; T115-E118 PolarHBondContact OG1-N 2.9Å; T115-E118 PolarHBondContact OG1-OE2 3.38Å; E118-Q121 PolarHBondContact O-N 2.96Å; E118-R122 WeakPolarHBondContact O-CB 3.16Å; E118-R122 PolarHBondContact O-N 3.28Å
119A98.8Very high98.3Very high0 Ų059.7 Ų59.70%031%0.306CS..Hα-helixtrans-63.6-45.1177.200000111.1I105 L108 M109 L114 T115 R122 V123I105-A119 HydrophobicContact CB-CB 4.48Å; I105-A119 HydrophobicContact CG2-CB 3.77Å; L108-A119 HydrophobicContact CB-CB 3.76Å; L108-A119 HydrophobicContact CD1-CB 4.19Å; M109-A119 HydrophobicContact CG-CB 3.82Å; L114-A119 HydrophobicContact CB-CB 4.11Å; L114-A119 HydrophobicContact CD1-CB 4.49Å; T115-A119 VanDerWaalsContact O-CB 3.24Å; T115-A119 WeakPolarHBondContact O-CB 3.5Å; T115-A119 PolarHBondContact O-N 2.95Å; A119-R122 PolarHBondContact O-N 2.71Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.11Å; A119-V123 VanDerWaalsContact O-N 3.07Å
120S98.8Very high98.2Very high28 Ų2859.9 Ų59.920%0.19631%0.307CS..Hα-helixtrans-60.3-46.9175.7-61.50000111.3L116 T117 R122 V123 K124L116-S120 WeakPolarHBondContact O-CB 3.24Å; L116-S120 PolarHBondContact O-N 2.86Å; L116-S120 PolarHBondContact O-OG 2.87Å; T117-S120 PolarHBondContact O-N 3.41Å; S120-R122 VanDerWaalsContact C-N 3.33Å; S120-R122 PolarHBondContact O-N 3.26Å; S120-V123 PolarHBondContact O-N 2.82Å; S120-K124 VanDerWaalsContact O-CB 3.26Å; S120-K124 WeakPolarHBondContact O-CB 3.48Å; S120-K124 PolarHBondContact O-N 3.18Å
121Q98.7Very high98.2Very high117 Ų11761.4 Ų61.455%0.54732%0.318SS..Hα-helixtrans-62.5-40.1178.5-174.657.231.400112T117 E118 K124 T125T117-Q121 WeakPolarHBondContact O-CB 3.44Å; T117-Q121 PolarHBondContact O-N 3.32Å; E118-Q121 PolarHBondContact O-N 2.96Å; Q121-K124 PolarHBondContact O-N 2.98Å; Q121-T125 PolarHBondContact NE2-OG1 3.36Å; Q121-T125 WeakPolarHBondContact O-CB 3.47Å; Q121-T125 PolarHBondContact O-N 3.2Å; Q121-T125 PolarHBondContact O-OG1 3.3Å
122R98.8Very high98.2Very high143 Ų14359.4 Ų59.454%0.5431%0.31SS..Hα-helixtrans-60.7-48.1176.1176.465.173.9150.53.3111.7V12 L108 E118 A119 S120 T125 A126V12-R122 HydrophobicContact CG1-CG 4.12Å; L108-R122 HydrophobicContact CD1-CB 3.99Å; L108-R122 HydrophobicContact CD1-CG 3.81Å; E118-R122 WeakPolarHBondContact O-CB 3.16Å; E118-R122 PolarHBondContact O-N 3.28Å; A119-R122 PolarHBondContact O-N 2.71Å; S120-R122 VanDerWaalsContact C-N 3.33Å; S120-R122 PolarHBondContact O-N 3.26Å; R122-T125 PolarHBondContact O-N 3.05Å; R122-A126 PolarHBondContact O-N 2.94Å
123V98.7Very high98.2Very high0 Ų055.1 Ų55.10%030%0.295CS..Hα-helixtrans-69-38.4-179.8-175.90000110.9V12 I18 A101 C104 I105 L108 A119 S120 A126 R127 V130V12-V123 HydrophobicContact CG1-CG2 3.93Å; I18-V123 HydrophobicContact CD1-CG1 3.94Å; A101-V123 HydrophobicContact CB-CG1 4.19Å; C104-V123 HydrophobicContact CB-CG1 4.23Å; C104-V123 HydrophobicContact CB-CG2 3.82Å; I105-V123 HydrophobicContact CG1-CB 4.29Å; I105-V123 HydrophobicContact CG1-CG2 3.87Å; L108-V123 HydrophobicContact CD1-CG2 3.65Å; A119-V123 WeakPolarHBondContact O-CG2 3.33Å; A119-V123 PolarHBondContact O-N 3.11Å; A119-V123 VanDerWaalsContact O-N 3.07Å; S120-V123 PolarHBondContact O-N 2.82Å; V123-A126 PolarHBondContact O-N 3.16Å; V123-R127 PolarHBondContact O-N 3.49Å; V123-V130 HydrophobicContact CG1-CG1 4.14Å; V123-V130 HydrophobicContact CG1-CG2 3.87Å
124K98.4Very high98.3Very high81 Ų8158 Ų5835%0.35231%0.307SS..Hα-helixtrans-63.7-38.7175.5-170.170.5163.6-1780112.7S120 Q121 R127 H128 V130S120-K124 VanDerWaalsContact O-CB 3.26Å; S120-K124 WeakPolarHBondContact O-CB 3.48Å; S120-K124 PolarHBondContact O-N 3.18Å; Q121-K124 PolarHBondContact O-N 2.98Å; K124-R127 CarbonylContact O-C 3.02Å; K124-R127 PolarHBondContact O-N 2.9Å; K124-H128 WeakPolarHBondContact CD-O 3.3Å; K124-H128 WeakPolarHBondContact CE-O 3.36Å; K124-H128 PolarHBondContact NZ-O 3.16Å; K124-H128 VanDerWaalsContact O-CA 3.31Å; K124-H128 WeakPolarHBondContact O-CA 3.23Å; K124-H128 PolarHBondContact O-N 3.36Å; K124-H128 VanDerWaalsContact O-N 3.11Å; K124-V130 HydrophobicContact CD-CB 4.05Å; K124-V130 VanDerWaalsContact CD-O 3.24Å; K124-V130 WeakPolarHBondContact CD-O 3.41Å; K124-V130 WeakPolarHBondContact CE-O 3.26Å; K124-V130 PolarHBondContact NZ-O 3.27Å
125T98.4Very high98.3Very high104 Ų10456.6 Ų56.664%0.63830%0.302SS*.Hα-helixtrans-63.9-42.2175.1-57.90000111Q121 R122 R127Q121-T125 PolarHBondContact NE2-OG1 3.36Å; Q121-T125 WeakPolarHBondContact O-CB 3.47Å; Q121-T125 PolarHBondContact O-N 3.2Å; Q121-T125 PolarHBondContact O-OG1 3.3Å; R122-T125 PolarHBondContact O-N 3.05Å; T125-R127 VanDerWaalsContact C-N 3.35Å
126A97.9Very high98.3Very high30 Ų3054.3 Ų54.325%0.24829%0.288CS..Hα-helixtrans-66.2-37.3174.500000112.2C10 K11 V12 R122 V123C10-A126 HydrophobicContact CB-CB 4.5Å; C10-A126 VanDerWaalsContact CB-O 3.3Å; C10-A126 WeakPolarHBondContact CB-O 3.18Å; K11-A126 VanDerWaalsContact O-CB 3.24Å; K11-A126 WeakPolarHBondContact O-CB 3.3Å; V12-A126 HydrophobicContact CG2-CB 4.03Å; R122-A126 PolarHBondContact O-N 2.94Å; V123-A126 PolarHBondContact O-N 3.16Å
127R97.8Very high98.3Very high17 Ų1756.4 Ų56.46%0.06430%0.298CS..  trans-144.498.1-177.4-173.9172.2179.984.1-1111.7C10 I18 N95 G96 V123 K124 T125 V129 V130C10-R127 HydrophobicContact CB-CB 4.02Å; I18-R127 HydrophobicContact CG2-CB 4.02Å; N95-R127 PolarHBondContact O-NH2 3.49Å; N95-R127 VanDerWaalsContact O-NH2 3.07Å; G96-R127 VanDerWaalsContact O-CD 3.22Å; G96-R127 WeakPolarHBondContact O-CD 3.5Å; G96-R127 PolarHBondContact O-NE 2.96Å; V123-R127 PolarHBondContact O-N 3.49Å; K124-R127 CarbonylContact O-C 3.02Å; K124-R127 PolarHBondContact O-N 2.9Å; T125-R127 VanDerWaalsContact C-N 3.35Å; R127-V129 HydrophobicContact CG-CG2 3.82Å; R127-V129 PolarHBondContact O-N 3.46Å; R127-V130 HydrophobicContact CB-CG2 3.86Å; R127-V130 HydrophobicContact CG-CG2 4.1Å; R127-V130 VanDerWaalsContact O-CB 3.29Å; R127-V130 WeakPolarHBondContact O-CB 3.05Å; R127-V130 WeakPolarHBondContact O-CG2 3.22Å; R127-V130 PolarHBondContact O-N 2.81Å
128H96.8Very high98.3Very high127 Ų12754.4 Ų54.459%0.58829%0.289SS*.THydrogen-bonded Turntrans-57.2-24.3-17367.3-90.8000115.6K124 V130K124-H128 WeakPolarHBondContact CD-O 3.3Å; K124-H128 WeakPolarHBondContact CE-O 3.36Å; K124-H128 PolarHBondContact NZ-O 3.16Å; K124-H128 VanDerWaalsContact O-CA 3.31Å; K124-H128 WeakPolarHBondContact O-CA 3.23Å; K124-H128 PolarHBondContact O-N 3.36Å; K124-H128 VanDerWaalsContact O-N 3.11Å; H128-V130 VanDerWaalsContact C-N 3.26Å; H128-V130 PolarHBondContact O-N 3.01Å
129V96.6Very high98.3Very high33 Ų3351 Ų5120%0.227%0.273CS..THydrogen-bonded Turntrans-78.5-6.2178.7-61.90000114.1R97 R127 D131R97-V129 WeakPolarHBondContact CD-O 3.44Å; R97-V129 WeakPolarHBondContact CG-O 3.21Å; R127-V129 HydrophobicContact CG-CG2 3.82Å; R127-V129 PolarHBondContact O-N 3.46Å; V129-D131 PolarHBondContact O-N 3.44Å
130V97.4Very high98.3Very high6 Ų651 Ų514%0.03627%0.273CS..  trans-57.6130.1-178.6162.50000111.1I18 R97 A101 V123 K124 R127 H128I18-V130 HydrophobicContact CD1-CG2 4.12Å; R97-V130 WeakPolarHBondContact O-CA 3.37Å; A101-V130 HydrophobicContact CB-CB 4.31Å; A101-V130 HydrophobicContact CB-CG1 3.52Å; A101-V130 HydrophobicContact CB-CG2 3.99Å; V123-V130 HydrophobicContact CG1-CG1 4.14Å; V123-V130 HydrophobicContact CG1-CG2 3.87Å; K124-V130 HydrophobicContact CD-CB 4.05Å; K124-V130 VanDerWaalsContact CD-O 3.24Å; K124-V130 WeakPolarHBondContact CD-O 3.41Å; K124-V130 WeakPolarHBondContact CE-O 3.26Å; K124-V130 PolarHBondContact NZ-O 3.27Å; R127-V130 HydrophobicContact CB-CG2 3.86Å; R127-V130 HydrophobicContact CG-CG2 4.1Å; R127-V130 VanDerWaalsContact O-CB 3.29Å; R127-V130 WeakPolarHBondContact O-CB 3.05Å; R127-V130 WeakPolarHBondContact O-CG2 3.22Å; R127-V130 PolarHBondContact O-N 2.81Å; H128-V130 VanDerWaalsContact C-N 3.26Å; H128-V130 PolarHBondContact O-N 3.01Å
131D98Very high98.3Very high79 Ų7954.3 Ų54.342%0.42229%0.286SS..  trans-167.785.1-176.9-16828.8000107.7R97 S98 V129R97-D131 HydrophobicContact CG-CB 4.01Å; R97-D131 IonicContact CZ-OD2 3.49Å; R97-D131 IonicContact NE-OD2 3.73Å; R97-D131 IonicContact NH2-OD2 2.64Å; R97-D131 PolarHBondContact NH2-OD2 3.38Å; R97-D131 CarbonylContact O-C 3.4Å; R97-D131 PolarHBondContact O-N 3.3Å; S98-D131 WeakPolarHBondContact CB-O 3.37Å; V129-D131 PolarHBondContact O-N 3.44Å
132P98.6Very high98.4Very high15 Ų1555.1 Ų55.110%0.09728%0.284CS..  trans-55.3142.3173.2-22.734.4000111.3A101 I105 F136 M137A101-P132 HydrophobicContact CB-CG 4.39Å; I105-P132 HydrophobicContact CD1-CG 3.92Å; P132-F136 HydrophobicContact CB-CB 4.36Å; P132-M137 HydrophobicContact CB-CG 3.99Å; P132-M137 HydrophobicContact CB-SD 3.72Å; P132-M137 HydrophobicContact CG-SD 3.82Å
133N98.8Very high98.4Very high22 Ų2248.4 Ų48.412%0.11826%0.258CS..  trans-63.5159.8174.37746.5000110.9D62 P64 S98 G135 F136 M137D62-N133 PolarHBondContact OD1-ND2 3.34Å; P64-N133 WeakPolarHBondContact CA-OD1 3.27Å; S98-N133 PolarHBondContact OG-N 3.06Å; N133-G135 VanDerWaalsContact C-N 3.32Å; N133-G135 PolarHBondContact O-N 2.96Å; N133-G135 PolarHBondContact OD1-N 3.17Å; N133-F136 WeakPolarHBondContact ND2-CD2 3.47Å; N133-F136 WeakPolarHBondContact ND2-CE2 3.29Å; N133-F136 PolarHBondContact O-N 3.23Å; N133-F136 VanDerWaalsContact O-N 3.16Å; N133-F136 PolarHBondContact OD1-N 3.25Å; N133-M137 PolarHBondContact O-N 2.92Å
134P98.7Very high98.3Very high101 Ų10150.1 Ų50.166%0.65627%0.266SS*.Hα-helixtrans-57.5-38.6-175.8-28.536.5000114.5F136 M137 S138P134-F136 PolarHBondContact O-N 3.46Å; P134-M137 WeakPolarHBondContact O-CB 3.26Å; P134-M137 PolarHBondContact O-N 2.87Å; P134-S138 PolarHBondContact O-N 3.39Å; P134-S138 PolarHBondContact O-OG 2.9Å
135G98.8Very high98.3Very high13 Ų1351.7 Ų51.713%0.13428%0.275CS..Hα-helixtrans-64.8-40.4178.500000112.6P64 N133 S138 Q139P64-G135 WeakPolarHBondContact O-CA 3.37Å; N133-G135 VanDerWaalsContact C-N 3.32Å; N133-G135 PolarHBondContact O-N 2.96Å; N133-G135 PolarHBondContact OD1-N 3.17Å; G135-S138 PolarHBondContact O-N 3.42Å; G135-Q139 WeakPolarHBondContact O-CG 3.11Å; G135-Q139 PolarHBondContact O-N 3.29Å
136F98.8Very high98.3Very high0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-68.6-33.9173.1-65.7-18.2000112.8E66 L68 S98 R99 T102 P132 N133 P134 Q139 L140E66-F136 HydrophobicContact CB-CE1 4.15Å; E66-F136 HydrophobicContact CB-CZ 4.31Å; E66-F136 WeakPolarHBondContact O-CE1 3.11Å; L68-F136 HydrophobicContact CB-CD1 3.95Å; L68-F136 HydrophobicContact CB-CE1 3.68Å; L68-F136 HydrophobicContact CB-CZ 4.28Å; L68-F136 HydrophobicContact CD2-CD1 4.34Å; L68-F136 HydrophobicContact CD2-CD2 4.29Å; L68-F136 HydrophobicContact CD2-CE1 4.19Å; L68-F136 HydrophobicContact CD2-CE2 4.16Å; L68-F136 HydrophobicContact CD2-CG 4.41Å; L68-F136 HydrophobicContact CD2-CZ 4.11Å; S98-F136 WeakPolarHBondContact OG-CD2 3.43Å; R99-F136 HydrophobicContact CB-CE2 4.37Å; R99-F136 HydrophobicContact CG-CE2 3.5Å; R99-F136 VanDerWaalsContact CG-CE2 3.5Å; R99-F136 HydrophobicContact CG-CZ 3.99Å; T102-F136 HydrophobicContact CG2-CB 3.84Å; T102-F136 HydrophobicContact CG2-CG 4.27Å; P132-F136 HydrophobicContact CB-CB 4.36Å; N133-F136 WeakPolarHBondContact ND2-CD2 3.47Å; N133-F136 WeakPolarHBondContact ND2-CE2 3.29Å; N133-F136 PolarHBondContact O-N 3.23Å; N133-F136 VanDerWaalsContact O-N 3.16Å; N133-F136 PolarHBondContact OD1-N 3.25Å; P134-F136 PolarHBondContact O-N 3.46Å; F136-Q139 PolarHBondContact O-N 3.11Å; F136-L140 WeakPolarHBondContact O-CG 3.3Å; F136-L140 PolarHBondContact O-N 3.19Å
137M98.8Very high98.3Very high55 Ų5548 Ų4827%0.27125%0.246SC..Hα-helixtrans-62.8-44.4172.3-73.6-56.8-61.200111.5L116 P132 N133 P134 Q139 L140 Q141L116-M137 HydrophobicContact CD1-CE 4.4Å; L116-M137 HydrophobicContact CD2-CE 4.25Å; P132-M137 HydrophobicContact CB-CG 3.99Å; P132-M137 HydrophobicContact CB-SD 3.72Å; P132-M137 HydrophobicContact CG-SD 3.82Å; N133-M137 PolarHBondContact O-N 2.92Å; P134-M137 WeakPolarHBondContact O-CB 3.26Å; P134-M137 PolarHBondContact O-N 2.87Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 3.5Å; M137-L140 WeakPolarHBondContact O-CB 3.49Å; M137-L140 PolarHBondContact O-N 3.33Å; M137-L140 VanDerWaalsContact O-N 3.16Å; M137-L140 HydrophobicContact SD-CD1 4.09Å; M137-Q141 WeakPolarHBondContact O-CG 3.37Å; M137-Q141 PolarHBondContact O-N 3.19Å
138S98.8Very high98.2Very high69 Ų6955.1 Ų55.148%0.48327%0.272SS..Hα-helixtrans-61.9-39.8174.5-60.20000112.5P134 G135 L140 Q141 R142P134-S138 PolarHBondContact O-N 3.39Å; P134-S138 PolarHBondContact O-OG 2.9Å; G135-S138 PolarHBondContact O-N 3.42Å; S138-L140 VanDerWaalsContact C-N 3.33Å; S138-L140 PolarHBondContact O-N 2.8Å; S138-Q141 PolarHBondContact O-N 3.29Å; S138-R142 PolarHBondContact O-N 3.44Å
139Q98.9Very high98.2Very high30 Ų3056.3 Ų56.314%0.1428%0.276CS..Hα-helixtrans-62.5-38.9173.8-72.3173.338.800112.2E66 Y69 F72 G135 F136 M137 Y143E66-Q139 PolarHBondContact O-NE2 2.9Å; Y69-Q139 HydrophobicContact CD2-CB 4.09Å; Y69-Q139 WeakPolarHBondContact CD2-O 3.49Å; Y69-Q139 WeakPolarHBondContact CE2-O 3.33Å; F72-Q139 HydrophobicContact CE2-CB 4.24Å; F72-Q139 HydrophobicContact CZ-CB 4.15Å; G135-Q139 WeakPolarHBondContact O-CG 3.11Å; G135-Q139 PolarHBondContact O-N 3.29Å; F136-Q139 PolarHBondContact O-N 3.11Å; M137-Q139 VanDerWaalsContact C-N 3.33Å; M137-Q139 PolarHBondContact O-N 3.5Å; Q139-Y143 WeakPolarHBondContact O-CB 3.38Å; Q139-Y143 PolarHBondContact O-N 2.93Å
140L98.9Very high98Very high0 Ų059.6 Ų59.60%029%0.285CS..Hα-helixtrans-68.1-39.4176-74.2166.8000112.8F72 T102 I105 A106 M109 L116 F136 M137 S138 Y143 E144F72-L140 HydrophobicContact CE2-CD2 3.92Å; F72-L140 HydrophobicContact CE2-CG 4.34Å; F72-L140 HydrophobicContact CZ-CD2 3.9Å; F72-L140 HydrophobicContact CZ-CG 4.15Å; T102-L140 HydrophobicContact CG2-CD1 3.81Å; T102-L140 HydrophobicContact CG2-CD2 4Å; T102-L140 HydrophobicContact CG2-CG 3.8Å; I105-L140 HydrophobicContact CB-CD1 4.24Å; I105-L140 HydrophobicContact CB-CD2 4.17Å; I105-L140 HydrophobicContact CD1-CD1 4.13Å; I105-L140 HydrophobicContact CG2-CD1 3.97Å; I105-L140 HydrophobicContact CG2-CD2 3.87Å; I105-L140 HydrophobicContact CG2-CG 4.5Å; A106-L140 HydrophobicContact CB-CD2 4.05Å; M109-L140 HydrophobicContact CE-CB 4.32Å; M109-L140 HydrophobicContact CE-CD2 3.64Å; L116-L140 HydrophobicContact CD1-CB 3.7Å; L116-L140 HydrophobicContact CD1-CD1 4.05Å; L116-L140 HydrophobicContact CD1-CG 4.36Å; L116-L140 HydrophobicContact CD2-CB 4.24Å; F136-L140 WeakPolarHBondContact O-CG 3.3Å; F136-L140 PolarHBondContact O-N 3.19Å; M137-L140 WeakPolarHBondContact O-CB 3.49Å; M137-L140 PolarHBondContact O-N 3.33Å; M137-L140 VanDerWaalsContact O-N 3.16Å; M137-L140 HydrophobicContact SD-CD1 4.09Å; S138-L140 VanDerWaalsContact C-N 3.33Å; S138-L140 PolarHBondContact O-N 2.8Å; L140-Y143 WeakPolarHBondContact O-CB 3.37Å; L140-Y143 PolarHBondContact O-N 2.91Å; L140-Y143 VanDerWaalsContact O-N 3.16Å; L140-E144 PolarHBondContact O-N 3.25Å
141Q98.8Very high97.6Very high99 Ų9964.6 Ų64.646%0.46330%0.303SS..Hα-helixtrans-59.7-49.3174.5-72169.8-29.900110.8L116 M137 S138 Y143 E144 E145L116-Q141 HydrophobicContact CD2-CB 4.34Å; L116-Q141 HydrophobicContact CD2-CG 3.49Å; L116-Q141 VanDerWaalsContact CD2-CG 3.49Å; M137-Q141 WeakPolarHBondContact O-CG 3.37Å; M137-Q141 PolarHBondContact O-N 3.19Å; S138-Q141 PolarHBondContact O-N 3.29Å; Q141-Y143 PolarHBondContact O-N 2.88Å; Q141-E144 PolarHBondContact O-N 3.41Å; Q141-E145 PolarHBondContact O-N 3.06Å; Q141-E145 VanDerWaalsContact O-N 3.16Å
142R98.8Very high96.6Very high134 Ų13464.1 Ų64.151%0.50632%0.317SS..Hα-helixtrans-55.7-42.5173177.3-175.9164.8-177.5-2111.6Y69 S138 E144 E145 E146Y69-R142 HydrophobicContact CE2-CB 4.32Å; Y69-R142 HydrophobicContact CE2-CG 4.05Å; S138-R142 PolarHBondContact O-N 3.44Å; R142-E144 PolarHBondContact O-N 3.23Å; R142-E145 PolarHBondContact O-N 3.34Å; R142-E146 IonicContact CZ-OE1 3.65Å; R142-E146 IonicContact NE-OE1 2.82Å; R142-E146 PolarHBondContact NE-OE1 2.87Å; R142-E146 IonicContact NH2-OE1 3.52Å; R142-E146 PolarHBondContact NH2-OE1 3.43Å; R142-E146 PolarHBondContact O-N 2.94Å
143Y98.8Very high94.9Very high1 Ų167.7 Ų67.70%0.00435%0.347CS..Hα-helixtrans-64.9-40.2-179.1-168.3-133.2000112.3Y69 F72 D73 A106 M109 K110 Q139 L140 Q141 E146 L147Y69-Y143 AromaticContact CE2-CD2 4Å; Y69-Y143 HydrophobicContact CE2-CD2 4Å; Y69-Y143 HydrophobicContact CE2-CG 4.22Å; Y69-Y143 AromaticContact CZ-CD2 3.98Å; F72-Y143 HydrophobicContact CB-CD1 4.41Å; F72-Y143 HydrophobicContact CB-CE1 4.13Å; F72-Y143 HydrophobicContact CB-CE2 4.24Å; F72-Y143 AromaticContact CD2-CD1 3.68Å; F72-Y143 HydrophobicContact CD2-CD1 3.68Å; F72-Y143 HydrophobicContact CD2-CD2 4.05Å; F72-Y143 HydrophobicContact CD2-CE1 4.24Å; F72-Y143 AromaticContact CD2-CG 3.6Å; F72-Y143 HydrophobicContact CD2-CG 3.6Å; F72-Y143 HydrophobicContact CE2-CD1 4.35Å; F72-Y143 HydrophobicContact CE2-CG 4.24Å; F72-Y143 HydrophobicContact CG-CD1 4.42Å; D73-Y143 PolarHBondContact OD1-OH 3.33Å; A106-Y143 HydrophobicContact CB-CD1 4.03Å; A106-Y143 HydrophobicContact CB-CE1 3.89Å; M109-Y143 HydrophobicContact CE-CD1 3.66Å; M109-Y143 HydrophobicContact CE-CG 4.47Å; K110-Y143 HydrophobicContact CB-CE1 4.36Å; K110-Y143 VanDerWaalsContact CD-OH 3.32Å; K110-Y143 WeakPolarHBondContact CD-OH 3.24Å; Q139-Y143 WeakPolarHBondContact O-CB 3.38Å; Q139-Y143 PolarHBondContact O-N 2.93Å; L140-Y143 WeakPolarHBondContact O-CB 3.37Å; L140-Y143 PolarHBondContact O-N 2.91Å; L140-Y143 VanDerWaalsContact O-N 3.16Å; Q141-Y143 PolarHBondContact O-N 2.88Å; Y143-E146 PolarHBondContact O-N 3.42Å; Y143-L147 HydrophobicContact CD1-CD1 3.87Å; Y143-L147 HydrophobicContact CD1-CG 4.43Å; Y143-L147 HydrophobicContact CD2-CG 4.35Å; Y143-L147 HydrophobicContact CE1-CD1 3.61Å; Y143-L147 HydrophobicContact CE1-CD2 4.5Å; Y143-L147 HydrophobicContact CE1-CG 4.19Å; Y143-L147 HydrophobicContact CE2-CD1 4.45Å; Y143-L147 HydrophobicContact CE2-CD2 4.17Å; Y143-L147 HydrophobicContact CE2-CG 4.13Å; Y143-L147 HydrophobicContact CG-CD1 4.36Å; Y143-L147 HydrophobicContact CG-CG 4.48Å; Y143-L147 WeakPolarHBondContact O-CB 3.4Å; Y143-L147 VanDerWaalsContact O-CG 3.28Å; Y143-L147 WeakPolarHBondContact O-CG 3.47Å; Y143-L147 PolarHBondContact O-N 2.74Å
144E98.6Very high92.6Very high37 Ų3774.1 Ų74.117%0.17339%0.394CS..Hα-helixtrans-60.3-44.8175-178.3175.1-135.300111.9M109 T115 L116 L140 Q141 R142 L147 R148M109-E144 HydrophobicContact SD-CB 4.04Å; T115-E144 WeakPolarHBondContact CA-OE1 3.46Å; T115-E144 WeakPolarHBondContact CB-OE1 3.36Å; L116-E144 WeakPolarHBondContact CB-OE2 3.07Å; L116-E144 PolarHBondContact N-OE1 2.62Å; L140-E144 PolarHBondContact O-N 3.25Å; Q141-E144 PolarHBondContact O-N 3.41Å; R142-E144 PolarHBondContact O-N 3.23Å; E144-L147 PolarHBondContact O-N 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.2Å; E144-R148 PolarHBondContact O-N 3.17Å
145E98.3Very high92.3Very high113 Ų11372.8 Ų72.853%0.52838%0.381SS..Hα-helixtrans-60.8-44.8175.8-67.6175.7-170.400112Q141 R142 R148 K149Q141-E145 PolarHBondContact O-N 3.06Å; Q141-E145 VanDerWaalsContact O-N 3.16Å; R142-E145 PolarHBondContact O-N 3.34Å; E145-R148 PolarHBondContact O-N 3.13Å; E145-K149 WeakPolarHBondContact O-CG 3.31Å; E145-K149 PolarHBondContact O-N 3.07Å; E145-K149 VanDerWaalsContact O-N 3.12Å
146E98.2Very high92Very high46 Ų4675.9 Ų75.922%0.21539%0.394CS..Hα-helixtrans-63.9-42.8176.5-74.6-170.2-158.200111.8Y69 R142 Y143 R148 K149 R150Y69-E146 PolarHBondContact OH-OE1 2.91Å; Y69-E146 PolarHBondContact OH-OE2 3.06Å; R142-E146 IonicContact CZ-OE1 3.65Å; R142-E146 IonicContact NE-OE1 2.82Å; R142-E146 PolarHBondContact NE-OE1 2.87Å; R142-E146 IonicContact NH2-OE1 3.52Å; R142-E146 PolarHBondContact NH2-OE1 3.43Å; R142-E146 PolarHBondContact O-N 2.94Å; Y143-E146 PolarHBondContact O-N 3.42Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 3.5Å; E146-K149 PolarHBondContact O-N 3.11Å; E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.4Å; E146-R150 IonicContact OE2-NH2 2.71Å; E146-R150 PolarHBondContact OE2-NH2 3.01Å
147L98Very high91.6Very high12 Ų1280.1 Ų80.16%0.06342%0.416CS..Hα-helixtrans-62.8-39.1176.7-73.6176000112.2M109 K110 Y143 E144 R150 R151M109-L147 HydrophobicContact CB-CD1 3.79Å; K110-L147 HydrophobicContact CB-CD1 4.24Å; K110-L147 HydrophobicContact CB-CD2 4.28Å; K110-L147 HydrophobicContact CG-CD2 4.06Å; Y143-L147 HydrophobicContact CD1-CD1 3.87Å; Y143-L147 HydrophobicContact CD1-CG 4.43Å; Y143-L147 HydrophobicContact CD2-CG 4.35Å; Y143-L147 HydrophobicContact CE1-CD1 3.61Å; Y143-L147 HydrophobicContact CE1-CD2 4.5Å; Y143-L147 HydrophobicContact CE1-CG 4.19Å; Y143-L147 HydrophobicContact CE2-CD1 4.45Å; Y143-L147 HydrophobicContact CE2-CD2 4.17Å; Y143-L147 HydrophobicContact CE2-CG 4.13Å; Y143-L147 HydrophobicContact CG-CD1 4.36Å; Y143-L147 HydrophobicContact CG-CG 4.48Å; Y143-L147 WeakPolarHBondContact O-CB 3.4Å; Y143-L147 VanDerWaalsContact O-CG 3.28Å; Y143-L147 WeakPolarHBondContact O-CG 3.47Å; Y143-L147 PolarHBondContact O-N 2.74Å; E144-L147 PolarHBondContact O-N 3.26Å; L147-R150 PolarHBondContact O-N 2.91Å; L147-R151 WeakPolarHBondContact O-CG 3.4Å; L147-R151 PolarHBondContact O-N 3.33Å
148R95.5Very high91.2Very high165 Ų16581.6 Ų81.662%0.62342%0.424SS*.Hα-helixtrans-59.8-45.7173.7-79.7175.6141.6171.8-4.6111.6E144 E145 E146 R151 G152E144-R148 WeakPolarHBondContact O-CG 3.2Å; E144-R148 PolarHBondContact O-N 3.17Å; E145-R148 PolarHBondContact O-N 3.13Å; E146-R148 VanDerWaalsContact C-N 3.34Å; E146-R148 PolarHBondContact O-N 3.5Å; R148-R151 PolarHBondContact O-N 3.01Å; R148-G152 PolarHBondContact O-N 2.68Å; R148-G152 VanDerWaalsContact O-N 3.1Å
149K95.6Very high90.7Very high152 Ų15282.4 Ų82.466%0.66142%0.42SS*.Hα-helixtrans-61.9-44176.2-68.8172-175.9173.40111.8E145 E146 R151 G152 A153E145-K149 WeakPolarHBondContact O-CG 3.31Å; E145-K149 PolarHBondContact O-N 3.07Å; E145-K149 VanDerWaalsContact O-N 3.12Å; E146-K149 PolarHBondContact O-N 3.11Å; K149-R151 VanDerWaalsContact C-N 3.3Å; K149-R151 PolarHBondContact O-N 2.76Å; K149-G152 PolarHBondContact O-N 2.85Å; K149-A153 WeakPolarHBondContact O-CB 3.24Å; K149-A153 PolarHBondContact O-N 2.83Å
150R93.8Very high90.2Very high102 Ų10285.9 Ų85.939%0.38544%0.439SS..Hα-helixtrans-60.4-38.1177.9-68.2172-160.7-168.15.2112.3D73 E146 L147 S154D73-R150 IonicContact OD1-NH1 3.03Å; D73-R150 PolarHBondContact OD1-NH1 2.87Å; D73-R150 IonicContact OD2-CZ 2.93Å; D73-R150 IonicContact OD2-NH1 3.05Å; D73-R150 PolarHBondContact OD2-NH1 2.95Å; D73-R150 IonicContact OD2-NH2 3.97Å; E146-R150 VanDerWaalsContact O-CG 3.29Å; E146-R150 WeakPolarHBondContact O-CG 3.47Å; E146-R150 PolarHBondContact O-N 3.4Å; E146-R150 IonicContact OE2-NH2 2.71Å; E146-R150 PolarHBondContact OE2-NH2 3.01Å; L147-R150 PolarHBondContact O-N 2.91Å; R150-S154 PolarHBondContact O-OG 3.41Å
151R89.1Confident89.6Confident112 Ų11292 Ų9242%0.42347%0.47SS..Hα-helixtrans-72.5-35.6177.9-71.4172.4-177162.98.3113.7M109 K110 G113 L147 R148 K149 A153M109-R151 PolarHBondContact O-NH2 3.28Å; K110-R151 PolarHBondContact O-NH2 3.31Å; G113-R151 PolarHBondContact O-NH1 2.64Å; L147-R151 WeakPolarHBondContact O-CG 3.4Å; L147-R151 PolarHBondContact O-N 3.33Å; R148-R151 PolarHBondContact O-N 3.01Å; K149-R151 VanDerWaalsContact C-N 3.3Å; K149-R151 PolarHBondContact O-N 2.76Å; R151-A153 VanDerWaalsContact C-N 3.29Å
152G75.9Confident88.8Confident69 Ų6991.5 Ų91.571%0.71147%0.471SS*.Hα-helixtrans-78.7-11.8177.800000114.3R148 K149R148-G152 PolarHBondContact O-N 2.68Å; R148-G152 VanDerWaalsContact O-N 3.1Å; K149-G152 PolarHBondContact O-N 2.85Å
153A63.3Low88Confident89 Ų8987.9 Ų87.974%0.73647%0.468SS*.THydrogen-bonded Turntrans-96.53.3176.800000113.5K149 R151K149-A153 WeakPolarHBondContact O-CB 3.24Å; K149-A153 PolarHBondContact O-N 2.83Å; R151-A153 VanDerWaalsContact C-N 3.29Å
154S51.3Low87Confident157 Ų15795.8 Ų95.8100%1.09851%0.51SS*.  trans-107.90174.4-560000110R150R150-S154 PolarHBondContact O-OG 3.41Å

Retrieved 154 of 154 residues in 49.5 ms (Link to these results)

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