A0A087YC40_POEFO Loading...

Si:dkey-193c22.1

AlphaFold DB , UniProt , Accession A0A087YC40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.6Very low46.9Very low245 Ų245142.9 Ų142.9100%1.20774%0.736SS**  099.30-83.3175.8165.500108.5N3M1-N3 PolarHBondContact O-N 3.46Å
2L35.4Very low48.4Very low170 Ų170137.3 Ų137.389%0.8971%0.713SS**  trans-72.8118.9178-99107.2000110I4L2-I4 PolarHBondContact O-N 2.62Å
3N42.8Very low49.7Very low143 Ų143132.1 Ų132.177%0.76569%0.686SS**  trans-82.193.4-179.7-159.3-5.8000109.3M1 K5M1-N3 PolarHBondContact O-N 3.46Å; N3-K5 VanDerWaalsContact C-N 3.32Å; N3-K5 PolarHBondContact O-N 3.14Å; N3-K5 VanDerWaalsContact O-N 3.08Å
4I41.7Very low50.8Low126 Ų126127.4 Ų127.465%0.64667%0.665SS**  trans-81.780.7175-57.4175.2000108.2L2 K6L2-I4 PolarHBondContact O-N 2.62Å; I4-K6 HydrophobicContact CG2-CB 4.11Å; I4-K6 HydrophobicContact CG2-CD 4.09Å; I4-K6 HydrophobicContact CG2-CG 3.64Å; I4-K6 PolarHBondContact O-N 3.05Å
5K45.1Very low51.7Low180 Ų180121.1 Ų121.178%0.78364%0.643SS**  trans-73.286.5153.5-82.8-172.9177.1-179.20107.2N3 C7N3-K5 VanDerWaalsContact C-N 3.32Å; N3-K5 PolarHBondContact O-N 3.14Å; N3-K5 VanDerWaalsContact O-N 3.08Å; K5-C7 PolarHBondContact O-N 3.31Å
6K50.9Low52.7Low154 Ų154120.9 Ų120.967%0.6764%0.636SS**  trans-67.879.5166.9-104175.3-178-179.40108.2I4 W8I4-K6 HydrophobicContact CG2-CB 4.11Å; I4-K6 HydrophobicContact CG2-CD 4.09Å; I4-K6 HydrophobicContact CG2-CG 3.64Å; I4-K6 PolarHBondContact O-N 3.05Å; K6-W8 PolarHBondContact O-N 2.97Å
7C46.4Very low53.6Low122 Ų122118.8 Ų118.882%0.82462%0.624SS**  trans-67.691.9156.6-91.30000106.2K5 C9K5-C7 PolarHBondContact O-N 3.31Å; C7-C9 PolarHBondContact O-N 3.13Å
8W45.6Very low54.2Low128 Ų128116.2 Ų116.249%0.48561%0.608SS.*  trans-59.4114.1163.9-7270.1000106.2K6 L10 V12 I13K6-W8 PolarHBondContact O-N 2.97Å; W8-L10 PolarHBondContact O-N 3.41Å; W8-V12 HydrophobicContact CD2-CG1 4.47Å; W8-V12 HydrophobicContact CE3-CB 4.03Å; W8-V12 HydrophobicContact CE3-CG1 3.36Å; W8-V12 HydrophobicContact CZ3-CG1 3.56Å; W8-I13 HydrophobicContact CB-CD1 3.73Å; W8-I13 HydrophobicContact CB-CG1 3.35Å; W8-I13 HydrophobicContact CG-CG1 4.3Å; W8-I13 WeakPolarHBondContact O-CD1 3.23Å
9C58.7Low54.8Low82 Ų82113.9 Ų113.955%0.55460%0.599SS**  trans-56.9137.8175.5-163.70000107.3C7 P11 V12 I13C7-C9 PolarHBondContact O-N 3.13Å; C9-P11 WeakPolarHBondContact O-CD 3.27Å; C9-P11 WeakPolarHBondContact SG-CD 3.25Å; C9-V12 HydrophobicContact CB-CG2 4.23Å; C9-V12 WeakPolarHBondContact O-CA 3.38Å; C9-V12 WeakPolarHBondContact O-CB 3.22Å; C9-V12 PolarHBondContact O-N 3.3Å; C9-I13 PolarHBondContact O-N 2.99Å
10L52.6Low55.6Low132 Ų132109.5 Ų109.569%0.69158%0.581SS**Hα-helixtrans-42.9-39.8-179-168.771.9000113.4W8 V12 I13 V14W8-L10 PolarHBondContact O-N 3.41Å; L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 PolarHBondContact O-N 3.47Å; L10-I13 PolarHBondContact O-N 3.18Å; L10-V14 HydrophobicContact CG-CG2 4.38Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.38Å; L10-V14 PolarHBondContact O-N 3.42Å
11P59.3Low56.4Low90 Ų90108.1 Ų108.158%0.58457%0.574SS**Hα-helixtrans-62.4-32.4175.4-21.634.9000114.6C9 G15C9-P11 WeakPolarHBondContact O-CD 3.27Å; C9-P11 WeakPolarHBondContact SG-CD 3.25Å; P11-G15 PolarHBondContact O-N 3.44Å
12V64.4Low57.9Low75 Ų7598.2 Ų98.246%0.45553%0.528SS..Hα-helixtrans-76.6-38.5179.1-169.10000110.5W8 C9 L10 G15 F16W8-V12 HydrophobicContact CD2-CG1 4.47Å; W8-V12 HydrophobicContact CE3-CB 4.03Å; W8-V12 HydrophobicContact CE3-CG1 3.36Å; W8-V12 HydrophobicContact CZ3-CG1 3.56Å; C9-V12 HydrophobicContact CB-CG2 4.23Å; C9-V12 WeakPolarHBondContact O-CA 3.38Å; C9-V12 WeakPolarHBondContact O-CB 3.22Å; C9-V12 PolarHBondContact O-N 3.3Å; L10-V12 VanDerWaalsContact C-N 3.33Å; L10-V12 PolarHBondContact O-N 3.47Å; V12-G15 PolarHBondContact O-N 2.97Å; V12-F16 WeakPolarHBondContact O-CB 3.35Å; V12-F16 PolarHBondContact O-N 3.44Å
13I65.6Low59.6Low70 Ų7093.1 Ų93.136%0.35950%0.498SS..Hα-helixtrans-64.4-45.3173.1-57.8-178.5000110W8 C9 L10 F16 L17W8-I13 HydrophobicContact CB-CD1 3.73Å; W8-I13 HydrophobicContact CB-CG1 3.35Å; W8-I13 HydrophobicContact CG-CG1 4.3Å; W8-I13 WeakPolarHBondContact O-CD1 3.23Å; C9-I13 PolarHBondContact O-N 2.99Å; L10-I13 PolarHBondContact O-N 3.18Å; I13-F16 PolarHBondContact O-N 3.19Å; I13-L17 HydrophobicContact CG2-CD1 3.79Å; I13-L17 WeakPolarHBondContact O-CB 3.38Å; I13-L17 PolarHBondContact O-N 3.37Å
14V65.2Low61.1Low66 Ų6692.6 Ų92.640%0.449%0.489SS..Hα-helixtrans-61.9-46.9175.8169.60000110.2L10 F16 L17 F18L10-V14 HydrophobicContact CG-CG2 4.38Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.38Å; L10-V14 PolarHBondContact O-N 3.42Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 3.33Å; V14-L17 PolarHBondContact O-N 3.39Å; V14-F18 HydrophobicContact CB-CD2 4.31Å; V14-F18 HydrophobicContact CG1-CD2 3.67Å; V14-F18 HydrophobicContact CG1-CE2 4.14Å; V14-F18 WeakPolarHBondContact O-CB 3.45Å; V14-F18 WeakPolarHBondContact O-CD2 3.37Å; V14-F18 PolarHBondContact O-N 3.06Å
15G64.8Low62.5Low33 Ų3390.9 Ų90.934%0.3448%0.484SS..Hα-helixtrans-59.6-41.2175.400000113P11 V12 V19 G20P11-G15 PolarHBondContact O-N 3.44Å; V12-G15 PolarHBondContact O-N 2.97Å; G15-V19 WeakPolarHBondContact O-CA 3.45Å; G15-V19 VanDerWaalsContact O-CB 3.25Å; G15-V19 WeakPolarHBondContact O-CB 3.19Å; G15-V19 PolarHBondContact O-N 3.17Å; G15-G20 PolarHBondContact O-N 3.32Å; G15-G20 VanDerWaalsContact O-N 3.15Å
16F67.6Low63.6Low118 Ų11884.1 Ų84.152%0.51846%0.459SS..Iπ-helixtrans-69.2-43.6176.9-174.4-97.2000112.5V12 I13 V14 G20 L21V12-F16 WeakPolarHBondContact O-CB 3.35Å; V12-F16 PolarHBondContact O-N 3.44Å; I13-F16 PolarHBondContact O-N 3.19Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 3.33Å; F16-G20 CarbonylContact O-C 3.57Å; F16-G20 WeakPolarHBondContact O-CA 3.36Å; F16-G20 PolarHBondContact O-N 2.7Å; F16-L21 PolarHBondContact O-N 2.68Å
17L66.9Low64.4Low85 Ų8582.1 Ų82.145%0.44545%0.45SS..Iπ-helixtrans-68.7-39.6-180-82.1165.4000113.1I13 V14 L21 P22I13-L17 HydrophobicContact CG2-CD1 3.79Å; I13-L17 WeakPolarHBondContact O-CB 3.38Å; I13-L17 PolarHBondContact O-N 3.37Å; V14-L17 PolarHBondContact O-N 3.39Å; L17-L21 HydrophobicContact CD2-CD2 4.45Å; L17-P22 WeakPolarHBondContact O-CD 3.48Å
18F64.4Low65.6Low73 Ų7378.5 Ų78.532%0.3243%0.425SS..Iπ-helixtrans-99.3-15-171.7-67.1-63.7000113.9V14 T57 L61V14-F18 HydrophobicContact CB-CD2 4.31Å; V14-F18 HydrophobicContact CG1-CD2 3.67Å; V14-F18 HydrophobicContact CG1-CE2 4.14Å; V14-F18 WeakPolarHBondContact O-CB 3.45Å; V14-F18 WeakPolarHBondContact O-CD2 3.37Å; V14-F18 PolarHBondContact O-N 3.06Å; F18-T57 HydrophobicContact CB-CG2 3.8Å; F18-T57 HydrophobicContact CD1-CG2 3.65Å; F18-T57 HydrophobicContact CG-CG2 4.17Å; F18-T57 WeakPolarHBondContact O-CG2 3.39Å; F18-T57 PolarHBondContact O-OG1 3.4Å; F18-L61 HydrophobicContact CD1-CD1 3.79Å; F18-L61 HydrophobicContact CD1-CD2 4.11Å; F18-L61 HydrophobicContact CD1-CG 4.04Å; F18-L61 HydrophobicContact CE1-CD1 3.8Å; F18-L61 HydrophobicContact CE1-CD2 3.28Å; F18-L61 HydrophobicContact CE1-CG 3.71Å; F18-L61 HydrophobicContact CG-CD1 4.32Å; F18-L61 HydrophobicContact CZ-CD1 4.31Å; F18-L61 HydrophobicContact CZ-CD2 3.63Å; F18-L61 HydrophobicContact CZ-CG 4.4Å
19V66.2Low66.5Low72 Ų7274.6 Ų74.644%0.43642%0.419SS..Iπ-helixtrans-120.8-55174.7-1720000109.7G15 L21 P22 Y23G15-V19 WeakPolarHBondContact O-CA 3.45Å; G15-V19 VanDerWaalsContact O-CB 3.25Å; G15-V19 WeakPolarHBondContact O-CB 3.19Å; G15-V19 PolarHBondContact O-N 3.17Å; V19-L21 PolarHBondContact O-N 3.09Å; V19-P22 WeakPolarHBondContact O-CD 3.29Å; V19-Y23 HydrophobicContact CG1-CD2 3.82Å; V19-Y23 HydrophobicContact CG1-CE2 3.96Å; V19-Y23 WeakPolarHBondContact O-CB 3.43Å; V19-Y23 VanDerWaalsContact O-CD2 3.25Å; V19-Y23 WeakPolarHBondContact O-CD2 3.15Å; V19-Y23 PolarHBondContact O-N 3.05Å
20G69.9Low66.8Low25 Ų2571.9 Ų71.926%0.25840%0.399SS..Iπ-helixtrans-58.6-48.5-176.100000114.4G15 F16 Y23 F24G15-G20 PolarHBondContact O-N 3.32Å; G15-G20 VanDerWaalsContact O-N 3.15Å; F16-G20 CarbonylContact O-C 3.57Å; F16-G20 WeakPolarHBondContact O-CA 3.36Å; F16-G20 PolarHBondContact O-N 2.7Å; G20-Y23 PolarHBondContact O-N 3.43Å; G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3Å
21L73Confident67.4Low81 Ų8173.9 Ų73.942%0.42440%0.397SS..Hα-helixtrans-69.1-46.4-175.2-175.172.9000113F16 L17 V19 Y23 F24 V25F16-L21 PolarHBondContact O-N 2.68Å; L17-L21 HydrophobicContact CD2-CD2 4.45Å; V19-L21 PolarHBondContact O-N 3.09Å; L21-Y23 VanDerWaalsContact C-N 3.33Å; L21-Y23 PolarHBondContact O-N 3.16Å; L21-F24 PolarHBondContact O-N 2.85Å; L21-V25 WeakPolarHBondContact O-CG2 3.49Å; L21-V25 PolarHBondContact O-N 3.35Å
22P70.1Confident67.7Low38 Ų3877.7 Ų77.725%0.24741%0.405CS..Hα-helixtrans-58.3-42.9172.5-26.234.2000113L17 V19 V25 C26 I53L17-P22 WeakPolarHBondContact O-CD 3.48Å; V19-P22 WeakPolarHBondContact O-CD 3.29Å; P22-V25 PolarHBondContact O-N 3.13Å; P22-C26 WeakPolarHBondContact O-CB 3.47Å; P22-C26 PolarHBondContact O-N 3.19Å; P22-C26 PolarHBondContact O-SG 3.39Å; P22-I53 HydrophobicContact CB-CG2 3.93Å
23Y69.5Low67.3Low63 Ų6377.1 Ų77.125%0.24740%0.403CS..Hα-helixtrans-62.2-43176.4-96.9-81.1000112.4V19 G20 L21 C26 F27 L48 P50 I53V19-Y23 HydrophobicContact CG1-CD2 3.82Å; V19-Y23 HydrophobicContact CG1-CE2 3.96Å; V19-Y23 WeakPolarHBondContact O-CB 3.43Å; V19-Y23 VanDerWaalsContact O-CD2 3.25Å; V19-Y23 WeakPolarHBondContact O-CD2 3.15Å; V19-Y23 PolarHBondContact O-N 3.05Å; G20-Y23 PolarHBondContact O-N 3.43Å; L21-Y23 VanDerWaalsContact C-N 3.33Å; L21-Y23 PolarHBondContact O-N 3.16Å; Y23-C26 PolarHBondContact O-N 3.5Å; Y23-F27 VanDerWaalsContact O-CB 3.26Å; Y23-F27 WeakPolarHBondContact O-CB 3.48Å; Y23-F27 PolarHBondContact O-N 3.27Å; Y23-L48 HydrophobicContact CD1-CD2 4.13Å; Y23-L48 HydrophobicContact CE1-CD2 4.37Å; Y23-L48 WeakPolarHBondContact CE1-O 3.36Å; Y23-L48 PolarHBondContact OH-O 2.8Å; Y23-L48 VanDerWaalsContact OH-O 3.04Å; Y23-P50 WeakPolarHBondContact OH-CA 3.32Å; Y23-P50 VanDerWaalsContact OH-CB 3.23Å; Y23-P50 WeakPolarHBondContact OH-CB 3.27Å; Y23-P50 WeakPolarHBondContact OH-CD 3.39Å; Y23-P50 WeakPolarHBondContact OH-CG 3.44Å; Y23-I53 HydrophobicContact CD1-CD1 3.65Å; Y23-I53 HydrophobicContact CD2-CB 4.39Å; Y23-I53 HydrophobicContact CD2-CD1 3.66Å; Y23-I53 HydrophobicContact CD2-CG2 3.79Å; Y23-I53 HydrophobicContact CE1-CD1 3.41Å; Y23-I53 VanDerWaalsContact CE1-CD1 3.41Å; Y23-I53 HydrophobicContact CE2-CB 3.87Å; Y23-I53 HydrophobicContact CE2-CD1 3.43Å; Y23-I53 VanDerWaalsContact CE2-CD1 3.43Å; Y23-I53 HydrophobicContact CE2-CG1 4.23Å; Y23-I53 HydrophobicContact CE2-CG2 3.69Å; Y23-I53 HydrophobicContact CG-CD1 3.78Å
24F75.8Confident66.8Low132 Ų13275 Ų7558%0.57940%0.398SS*.Hα-helixtrans-62-45.9176.7-179.7-102.1000111.3G20 L21 C26 F27 V28G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3Å; L21-F24 PolarHBondContact O-N 2.85Å; F24-C26 PolarHBondContact O-N 2.82Å; F24-F27 PolarHBondContact O-N 3.31Å; F24-V28 HydrophobicContact CD1-CG2 4.22Å; F24-V28 HydrophobicContact CD2-CG2 4.26Å; F24-V28 HydrophobicContact CE1-CG2 3.87Å; F24-V28 HydrophobicContact CE2-CG2 3.9Å; F24-V28 HydrophobicContact CG-CG2 4.41Å; F24-V28 HydrophobicContact CZ-CG2 3.7Å; F24-V28 WeakPolarHBondContact O-CB 3.46Å; F24-V28 VanDerWaalsContact O-CG2 3.23Å; F24-V28 WeakPolarHBondContact O-CG2 3.4Å; F24-V28 PolarHBondContact O-N 2.84Å
25V70.9Confident66.3Low89 Ų8980.1 Ų80.154%0.53941%0.411SS..Hα-helixtrans-61.5-44.7176.7173.20000111.3L21 P22 A29L21-V25 WeakPolarHBondContact O-CG2 3.49Å; L21-V25 PolarHBondContact O-N 3.35Å; P22-V25 PolarHBondContact O-N 3.13Å; V25-A29 VanDerWaalsContact O-CB 3.29Å; V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 3Å
26C66.6Low65.8Low39 Ų3980.2 Ų80.226%0.26441%0.405SS..Hα-helixtrans-63.2-43.1176.1-74.10000112.4P22 Y23 F24 A29 Q30 L48P22-C26 WeakPolarHBondContact O-CB 3.47Å; P22-C26 PolarHBondContact O-N 3.19Å; P22-C26 PolarHBondContact O-SG 3.39Å; Y23-C26 PolarHBondContact O-N 3.5Å; F24-C26 PolarHBondContact O-N 2.82Å; C26-A29 PolarHBondContact O-N 2.81Å; C26-Q30 WeakPolarHBondContact O-CB 3.42Å; C26-Q30 PolarHBondContact O-N 3.02Å; C26-L48 HydrophobicContact CB-CD2 3.72Å
27F67.9Low65.2Low111 Ų11181.7 Ų81.749%0.48742%0.419SS..Hα-helixtrans-64.5-44.7178.7-173.6-93.8000111.7Y23 F24 Q30 W31Y23-F27 VanDerWaalsContact O-CB 3.26Å; Y23-F27 WeakPolarHBondContact O-CB 3.48Å; Y23-F27 PolarHBondContact O-N 3.27Å; F24-F27 PolarHBondContact O-N 3.31Å; F27-Q30 PolarHBondContact O-N 2.65Å; F27-W31 WeakPolarHBondContact O-CB 3.41Å; F27-W31 PolarHBondContact O-N 3.32Å
28V72.5Confident64.5Low47 Ų4784.7 Ų84.729%0.28543%0.428SS..Hα-helixtrans-63.5-45.7175.9171.10000110.8F24 Q30 W31 F32F24-V28 HydrophobicContact CD1-CG2 4.22Å; F24-V28 HydrophobicContact CD2-CG2 4.26Å; F24-V28 HydrophobicContact CE1-CG2 3.87Å; F24-V28 HydrophobicContact CE2-CG2 3.9Å; F24-V28 HydrophobicContact CG-CG2 4.41Å; F24-V28 HydrophobicContact CZ-CG2 3.7Å; F24-V28 WeakPolarHBondContact O-CB 3.46Å; F24-V28 VanDerWaalsContact O-CG2 3.23Å; F24-V28 WeakPolarHBondContact O-CG2 3.4Å; F24-V28 PolarHBondContact O-N 2.84Å; V28-Q30 VanDerWaalsContact C-N 3.3Å; V28-Q30 PolarHBondContact O-N 3.04Å; V28-W31 WeakPolarHBondContact O-CB 3.41Å; V28-W31 PolarHBondContact O-N 3.23Å; V28-W31 VanDerWaalsContact O-N 3.17Å; V28-F32 HydrophobicContact CG1-CD2 3.62Å; V28-F32 HydrophobicContact CG1-CE2 3.51Å; V28-F32 VanDerWaalsContact O-CD2 3.22Å; V28-F32 WeakPolarHBondContact O-CD2 3.47Å; V28-F32 PolarHBondContact O-N 3.23Å
29A64.6Low63.8Low45 Ų4587.9 Ų87.937%0.37246%0.456SS..Hα-helixtrans-59.8-40.7175.700000112V25 C26 F32 C33V25-A29 VanDerWaalsContact O-CB 3.29Å; V25-A29 WeakPolarHBondContact O-CB 3.43Å; V25-A29 PolarHBondContact O-N 3Å; C26-A29 PolarHBondContact O-N 2.81Å; A29-F32 PolarHBondContact O-N 3.05Å; A29-C33 VanDerWaalsContact O-CB 3.3Å; A29-C33 WeakPolarHBondContact O-CB 3.44Å; A29-C33 PolarHBondContact O-N 3.38Å; A29-C33 PolarHBondContact O-SG 2.75Å
30Q64.9Low63.3Low26 Ų2687.2 Ų87.212%0.12146%0.464CS..Hα-helixtrans-65.8-39.2175.7-173.6165.4-18.800112.1C26 F27 V28 C33 G34C26-Q30 WeakPolarHBondContact O-CB 3.42Å; C26-Q30 PolarHBondContact O-N 3.02Å; F27-Q30 PolarHBondContact O-N 2.65Å; V28-Q30 VanDerWaalsContact C-N 3.3Å; V28-Q30 PolarHBondContact O-N 3.04Å; Q30-C33 CarbonylContact O-C 3.41Å; Q30-C33 PolarHBondContact O-N 3.2Å; Q30-G34 PolarHBondContact O-N 3.49Å; Q30-G34 VanDerWaalsContact O-O 3.11Å
31W66.1Low62.7Low174 Ų17487.5 Ų87.566%0.65946%0.457SS*.Hα-helixtrans-61.6-46.3174.7-170.2-90.7000112.3F27 V28 C33 G34 W35F27-W31 WeakPolarHBondContact O-CB 3.41Å; F27-W31 PolarHBondContact O-N 3.32Å; V28-W31 WeakPolarHBondContact O-CB 3.41Å; V28-W31 PolarHBondContact O-N 3.23Å; V28-W31 VanDerWaalsContact O-N 3.17Å; W31-C33 VanDerWaalsContact C-N 3.28Å; W31-C33 PolarHBondContact O-N 3.04Å; W31-G34 PolarHBondContact O-N 3.11Å; W31-W35 HydrophobicContact CE3-CZ3 4.24Å; W31-W35 AromaticContact CZ3-CZ3 3.95Å; W31-W35 HydrophobicContact CZ3-CZ3 3.95Å
32F64.3Low61.8Low170 Ų17092.1 Ų92.175%0.74647%0.474SS*.Hα-helixtrans-66-31.1176.1-82.2-71.5000112.9V28 A29V28-F32 HydrophobicContact CG1-CD2 3.62Å; V28-F32 HydrophobicContact CG1-CE2 3.51Å; V28-F32 VanDerWaalsContact O-CD2 3.22Å; V28-F32 WeakPolarHBondContact O-CD2 3.47Å; V28-F32 PolarHBondContact O-N 3.23Å; A29-F32 PolarHBondContact O-N 3.05Å
33C57Low61Low62 Ų6297.8 Ų97.842%0.41950%0.495SS..Hα-helixtrans-89.5-12.6-178.9-67.20000114.3A29 Q30 W31 Y41 Y44A29-C33 VanDerWaalsContact O-CB 3.3Å; A29-C33 WeakPolarHBondContact O-CB 3.44Å; A29-C33 PolarHBondContact O-N 3.38Å; A29-C33 PolarHBondContact O-SG 2.75Å; Q30-C33 CarbonylContact O-C 3.41Å; Q30-C33 PolarHBondContact O-N 3.2Å; W31-C33 VanDerWaalsContact C-N 3.28Å; W31-C33 PolarHBondContact O-N 3.04Å; C33-Y41 VanDerWaalsContact O-CZ 3.3Å; C33-Y41 PolarHBondContact O-OH 3.28Å; C33-Y44 HydrophobicContact CB-CE1 4.46Å
34G54.9Low60.3Low25 Ų2599 Ų9926%0.25850%0.5SS..  trans109169.9172.500000116.3Q30 W31 Y41Q30-G34 PolarHBondContact O-N 3.49Å; Q30-G34 VanDerWaalsContact O-O 3.11Å; W31-G34 PolarHBondContact O-N 3.11Å; G34-Y41 WeakPolarHBondContact CA-OH 3.15Å; G34-Y41 WeakPolarHBondContact O-CE1 3.27Å
35W53.2Low59.5Low175 Ų17597 Ų9766%0.66349%0.494SS*.  trans-84.7154.6-173.7-152.1-106.4000112.5W31 D37W31-W35 HydrophobicContact CE3-CZ3 4.24Å; W31-W35 AromaticContact CZ3-CZ3 3.95Å; W31-W35 HydrophobicContact CZ3-CZ3 3.95Å; W35-D37 VanDerWaalsContact C-N 3.34Å; W35-D37 PolarHBondContact O-N 3.21Å
36P54.2Low59Low35 Ų3595.9 Ų95.923%0.22748%0.483CS..THydrogen-bonded Turntrans-74.71.1-153.47.82.3000118.5K38 Y41 I45P36-K38 VanDerWaalsContact C-N 3.27Å; P36-K38 PolarHBondContact O-N 3.07Å; P36-Y41 WeakPolarHBondContact O-CB 3.39Å; P36-I45 HydrophobicContact CB-CD1 3.71Å; P36-I45 HydrophobicContact CB-CG1 4.19Å; P36-I45 HydrophobicContact CG-CD1 4.41Å
37D55.8Low58.7Low149 Ų14996 Ų9680%0.79749%0.487SS*.THydrogen-bonded Turntrans-84.39.3-169.6-62.5-41.9000114.9W35W35-D37 VanDerWaalsContact C-N 3.34Å; W35-D37 PolarHBondContact O-N 3.21Å
38K52.7Low58.7Low147 Ų14792.9 Ų92.964%0.63948%0.475SS*.SBendtrans-102.1148175.4-66.6179.4-179.8179.70112.5P36 G40 Y41P36-K38 VanDerWaalsContact C-N 3.27Å; P36-K38 PolarHBondContact O-N 3.07Å; K38-G40 PolarHBondContact O-N 2.76Å; K38-Y41 HydrophobicContact CB-CD2 3.62Å; K38-Y41 HydrophobicContact CB-CE2 3.62Å; K38-Y41 HydrophobicContact CD-CE2 4.17Å; K38-Y41 HydrophobicContact CG-CE2 4.32Å; K38-Y41 WeakPolarHBondContact O-CD2 3.48Å; K38-Y41 PolarHBondContact O-N 2.93Å
39P49.7Very low58.8Low140 Ų14093.6 Ų93.691%0.90948%0.477SS*.THydrogen-bonded Turntrans-57.6125.2173.1-17.528.6000110.6
40G56Low59.3Low59 Ų5995.6 Ų95.661%0.60849%0.486SS*.THydrogen-bonded Turntrans110.9-13.8-17500000115.1K38K38-G40 PolarHBondContact O-N 2.76Å
41Y57.1Low59.9Low30 Ų30103.7 Ų103.712%0.11852%0.516CS..THydrogen-bonded Turntrans-81.6-15.5-178-85.5-92.6000116.5C33 G34 P36 K38 K43 Y44 I45C33-Y41 VanDerWaalsContact O-CZ 3.3Å; C33-Y41 PolarHBondContact O-OH 3.28Å; G34-Y41 WeakPolarHBondContact CA-OH 3.15Å; G34-Y41 WeakPolarHBondContact O-CE1 3.27Å; P36-Y41 WeakPolarHBondContact O-CB 3.39Å; K38-Y41 HydrophobicContact CB-CD2 3.62Å; K38-Y41 HydrophobicContact CB-CE2 3.62Å; K38-Y41 HydrophobicContact CD-CE2 4.17Å; K38-Y41 HydrophobicContact CG-CE2 4.32Å; K38-Y41 WeakPolarHBondContact O-CD2 3.48Å; K38-Y41 PolarHBondContact O-N 2.93Å; Y41-K43 PolarHBondContact O-N 3.2Å; Y41-Y44 AromaticContact CD1-CD2 3.6Å; Y41-Y44 HydrophobicContact CD1-CD2 3.6Å; Y41-Y44 HydrophobicContact CD1-CE2 4.22Å; Y41-Y44 HydrophobicContact CD1-CG 4.48Å; Y41-Y44 HydrophobicContact CE1-CD2 4.04Å; Y41-Y44 HydrophobicContact CE1-CE2 4.31Å; Y41-Y44 HydrophobicContact CG-CD2 4.18Å; Y41-Y44 PolarHBondContact O-N 2.7Å; Y41-I45 PolarHBondContact O-N 2.78Å
42K54.5Low60.1Low179 Ų17998.2 Ų98.278%0.77850%0.495SS*.Hα-helixtrans-50.1-32.4171.5-89.9-175.2174.7179.20112.2Y44 E46K42-Y44 VanDerWaalsContact C-N 3.32Å; K42-Y44 PolarHBondContact O-N 3.23Å; K42-E46 WeakPolarHBondContact O-CB 3.31Å; K42-E46 PolarHBondContact O-N 3.49Å; K42-E46 VanDerWaalsContact O-N 3.08Å
43K51.8Low60.7Low156 Ų15690.6 Ų90.668%0.67846%0.462SS*.Hα-helixtrans-62-32.5176.7-167.9179.2179.1-175.70113.6Y41 A47Y41-K43 PolarHBondContact O-N 3.2Å; K43-A47 PolarHBondContact O-N 2.82Å
44Y55.9Low61.7Low88 Ų8894.9 Ų94.935%0.34547%0.471SS..Hα-helixtrans-85.5-36.9-179.3-60.5-71.7000112.4C33 Y41 K42 E46 A47C33-Y44 HydrophobicContact CB-CE1 4.46Å; Y41-Y44 AromaticContact CD1-CD2 3.6Å; Y41-Y44 HydrophobicContact CD1-CD2 3.6Å; Y41-Y44 HydrophobicContact CD1-CE2 4.22Å; Y41-Y44 HydrophobicContact CD1-CG 4.48Å; Y41-Y44 HydrophobicContact CE1-CD2 4.04Å; Y41-Y44 HydrophobicContact CE1-CE2 4.31Å; Y41-Y44 HydrophobicContact CG-CD2 4.18Å; Y41-Y44 PolarHBondContact O-N 2.7Å; K42-Y44 VanDerWaalsContact C-N 3.32Å; K42-Y44 PolarHBondContact O-N 3.23Å; Y44-E46 PolarHBondContact O-N 3.03Å; Y44-A47 VanDerWaalsContact O-CB 3.32Å; Y44-A47 WeakPolarHBondContact O-CB 3.43Å; Y44-A47 PolarHBondContact O-N 3.26Å
45I58.2Low62.9Low91 Ų9198.2 Ų98.247%0.46748%0.475SS..Hα-helixtrans-59.9-40.4170.5-65.5168.8000110.4P36 Y41 A47 L48P36-I45 HydrophobicContact CB-CD1 3.71Å; P36-I45 HydrophobicContact CB-CG1 4.19Å; P36-I45 HydrophobicContact CG-CD1 4.41Å; Y41-I45 PolarHBondContact O-N 2.78Å; I45-A47 PolarHBondContact O-N 3.15Å; I45-L48 PolarHBondContact O-N 3.21Å; I45-L48 VanDerWaalsContact O-N 3.16Å
46E61Low63.8Low65 Ų6593.3 Ų93.330%0.30446%0.462SS..Hα-helixtrans-60-31173.8-96.9-168.8-168.800113.7K42 Y44 L48 N49 R52 Y258K42-E46 WeakPolarHBondContact O-CB 3.31Å; K42-E46 PolarHBondContact O-N 3.49Å; K42-E46 VanDerWaalsContact O-N 3.08Å; Y44-E46 PolarHBondContact O-N 3.03Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 3.23Å; E46-N49 WeakPolarHBondContact O-CB 3.27Å; E46-N49 PolarHBondContact O-N 3.22Å; E46-R52 VanDerWaalsContact CG-NH1 3.3Å; E46-R52 WeakPolarHBondContact O-CD 3.45Å; E46-R52 IonicContact OE1-NH2 3.93Å; E46-R52 IonicContact OE2-CZ 3.64Å; E46-R52 IonicContact OE2-NH1 3.96Å; E46-R52 PolarHBondContact OE2-NH1 3.28Å; E46-R52 IonicContact OE2-NH2 2.75Å; E46-R52 PolarHBondContact OE2-NH2 2.95Å; E46-Y258 PolarHBondContact OE1-OH 2.93Å; E46-Y258 WeakPolarHBondContact OE2-CE1 3.27Å; E46-Y258 PolarHBondContact OE2-OH 3.5Å
47A61.3Low64.9Low42 Ų4292.3 Ų92.335%0.34746%0.455SS..Hα-helixtrans-71-23.2177.500000113K43 Y44 I45 N49 I53K43-A47 PolarHBondContact O-N 2.82Å; Y44-A47 VanDerWaalsContact O-CB 3.32Å; Y44-A47 WeakPolarHBondContact O-CB 3.43Å; Y44-A47 PolarHBondContact O-N 3.26Å; I45-A47 PolarHBondContact O-N 3.15Å; A47-N49 VanDerWaalsContact C-N 3.35Å; A47-I53 VanDerWaalsContact O-CD1 3.32Å; A47-I53 WeakPolarHBondContact O-CD1 3.3Å; A47-I53 WeakPolarHBondContact O-CG1 3.5Å
48L67.6Low66Low46 Ų4691 Ų9124%0.24144%0.442CS..THydrogen-bonded Turntrans-87.30.6177-67.9177.3000114Y23 C26 I45 E46 P50Y23-L48 HydrophobicContact CD1-CD2 4.13Å; Y23-L48 HydrophobicContact CE1-CD2 4.37Å; Y23-L48 WeakPolarHBondContact CE1-O 3.36Å; Y23-L48 PolarHBondContact OH-O 2.8Å; Y23-L48 VanDerWaalsContact OH-O 3.04Å; C26-L48 HydrophobicContact CB-CD2 3.72Å; I45-L48 PolarHBondContact O-N 3.21Å; I45-L48 VanDerWaalsContact O-N 3.16Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 3.23Å; L48-P50 WeakPolarHBondContact O-CD 3.3Å
49N74.2Confident67Low61 Ų6185.4 Ų85.433%0.32642%0.424SS..  trans-62.8120.5-179.3-175.3-44.3000110.8E46 A47 R51 R52 I53E46-N49 WeakPolarHBondContact O-CB 3.27Å; E46-N49 PolarHBondContact O-N 3.22Å; A47-N49 VanDerWaalsContact C-N 3.35Å; N49-R51 VanDerWaalsContact C-N 3.3Å; N49-R51 PolarHBondContact O-N 2.91Å; N49-R51 WeakPolarHBondContact OD1-CB 3.31Å; N49-R51 PolarHBondContact OD1-N 2.93Å; N49-R52 HydrophobicContact CB-CB 4.07Å; N49-R52 HydrophobicContact CB-CG 3.9Å; N49-R52 WeakPolarHBondContact O-CA 3.29Å; N49-R52 WeakPolarHBondContact O-CB 3.5Å; N49-R52 PolarHBondContact O-N 3.03Å; N49-I53 PolarHBondContact O-N 2.83Å
50P74.9Confident68.3Low87 Ų8782.1 Ų82.157%0.56540%0.401SS*.Hα-helixtrans-57.8-37.7-176.7-20.226.9000115.1Y23 L48 R52 Y54Y23-P50 WeakPolarHBondContact OH-CA 3.32Å; Y23-P50 VanDerWaalsContact OH-CB 3.23Å; Y23-P50 WeakPolarHBondContact OH-CB 3.27Å; Y23-P50 WeakPolarHBondContact OH-CD 3.39Å; Y23-P50 WeakPolarHBondContact OH-CG 3.44Å; L48-P50 WeakPolarHBondContact O-CD 3.3Å; P50-R52 VanDerWaalsContact C-N 3.26Å; P50-R52 PolarHBondContact O-N 3.31Å; P50-Y54 VanDerWaalsContact O-CB 3.25Å; P50-Y54 WeakPolarHBondContact O-CB 3.49Å; P50-Y54 PolarHBondContact O-N 3.18Å
51R76.5Confident69.4Low196 Ų19682.1 Ų82.174%0.7439%0.387SS*.Hα-helixtrans-64.9-35.9176.3-66.9-177.7176.9174.3-0.4110.9N49 R55N49-R51 VanDerWaalsContact C-N 3.3Å; N49-R51 PolarHBondContact O-N 2.91Å; N49-R51 WeakPolarHBondContact OD1-CB 3.31Å; N49-R51 PolarHBondContact OD1-N 2.93Å; R51-R55 VanDerWaalsContact O-CB 3.31Å; R51-R55 WeakPolarHBondContact O-CB 3.39Å; R51-R55 WeakPolarHBondContact O-CD 3.48Å; R51-R55 WeakPolarHBondContact O-CG 3.39Å; R51-R55 PolarHBondContact O-N 3.49Å; R51-R55 VanDerWaalsContact O-N 3.08Å
52R72.2Confident70.2Confident59 Ų5982.2 Ų82.222%0.22339%0.39CS..Hα-helixtrans-74.7-46.2-179.8-65.9-172.7-178.9-176.90.9112E46 N49 P50 Y54 R55 L56 Y258E46-R52 VanDerWaalsContact CG-NH1 3.3Å; E46-R52 WeakPolarHBondContact O-CD 3.45Å; E46-R52 IonicContact OE1-NH2 3.93Å; E46-R52 IonicContact OE2-CZ 3.64Å; E46-R52 IonicContact OE2-NH1 3.96Å; E46-R52 PolarHBondContact OE2-NH1 3.28Å; E46-R52 IonicContact OE2-NH2 2.75Å; E46-R52 PolarHBondContact OE2-NH2 2.95Å; N49-R52 HydrophobicContact CB-CB 4.07Å; N49-R52 HydrophobicContact CB-CG 3.9Å; N49-R52 WeakPolarHBondContact O-CA 3.29Å; N49-R52 WeakPolarHBondContact O-CB 3.5Å; N49-R52 PolarHBondContact O-N 3.03Å; P50-R52 VanDerWaalsContact C-N 3.26Å; P50-R52 PolarHBondContact O-N 3.31Å; R52-Y54 VanDerWaalsContact C-N 3.3Å; R52-Y54 PolarHBondContact O-N 3.37Å; R52-R55 PolarHBondContact O-N 2.93Å; R52-L56 WeakPolarHBondContact O-CB 3.07Å; R52-L56 PolarHBondContact O-N 3.08Å; R52-Y258 VanDerWaalsContact NH1-CE2 3.34Å; R52-Y258 PolarHBondContact NH2-OH 3.27Å
53I76.5Confident71.2Confident10 Ų1078.9 Ų78.95%0.05138%0.38CS..Hα-helixtrans-60.5-44.2177.2-71.7169.4000110.5P22 Y23 A47 N49 L56 T57P22-I53 HydrophobicContact CB-CG2 3.93Å; Y23-I53 HydrophobicContact CD1-CD1 3.65Å; Y23-I53 HydrophobicContact CD2-CB 4.39Å; Y23-I53 HydrophobicContact CD2-CD1 3.66Å; Y23-I53 HydrophobicContact CD2-CG2 3.79Å; Y23-I53 HydrophobicContact CE1-CD1 3.41Å; Y23-I53 VanDerWaalsContact CE1-CD1 3.41Å; Y23-I53 HydrophobicContact CE2-CB 3.87Å; Y23-I53 HydrophobicContact CE2-CD1 3.43Å; Y23-I53 VanDerWaalsContact CE2-CD1 3.43Å; Y23-I53 HydrophobicContact CE2-CG1 4.23Å; Y23-I53 HydrophobicContact CE2-CG2 3.69Å; Y23-I53 HydrophobicContact CG-CD1 3.78Å; A47-I53 VanDerWaalsContact O-CD1 3.32Å; A47-I53 WeakPolarHBondContact O-CD1 3.3Å; A47-I53 WeakPolarHBondContact O-CG1 3.5Å; N49-I53 PolarHBondContact O-N 2.83Å; I53-L56 PolarHBondContact O-N 2.82Å; I53-T57 VanDerWaalsContact O-CB 3.29Å; I53-T57 WeakPolarHBondContact O-CB 3.14Å; I53-T57 PolarHBondContact O-N 3.43Å; I53-T57 PolarHBondContact O-OG1 3.46Å
54Y77.8Confident72.6Confident153 Ų15377.1 Ų77.160%0.638%0.377SS*.Hα-helixtrans-58.6-49.6175.2176.4-99.6000112.1P50 R52 T57 F58P50-Y54 VanDerWaalsContact O-CB 3.25Å; P50-Y54 WeakPolarHBondContact O-CB 3.49Å; P50-Y54 PolarHBondContact O-N 3.18Å; R52-Y54 VanDerWaalsContact C-N 3.3Å; R52-Y54 PolarHBondContact O-N 3.37Å; Y54-T57 PolarHBondContact O-N 2.78Å; Y54-F58 WeakPolarHBondContact O-CB 3.48Å; Y54-F58 PolarHBondContact O-N 3.29Å
55R79Confident73.7Confident94 Ų9478.8 Ų78.836%0.35539%0.386SS..Hα-helixtrans-64.8-41.8-179.8-78.5175.4178.3-167.1-3.5113.3R51 R52 T57 F58 A59 K252 K253 R254R51-R55 VanDerWaalsContact O-CB 3.31Å; R51-R55 WeakPolarHBondContact O-CB 3.39Å; R51-R55 WeakPolarHBondContact O-CD 3.48Å; R51-R55 WeakPolarHBondContact O-CG 3.39Å; R51-R55 PolarHBondContact O-N 3.49Å; R51-R55 VanDerWaalsContact O-N 3.08Å; R52-R55 PolarHBondContact O-N 2.93Å; R55-T57 VanDerWaalsContact C-N 3.35Å; R55-F58 PolarHBondContact O-N 2.96Å; R55-A59 WeakPolarHBondContact O-CB 3.45Å; R55-A59 PolarHBondContact O-N 3.03Å; R55-K252 PolarHBondContact NH1-O 2.85Å; R55-K253 PolarHBondContact NH1-O 2.93Å; R55-K253 PolarHBondContact NH2-O 3.48Å; R55-K253 VanDerWaalsContact NH2-O 3.12Å; R55-R254 WeakPolarHBondContact CB-O 3.2Å; R55-R254 WeakPolarHBondContact CD-O 3.36Å
56L73.4Confident74.9Confident73 Ų7379 Ų7938%0.38238%0.382SS..Hα-helixtrans-64.5-42.6176-178.459.6000110.8R52 I53 F58 A59 T60 V259R52-L56 WeakPolarHBondContact O-CB 3.07Å; R52-L56 PolarHBondContact O-N 3.08Å; I53-L56 PolarHBondContact O-N 2.82Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 3.33Å; L56-A59 WeakPolarHBondContact O-CB 3.43Å; L56-A59 PolarHBondContact O-N 3.03Å; L56-T60 HydrophobicContact CD1-CG2 4.46Å; L56-T60 WeakPolarHBondContact O-CG2 3.24Å; L56-T60 PolarHBondContact O-N 3.48Å; L56-T60 PolarHBondContact O-OG1 3.3Å; L56-V259 HydrophobicContact CD1-CG2 3.92Å
57T76.9Confident76Confident14 Ų1483.1 Ų83.19%0.08640%0.399CS..Hα-helixtrans-63.4-41.4176.2-57.30000111.7F18 I53 Y54 R55 A59 T60 L61F18-T57 HydrophobicContact CB-CG2 3.8Å; F18-T57 HydrophobicContact CD1-CG2 3.65Å; F18-T57 HydrophobicContact CG-CG2 4.17Å; F18-T57 WeakPolarHBondContact O-CG2 3.39Å; F18-T57 PolarHBondContact O-OG1 3.4Å; I53-T57 VanDerWaalsContact O-CB 3.29Å; I53-T57 WeakPolarHBondContact O-CB 3.14Å; I53-T57 PolarHBondContact O-N 3.43Å; I53-T57 PolarHBondContact O-OG1 3.46Å; Y54-T57 PolarHBondContact O-N 2.78Å; R55-T57 VanDerWaalsContact C-N 3.35Å; T57-A59 VanDerWaalsContact C-N 3.33Å; T57-T60 WeakPolarHBondContact CA-OG1 3.32Å; T57-T60 PolarHBondContact O-N 2.86Å; T57-T60 PolarHBondContact O-OG1 3.49Å; T57-L61 HydrophobicContact CG2-CD1 4.32Å; T57-L61 WeakPolarHBondContact O-CB 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.48Å; T57-L61 PolarHBondContact O-N 3.27Å
58F78.9Confident77.3Confident120 Ų12086.9 Ų86.953%0.52641%0.409SS..Hα-helixtrans-61.9-43.7173.7-172.1-93.2000111.1Y54 R55 L56 T60 L61 D62Y54-F58 WeakPolarHBondContact O-CB 3.48Å; Y54-F58 PolarHBondContact O-N 3.29Å; R55-F58 PolarHBondContact O-N 2.96Å; L56-F58 VanDerWaalsContact C-N 3.33Å; L56-F58 PolarHBondContact O-N 3.33Å; F58-T60 PolarHBondContact O-N 3.06Å; F58-L61 PolarHBondContact O-N 3.15Å; F58-D62 WeakPolarHBondContact O-CB 3.44Å; F58-D62 PolarHBondContact O-N 2.97Å
59A73.7Confident78.4Confident31 Ų3185.8 Ų85.826%0.25640%0.402SS..Hα-helixtrans-63.8-38.7176.500000112.9R55 L56 T57 D62 L63 I256R55-A59 WeakPolarHBondContact O-CB 3.45Å; R55-A59 PolarHBondContact O-N 3.03Å; L56-A59 WeakPolarHBondContact O-CB 3.43Å; L56-A59 PolarHBondContact O-N 3.03Å; T57-A59 VanDerWaalsContact C-N 3.33Å; A59-D62 WeakPolarHBondContact O-CB 3.25Å; A59-D62 PolarHBondContact O-N 3.28Å; A59-L63 PolarHBondContact O-N 2.61Å; A59-I256 HydrophobicContact CB-CG2 4.03Å
60T75.9Confident79.2Confident71 Ų7188.9 Ų88.944%0.43641%0.409SS..Hα-helixtrans-70.7-38.1176.4550000112L56 T57 F58 D62 L63L56-T60 HydrophobicContact CD1-CG2 4.46Å; L56-T60 WeakPolarHBondContact O-CG2 3.24Å; L56-T60 PolarHBondContact O-N 3.48Å; L56-T60 PolarHBondContact O-OG1 3.3Å; T57-T60 WeakPolarHBondContact CA-OG1 3.32Å; T57-T60 PolarHBondContact O-N 2.86Å; T57-T60 PolarHBondContact O-OG1 3.49Å; F58-T60 PolarHBondContact O-N 3.06Å; T60-D62 VanDerWaalsContact C-N 3.29Å; T60-D62 PolarHBondContact O-N 2.83Å; T60-L63 VanDerWaalsContact O-CB 3.27Å; T60-L63 WeakPolarHBondContact O-CB 3.47Å; T60-L63 PolarHBondContact O-N 3.27Å; T60-L63 VanDerWaalsContact O-N 3.15Å
61L79.1Confident80.1Confident59 Ų5991.4 Ų91.431%0.30941%0.411SS..Hα-helixtrans-62.4-37.8170.6-81.2175.7000111.9F18 T57 F58 L63 L64F18-L61 HydrophobicContact CD1-CD1 3.79Å; F18-L61 HydrophobicContact CD1-CD2 4.11Å; F18-L61 HydrophobicContact CD1-CG 4.04Å; F18-L61 HydrophobicContact CE1-CD1 3.8Å; F18-L61 HydrophobicContact CE1-CD2 3.28Å; F18-L61 HydrophobicContact CE1-CG 3.71Å; F18-L61 HydrophobicContact CG-CD1 4.32Å; F18-L61 HydrophobicContact CZ-CD1 4.31Å; F18-L61 HydrophobicContact CZ-CD2 3.63Å; F18-L61 HydrophobicContact CZ-CG 4.4Å; T57-L61 HydrophobicContact CG2-CD1 4.32Å; T57-L61 WeakPolarHBondContact O-CB 3.26Å; T57-L61 WeakPolarHBondContact O-CG 3.48Å; T57-L61 PolarHBondContact O-N 3.27Å; F58-L61 PolarHBondContact O-N 3.15Å; L61-L63 PolarHBondContact O-N 3.28Å; L61-L64 HydrophobicContact CD2-CD1 3.72Å; L61-L64 VanDerWaalsContact O-CB 3.24Å; L61-L64 WeakPolarHBondContact O-CB 3.1Å; L61-L64 WeakPolarHBondContact O-CG 3.05Å; L61-L64 PolarHBondContact O-N 2.97Å
62D75Confident80.9Confident32 Ų3282.2 Ų82.217%0.17138%0.377CS..Hα-helixtrans-60.9-28.8175.7-150.147.3000111.5F58 A59 T60 L64 K65F58-D62 WeakPolarHBondContact O-CB 3.44Å; F58-D62 PolarHBondContact O-N 2.97Å; A59-D62 WeakPolarHBondContact O-CB 3.25Å; A59-D62 PolarHBondContact O-N 3.28Å; T60-D62 VanDerWaalsContact C-N 3.29Å; T60-D62 PolarHBondContact O-N 2.83Å; D62-L64 PolarHBondContact O-N 3.2Å; D62-K65 VanDerWaalsContact O-CB 3.29Å; D62-K65 WeakPolarHBondContact O-CB 3.32Å; D62-K65 WeakPolarHBondContact O-CG 3.18Å; D62-K65 PolarHBondContact O-N 3.06Å; D62-K65 VanDerWaalsContact O-N 3.09Å; D62-K65 VanDerWaalsContact OD1-CD 3.27Å; D62-K65 WeakPolarHBondContact OD1-CD 3.4Å; D62-K65 WeakPolarHBondContact OD1-CE 3.43Å; D62-K65 IonicContact OD1-NZ 2.65Å; D62-K65 PolarHBondContact OD1-NZ 3.25Å
63L75.9Confident81.8Confident108 Ų10884.5 Ų84.557%0.56539%0.39SS*.G310 helixtrans-63.1-24.8174.3-60.6176000113A59 T60 L61 K65 Y66A59-L63 PolarHBondContact O-N 2.61Å; T60-L63 VanDerWaalsContact O-CB 3.27Å; T60-L63 WeakPolarHBondContact O-CB 3.47Å; T60-L63 PolarHBondContact O-N 3.27Å; T60-L63 VanDerWaalsContact O-N 3.15Å; L61-L63 PolarHBondContact O-N 3.28Å; L63-K65 PolarHBondContact O-N 3.21Å; L63-Y66 HydrophobicContact CB-CD2 4.46Å; L63-Y66 HydrophobicContact CD2-CD2 4.14Å; L63-Y66 HydrophobicContact CD2-CE2 3.92Å; L63-Y66 WeakPolarHBondContact O-CB 3.26Å; L63-Y66 WeakPolarHBondContact O-CD2 3.19Å; L63-Y66 PolarHBondContact O-N 3.38Å
64L79.9Confident82.6Confident120 Ų12089.7 Ų89.763%0.62841%0.413SS*.G310 helixtrans-63.9-25.7176.3-62176.2000111.9L61 D62 Y66 F67L61-L64 HydrophobicContact CD2-CD1 3.72Å; L61-L64 VanDerWaalsContact O-CB 3.24Å; L61-L64 WeakPolarHBondContact O-CB 3.1Å; L61-L64 WeakPolarHBondContact O-CG 3.05Å; L61-L64 PolarHBondContact O-N 2.97Å; D62-L64 PolarHBondContact O-N 3.2Å; L64-Y66 PolarHBondContact O-N 3.09Å; L64-F67 WeakPolarHBondContact O-CB 3.29Å; L64-F67 PolarHBondContact O-N 3.03Å
65K80.8Confident83.3Confident122 Ų12286.9 Ų86.953%0.5341%0.405SS..G310 helixtrans-60.2-26.4174.4-64.9179178.8165.90112D62 L63 F67 Q68D62-K65 VanDerWaalsContact O-CB 3.29Å; D62-K65 WeakPolarHBondContact O-CB 3.32Å; D62-K65 WeakPolarHBondContact O-CG 3.18Å; D62-K65 PolarHBondContact O-N 3.06Å; D62-K65 VanDerWaalsContact O-N 3.09Å; D62-K65 VanDerWaalsContact OD1-CD 3.27Å; D62-K65 WeakPolarHBondContact OD1-CD 3.4Å; D62-K65 WeakPolarHBondContact OD1-CE 3.43Å; D62-K65 IonicContact OD1-NZ 2.65Å; D62-K65 PolarHBondContact OD1-NZ 3.25Å; L63-K65 PolarHBondContact O-N 3.21Å; K65-F67 PolarHBondContact O-N 3.48Å; K65-Q68 WeakPolarHBondContact O-CG 3.48Å; K65-Q68 PolarHBondContact O-N 3.39Å; K65-Q68 PolarHBondContact O-NE2 2.96Å
66Y81.8Confident83.9Confident96 Ų9683.3 Ų83.338%0.37639%0.393SS..G310 helixtrans-72.8-14.5178-63.8-79.8000113.3L63 L64 Q68 Y69 T336L63-Y66 HydrophobicContact CB-CD2 4.46Å; L63-Y66 HydrophobicContact CD2-CD2 4.14Å; L63-Y66 HydrophobicContact CD2-CE2 3.92Å; L63-Y66 WeakPolarHBondContact O-CB 3.26Å; L63-Y66 WeakPolarHBondContact O-CD2 3.19Å; L63-Y66 PolarHBondContact O-N 3.38Å; L64-Y66 PolarHBondContact O-N 3.09Å; Y66-Q68 PolarHBondContact O-N 3.13Å; Y66-Q68 VanDerWaalsContact O-N 3.14Å; Y66-Y69 HydrophobicContact CD1-CD2 4.07Å; Y66-Y69 HydrophobicContact CD1-CE2 4.08Å; Y66-Y69 PolarHBondContact O-N 3.21Å; Y66-T336 HydrophobicContact CD1-CG2 4.23Å; Y66-T336 HydrophobicContact CE1-CG2 3.84Å; Y66-T336 VanDerWaalsContact CE1-OG1 3.29Å; Y66-T336 WeakPolarHBondContact CE1-OG1 3.36Å
67F85.8Confident84.8Confident151 Ų15185.2 Ų85.266%0.66240%0.398SS*.G310 helixtrans-58.1-28.5175.1-169.4-102.6000111.9L64 K65 Y69 W70L64-F67 WeakPolarHBondContact O-CB 3.29Å; L64-F67 PolarHBondContact O-N 3.03Å; K65-F67 PolarHBondContact O-N 3.48Å; F67-Y69 PolarHBondContact O-N 3.1Å; F67-Y69 VanDerWaalsContact O-N 3.08Å; F67-W70 VanDerWaalsContact O-CB 3.31Å; F67-W70 WeakPolarHBondContact O-CB 3.42Å; F67-W70 PolarHBondContact O-N 2.88Å
68Q88.1Confident85.5Confident121 Ų12188.4 Ų88.457%0.56542%0.421SS*.G310 helixtrans-58.3-23.5174.978.3-170.6-56.700113.6K65 Y66K65-Q68 WeakPolarHBondContact O-CG 3.48Å; K65-Q68 PolarHBondContact O-N 3.39Å; K65-Q68 PolarHBondContact O-NE2 2.96Å; Y66-Q68 PolarHBondContact O-N 3.13Å; Y66-Q68 VanDerWaalsContact O-N 3.14Å
69Y89.6Confident86Confident24 Ų2484 Ų849%0.09440%0.401CS..G310 helixtrans-89.86.8179.1-56.6-74.7000113.8Y66 F67 K71 L72 H73 T336 T340Y66-Y69 HydrophobicContact CD1-CD2 4.07Å; Y66-Y69 HydrophobicContact CD1-CE2 4.08Å; Y66-Y69 PolarHBondContact O-N 3.21Å; F67-Y69 PolarHBondContact O-N 3.1Å; F67-Y69 VanDerWaalsContact O-N 3.08Å; Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 2.87Å; Y69-L72 HydrophobicContact CD1-CD2 4.27Å; Y69-L72 WeakPolarHBondContact O-CA 3.42Å; Y69-L72 WeakPolarHBondContact O-CB 3.47Å; Y69-L72 PolarHBondContact O-N 2.7Å; Y69-H73 PolarHBondContact O-N 3.02Å; Y69-T336 HydrophobicContact CD2-CG2 4.48Å; Y69-T336 HydrophobicContact CE2-CG2 3.77Å; Y69-T340 HydrophobicContact CD1-CG2 4.23Å; Y69-T340 HydrophobicContact CE1-CG2 4.17Å; Y69-T340 WeakPolarHBondContact CE1-OG1 3.36Å
70W91.4Very high86.8Confident125 Ų12584.6 Ų84.647%0.47340%0.396SS..Hα-helixtrans-55.1-42.8-178.874.3-66.5000113.2F67 L72 H73 F74F67-W70 VanDerWaalsContact O-CB 3.31Å; F67-W70 WeakPolarHBondContact O-CB 3.42Å; F67-W70 PolarHBondContact O-N 2.88Å; W70-L72 VanDerWaalsContact C-N 3.34Å; W70-L72 PolarHBondContact O-N 2.84Å; W70-H73 WeakPolarHBondContact O-CB 3.37Å; W70-H73 PolarHBondContact O-N 3Å; W70-F74 HydrophobicContact CE3-CD2 4.1Å; W70-F74 AromaticContact CE3-CE2 3.83Å; W70-F74 HydrophobicContact CE3-CE2 3.83Å; W70-F74 HydrophobicContact CZ3-CE2 4.36Å; W70-F74 WeakPolarHBondContact O-CD2 3.35Å; W70-F74 PolarHBondContact O-N 2.84Å; W70-F74 VanDerWaalsContact O-N 3.09Å
71K93.8Very high87.4Confident140 Ų14090.1 Ų90.161%0.60941%0.409SS*.Hα-helixtrans-59.1-45175.2-69-174.4179.7-179.50111.9Y69 H73 F74 Q75Y69-K71 VanDerWaalsContact C-N 3.32Å; Y69-K71 PolarHBondContact O-N 2.87Å; K71-H73 VanDerWaalsContact C-N 3.33Å; K71-H73 PolarHBondContact O-N 2.78Å; K71-F74 PolarHBondContact O-N 2.81Å; K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 3.08Å
72L93.1Very high87.6Confident3 Ų390.2 Ų90.22%0.01641%0.41CS..Hα-helixtrans-62.8-41.3177.1175.663.2000111Y69 W70 F74 Q75 I76 L138 T340 M343 L344Y69-L72 HydrophobicContact CD1-CD2 4.27Å; Y69-L72 WeakPolarHBondContact O-CA 3.42Å; Y69-L72 WeakPolarHBondContact O-CB 3.47Å; Y69-L72 PolarHBondContact O-N 2.7Å; W70-L72 VanDerWaalsContact C-N 3.34Å; W70-L72 PolarHBondContact O-N 2.84Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 2.89Å; L72-Q75 WeakPolarHBondContact O-CB 3.38Å; L72-Q75 PolarHBondContact O-N 2.76Å; L72-Q75 VanDerWaalsContact O-N 3.14Å; L72-I76 HydrophobicContact CD1-CD1 4.27Å; L72-I76 HydrophobicContact CD1-CG1 4.25Å; L72-I76 HydrophobicContact CG-CD1 3.94Å; L72-I76 HydrophobicContact CG-CG1 4.4Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.19Å; L72-I76 PolarHBondContact O-N 2.8Å; L72-L138 HydrophobicContact CD1-CD1 4.05Å; L72-T340 HydrophobicContact CD2-CG2 4.19Å; L72-M343 HydrophobicContact CD1-CB 4Å; L72-M343 HydrophobicContact CD1-SD 4.24Å; L72-M343 HydrophobicContact CD2-SD 3.93Å; L72-M343 HydrophobicContact CG-SD 4.31Å; L72-L344 HydrophobicContact CD1-CD1 3.73Å; L72-L344 HydrophobicContact CD1-CG 3.91Å
73H91.3Very high87.6Confident108 Ų10896 Ų9650%0.544%0.437SS..Hα-helixtrans-56.7-44.9175176.582.6000112.2Y69 W70 K71 I76 K77Y69-H73 PolarHBondContact O-N 3.02Å; W70-H73 WeakPolarHBondContact O-CB 3.37Å; W70-H73 PolarHBondContact O-N 3Å; K71-H73 VanDerWaalsContact C-N 3.33Å; K71-H73 PolarHBondContact O-N 2.78Å; H73-I76 PolarHBondContact O-N 2.91Å; H73-K77 WeakPolarHBondContact O-CB 3.21Å; H73-K77 PolarHBondContact O-N 3.08Å
74F93.5Very high87.4Confident119 Ų11997.5 Ų97.552%0.52244%0.44SS..Hα-helixtrans-65.7-38.6175.9-76.5-70.5000112.6W70 K71 L72 K77 S78W70-F74 HydrophobicContact CE3-CD2 4.1Å; W70-F74 AromaticContact CE3-CE2 3.83Å; W70-F74 HydrophobicContact CE3-CE2 3.83Å; W70-F74 HydrophobicContact CZ3-CE2 4.36Å; W70-F74 WeakPolarHBondContact O-CD2 3.35Å; W70-F74 PolarHBondContact O-N 2.84Å; W70-F74 VanDerWaalsContact O-N 3.09Å; K71-F74 PolarHBondContact O-N 2.81Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 2.89Å; F74-K77 PolarHBondContact O-N 2.94Å; F74-S78 VanDerWaalsContact O-CB 3.25Å; F74-S78 WeakPolarHBondContact O-CB 3.43Å; F74-S78 PolarHBondContact O-N 2.96Å
75Q93.1Very high86.8Confident94 Ų9493.8 Ų93.844%0.43942%0.421SS..Hα-helixtrans-62.3-45.9174.9-71.5172.2-46.100111.8K71 L72 K77 S78 W79 L138K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 3.08Å; L72-Q75 WeakPolarHBondContact O-CB 3.38Å; L72-Q75 PolarHBondContact O-N 2.76Å; L72-Q75 VanDerWaalsContact O-N 3.14Å; Q75-K77 PolarHBondContact O-N 2.98Å; Q75-S78 PolarHBondContact O-N 2.98Å; Q75-W79 VanDerWaalsContact O-CB 3.24Å; Q75-W79 WeakPolarHBondContact O-CB 3.26Å; Q75-W79 PolarHBondContact O-N 3.28Å; Q75-L138 HydrophobicContact CB-CD1 4.28Å
76I91.7Very high85.7Confident19 Ų1989.8 Ų89.810%0.09741%0.409CS..Hα-helixtrans-56.6-52174.6-68.6164000109.9L72 H73 S78 W79 Y80 S134 L138 M343L72-I76 HydrophobicContact CD1-CD1 4.27Å; L72-I76 HydrophobicContact CD1-CG1 4.25Å; L72-I76 HydrophobicContact CG-CD1 3.94Å; L72-I76 HydrophobicContact CG-CG1 4.4Å; L72-I76 VanDerWaalsContact O-CG1 3.29Å; L72-I76 WeakPolarHBondContact O-CG1 3.19Å; L72-I76 PolarHBondContact O-N 2.8Å; H73-I76 PolarHBondContact O-N 2.91Å; I76-S78 PolarHBondContact O-N 3.29Å; I76-W79 PolarHBondContact O-N 3.23Å; I76-Y80 VanDerWaalsContact O-CB 3.23Å; I76-Y80 WeakPolarHBondContact O-CB 3.38Å; I76-Y80 PolarHBondContact O-N 3.22Å; I76-S134 WeakPolarHBondContact CG2-O 3.33Å; I76-L138 HydrophobicContact CG1-CD1 3.71Å; I76-L138 HydrophobicContact CG1-CG 4.16Å; I76-M343 HydrophobicContact CD1-CE 4.39Å; I76-M343 HydrophobicContact CD1-SD 3.66Å; I76-M343 HydrophobicContact CG1-SD 4.29Å
77K91.4Very high84.6Confident112 Ų11292.9 Ų92.949%0.48742%0.424SS..Hα-helixtrans-63.4-42.2-177.4-171.4176-177.1178.10112H73 F74 Q75 R81H73-K77 WeakPolarHBondContact O-CB 3.21Å; H73-K77 PolarHBondContact O-N 3.08Å; F74-K77 PolarHBondContact O-N 2.94Å; Q75-K77 PolarHBondContact O-N 2.98Å; K77-R81 WeakPolarHBondContact O-CB 3.3Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.34Å; K77-R81 PolarHBondContact O-N 3.11Å; K77-R81 VanDerWaalsContact O-N 3.15Å
78S91.8Very high83.1Confident82 Ų8293.6 Ų93.657%0.57343%0.429SS*.Hα-helixtrans-62.2-52.9176.3-177.20000110.8F74 Q75 I76 Y80 R81 N82F74-S78 VanDerWaalsContact O-CB 3.25Å; F74-S78 WeakPolarHBondContact O-CB 3.43Å; F74-S78 PolarHBondContact O-N 2.96Å; Q75-S78 PolarHBondContact O-N 2.98Å; I76-S78 PolarHBondContact O-N 3.29Å; S78-Y80 VanDerWaalsContact C-N 3.34Å; S78-Y80 PolarHBondContact O-N 2.96Å; S78-R81 PolarHBondContact O-N 2.84Å; S78-N82 PolarHBondContact O-N 3.25Å; S78-N82 VanDerWaalsContact O-N 3.09Å
79W90Very high81.9Confident28 Ų2889.9 Ų89.911%0.10642%0.416CS..Hα-helixtrans-61.6-42.6-178.1-17093.9000112Q75 I76 R81 N82 N85 K90 Y106 C137 L138 R141Q75-W79 VanDerWaalsContact O-CB 3.24Å; Q75-W79 WeakPolarHBondContact O-CB 3.26Å; Q75-W79 PolarHBondContact O-N 3.28Å; I76-W79 PolarHBondContact O-N 3.23Å; W79-R81 PolarHBondContact O-N 2.84Å; W79-N82 PolarHBondContact O-N 2.68Å; W79-N85 HydrophobicContact CZ2-CB 4.12Å; W79-N85 PolarHBondContact NE1-ND2 3.34Å; W79-N85 PolarHBondContact O-ND2 3.39Å; W79-K90 HydrophobicContact CH2-CD 3.88Å; W79-K90 HydrophobicContact CZ3-CD 3.86Å; W79-Y106 HydrophobicContact CH2-CD1 4.11Å; W79-Y106 AromaticContact CH2-CE1 3.67Å; W79-Y106 HydrophobicContact CH2-CE1 3.67Å; W79-Y106 AromaticContact CZ3-CE1 3.8Å; W79-Y106 HydrophobicContact CZ3-CE1 3.8Å; W79-C137 HydrophobicContact CE3-CB 3.76Å; W79-C137 VanDerWaalsContact CE3-SG 3.59Å; W79-C137 HydrophobicContact CZ3-CB 3.63Å; W79-L138 HydrophobicContact CB-CD2 3.79Å; W79-L138 HydrophobicContact CD2-CD2 3.85Å; W79-L138 HydrophobicContact CE3-CD2 4.48Å; W79-L138 HydrophobicContact CG-CD2 3.49Å; W79-L138 VanDerWaalsContact CG-CD2 3.49Å; W79-R141 HydrophobicContact CZ2-CB 4.33Å; W79-R141 HydrophobicContact CZ2-CG 4.36Å; W79-R141 VanDerWaalsContact NE1-NH1 3.19Å
80Y89.6Confident81.4Confident42 Ų4288.9 Ų88.917%0.16541%0.412CS..Hα-helixtrans-67.7-33.7-179.8-168.4-95.5000113.1I76 S78 K90 K92 D104 R133 C137I76-Y80 VanDerWaalsContact O-CB 3.23Å; I76-Y80 WeakPolarHBondContact O-CB 3.38Å; I76-Y80 PolarHBondContact O-N 3.22Å; S78-Y80 VanDerWaalsContact C-N 3.34Å; S78-Y80 PolarHBondContact O-N 2.96Å; Y80-K90 VanDerWaalsContact CD2-NZ 3.27Å; Y80-K92 PolarHBondContact O-NZ 3.33Å; Y80-D104 WeakPolarHBondContact CE2-OD2 3.43Å; Y80-D104 PolarHBondContact OH-OD2 3.2Å; Y80-R133 PolarHBondContact OH-NH2 3.09Å; Y80-C137 HydrophobicContact CD2-CB 3.74Å; Y80-C137 HydrophobicContact CE2-CB 4.45Å
81R88.1Confident81Confident187 Ų18787 Ų8771%0.70641%0.408SS*.Hα-helixtrans-78.1-25.4177.8-75176.667.2-162.82.5113.1K77 S78 W79 E83K77-R81 WeakPolarHBondContact O-CB 3.3Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.34Å; K77-R81 PolarHBondContact O-N 3.11Å; K77-R81 VanDerWaalsContact O-N 3.15Å; S78-R81 PolarHBondContact O-N 2.84Å; W79-R81 PolarHBondContact O-N 2.84Å; R81-E83 PolarHBondContact O-N 2.81Å
82N84.8Confident80.8Confident62 Ų6283.5 Ų83.533%0.33239%0.392SS..  trans-65.1119.5179.8-171.2-17.3000110.3S78 W79 E84 K92S78-N82 PolarHBondContact O-N 3.25Å; S78-N82 VanDerWaalsContact O-N 3.09Å; W79-N82 PolarHBondContact O-N 2.68Å; N82-E84 WeakPolarHBondContact OD1-CB 3.35Å; N82-E84 PolarHBondContact OD1-N 3.39Å; N82-K92 PolarHBondContact O-NZ 3.16Å; N82-K92 VanDerWaalsContact O-NZ 3.13Å
83E74.8Confident80.8Confident154 Ų15484.5 Ų84.572%0.7240%0.403SS*.SBendtrans-76.8-27.9-178.7-68.2-170.617400112.5R81 N85 S86R81-E83 PolarHBondContact O-N 2.81Å; E83-N85 VanDerWaalsContact C-N 3.28Å; E83-N85 PolarHBondContact O-N 3.21Å; E83-S86 WeakPolarHBondContact O-CA 3.34Å; E83-S86 WeakPolarHBondContact O-CB 3.35Å; E83-S86 PolarHBondContact O-N 2.85Å; E83-S86 PolarHBondContact O-OG 2.88Å; E83-S86 VanDerWaalsContact O-OG 3.1Å
84E70.9Confident81Confident138 Ų13880.6 Ų80.665%0.64539%0.386SS*.THydrogen-bonded Turntrans-63.3-35.5179-63.4-175.1154.700111.9N82 S86 K87N82-E84 WeakPolarHBondContact OD1-CB 3.35Å; N82-E84 PolarHBondContact OD1-N 3.39Å; E84-S86 PolarHBondContact O-N 2.81Å; E84-S86 VanDerWaalsContact O-N 3.13Å; E84-K87 PolarHBondContact O-N 2.86Å
85N67.6Low81.3Confident42 Ų4279.2 Ų79.223%0.22539%0.386CS..Hα-helixtrans-60.2-22.1171.8-68.4-26000112.8W79 E83W79-N85 HydrophobicContact CZ2-CB 4.12Å; W79-N85 PolarHBondContact NE1-ND2 3.34Å; W79-N85 PolarHBondContact O-ND2 3.39Å; E83-N85 VanDerWaalsContact C-N 3.28Å; E83-N85 PolarHBondContact O-N 3.21Å
86S57.3Low81.5Confident39 Ų3975 Ų7527%0.27337%0.367SS..Hα-helixtrans-82.6-14.2177.6-32.20000112.9E83 E84 K90 K92E83-S86 WeakPolarHBondContact O-CA 3.34Å; E83-S86 WeakPolarHBondContact O-CB 3.35Å; E83-S86 PolarHBondContact O-N 2.85Å; E83-S86 PolarHBondContact O-OG 2.88Å; E83-S86 VanDerWaalsContact O-OG 3.1Å; E84-S86 PolarHBondContact O-N 2.81Å; E84-S86 VanDerWaalsContact O-N 3.13Å; S86-K90 CarbonylContact C-O 3.51Å; S86-K90 VanDerWaalsContact CA-O 3.32Å; S86-K90 WeakPolarHBondContact CA-O 3.46Å; S86-K92 VanDerWaalsContact OG-CE 3.26Å; S86-K92 WeakPolarHBondContact OG-CE 3.39Å; S86-K92 PolarHBondContact OG-NZ 2.82Å
87K57.9Low81.7Confident161 Ų16175.8 Ų75.870%0.738%0.379SS*.Hα-helixtrans-80.7-24-176.5-70-177178.5176.60113.5E84E84-K87 PolarHBondContact O-N 2.86Å
88H54.6Low81.9Confident165 Ų16576 Ų7676%0.76438%0.377SS*.Hα-helixtrans-124.5-29.3-172.3-64.281.1000114.7
89C63.6Low82Confident43 Ų4376.2 Ų76.229%0.29137%0.365SS..SBendtrans-132.16.1-171.2-54.70000114.4Y106 Y107C89-Y106 WeakPolarHBondContact O-CA 3.36Å; C89-Y107 PolarHBondContact O-N 2.98Å
90K78.4Confident82.3Confident4 Ų476.8 Ų76.82%0.01738%0.379CS..EExtended strand (participates in β ladder)trans-156.6130.8-172-173.8-178.4-178.5-178.40116W79 Y80 S86 K92 D104 L105 Y106W79-K90 HydrophobicContact CH2-CD 3.88Å; W79-K90 HydrophobicContact CZ3-CD 3.86Å; Y80-K90 VanDerWaalsContact CD2-NZ 3.27Å; S86-K90 CarbonylContact C-O 3.51Å; S86-K90 VanDerWaalsContact CA-O 3.32Å; S86-K90 WeakPolarHBondContact CA-O 3.46Å; K90-K92 HydrophobicContact CD-CD 4.32Å; K90-K92 HydrophobicContact CD-CG 3.83Å; K90-K92 HydrophobicContact CG-CG 4.14Å; K90-D104 WeakPolarHBondContact CE-OD2 3.49Å; K90-D104 IonicContact NZ-OD2 2.81Å; K90-D104 PolarHBondContact NZ-OD2 2.94Å; K90-L105 CarbonylContact C-O 3.41Å; K90-L105 VanDerWaalsContact CA-O 3.26Å; K90-L105 WeakPolarHBondContact CA-O 3.35Å; K90-Y106 HydrophobicContact CB-CD1 4.29Å; K90-Y106 HydrophobicContact CD-CD1 3.98Å; K90-Y106 HydrophobicContact CD-CE1 3.44Å; K90-Y106 VanDerWaalsContact CD-CE1 3.44Å; K90-Y106 WeakPolarHBondContact CE-OH 3.4Å; K90-Y106 HydrophobicContact CG-CD1 3.98Å; K90-Y106 HydrophobicContact CG-CE1 3.92Å; K90-Y106 HydrophobicContact CG-CG 4.45Å; K90-Y106 PolarHBondContact NZ-OH 3.49Å
91K84.2Confident82.7Confident86 Ų8676.1 Ų76.137%0.37438%0.379SS..EExtended strand (participates in β ladder)trans-106.1122.2164.2-68173.7-179.2164.80110.2I94 D104 L105 Y107 F185K91-I94 HydrophobicContact CB-CD1 3.88Å; K91-I94 HydrophobicContact CB-CG1 4.49Å; K91-D104 WeakPolarHBondContact O-CA 3.43Å; K91-L105 HydrophobicContact CB-CB 4.48Å; K91-L105 PolarHBondContact N-O 3.03Å; K91-L105 PolarHBondContact O-N 3.43Å; K91-Y107 HydrophobicContact CD-CE2 4.08Å; K91-Y107 HydrophobicContact CG-CE2 4.24Å; K91-Y107 PolarHBondContact NZ-OH 3.39Å; K91-F185 HydrophobicContact CD-CD1 3.66Å; K91-F185 HydrophobicContact CD-CE1 3.76Å
92K89.9Confident83.2Confident66 Ų6671.9 Ų71.929%0.28737%0.366SS..EExtended strand (participates in β ladder)trans-99.5143.4-175-74.9172.5-165.1170.20112.4Y80 N82 S86 K90 I94 D104Y80-K92 PolarHBondContact O-NZ 3.33Å; N82-K92 PolarHBondContact O-NZ 3.16Å; N82-K92 VanDerWaalsContact O-NZ 3.13Å; S86-K92 VanDerWaalsContact OG-CE 3.26Å; S86-K92 WeakPolarHBondContact OG-CE 3.39Å; S86-K92 PolarHBondContact OG-NZ 2.82Å; K90-K92 HydrophobicContact CD-CD 4.32Å; K90-K92 HydrophobicContact CD-CG 3.83Å; K90-K92 HydrophobicContact CG-CG 4.14Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 3.46Å; K92-D104 WeakPolarHBondContact CA-OD1 3.45Å
93G92.7Very high83.8Confident23 Ų2369 Ų6924%0.23735%0.35CS..EExtended strand (participates in β ladder)trans66.930.1162.600000115V95 L103 D104G93-V95 PolarHBondContact O-N 2.96Å; G93-L103 PolarHBondContact N-O 3.25Å; G93-L103 VanDerWaalsContact N-O 3.12Å; G93-D104 PolarHBondContact N-OD1 3.38Å
94I96.2Very high84.8Confident27 Ų2761.6 Ų61.614%0.13832%0.316CS..EExtended strand (participates in β ladder)trans-64.9125.5174.6-60.6161.6000107.7K91 K92 K102 L103 L105 W177 F185K91-I94 HydrophobicContact CB-CD1 3.88Å; K91-I94 HydrophobicContact CB-CG1 4.49Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 3.46Å; I94-K102 CarbonylContact O-C 3.59Å; I94-K102 VanDerWaalsContact O-CA 3.28Å; I94-K102 WeakPolarHBondContact O-CA 3.29Å; I94-L103 HydrophobicContact CB-CD1 3.76Å; I94-L103 HydrophobicContact CB-CG 4.13Å; I94-L103 HydrophobicContact CD1-CD1 3.8Å; I94-L103 HydrophobicContact CG1-CD1 4.32Å; I94-L103 HydrophobicContact CG2-CD1 4.29Å; I94-L103 PolarHBondContact N-O 3.09Å; I94-L103 PolarHBondContact O-N 2.87Å; I94-L105 HydrophobicContact CD1-CB 4.14Å; I94-W177 HydrophobicContact CD1-CH2 4.49Å; I94-W177 HydrophobicContact CD1-CZ2 4.28Å; I94-W177 HydrophobicContact CG2-CZ2 3.76Å; I94-F185 HydrophobicContact CD1-CD1 4.09Å; I94-F185 HydrophobicContact CD1-CE1 3.43Å; I94-F185 VanDerWaalsContact CD1-CE1 3.43Å; I94-F185 HydrophobicContact CD1-CZ 3.97Å; I94-F185 HydrophobicContact CG1-CE1 4.21Å; I94-F185 HydrophobicContact CG1-CZ 4.44Å; I94-F185 HydrophobicContact CG2-CZ 4.26Å
95V97.9Very high86Confident89 Ų8955 Ų5554%0.53929%0.285SS..EExtended strand (participates in β ladder)trans-78.4134.8178.7-178.80000109.2G93 N101 K102G93-V95 PolarHBondContact O-N 2.96Å; V95-N101 CarbonylContact C-O 3.54Å; V95-N101 WeakPolarHBondContact CA-O 3.25Å; V95-K102 HydrophobicContact CG2-CG 4.38Å
96Y97.8Very high87.3Confident6 Ų653.1 Ų53.12%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-146.3161.6-179.487.5-85000111.7G100 N101 L103 P154 D155 D170 D173 C174 W177Y96-G100 CarbonylContact O-C 3.59Å; Y96-N101 HydrophobicContact CD1-CB 4.05Å; Y96-N101 WeakPolarHBondContact CD1-O 3.5Å; Y96-N101 HydrophobicContact CE1-CB 3.47Å; Y96-N101 VanDerWaalsContact CE1-CB 3.47Å; Y96-N101 PolarHBondContact N-O 3.27Å; Y96-N101 PolarHBondContact O-N 2.98Å; Y96-L103 HydrophobicContact CD1-CB 3.92Å; Y96-L103 HydrophobicContact CD1-CD2 3.62Å; Y96-L103 HydrophobicContact CD1-CG 3.92Å; Y96-L103 HydrophobicContact CD2-CD2 4.46Å; Y96-L103 HydrophobicContact CE1-CB 4.11Å; Y96-L103 HydrophobicContact CE1-CD2 4.3Å; Y96-L103 HydrophobicContact CG-CD2 3.71Å; Y96-L103 HydrophobicContact CG-CG 4.44Å; Y96-P154 HydrophobicContact CE1-CB 3.81Å; Y96-P154 WeakPolarHBondContact OH-CB 3.46Å; Y96-D155 PolarHBondContact OH-O 2.97Å; Y96-D170 VanDerWaalsContact CE2-O 3.31Å; Y96-D170 WeakPolarHBondContact CE2-O 3.39Å; Y96-D170 PolarHBondContact OH-O 3.07Å; Y96-D173 HydrophobicContact CE2-CB 4.3Å; Y96-C174 HydrophobicContact CD2-CB 4.01Å; Y96-C174 VanDerWaalsContact CE2-CA 3.46Å; Y96-C174 HydrophobicContact CE2-CB 3.47Å; Y96-C174 VanDerWaalsContact CE2-CB 3.47Å; Y96-W177 HydrophobicContact CD2-CB 4.43Å
97G95.9Very high89Confident35 Ų3552.8 Ų52.836%0.36127%0.267SS..THydrogen-bonded Turntrans68.8171.2171.500000115R99 G100G97-R99 PolarHBondContact O-N 3.47Å; G97-G100 PolarHBondContact O-N 3.25Å; G97-G100 VanDerWaalsContact O-N 3.14Å
98R95.3Very high90.2Very high117 Ų11745.6 Ų45.644%0.44224%0.237SC..THydrogen-bonded Turntrans-68.3-18.8-171.873.2-165.767.1-150.2-4.9114.5D173 V219R98-D173 VanDerWaalsContact CG-OD2 3.26Å; R98-D173 WeakPolarHBondContact CG-OD2 3.34Å; R98-D173 IonicContact CZ-OD1 3.55Å; R98-D173 IonicContact CZ-OD2 2.96Å; R98-D173 PolarHBondContact N-OD2 3.42Å; R98-D173 IonicContact NE-OD1 2.59Å; R98-D173 PolarHBondContact NE-OD1 3.35Å; R98-D173 IonicContact NE-OD2 2.76Å; R98-D173 PolarHBondContact NE-OD2 3.18Å; R98-D173 IonicContact NH2-OD1 2.76Å; R98-D173 PolarHBondContact NH2-OD1 2.65Å; R98-D173 IonicContact NH2-OD2 2.73Å; R98-V219 PolarHBondContact NH1-O 2.97Å; R98-V219 PolarHBondContact NH2-O 2.97Å
99R94.9Very high91Very high87 Ų8741.4 Ų41.433%0.32823%0.225SC..THydrogen-bonded Turntrans-95.7-0.2179.1-64.8179.6-17074.61.9113G97 N101 D170G97-R99 PolarHBondContact O-N 3.47Å; R99-N101 VanDerWaalsContact C-N 3.26Å; R99-N101 PolarHBondContact O-N 3.49Å; R99-D170 WeakPolarHBondContact CD-OD1 3.37Å; R99-D170 IonicContact CZ-OD1 3.41Å; R99-D170 IonicContact NE-OD1 3.24Å; R99-D170 IonicContact NH1-OD1 2.78Å; R99-D170 PolarHBondContact NH1-OD1 3.37Å
100G96.4Very high91.1Very high39 Ų3944.8 Ų44.840%0.40224%0.239SC..THydrogen-bonded Turntrans62.735.4-175.300000112.6Y96 G97Y96-G100 CarbonylContact O-C 3.59Å; G97-G100 PolarHBondContact O-N 3.25Å; G97-G100 VanDerWaalsContact O-N 3.14Å
101N97.6Very high90.2Very high29 Ų2948.7 Ų48.716%0.15526%0.257CS..EExtended strand (participates in β ladder)trans-64.5165.8173.1-74.9-25.1000110V95 Y96 R99 D155 D170V95-N101 CarbonylContact C-O 3.54Å; V95-N101 WeakPolarHBondContact CA-O 3.25Å; Y96-N101 HydrophobicContact CD1-CB 4.05Å; Y96-N101 WeakPolarHBondContact CD1-O 3.5Å; Y96-N101 HydrophobicContact CE1-CB 3.47Å; Y96-N101 VanDerWaalsContact CE1-CB 3.47Å; Y96-N101 PolarHBondContact N-O 3.27Å; Y96-N101 PolarHBondContact O-N 2.98Å; R99-N101 VanDerWaalsContact C-N 3.26Å; R99-N101 PolarHBondContact O-N 3.49Å; N101-D155 WeakPolarHBondContact CB-O 3.31Å; N101-D155 PolarHBondContact ND2-O 3.33Å; N101-D170 PolarHBondContact ND2-OD1 3.34Å; N101-D170 VanDerWaalsContact ND2-OD1 3.17Å; N101-D170 PolarHBondContact ND2-OD2 2.97Å
102K98Very high88.7Confident98 Ų9851.8 Ų51.843%0.42628%0.278SS..EExtended strand (participates in β ladder)trans-117144-178.2-67.6-177.8-177.2-178.70110.6I94 V95 D155I94-K102 CarbonylContact O-C 3.59Å; I94-K102 VanDerWaalsContact O-CA 3.28Å; I94-K102 WeakPolarHBondContact O-CA 3.29Å; V95-K102 HydrophobicContact CG2-CG 4.38Å; K102-D155 WeakPolarHBondContact O-CB 3.44Å; K102-D155 PolarHBondContact O-N 2.78Å
103L97.9Very high87.3Confident0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-126156.6171.164.582000110.6G93 I94 Y96 L105 V152 C153 P154 W177G93-L103 PolarHBondContact N-O 3.25Å; G93-L103 VanDerWaalsContact N-O 3.12Å; I94-L103 HydrophobicContact CB-CD1 3.76Å; I94-L103 HydrophobicContact CB-CG 4.13Å; I94-L103 HydrophobicContact CD1-CD1 3.8Å; I94-L103 HydrophobicContact CG1-CD1 4.32Å; I94-L103 HydrophobicContact CG2-CD1 4.29Å; I94-L103 PolarHBondContact N-O 3.09Å; I94-L103 PolarHBondContact O-N 2.87Å; Y96-L103 HydrophobicContact CD1-CB 3.92Å; Y96-L103 HydrophobicContact CD1-CD2 3.62Å; Y96-L103 HydrophobicContact CD1-CG 3.92Å; Y96-L103 HydrophobicContact CD2-CD2 4.46Å; Y96-L103 HydrophobicContact CE1-CB 4.11Å; Y96-L103 HydrophobicContact CE1-CD2 4.3Å; Y96-L103 HydrophobicContact CG-CD2 3.71Å; Y96-L103 HydrophobicContact CG-CG 4.44Å; L103-L105 HydrophobicContact CD1-CB 4.48Å; L103-V152 HydrophobicContact CB-CG1 4.04Å; L103-V152 HydrophobicContact CD1-CG1 4.08Å; L103-V152 HydrophobicContact CD2-CG1 3.94Å; L103-V152 HydrophobicContact CG-CG1 4.25Å; L103-C153 WeakPolarHBondContact CA-O 3.3Å; L103-P154 HydrophobicContact CB-CB 4.13Å; L103-W177 HydrophobicContact CD1-CH2 3.8Å; L103-W177 HydrophobicContact CD1-CZ2 4.14Å; L103-W177 HydrophobicContact CD1-CZ3 4.05Å; L103-W177 HydrophobicContact CD2-CD2 3.69Å; L103-W177 HydrophobicContact CD2-CE3 3.49Å; L103-W177 VanDerWaalsContact CD2-CE3 3.49Å; L103-W177 HydrophobicContact CD2-CG 4.37Å; L103-W177 HydrophobicContact CD2-CH2 4.13Å; L103-W177 HydrophobicContact CD2-CZ2 4.29Å; L103-W177 HydrophobicContact CD2-CZ3 3.73Å
104D96.4Very high86.3Confident0 Ų060.1 Ų60.10%032%0.323CS..EExtended strand (participates in β ladder)trans-114.1136.7167.7-75.76.2000108.7Y80 K90 K91 K92 G93 Y106 R133 V152 C153Y80-D104 WeakPolarHBondContact CE2-OD2 3.43Å; Y80-D104 PolarHBondContact OH-OD2 3.2Å; K90-D104 WeakPolarHBondContact CE-OD2 3.49Å; K90-D104 IonicContact NZ-OD2 2.81Å; K90-D104 PolarHBondContact NZ-OD2 2.94Å; K91-D104 WeakPolarHBondContact O-CA 3.43Å; K92-D104 WeakPolarHBondContact CA-OD1 3.45Å; G93-D104 PolarHBondContact N-OD1 3.38Å; D104-Y106 HydrophobicContact CB-CE2 3.6Å; D104-R133 IonicContact OD1-CZ 3.64Å; D104-R133 IonicContact OD1-NE 3.81Å; D104-R133 PolarHBondContact OD1-NE 3.48Å; D104-R133 IonicContact OD1-NH2 2.62Å; D104-R133 IonicContact OD2-NE 3.56Å; D104-V152 WeakPolarHBondContact O-CA 3.34Å; D104-C153 PolarHBondContact N-O 2.9Å; D104-C153 VanDerWaalsContact N-O 3.07Å; D104-C153 PolarHBondContact O-N 3.2Å
105L96.2Very high85.7Confident0 Ų066.1 Ų66.10%035%0.351CS..EExtended strand (participates in β ladder)trans-113.9134.2179.2172.364.4000109.7K90 K91 I94 L103 Y107 A150 V151 V152 F185 F187K90-L105 CarbonylContact C-O 3.41Å; K90-L105 VanDerWaalsContact CA-O 3.26Å; K90-L105 WeakPolarHBondContact CA-O 3.35Å; K91-L105 HydrophobicContact CB-CB 4.48Å; K91-L105 PolarHBondContact N-O 3.03Å; K91-L105 PolarHBondContact O-N 3.43Å; I94-L105 HydrophobicContact CD1-CB 4.14Å; L103-L105 HydrophobicContact CD1-CB 4.48Å; L105-Y107 HydrophobicContact CD2-CE1 4.04Å; L105-Y107 HydrophobicContact CD2-CE2 3.93Å; L105-Y107 VanDerWaalsContact CD2-CZ 3.41Å; L105-Y107 WeakPolarHBondContact CD2-OH 3.44Å; L105-Y107 HydrophobicContact CG-CE1 4.27Å; L105-Y107 HydrophobicContact CG-CE2 3.96Å; L105-A150 HydrophobicContact CD1-CB 4.3Å; L105-V151 CarbonylContact C-O 3.5Å; L105-V151 WeakPolarHBondContact CA-O 3.43Å; L105-V152 HydrophobicContact CB-CG2 4.29Å; L105-V152 HydrophobicContact CD1-CG2 3.46Å; L105-V152 VanDerWaalsContact CD1-CG2 3.46Å; L105-V152 HydrophobicContact CG-CG2 4.41Å; L105-F185 HydrophobicContact CD2-CB 3.73Å; L105-F185 HydrophobicContact CD2-CD1 3.64Å; L105-F185 HydrophobicContact CD2-CG 4Å; L105-F187 HydrophobicContact CD1-CD1 4.26Å; L105-F187 HydrophobicContact CD1-CE1 4.45Å; L105-F187 HydrophobicContact CD2-CD1 4.28Å; L105-F187 HydrophobicContact CD2-CE1 4.21Å
106Y94.8Very high85.3Confident2 Ų265.8 Ų65.81%0.00835%0.345CS..EExtended strand (participates in β ladder)trans-123.1142.7-177.1-57.3-106.3000109.8W79 C89 K90 D104 C137 A140 A150 V151 C153W79-Y106 HydrophobicContact CH2-CD1 4.11Å; W79-Y106 AromaticContact CH2-CE1 3.67Å; W79-Y106 HydrophobicContact CH2-CE1 3.67Å; W79-Y106 AromaticContact CZ3-CE1 3.8Å; W79-Y106 HydrophobicContact CZ3-CE1 3.8Å; C89-Y106 WeakPolarHBondContact O-CA 3.36Å; K90-Y106 HydrophobicContact CB-CD1 4.29Å; K90-Y106 HydrophobicContact CD-CD1 3.98Å; K90-Y106 HydrophobicContact CD-CE1 3.44Å; K90-Y106 VanDerWaalsContact CD-CE1 3.44Å; K90-Y106 WeakPolarHBondContact CE-OH 3.4Å; K90-Y106 HydrophobicContact CG-CD1 3.98Å; K90-Y106 HydrophobicContact CG-CE1 3.92Å; K90-Y106 HydrophobicContact CG-CG 4.45Å; K90-Y106 PolarHBondContact NZ-OH 3.49Å; D104-Y106 HydrophobicContact CB-CE2 3.6Å; Y106-C137 HydrophobicContact CE1-CB 4.19Å; Y106-C137 VanDerWaalsContact OH-CA 3.29Å; Y106-C137 WeakPolarHBondContact OH-CA 3.29Å; Y106-C137 WeakPolarHBondContact OH-CB 3.16Å; Y106-A140 HydrophobicContact CD1-CB 4.15Å; Y106-A140 HydrophobicContact CD2-CB 3.6Å; Y106-A140 HydrophobicContact CE1-CB 4.09Å; Y106-A140 HydrophobicContact CE2-CB 3.58Å; Y106-A140 HydrophobicContact CG-CB 3.92Å; Y106-A150 WeakPolarHBondContact O-CA 3.41Å; Y106-V151 WeakPolarHBondContact CD2-O 3.41Å; Y106-V151 PolarHBondContact N-O 2.9Å; Y106-V151 PolarHBondContact O-N 2.94Å; Y106-C153 HydrophobicContact CE2-CB 4.45Å
107Y91.4Very high85.2Confident31 Ų3166 Ų6612%0.12235%0.347CS..  trans-124.1145.8-173.7-65.3-76.8000112.6C89 K91 L105 T144 F185C89-Y107 PolarHBondContact O-N 2.98Å; K91-Y107 HydrophobicContact CD-CE2 4.08Å; K91-Y107 HydrophobicContact CG-CE2 4.24Å; K91-Y107 PolarHBondContact NZ-OH 3.39Å; L105-Y107 HydrophobicContact CD2-CE1 4.04Å; L105-Y107 HydrophobicContact CD2-CE2 3.93Å; L105-Y107 VanDerWaalsContact CD2-CZ 3.41Å; L105-Y107 WeakPolarHBondContact CD2-OH 3.44Å; L105-Y107 HydrophobicContact CG-CE1 4.27Å; L105-Y107 HydrophobicContact CG-CE2 3.96Å; Y107-T144 WeakPolarHBondContact O-CG2 3.34Å; Y107-F185 WeakPolarHBondContact CE1-O 3.5Å; Y107-F185 VanDerWaalsContact CZ-O 3.24Å; Y107-F185 PolarHBondContact OH-O 3.43Å
108P85.1Confident85.2Confident10 Ų1065.4 Ų65.47%0.06534%0.337CS..  trans-58.8145.7177.423.1-31.5000110.2I110 Q111 T144P108-I110 PolarHBondContact O-N 2.87Å; P108-Q111 HydrophobicContact CG-CG 4.22Å; P108-T144 HydrophobicContact CB-CG2 4.14Å
109P70.6Confident85.3Confident78 Ų7859.8 Ų59.851%0.50632%0.316SS..SBendtrans-62.5-16.2-172.2-21.831.4000115.1E145P109-E145 HydrophobicContact CG-CG 3.8Å
110I65.4Low85.5Confident114 Ų11455.7 Ų55.759%0.58530%0.3SS*.  trans-151.8122.6-176.9-56.5176.3000108.7P108 N112P108-I110 PolarHBondContact O-N 2.87Å; I110-N112 HydrophobicContact CG2-CB 4.39Å
111Q58.7Low85.6Confident85 Ų8553.8 Ų53.840%0.39728%0.281SS..  trans-108.397164.3-76.9176.8-1.800107.6P108 P117P108-Q111 HydrophobicContact CG-CG 4.22Å; Q111-P117 VanDerWaalsContact NE2-CD 3.29Å; Q111-P117 VanDerWaalsContact NE2-CG 3.32Å
112N53.8Low85.7Confident152 Ų15252.4 Ų52.481%0.81327%0.274SS*.  trans-91.713.4172.7-83.5-17.3000112.1I110I110-N112 HydrophobicContact CG2-CB 4.39Å
113T60.8Low85.7Confident85 Ų8547.8 Ų47.852%0.52125%0.254SS..SBendtrans-129.6140.3-175.353.60000108.9E115T113-E115 PolarHBondContact O-N 3.4Å; T113-E115 VanDerWaalsContact O-N 3.14Å
114D70.3Confident85.7Confident178 Ų17847.9 Ų47.995%0.95225%0.254SS*.SBendtrans-68.1-3.6171.8-69.2-38.9000112.6
115E83.9Confident85.7Confident154 Ų15448 Ų4872%0.7226%0.255SS*.SBendtrans-77.4134.5178.8-65.6-174.9178.100112.3T113T113-E115 PolarHBondContact O-N 3.4Å; T113-E115 VanDerWaalsContact O-N 3.14Å
116L91.1Very high85.5Confident81 Ų8148.9 Ų48.942%0.42426%0.264SS..PPolyproline II helixtrans-75.4130.2176.2-65.7176.1000109.9D188L116-D188 HydrophobicContact CB-CB 4.06Å
117P94Very high85.5Confident10 Ų1050.8 Ų50.87%0.06528%0.28CS..PPolyproline II helixtrans-69.4146.2-179.430.3-38.3000110.9Q111 A150 S186 F187 D188Q111-P117 VanDerWaalsContact NE2-CD 3.29Å; Q111-P117 VanDerWaalsContact NE2-CG 3.32Å; P117-A150 HydrophobicContact CG-CB 4.14Å; P117-S186 WeakPolarHBondContact CD-O 3.25Å; P117-F187 HydrophobicContact CG-CB 4.42Å; P117-D188 PolarHBondContact O-N 2.85Å
118P96.5Very high85.8Confident23 Ų2349.4 Ų49.415%0.14928%0.275CS..EExtended strand (participates in β ladder)trans-57.9156.2170.727.8-36.4000111A149 A150 N191 F361 L365P118-A149 HydrophobicContact CG-CB 4.09Å; P118-A149 WeakPolarHBondContact O-CA 3.2Å; P118-A149 WeakPolarHBondContact O-CB 3.31Å; P118-A150 PolarHBondContact O-N 2.85Å; P118-N191 HydrophobicContact CB-CB 4.18Å; P118-F361 HydrophobicContact CB-CZ 3.98Å; P118-F361 HydrophobicContact CG-CE1 4.02Å; P118-F361 HydrophobicContact CG-CZ 3.68Å; P118-L365 HydrophobicContact CB-CD1 3.79Å; P118-L365 HydrophobicContact CB-CD2 3.95Å; P118-L365 HydrophobicContact CG-CD1 3.65Å
119L98.1Very high86.2Confident0 Ų050.8 Ų50.80%029%0.285CS..EExtended strand (participates in β ladder)trans-103.7128.7-179179.769000111.5V121 A150 V152 A178 F187 N191 I192 V193L119-V121 HydrophobicContact CD2-CG2 3.94Å; L119-V121 HydrophobicContact CG-CG2 4.22Å; L119-A150 HydrophobicContact CD1-CB 4.09Å; L119-V152 HydrophobicContact CD1-CB 4.23Å; L119-V152 HydrophobicContact CD1-CG2 3.68Å; L119-A178 HydrophobicContact CD2-CB 3.59Å; L119-F187 HydrophobicContact CB-CD2 4.01Å; L119-F187 HydrophobicContact CD1-CD1 4.5Å; L119-F187 HydrophobicContact CD1-CD2 4.19Å; L119-F187 HydrophobicContact CD1-CE2 4.42Å; L119-F187 HydrophobicContact CD1-CG 4.24Å; L119-F187 HydrophobicContact CD2-CD2 3.98Å; L119-F187 HydrophobicContact CD2-CE2 3.67Å; L119-F187 HydrophobicContact CD2-CZ 4.21Å; L119-F187 HydrophobicContact CG-CD2 4.28Å; L119-F187 HydrophobicContact CG-CE2 4.43Å; L119-N191 PolarHBondContact N-O 3.47Å; L119-I192 HydrophobicContact CB-CG1 4.28Å; L119-I192 HydrophobicContact CD2-CD1 4.19Å; L119-I192 HydrophobicContact CD2-CG1 4.19Å; L119-I192 HydrophobicContact CD2-CG2 4.38Å; L119-I192 CarbonylContact O-C 3.55Å; L119-I192 VanDerWaalsContact O-CA 3.29Å; L119-I192 WeakPolarHBondContact O-CA 3.42Å; L119-V193 PolarHBondContact O-N 2.87Å
120V98.7Very high87.3Confident0 Ų051 Ų510%029%0.285CS..EExtended strand (participates in β ladder)trans-100.9125.2163.3174.30000109.8M143 L147 A149 A150 V151 V152 V193 V195 F361V120-M143 HydrophobicContact CB-SD 4.44Å; V120-M143 HydrophobicContact CG1-SD 3.55Å; V120-M143 VanDerWaalsContact CG1-SD 3.55Å; V120-L147 HydrophobicContact CG2-CD1 4.01Å; V120-A149 HydrophobicContact CG2-CB 4.06Å; V120-A150 PolarHBondContact N-O 3.18Å; V120-V151 HydrophobicContact CB-CG2 4.03Å; V120-V151 HydrophobicContact CG1-CG2 4.5Å; V120-V151 CarbonylContact O-C 3.57Å; V120-V151 WeakPolarHBondContact O-CA 3.46Å; V120-V152 PolarHBondContact O-N 3.14Å; V120-V193 WeakPolarHBondContact CA-O 3.23Å; V120-V195 HydrophobicContact CG1-CB 3.98Å; V120-V195 HydrophobicContact CG1-CG2 3.53Å; V120-F361 HydrophobicContact CG2-CD2 4.16Å; V120-F361 HydrophobicContact CG2-CE2 3.45Å; V120-F361 VanDerWaalsContact CG2-CE2 3.45Å; V120-F361 HydrophobicContact CG2-CZ 4Å
121V98.8Very high88.6Confident0 Ų047 Ų470%027%0.271CS..EExtended strand (participates in β ladder)trans-98.8103.4167.8-178.60000108.1L119 I123 P154 L175 I192 V193 L194 V195L119-V121 HydrophobicContact CD2-CG2 3.94Å; L119-V121 HydrophobicContact CG-CG2 4.22Å; V121-I123 HydrophobicContact CG1-CG1 4.27Å; V121-P154 HydrophobicContact CG1-CG 4.11Å; V121-L175 HydrophobicContact CG2-CD2 4.09Å; V121-I192 HydrophobicContact CG2-CG2 3.86Å; V121-V193 PolarHBondContact N-O 3.45Å; V121-L194 HydrophobicContact CB-CD2 3.8Å; V121-L194 HydrophobicContact CG1-CD2 4.3Å; V121-L194 HydrophobicContact CG2-CD2 4.36Å; V121-V195 PolarHBondContact O-N 2.99Å
122F98.8Very high90.2Very high0 Ų046.2 Ų46.20%027%0.267CS..EExtended strand (participates in β ladder)trans-87.6110.1179.8-177.8-96.1000111.7Y136 L139 M143 V151 V152 P154 V195 M238F122-Y136 HydrophobicContact CD1-CG 4.48Å; F122-Y136 AromaticContact CE1-CD1 3.4Å; F122-Y136 HydrophobicContact CE1-CD1 3.4Å; F122-Y136 HydrophobicContact CE1-CE1 4.01Å; F122-Y136 AromaticContact CE1-CG 3.7Å; F122-Y136 HydrophobicContact CE1-CG 3.7Å; F122-Y136 AromaticContact CZ-CD1 3.84Å; F122-Y136 HydrophobicContact CZ-CD1 3.84Å; F122-Y136 HydrophobicContact CZ-CE1 4.23Å; F122-L139 HydrophobicContact CD1-CD2 4.16Å; F122-L139 HydrophobicContact CD2-CD2 3.71Å; F122-L139 HydrophobicContact CE1-CD1 4.44Å; F122-L139 HydrophobicContact CE1-CD2 4.07Å; F122-L139 HydrophobicContact CE2-CD1 4.02Å; F122-L139 HydrophobicContact CE2-CD2 3.59Å; F122-L139 HydrophobicContact CG-CD2 4Å; F122-L139 HydrophobicContact CZ-CD1 3.75Å; F122-L139 HydrophobicContact CZ-CD2 3.78Å; F122-L139 HydrophobicContact CZ-CG 4.45Å; F122-M143 HydrophobicContact CD2-CE 4.02Å; F122-M143 HydrophobicContact CD2-SD 4.27Å; F122-M143 HydrophobicContact CE2-CE 4.43Å; F122-V151 HydrophobicContact CB-CG1 4.11Å; F122-V152 PolarHBondContact N-O 3.18Å; F122-P154 WeakPolarHBondContact O-CD 3.42Å; F122-V195 CarbonylContact C-O 3.55Å; F122-V195 VanDerWaalsContact CA-O 3.25Å; F122-V195 WeakPolarHBondContact CA-O 3.44Å; F122-V195 HydrophobicContact CD2-CB 4.2Å; F122-V195 HydrophobicContact CD2-CG1 3.99Å; F122-V195 HydrophobicContact CE2-CG1 4.32Å; F122-M238 HydrophobicContact CE2-CE 3.8Å
123I98.8Very high92.2Very high0 Ų040 Ų400%023%0.232CC..EExtended strand (participates in β ladder)trans-99.2111.4-177.6-49.3167.5000109.1V121 Y156 I171 V195 G196 H197 L203 G204V121-I123 HydrophobicContact CG1-CG1 4.27Å; I123-Y156 HydrophobicContact CG2-CD1 4.36Å; I123-Y156 HydrophobicContact CG2-CE1 3.92Å; I123-I171 HydrophobicContact CD1-CD1 4.42Å; I123-I171 HydrophobicContact CD1-CG1 4.36Å; I123-I171 HydrophobicContact CD1-CG2 3.61Å; I123-I171 HydrophobicContact CG1-CD1 4.22Å; I123-I171 HydrophobicContact CG1-CG2 4.34Å; I123-I171 HydrophobicContact CG2-CD1 3.8Å; I123-I171 HydrophobicContact CG2-CG1 4.3Å; I123-V195 PolarHBondContact N-O 3.03Å; I123-G196 VanDerWaalsContact O-CA 3.31Å; I123-G196 WeakPolarHBondContact O-CA 3.49Å; I123-H197 PolarHBondContact O-N 3.41Å; I123-L203 HydrophobicContact CG2-CB 4.22Å; I123-L203 HydrophobicContact CG2-CD1 4.45Å; I123-G204 VanDerWaalsContact CD1-CA 3.45Å
124Y98.2Very high93.7Very high3 Ų337.2 Ų37.21%0.01222%0.216CC..  trans-71.2159.7-175.456.7-108.9000114.1Y136 P154 D155 Y156 G200Y124-Y136 HydrophobicContact CD1-CD2 4.27Å; Y124-Y136 HydrophobicContact CD1-CE2 4.35Å; Y124-Y136 HydrophobicContact CD2-CE2 4.34Å; Y124-Y136 HydrophobicContact CG-CD2 4.09Å; Y124-Y136 AromaticContact CG-CE2 3.76Å; Y124-Y136 HydrophobicContact CG-CE2 3.76Å; Y124-P154 WeakPolarHBondContact CE1-O 3.43Å; Y124-D155 WeakPolarHBondContact OH-CA 3.43Å; Y124-D155 PolarHBondContact OH-OD1 2.87Å; Y124-Y156 HydrophobicContact CD1-CE1 4.25Å; Y124-Y156 AromaticContact CD2-CE1 3.6Å; Y124-Y156 HydrophobicContact CD2-CE1 3.6Å; Y124-Y156 AromaticContact CD2-CZ 3.63Å; Y124-Y156 WeakPolarHBondContact CD2-OH 3.25Å; Y124-Y156 HydrophobicContact CE1-CD1 4.32Å; Y124-Y156 HydrophobicContact CE1-CE1 4.04Å; Y124-Y156 HydrophobicContact CE2-CD1 4.15Å; Y124-Y156 AromaticContact CE2-CE1 3.35Å; Y124-Y156 HydrophobicContact CE2-CE1 3.35Å; Y124-Y156 HydrophobicContact CE2-CE2 4.08Å; Y124-Y156 AromaticContact CE2-CZ 3.31Å; Y124-Y156 VanDerWaalsContact CE2-OH 3.27Å; Y124-Y156 WeakPolarHBondContact CE2-OH 3.44Å; Y124-Y156 HydrophobicContact CG-CE1 4.04Å; Y124-Y156 AromaticContact CZ-CD1 3.92Å; Y124-Y156 AromaticContact CZ-CE1 3.56Å; Y124-Y156 AromaticContact CZ-CZ 3.94Å; Y124-Y156 PolarHBondContact O-OH 2.92Å; Y124-Y156 PolarHBondContact OH-N 3.39Å; Y124-G200 WeakPolarHBondContact O-CA 3.41Å; Y124-G200 PolarHBondContact O-N 3.5Å
125G95.9Very high94.8Very high1 Ų132.3 Ų32.31%0.0119%0.189CC..  trans-89.6-177.9169.800000112.9Y136 H197G125-Y136 PolarHBondContact N-OH 3.47Å; G125-Y136 PolarHBondContact O-OH 3.18Å; G125-H197 WeakPolarHBondContact CA-O 3.29Å; G125-H197 PolarHBondContact N-O 3.48Å
126G92.6Very high95.4Very high19 Ų1926 Ų2620%0.19616%0.159CC..SBendtrans14430.5179.700000113.8W128 S129 T130G126-W128 PolarHBondContact O-N 3.45Å; G126-W128 VanDerWaalsContact O-N 3.09Å; G126-S129 PolarHBondContact O-N 2.86Å; G126-S129 VanDerWaalsContact O-N 3.12Å; G126-T130 WeakPolarHBondContact CA-O 3.48Å; G126-T130 WeakPolarHBondContact CA-OG1 3.19Å; G126-T130 PolarHBondContact O-N 2.7Å; G126-T130 PolarHBondContact O-OG1 2.9Å
127A93.6Very high95.5Very high42 Ų4222.2 Ų22.235%0.34714%0.139SC..THydrogen-bonded Turntrans46.242.5-179.400000113S129 C261A127-S129 PolarHBondContact O-N 3.48Å; A127-S129 PolarHBondContact O-OG 2.85Å; A127-C261 PolarHBondContact O-SG 3.19Å
128W97.6Very high95.5Very high3 Ų322.3 Ų22.31%0.01114%0.139CC..THydrogen-bonded Turntrans583.1179.3-50.2-86.3000116.7G126 Y159 V164 M167 A199 H202 V241 I244 M262 A265 M266G126-W128 PolarHBondContact O-N 3.45Å; G126-W128 VanDerWaalsContact O-N 3.09Å; W128-Y159 PolarHBondContact O-N 2.77Å; W128-V164 HydrophobicContact CG-CG2 4.28Å; W128-M167 HydrophobicContact CB-CE 4.05Å; W128-M167 HydrophobicContact CB-SD 3.87Å; W128-M167 HydrophobicContact CG-SD 4.28Å; W128-M167 WeakPolarHBondContact O-CE 3.36Å; W128-A199 HydrophobicContact CD2-CB 3.78Å; W128-A199 HydrophobicContact CE3-CB 4.39Å; W128-A199 HydrophobicContact CG-CB 3.96Å; W128-A199 HydrophobicContact CZ2-CB 4.14Å; W128-H202 AromaticContact CE2-ND1 3.79Å; W128-H202 HydrophobicContact CZ2-CB 4.26Å; W128-H202 AromaticContact CZ2-ND1 3.89Å; W128-H202 AromaticContact NE1-CE1 3.82Å; W128-H202 AromaticContact NE1-CG 3.98Å; W128-H202 AromaticContact NE1-ND1 3.09Å; W128-H202 PolarHBondContact NE1-ND1 2.8Å; W128-V241 HydrophobicContact CH2-CB 4.35Å; W128-V241 HydrophobicContact CH2-CG1 4.46Å; W128-V241 HydrophobicContact CH2-CG2 4.08Å; W128-V241 HydrophobicContact CZ2-CB 4.38Å; W128-V241 HydrophobicContact CZ2-CG2 4.46Å; W128-I244 HydrophobicContact CH2-CD1 4.34Å; W128-I244 HydrophobicContact CZ2-CD1 4.1Å; W128-M262 HydrophobicContact CE3-CB 3.97Å; W128-M262 HydrophobicContact CE3-CG 3.97Å; W128-M262 HydrophobicContact CH2-CG 3.95Å; W128-M262 HydrophobicContact CH2-SD 3.85Å; W128-M262 HydrophobicContact CZ3-CB 3.74Å; W128-M262 HydrophobicContact CZ3-CG 3.52Å; W128-M262 HydrophobicContact CZ3-SD 3.83Å; W128-A265 HydrophobicContact CB-CB 4.14Å; W128-M266 HydrophobicContact CZ2-CE 4.17Å
129S95Very high95.5Very high38 Ų3821.2 Ų21.227%0.26613%0.132SC..THydrogen-bonded Turntrans-121.9-21.3-177.743.10000114G126 A127 T158 C261G126-S129 PolarHBondContact O-N 2.86Å; G126-S129 VanDerWaalsContact O-N 3.12Å; A127-S129 PolarHBondContact O-N 3.48Å; A127-S129 PolarHBondContact O-OG 2.85Å; S129-T158 WeakPolarHBondContact O-CB 3.37Å; S129-T158 PolarHBondContact O-OG1 3.3Å; S129-C261 WeakPolarHBondContact CB-SG 3.4Å; S129-C261 PolarHBondContact OG-SG 3.15Å
130T92.6Very high95.4Very high84 Ų8421.2 Ų21.252%0.51513%0.132SC..  trans-131.5175.3-173.864.70000110.8G126G126-T130 WeakPolarHBondContact CA-O 3.48Å; G126-T130 WeakPolarHBondContact CA-OG1 3.19Å; G126-T130 PolarHBondContact O-N 2.7Å; G126-T130 PolarHBondContact O-OG1 2.9Å
131G91.9Very high95.2Very high28 Ų2825.9 Ų25.929%0.28915%0.15SC..  trans109.2156.6-176.600000112
132H93.6Very high95Very high70 Ų7026.7 Ų26.732%0.32415%0.154SC..  trans-162.7142.2176.9-174.8-98.6000108.2S134 I135 Y136 D155H132-S134 VanDerWaalsContact ND1-CB 3.32Å; H132-S134 WeakPolarHBondContact ND1-CB 3.44Å; H132-S134 PolarHBondContact ND1-N 2.88Å; H132-S134 PolarHBondContact ND1-OG 2.93Å; H132-S134 PolarHBondContact O-N 2.7Å; H132-I135 HydrophobicContact CB-CD1 4.35Å; H132-I135 WeakPolarHBondContact O-CB 3.23Å; H132-I135 PolarHBondContact O-N 3.37Å; H132-Y136 WeakPolarHBondContact O-CD2 3.16Å; H132-D155 WeakPolarHBondContact CA-OD1 3.16Å; H132-D155 IonicContact CD2-OD1 3.85Å; H132-D155 IonicContact CD2-OD2 3.95Å; H132-D155 IonicContact CG-OD1 3.62Å; H132-D155 IonicContact NE2-OD2 3.68Å; H132-D155 PolarHBondContact NE2-OD2 2.72Å
133R94.8Very high94.9Very high21 Ų2126.7 Ų26.78%0.07915%0.154CC..G310 helixtrans-52.1-30.8-177.769.4-171.9-165.6-74.5-6.8113.9Y80 D104 I135 Y136 C153 D155Y80-R133 PolarHBondContact OH-NH2 3.09Å; D104-R133 IonicContact OD1-CZ 3.64Å; D104-R133 IonicContact OD1-NE 3.81Å; D104-R133 PolarHBondContact OD1-NE 3.48Å; D104-R133 IonicContact OD1-NH2 2.62Å; D104-R133 IonicContact OD2-NE 3.56Å; R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact O-N 3.34Å; R133-Y136 PolarHBondContact O-N 2.96Å; R133-C153 HydrophobicContact CB-CB 4.28Å; R133-C153 WeakPolarHBondContact CB-O 3.46Å; R133-D155 WeakPolarHBondContact CB-OD1 3.29Å; R133-D155 WeakPolarHBondContact CD-OD2 3.46Å; R133-D155 IonicContact CZ-OD2 3.8Å; R133-D155 PolarHBondContact N-OD1 3.44Å; R133-D155 IonicContact NE-OD2 3.39Å; R133-D155 IonicContact NH1-OD2 3.52Å; R133-D155 PolarHBondContact NH1-OD2 3.47Å
134S93.6Very high94.7Very high26 Ų2626.9 Ų26.918%0.18215%0.154CC..G310 helixtrans-65.8-27.2-179.970.70000114.3I76 H132 Y136 C137I76-S134 WeakPolarHBondContact CG2-O 3.33Å; H132-S134 VanDerWaalsContact ND1-CB 3.32Å; H132-S134 WeakPolarHBondContact ND1-CB 3.44Å; H132-S134 PolarHBondContact ND1-N 2.88Å; H132-S134 PolarHBondContact ND1-OG 2.93Å; H132-S134 PolarHBondContact O-N 2.7Å; S134-Y136 PolarHBondContact O-N 3.21Å; S134-C137 PolarHBondContact O-SG 2.99Å
135I93.1Very high94.4Very high76 Ų7630.2 Ų30.239%0.3917%0.17SC..G310 helixtrans-67.9-30.2-179.2-61.6172.3000110.2H132 R133 M343H132-I135 HydrophobicContact CB-CD1 4.35Å; H132-I135 WeakPolarHBondContact O-CB 3.23Å; H132-I135 PolarHBondContact O-N 3.37Å; R133-I135 VanDerWaalsContact C-N 3.27Å; R133-I135 PolarHBondContact O-N 3.34Å; I135-M343 WeakPolarHBondContact O-CE 2.92Å
136Y95.3Very high94.4Very high22 Ų2232.9 Ų32.99%0.08618%0.183CC..G310 helixtrans-99.413.6-172.1-60.8-91000113.1F122 Y124 G125 H132 R133 S134 L138 L139 A140 V339 M343F122-Y136 HydrophobicContact CD1-CG 4.48Å; F122-Y136 AromaticContact CE1-CD1 3.4Å; F122-Y136 HydrophobicContact CE1-CD1 3.4Å; F122-Y136 HydrophobicContact CE1-CE1 4.01Å; F122-Y136 AromaticContact CE1-CG 3.7Å; F122-Y136 HydrophobicContact CE1-CG 3.7Å; F122-Y136 AromaticContact CZ-CD1 3.84Å; F122-Y136 HydrophobicContact CZ-CD1 3.84Å; F122-Y136 HydrophobicContact CZ-CE1 4.23Å; Y124-Y136 HydrophobicContact CD1-CD2 4.27Å; Y124-Y136 HydrophobicContact CD1-CE2 4.35Å; Y124-Y136 HydrophobicContact CD2-CE2 4.34Å; Y124-Y136 HydrophobicContact CG-CD2 4.09Å; Y124-Y136 AromaticContact CG-CE2 3.76Å; Y124-Y136 HydrophobicContact CG-CE2 3.76Å; G125-Y136 PolarHBondContact N-OH 3.47Å; G125-Y136 PolarHBondContact O-OH 3.18Å; H132-Y136 WeakPolarHBondContact O-CD2 3.16Å; R133-Y136 PolarHBondContact O-N 2.96Å; S134-Y136 PolarHBondContact O-N 3.21Å; Y136-L138 PolarHBondContact O-N 3.41Å; Y136-L139 HydrophobicContact CD1-CD1 4.48Å; Y136-L139 PolarHBondContact O-N 3.07Å; Y136-A140 WeakPolarHBondContact O-CB 3.11Å; Y136-A140 PolarHBondContact O-N 3.22Å; Y136-V339 HydrophobicContact CD1-CG1 4.01Å; Y136-V339 HydrophobicContact CE1-CG1 3.69Å; Y136-M343 HydrophobicContact CD1-CE 4.09Å
137C94Very high94.5Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-65.1-36.4-17462.60000114.4W79 Y80 Y106 S134 R141W79-C137 HydrophobicContact CE3-CB 3.76Å; W79-C137 VanDerWaalsContact CE3-SG 3.59Å; W79-C137 HydrophobicContact CZ3-CB 3.63Å; Y80-C137 HydrophobicContact CD2-CB 3.74Å; Y80-C137 HydrophobicContact CE2-CB 4.45Å; Y106-C137 HydrophobicContact CE1-CB 4.19Å; Y106-C137 VanDerWaalsContact OH-CA 3.29Å; Y106-C137 WeakPolarHBondContact OH-CA 3.29Å; Y106-C137 WeakPolarHBondContact OH-CB 3.16Å; S134-C137 PolarHBondContact O-SG 2.99Å; C137-R141 WeakPolarHBondContact O-CB 3.34Å; C137-R141 PolarHBondContact O-N 3.36Å
138L94.9Very high94.5Very high13 Ų1335.6 Ų35.67%0.06819%0.186CC..Hα-helixtrans-69.6-41.7174.2-66.4-177.5000111.1L72 Q75 I76 W79 Y136 R141 Q142 M343 L344L72-L138 HydrophobicContact CD1-CD1 4.05Å; Q75-L138 HydrophobicContact CB-CD1 4.28Å; I76-L138 HydrophobicContact CG1-CD1 3.71Å; I76-L138 HydrophobicContact CG1-CG 4.16Å; W79-L138 HydrophobicContact CB-CD2 3.79Å; W79-L138 HydrophobicContact CD2-CD2 3.85Å; W79-L138 HydrophobicContact CE3-CD2 4.48Å; W79-L138 HydrophobicContact CG-CD2 3.49Å; W79-L138 VanDerWaalsContact CG-CD2 3.49Å; Y136-L138 PolarHBondContact O-N 3.41Å; L138-R141 WeakPolarHBondContact O-CB 3.04Å; L138-R141 PolarHBondContact O-N 3.08Å; L138-Q142 VanDerWaalsContact O-CG 3.3Å; L138-Q142 WeakPolarHBondContact O-CG 3.28Å; L138-Q142 PolarHBondContact O-N 3.3Å; L138-M343 HydrophobicContact CB-CB 3.92Å; L138-M343 HydrophobicContact CB-CG 4.32Å; L138-M343 WeakPolarHBondContact CB-O 3.46Å; L138-L344 HydrophobicContact CD1-CD2 4.23Å
139L96.4Very high94.3Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-59.9-48.9174.6-178.8157.8000110.8F122 Y136 R141 Q142 M143 V339 L342 M343F122-L139 HydrophobicContact CD1-CD2 4.16Å; F122-L139 HydrophobicContact CD2-CD2 3.71Å; F122-L139 HydrophobicContact CE1-CD1 4.44Å; F122-L139 HydrophobicContact CE1-CD2 4.07Å; F122-L139 HydrophobicContact CE2-CD1 4.02Å; F122-L139 HydrophobicContact CE2-CD2 3.59Å; F122-L139 HydrophobicContact CG-CD2 4Å; F122-L139 HydrophobicContact CZ-CD1 3.75Å; F122-L139 HydrophobicContact CZ-CD2 3.78Å; F122-L139 HydrophobicContact CZ-CG 4.45Å; Y136-L139 HydrophobicContact CD1-CD1 4.48Å; Y136-L139 PolarHBondContact O-N 3.07Å; L139-R141 VanDerWaalsContact C-N 3.29Å; L139-R141 PolarHBondContact O-N 3.05Å; L139-Q142 PolarHBondContact O-N 3.46Å; L139-M143 HydrophobicContact CD2-CE 3.73Å; L139-M143 HydrophobicContact CD2-SD 4.32Å; L139-M143 VanDerWaalsContact O-CB 3.29Å; L139-M143 WeakPolarHBondContact O-CB 3.41Å; L139-M143 PolarHBondContact O-N 2.9Å; L139-V339 HydrophobicContact CD1-CB 4.39Å; L139-V339 HydrophobicContact CD1-CG1 3.75Å; L139-V339 HydrophobicContact CD1-CG2 4.47Å; L139-L342 HydrophobicContact CD1-CB 3.98Å; L139-L342 HydrophobicContact CD1-CD1 4.14Å; L139-L342 HydrophobicContact CG-CB 4.06Å; L139-M343 HydrophobicContact CB-CG 3.93Å
140A95.7Very high94.4Very high0 Ų033.6 Ų33.60%017%0.173CC..Hα-helixtrans-58.9-42.4179.500000111.4Y106 Y136 M143 T144 V151Y106-A140 HydrophobicContact CD1-CB 4.15Å; Y106-A140 HydrophobicContact CD2-CB 3.6Å; Y106-A140 HydrophobicContact CE1-CB 4.09Å; Y106-A140 HydrophobicContact CE2-CB 3.58Å; Y106-A140 HydrophobicContact CG-CB 3.92Å; Y136-A140 WeakPolarHBondContact O-CB 3.11Å; Y136-A140 PolarHBondContact O-N 3.22Å; A140-M143 PolarHBondContact O-N 3.49Å; A140-T144 WeakPolarHBondContact O-CB 3.18Å; A140-T144 PolarHBondContact O-N 3.05Å; A140-T144 PolarHBondContact O-OG1 3.37Å; A140-V151 HydrophobicContact CB-CB 4.49Å; A140-V151 HydrophobicContact CB-CG1 3.84Å
141R93.8Very high94.7Very high97 Ų9729.6 Ų29.637%0.36615%0.149SC..Hα-helixtrans-59.1-51.2173.5178-169.3170.1168.54.7112.1W79 C137 L138 L139 M143 T144 E145W79-R141 HydrophobicContact CZ2-CB 4.33Å; W79-R141 HydrophobicContact CZ2-CG 4.36Å; W79-R141 VanDerWaalsContact NE1-NH1 3.19Å; C137-R141 WeakPolarHBondContact O-CB 3.34Å; C137-R141 PolarHBondContact O-N 3.36Å; L138-R141 WeakPolarHBondContact O-CB 3.04Å; L138-R141 PolarHBondContact O-N 3.08Å; L139-R141 VanDerWaalsContact C-N 3.29Å; L139-R141 PolarHBondContact O-N 3.05Å; R141-M143 VanDerWaalsContact C-N 3.3Å; R141-M143 PolarHBondContact O-N 3.14Å; R141-T144 WeakPolarHBondContact O-CB 3.41Å; R141-T144 PolarHBondContact O-N 2.83Å; R141-E145 IonicContact CZ-OE1 3.5Å; R141-E145 IonicContact NE-OE1 3.49Å; R141-E145 PolarHBondContact NE-OE1 2.81Å; R141-E145 IonicContact NH2-OE1 3.8Å; R141-E145 PolarHBondContact NH2-OE1 3.33Å; R141-E145 WeakPolarHBondContact O-CG 3.2Å; R141-E145 PolarHBondContact O-N 2.74Å
142Q95.1Very high95Very high18 Ų1828.3 Ų28.38%0.08414%0.135CC..Hα-helixtrans-63.4-39.6-179.1-65.7-60-81.200111.4L138 L139 T144 E145 E146 L342 Y350 F354L138-Q142 VanDerWaalsContact O-CG 3.3Å; L138-Q142 WeakPolarHBondContact O-CG 3.28Å; L138-Q142 PolarHBondContact O-N 3.3Å; L139-Q142 PolarHBondContact O-N 3.46Å; Q142-T144 VanDerWaalsContact C-N 3.31Å; Q142-T144 PolarHBondContact O-N 2.88Å; Q142-E145 PolarHBondContact NE2-OE2 3.36Å; Q142-E145 PolarHBondContact O-N 2.81Å; Q142-E146 WeakPolarHBondContact O-CB 3.31Å; Q142-E146 VanDerWaalsContact O-CG 3.29Å; Q142-E146 WeakPolarHBondContact O-CG 3.22Å; Q142-E146 PolarHBondContact O-N 2.99Å; Q142-L342 WeakPolarHBondContact CB-O 3.4Å; Q142-L342 WeakPolarHBondContact CG-O 3.47Å; Q142-Y350 HydrophobicContact CB-CE2 4.07Å; Q142-Y350 HydrophobicContact CG-CE2 3.99Å; Q142-Y350 PolarHBondContact OE1-OH 3.39Å; Q142-F354 HydrophobicContact CB-CE2 3.95Å; Q142-F354 HydrophobicContact CB-CZ 3.84Å
143M96.2Very high95.2Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-63.4-38.5176.5-174171-76.500112.3V120 F122 L139 A140 R141 L147 V151 V195 F354V120-M143 HydrophobicContact CB-SD 4.44Å; V120-M143 HydrophobicContact CG1-SD 3.55Å; V120-M143 VanDerWaalsContact CG1-SD 3.55Å; F122-M143 HydrophobicContact CD2-CE 4.02Å; F122-M143 HydrophobicContact CD2-SD 4.27Å; F122-M143 HydrophobicContact CE2-CE 4.43Å; L139-M143 HydrophobicContact CD2-CE 3.73Å; L139-M143 HydrophobicContact CD2-SD 4.32Å; L139-M143 VanDerWaalsContact O-CB 3.29Å; L139-M143 WeakPolarHBondContact O-CB 3.41Å; L139-M143 PolarHBondContact O-N 2.9Å; A140-M143 PolarHBondContact O-N 3.49Å; R141-M143 VanDerWaalsContact C-N 3.3Å; R141-M143 PolarHBondContact O-N 3.14Å; M143-L147 HydrophobicContact CG-CD1 3.48Å; M143-L147 VanDerWaalsContact CG-CD1 3.48Å; M143-L147 HydrophobicContact CG-CG 4.12Å; M143-L147 WeakPolarHBondContact O-CB 3.2Å; M143-L147 VanDerWaalsContact O-CG 3.27Å; M143-L147 WeakPolarHBondContact O-CG 3.38Å; M143-L147 PolarHBondContact O-N 3.43Å; M143-L147 HydrophobicContact SD-CD1 4.38Å; M143-V151 HydrophobicContact CB-CG2 4.06Å; M143-V151 HydrophobicContact CG-CG2 3.87Å; M143-V151 HydrophobicContact SD-CG1 4.47Å; M143-V151 HydrophobicContact SD-CG2 4.28Å; M143-V195 HydrophobicContact CE-CG1 3.91Å; M143-F354 HydrophobicContact CB-CE1 4.21Å; M143-F354 HydrophobicContact CB-CZ 4.4Å
144T94.4Very high95.4Very high3 Ų324 Ų242%0.01812%0.116CC..Hα-helixtrans-64.1-41.1173.2-75.80000112.5Y107 P108 A140 R141 Q142 D148 A149 V151Y107-T144 WeakPolarHBondContact O-CG2 3.34Å; P108-T144 HydrophobicContact CB-CG2 4.14Å; A140-T144 WeakPolarHBondContact O-CB 3.18Å; A140-T144 PolarHBondContact O-N 3.05Å; A140-T144 PolarHBondContact O-OG1 3.37Å; R141-T144 WeakPolarHBondContact O-CB 3.41Å; R141-T144 PolarHBondContact O-N 2.83Å; Q142-T144 VanDerWaalsContact C-N 3.31Å; Q142-T144 PolarHBondContact O-N 2.88Å; T144-D148 PolarHBondContact O-N 2.94Å; T144-A149 WeakPolarHBondContact CA-O 3.44Å; T144-A149 WeakPolarHBondContact CB-O 3.15Å; T144-A149 WeakPolarHBondContact CG2-O 3.35Å; T144-A149 PolarHBondContact O-N 2.89Å; T144-A149 PolarHBondContact OG1-O 3Å; T144-V151 WeakPolarHBondContact OG1-CB 3.17Å; T144-V151 WeakPolarHBondContact OG1-CG2 3.4Å
145E92.6Very high95.6Very high73 Ų7323.6 Ų23.634%0.34111%0.112SC..Hα-helixtrans-68.4-45.1177-71168.8-173.800112P109 R141 Q142P109-E145 HydrophobicContact CG-CG 3.8Å; R141-E145 IonicContact CZ-OE1 3.5Å; R141-E145 IonicContact NE-OE1 3.49Å; R141-E145 PolarHBondContact NE-OE1 2.81Å; R141-E145 IonicContact NH2-OE1 3.8Å; R141-E145 PolarHBondContact NH2-OE1 3.33Å; R141-E145 WeakPolarHBondContact O-CG 3.2Å; R141-E145 PolarHBondContact O-N 2.74Å; Q142-E145 PolarHBondContact NE2-OE2 3.36Å; Q142-E145 PolarHBondContact O-N 2.81Å
146E95.1Very high95.8Very high58 Ų5820.3 Ų20.327%0.27110%0.095SC..Hα-helixtrans-79.3-26.9-174.3-68-77.114400113.8Q142 Y350 F354Q142-E146 WeakPolarHBondContact O-CB 3.31Å; Q142-E146 VanDerWaalsContact O-CG 3.29Å; Q142-E146 WeakPolarHBondContact O-CG 3.22Å; Q142-E146 PolarHBondContact O-N 2.99Å; E146-Y350 HydrophobicContact CG-CE1 4.42Å; E146-Y350 WeakPolarHBondContact CG-OH 3.36Å; E146-Y350 PolarHBondContact OE1-OH 3.25Å; E146-Y350 VanDerWaalsContact OE1-OH 3.09Å; E146-F354 HydrophobicContact CB-CD1 3.77Å; E146-F354 HydrophobicContact CB-CE1 3.99Å; E146-F354 HydrophobicContact CB-CG 4.22Å; E146-F354 HydrophobicContact CG-CD1 3.95Å; E146-F354 HydrophobicContact CG-CD2 4.08Å; E146-F354 HydrophobicContact CG-CE1 4.14Å; E146-F354 HydrophobicContact CG-CE2 4.25Å; E146-F354 HydrophobicContact CG-CG 3.94Å; E146-F354 HydrophobicContact CG-CZ 4.29Å
147L95.1Very high95.9Very high13 Ų1320 Ų207%0.06810%0.096CC..Hα-helixtrans-103.4-6.3-177.1-56.7-175.2000113.9V120 M143 A149 I357 E358 F361V120-L147 HydrophobicContact CG2-CD1 4.01Å; M143-L147 HydrophobicContact CG-CD1 3.48Å; M143-L147 VanDerWaalsContact CG-CD1 3.48Å; M143-L147 HydrophobicContact CG-CG 4.12Å; M143-L147 WeakPolarHBondContact O-CB 3.2Å; M143-L147 VanDerWaalsContact O-CG 3.27Å; M143-L147 WeakPolarHBondContact O-CG 3.38Å; M143-L147 PolarHBondContact O-N 3.43Å; M143-L147 HydrophobicContact SD-CD1 4.38Å; L147-A149 HydrophobicContact CB-CB 3.93Å; L147-A149 PolarHBondContact O-N 3.27Å; L147-I357 HydrophobicContact CD1-CG2 4.08Å; L147-I357 HydrophobicContact CD2-CG2 4.09Å; L147-E358 HydrophobicContact CD2-CB 3.87Å; L147-E358 HydrophobicContact CD2-CG 4.23Å; L147-F361 HydrophobicContact CB-CD1 4.01Å; L147-F361 HydrophobicContact CB-CE1 3.92Å; L147-F361 HydrophobicContact CB-CZ 4.43Å; L147-F361 HydrophobicContact CD1-CD1 4.4Å; L147-F361 HydrophobicContact CD1-CD2 4.18Å; L147-F361 HydrophobicContact CD1-CE2 4.48Å; L147-F361 HydrophobicContact CD1-CG 4.14Å; L147-F361 HydrophobicContact CD2-CB 4.18Å; L147-F361 HydrophobicContact CD2-CD1 4.15Å; L147-F361 HydrophobicContact CD2-CG 4.22Å; L147-F361 HydrophobicContact CG-CD1 4.42Å; L147-F361 WeakPolarHBondContact O-CE1 3.34Å
148D93.3Very high95.9Very high104 Ų10421.5 Ų21.556%0.55611%0.105SC*.THydrogen-bonded Turntrans49.346.6-170.1-162.825.6000112.1T144T144-D148 PolarHBondContact O-N 2.94Å
149A95.1Very high95.9Very high0 Ų023.6 Ų23.60%011%0.112CC..  trans-131.5146-170.700000111.5P118 V120 T144 L147 F361P118-A149 HydrophobicContact CG-CB 4.09Å; P118-A149 WeakPolarHBondContact O-CA 3.2Å; P118-A149 WeakPolarHBondContact O-CB 3.31Å; V120-A149 HydrophobicContact CG2-CB 4.06Å; T144-A149 WeakPolarHBondContact CA-O 3.44Å; T144-A149 WeakPolarHBondContact CB-O 3.15Å; T144-A149 WeakPolarHBondContact CG2-O 3.35Å; T144-A149 PolarHBondContact O-N 2.89Å; T144-A149 PolarHBondContact OG1-O 3Å; L147-A149 HydrophobicContact CB-CB 3.93Å; L147-A149 PolarHBondContact O-N 3.27Å; A149-F361 HydrophobicContact CB-CE1 4.13Å; A149-F361 HydrophobicContact CB-CZ 3.68Å
150A96.5Very high95.9Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-67.213816500000108.8L105 Y106 P117 P118 L119 V120 F187L105-A150 HydrophobicContact CD1-CB 4.3Å; Y106-A150 WeakPolarHBondContact O-CA 3.41Å; P117-A150 HydrophobicContact CG-CB 4.14Å; P118-A150 PolarHBondContact O-N 2.85Å; L119-A150 HydrophobicContact CD1-CB 4.09Å; V120-A150 PolarHBondContact N-O 3.18Å; A150-F187 HydrophobicContact CB-CB 3.66Å; A150-F187 HydrophobicContact CB-CG 4.4Å
151V97.9Very high95.9Very high0 Ų037.4 Ų37.40%018%0.183CC..EExtended strand (participates in β ladder)trans-121.2125.9178.3178.10000109.7L105 Y106 V120 F122 A140 M143 T144L105-V151 CarbonylContact C-O 3.5Å; L105-V151 WeakPolarHBondContact CA-O 3.43Å; Y106-V151 WeakPolarHBondContact CD2-O 3.41Å; Y106-V151 PolarHBondContact N-O 2.9Å; Y106-V151 PolarHBondContact O-N 2.94Å; V120-V151 HydrophobicContact CB-CG2 4.03Å; V120-V151 HydrophobicContact CG1-CG2 4.5Å; V120-V151 CarbonylContact O-C 3.57Å; V120-V151 WeakPolarHBondContact O-CA 3.46Å; F122-V151 HydrophobicContact CB-CG1 4.11Å; A140-V151 HydrophobicContact CB-CB 4.49Å; A140-V151 HydrophobicContact CB-CG1 3.84Å; M143-V151 HydrophobicContact CB-CG2 4.06Å; M143-V151 HydrophobicContact CG-CG2 3.87Å; M143-V151 HydrophobicContact SD-CG1 4.47Å; M143-V151 HydrophobicContact SD-CG2 4.28Å; T144-V151 WeakPolarHBondContact OG1-CB 3.17Å; T144-V151 WeakPolarHBondContact OG1-CG2 3.4Å
152V98.1Very high95.9Very high1 Ų133 Ų331%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-105.8130.31701680000109.3L103 D104 L105 L119 V120 F122 W177L103-V152 HydrophobicContact CB-CG1 4.04Å; L103-V152 HydrophobicContact CD1-CG1 4.08Å; L103-V152 HydrophobicContact CD2-CG1 3.94Å; L103-V152 HydrophobicContact CG-CG1 4.25Å; D104-V152 WeakPolarHBondContact O-CA 3.34Å; L105-V152 HydrophobicContact CB-CG2 4.29Å; L105-V152 HydrophobicContact CD1-CG2 3.46Å; L105-V152 VanDerWaalsContact CD1-CG2 3.46Å; L105-V152 HydrophobicContact CG-CG2 4.41Å; L119-V152 HydrophobicContact CD1-CB 4.23Å; L119-V152 HydrophobicContact CD1-CG2 3.68Å; V120-V152 PolarHBondContact O-N 3.14Å; F122-V152 PolarHBondContact N-O 3.18Å; V152-W177 HydrophobicContact CG2-CZ3 4.02Å
153C98.1Very high96.1Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-115.9100.1170.6-169.20000109.4L103 D104 Y106 R133L103-C153 WeakPolarHBondContact CA-O 3.3Å; D104-C153 PolarHBondContact N-O 2.9Å; D104-C153 VanDerWaalsContact N-O 3.07Å; D104-C153 PolarHBondContact O-N 3.2Å; Y106-C153 HydrophobicContact CE2-CB 4.45Å; R133-C153 HydrophobicContact CB-CB 4.28Å; R133-C153 WeakPolarHBondContact CB-O 3.46Å
154P98.4Very high96.1Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-86.5138.4179.432.6-29.9000112.1Y96 L103 V121 F122 Y124 I171 C174Y96-P154 HydrophobicContact CE1-CB 3.81Å; Y96-P154 WeakPolarHBondContact OH-CB 3.46Å; L103-P154 HydrophobicContact CB-CB 4.13Å; V121-P154 HydrophobicContact CG1-CG 4.11Å; F122-P154 WeakPolarHBondContact O-CD 3.42Å; Y124-P154 WeakPolarHBondContact CE1-O 3.43Å; P154-I171 HydrophobicContact CG-CD1 4.35Å; P154-C174 HydrophobicContact CB-CB 4.14Å; P154-C174 HydrophobicContact CG-CB 4.29Å
155D98.4Very high96.3Very high18 Ų1835.4 Ų35.410%0.09618%0.181CC..  trans-74.6141.6157.9-70.2-36.3000110.3Y96 N101 K102 Y124 H132 R133Y96-D155 PolarHBondContact OH-O 2.97Å; N101-D155 WeakPolarHBondContact CB-O 3.31Å; N101-D155 PolarHBondContact ND2-O 3.33Å; K102-D155 WeakPolarHBondContact O-CB 3.44Å; K102-D155 PolarHBondContact O-N 2.78Å; Y124-D155 WeakPolarHBondContact OH-CA 3.43Å; Y124-D155 PolarHBondContact OH-OD1 2.87Å; H132-D155 WeakPolarHBondContact CA-OD1 3.16Å; H132-D155 IonicContact CD2-OD1 3.85Å; H132-D155 IonicContact CD2-OD2 3.95Å; H132-D155 IonicContact CG-OD1 3.62Å; H132-D155 IonicContact NE2-OD2 3.68Å; H132-D155 PolarHBondContact NE2-OD2 2.72Å; R133-D155 WeakPolarHBondContact CB-OD1 3.29Å; R133-D155 WeakPolarHBondContact CD-OD2 3.46Å; R133-D155 IonicContact CZ-OD2 3.8Å; R133-D155 PolarHBondContact N-OD1 3.44Å; R133-D155 IonicContact NE-OD2 3.39Å; R133-D155 IonicContact NH1-OD2 3.52Å; R133-D155 PolarHBondContact NH1-OD2 3.47Å
156Y98.2Very high96.6Very high7 Ų734.6 Ų34.63%0.02718%0.178CC..  trans-126.3160.1171.853.4-95.8000110I123 Y124 T158 M167 I171 L203I123-Y156 HydrophobicContact CG2-CD1 4.36Å; I123-Y156 HydrophobicContact CG2-CE1 3.92Å; Y124-Y156 HydrophobicContact CD1-CE1 4.25Å; Y124-Y156 AromaticContact CD2-CE1 3.6Å; Y124-Y156 HydrophobicContact CD2-CE1 3.6Å; Y124-Y156 AromaticContact CD2-CZ 3.63Å; Y124-Y156 WeakPolarHBondContact CD2-OH 3.25Å; Y124-Y156 HydrophobicContact CE1-CD1 4.32Å; Y124-Y156 HydrophobicContact CE1-CE1 4.04Å; Y124-Y156 HydrophobicContact CE2-CD1 4.15Å; Y124-Y156 AromaticContact CE2-CE1 3.35Å; Y124-Y156 HydrophobicContact CE2-CE1 3.35Å; Y124-Y156 HydrophobicContact CE2-CE2 4.08Å; Y124-Y156 AromaticContact CE2-CZ 3.31Å; Y124-Y156 VanDerWaalsContact CE2-OH 3.27Å; Y124-Y156 WeakPolarHBondContact CE2-OH 3.44Å; Y124-Y156 HydrophobicContact CG-CE1 4.04Å; Y124-Y156 AromaticContact CZ-CD1 3.92Å; Y124-Y156 AromaticContact CZ-CE1 3.56Å; Y124-Y156 AromaticContact CZ-CZ 3.94Å; Y124-Y156 PolarHBondContact O-OH 2.92Å; Y124-Y156 PolarHBondContact OH-N 3.39Å; Y156-T158 HydrophobicContact CD2-CG2 4.43Å; Y156-T158 HydrophobicContact CE2-CG2 4.18Å; Y156-T158 PolarHBondContact O-N 3.09Å; Y156-M167 HydrophobicContact CD2-CB 4.27Å; Y156-M167 HydrophobicContact CD2-CG 3.97Å; Y156-M167 HydrophobicContact CE2-CG 4.43Å; Y156-I171 HydrophobicContact CD1-CD1 3.75Å; Y156-I171 HydrophobicContact CG-CD1 4.18Å; Y156-L203 HydrophobicContact CD1-CD1 4.49Å; Y156-L203 HydrophobicContact CD2-CD1 4.02Å; Y156-L203 HydrophobicContact CE1-CD1 4.12Å; Y156-L203 HydrophobicContact CE2-CD1 3.62Å; Y156-L203 HydrophobicContact CG-CD1 4.43Å
157C95.7Very high96.7Very high16 Ų1631.9 Ų31.911%0.10817%0.165CC..  trans-61.5133.5179.864.40000110.8M166 M167 D170C157-M166 VanDerWaalsContact SG-C 3.54Å; C157-M166 WeakPolarHBondContact SG-CB 3.16Å; C157-M167 WeakPolarHBondContact O-CG 3.45Å; C157-D170 VanDerWaalsContact CB-OD2 3.31Å; C157-D170 WeakPolarHBondContact CB-OD2 3.36Å; C157-D170 PolarHBondContact N-OD2 3.48Å; C157-D170 PolarHBondContact SG-OD2 2.75Å
158T95.6Very high96.9Very high30 Ų3031.2 Ų31.218%0.18416%0.162CC..  trans-108.5155.6178.160.60000111.2S129 Y156 K161 G162S129-T158 WeakPolarHBondContact O-CB 3.37Å; S129-T158 PolarHBondContact O-OG1 3.3Å; Y156-T158 HydrophobicContact CD2-CG2 4.43Å; Y156-T158 HydrophobicContact CE2-CG2 4.18Å; Y156-T158 PolarHBondContact O-N 3.09Å; T158-K161 WeakPolarHBondContact O-CA 3.45Å; T158-K161 WeakPolarHBondContact O-CB 3.42Å; T158-K161 PolarHBondContact O-N 3.47Å; T158-G162 PolarHBondContact O-N 2.86Å
159Y95.3Very high97.1Very high58 Ų5826.6 Ų26.623%0.22714%0.137CC..THydrogen-bonded Turntrans-63.5136.5171.2-176.5-87.5000110W128 G162 C261 R264 A265W128-Y159 PolarHBondContact O-N 2.77Å; Y159-G162 VanDerWaalsContact CA-O 3.29Å; Y159-G162 WeakPolarHBondContact CA-O 3.26Å; Y159-G162 PolarHBondContact N-O 3.35Å; Y159-C261 HydrophobicContact CD1-CB 3.59Å; Y159-C261 HydrophobicContact CE1-CB 4.14Å; Y159-C261 HydrophobicContact CG-CB 4.16Å; Y159-R264 HydrophobicContact CD2-CB 4.45Å; Y159-R264 HydrophobicContact CE1-CB 4.18Å; Y159-R264 HydrophobicContact CE2-CB 3.72Å; Y159-A265 HydrophobicContact CD2-CB 4.16Å; Y159-A265 HydrophobicContact CG-CB 4.21Å
160P95.4Very high97.3Very high105 Ų10526.6 Ų26.668%0.68214%0.137SC*.THydrogen-bonded Turncis-91.41.510.436.1-36.9000115.8G162P160-G162 VanDerWaalsContact C-N 3.32Å
161K95.2Very high97.4Very high184 Ų18426.6 Ų26.680%0.814%0.137SC*.THydrogen-bonded Turntrans-70.9-29.1-178.6-61.6-179.1180178.80112.7T158T158-K161 WeakPolarHBondContact O-CA 3.45Å; T158-K161 WeakPolarHBondContact O-CB 3.42Å; T158-K161 PolarHBondContact O-N 3.47Å
162G95.1Very high97.4Very high5 Ų526.6 Ų26.65%0.05214%0.137CC..  trans-141.6162175.500000112.3T158 Y159 P160T158-G162 PolarHBondContact O-N 2.86Å; Y159-G162 VanDerWaalsContact CA-O 3.29Å; Y159-G162 WeakPolarHBondContact CA-O 3.26Å; Y159-G162 PolarHBondContact N-O 3.35Å; P160-G162 VanDerWaalsContact C-N 3.32Å
163N97.4Very high97.5Very high35 Ų3526.9 Ų26.919%0.18714%0.138CC..  trans-100.5176.1170.365.635.9000110.3L165 M166 M167 A265 N267N163-L165 VanDerWaalsContact C-N 3.29Å; N163-L165 PolarHBondContact O-N 3.33Å; N163-L165 WeakPolarHBondContact OD1-CB 3.39Å; N163-L165 PolarHBondContact OD1-N 3.26Å; N163-L165 VanDerWaalsContact OD1-N 3.16Å; N163-M166 WeakPolarHBondContact O-CB 3.44Å; N163-M166 PolarHBondContact O-N 3.44Å; N163-M166 WeakPolarHBondContact OD1-CG 3.49Å; N163-M166 PolarHBondContact OD1-N 2.98Å; N163-M166 VanDerWaalsContact OD1-N 3.08Å; N163-M167 WeakPolarHBondContact O-CG 3.39Å; N163-M167 PolarHBondContact O-N 3.13Å; N163-A265 CarbonylContact C-O 3.55Å; N163-A265 WeakPolarHBondContact CA-O 3.31Å; N163-A265 VanDerWaalsContact CB-O 3.32Å; N163-A265 WeakPolarHBondContact CB-O 3.31Å; N163-N267 WeakPolarHBondContact CB-OD1 3.26Å; N163-N267 PolarHBondContact ND2-ND2 2.78Å
164V98.1Very high97.5Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-64.3-32.1-174.5167.60000112.6W128 M166 M167 I168 L203 A265 M266 Y275W128-V164 HydrophobicContact CG-CG2 4.28Å; V164-M166 VanDerWaalsContact C-N 3.33Å; V164-M166 PolarHBondContact O-N 3.14Å; V164-M167 HydrophobicContact CB-SD 4.49Å; V164-M167 HydrophobicContact CG2-CE 4.43Å; V164-M167 HydrophobicContact CG2-SD 3.93Å; V164-M167 WeakPolarHBondContact O-CB 3.42Å; V164-M167 PolarHBondContact O-N 3.14Å; V164-I168 HydrophobicContact CG1-CD1 3.87Å; V164-I168 HydrophobicContact CG1-CG1 4.33Å; V164-I168 WeakPolarHBondContact O-CD1 3.32Å; V164-I168 WeakPolarHBondContact O-CG1 3.44Å; V164-I168 PolarHBondContact O-N 3.08Å; V164-L203 HydrophobicContact CG1-CD2 4.36Å; V164-A265 HydrophobicContact CG2-CB 3.88Å; V164-A265 WeakPolarHBondContact CG2-O 3.43Å; V164-A265 PolarHBondContact N-O 2.94Å; V164-M266 HydrophobicContact CB-CE 4.21Å; V164-M266 HydrophobicContact CB-SD 3.7Å; V164-M266 HydrophobicContact CG1-CE 3.94Å; V164-M266 HydrophobicContact CG1-SD 3.69Å; V164-M266 HydrophobicContact CG2-CE 3.58Å; V164-M266 HydrophobicContact CG2-CG 4.29Å; V164-M266 HydrophobicContact CG2-SD 3.53Å; V164-M266 VanDerWaalsContact CG2-SD 3.53Å; V164-Y275 HydrophobicContact CG1-CD1 3.92Å; V164-Y275 HydrophobicContact CG1-CE1 4.4Å; V164-Y275 HydrophobicContact CG1-CG 4.18Å
165L98.1Very high97.5Very high37 Ų3726.9 Ų26.919%0.19414%0.138CC..Hα-helixtrans-63.4-41.2173.1179.562.6000111.6N163 M167 I168 Q169 F210 E217 Y275N163-L165 VanDerWaalsContact C-N 3.29Å; N163-L165 PolarHBondContact O-N 3.33Å; N163-L165 WeakPolarHBondContact OD1-CB 3.39Å; N163-L165 PolarHBondContact OD1-N 3.26Å; N163-L165 VanDerWaalsContact OD1-N 3.16Å; L165-M167 VanDerWaalsContact C-N 3.33Å; L165-M167 PolarHBondContact O-N 3.04Å; L165-I168 PolarHBondContact O-N 2.9Å; L165-Q169 WeakPolarHBondContact O-CB 3.42Å; L165-Q169 PolarHBondContact O-N 3.04Å; L165-F210 HydrophobicContact CD1-CE2 4.02Å; L165-E217 HydrophobicContact CD1-CB 3.83Å; L165-E217 HydrophobicContact CD2-CB 4.08Å; L165-Y275 HydrophobicContact CB-CE1 4.18Å
166M98.1Very high97.5Very high56 Ų5627.1 Ų27.128%0.27614%0.139SC..Hα-helixtrans-65.8-36.6175.4-62.2172.964.500111.9C157 N163 V164 Q169 D170C157-M166 VanDerWaalsContact SG-C 3.54Å; C157-M166 WeakPolarHBondContact SG-CB 3.16Å; N163-M166 WeakPolarHBondContact O-CB 3.44Å; N163-M166 PolarHBondContact O-N 3.44Å; N163-M166 WeakPolarHBondContact OD1-CG 3.49Å; N163-M166 PolarHBondContact OD1-N 2.98Å; N163-M166 VanDerWaalsContact OD1-N 3.08Å; V164-M166 VanDerWaalsContact C-N 3.33Å; V164-M166 PolarHBondContact O-N 3.14Å; M166-Q169 PolarHBondContact O-N 3.27Å; M166-D170 PolarHBondContact O-N 3.27Å
167M98.5Very high97.5Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-61.3-48.4173.5-66166.1-157.200111.3W128 Y156 C157 N163 V164 L165 Q169 D170 I171 L203 A265W128-M167 HydrophobicContact CB-CE 4.05Å; W128-M167 HydrophobicContact CB-SD 3.87Å; W128-M167 HydrophobicContact CG-SD 4.28Å; W128-M167 WeakPolarHBondContact O-CE 3.36Å; Y156-M167 HydrophobicContact CD2-CB 4.27Å; Y156-M167 HydrophobicContact CD2-CG 3.97Å; Y156-M167 HydrophobicContact CE2-CG 4.43Å; C157-M167 WeakPolarHBondContact O-CG 3.45Å; N163-M167 WeakPolarHBondContact O-CG 3.39Å; N163-M167 PolarHBondContact O-N 3.13Å; V164-M167 HydrophobicContact CB-SD 4.49Å; V164-M167 HydrophobicContact CG2-CE 4.43Å; V164-M167 HydrophobicContact CG2-SD 3.93Å; V164-M167 WeakPolarHBondContact O-CB 3.42Å; V164-M167 PolarHBondContact O-N 3.14Å; L165-M167 VanDerWaalsContact C-N 3.33Å; L165-M167 PolarHBondContact O-N 3.04Å; M167-Q169 VanDerWaalsContact C-N 3.29Å; M167-Q169 PolarHBondContact O-N 2.96Å; M167-D170 WeakPolarHBondContact O-CB 3.46Å; M167-D170 PolarHBondContact O-N 3Å; M167-D170 VanDerWaalsContact O-N 3.12Å; M167-I171 WeakPolarHBondContact O-CG1 3.27Å; M167-I171 PolarHBondContact O-N 3.31Å; M167-L203 HydrophobicContact CB-CD1 4Å; M167-L203 HydrophobicContact CB-CD2 3.51Å; M167-L203 HydrophobicContact CB-CG 4.42Å; M167-L203 HydrophobicContact CG-CD2 4.49Å; M167-L203 HydrophobicContact SD-CD2 4.41Å; M167-A265 HydrophobicContact CE-CB 4.49Å
168I98.6Very high97.6Very high0 Ų026.9 Ų26.90%014%0.136CC..Hα-helixtrans-60.3-42.3177.6-63.7162.1000110.1V164 L165 D170 I171 A172 L203 M206 T207 F210 L218 Y275V164-I168 HydrophobicContact CG1-CD1 3.87Å; V164-I168 HydrophobicContact CG1-CG1 4.33Å; V164-I168 WeakPolarHBondContact O-CD1 3.32Å; V164-I168 WeakPolarHBondContact O-CG1 3.44Å; V164-I168 PolarHBondContact O-N 3.08Å; L165-I168 PolarHBondContact O-N 2.9Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 PolarHBondContact O-N 2.98Å; I168-I171 PolarHBondContact O-N 2.82Å; I168-A172 PolarHBondContact O-N 2.93Å; I168-L203 HydrophobicContact CG1-CD2 3.91Å; I168-M206 HydrophobicContact CD1-CB 3.71Å; I168-M206 HydrophobicContact CD1-CE 3.78Å; I168-M206 HydrophobicContact CD1-CG 4.23Å; I168-M206 HydrophobicContact CG1-CB 3.86Å; I168-T207 WeakPolarHBondContact CG2-OG1 3.34Å; I168-T207 PolarHBondContact O-OG1 3.07Å; I168-F210 HydrophobicContact CD1-CD2 4.43Å; I168-F210 HydrophobicContact CD1-CE2 4.08Å; I168-F210 HydrophobicContact CD1-CZ 4.46Å; I168-F210 HydrophobicContact CG2-CD2 4.01Å; I168-F210 HydrophobicContact CG2-CG 4.49Å; I168-L218 HydrophobicContact CG2-CD2 3.84Å; I168-Y275 HydrophobicContact CD1-CD1 4.2Å; I168-Y275 HydrophobicContact CD1-CE1 4.47Å
169Q98.4Very high97.6Very high7 Ų726.7 Ų26.73%0.03313%0.133CC..Hα-helixtrans-62.1-39.7175-175.46472.300112.2L165 M166 M167 I171 A172 D173L165-Q169 WeakPolarHBondContact O-CB 3.42Å; L165-Q169 PolarHBondContact O-N 3.04Å; M166-Q169 PolarHBondContact O-N 3.27Å; M167-Q169 VanDerWaalsContact C-N 3.29Å; M167-Q169 PolarHBondContact O-N 2.96Å; Q169-I171 VanDerWaalsContact C-N 3.34Å; Q169-A172 PolarHBondContact O-N 3.12Å; Q169-D173 PolarHBondContact NE2-OD1 3.41Å; Q169-D173 WeakPolarHBondContact O-CB 3.46Å; Q169-D173 VanDerWaalsContact O-CG 3.27Å; Q169-D173 PolarHBondContact O-N 3.42Å
170D98.6Very high97.6Very high0 Ų029.5 Ų29.50%015%0.148CC..Hα-helixtrans-66.6-34177.5-77.1-23.7000112.6Y96 R99 N101 C157 M166 M167 I168 C174Y96-D170 VanDerWaalsContact CE2-O 3.31Å; Y96-D170 WeakPolarHBondContact CE2-O 3.39Å; Y96-D170 PolarHBondContact OH-O 3.07Å; R99-D170 WeakPolarHBondContact CD-OD1 3.37Å; R99-D170 IonicContact CZ-OD1 3.41Å; R99-D170 IonicContact NE-OD1 3.24Å; R99-D170 IonicContact NH1-OD1 2.78Å; R99-D170 PolarHBondContact NH1-OD1 3.37Å; N101-D170 PolarHBondContact ND2-OD1 3.34Å; N101-D170 VanDerWaalsContact ND2-OD1 3.17Å; N101-D170 PolarHBondContact ND2-OD2 2.97Å; C157-D170 VanDerWaalsContact CB-OD2 3.31Å; C157-D170 WeakPolarHBondContact CB-OD2 3.36Å; C157-D170 PolarHBondContact N-OD2 3.48Å; C157-D170 PolarHBondContact SG-OD2 2.75Å; M166-D170 PolarHBondContact O-N 3.27Å; M167-D170 WeakPolarHBondContact O-CB 3.46Å; M167-D170 PolarHBondContact O-N 3Å; M167-D170 VanDerWaalsContact O-N 3.12Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 PolarHBondContact O-N 2.98Å; D170-C174 PolarHBondContact O-N 2.87Å; D170-C174 VanDerWaalsContact O-N 3.12Å
171I98.6Very high97.7Very high0 Ų025.8 Ų25.80%012%0.123CC..Hα-helixtrans-70-41.4172.3-58.4-48.7000110.4I123 P154 Y156 M167 I168 Q169 D173 C174 L175 L203 T207I123-I171 HydrophobicContact CD1-CD1 4.42Å; I123-I171 HydrophobicContact CD1-CG1 4.36Å; I123-I171 HydrophobicContact CD1-CG2 3.61Å; I123-I171 HydrophobicContact CG1-CD1 4.22Å; I123-I171 HydrophobicContact CG1-CG2 4.34Å; I123-I171 HydrophobicContact CG2-CD1 3.8Å; I123-I171 HydrophobicContact CG2-CG1 4.3Å; P154-I171 HydrophobicContact CG-CD1 4.35Å; Y156-I171 HydrophobicContact CD1-CD1 3.75Å; Y156-I171 HydrophobicContact CG-CD1 4.18Å; M167-I171 WeakPolarHBondContact O-CG1 3.27Å; M167-I171 PolarHBondContact O-N 3.31Å; I168-I171 PolarHBondContact O-N 2.82Å; Q169-I171 VanDerWaalsContact C-N 3.34Å; I171-D173 VanDerWaalsContact C-N 3.32Å; I171-D173 PolarHBondContact O-N 3.24Å; I171-C174 VanDerWaalsContact O-CB 3.31Å; I171-C174 WeakPolarHBondContact O-CB 3.28Å; I171-C174 PolarHBondContact O-N 2.76Å; I171-C174 VanDerWaalsContact O-N 3.11Å; I171-L175 PolarHBondContact O-N 2.99Å; I171-L175 VanDerWaalsContact O-N 3.13Å; I171-L203 HydrophobicContact CG1-CB 4.38Å; I171-T207 HydrophobicContact CB-CG2 4.42Å; I171-T207 HydrophobicContact CG2-CG2 4.05Å
172A98.4Very high97.7Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-63.6-38.6175.800000112.1I168 Q169 C174 L175 I176 T207 I220I168-A172 PolarHBondContact O-N 2.93Å; Q169-A172 PolarHBondContact O-N 3.12Å; A172-C174 VanDerWaalsContact C-N 3.27Å; A172-C174 PolarHBondContact O-N 2.86Å; A172-L175 WeakPolarHBondContact O-CB 3.46Å; A172-L175 PolarHBondContact O-N 3.28Å; A172-L175 VanDerWaalsContact O-N 3.14Å; A172-I176 WeakPolarHBondContact O-CG1 3.47Å; A172-I176 PolarHBondContact O-N 3.28Å; A172-T207 HydrophobicContact CB-CG2 4.05Å; A172-I220 HydrophobicContact CB-CD1 3.61Å
173D98.4Very high97.5Very high6 Ų625 Ų253%0.03212%0.121CC..Hα-helixtrans-64-31.2173.3-76.55.5000112.3Y96 R98 Q169 I171 W177Y96-D173 HydrophobicContact CE2-CB 4.3Å; R98-D173 VanDerWaalsContact CG-OD2 3.26Å; R98-D173 WeakPolarHBondContact CG-OD2 3.34Å; R98-D173 IonicContact CZ-OD1 3.55Å; R98-D173 IonicContact CZ-OD2 2.96Å; R98-D173 PolarHBondContact N-OD2 3.42Å; R98-D173 IonicContact NE-OD1 2.59Å; R98-D173 PolarHBondContact NE-OD1 3.35Å; R98-D173 IonicContact NE-OD2 2.76Å; R98-D173 PolarHBondContact NE-OD2 3.18Å; R98-D173 IonicContact NH2-OD1 2.76Å; R98-D173 PolarHBondContact NH2-OD1 2.65Å; R98-D173 IonicContact NH2-OD2 2.73Å; Q169-D173 PolarHBondContact NE2-OD1 3.41Å; Q169-D173 WeakPolarHBondContact O-CB 3.46Å; Q169-D173 VanDerWaalsContact O-CG 3.27Å; Q169-D173 PolarHBondContact O-N 3.42Å; I171-D173 VanDerWaalsContact C-N 3.32Å; I171-D173 PolarHBondContact O-N 3.24Å; D173-W177 WeakPolarHBondContact O-CB 3.42Å; D173-W177 PolarHBondContact O-N 3.32Å
174C98.6Very high97.4Very high0 Ų030.8 Ų30.80%014%0.144CC..Hα-helixtrans-67.1-38.6172.9-177.70000111.2Y96 P154 D170 I171 A172 W177 A178Y96-C174 HydrophobicContact CD2-CB 4.01Å; Y96-C174 VanDerWaalsContact CE2-CA 3.46Å; Y96-C174 HydrophobicContact CE2-CB 3.47Å; Y96-C174 VanDerWaalsContact CE2-CB 3.47Å; P154-C174 HydrophobicContact CB-CB 4.14Å; P154-C174 HydrophobicContact CG-CB 4.29Å; D170-C174 PolarHBondContact O-N 2.87Å; D170-C174 VanDerWaalsContact O-N 3.12Å; I171-C174 VanDerWaalsContact O-CB 3.31Å; I171-C174 WeakPolarHBondContact O-CB 3.28Å; I171-C174 PolarHBondContact O-N 2.76Å; I171-C174 VanDerWaalsContact O-N 3.11Å; A172-C174 VanDerWaalsContact C-N 3.27Å; A172-C174 PolarHBondContact O-N 2.86Å; C174-W177 WeakPolarHBondContact O-CB 2.98Å; C174-W177 PolarHBondContact O-N 3.24Å; C174-A178 WeakPolarHBondContact O-CB 3.48Å; C174-A178 PolarHBondContact O-N 3.38Å
175L98.6Very high97.1Very high0 Ų031.6 Ų31.60%015%0.148CC..Hα-helixtrans-69.5-38.9175.7-66.2170.4000112.6V121 I171 A172 W177 A178 Q179 I192 L194 T207 L211 I228 I232V121-L175 HydrophobicContact CG2-CD2 4.09Å; I171-L175 PolarHBondContact O-N 2.99Å; I171-L175 VanDerWaalsContact O-N 3.13Å; A172-L175 WeakPolarHBondContact O-CB 3.46Å; A172-L175 PolarHBondContact O-N 3.28Å; A172-L175 VanDerWaalsContact O-N 3.14Å; L175-W177 VanDerWaalsContact C-N 3.32Å; L175-A178 PolarHBondContact O-N 3.42Å; L175-Q179 PolarHBondContact O-N 2.95Å; L175-I192 HydrophobicContact CD2-CD1 4.16Å; L175-I192 HydrophobicContact CD2-CG2 3.88Å; L175-L194 HydrophobicContact CD1-CD2 4.37Å; L175-L194 HydrophobicContact CD2-CD2 3.89Å; L175-T207 HydrophobicContact CD1-CG2 4.01Å; L175-L211 HydrophobicContact CD1-CD1 4.21Å; L175-I228 HydrophobicContact CB-CD1 4.45Å; L175-I228 HydrophobicContact CB-CG1 4.43Å; L175-I228 HydrophobicContact CB-CG2 3.59Å; L175-I228 HydrophobicContact CD1-CG2 3.77Å; L175-I228 HydrophobicContact CG-CG2 4.24Å; L175-I232 HydrophobicContact CD1-CD1 4.01Å
176I97.9Very high96.8Very high24 Ų2432.4 Ų32.412%0.12316%0.157CC..Hα-helixtrans-56.7-50.2169.6-66.2166.9000109.4A172 A178 Q179 E180 I220 K224 I228A172-I176 WeakPolarHBondContact O-CG1 3.47Å; A172-I176 PolarHBondContact O-N 3.28Å; I176-A178 VanDerWaalsContact C-N 3.31Å; I176-A178 PolarHBondContact O-N 3.02Å; I176-Q179 PolarHBondContact O-N 3.48Å; I176-E180 HydrophobicContact CG2-CG 4.4Å; I176-E180 WeakPolarHBondContact CG2-OE1 3.2Å; I176-E180 WeakPolarHBondContact O-CG 3.21Å; I176-E180 PolarHBondContact O-N 3.41Å; I176-I220 HydrophobicContact CD1-CD1 4.45Å; I176-I220 HydrophobicContact CD1-CG1 4.21Å; I176-I220 HydrophobicContact CD1-CG2 4.06Å; I176-K224 HydrophobicContact CG2-CD 4.48Å; I176-I228 HydrophobicContact CB-CD1 4.17Å; I176-I228 HydrophobicContact CD1-CD1 4.46Å; I176-I228 HydrophobicContact CG1-CD1 3.31Å
177W98.1Very high96.6Very high17 Ų1729.8 Ų29.86%0.06414%0.144CC..Hα-helixtrans-57.9-44.2178174.189.2000111.6I94 Y96 L103 V152 D173 C174 L175 Q179 E180 N181 F185 F187I94-W177 HydrophobicContact CD1-CH2 4.49Å; I94-W177 HydrophobicContact CD1-CZ2 4.28Å; I94-W177 HydrophobicContact CG2-CZ2 3.76Å; Y96-W177 HydrophobicContact CD2-CB 4.43Å; L103-W177 HydrophobicContact CD1-CH2 3.8Å; L103-W177 HydrophobicContact CD1-CZ2 4.14Å; L103-W177 HydrophobicContact CD1-CZ3 4.05Å; L103-W177 HydrophobicContact CD2-CD2 3.69Å; L103-W177 HydrophobicContact CD2-CE3 3.49Å; L103-W177 VanDerWaalsContact CD2-CE3 3.49Å; L103-W177 HydrophobicContact CD2-CG 4.37Å; L103-W177 HydrophobicContact CD2-CH2 4.13Å; L103-W177 HydrophobicContact CD2-CZ2 4.29Å; L103-W177 HydrophobicContact CD2-CZ3 3.73Å; V152-W177 HydrophobicContact CG2-CZ3 4.02Å; D173-W177 WeakPolarHBondContact O-CB 3.42Å; D173-W177 PolarHBondContact O-N 3.32Å; C174-W177 WeakPolarHBondContact O-CB 2.98Å; C174-W177 PolarHBondContact O-N 3.24Å; L175-W177 VanDerWaalsContact C-N 3.32Å; W177-Q179 PolarHBondContact O-N 2.87Å; W177-E180 PolarHBondContact O-N 3.29Å; W177-N181 VanDerWaalsContact CD1-ND2 3.33Å; W177-N181 HydrophobicContact CD2-CB 4.36Å; W177-N181 HydrophobicContact CZ2-CB 4.09Å; W177-N181 PolarHBondContact NE1-ND2 3.03Å; W177-N181 WeakPolarHBondContact O-CB 3.23Å; W177-N181 PolarHBondContact O-N 3.23Å; W177-N181 PolarHBondContact O-ND2 2.91Å; W177-F185 HydrophobicContact CH2-CD2 4.36Å; W177-F185 HydrophobicContact CH2-CE2 4.5Å; W177-F185 HydrophobicContact CH2-CG 4.45Å; W177-F185 AromaticContact CZ2-CD2 3.98Å; W177-F185 HydrophobicContact CZ2-CD2 3.98Å; W177-F185 HydrophobicContact CZ2-CE1 4.49Å; W177-F185 AromaticContact CZ2-CE2 3.71Å; W177-F185 HydrophobicContact CZ2-CE2 3.71Å; W177-F185 HydrophobicContact CZ2-CG 4.42Å; W177-F185 AromaticContact CZ2-CZ 3.99Å; W177-F185 HydrophobicContact CZ2-CZ 3.99Å; W177-F187 HydrophobicContact CH2-CE1 4.18Å; W177-F187 HydrophobicContact CH2-CZ 4.35Å; W177-F187 HydrophobicContact CZ3-CE1 4.21Å; W177-F187 HydrophobicContact CZ3-CZ 4.01Å
178A98Very high96.5Very high1 Ų131.6 Ų31.61%0.00815%0.153CC..Hα-helixtrans-61.5-45.1179.400000112L119 C174 L175 I176 E180 N181 G182 F187 I192L119-A178 HydrophobicContact CD2-CB 3.59Å; C174-A178 WeakPolarHBondContact O-CB 3.48Å; C174-A178 PolarHBondContact O-N 3.38Å; L175-A178 PolarHBondContact O-N 3.42Å; I176-A178 VanDerWaalsContact C-N 3.31Å; I176-A178 PolarHBondContact O-N 3.02Å; A178-E180 PolarHBondContact O-N 3.04Å; A178-N181 PolarHBondContact O-N 2.93Å; A178-G182 PolarHBondContact O-N 3.22Å; A178-F187 HydrophobicContact CB-CE2 4.15Å; A178-F187 HydrophobicContact CB-CZ 4.25Å; A178-F187 WeakPolarHBondContact O-CE2 3.49Å; A178-I192 HydrophobicContact CB-CD1 4.14Å
179Q96.6Very high96.3Very high25 Ų2534.7 Ų34.712%0.11717%0.167CC..Hα-helixtrans-59.7-42.8174.3-89.3-70.8-19.300112.6L175 I176 W177 N181 K189 D190 I228 S231L175-Q179 PolarHBondContact O-N 2.95Å; I176-Q179 PolarHBondContact O-N 3.48Å; W177-Q179 PolarHBondContact O-N 2.87Å; Q179-N181 VanDerWaalsContact C-N 3.33Å; Q179-N181 PolarHBondContact O-N 3.44Å; Q179-K189 PolarHBondContact NE2-O 3.11Å; Q179-K189 WeakPolarHBondContact O-CD 3.45Å; Q179-D190 PolarHBondContact NE2-OD1 3.05Å; Q179-D190 VanDerWaalsContact NE2-OD1 3.08Å; Q179-I228 HydrophobicContact CG-CG1 4.1Å; Q179-S231 PolarHBondContact NE2-OG 3.37Å
180E95.9Very high96.2Very high117 Ų11737.6 Ų37.655%0.54718%0.183SC..Hα-helixtrans-75.9-20.4-178.4-69.1173.7172.400113.4I176 W177 A178 K224I176-E180 HydrophobicContact CG2-CG 4.4Å; I176-E180 WeakPolarHBondContact CG2-OE1 3.2Å; I176-E180 WeakPolarHBondContact O-CG 3.21Å; I176-E180 PolarHBondContact O-N 3.41Å; W177-E180 PolarHBondContact O-N 3.29Å; A178-E180 PolarHBondContact O-N 3.04Å; E180-K224 IonicContact OE1-NZ 2.68Å; E180-K224 PolarHBondContact OE1-NZ 2.87Å
181N96.4Very high96.1Very high27 Ų2739.2 Ų39.214%0.14419%0.191CC..Hα-helixtrans-121-3.5-167.8-70.8-90.4000114.7W177 A178 Q179 Q183 K184 F185W177-N181 VanDerWaalsContact CD1-ND2 3.33Å; W177-N181 HydrophobicContact CD2-CB 4.36Å; W177-N181 HydrophobicContact CZ2-CB 4.09Å; W177-N181 PolarHBondContact NE1-ND2 3.03Å; W177-N181 WeakPolarHBondContact O-CB 3.23Å; W177-N181 PolarHBondContact O-N 3.23Å; W177-N181 PolarHBondContact O-ND2 2.91Å; A178-N181 PolarHBondContact O-N 2.93Å; Q179-N181 VanDerWaalsContact C-N 3.33Å; Q179-N181 PolarHBondContact O-N 3.44Å; N181-Q183 PolarHBondContact O-N 3.2Å; N181-K184 WeakPolarHBondContact O-CB 3.42Å; N181-K184 PolarHBondContact O-N 3.5Å; N181-F185 HydrophobicContact CB-CD2 3.72Å; N181-F185 HydrophobicContact CB-CE2 3.96Å; N181-F185 WeakPolarHBondContact O-CD2 3.38Å; N181-F185 PolarHBondContact O-N 2.79Å
182G94.6Very high96.1Very high0 Ų039.2 Ų39.20%019%0.191CC..THydrogen-bonded Turntrans-52.3-47.6-175.500000114.7A178 K184 F185 S186 F187A178-G182 PolarHBondContact O-N 3.22Å; G182-K184 PolarHBondContact O-N 3.18Å; G182-F185 CarbonylContact O-C 3.33Å; G182-F185 PolarHBondContact O-N 2.83Å; G182-S186 PolarHBondContact O-N 3.06Å; G182-F187 CarbonylContact C-O 3.6Å; G182-F187 VanDerWaalsContact CA-CZ 3.47Å; G182-F187 PolarHBondContact O-N 2.71Å
183Q92.1Very high96.1Very high174 Ų17439.2 Ų39.281%0.81319%0.191SC*.THydrogen-bonded Turntrans-64.3-43.7177.1-170176.920.800112.4N181 F185 S186N181-Q183 PolarHBondContact O-N 3.2Å; Q183-F185 PolarHBondContact O-N 3.24Å; Q183-S186 PolarHBondContact O-N 3.07Å
184K93.8Very high96.1Very high155 Ų15538.9 Ų38.967%0.67419%0.189SC*.THydrogen-bonded Turntrans-62.4-31179.5175.7178.1176.2179.70112.4N181 G182N181-K184 WeakPolarHBondContact O-CB 3.42Å; N181-K184 PolarHBondContact O-N 3.5Å; G182-K184 PolarHBondContact O-N 3.18Å
185F92.7Very high96.1Very high18 Ų1838.9 Ų38.98%0.07919%0.189CC..THydrogen-bonded Turntrans-109.213.7-178.6-72.2-92.4000112.9K91 I94 L105 Y107 W177 N181 G182 Q183 F187K91-F185 HydrophobicContact CD-CD1 3.66Å; K91-F185 HydrophobicContact CD-CE1 3.76Å; I94-F185 HydrophobicContact CD1-CD1 4.09Å; I94-F185 HydrophobicContact CD1-CE1 3.43Å; I94-F185 VanDerWaalsContact CD1-CE1 3.43Å; I94-F185 HydrophobicContact CD1-CZ 3.97Å; I94-F185 HydrophobicContact CG1-CE1 4.21Å; I94-F185 HydrophobicContact CG1-CZ 4.44Å; I94-F185 HydrophobicContact CG2-CZ 4.26Å; L105-F185 HydrophobicContact CD2-CB 3.73Å; L105-F185 HydrophobicContact CD2-CD1 3.64Å; L105-F185 HydrophobicContact CD2-CG 4Å; Y107-F185 WeakPolarHBondContact CE1-O 3.5Å; Y107-F185 VanDerWaalsContact CZ-O 3.24Å; Y107-F185 PolarHBondContact OH-O 3.43Å; W177-F185 HydrophobicContact CH2-CD2 4.36Å; W177-F185 HydrophobicContact CH2-CE2 4.5Å; W177-F185 HydrophobicContact CH2-CG 4.45Å; W177-F185 AromaticContact CZ2-CD2 3.98Å; W177-F185 HydrophobicContact CZ2-CD2 3.98Å; W177-F185 HydrophobicContact CZ2-CE1 4.49Å; W177-F185 AromaticContact CZ2-CE2 3.71Å; W177-F185 HydrophobicContact CZ2-CE2 3.71Å; W177-F185 HydrophobicContact CZ2-CG 4.42Å; W177-F185 AromaticContact CZ2-CZ 3.99Å; W177-F185 HydrophobicContact CZ2-CZ 3.99Å; N181-F185 HydrophobicContact CB-CD2 3.72Å; N181-F185 HydrophobicContact CB-CE2 3.96Å; N181-F185 WeakPolarHBondContact O-CD2 3.38Å; N181-F185 PolarHBondContact O-N 2.79Å; G182-F185 CarbonylContact O-C 3.33Å; G182-F185 PolarHBondContact O-N 2.83Å; Q183-F185 PolarHBondContact O-N 3.24Å; F185-F187 HydrophobicContact CB-CD1 3.85Å; F185-F187 HydrophobicContact CB-CE1 3.56Å; F185-F187 PolarHBondContact O-N 3.49Å
186S91.9Very high96.1Very high54 Ų5439 Ų3938%0.37819%0.19SC..THydrogen-bonded Turntrans54.850.7172.5-51.10000114.5P117 G182 Q183P117-S186 WeakPolarHBondContact CD-O 3.25Å; G182-S186 PolarHBondContact O-N 3.06Å; Q183-S186 PolarHBondContact O-N 3.07Å
187F94.3Very high96.2Very high1 Ų138.4 Ų38.40%0.00419%0.187CC..SBendtrans-137.7157.8166.861.5-103.2000110.9L105 P117 L119 A150 W177 A178 G182 F185 K189L105-F187 HydrophobicContact CD1-CD1 4.26Å; L105-F187 HydrophobicContact CD1-CE1 4.45Å; L105-F187 HydrophobicContact CD2-CD1 4.28Å; L105-F187 HydrophobicContact CD2-CE1 4.21Å; P117-F187 HydrophobicContact CG-CB 4.42Å; L119-F187 HydrophobicContact CB-CD2 4.01Å; L119-F187 HydrophobicContact CD1-CD1 4.5Å; L119-F187 HydrophobicContact CD1-CD2 4.19Å; L119-F187 HydrophobicContact CD1-CE2 4.42Å; L119-F187 HydrophobicContact CD1-CG 4.24Å; L119-F187 HydrophobicContact CD2-CD2 3.98Å; L119-F187 HydrophobicContact CD2-CE2 3.67Å; L119-F187 HydrophobicContact CD2-CZ 4.21Å; L119-F187 HydrophobicContact CG-CD2 4.28Å; L119-F187 HydrophobicContact CG-CE2 4.43Å; A150-F187 HydrophobicContact CB-CB 3.66Å; A150-F187 HydrophobicContact CB-CG 4.4Å; W177-F187 HydrophobicContact CH2-CE1 4.18Å; W177-F187 HydrophobicContact CH2-CZ 4.35Å; W177-F187 HydrophobicContact CZ3-CE1 4.21Å; W177-F187 HydrophobicContact CZ3-CZ 4.01Å; A178-F187 HydrophobicContact CB-CE2 4.15Å; A178-F187 HydrophobicContact CB-CZ 4.25Å; A178-F187 WeakPolarHBondContact O-CE2 3.49Å; G182-F187 CarbonylContact C-O 3.6Å; G182-F187 VanDerWaalsContact CA-CZ 3.47Å; G182-F187 PolarHBondContact O-N 2.71Å; F185-F187 HydrophobicContact CB-CD1 3.85Å; F185-F187 HydrophobicContact CB-CE1 3.56Å; F185-F187 PolarHBondContact O-N 3.49Å; F187-K189 PolarHBondContact O-N 2.91Å
188D95.5Very high96.2Very high37 Ų3738.2 Ų38.220%0.19819%0.188CC..EExtended strand (participates in β ladder)trans-77.8110.1177.9-172.8-11.4000110.1L116 P117 D190 N191L116-D188 HydrophobicContact CB-CB 4.06Å; P117-D188 PolarHBondContact O-N 2.85Å; D188-D190 VanDerWaalsContact C-N 3.28Å; D188-D190 PolarHBondContact O-N 2.84Å; D188-D190 PolarHBondContact OD1-N 3.13Å; D188-N191 HydrophobicContact CB-CB 4.41Å; D188-N191 PolarHBondContact OD1-N 3.3Å; D188-N191 PolarHBondContact OD2-ND2 3.29Å
189K95.3Very high96.2Very high65 Ų6538.1 Ų38.128%0.28319%0.187SC..EExtended strand (participates in β ladder)trans-75-15.8179.858.7171.1-165.666.10113.6Q179 F187 I192 S231Q179-K189 PolarHBondContact NE2-O 3.11Å; Q179-K189 WeakPolarHBondContact O-CD 3.45Å; F187-K189 PolarHBondContact O-N 2.91Å; K189-I192 WeakPolarHBondContact O-CD1 3.46Å; K189-I192 WeakPolarHBondContact O-CG1 3.38Å; K189-S231 VanDerWaalsContact O-CB 3.25Å; K189-S231 WeakPolarHBondContact O-CB 3.47Å
190D95.8Very high96.3Very high69 Ų6937 Ų3737%0.36918%0.182SC..EExtended strand (participates in β ladder)trans-98.5-4.5-175.5-60.7-40.8000112.1Q179 D188 S231 R233Q179-D190 PolarHBondContact NE2-OD1 3.05Å; Q179-D190 VanDerWaalsContact NE2-OD1 3.08Å; D188-D190 VanDerWaalsContact C-N 3.28Å; D188-D190 PolarHBondContact O-N 2.84Å; D188-D190 PolarHBondContact OD1-N 3.13Å; D190-S231 WeakPolarHBondContact O-CA 3.28Å; D190-R233 PolarHBondContact O-NE 3.13Å; D190-R233 VanDerWaalsContact O-NE 3.15Å; D190-R233 PolarHBondContact O-NH2 3.32Å
191N96.7Very high96.4Very high33 Ų3331.4 Ų31.418%0.17616%0.156CC..EExtended strand (participates in β ladder)trans-12375.3176.2-75.4-49.8000111.3P118 L119 D188 R233 L365P118-N191 HydrophobicContact CB-CB 4.18Å; L119-N191 PolarHBondContact N-O 3.47Å; D188-N191 HydrophobicContact CB-CB 4.41Å; D188-N191 PolarHBondContact OD1-N 3.3Å; D188-N191 PolarHBondContact OD2-ND2 3.29Å; N191-R233 PolarHBondContact OD1-NE 3Å; N191-R233 PolarHBondContact OD1-NH2 3.04Å; N191-L365 HydrophobicContact CB-CD2 3.95Å
192I98.4Very high96.5Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-104.1128.7-178-52.4-177.5000111.2L119 V121 L175 A178 K189 L194 S231 I232 R233L119-I192 HydrophobicContact CB-CG1 4.28Å; L119-I192 HydrophobicContact CD2-CD1 4.19Å; L119-I192 HydrophobicContact CD2-CG1 4.19Å; L119-I192 HydrophobicContact CD2-CG2 4.38Å; L119-I192 CarbonylContact O-C 3.55Å; L119-I192 VanDerWaalsContact O-CA 3.29Å; L119-I192 WeakPolarHBondContact O-CA 3.42Å; V121-I192 HydrophobicContact CG2-CG2 3.86Å; L175-I192 HydrophobicContact CD2-CD1 4.16Å; L175-I192 HydrophobicContact CD2-CG2 3.88Å; A178-I192 HydrophobicContact CB-CD1 4.14Å; K189-I192 WeakPolarHBondContact O-CD1 3.46Å; K189-I192 WeakPolarHBondContact O-CG1 3.38Å; I192-L194 HydrophobicContact CG2-CD2 4.47Å; I192-S231 WeakPolarHBondContact CA-O 3.31Å; I192-S231 WeakPolarHBondContact CB-O 3.45Å; I192-S231 PolarHBondContact N-O 3.02Å; I192-I232 CarbonylContact O-C 3.54Å; I192-I232 WeakPolarHBondContact O-CA 3.49Å; I192-R233 PolarHBondContact O-N 3.18Å
193V98.8Very high96.7Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-114.1126.5168.9-179.60000109.8L119 V120 V121 V195 R233 I236 F361 L364 L365L119-V193 PolarHBondContact O-N 2.87Å; V120-V193 WeakPolarHBondContact CA-O 3.23Å; V121-V193 PolarHBondContact N-O 3.45Å; V193-V195 HydrophobicContact CG1-CG2 4.16Å; V193-R233 HydrophobicContact CG2-CB 4.25Å; V193-I236 HydrophobicContact CG1-CD1 4.03Å; V193-I236 HydrophobicContact CG1-CG1 3.96Å; V193-F361 HydrophobicContact CB-CD2 3.98Å; V193-F361 HydrophobicContact CB-CE2 3.85Å; V193-F361 HydrophobicContact CG1-CD2 4.14Å; V193-F361 HydrophobicContact CG1-CE2 4.5Å; V193-F361 HydrophobicContact CG2-CD2 3.75Å; V193-F361 HydrophobicContact CG2-CE2 3.63Å; V193-L364 HydrophobicContact CG1-CD1 3.84Å; V193-L364 HydrophobicContact CG2-CB 4.36Å; V193-L364 HydrophobicContact CG2-CD1 4.19Å; V193-L365 HydrophobicContact CG2-CD2 4.4Å
194L98.9Very high97Very high0 Ų021.9 Ų21.90%011%0.111CC..EExtended strand (participates in β ladder)trans-82.9125.3172.6-60-174.4000108.9V121 L175 I192 A208 I232 G234 V235 I236V121-L194 HydrophobicContact CB-CD2 3.8Å; V121-L194 HydrophobicContact CG1-CD2 4.3Å; V121-L194 HydrophobicContact CG2-CD2 4.36Å; L175-L194 HydrophobicContact CD1-CD2 4.37Å; L175-L194 HydrophobicContact CD2-CD2 3.89Å; I192-L194 HydrophobicContact CG2-CD2 4.47Å; L194-A208 HydrophobicContact CD1-CB 4.47Å; L194-I232 HydrophobicContact CD1-CD1 4.46Å; L194-I232 HydrophobicContact CG-CG2 4.49Å; L194-G234 PolarHBondContact N-O 2.71Å; L194-V235 HydrophobicContact CB-CG1 4.28Å; L194-V235 HydrophobicContact CB-CG2 4.26Å; L194-V235 HydrophobicContact CD1-CG2 4.17Å; L194-V235 CarbonylContact O-C 3.54Å; L194-V235 WeakPolarHBondContact O-CA 3.19Å; L194-I236 PolarHBondContact O-N 2.91Å
195V98.9Very high97.3Very high0 Ų014.5 Ų14.50%08%0.079CC..EExtended strand (participates in β ladder)trans-121123.4173.3-176.40000108.1V120 V121 F122 I123 M143 V193 I236 M238V120-V195 HydrophobicContact CG1-CB 3.98Å; V120-V195 HydrophobicContact CG1-CG2 3.53Å; V121-V195 PolarHBondContact O-N 2.99Å; F122-V195 CarbonylContact C-O 3.55Å; F122-V195 VanDerWaalsContact CA-O 3.25Å; F122-V195 WeakPolarHBondContact CA-O 3.44Å; F122-V195 HydrophobicContact CD2-CB 4.2Å; F122-V195 HydrophobicContact CD2-CG1 3.99Å; F122-V195 HydrophobicContact CE2-CG1 4.32Å; I123-V195 PolarHBondContact N-O 3.03Å; M143-V195 HydrophobicContact CE-CG1 3.91Å; V193-V195 HydrophobicContact CG1-CG2 4.16Å; V195-I236 CarbonylContact C-O 3.53Å; V195-I236 WeakPolarHBondContact CA-O 3.36Å; V195-I236 HydrophobicContact CG1-CB 4.38Å; V195-I236 HydrophobicContact CG2-CB 4.12Å; V195-I236 HydrophobicContact CG2-CD1 4.26Å; V195-I236 HydrophobicContact CG2-CG1 4.4Å; V195-M238 HydrophobicContact CG1-CE 4.05Å
196G98.6Very high97.6Very high1 Ų113.7 Ų13.71%0.018%0.075CC..EExtended strand (participates in β ladder)trans-132.1153-177.400000113I123 A201 I236 M238I123-G196 VanDerWaalsContact O-CA 3.31Å; I123-G196 WeakPolarHBondContact O-CA 3.49Å; G196-A201 WeakPolarHBondContact O-CB 3.45Å; G196-I236 PolarHBondContact N-O 2.74Å; G196-M238 WeakPolarHBondContact O-CB 3.46Å; G196-M238 PolarHBondContact O-N 3.48Å
197H98.6Very high97.9Very high13 Ų1311.1 Ų11.16%0.066%0.057CC..EExtended strand (participates in β ladder)trans-118.6135.3171.1170.3-113.4000111.9I123 G125 A199 G200 A201 M238 H335 V339I123-H197 PolarHBondContact O-N 3.41Å; G125-H197 WeakPolarHBondContact CA-O 3.29Å; G125-H197 PolarHBondContact N-O 3.48Å; H197-A199 PolarHBondContact O-N 3.44Å; H197-G200 WeakPolarHBondContact O-CA 3.32Å; H197-G200 PolarHBondContact O-N 2.79Å; H197-A201 PolarHBondContact O-N 2.99Å; H197-M238 CarbonylContact C-O 3.55Å; H197-M238 VanDerWaalsContact CA-O 3.3Å; H197-M238 WeakPolarHBondContact CA-O 3.48Å; H197-M238 HydrophobicContact CB-CE 4.24Å; H197-H335 AromaticContact CE1-CD2 3.99Å; H197-H335 AromaticContact CE1-NE2 3.69Å; H197-H335 AromaticContact NE2-CD2 3.99Å; H197-H335 AromaticContact NE2-CE1 3.91Å; H197-H335 AromaticContact NE2-NE2 3.75Å; H197-H335 PolarHBondContact NE2-O 2.87Å; H197-V339 HydrophobicContact CB-CG2 3.56Å; H197-V339 WeakPolarHBondContact CD2-CG2 3.25Å
198S98Very high98.1Very high12 Ų1211 Ų118%0.0846%0.057CC..THydrogen-bonded Turntrans56.1-121171.5-171.90000111.5G200 A201 H202 M238 S239 H335S198-G200 PolarHBondContact O-N 2.64Å; S198-A201 WeakPolarHBondContact O-CB 3.33Å; S198-A201 PolarHBondContact O-N 3.3Å; S198-A201 VanDerWaalsContact O-N 3.15Å; S198-H202 PolarHBondContact O-N 3Å; S198-H202 VanDerWaalsContact O-N 3.14Å; S198-M238 PolarHBondContact N-O 3.4Å; S198-S239 VanDerWaalsContact CA-O 3.32Å; S198-S239 WeakPolarHBondContact CA-O 3.25Å; S198-H335 VanDerWaalsContact CB-NE2 3.34Å; S198-H335 WeakPolarHBondContact CB-NE2 3.34Å; S198-H335 PolarHBondContact OG-CE1 2.79Å; S198-H335 VanDerWaalsContact OG-CE1 3.3Å; S198-H335 PolarHBondContact OG-NE2 3.08Å
199A98.2Very high98.1Very high0 Ų09.3 Ų9.30%05%0.048CC..Hα-helixtrans-55.3-32.7170.900000113.3W128 H197 H202 L203W128-A199 HydrophobicContact CD2-CB 3.78Å; W128-A199 HydrophobicContact CE3-CB 4.39Å; W128-A199 HydrophobicContact CG-CB 3.96Å; W128-A199 HydrophobicContact CZ2-CB 4.14Å; H197-A199 PolarHBondContact O-N 3.44Å; A199-H202 WeakPolarHBondContact O-CB 3.4Å; A199-H202 PolarHBondContact O-N 3.41Å; A199-L203 VanDerWaalsContact O-CG 3.29Å; A199-L203 WeakPolarHBondContact O-CG 3.23Å; A199-L203 PolarHBondContact O-N 3.34Å
200G98.6Very high98.2Very high0 Ų06.2 Ų6.20%03%0.034CC..Hα-helixtrans-72-33.8176.100000113.8Y124 H197 S198 H202 L203 G204Y124-G200 WeakPolarHBondContact O-CA 3.41Å; Y124-G200 PolarHBondContact O-N 3.5Å; H197-G200 WeakPolarHBondContact O-CA 3.32Å; H197-G200 PolarHBondContact O-N 2.79Å; S198-G200 PolarHBondContact O-N 2.64Å; G200-H202 VanDerWaalsContact C-N 3.31Å; G200-L203 PolarHBondContact O-N 3.4Å; G200-G204 PolarHBondContact O-N 3.27Å
201A98.8Very high98.3Very high1 Ų13 Ų31%0.0082%0.017CC..Hα-helixtrans-65.1-39.2170.800000111G196 H197 S198 A205G196-A201 WeakPolarHBondContact O-CB 3.45Å; H197-A201 PolarHBondContact O-N 2.99Å; S198-A201 WeakPolarHBondContact O-CB 3.33Å; S198-A201 PolarHBondContact O-N 3.3Å; S198-A201 VanDerWaalsContact O-N 3.15Å; A201-A205 WeakPolarHBondContact O-CB 3.4Å; A201-A205 PolarHBondContact O-N 3.32Å
202H98.8Very high98.2Very high0 Ų01.9 Ų1.90%01%0.011CC..Hα-helixtrans-60.3-50.6170.9166.8-97.6000111.3W128 S198 A199 G200 G204 A205 M206 V241 Y275W128-H202 AromaticContact CE2-ND1 3.79Å; W128-H202 HydrophobicContact CZ2-CB 4.26Å; W128-H202 AromaticContact CZ2-ND1 3.89Å; W128-H202 AromaticContact NE1-CE1 3.82Å; W128-H202 AromaticContact NE1-CG 3.98Å; W128-H202 AromaticContact NE1-ND1 3.09Å; W128-H202 PolarHBondContact NE1-ND1 2.8Å; S198-H202 PolarHBondContact O-N 3Å; S198-H202 VanDerWaalsContact O-N 3.14Å; A199-H202 WeakPolarHBondContact O-CB 3.4Å; A199-H202 PolarHBondContact O-N 3.41Å; G200-H202 VanDerWaalsContact C-N 3.31Å; H202-G204 PolarHBondContact O-N 2.74Å; H202-A205 PolarHBondContact O-N 2.89Å; H202-M206 WeakPolarHBondContact NE2-CG 3.27Å; H202-M206 WeakPolarHBondContact O-CB 3.24Å; H202-M206 WeakPolarHBondContact O-CG 3.04Å; H202-M206 PolarHBondContact O-N 3.4Å; H202-V241 HydrophobicContact CB-CB 4.34Å; H202-V241 WeakPolarHBondContact CB-O 3.36Å; H202-V241 PolarHBondContact CD2-O 2.98Å; H202-V241 VanDerWaalsContact CD2-O 3.26Å; H202-Y275 PolarHBondContact NE2-O 3.15Å
203L98.9Very high98Very high0 Ų03.2 Ų3.20%02%0.018CC..Hα-helixtrans-61.6-44.2179.5-70174.2000112.4I123 Y156 V164 M167 I168 I171 A199 G200 A205 M206 T207I123-L203 HydrophobicContact CG2-CB 4.22Å; I123-L203 HydrophobicContact CG2-CD1 4.45Å; Y156-L203 HydrophobicContact CD1-CD1 4.49Å; Y156-L203 HydrophobicContact CD2-CD1 4.02Å; Y156-L203 HydrophobicContact CE1-CD1 4.12Å; Y156-L203 HydrophobicContact CE2-CD1 3.62Å; Y156-L203 HydrophobicContact CG-CD1 4.43Å; V164-L203 HydrophobicContact CG1-CD2 4.36Å; M167-L203 HydrophobicContact CB-CD1 4Å; M167-L203 HydrophobicContact CB-CD2 3.51Å; M167-L203 HydrophobicContact CB-CG 4.42Å; M167-L203 HydrophobicContact CG-CD2 4.49Å; M167-L203 HydrophobicContact SD-CD2 4.41Å; I168-L203 HydrophobicContact CG1-CD2 3.91Å; I171-L203 HydrophobicContact CG1-CB 4.38Å; A199-L203 VanDerWaalsContact O-CG 3.29Å; A199-L203 WeakPolarHBondContact O-CG 3.23Å; A199-L203 PolarHBondContact O-N 3.34Å; G200-L203 PolarHBondContact O-N 3.4Å; L203-A205 PolarHBondContact O-N 3.37Å; L203-M206 PolarHBondContact O-N 3.48Å; L203-T207 WeakPolarHBondContact O-CB 3.29Å; L203-T207 PolarHBondContact O-N 3.34Å; L203-T207 PolarHBondContact O-OG1 3.36Å; L203-T207 VanDerWaalsContact O-OG1 3.07Å
204G98.7Very high97.5Very high1 Ų17.5 Ų7.51%0.015%0.045CC..Hα-helixtrans-60.4-44.2175.900000112.7I123 G200 H202 T207 A208I123-G204 VanDerWaalsContact CD1-CA 3.45Å; G200-G204 PolarHBondContact O-N 3.27Å; H202-G204 PolarHBondContact O-N 2.74Å; G204-T207 PolarHBondContact O-N 3.1Å; G204-A208 PolarHBondContact O-N 3.49Å; G204-A208 VanDerWaalsContact O-N 3.1Å
205A98.6Very high97.1Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-61.9-46.617500000112A201 H202 L203 A208 L209 Y242 P277 F295A201-A205 WeakPolarHBondContact O-CB 3.4Å; A201-A205 PolarHBondContact O-N 3.32Å; H202-A205 PolarHBondContact O-N 2.89Å; L203-A205 PolarHBondContact O-N 3.37Å; A205-A208 PolarHBondContact O-N 3.18Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.24Å; A205-L209 WeakPolarHBondContact O-CG 3.34Å; A205-L209 PolarHBondContact O-N 3.14Å; A205-Y242 HydrophobicContact CB-CD1 4.49Å; A205-Y242 HydrophobicContact CB-CE1 4.27Å; A205-P277 HydrophobicContact CB-CB 4.3Å; A205-P277 HydrophobicContact CB-CG 3.92Å; A205-F295 HydrophobicContact CB-CE1 3.66Å; A205-F295 HydrophobicContact CB-CZ 4.37Å
206M98.5Very high96.5Very high0 Ų019.7 Ų19.70%010%0.098CC..Hα-helixtrans-62.2-44.2179-74.6-62.2-57.300112.3I168 H202 L203 L209 F210 Y275 P277 I280I168-M206 HydrophobicContact CD1-CB 3.71Å; I168-M206 HydrophobicContact CD1-CE 3.78Å; I168-M206 HydrophobicContact CD1-CG 4.23Å; I168-M206 HydrophobicContact CG1-CB 3.86Å; H202-M206 WeakPolarHBondContact NE2-CG 3.27Å; H202-M206 WeakPolarHBondContact O-CB 3.24Å; H202-M206 WeakPolarHBondContact O-CG 3.04Å; H202-M206 PolarHBondContact O-N 3.4Å; L203-M206 PolarHBondContact O-N 3.48Å; M206-L209 PolarHBondContact O-N 2.85Å; M206-F210 HydrophobicContact CE-CD1 3.84Å; M206-F210 HydrophobicContact CE-CE1 3.18Å; M206-F210 HydrophobicContact CE-CE2 4.24Å; M206-F210 HydrophobicContact CE-CZ 3.41Å; M206-F210 VanDerWaalsContact CE-CZ 3.41Å; M206-F210 VanDerWaalsContact O-CB 3.28Å; M206-F210 WeakPolarHBondContact O-CB 3.41Å; M206-F210 WeakPolarHBondContact O-CG 3.4Å; M206-F210 PolarHBondContact O-N 2.87Å; M206-Y275 HydrophobicContact CE-CD1 4.08Å; M206-P277 HydrophobicContact CG-CG 4.13Å; M206-P277 VanDerWaalsContact SD-CD 3.57Å; M206-P277 HydrophobicContact SD-CG 3.83Å; M206-I280 HydrophobicContact CE-CD1 3.59Å; M206-I280 HydrophobicContact SD-CD1 3.55Å; M206-I280 VanDerWaalsContact SD-CD1 3.55Å
207T98.6Very high96Very high0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-61.7-48.6177.7-630000111I168 I171 A172 L175 L203 G204 L209 F210 L211I168-T207 WeakPolarHBondContact CG2-OG1 3.34Å; I168-T207 PolarHBondContact O-OG1 3.07Å; I171-T207 HydrophobicContact CB-CG2 4.42Å; I171-T207 HydrophobicContact CG2-CG2 4.05Å; A172-T207 HydrophobicContact CB-CG2 4.05Å; L175-T207 HydrophobicContact CD1-CG2 4.01Å; L203-T207 WeakPolarHBondContact O-CB 3.29Å; L203-T207 PolarHBondContact O-N 3.34Å; L203-T207 PolarHBondContact O-OG1 3.36Å; L203-T207 VanDerWaalsContact O-OG1 3.07Å; G204-T207 PolarHBondContact O-N 3.1Å; T207-L209 PolarHBondContact O-N 3.08Å; T207-F210 PolarHBondContact O-N 3.48Å; T207-L211 HydrophobicContact CG2-CD1 3.92Å; T207-L211 HydrophobicContact CG2-CG 4.46Å; T207-L211 WeakPolarHBondContact O-CB 3.18Å; T207-L211 VanDerWaalsContact O-CG 3.23Å; T207-L211 WeakPolarHBondContact O-CG 3.34Å; T207-L211 PolarHBondContact O-N 3.18Å
208A98Very high95.6Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-59.1-45.9177.500000112.2L194 G204 A205 L211 L212 V235 P293 F295L194-A208 HydrophobicContact CD1-CB 4.47Å; G204-A208 PolarHBondContact O-N 3.49Å; G204-A208 VanDerWaalsContact O-N 3.1Å; A205-A208 PolarHBondContact O-N 3.18Å; A208-L211 PolarHBondContact O-N 3.06Å; A208-L212 WeakPolarHBondContact O-CB 3.29Å; A208-L212 PolarHBondContact O-N 3.23Å; A208-V235 HydrophobicContact CB-CG2 3.78Å; A208-P293 HydrophobicContact CB-CG 3.97Å; A208-F295 HydrophobicContact CB-CZ 4.45Å
209L97.4Very high95.3Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-70.3-35.6-179.6-68.2171.2000113A205 M206 T207 L212 D213 P277 I280 V281 L284 F295A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.24Å; A205-L209 WeakPolarHBondContact O-CG 3.34Å; A205-L209 PolarHBondContact O-N 3.14Å; M206-L209 PolarHBondContact O-N 2.85Å; T207-L209 PolarHBondContact O-N 3.08Å; L209-L212 HydrophobicContact CD2-CD2 4.49Å; L209-L212 PolarHBondContact O-N 3.2Å; L209-D213 VanDerWaalsContact O-CB 3.29Å; L209-D213 WeakPolarHBondContact O-CB 3.37Å; L209-D213 PolarHBondContact O-N 3.47Å; L209-P277 HydrophobicContact CD1-CB 3.8Å; L209-I280 HydrophobicContact CB-CD1 4.4Å; L209-I280 HydrophobicContact CB-CG2 4.05Å; L209-I280 HydrophobicContact CD1-CB 4.4Å; L209-I280 HydrophobicContact CD1-CD1 4.47Å; L209-I280 HydrophobicContact CD1-CG2 4.5Å; L209-V281 HydrophobicContact CD1-CG2 3.95Å; L209-V281 HydrophobicContact CD2-CG2 3.73Å; L209-L284 HydrophobicContact CD2-CD1 4.1Å; L209-F295 HydrophobicContact CD1-CZ 4.49Å; L209-F295 HydrophobicContact CD2-CE2 4.39Å; L209-F295 HydrophobicContact CD2-CZ 4.29Å; L209-F295 HydrophobicContact CG-CZ 4.12Å
210F97.1Very high95Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-70-37.4176.3-85.122.5000112.1L165 I168 M206 T207 L212 D213 T214 R215 L218 Y275 I280L165-F210 HydrophobicContact CD1-CE2 4.02Å; I168-F210 HydrophobicContact CD1-CD2 4.43Å; I168-F210 HydrophobicContact CD1-CE2 4.08Å; I168-F210 HydrophobicContact CD1-CZ 4.46Å; I168-F210 HydrophobicContact CG2-CD2 4.01Å; I168-F210 HydrophobicContact CG2-CG 4.49Å; M206-F210 HydrophobicContact CE-CD1 3.84Å; M206-F210 HydrophobicContact CE-CE1 3.18Å; M206-F210 HydrophobicContact CE-CE2 4.24Å; M206-F210 HydrophobicContact CE-CZ 3.41Å; M206-F210 VanDerWaalsContact CE-CZ 3.41Å; M206-F210 VanDerWaalsContact O-CB 3.28Å; M206-F210 WeakPolarHBondContact O-CB 3.41Å; M206-F210 WeakPolarHBondContact O-CG 3.4Å; M206-F210 PolarHBondContact O-N 2.87Å; T207-F210 PolarHBondContact O-N 3.48Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-D213 PolarHBondContact O-N 2.94Å; F210-T214 PolarHBondContact O-N 3.09Å; F210-R215 HydrophobicContact CB-CB 4.18Å; F210-R215 HydrophobicContact CB-CG 4.09Å; F210-R215 HydrophobicContact CD1-CG 3.91Å; F210-R215 HydrophobicContact CD2-CB 4.19Å; F210-R215 HydrophobicContact CD2-CG 4.2Å; F210-R215 HydrophobicContact CE1-CG 4.3Å; F210-R215 HydrophobicContact CG-CB 4.15Å; F210-R215 HydrophobicContact CG-CG 3.83Å; F210-R215 PolarHBondContact O-N 3.49Å; F210-L218 HydrophobicContact CB-CD1 3.48Å; F210-L218 VanDerWaalsContact CB-CD1 3.48Å; F210-L218 HydrophobicContact CB-CG 4.05Å; F210-L218 HydrophobicContact CD2-CD1 4.31Å; F210-L218 HydrophobicContact CD2-CD2 4.16Å; F210-L218 HydrophobicContact CD2-CG 4.02Å; F210-L218 HydrophobicContact CG-CD1 4.44Å; F210-Y275 HydrophobicContact CZ-CD1 4.46Å; F210-I280 HydrophobicContact CD1-CD1 3.91Å; F210-I280 HydrophobicContact CE1-CD1 3.53Å; F210-I280 HydrophobicContact CE1-CG1 4.44Å
211L96.6Very high94.7Very high1 Ų133 Ų331%0.00517%0.166CC..Hα-helixtrans-63.3-42.7172.6-71168.1000110.9L175 T207 A208 T214 L218 I220 Q225 I228 L229 I232L175-L211 HydrophobicContact CD1-CD1 4.21Å; T207-L211 HydrophobicContact CG2-CD1 3.92Å; T207-L211 HydrophobicContact CG2-CG 4.46Å; T207-L211 WeakPolarHBondContact O-CB 3.18Å; T207-L211 VanDerWaalsContact O-CG 3.23Å; T207-L211 WeakPolarHBondContact O-CG 3.34Å; T207-L211 PolarHBondContact O-N 3.18Å; A208-L211 PolarHBondContact O-N 3.06Å; L211-T214 PolarHBondContact O-N 3.09Å; L211-L218 HydrophobicContact CD2-CD1 4.2Å; L211-L218 HydrophobicContact CG-CD1 4.27Å; L211-I220 HydrophobicContact CD2-CD1 3.84Å; L211-Q225 HydrophobicContact CD2-CB 4.44Å; L211-Q225 HydrophobicContact CD2-CG 3.83Å; L211-Q225 PolarHBondContact O-NE2 3.25Å; L211-I228 HydrophobicContact CD1-CG2 3.76Å; L211-L229 HydrophobicContact CB-CD1 4.3Å; L211-I232 HydrophobicContact CD1-CD1 3.93Å
212L95.3Very high94.3Very high10 Ų1037.2 Ų37.25%0.05220%0.196CC..Hα-helixtrans-65-43.4176.6-177.669.1000112.7A208 L209 F210 T214 L229 L284 K288 K291 A292A208-L212 WeakPolarHBondContact O-CB 3.29Å; A208-L212 PolarHBondContact O-N 3.23Å; L209-L212 HydrophobicContact CD2-CD2 4.49Å; L209-L212 PolarHBondContact O-N 3.2Å; F210-L212 VanDerWaalsContact C-N 3.34Å; L212-T214 PolarHBondContact O-N 3.43Å; L212-L229 HydrophobicContact CB-CD1 4.3Å; L212-L229 HydrophobicContact CD1-CD1 4.49Å; L212-L229 HydrophobicContact CD1-CD2 3.99Å; L212-L284 HydrophobicContact CD2-CD1 3.81Å; L212-K288 WeakPolarHBondContact CD1-O 3.26Å; L212-K288 WeakPolarHBondContact CD2-O 3.22Å; L212-K288 HydrophobicContact CG-CB 4.38Å; L212-K291 HydrophobicContact CD1-CB 3.97Å; L212-A292 HydrophobicContact CD2-CB 3.6Å
213D93.6Very high93.9Very high28 Ų2844.3 Ų44.315%0.1523%0.227CC..THydrogen-bonded Turntrans-80.4-0.6-176.5-164.731.6000113.6L209 F210 R215 L284 K288L209-D213 VanDerWaalsContact O-CB 3.29Å; L209-D213 WeakPolarHBondContact O-CB 3.37Å; L209-D213 PolarHBondContact O-N 3.47Å; F210-D213 PolarHBondContact O-N 2.94Å; D213-R215 VanDerWaalsContact C-N 3.29Å; D213-R215 HydrophobicContact CB-CG 4.21Å; D213-R215 PolarHBondContact O-N 3.44Å; D213-R215 IonicContact OD2-CZ 2.84Å; D213-R215 VanDerWaalsContact OD2-CZ 3.3Å; D213-R215 IonicContact OD2-NE 3.85Å; D213-R215 PolarHBondContact OD2-NE 2.81Å; D213-R215 IonicContact OD2-NH1 3.77Å; D213-R215 IonicContact OD2-NH2 2.63Å; D213-L284 HydrophobicContact CB-CD2 3.84Å; D213-K288 PolarHBondContact O-NZ 2.63Å; D213-K288 IonicContact OD1-NZ 2.7Å; D213-K288 PolarHBondContact OD1-NZ 3.33Å
214T89.8Confident93.7Very high91 Ų9147.2 Ų47.256%0.55824%0.239SC*.THydrogen-bonded Turntrans53.445.9-178.360.80000112.9F210 L211 L212 E216F210-T214 PolarHBondContact O-N 3.09Å; L211-T214 PolarHBondContact O-N 3.09Å; L212-T214 PolarHBondContact O-N 3.43Å; T214-E216 PolarHBondContact O-N 3.11Å
215R89Confident93.5Very high71 Ų7147.8 Ų47.827%0.26824%0.242SC..  trans-66.2114.7178.2-73.1-58.8-159.8178.8-1.3111F210 D213 E217 L218F210-R215 HydrophobicContact CB-CB 4.18Å; F210-R215 HydrophobicContact CB-CG 4.09Å; F210-R215 HydrophobicContact CD1-CG 3.91Å; F210-R215 HydrophobicContact CD2-CB 4.19Å; F210-R215 HydrophobicContact CD2-CG 4.2Å; F210-R215 HydrophobicContact CE1-CG 4.3Å; F210-R215 HydrophobicContact CG-CB 4.15Å; F210-R215 HydrophobicContact CG-CG 3.83Å; F210-R215 PolarHBondContact O-N 3.49Å; D213-R215 VanDerWaalsContact C-N 3.29Å; D213-R215 HydrophobicContact CB-CG 4.21Å; D213-R215 PolarHBondContact O-N 3.44Å; D213-R215 IonicContact OD2-CZ 2.84Å; D213-R215 VanDerWaalsContact OD2-CZ 3.3Å; D213-R215 IonicContact OD2-NE 3.85Å; D213-R215 PolarHBondContact OD2-NE 2.81Å; D213-R215 IonicContact OD2-NH1 3.77Å; D213-R215 IonicContact OD2-NH2 2.63Å; R215-E217 VanDerWaalsContact CB-OE2 3.26Å; R215-E217 WeakPolarHBondContact CB-OE2 3.44Å; R215-E217 WeakPolarHBondContact CD-OE2 3.47Å; R215-E217 PolarHBondContact O-N 3.3Å; R215-E217 VanDerWaalsContact O-N 3.08Å; R215-L218 PolarHBondContact O-N 3.06Å
216E86.3Confident93.2Very high184 Ų18453.7 Ų53.786%0.8627%0.269SS*.THydrogen-bonded Turntrans-59.3-20.3178.2-63.6-178.1176.100113.2T214 L218T214-E216 PolarHBondContact O-N 3.11Å; E216-L218 PolarHBondContact O-N 3.4Å
217E89.1Confident93Very high52 Ų5257.6 Ų57.624%0.24329%0.287CS..THydrogen-bonded Turntrans-67.5-21.3176.2-56.1101.2143.200113.4L165 R215 V219 R274L165-E217 HydrophobicContact CD1-CB 3.83Å; L165-E217 HydrophobicContact CD2-CB 4.08Å; R215-E217 VanDerWaalsContact CB-OE2 3.26Å; R215-E217 WeakPolarHBondContact CB-OE2 3.44Å; R215-E217 WeakPolarHBondContact CD-OE2 3.47Å; R215-E217 PolarHBondContact O-N 3.3Å; R215-E217 VanDerWaalsContact O-N 3.08Å; E217-V219 PolarHBondContact O-N 3.28Å; E217-R274 VanDerWaalsContact CD-NH2 3.3Å; E217-R274 VanDerWaalsContact CG-NH2 3.25Å; E217-R274 IonicContact OE1-CZ 2.77Å; E217-R274 IonicContact OE1-NH1 3.65Å; E217-R274 PolarHBondContact OE1-NH1 2.91Å; E217-R274 IonicContact OE1-NH2 3.65Å; E217-R274 PolarHBondContact OE1-NH2 2.82Å
218L89.6Confident92.9Very high4 Ų457.7 Ų57.72%0.02129%0.288CS..SBendtrans-82.7108.1165-65.5-170.5000108.5I168 F210 L211 R215 E216 I220I168-L218 HydrophobicContact CG2-CD2 3.84Å; F210-L218 HydrophobicContact CB-CD1 3.48Å; F210-L218 VanDerWaalsContact CB-CD1 3.48Å; F210-L218 HydrophobicContact CB-CG 4.05Å; F210-L218 HydrophobicContact CD2-CD1 4.31Å; F210-L218 HydrophobicContact CD2-CD2 4.16Å; F210-L218 HydrophobicContact CD2-CG 4.02Å; F210-L218 HydrophobicContact CG-CD1 4.44Å; L211-L218 HydrophobicContact CD2-CD1 4.2Å; L211-L218 HydrophobicContact CG-CD1 4.27Å; R215-L218 PolarHBondContact O-N 3.06Å; E216-L218 PolarHBondContact O-N 3.4Å; L218-I220 HydrophobicContact CB-CD1 4.03Å; L218-I220 HydrophobicContact CB-CG1 4.21Å; L218-I220 HydrophobicContact CD1-CD1 4.31Å; L218-I220 PolarHBondContact O-N 3.02Å
219V91.8Very high92.7Very high99 Ų9959.6 Ų59.660%0.630%0.298SS*.  trans-79.878.5-178.4-178.80000108.2R98 E217R98-V219 PolarHBondContact NH1-O 2.97Å; R98-V219 PolarHBondContact NH2-O 2.97Å; E217-V219 PolarHBondContact O-N 3.28Å
220I92.1Very high92.6Very high23 Ų2366.1 Ų66.112%0.11833%0.329CS..  trans-134.5137.5-177.4-52.6175.5000108.2A172 I176 L211 L218 S222 K224 Q225A172-I220 HydrophobicContact CB-CD1 3.61Å; I176-I220 HydrophobicContact CD1-CD1 4.45Å; I176-I220 HydrophobicContact CD1-CG1 4.21Å; I176-I220 HydrophobicContact CD1-CG2 4.06Å; L211-I220 HydrophobicContact CD2-CD1 3.84Å; L218-I220 HydrophobicContact CB-CD1 4.03Å; L218-I220 HydrophobicContact CB-CG1 4.21Å; L218-I220 HydrophobicContact CD1-CD1 4.31Å; L218-I220 PolarHBondContact O-N 3.02Å; I220-S222 PolarHBondContact O-N 3.35Å; I220-K224 HydrophobicContact CG2-CB 4.08Å; I220-Q225 HydrophobicContact CB-CB 4.49Å; I220-Q225 HydrophobicContact CG2-CB 3.96Å
221E91.8Very high92.6Very high127 Ų12766.2 Ų66.259%0.59333%0.329SS*.  trans-62.3134.6173.1-67.3167.5-161.700110.8K223 K224 Q225E221-K223 PolarHBondContact O-N 3.35Å; E221-K223 VanDerWaalsContact O-N 3.09Å; E221-K224 HydrophobicContact CB-CB 4.42Å; E221-K224 HydrophobicContact CB-CG 4.28Å; E221-K224 PolarHBondContact O-N 2.83Å; E221-K224 WeakPolarHBondContact OE2-CE 3.23Å; E221-Q225 PolarHBondContact O-N 3.18Å
222S90.3Very high92.6Very high91 Ų9166.7 Ų66.764%0.63633%0.332SS*.Hα-helixtrans-54.3-37.5-173.3-46.10000113.6I220 Q225 Q226I220-S222 PolarHBondContact O-N 3.35Å; S222-Q225 PolarHBondContact O-N 3.12Å; S222-Q226 WeakPolarHBondContact O-CG 3.45Å; S222-Q226 PolarHBondContact O-N 3.47Å; S222-Q226 VanDerWaalsContact O-N 3.08Å
223K91.8Very high92.7Very high148 Ų14868.5 Ų68.564%0.64334%0.338SS*.Hα-helixtrans-65.5-46.6176.8-174179.5179.1-178.50112E221 Q225 Q226 Q227E221-K223 PolarHBondContact O-N 3.35Å; E221-K223 VanDerWaalsContact O-N 3.09Å; K223-Q225 VanDerWaalsContact C-N 3.31Å; K223-Q225 PolarHBondContact O-N 3.47Å; K223-Q226 PolarHBondContact O-N 2.74Å; K223-Q227 WeakPolarHBondContact O-CG 3.5Å; K223-Q227 PolarHBondContact O-N 2.82Å; K223-Q227 VanDerWaalsContact O-N 3.09Å
224K93.8Very high92.9Very high61 Ų6167.2 Ų67.227%0.26533%0.331SS..Hα-helixtrans-63.6-40.2177.4-67.6-168.1-178.3-166.30111I176 E180 I220 E221 Q226 Q227 I228I176-K224 HydrophobicContact CG2-CD 4.48Å; E180-K224 IonicContact OE1-NZ 2.68Å; E180-K224 PolarHBondContact OE1-NZ 2.87Å; I220-K224 HydrophobicContact CG2-CB 4.08Å; E221-K224 HydrophobicContact CB-CB 4.42Å; E221-K224 HydrophobicContact CB-CG 4.28Å; E221-K224 PolarHBondContact O-N 2.83Å; E221-K224 WeakPolarHBondContact OE2-CE 3.23Å; K224-Q226 PolarHBondContact O-N 2.62Å; K224-Q227 PolarHBondContact O-N 3.44Å; K224-I228 WeakPolarHBondContact O-CD1 3.36Å; K224-I228 VanDerWaalsContact O-CG1 3.26Å; K224-I228 WeakPolarHBondContact O-CG1 3.29Å; K224-I228 PolarHBondContact O-N 3.03Å
225Q94.4Very high93.4Very high14 Ų1463 Ų637%0.06531%0.305CS..Hα-helixtrans-59.5-45.2176.6170.6163.8-1.500112.5L211 I220 E221 S222 K223 I228 L229L211-Q225 HydrophobicContact CD2-CB 4.44Å; L211-Q225 HydrophobicContact CD2-CG 3.83Å; L211-Q225 PolarHBondContact O-NE2 3.25Å; I220-Q225 HydrophobicContact CB-CB 4.49Å; I220-Q225 HydrophobicContact CG2-CB 3.96Å; E221-Q225 PolarHBondContact O-N 3.18Å; S222-Q225 PolarHBondContact O-N 3.12Å; K223-Q225 VanDerWaalsContact C-N 3.31Å; K223-Q225 PolarHBondContact O-N 3.47Å; Q225-I228 PolarHBondContact O-N 3.14Å; Q225-L229 WeakPolarHBondContact O-CB 3.27Å; Q225-L229 PolarHBondContact O-N 2.68Å
226Q92.6Very high93.8Very high123 Ų12359.6 Ų59.658%0.57529%0.292SS*.Hα-helixtrans-63.5-44176.1-73.4174.6-4.400112S222 K223 K224 I228 L229 Q230S222-Q226 WeakPolarHBondContact O-CG 3.45Å; S222-Q226 PolarHBondContact O-N 3.47Å; S222-Q226 VanDerWaalsContact O-N 3.08Å; K223-Q226 PolarHBondContact O-N 2.74Å; K224-Q226 PolarHBondContact O-N 2.62Å; Q226-I228 PolarHBondContact O-N 3.18Å; Q226-L229 PolarHBondContact O-N 3.11Å; Q226-Q230 VanDerWaalsContact O-CG 3.3Å; Q226-Q230 WeakPolarHBondContact O-CG 3.2Å; Q226-Q230 PolarHBondContact O-N 3.39Å
227Q94.4Very high94.4Very high82 Ų8250.9 Ų50.938%0.38325%0.251SS..Hα-helixtrans-60.1-45.3177.4-72.4174.4-27.800111.9K223 K224 Q230 S231K223-Q227 WeakPolarHBondContact O-CG 3.5Å; K223-Q227 PolarHBondContact O-N 2.82Å; K223-Q227 VanDerWaalsContact O-N 3.09Å; K224-Q227 PolarHBondContact O-N 3.44Å; Q227-Q230 PolarHBondContact O-N 3.27Å; Q227-S231 PolarHBondContact O-N 3.43Å; Q227-S231 VanDerWaalsContact O-N 3.11Å
228I95.6Very high94.9Very high2 Ų248.4 Ų48.41%0.0124%0.24CC..Hα-helixtrans-63.3-47.3177.7-69.4161.7000110.6L175 I176 Q179 L211 K224 Q225 Q226 Q230 S231 I232L175-I228 HydrophobicContact CB-CD1 4.45Å; L175-I228 HydrophobicContact CB-CG1 4.43Å; L175-I228 HydrophobicContact CB-CG2 3.59Å; L175-I228 HydrophobicContact CD1-CG2 3.77Å; L175-I228 HydrophobicContact CG-CG2 4.24Å; I176-I228 HydrophobicContact CB-CD1 4.17Å; I176-I228 HydrophobicContact CD1-CD1 4.46Å; I176-I228 HydrophobicContact CG1-CD1 3.31Å; Q179-I228 HydrophobicContact CG-CG1 4.1Å; L211-I228 HydrophobicContact CD1-CG2 3.76Å; K224-I228 WeakPolarHBondContact O-CD1 3.36Å; K224-I228 VanDerWaalsContact O-CG1 3.26Å; K224-I228 WeakPolarHBondContact O-CG1 3.29Å; K224-I228 PolarHBondContact O-N 3.03Å; Q225-I228 PolarHBondContact O-N 3.14Å; Q226-I228 PolarHBondContact O-N 3.18Å; I228-Q230 VanDerWaalsContact C-N 3.27Å; I228-Q230 PolarHBondContact O-N 3.07Å; I228-S231 WeakPolarHBondContact CA-OG 3.2Å; I228-S231 PolarHBondContact O-N 2.93Å; I228-S231 VanDerWaalsContact O-N 3.09Å; I228-S231 PolarHBondContact O-OG 2.97Å; I228-I232 HydrophobicContact CG2-CD1 4.24Å; I228-I232 WeakPolarHBondContact O-CG1 3.4Å; I228-I232 PolarHBondContact O-N 3.42Å
229L95.2Very high95.3Very high40 Ų4048.2 Ų48.221%0.20924%0.239CC..Hα-helixtrans-58.2-41.6179.4-177.664.4000111.6L211 L212 Q225 Q226 S231 I232L211-L229 HydrophobicContact CB-CD1 4.3Å; L212-L229 HydrophobicContact CB-CD1 4.3Å; L212-L229 HydrophobicContact CD1-CD1 4.49Å; L212-L229 HydrophobicContact CD1-CD2 3.99Å; Q225-L229 WeakPolarHBondContact O-CB 3.27Å; Q225-L229 PolarHBondContact O-N 2.68Å; Q226-L229 PolarHBondContact O-N 3.11Å; L229-S231 VanDerWaalsContact C-N 3.3Å; L229-S231 PolarHBondContact O-N 3.46Å; L229-I232 PolarHBondContact O-N 3.23Å
230Q94.9Very high95.6Very high138 Ų13843.5 Ų43.565%0.64521%0.21SC*.Hα-helixtrans-65.1-31.7177.2-73.7171.5-7.300113.2Q226 Q227 I228 I232Q226-Q230 VanDerWaalsContact O-CG 3.3Å; Q226-Q230 WeakPolarHBondContact O-CG 3.2Å; Q226-Q230 PolarHBondContact O-N 3.39Å; Q227-Q230 PolarHBondContact O-N 3.27Å; I228-Q230 VanDerWaalsContact C-N 3.27Å; I228-Q230 PolarHBondContact O-N 3.07Å; Q230-I232 VanDerWaalsContact C-N 3.34Å
231S96.6Very high95.9Very high2 Ų242.4 Ų42.41%0.01421%0.205CC..Hα-helixtrans-77.1-16.8176.965.50000114.8Q179 K189 D190 I192 Q227 I228 L229 R233Q179-S231 PolarHBondContact NE2-OG 3.37Å; K189-S231 VanDerWaalsContact O-CB 3.25Å; K189-S231 WeakPolarHBondContact O-CB 3.47Å; D190-S231 WeakPolarHBondContact O-CA 3.28Å; I192-S231 WeakPolarHBondContact CA-O 3.31Å; I192-S231 WeakPolarHBondContact CB-O 3.45Å; I192-S231 PolarHBondContact N-O 3.02Å; Q227-S231 PolarHBondContact O-N 3.43Å; Q227-S231 VanDerWaalsContact O-N 3.11Å; I228-S231 WeakPolarHBondContact CA-OG 3.2Å; I228-S231 PolarHBondContact O-N 2.93Å; I228-S231 VanDerWaalsContact O-N 3.09Å; I228-S231 PolarHBondContact O-OG 2.97Å; L229-S231 VanDerWaalsContact C-N 3.3Å; L229-S231 PolarHBondContact O-N 3.46Å; S231-R233 PolarHBondContact O-N 2.91Å
232I97.7Very high96.2Very high10 Ų1036.4 Ų36.45%0.05118%0.177CC..EExtended strand (participates in β ladder)trans-80.1108.8178.7-62.7165.9000108.8L175 I192 L194 L211 I228 L229 Q230 P293L175-I232 HydrophobicContact CD1-CD1 4.01Å; I192-I232 CarbonylContact O-C 3.54Å; I192-I232 WeakPolarHBondContact O-CA 3.49Å; L194-I232 HydrophobicContact CD1-CD1 4.46Å; L194-I232 HydrophobicContact CG-CG2 4.49Å; L211-I232 HydrophobicContact CD1-CD1 3.93Å; I228-I232 HydrophobicContact CG2-CD1 4.24Å; I228-I232 WeakPolarHBondContact O-CG1 3.4Å; I228-I232 PolarHBondContact O-N 3.42Å; L229-I232 PolarHBondContact O-N 3.23Å; Q230-I232 VanDerWaalsContact C-N 3.34Å; I232-P293 HydrophobicContact CG2-CB 4Å; I232-P293 HydrophobicContact CG2-CG 4.38Å
233R97.3Very high96.6Very high49 Ų4932.6 Ų32.619%0.18515%0.15CC..EExtended strand (participates in β ladder)trans-80.4-27.2176.5-56.4-46.5-167.6165.47.9112.7D190 N191 I192 V193 S231 L364 L365 S368D190-R233 PolarHBondContact O-NE 3.13Å; D190-R233 VanDerWaalsContact O-NE 3.15Å; D190-R233 PolarHBondContact O-NH2 3.32Å; N191-R233 PolarHBondContact OD1-NE 3Å; N191-R233 PolarHBondContact OD1-NH2 3.04Å; I192-R233 PolarHBondContact O-N 3.18Å; V193-R233 HydrophobicContact CG2-CB 4.25Å; S231-R233 PolarHBondContact O-N 2.91Å; R233-L364 HydrophobicContact CB-CB 4.3Å; R233-L364 WeakPolarHBondContact O-CD2 3.39Å; R233-L365 HydrophobicContact CG-CD2 4.24Å; R233-S368 VanDerWaalsContact NH1-CB 3.34Å; R233-S368 PolarHBondContact NH1-O 3.48Å
234G97.9Very high96.9Very high0 Ų025.5 Ų25.50%012%0.119CC..EExtended strand (participates in β ladder)trans178.1175.9174.500000114.9L194 R294L194-G234 PolarHBondContact N-O 2.71Å; G234-R294 CarbonylContact C-O 3.47Å; G234-R294 WeakPolarHBondContact CA-O 3.5Å
235V98.7Very high97.1Very high2 Ų226.4 Ų26.41%0.01213%0.125CC..EExtended strand (participates in β ladder)trans-124.5115177.7-173.60000109.8L194 A208 P293 R294 F295 V296L194-V235 HydrophobicContact CB-CG1 4.28Å; L194-V235 HydrophobicContact CB-CG2 4.26Å; L194-V235 HydrophobicContact CD1-CG2 4.17Å; L194-V235 CarbonylContact O-C 3.54Å; L194-V235 WeakPolarHBondContact O-CA 3.19Å; A208-V235 HydrophobicContact CB-CG2 3.78Å; V235-P293 HydrophobicContact CG2-CG 4.47Å; V235-R294 PolarHBondContact N-O 2.84Å; V235-F295 HydrophobicContact CB-CD1 3.87Å; V235-F295 HydrophobicContact CB-CE1 3.83Å; V235-F295 HydrophobicContact CB-CG 4.4Å; V235-F295 HydrophobicContact CB-CZ 4.35Å; V235-F295 HydrophobicContact CG1-CD1 4.17Å; V235-F295 HydrophobicContact CG1-CE1 3.97Å; V235-F295 HydrophobicContact CG2-CE1 4.08Å; V235-F295 HydrophobicContact CG2-CZ 4.12Å; V235-F295 CarbonylContact O-C 3.48Å; V235-F295 WeakPolarHBondContact O-CA 3.4Å; V235-V296 PolarHBondContact O-N 2.96Å
236I98.8Very high97.2Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-97.6107.2171.7-50.2-176.4000108.6V193 L194 V195 G196 V296 L298 I357 F361 L364V193-I236 HydrophobicContact CG1-CD1 4.03Å; V193-I236 HydrophobicContact CG1-CG1 3.96Å; L194-I236 PolarHBondContact O-N 2.91Å; V195-I236 CarbonylContact C-O 3.53Å; V195-I236 WeakPolarHBondContact CA-O 3.36Å; V195-I236 HydrophobicContact CG1-CB 4.38Å; V195-I236 HydrophobicContact CG2-CB 4.12Å; V195-I236 HydrophobicContact CG2-CD1 4.26Å; V195-I236 HydrophobicContact CG2-CG1 4.4Å; G196-I236 PolarHBondContact N-O 2.74Å; I236-V296 CarbonylContact C-O 3.55Å; I236-V296 WeakPolarHBondContact CA-O 3.34Å; I236-V296 HydrophobicContact CB-CB 4.43Å; I236-V296 HydrophobicContact CG1-CB 4.09Å; I236-V296 HydrophobicContact CG1-CG2 4.46Å; I236-V296 HydrophobicContact CG2-CB 4.37Å; I236-V296 HydrophobicContact CG2-CG1 4.25Å; I236-L298 HydrophobicContact CG2-CD1 4.01Å; I236-I357 HydrophobicContact CD1-CG2 4.12Å; I236-F361 HydrophobicContact CD1-CB 4.46Å; I236-L364 HydrophobicContact CD1-CD1 4.25Å; I236-L364 HydrophobicContact CG1-CD1 4.08Å
237G98.7Very high97.5Very high1 Ų122.9 Ų22.91%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-103.3119.6178.200000112.1Y242 V296 L298G237-Y242 WeakPolarHBondContact CA-OH 3.31Å; G237-V296 PolarHBondContact N-O 2.94Å; G237-L298 PolarHBondContact O-N 2.83Å
238M98.6Very high97.6Very high0 Ų019.8 Ų19.80%010%0.095CC..EExtended strand (participates in β ladder)trans-102.8121.2178.3-57.5-174.8-63.900110.7F122 V195 G196 H197 S198 G240 L298 M338 V339 L342 I357F122-M238 HydrophobicContact CE2-CE 3.8Å; V195-M238 HydrophobicContact CG1-CE 4.05Å; G196-M238 WeakPolarHBondContact O-CB 3.46Å; G196-M238 PolarHBondContact O-N 3.48Å; H197-M238 CarbonylContact C-O 3.55Å; H197-M238 VanDerWaalsContact CA-O 3.3Å; H197-M238 WeakPolarHBondContact CA-O 3.48Å; H197-M238 HydrophobicContact CB-CE 4.24Å; S198-M238 PolarHBondContact N-O 3.4Å; M238-G240 PolarHBondContact O-N 3.09Å; M238-G240 VanDerWaalsContact O-N 3.13Å; M238-L298 CarbonylContact C-O 3.57Å; M238-L298 WeakPolarHBondContact CA-O 3.47Å; M238-L298 HydrophobicContact CG-CB 4.27Å; M238-M338 HydrophobicContact CB-CG 3.75Å; M238-M338 HydrophobicContact CB-SD 4.14Å; M238-M338 HydrophobicContact CG-SD 4.49Å; M238-V339 HydrophobicContact CE-CG2 4.28Å; M238-L342 HydrophobicContact CE-CD1 4.25Å; M238-L342 HydrophobicContact SD-CD1 3.95Å; M238-I357 HydrophobicContact SD-CD1 3.77Å
239S98.4Very high97.6Very high0 Ų023.3 Ų23.30%011%0.112CC..SBendtrans48.938.8-178.3-74.60000113.3S198 L298 D303S198-S239 VanDerWaalsContact CA-O 3.32Å; S198-S239 WeakPolarHBondContact CA-O 3.25Å; S239-L298 PolarHBondContact N-O 3.05Å; S239-D303 WeakPolarHBondContact CB-OD2 3.34Å; S239-D303 PolarHBondContact OG-OD2 3.31Å
240G98.2Very high97.6Very high0 Ų023.2 Ų23.20%011%0.11CC..  trans-80.7157.5-170.800000115M238 Y242 V306 S310M238-G240 PolarHBondContact O-N 3.09Å; M238-G240 VanDerWaalsContact O-N 3.13Å; G240-Y242 VanDerWaalsContact C-CE2 3.49Å; G240-Y242 WeakPolarHBondContact O-CD2 3.46Å; G240-Y242 VanDerWaalsContact O-CE2 3.23Å; G240-Y242 WeakPolarHBondContact O-CE2 3.45Å; G240-V306 WeakPolarHBondContact O-CG1 3.14Å; G240-S310 PolarHBondContact O-OG 2.59Å
241V98.5Very high97.6Very high0 Ų017 Ų170%08%0.081CC..  trans-98.2117.8173.9-176.40000109.9W128 H202 I244 H247 V306W128-V241 HydrophobicContact CH2-CB 4.35Å; W128-V241 HydrophobicContact CH2-CG1 4.46Å; W128-V241 HydrophobicContact CH2-CG2 4.08Å; W128-V241 HydrophobicContact CZ2-CB 4.38Å; W128-V241 HydrophobicContact CZ2-CG2 4.46Å; H202-V241 HydrophobicContact CB-CB 4.34Å; H202-V241 WeakPolarHBondContact CB-O 3.36Å; H202-V241 PolarHBondContact CD2-O 2.98Å; H202-V241 VanDerWaalsContact CD2-O 3.26Å; V241-I244 HydrophobicContact CG1-CD1 3.87Å; V241-H247 HydrophobicContact CG1-CB 3.61Å; V241-V306 HydrophobicContact CG2-CB 4.48Å; V241-V306 HydrophobicContact CG2-CG1 3.85Å; V241-V306 HydrophobicContact CG2-CG2 3.71Å
242Y98.6Very high97.3Very high1 Ų119.9 Ų19.90%0.0049%0.094CC..  trans-114.2-12.8-176.5-55.9-80.2000114.6A205 G237 G240 P277 M278 L297 S310 S311 F314A205-Y242 HydrophobicContact CB-CD1 4.49Å; A205-Y242 HydrophobicContact CB-CE1 4.27Å; G237-Y242 WeakPolarHBondContact CA-OH 3.31Å; G240-Y242 VanDerWaalsContact C-CE2 3.49Å; G240-Y242 WeakPolarHBondContact O-CD2 3.46Å; G240-Y242 VanDerWaalsContact O-CE2 3.23Å; G240-Y242 WeakPolarHBondContact O-CE2 3.45Å; Y242-P277 HydrophobicContact CD1-CB 4.15Å; Y242-P277 HydrophobicContact CD1-CG 4.26Å; Y242-P277 VanDerWaalsContact O-CD 3.26Å; Y242-P277 WeakPolarHBondContact O-CD 3.3Å; Y242-M278 WeakPolarHBondContact O-CB 3.39Å; Y242-M278 WeakPolarHBondContact O-CG 3.5Å; Y242-M278 PolarHBondContact O-N 3.06Å; Y242-L297 HydrophobicContact CE1-CD2 3.9Å; Y242-L297 HydrophobicContact CE2-CD2 4.15Å; Y242-L297 VanDerWaalsContact OH-CD2 3.31Å; Y242-L297 WeakPolarHBondContact OH-CD2 3.13Å; Y242-S310 PolarHBondContact N-OG 3.49Å; Y242-S311 WeakPolarHBondContact CE2-OG 3.12Å; Y242-F314 HydrophobicContact CD1-CB 4.38Å; Y242-F314 AromaticContact CD1-CD1 3.55Å; Y242-F314 HydrophobicContact CD1-CD1 3.55Å; Y242-F314 HydrophobicContact CD1-CD2 4.37Å; Y242-F314 AromaticContact CD1-CE1 3.88Å; Y242-F314 HydrophobicContact CD1-CE1 3.88Å; Y242-F314 AromaticContact CD1-CG 3.85Å; Y242-F314 HydrophobicContact CD1-CG 3.85Å; Y242-F314 HydrophobicContact CD1-CZ 4.4Å; Y242-F314 HydrophobicContact CD2-CB 4.11Å; Y242-F314 HydrophobicContact CD2-CD1 4.39Å; Y242-F314 HydrophobicContact CD2-CG 4.44Å; Y242-F314 AromaticContact CE1-CD1 3.94Å; Y242-F314 HydrophobicContact CE1-CD1 3.94Å; Y242-F314 HydrophobicContact CE1-CE1 4.11Å; Y242-F314 HydrophobicContact CG-CB 3.76Å; Y242-F314 AromaticContact CG-CD1 3.81Å; Y242-F314 HydrophobicContact CG-CD1 3.81Å; Y242-F314 HydrophobicContact CG-CD2 4.39Å; Y242-F314 AromaticContact CG-CG 3.73Å; Y242-F314 HydrophobicContact CG-CG 3.73Å
243S98.3Very high97Very high11 Ų1126.7 Ų26.78%0.07712%0.123CC..  trans-131.4115.6166169.10000108.4M245 D246 H247S243-M245 VanDerWaalsContact C-N 3.32Å; S243-D246 VanDerWaalsContact OG-CG 3.28Å; S243-D246 PolarHBondContact OG-N 3.26Å; S243-D246 VanDerWaalsContact OG-N 3.15Å; S243-D246 PolarHBondContact OG-OD1 2.84Å; S243-H247 WeakPolarHBondContact O-CB 3.35Å; S243-H247 PolarHBondContact O-N 3.22Å; S243-H247 VanDerWaalsContact O-N 3.09Å
244I98.1Very high96.4Very high0 Ų028 Ų280%013%0.128CC..Hα-helixtrans-68.8-35.5178.3-61.4-56.9000110.5W128 V241 H247 Y248 M262 M266 F272 Y275 S276W128-I244 HydrophobicContact CH2-CD1 4.34Å; W128-I244 HydrophobicContact CZ2-CD1 4.1Å; V241-I244 HydrophobicContact CG1-CD1 3.87Å; I244-H247 PolarHBondContact O-N 3.2Å; I244-Y248 WeakPolarHBondContact O-CB 3.39Å; I244-Y248 PolarHBondContact O-N 3.38Å; I244-M262 HydrophobicContact CD1-SD 4.3Å; I244-M262 HydrophobicContact CG2-CE 4.14Å; I244-M262 HydrophobicContact CG2-CG 4.28Å; I244-M262 HydrophobicContact CG2-SD 3.85Å; I244-M266 HydrophobicContact CD1-CE 3.4Å; I244-M266 VanDerWaalsContact CD1-CE 3.4Å; I244-M266 HydrophobicContact CG1-CE 3.83Å; I244-M266 HydrophobicContact CG1-SD 4.4Å; I244-M266 HydrophobicContact CG2-CE 4.48Å; I244-M266 HydrophobicContact CG2-CG 4.24Å; I244-F272 HydrophobicContact CB-CB 4.18Å; I244-F272 HydrophobicContact CB-CD1 4.41Å; I244-F272 HydrophobicContact CB-CG 4.28Å; I244-F272 HydrophobicContact CG2-CB 3.98Å; I244-F272 HydrophobicContact CG2-CD1 3.36Å; I244-F272 HydrophobicContact CG2-CD2 4.11Å; I244-F272 HydrophobicContact CG2-CE1 3.72Å; I244-F272 HydrophobicContact CG2-CE2 4.43Å; I244-F272 HydrophobicContact CG2-CG 3.55Å; I244-F272 HydrophobicContact CG2-CZ 4.24Å; I244-Y275 WeakPolarHBondContact CG1-O 3.26Å; I244-S276 WeakPolarHBondContact CB-OG 3.48Å; I244-S276 PolarHBondContact N-OG 3.32Å
245M96.9Very high95.7Very high79 Ų7928.5 Ų28.539%0.38913%0.133SC..Hα-helixtrans-63.3-48.6176.5-17362.977.700111.3S243 H247 Y248 E249 F272S243-M245 VanDerWaalsContact C-N 3.32Å; M245-H247 VanDerWaalsContact C-N 3.29Å; M245-H247 PolarHBondContact O-N 3.5Å; M245-Y248 WeakPolarHBondContact O-CB 3.47Å; M245-Y248 PolarHBondContact O-N 3.29Å; M245-E249 PolarHBondContact O-N 3.38Å; M245-F272 HydrophobicContact CE-CB 4.25Å; M245-F272 HydrophobicContact CE-CD2 3.89Å; M245-F272 HydrophobicContact SD-CD2 3.92Å
246D97.6Very high95Very high54 Ų5429.6 Ų29.629%0.28914%0.139SC..Hα-helixtrans-61.9-40.3178.2-70.236.5000111.2S243 Y248 E249 H250 K313S243-D246 VanDerWaalsContact OG-CG 3.28Å; S243-D246 PolarHBondContact OG-N 3.26Å; S243-D246 VanDerWaalsContact OG-N 3.15Å; S243-D246 PolarHBondContact OG-OD1 2.84Å; D246-Y248 VanDerWaalsContact C-N 3.35Å; D246-E249 PolarHBondContact O-N 2.75Å; D246-H250 PolarHBondContact O-N 3.09Å; D246-K313 WeakPolarHBondContact OD2-CD 3.48Å; D246-K313 IonicContact OD2-NZ 3.73Å; D246-K313 PolarHBondContact OD2-NZ 3.42Å
247H97.9Very high94.5Very high10 Ų1030.7 Ų30.75%0.04614%0.143CC..Hα-helixtrans-66.7-38177.3-16368.7000111.9V241 S243 I244 M245 E249 H250 E251 M262 V305V241-H247 HydrophobicContact CG1-CB 3.61Å; S243-H247 WeakPolarHBondContact O-CB 3.35Å; S243-H247 PolarHBondContact O-N 3.22Å; S243-H247 VanDerWaalsContact O-N 3.09Å; I244-H247 PolarHBondContact O-N 3.2Å; M245-H247 VanDerWaalsContact C-N 3.29Å; M245-H247 PolarHBondContact O-N 3.5Å; H247-E249 VanDerWaalsContact C-N 3.34Å; H247-E249 PolarHBondContact O-N 2.88Å; H247-H250 CarbonylContact O-C 3.57Å; H247-H250 WeakPolarHBondContact O-CA 3.36Å; H247-H250 WeakPolarHBondContact O-CB 3.21Å; H247-H250 PolarHBondContact O-N 3.01Å; H247-H250 VanDerWaalsContact O-N 3.13Å; H247-E251 IonicContact NE2-OE1 3.92Å; H247-E251 WeakPolarHBondContact O-CG 3.28Å; H247-E251 PolarHBondContact O-N 3.15Å; H247-M262 HydrophobicContact CB-SD 4.27Å; H247-M262 VanDerWaalsContact CD2-SD 3.54Å; H247-V305 PolarHBondContact CE1-O 3.05Å; H247-V305 VanDerWaalsContact CE1-O 3.31Å
248Y96.9Very high93.6Very high16 Ų1636.3 Ų36.36%0.06317%0.165CC..Hα-helixtrans-63.6-41.1176.5-172.6-124000112.1I244 M245 D246 H250 E251 K252 E257 M262 E269 F272I244-Y248 WeakPolarHBondContact O-CB 3.39Å; I244-Y248 PolarHBondContact O-N 3.38Å; M245-Y248 WeakPolarHBondContact O-CB 3.47Å; M245-Y248 PolarHBondContact O-N 3.29Å; D246-Y248 VanDerWaalsContact C-N 3.35Å; Y248-H250 VanDerWaalsContact C-N 3.29Å; Y248-H250 PolarHBondContact O-N 3.08Å; Y248-E251 PolarHBondContact O-N 3.28Å; Y248-K252 HydrophobicContact CD1-CD 4.3Å; Y248-K252 HydrophobicContact CE1-CD 4.19Å; Y248-K252 VanDerWaalsContact CE1-NZ 3.26Å; Y248-K252 WeakPolarHBondContact O-CG 3.29Å; Y248-K252 PolarHBondContact O-N 3.34Å; Y248-E257 HydrophobicContact CD2-CB 4.27Å; Y248-E257 HydrophobicContact CE2-CB 3.73Å; Y248-E257 HydrophobicContact CE2-CG 4.45Å; Y248-M262 HydrophobicContact CD2-CE 3.69Å; Y248-M262 HydrophobicContact CG-CE 4.07Å; Y248-E269 HydrophobicContact CE1-CG 4.05Å; Y248-E269 VanDerWaalsContact CE1-OE1 3.3Å; Y248-E269 WeakPolarHBondContact CE1-OE1 3.48Å; Y248-E269 WeakPolarHBondContact CE1-OE2 3.43Å; Y248-E269 PolarHBondContact OH-OE1 3.44Å; Y248-F272 AromaticContact CD1-CE2 3.53Å; Y248-F272 HydrophobicContact CD1-CE2 3.53Å; Y248-F272 HydrophobicContact CD1-CZ 4.25Å; Y248-F272 HydrophobicContact CD2-CE2 4.12Å; Y248-F272 HydrophobicContact CD2-CZ 4.09Å; Y248-F272 HydrophobicContact CE1-CE2 4.05Å; Y248-F272 HydrophobicContact CE2-CZ 4.47Å; Y248-F272 AromaticContact CG-CE2 3.52Å; Y248-F272 HydrophobicContact CG-CE2 3.52Å; Y248-F272 AromaticContact CG-CZ 3.97Å; Y248-F272 HydrophobicContact CG-CZ 3.97Å
249E96.7Very high92.8Very high76 Ų7640.8 Ų40.836%0.35519%0.192SC..Hα-helixtrans-65.5-33.3173.7-67.9-54.4131.300112.2M245 D246 H247 K252 K253M245-E249 PolarHBondContact O-N 3.38Å; D246-E249 PolarHBondContact O-N 2.75Å; H247-E249 VanDerWaalsContact C-N 3.34Å; H247-E249 PolarHBondContact O-N 2.88Å; E249-K252 WeakPolarHBondContact OE1-CD 3.35Å; E249-K252 IonicContact OE1-NZ 3.43Å; E249-K252 PolarHBondContact OE1-NZ 3.28Å; E249-K253 VanDerWaalsContact O-CG 3.29Å; E249-K253 WeakPolarHBondContact O-CG 3.42Å; E249-K253 PolarHBondContact O-N 3.38Å
250H95.4Very high92.3Very high38 Ų3841.4 Ų41.418%0.17620%0.197CC..Hα-helixtrans-65.2-44.1170.2-175.868000112.4D246 H247 Y248 K252 K253 R254 I304 V305 P307D246-H250 PolarHBondContact O-N 3.09Å; H247-H250 CarbonylContact O-C 3.57Å; H247-H250 WeakPolarHBondContact O-CA 3.36Å; H247-H250 WeakPolarHBondContact O-CB 3.21Å; H247-H250 PolarHBondContact O-N 3.01Å; H247-H250 VanDerWaalsContact O-N 3.13Å; Y248-H250 VanDerWaalsContact C-N 3.29Å; Y248-H250 PolarHBondContact O-N 3.08Å; H250-K252 VanDerWaalsContact C-N 3.34Å; H250-K252 PolarHBondContact O-N 2.98Å; H250-K253 PolarHBondContact O-N 3.24Å; H250-R254 PolarHBondContact CD2-NH1 3.48Å; H250-R254 WeakPolarHBondContact NE2-CD 3.45Å; H250-R254 PolarHBondContact NE2-NH1 3.12Å; H250-R254 PolarHBondContact O-N 3.12Å; H250-I304 PolarHBondContact NE2-O 3.47Å; H250-V305 PolarHBondContact CD2-O 2.83Å; H250-V305 PolarHBondContact NE2-O 3Å; H250-P307 HydrophobicContact CB-CG 4.18Å
251E93.4Very high91.9Very high7 Ų741.7 Ų41.73%0.03320%0.199CC..Hα-helixtrans-61-42.1175.2-69.5-166.8145.900111.8H247 Y248 R254 G255 I256 E257 S260 M262H247-E251 IonicContact NE2-OE1 3.92Å; H247-E251 WeakPolarHBondContact O-CG 3.28Å; H247-E251 PolarHBondContact O-N 3.15Å; Y248-E251 PolarHBondContact O-N 3.28Å; E251-R254 CarbonylContact O-C 3.41Å; E251-R254 WeakPolarHBondContact O-CA 3.38Å; E251-R254 WeakPolarHBondContact O-CB 3.46Å; E251-R254 PolarHBondContact O-N 3.09Å; E251-R254 VanDerWaalsContact O-N 3.14Å; E251-G255 PolarHBondContact O-N 2.9Å; E251-I256 HydrophobicContact CB-CD1 4.24Å; E251-I256 HydrophobicContact CB-CG1 4Å; E251-I256 HydrophobicContact CG-CD1 3.89Å; E251-I256 HydrophobicContact CG-CG1 4.2Å; E251-I256 PolarHBondContact O-N 3.49Å; E251-E257 HydrophobicContact CB-CB 4.1Å; E251-S260 VanDerWaalsContact CD-CB 3.48Å; E251-S260 VanDerWaalsContact CD-OG 3.27Å; E251-S260 WeakPolarHBondContact OE1-CB 3.36Å; E251-S260 PolarHBondContact OE1-OG 3.02Å; E251-S260 VanDerWaalsContact OE2-CB 3.26Å; E251-S260 WeakPolarHBondContact OE2-CB 3.48Å; E251-S260 PolarHBondContact OE2-OG 2.9Å; E251-M262 WeakPolarHBondContact OE2-CE 3.49Å
252K91.4Very high91.8Very high64 Ų6441.7 Ų41.728%0.27820%0.199SC..Hα-helixtrans-60.9-43.1173.5-79.3177.2178.5163.90112.8R55 Y248 E249 H250 R254 G255 E257R55-K252 PolarHBondContact NH1-O 2.85Å; Y248-K252 HydrophobicContact CD1-CD 4.3Å; Y248-K252 HydrophobicContact CE1-CD 4.19Å; Y248-K252 VanDerWaalsContact CE1-NZ 3.26Å; Y248-K252 WeakPolarHBondContact O-CG 3.29Å; Y248-K252 PolarHBondContact O-N 3.34Å; E249-K252 WeakPolarHBondContact OE1-CD 3.35Å; E249-K252 IonicContact OE1-NZ 3.43Å; E249-K252 PolarHBondContact OE1-NZ 3.28Å; H250-K252 VanDerWaalsContact C-N 3.34Å; H250-K252 PolarHBondContact O-N 2.98Å; K252-R254 PolarHBondContact O-N 2.89Å; K252-G255 PolarHBondContact O-N 3.4Å; K252-E257 WeakPolarHBondContact CA-OE2 3.24Å; K252-E257 HydrophobicContact CG-CB 3.93Å; K252-E257 HydrophobicContact CG-CG 3.74Å
253K90Very high91.6Very high153 Ų15342.6 Ų42.667%0.66521%0.205SC*.Hα-helixtrans-61.4-33175.3-75.7173.1-174.9178.90111.7R55 E249 H250R55-K253 PolarHBondContact NH1-O 2.93Å; R55-K253 PolarHBondContact NH2-O 3.48Å; R55-K253 VanDerWaalsContact NH2-O 3.12Å; E249-K253 VanDerWaalsContact O-CG 3.29Å; E249-K253 WeakPolarHBondContact O-CG 3.42Å; E249-K253 PolarHBondContact O-N 3.38Å; H250-K253 PolarHBondContact O-N 3.24Å
254R86.1Confident91.4Very high76 Ų7647.5 Ų47.529%0.28722%0.222SC..Hα-helixtrans-84.3-12.3173.7-77.3166.437.7-163.8-10.4114.4R55 H250 E251 K252 I256 I304 V305R55-R254 WeakPolarHBondContact CB-O 3.2Å; R55-R254 WeakPolarHBondContact CD-O 3.36Å; H250-R254 PolarHBondContact CD2-NH1 3.48Å; H250-R254 WeakPolarHBondContact NE2-CD 3.45Å; H250-R254 PolarHBondContact NE2-NH1 3.12Å; H250-R254 PolarHBondContact O-N 3.12Å; E251-R254 CarbonylContact O-C 3.41Å; E251-R254 WeakPolarHBondContact O-CA 3.38Å; E251-R254 WeakPolarHBondContact O-CB 3.46Å; E251-R254 PolarHBondContact O-N 3.09Å; E251-R254 VanDerWaalsContact O-N 3.14Å; K252-R254 PolarHBondContact O-N 2.89Å; R254-I256 HydrophobicContact CB-CG1 4.11Å; R254-I256 HydrophobicContact CB-CG2 4.45Å; R254-I304 PolarHBondContact NH1-O 3.08Å; R254-I304 VanDerWaalsContact NH1-O 3.09Å; R254-V305 VanDerWaalsContact NH1-CA 3.32Å; R254-V305 PolarHBondContact NH1-O 2.84Å
255G83Confident91.3Very high10 Ų1047.5 Ų47.510%0.10322%0.222CC..THydrogen-bonded Turntrans69.431.2-178.800000114E251 K252 E257E251-G255 PolarHBondContact O-N 2.9Å; K252-G255 PolarHBondContact O-N 3.4Å; G255-E257 WeakPolarHBondContact CA-OE2 3.47Å
256I84.3Confident91.3Very high26 Ų2643.7 Ų43.713%0.13320%0.203CC..  trans-1162.4-17965.7128000113.5A59 E251 R254 Y258 V259 S260A59-I256 HydrophobicContact CB-CG2 4.03Å; E251-I256 HydrophobicContact CB-CD1 4.24Å; E251-I256 HydrophobicContact CB-CG1 4Å; E251-I256 HydrophobicContact CG-CD1 3.89Å; E251-I256 HydrophobicContact CG-CG1 4.2Å; E251-I256 PolarHBondContact O-N 3.49Å; R254-I256 HydrophobicContact CB-CG1 4.11Å; R254-I256 HydrophobicContact CB-CG2 4.45Å; I256-Y258 VanDerWaalsContact C-N 3.25Å; I256-Y258 PolarHBondContact O-N 3.37Å; I256-V259 PolarHBondContact O-N 2.95Å; I256-S260 WeakPolarHBondContact O-CB 3.48Å; I256-S260 PolarHBondContact O-N 3.36Å
257E88.6Confident91.3Very high22 Ų2244.8 Ų44.810%0.10321%0.209CC..THydrogen-bonded Turntrans-58.8-31.2-173.770.3-79.5-169.800113.9Y248 E251 K252 G255Y248-E257 HydrophobicContact CD2-CB 4.27Å; Y248-E257 HydrophobicContact CE2-CB 3.73Å; Y248-E257 HydrophobicContact CE2-CG 4.45Å; E251-E257 HydrophobicContact CB-CB 4.1Å; K252-E257 WeakPolarHBondContact CA-OE2 3.24Å; K252-E257 HydrophobicContact CG-CB 3.93Å; K252-E257 HydrophobicContact CG-CG 3.74Å; G255-E257 WeakPolarHBondContact CA-OE2 3.47Å
258Y78.4Confident91.1Very high120 Ų12045.5 Ų45.547%0.47122%0.219SC..THydrogen-bonded Turntrans-82.3-28.3177.5-69.2-88.9000113.2E46 R52 I256E46-Y258 PolarHBondContact OE1-OH 2.93Å; E46-Y258 WeakPolarHBondContact OE2-CE1 3.27Å; E46-Y258 PolarHBondContact OE2-OH 3.5Å; R52-Y258 VanDerWaalsContact NH1-CE2 3.34Å; R52-Y258 PolarHBondContact NH2-OH 3.27Å; I256-Y258 VanDerWaalsContact C-N 3.25Å; I256-Y258 PolarHBondContact O-N 3.37Å
259V81.3Confident91Very high94 Ų9448.8 Ų48.857%0.5723%0.234SC*.THydrogen-bonded Turntrans-82-39.7178.7-1800000109.7L56 I256 C261 R264L56-V259 HydrophobicContact CD1-CG2 3.92Å; I256-V259 PolarHBondContact O-N 2.95Å; V259-C261 PolarHBondContact O-N 2.85Å; V259-R264 PolarHBondContact O-NH2 3.24Å
260S88.1Confident91Very high13 Ų1353.7 Ų53.79%0.09126%0.255CS..SBendtrans-51.9138.7170.5-174.20000110.5E251 I256 M262 R264E251-S260 VanDerWaalsContact CD-CB 3.48Å; E251-S260 VanDerWaalsContact CD-OG 3.27Å; E251-S260 WeakPolarHBondContact OE1-CB 3.36Å; E251-S260 PolarHBondContact OE1-OG 3.02Å; E251-S260 VanDerWaalsContact OE2-CB 3.26Å; E251-S260 WeakPolarHBondContact OE2-CB 3.48Å; E251-S260 PolarHBondContact OE2-OG 2.9Å; I256-S260 WeakPolarHBondContact O-CB 3.48Å; I256-S260 PolarHBondContact O-N 3.36Å; S260-M262 VanDerWaalsContact C-N 3.28Å; S260-M262 WeakPolarHBondContact OG-CB 3Å; S260-M262 PolarHBondContact OG-N 2.8Å; S260-M262 VanDerWaalsContact OG-N 3.15Å; S260-R264 PolarHBondContact O-NH2 2.63Å
261C91.3Very high91Very high6 Ų653.4 Ų53.44%0.04126%0.255CS..SBendtrans-86.4-4171.675.30000111.8A127 S129 Y159 V259 S263 R264 A265A127-C261 PolarHBondContact O-SG 3.19Å; S129-C261 WeakPolarHBondContact CB-SG 3.4Å; S129-C261 PolarHBondContact OG-SG 3.15Å; Y159-C261 HydrophobicContact CD1-CB 3.59Å; Y159-C261 HydrophobicContact CE1-CB 4.14Å; Y159-C261 HydrophobicContact CG-CB 4.16Å; V259-C261 PolarHBondContact O-N 2.85Å; C261-S263 PolarHBondContact O-N 3.3Å; C261-R264 CarbonylContact O-C 3.6Å; C261-R264 WeakPolarHBondContact O-CA 3.48Å; C261-R264 PolarHBondContact O-N 2.94Å; C261-A265 WeakPolarHBondContact O-CB 3.43Å; C261-A265 PolarHBondContact O-N 2.84Å
262M94.8Very high91.3Very high0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-51.8-54.6-170.5-177.7-174.765.600111.8W128 I244 H247 Y248 E251 S260 R264 A265 M266 F272W128-M262 HydrophobicContact CE3-CB 3.97Å; W128-M262 HydrophobicContact CE3-CG 3.97Å; W128-M262 HydrophobicContact CH2-CG 3.95Å; W128-M262 HydrophobicContact CH2-SD 3.85Å; W128-M262 HydrophobicContact CZ3-CB 3.74Å; W128-M262 HydrophobicContact CZ3-CG 3.52Å; W128-M262 HydrophobicContact CZ3-SD 3.83Å; I244-M262 HydrophobicContact CD1-SD 4.3Å; I244-M262 HydrophobicContact CG2-CE 4.14Å; I244-M262 HydrophobicContact CG2-CG 4.28Å; I244-M262 HydrophobicContact CG2-SD 3.85Å; H247-M262 HydrophobicContact CB-SD 4.27Å; H247-M262 VanDerWaalsContact CD2-SD 3.54Å; Y248-M262 HydrophobicContact CD2-CE 3.69Å; Y248-M262 HydrophobicContact CG-CE 4.07Å; E251-M262 WeakPolarHBondContact OE2-CE 3.49Å; S260-M262 VanDerWaalsContact C-N 3.28Å; S260-M262 WeakPolarHBondContact OG-CB 3Å; S260-M262 PolarHBondContact OG-N 2.8Å; S260-M262 VanDerWaalsContact OG-N 3.15Å; M262-R264 VanDerWaalsContact C-N 3.27Å; M262-R264 PolarHBondContact O-N 3.17Å; M262-A265 PolarHBondContact O-N 3.2Å; M262-M266 HydrophobicContact CG-CE 4.5Å; M262-M266 HydrophobicContact CG-CG 4.44Å; M262-M266 WeakPolarHBondContact O-CG 3.38Å; M262-M266 PolarHBondContact O-N 3.47Å; M262-F272 HydrophobicContact CE-CZ 4.46Å
263S94.9Very high91.5Very high19 Ų1952.4 Ų52.413%0.13326%0.255CS..Hα-helixtrans-57.2-41.5179.9-1770000112.5C261 M266 N267 G268C261-S263 PolarHBondContact O-N 3.3Å; S263-M266 PolarHBondContact O-N 3.39Å; S263-N267 PolarHBondContact O-N 2.8Å; S263-G268 WeakPolarHBondContact O-CA 3.4Å; S263-G268 PolarHBondContact O-N 3.09Å
264R95.4Very high91.8Very high114 Ų11449 Ų4943%0.4324%0.238SC..Hα-helixtrans-71.5-39.8179.7-65.3176.2-76.6151.1-6112.6Y159 V259 S260 C261 M262 M266 N267Y159-R264 HydrophobicContact CD2-CB 4.45Å; Y159-R264 HydrophobicContact CE1-CB 4.18Å; Y159-R264 HydrophobicContact CE2-CB 3.72Å; V259-R264 PolarHBondContact O-NH2 3.24Å; S260-R264 PolarHBondContact O-NH2 2.63Å; C261-R264 CarbonylContact O-C 3.6Å; C261-R264 WeakPolarHBondContact O-CA 3.48Å; C261-R264 PolarHBondContact O-N 2.94Å; M262-R264 VanDerWaalsContact C-N 3.27Å; M262-R264 PolarHBondContact O-N 3.17Å; R264-M266 PolarHBondContact O-N 3.02Å; R264-N267 PolarHBondContact O-N 2.8Å
265A96.1Very high92.4Very high0 Ų045.7 Ų45.70%023%0.226CC..Hα-helixtrans-65.7-28.5176.900000111.6W128 Y159 N163 V164 M167 C261 M262 N267W128-A265 HydrophobicContact CB-CB 4.14Å; Y159-A265 HydrophobicContact CD2-CB 4.16Å; Y159-A265 HydrophobicContact CG-CB 4.21Å; N163-A265 CarbonylContact C-O 3.55Å; N163-A265 WeakPolarHBondContact CA-O 3.31Å; N163-A265 VanDerWaalsContact CB-O 3.32Å; N163-A265 WeakPolarHBondContact CB-O 3.31Å; V164-A265 HydrophobicContact CG2-CB 3.88Å; V164-A265 WeakPolarHBondContact CG2-O 3.43Å; V164-A265 PolarHBondContact N-O 2.94Å; M167-A265 HydrophobicContact CE-CB 4.49Å; C261-A265 WeakPolarHBondContact O-CB 3.43Å; C261-A265 PolarHBondContact O-N 2.84Å; M262-A265 PolarHBondContact O-N 3.2Å; A265-N267 VanDerWaalsContact C-N 3.27Å; A265-N267 PolarHBondContact O-N 3.2Å
266M96.6Very high93.1Very high0 Ų045.3 Ų45.30%022%0.222CC..THydrogen-bonded Turntrans-84.24.8173.6-59.6-69.8174.400113.1W128 V164 I244 M262 S263 R264 G268 N271 F272 Y275W128-M266 HydrophobicContact CZ2-CE 4.17Å; V164-M266 HydrophobicContact CB-CE 4.21Å; V164-M266 HydrophobicContact CB-SD 3.7Å; V164-M266 HydrophobicContact CG1-CE 3.94Å; V164-M266 HydrophobicContact CG1-SD 3.69Å; V164-M266 HydrophobicContact CG2-CE 3.58Å; V164-M266 HydrophobicContact CG2-CG 4.29Å; V164-M266 HydrophobicContact CG2-SD 3.53Å; V164-M266 VanDerWaalsContact CG2-SD 3.53Å; I244-M266 HydrophobicContact CD1-CE 3.4Å; I244-M266 VanDerWaalsContact CD1-CE 3.4Å; I244-M266 HydrophobicContact CG1-CE 3.83Å; I244-M266 HydrophobicContact CG1-SD 4.4Å; I244-M266 HydrophobicContact CG2-CE 4.48Å; I244-M266 HydrophobicContact CG2-CG 4.24Å; M262-M266 HydrophobicContact CG-CE 4.5Å; M262-M266 HydrophobicContact CG-CG 4.44Å; M262-M266 WeakPolarHBondContact O-CG 3.38Å; M262-M266 PolarHBondContact O-N 3.47Å; S263-M266 PolarHBondContact O-N 3.39Å; R264-M266 PolarHBondContact O-N 3.02Å; M266-G268 VanDerWaalsContact C-N 3.26Å; M266-G268 PolarHBondContact O-N 3.24Å; M266-N271 VanDerWaalsContact O-CB 3.24Å; M266-N271 WeakPolarHBondContact O-CB 3.32Å; M266-N271 PolarHBondContact O-ND2 2.78Å; M266-N271 VanDerWaalsContact O-ND2 3.15Å; M266-F272 HydrophobicContact CB-CD1 4.17Å; M266-F272 HydrophobicContact CB-CE1 4.1Å; M266-F272 HydrophobicContact CG-CD1 4.42Å; M266-F272 HydrophobicContact CG-CE1 4.34Å; M266-Y275 HydrophobicContact CB-CD2 3.99Å; M266-Y275 HydrophobicContact CB-CE2 4.48Å; M266-Y275 HydrophobicContact CG-CD2 4.36Å; M266-Y275 WeakPolarHBondContact O-CE2 3.39Å; M266-Y275 WeakPolarHBondContact SD-CB 3.4Å; M266-Y275 HydrophobicContact SD-CD2 3.53Å; M266-Y275 VanDerWaalsContact SD-CD2 3.53Å; M266-Y275 HydrophobicContact SD-CE2 4.5Å; M266-Y275 HydrophobicContact SD-CG 3.54Å; M266-Y275 VanDerWaalsContact SD-CG 3.54Å
267N96.1Very high93.8Very high77 Ų7744.1 Ų44.141%0.41222%0.215SC..THydrogen-bonded Turntrans57.634.2-172.5-57-40.2000113.8N163 S263 R264 A265 N271N163-N267 WeakPolarHBondContact CB-OD1 3.26Å; N163-N267 PolarHBondContact ND2-ND2 2.78Å; S263-N267 PolarHBondContact O-N 2.8Å; R264-N267 PolarHBondContact O-N 2.8Å; A265-N267 VanDerWaalsContact C-N 3.27Å; A265-N267 PolarHBondContact O-N 3.2Å; N267-N271 PolarHBondContact O-ND2 3.09Å
268G94.1Very high94.2Very high24 Ų2444.5 Ų44.525%0.24722%0.218CC..SBendtrans99.8161.8174.600000115S263 M266 K270 N271S263-G268 WeakPolarHBondContact O-CA 3.4Å; S263-G268 PolarHBondContact O-N 3.09Å; M266-G268 VanDerWaalsContact C-N 3.26Å; M266-G268 PolarHBondContact O-N 3.24Å; G268-K270 PolarHBondContact O-N 3.13Å; G268-K270 VanDerWaalsContact O-N 3.15Å; G268-N271 PolarHBondContact O-N 3.05Å
269E94.8Very high95.1Very high85 Ų8542 Ų4240%0.39721%0.21SC..G310 helixtrans-58.4-30.6-172.5-57.2-173.7-155.400113.9Y248 N271 F272Y248-E269 HydrophobicContact CE1-CG 4.05Å; Y248-E269 VanDerWaalsContact CE1-OE1 3.3Å; Y248-E269 WeakPolarHBondContact CE1-OE1 3.48Å; Y248-E269 WeakPolarHBondContact CE1-OE2 3.43Å; Y248-E269 PolarHBondContact OH-OE1 3.44Å; E269-N271 PolarHBondContact O-N 3.38Å; E269-F272 HydrophobicContact CB-CD2 4.19Å; E269-F272 HydrophobicContact CB-CE1 4.43Å; E269-F272 HydrophobicContact CB-CE2 3.86Å; E269-F272 HydrophobicContact CB-CZ 4.02Å; E269-F272 HydrophobicContact CG-CE1 4.41Å; E269-F272 HydrophobicContact CG-CE2 3.73Å; E269-F272 HydrophobicContact CG-CZ 3.68Å; E269-F272 WeakPolarHBondContact O-CB 3.46Å; E269-F272 VanDerWaalsContact O-CG 3.27Å; E269-F272 WeakPolarHBondContact O-CG 3.49Å; E269-F272 PolarHBondContact O-N 3.42Å
270K96.6Very high95.8Very high179 Ų17937.7 Ų37.778%0.77818%0.184SC*.G310 helixtrans-56.5-24.1176.568.2178.6-177.2177.40113.6G268G268-K270 PolarHBondContact O-N 3.13Å; G268-K270 VanDerWaalsContact O-N 3.15Å
271N97Very high96.2Very high33 Ų3337.1 Ų37.118%0.17618%0.18CC..G310 helixtrans-97.22.6-179.6-61.4-57.4000113.4M266 N267 G268 E269 R274 Y275M266-N271 VanDerWaalsContact O-CB 3.24Å; M266-N271 WeakPolarHBondContact O-CB 3.32Å; M266-N271 PolarHBondContact O-ND2 2.78Å; M266-N271 VanDerWaalsContact O-ND2 3.15Å; N267-N271 PolarHBondContact O-ND2 3.09Å; G268-N271 PolarHBondContact O-N 3.05Å; E269-N271 PolarHBondContact O-N 3.38Å; N271-R274 WeakPolarHBondContact O-CB 3.47Å; N271-R274 PolarHBondContact O-N 3.4Å; N271-R274 VanDerWaalsContact O-N 3.12Å; N271-Y275 HydrophobicContact CB-CD2 3.78Å; N271-Y275 HydrophobicContact CB-CE2 3.6Å; N271-Y275 VanDerWaalsContact O-CD2 3.31Å; N271-Y275 WeakPolarHBondContact O-CD2 3.46Å; N271-Y275 PolarHBondContact O-N 3.22Å; N271-Y275 VanDerWaalsContact O-N 3.14Å
272F97.8Very high96.4Very high0 Ų042.4 Ų42.40%020%0.204CC..THydrogen-bonded Turntrans-56.8-43.8-179.8-70-4.7000113.7I244 M245 Y248 M262 M266 E269 R274 Y275 S276I244-F272 HydrophobicContact CB-CB 4.18Å; I244-F272 HydrophobicContact CB-CD1 4.41Å; I244-F272 HydrophobicContact CB-CG 4.28Å; I244-F272 HydrophobicContact CG2-CB 3.98Å; I244-F272 HydrophobicContact CG2-CD1 3.36Å; I244-F272 HydrophobicContact CG2-CD2 4.11Å; I244-F272 HydrophobicContact CG2-CE1 3.72Å; I244-F272 HydrophobicContact CG2-CE2 4.43Å; I244-F272 HydrophobicContact CG2-CG 3.55Å; I244-F272 HydrophobicContact CG2-CZ 4.24Å; M245-F272 HydrophobicContact CE-CB 4.25Å; M245-F272 HydrophobicContact CE-CD2 3.89Å; M245-F272 HydrophobicContact SD-CD2 3.92Å; Y248-F272 AromaticContact CD1-CE2 3.53Å; Y248-F272 HydrophobicContact CD1-CE2 3.53Å; Y248-F272 HydrophobicContact CD1-CZ 4.25Å; Y248-F272 HydrophobicContact CD2-CE2 4.12Å; Y248-F272 HydrophobicContact CD2-CZ 4.09Å; Y248-F272 HydrophobicContact CE1-CE2 4.05Å; Y248-F272 HydrophobicContact CE2-CZ 4.47Å; Y248-F272 AromaticContact CG-CE2 3.52Å; Y248-F272 HydrophobicContact CG-CE2 3.52Å; Y248-F272 AromaticContact CG-CZ 3.97Å; Y248-F272 HydrophobicContact CG-CZ 3.97Å; M262-F272 HydrophobicContact CE-CZ 4.46Å; M266-F272 HydrophobicContact CB-CD1 4.17Å; M266-F272 HydrophobicContact CB-CE1 4.1Å; M266-F272 HydrophobicContact CG-CD1 4.42Å; M266-F272 HydrophobicContact CG-CE1 4.34Å; E269-F272 HydrophobicContact CB-CD2 4.19Å; E269-F272 HydrophobicContact CB-CE1 4.43Å; E269-F272 HydrophobicContact CB-CE2 3.86Å; E269-F272 HydrophobicContact CB-CZ 4.02Å; E269-F272 HydrophobicContact CG-CE1 4.41Å; E269-F272 HydrophobicContact CG-CE2 3.73Å; E269-F272 HydrophobicContact CG-CZ 3.68Å; E269-F272 WeakPolarHBondContact O-CB 3.46Å; E269-F272 VanDerWaalsContact O-CG 3.27Å; E269-F272 WeakPolarHBondContact O-CG 3.49Å; E269-F272 PolarHBondContact O-N 3.42Å; F272-R274 VanDerWaalsContact C-N 3.3Å; F272-R274 PolarHBondContact O-N 3.06Å; F272-Y275 CarbonylContact O-C 3.39Å; F272-Y275 PolarHBondContact O-N 3.17Å; F272-S276 WeakPolarHBondContact O-CB 3.28Å; F272-S276 PolarHBondContact O-N 3.24Å; F272-S276 PolarHBondContact O-OG 3.14Å
273P97.1Very high96.4Very high50 Ų5048.4 Ų48.433%0.32523%0.232SC..THydrogen-bonded Turntrans-59.8-42.9175.7-23.334.9000111.8Y275 S276 H279P273-Y275 VanDerWaalsContact C-N 3.26Å; P273-Y275 PolarHBondContact O-N 3.15Å; P273-S276 PolarHBondContact O-N 2.65Å; P273-S276 VanDerWaalsContact O-N 3.13Å; P273-H279 HydrophobicContact CB-CB 4.46Å; P273-H279 VanDerWaalsContact O-CB 3.28Å; P273-H279 WeakPolarHBondContact O-CB 3.47Å; P273-H279 PolarHBondContact O-CD2 3.47Å
274R96.1Very high96.3Very high81 Ų8148.5 Ų48.531%0.30623%0.23SC..THydrogen-bonded Turntrans-60.9-32.1-179.2-179.5177175.991.7-14.6113.7E217 N271 F272E217-R274 VanDerWaalsContact CD-NH2 3.3Å; E217-R274 VanDerWaalsContact CG-NH2 3.25Å; E217-R274 IonicContact OE1-CZ 2.77Å; E217-R274 IonicContact OE1-NH1 3.65Å; E217-R274 PolarHBondContact OE1-NH1 2.91Å; E217-R274 IonicContact OE1-NH2 3.65Å; E217-R274 PolarHBondContact OE1-NH2 2.82Å; N271-R274 WeakPolarHBondContact O-CB 3.47Å; N271-R274 PolarHBondContact O-N 3.4Å; N271-R274 VanDerWaalsContact O-N 3.12Å; F272-R274 VanDerWaalsContact C-N 3.3Å; F272-R274 PolarHBondContact O-N 3.06Å
275Y97.6Very high96.1Very high6 Ų646 Ų462%0.02423%0.23CC..THydrogen-bonded Turntrans-105.421.3179.1-58.5-61.7000113.4V164 L165 I168 H202 M206 F210 I244 M266 N271 F272 P273V164-Y275 HydrophobicContact CG1-CD1 3.92Å; V164-Y275 HydrophobicContact CG1-CE1 4.4Å; V164-Y275 HydrophobicContact CG1-CG 4.18Å; L165-Y275 HydrophobicContact CB-CE1 4.18Å; I168-Y275 HydrophobicContact CD1-CD1 4.2Å; I168-Y275 HydrophobicContact CD1-CE1 4.47Å; H202-Y275 PolarHBondContact NE2-O 3.15Å; M206-Y275 HydrophobicContact CE-CD1 4.08Å; F210-Y275 HydrophobicContact CZ-CD1 4.46Å; I244-Y275 WeakPolarHBondContact CG1-O 3.26Å; M266-Y275 HydrophobicContact CB-CD2 3.99Å; M266-Y275 HydrophobicContact CB-CE2 4.48Å; M266-Y275 HydrophobicContact CG-CD2 4.36Å; M266-Y275 WeakPolarHBondContact O-CE2 3.39Å; M266-Y275 WeakPolarHBondContact SD-CB 3.4Å; M266-Y275 HydrophobicContact SD-CD2 3.53Å; M266-Y275 VanDerWaalsContact SD-CD2 3.53Å; M266-Y275 HydrophobicContact SD-CE2 4.5Å; M266-Y275 HydrophobicContact SD-CG 3.54Å; M266-Y275 VanDerWaalsContact SD-CG 3.54Å; N271-Y275 HydrophobicContact CB-CD2 3.78Å; N271-Y275 HydrophobicContact CB-CE2 3.6Å; N271-Y275 VanDerWaalsContact O-CD2 3.31Å; N271-Y275 WeakPolarHBondContact O-CD2 3.46Å; N271-Y275 PolarHBondContact O-N 3.22Å; N271-Y275 VanDerWaalsContact O-N 3.14Å; F272-Y275 CarbonylContact O-C 3.39Å; F272-Y275 PolarHBondContact O-N 3.17Å; P273-Y275 VanDerWaalsContact C-N 3.26Å; P273-Y275 PolarHBondContact O-N 3.15Å
276S98.4Very high95.7Very high3 Ų348.6 Ų48.62%0.02126%0.258CS..  trans-107.7115.2176.6-67.90000110.9I244 F272 P273 M278 H279 I280I244-S276 WeakPolarHBondContact CB-OG 3.48Å; I244-S276 PolarHBondContact N-OG 3.32Å; F272-S276 WeakPolarHBondContact O-CB 3.28Å; F272-S276 PolarHBondContact O-N 3.24Å; F272-S276 PolarHBondContact O-OG 3.14Å; P273-S276 PolarHBondContact O-N 2.65Å; P273-S276 VanDerWaalsContact O-N 3.13Å; S276-M278 PolarHBondContact O-N 3.21Å; S276-H279 PolarHBondContact O-N 2.85Å; S276-I280 PolarHBondContact O-N 3.13Å; S276-I280 VanDerWaalsContact O-N 3.13Å
277P98.1Very high95.4Very high0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-48.8-42.1173.9-31.936.1000113.9A205 M206 L209 Y242 H279 I280 V281 F314A205-P277 HydrophobicContact CB-CB 4.3Å; A205-P277 HydrophobicContact CB-CG 3.92Å; M206-P277 HydrophobicContact CG-CG 4.13Å; M206-P277 VanDerWaalsContact SD-CD 3.57Å; M206-P277 HydrophobicContact SD-CG 3.83Å; L209-P277 HydrophobicContact CD1-CB 3.8Å; Y242-P277 HydrophobicContact CD1-CB 4.15Å; Y242-P277 HydrophobicContact CD1-CG 4.26Å; Y242-P277 VanDerWaalsContact O-CD 3.26Å; Y242-P277 WeakPolarHBondContact O-CD 3.3Å; P277-H279 VanDerWaalsContact C-N 3.35Å; P277-H279 PolarHBondContact O-N 3.25Å; P277-I280 PolarHBondContact O-N 2.86Å; P277-V281 WeakPolarHBondContact O-CG2 3.44Å; P277-V281 PolarHBondContact O-N 3.22Å; P277-F314 HydrophobicContact CB-CE2 4.04Å; P277-F314 HydrophobicContact CB-CZ 4.43Å
278M97.6Very high95.2Very high30 Ų3053.6 Ų53.615%0.14828%0.282CS..Hα-helixtrans-57.4-45.4176-77.6179.868.200112.6Y242 S276 Q282 K313 F314 L317Y242-M278 WeakPolarHBondContact O-CB 3.39Å; Y242-M278 WeakPolarHBondContact O-CG 3.5Å; Y242-M278 PolarHBondContact O-N 3.06Å; S276-M278 PolarHBondContact O-N 3.21Å; M278-Q282 WeakPolarHBondContact O-CB 3.17Å; M278-Q282 PolarHBondContact O-N 3.14Å; M278-Q282 VanDerWaalsContact O-N 3.11Å; M278-K313 HydrophobicContact CE-CB 3.77Å; M278-K313 HydrophobicContact SD-CB 4.03Å; M278-F314 HydrophobicContact CB-CD2 4.46Å; M278-F314 HydrophobicContact CG-CB 3.97Å; M278-F314 HydrophobicContact CG-CD2 3.6Å; M278-F314 HydrophobicContact CG-CG 4.25Å; M278-F314 HydrophobicContact SD-CB 4.39Å; M278-L317 HydrophobicContact CB-CD2 3.88Å; M278-L317 HydrophobicContact CE-CD2 4.1Å; M278-L317 HydrophobicContact CG-CD2 4.13Å; M278-L317 VanDerWaalsContact O-CD2 3.3Å; M278-L317 WeakPolarHBondContact O-CD2 3.29Å
279H97.3Very high95.1Very high68 Ų6853.4 Ų53.432%0.31528%0.275SS..Hα-helixtrans-68.7-38.5-178.3-176.177.7000111.4P273 S276 P277 Q282 H283P273-H279 HydrophobicContact CB-CB 4.46Å; P273-H279 VanDerWaalsContact O-CB 3.28Å; P273-H279 WeakPolarHBondContact O-CB 3.47Å; P273-H279 PolarHBondContact O-CD2 3.47Å; S276-H279 PolarHBondContact O-N 2.85Å; P277-H279 VanDerWaalsContact C-N 3.35Å; P277-H279 PolarHBondContact O-N 3.25Å; H279-Q282 PolarHBondContact O-N 2.89Å; H279-H283 AromaticContact CE1-CE1 3.2Å; H279-H283 PolarHBondContact CE1-CE1 3.35Å; H279-H283 AromaticContact CE1-ND1 3.72Å; H279-H283 AromaticContact CE1-NE2 3.92Å; H279-H283 AromaticContact ND1-CE1 3.51Å; H279-H283 AromaticContact ND1-ND1 3.86Å; H279-H283 AromaticContact NE2-CE1 3.78Å; H279-H283 AromaticContact NE2-ND1 3.92Å; H279-H283 PolarHBondContact O-N 3.38Å; H279-H283 PolarHBondContact O-ND1 2.88Å
280I96.4Very high94.8Very high3 Ų354 Ų542%0.01529%0.288CS..Hα-helixtrans-63-52.3176.9-61.1161.2000110M206 L209 F210 S276 P277 Q282 H283 L284M206-I280 HydrophobicContact CE-CD1 3.59Å; M206-I280 HydrophobicContact SD-CD1 3.55Å; M206-I280 VanDerWaalsContact SD-CD1 3.55Å; L209-I280 HydrophobicContact CB-CD1 4.4Å; L209-I280 HydrophobicContact CB-CG2 4.05Å; L209-I280 HydrophobicContact CD1-CB 4.4Å; L209-I280 HydrophobicContact CD1-CD1 4.47Å; L209-I280 HydrophobicContact CD1-CG2 4.5Å; F210-I280 HydrophobicContact CD1-CD1 3.91Å; F210-I280 HydrophobicContact CE1-CD1 3.53Å; F210-I280 HydrophobicContact CE1-CG1 4.44Å; S276-I280 PolarHBondContact O-N 3.13Å; S276-I280 VanDerWaalsContact O-N 3.13Å; P277-I280 PolarHBondContact O-N 2.86Å; I280-Q282 PolarHBondContact O-N 3.2Å; I280-H283 CarbonylContact O-C 3.59Å; I280-H283 PolarHBondContact O-N 3.5Å; I280-L284 HydrophobicContact CG2-CD2 4.3Å; I280-L284 HydrophobicContact CG2-CG 4.3Å; I280-L284 WeakPolarHBondContact O-CG 3.45Å; I280-L284 PolarHBondContact O-N 2.88Å; I280-L284 VanDerWaalsContact O-N 3.07Å
281V96.1Very high94.6Very high1 Ų152.7 Ų52.71%0.00628%0.282CS..Hα-helixtrans-56.4-38.8-179.5165.20000111.9L209 P277 H283 L284 L289 F314 F318 L321L209-V281 HydrophobicContact CD1-CG2 3.95Å; L209-V281 HydrophobicContact CD2-CG2 3.73Å; P277-V281 WeakPolarHBondContact O-CG2 3.44Å; P277-V281 PolarHBondContact O-N 3.22Å; V281-H283 PolarHBondContact O-N 3.4Å; V281-L284 HydrophobicContact CG2-CD1 4.49Å; V281-L284 PolarHBondContact O-N 3.3Å; V281-L289 HydrophobicContact CG1-CD1 4.15Å; V281-F314 HydrophobicContact CB-CE2 4.43Å; V281-F314 HydrophobicContact CG2-CE2 3.88Å; V281-F314 HydrophobicContact CG2-CZ 4.28Å; V281-F318 HydrophobicContact CG1-CB 4.24Å; V281-F318 HydrophobicContact CG1-CD2 3.52Å; V281-F318 HydrophobicContact CG1-CE2 4.18Å; V281-F318 HydrophobicContact CG1-CG 4.06Å; V281-F318 HydrophobicContact CG2-CD2 4.45Å; V281-L321 HydrophobicContact CG1-CD1 3.75Å
282Q95.7Very high94.4Very high118 Ų11851.8 Ų51.855%0.55128%0.28SS*.Hα-helixtrans-63.5-25.3177.1-171.9175.86.100113.9M278 H279 I280 L317M278-Q282 WeakPolarHBondContact O-CB 3.17Å; M278-Q282 PolarHBondContact O-N 3.14Å; M278-Q282 VanDerWaalsContact O-N 3.11Å; H279-Q282 PolarHBondContact O-N 2.89Å; I280-Q282 PolarHBondContact O-N 3.2Å; Q282-L317 HydrophobicContact CB-CD2 4.45Å
283H94.9Very high94.2Very high126 Ų12652.4 Ų52.458%0.58328%0.284SS*.Hα-helixtrans-108.73-176.9-63.879.1000113.2H279 I280 V281H279-H283 AromaticContact CE1-CE1 3.2Å; H279-H283 PolarHBondContact CE1-CE1 3.35Å; H279-H283 AromaticContact CE1-ND1 3.72Å; H279-H283 AromaticContact CE1-NE2 3.92Å; H279-H283 AromaticContact ND1-CE1 3.51Å; H279-H283 AromaticContact ND1-ND1 3.86Å; H279-H283 AromaticContact NE2-CE1 3.78Å; H279-H283 AromaticContact NE2-ND1 3.92Å; H279-H283 PolarHBondContact O-N 3.38Å; H279-H283 PolarHBondContact O-ND1 2.88Å; I280-H283 CarbonylContact O-C 3.59Å; I280-H283 PolarHBondContact O-N 3.5Å; V281-H283 PolarHBondContact O-N 3.4Å
284L93.3Very high94.1Very high20 Ų2051.9 Ų51.911%0.10528%0.275CS..SBendtrans-69.8141.2172.7-73.8177.8000110.3L209 L212 D213 I280 V281 K288 L289L209-L284 HydrophobicContact CD2-CD1 4.1Å; L212-L284 HydrophobicContact CD2-CD1 3.81Å; D213-L284 HydrophobicContact CB-CD2 3.84Å; I280-L284 HydrophobicContact CG2-CD2 4.3Å; I280-L284 HydrophobicContact CG2-CG 4.3Å; I280-L284 WeakPolarHBondContact O-CG 3.45Å; I280-L284 PolarHBondContact O-N 2.88Å; I280-L284 VanDerWaalsContact O-N 3.07Å; V281-L284 HydrophobicContact CG2-CD1 4.49Å; V281-L284 PolarHBondContact O-N 3.3Å; L284-K288 HydrophobicContact CD2-CB 4.27Å; L284-K288 HydrophobicContact CD2-CD 4.12Å; L284-L289 HydrophobicContact CB-CD1 4.36Å; L284-L289 HydrophobicContact CD1-CD1 4.07Å
285S90.4Very high94.2Very high61 Ų6148 Ų4843%0.42726%0.261SS..  trans-67.7153.2168.760.70000110.9D287 K288 L289S285-D287 PolarHBondContact O-N 3.49Å; S285-K288 PolarHBondContact O-N 3.15Å; S285-K288 WeakPolarHBondContact OG-CG 3.35Å; S285-L289 PolarHBondContact O-N 3.39Å
286G88.4Confident94.3Very high56 Ų5647.8 Ų47.858%0.57726%0.26SS*.Hα-helixtrans-54.1-39.7179.500000113.4K288 L289 S290G286-K288 VanDerWaalsContact C-N 3.34Å; G286-K288 PolarHBondContact O-N 3.17Å; G286-L289 PolarHBondContact O-N 3.26Å; G286-S290 PolarHBondContact O-N 3.34Å; G286-S290 PolarHBondContact O-OG 2.92Å
287D90.1Very high94.3Very high123 Ų12347.6 Ų47.666%0.65826%0.259SS*.Hα-helixtrans-66.8-31.4178-64.1-18.2000114S285 S290 K291S285-D287 PolarHBondContact O-N 3.49Å; D287-S290 PolarHBondContact O-OG 2.89Å; D287-S290 VanDerWaalsContact O-OG 3.05Å; D287-K291 WeakPolarHBondContact O-CD 3.5Å; D287-K291 WeakPolarHBondContact O-CG 3.26Å
288K92.1Very high94.3Very high58 Ų5847.6 Ų47.625%0.25226%0.259SS..Hα-helixtrans-76.9-40.2173.4-72.5-173.3-177.1-174.50109.7L212 D213 L284 S285 G286 S290 K291 A292L212-K288 WeakPolarHBondContact CD1-O 3.26Å; L212-K288 WeakPolarHBondContact CD2-O 3.22Å; L212-K288 HydrophobicContact CG-CB 4.38Å; D213-K288 PolarHBondContact O-NZ 2.63Å; D213-K288 IonicContact OD1-NZ 2.7Å; D213-K288 PolarHBondContact OD1-NZ 3.33Å; L284-K288 HydrophobicContact CD2-CB 4.27Å; L284-K288 HydrophobicContact CD2-CD 4.12Å; S285-K288 PolarHBondContact O-N 3.15Å; S285-K288 WeakPolarHBondContact OG-CG 3.35Å; G286-K288 VanDerWaalsContact C-N 3.34Å; G286-K288 PolarHBondContact O-N 3.17Å; K288-S290 VanDerWaalsContact C-N 3.33Å; K288-S290 PolarHBondContact O-N 3.36Å; K288-K291 CarbonylContact O-C 3.53Å; K288-K291 PolarHBondContact O-N 3.29Å; K288-A292 PolarHBondContact O-N 3.37Å; K288-A292 VanDerWaalsContact O-N 3.14Å
289L90.9Very high94.4Very high21 Ų2146.2 Ų46.211%0.1125%0.252CS..Hα-helixtrans-63.2-38.4-178.6-162.773.7000112.8V281 L284 S285 G286 K291 A292 F318 L321V281-L289 HydrophobicContact CG1-CD1 4.15Å; L284-L289 HydrophobicContact CB-CD1 4.36Å; L284-L289 HydrophobicContact CD1-CD1 4.07Å; S285-L289 PolarHBondContact O-N 3.39Å; G286-L289 PolarHBondContact O-N 3.26Å; L289-K291 PolarHBondContact O-N 2.77Å; L289-A292 WeakPolarHBondContact O-CB 3.46Å; L289-A292 PolarHBondContact O-N 2.91Å; L289-A292 VanDerWaalsContact O-N 3.08Å; L289-F318 HydrophobicContact CD1-CD2 4.01Å; L289-F318 HydrophobicContact CD1-CE2 3.49Å; L289-F318 VanDerWaalsContact CD1-CE2 3.49Å; L289-F318 HydrophobicContact CG-CE2 4.19Å; L289-L321 HydrophobicContact CD2-CB 3.47Å; L289-L321 VanDerWaalsContact CD2-CB 3.47Å; L289-L321 WeakPolarHBondContact CD2-O 3.49Å
290S89.4Confident94.4Very high96 Ų9643 Ų4367%0.67124%0.237SC*.THydrogen-bonded Turntrans-65.6-22.1175630000113.5G286 D287 K288G286-S290 PolarHBondContact O-N 3.34Å; G286-S290 PolarHBondContact O-OG 2.92Å; D287-S290 PolarHBondContact O-OG 2.89Å; D287-S290 VanDerWaalsContact O-OG 3.05Å; K288-S290 VanDerWaalsContact C-N 3.33Å; K288-S290 PolarHBondContact O-N 3.36Å
291K91.8Very high94.3Very high152 Ų15247 Ų4766%0.66126%0.259SS*.THydrogen-bonded Turntrans-96.41.2175.4-62.7174.1-173.7173.60112.8L212 D287 K288 L289L212-K291 HydrophobicContact CD1-CB 3.97Å; D287-K291 WeakPolarHBondContact O-CD 3.5Å; D287-K291 WeakPolarHBondContact O-CG 3.26Å; K288-K291 CarbonylContact O-C 3.53Å; K288-K291 PolarHBondContact O-N 3.29Å; L289-K291 PolarHBondContact O-N 2.77Å
292A92.6Very high94.3Very high15 Ų1550 Ų5012%0.12428%0.279CS..SBendtrans-65.8137.9179.200000110.1L212 K288 L289 F318L212-A292 HydrophobicContact CD2-CB 3.6Å; K288-A292 PolarHBondContact O-N 3.37Å; K288-A292 VanDerWaalsContact O-N 3.14Å; L289-A292 WeakPolarHBondContact O-CB 3.46Å; L289-A292 PolarHBondContact O-N 2.91Å; L289-A292 VanDerWaalsContact O-N 3.08Å; A292-F318 HydrophobicContact CB-CE2 4.47Å; A292-F318 HydrophobicContact CB-CZ 4.02Å
293P93.4Very high94.3Very high12 Ų1245 Ų458%0.07826%0.255CS..PPolyproline II helixtrans-62.3153.2174.326.5-32.6000109.8A208 I232 V235 F295A208-P293 HydrophobicContact CB-CG 3.97Å; I232-P293 HydrophobicContact CG2-CB 4Å; I232-P293 HydrophobicContact CG2-CG 4.38Å; V235-P293 HydrophobicContact CG2-CG 4.47Å; P293-F295 HydrophobicContact CG-CE2 4.23Å; P293-F295 WeakPolarHBondContact O-CD2 3.26Å; P293-F295 PolarHBondContact O-N 3.3Å
294R96.1Very high94.2Very high39 Ų3943.7 Ų43.715%0.14725%0.252CS..EExtended strand (participates in β ladder)trans-66.4134.8177.3175.4168.4174151.90.9110.7G234 V235 N324 E360 L364 E367G234-R294 CarbonylContact C-O 3.47Å; G234-R294 WeakPolarHBondContact CA-O 3.5Å; V235-R294 PolarHBondContact N-O 2.84Å; R294-N324 WeakPolarHBondContact CA-O 3.44Å; R294-N324 HydrophobicContact CB-CB 4.22Å; R294-N324 WeakPolarHBondContact CD-OD1 3.35Å; R294-N324 HydrophobicContact CG-CB 4.33Å; R294-N324 VanDerWaalsContact CG-OD1 3.29Å; R294-N324 WeakPolarHBondContact CG-OD1 3.3Å; R294-E360 IonicContact CZ-OE2 2.64Å; R294-E360 IonicContact NE-OE2 3.45Å; R294-E360 IonicContact NH2-OE2 3.54Å; R294-E360 PolarHBondContact NH2-OE2 3.21Å; R294-L364 HydrophobicContact CB-CD2 3.6Å; R294-L364 HydrophobicContact CG-CD2 3.68Å; R294-E367 IonicContact CZ-OE2 3.56Å; R294-E367 IonicContact NH1-OE1 3.11Å; R294-E367 PolarHBondContact NH1-OE1 2.48Å; R294-E367 IonicContact NH1-OE2 3.31Å; R294-E367 PolarHBondContact NH1-OE2 3.47Å
295F98.1Very high94.1Very high1 Ų144.5 Ų44.50%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-103.5136.1175.4-79.5-102.5000111.2A205 A208 L209 V235 P293 F314 F318 N324 V325 S326A205-F295 HydrophobicContact CB-CE1 3.66Å; A205-F295 HydrophobicContact CB-CZ 4.37Å; A208-F295 HydrophobicContact CB-CZ 4.45Å; L209-F295 HydrophobicContact CD1-CZ 4.49Å; L209-F295 HydrophobicContact CD2-CE2 4.39Å; L209-F295 HydrophobicContact CD2-CZ 4.29Å; L209-F295 HydrophobicContact CG-CZ 4.12Å; V235-F295 HydrophobicContact CB-CD1 3.87Å; V235-F295 HydrophobicContact CB-CE1 3.83Å; V235-F295 HydrophobicContact CB-CG 4.4Å; V235-F295 HydrophobicContact CB-CZ 4.35Å; V235-F295 HydrophobicContact CG1-CD1 4.17Å; V235-F295 HydrophobicContact CG1-CE1 3.97Å; V235-F295 HydrophobicContact CG2-CE1 4.08Å; V235-F295 HydrophobicContact CG2-CZ 4.12Å; V235-F295 CarbonylContact O-C 3.48Å; V235-F295 WeakPolarHBondContact O-CA 3.4Å; P293-F295 HydrophobicContact CG-CE2 4.23Å; P293-F295 WeakPolarHBondContact O-CD2 3.26Å; P293-F295 PolarHBondContact O-N 3.3Å; F295-F314 HydrophobicContact CB-CE1 4.37Å; F295-F314 AromaticContact CD1-CE1 3.79Å; F295-F314 HydrophobicContact CD1-CE1 3.79Å; F295-F314 HydrophobicContact CD1-CZ 4.18Å; F295-F314 HydrophobicContact CE1-CE1 4.29Å; F295-F314 HydrophobicContact CE1-CZ 4.28Å; F295-F314 HydrophobicContact CG-CE1 4.11Å; F295-F314 HydrophobicContact CG-CZ 4.45Å; F295-F318 HydrophobicContact CB-CD1 4.38Å; F295-F318 HydrophobicContact CB-CE1 4.04Å; F295-F318 HydrophobicContact CD2-CD1 4.3Å; F295-F318 AromaticContact CD2-CE1 3.39Å; F295-F318 HydrophobicContact CD2-CE1 3.39Å; F295-F318 HydrophobicContact CD2-CZ 4.07Å; F295-F318 HydrophobicContact CE2-CE1 4.09Å; F295-F318 HydrophobicContact CE2-CZ 4.45Å; F295-F318 HydrophobicContact CG-CD1 4.48Å; F295-F318 AromaticContact CG-CE1 3.95Å; F295-F318 HydrophobicContact CG-CE1 3.95Å; F295-N324 PolarHBondContact N-O 2.92Å; F295-V325 HydrophobicContact CB-CB 4.32Å; F295-V325 HydrophobicContact CB-CG2 3.87Å; F295-V325 CarbonylContact O-C 3.55Å; F295-V325 VanDerWaalsContact O-CA 3.22Å; F295-V325 WeakPolarHBondContact O-CA 3.27Å; F295-S326 PolarHBondContact O-N 3.33Å
296V98.6Very high94.5Very high0 Ų041.6 Ų41.60%024%0.237CC..EExtended strand (participates in β ladder)trans-125118.2176.5178.80000107.2V235 I236 G237 L298 E360 L364V235-V296 PolarHBondContact O-N 2.96Å; I236-V296 CarbonylContact C-O 3.55Å; I236-V296 WeakPolarHBondContact CA-O 3.34Å; I236-V296 HydrophobicContact CB-CB 4.43Å; I236-V296 HydrophobicContact CG1-CB 4.09Å; I236-V296 HydrophobicContact CG1-CG2 4.46Å; I236-V296 HydrophobicContact CG2-CB 4.37Å; I236-V296 HydrophobicContact CG2-CG1 4.25Å; G237-V296 PolarHBondContact N-O 2.94Å; V296-L298 HydrophobicContact CG1-CD1 3.57Å; V296-E360 HydrophobicContact CB-CB 4.46Å; V296-E360 HydrophobicContact CG1-CB 3.79Å; V296-E360 HydrophobicContact CG1-CG 3.67Å; V296-E360 HydrophobicContact CG2-CB 3.93Å; V296-E360 HydrophobicContact CG2-CG 4.3Å; V296-L364 HydrophobicContact CG2-CD1 4.41Å
297L98.8Very high94.8Very high0 Ų039.9 Ų39.90%022%0.216CC..EExtended strand (participates in β ladder)trans-109.7117.4-173.7-48.7177.8000109.1Y242 S311 F314 V325 S326 L327 H328Y242-L297 HydrophobicContact CE1-CD2 3.9Å; Y242-L297 HydrophobicContact CE2-CD2 4.15Å; Y242-L297 VanDerWaalsContact OH-CD2 3.31Å; Y242-L297 WeakPolarHBondContact OH-CD2 3.13Å; L297-S311 WeakPolarHBondContact CD1-O 3.35Å; L297-F314 HydrophobicContact CD1-CB 4.5Å; L297-F314 HydrophobicContact CD1-CD1 3.69Å; L297-F314 HydrophobicContact CD1-CE1 4.49Å; L297-F314 HydrophobicContact CD2-CD1 3.87Å; L297-F314 HydrophobicContact CD2-CE1 4.11Å; L297-F314 HydrophobicContact CG-CD1 4.4Å; L297-V325 HydrophobicContact CD1-CG2 3.88Å; L297-V325 HydrophobicContact CG-CG2 4.04Å; L297-S326 PolarHBondContact N-O 3.15Å; L297-L327 HydrophobicContact CB-CD1 3.73Å; L297-L327 HydrophobicContact CD1-CD1 4.42Å; L297-L327 CarbonylContact O-C 3.49Å; L297-L327 WeakPolarHBondContact O-CA 3.38Å; L297-H328 PolarHBondContact O-N 2.95Å
298L98.6Very high95.2Very high0 Ų035.5 Ų35.50%019%0.193CC..EExtended strand (participates in β ladder)trans-108.6126.8173-81.165.9000108.2I236 G237 M238 S239 V296 H328 M338 I353 C356 I357I236-L298 HydrophobicContact CG2-CD1 4.01Å; G237-L298 PolarHBondContact O-N 2.83Å; M238-L298 CarbonylContact C-O 3.57Å; M238-L298 WeakPolarHBondContact CA-O 3.47Å; M238-L298 HydrophobicContact CG-CB 4.27Å; S239-L298 PolarHBondContact N-O 3.05Å; V296-L298 HydrophobicContact CG1-CD1 3.57Å; L298-H328 WeakPolarHBondContact CA-O 3.31Å; L298-H328 HydrophobicContact CD1-CB 4.4Å; L298-H328 HydrophobicContact CG-CB 4.18Å; L298-M338 HydrophobicContact CB-SD 4.45Å; L298-I353 HydrophobicContact CD2-CG2 4.24Å; L298-C356 HydrophobicContact CD2-CB 3.96Å; L298-C356 HydrophobicContact CG-CB 4.49Å; L298-I357 HydrophobicContact CD2-CD1 4.39Å; L298-I357 HydrophobicContact CD2-CG1 3.63Å
299H98.6Very high95.5Very high0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-146.4130.9-178.4-144.9123.8000112.1D303 V306 P307 V308 S311 H328 L329 L330H299-D303 IonicContact CD2-OD2 3.02Å; H299-D303 IonicContact NE2-OD2 3.04Å; H299-D303 PolarHBondContact NE2-OD2 3.12Å; H299-V306 PolarHBondContact NE2-O 2.88Å; H299-P307 PolarHBondContact CE1-O 3.05Å; H299-V308 HydrophobicContact CB-CG2 4.18Å; H299-S311 WeakPolarHBondContact ND1-CB 3.15Å; H299-S311 PolarHBondContact ND1-OG 3.31Å; H299-H328 PolarHBondContact N-O 3.35Å; H299-L329 HydrophobicContact CB-CD2 4.18Å; H299-L329 CarbonylContact O-C 3.52Å; H299-L329 WeakPolarHBondContact O-CA 3.36Å; H299-L330 PolarHBondContact O-N 3.32Å
300G97.9Very high95.8Very high0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-78.1138.217500000112.5C302 D303 L330 V333 M338G300-C302 PolarHBondContact O-N 3.08Å; G300-D303 WeakPolarHBondContact O-CB 3.35Å; G300-D303 PolarHBondContact O-N 3.47Å; G300-L330 WeakPolarHBondContact CA-O 3.24Å; G300-V333 CarbonylContact C-O 3.58Å; G300-V333 WeakPolarHBondContact CA-O 3.37Å; G300-M338 VanDerWaalsContact N-CE 3.33Å
301N95.4Very high96.3Very high89 Ų8932.1 Ų32.148%0.47617%0.168SC..THydrogen-bonded Turntrans-76.4-10.2179.371.6-9.2000113.9L330 T332N301-L330 PolarHBondContact N-O 3.29Å; N301-L330 VanDerWaalsContact N-O 3.08Å; N301-T332 WeakPolarHBondContact OD1-CA 3.29Å; N301-T332 PolarHBondContact OD1-N 2.74Å
302C95.3Very high96.6Very high63 Ų6326.3 Ų26.343%0.42615%0.145SC..THydrogen-bonded Turntrans-103.419.5174.1-68.30000112.2G300 I304 V333G300-C302 PolarHBondContact O-N 3.08Å; C302-I304 PolarHBondContact O-N 2.76Å; C302-V333 PolarHBondContact N-O 3.16Å
303D96.1Very high96.9Very high12 Ų1230 Ų306%0.06416%0.159CC..  trans-74106.5174.4-163.2-28.6000111.1S239 H299 G300 V305 V306 H335S239-D303 WeakPolarHBondContact CB-OD2 3.34Å; S239-D303 PolarHBondContact OG-OD2 3.31Å; H299-D303 IonicContact CD2-OD2 3.02Å; H299-D303 IonicContact NE2-OD2 3.04Å; H299-D303 PolarHBondContact NE2-OD2 3.12Å; G300-D303 WeakPolarHBondContact O-CB 3.35Å; G300-D303 PolarHBondContact O-N 3.47Å; D303-V305 PolarHBondContact OD1-N 3.47Å; D303-V306 VanDerWaalsContact CB-O 3.29Å; D303-V306 WeakPolarHBondContact CB-O 3.47Å; D303-V306 PolarHBondContact OD1-N 3.03Å; D303-H335 VanDerWaalsContact CG-ND1 3.29Å; D303-H335 VanDerWaalsContact OD1-CB 3.23Å; D303-H335 WeakPolarHBondContact OD1-CB 3.4Å; D303-H335 IonicContact OD1-CG 3.9Å; D303-H335 IonicContact OD1-ND1 2.71Å; D303-H335 PolarHBondContact OD1-ND1 2.85Å; D303-H335 VanDerWaalsContact OD1-ND1 3.11Å; D303-H335 WeakPolarHBondContact OD2-CA 3.44Å; D303-H335 IonicContact OD2-CE1 3.97Å; D303-H335 IonicContact OD2-CG 3.3Å; D303-H335 IonicContact OD2-ND1 3.59Å; D303-H335 PolarHBondContact OD2-ND1 2.99Å
304I91.6Very high97.1Very high99 Ų9929.4 Ų29.451%0.50816%0.155SC..SBendtrans-91-13.7176.664.3170000112.5H250 R254 C302H250-I304 PolarHBondContact NE2-O 3.47Å; R254-I304 PolarHBondContact NH1-O 3.08Å; R254-I304 VanDerWaalsContact NH1-O 3.09Å; C302-I304 PolarHBondContact O-N 2.76Å
305V92.9Very high97.2Very high37 Ų3731.7 Ų31.722%0.22416%0.164CC..SBendtrans-86.2-54.1-175.3-179.80000109.3H247 H250 R254 D303 H335H247-V305 PolarHBondContact CE1-O 3.05Å; H247-V305 VanDerWaalsContact CE1-O 3.31Å; H250-V305 PolarHBondContact CD2-O 2.83Å; H250-V305 PolarHBondContact NE2-O 3Å; R254-V305 VanDerWaalsContact NH1-CA 3.32Å; R254-V305 PolarHBondContact NH1-O 2.84Å; D303-V305 PolarHBondContact OD1-N 3.47Å; V305-H335 HydrophobicContact CB-CB 3.8Å; V305-H335 VanDerWaalsContact CB-CG 3.47Å; V305-H335 HydrophobicContact CG2-CB 3.69Å
306V96.9Very high97.3Very high1 Ų138.6 Ų38.61%0.00619%0.194CC..SBendtrans-113119.3170.9-177.30000106.9G240 V241 H299 D303 H335G240-V306 WeakPolarHBondContact O-CG1 3.14Å; V241-V306 HydrophobicContact CG2-CB 4.48Å; V241-V306 HydrophobicContact CG2-CG1 3.85Å; V241-V306 HydrophobicContact CG2-CG2 3.71Å; H299-V306 PolarHBondContact NE2-O 2.88Å; D303-V306 VanDerWaalsContact CB-O 3.29Å; D303-V306 WeakPolarHBondContact CB-O 3.47Å; D303-V306 PolarHBondContact OD1-N 3.03Å; V306-H335 VanDerWaalsContact CG2-CE1 3.43Å; V306-H335 WeakPolarHBondContact CG2-CE1 3.34Å
307P96.4Very high97.2Very high20 Ų2040.1 Ų40.113%0.1320%0.202CC..  trans-65.8141.2-178.326.9-31.9000110.2H250 H299 E309 S310H250-P307 HydrophobicContact CB-CG 4.18Å; H299-P307 PolarHBondContact CE1-O 3.05Å; P307-E309 HydrophobicContact CB-CB 4.42Å; P307-E309 VanDerWaalsContact CB-OE2 3.25Å; P307-E309 WeakPolarHBondContact CB-OE2 3.4Å; P307-E309 PolarHBondContact O-N 3.12Å; P307-S310 VanDerWaalsContact O-CB 3.28Å; P307-S310 WeakPolarHBondContact O-CB 3.21Å; P307-S310 PolarHBondContact O-N 3.05Å
308V97.8Very high97.1Very high30 Ų3040.1 Ų40.118%0.18220%0.202CC..THydrogen-bonded Turntrans-57-24.7178.169.50000112.3H299 S310 S311 T312 L329H299-V308 HydrophobicContact CB-CG2 4.18Å; V308-S310 PolarHBondContact O-N 2.73Å; V308-S311 PolarHBondContact O-N 2.98Å; V308-T312 HydrophobicContact CG2-CG2 4.24Å; V308-T312 WeakPolarHBondContact O-CG2 3.42Å; V308-T312 PolarHBondContact O-N 2.82Å; V308-T312 PolarHBondContact O-OG1 3.23Å; V308-L329 HydrophobicContact CG2-CD2 3.55Å
309E98Very high96.9Very high99 Ų9942.2 Ų42.246%0.46322%0.217SC..Hα-helixtrans-52-31.3169.6-70.675.8-171.300112.6P307 T312 K313P307-E309 HydrophobicContact CB-CB 4.42Å; P307-E309 VanDerWaalsContact CB-OE2 3.25Å; P307-E309 WeakPolarHBondContact CB-OE2 3.4Å; P307-E309 PolarHBondContact O-N 3.12Å; E309-T312 VanDerWaalsContact CA-OG1 3.23Å; E309-T312 WeakPolarHBondContact CA-OG1 3.4Å; E309-T312 PolarHBondContact O-OG1 3.34Å; E309-K313 WeakPolarHBondContact O-CB 3.39Å; E309-K313 WeakPolarHBondContact O-CG 3.38Å; E309-K313 PolarHBondContact O-N 3.04Å
310S98.4Very high96.9Very high6 Ų646.3 Ų46.34%0.04225%0.245CC..Hα-helixtrans-61-49.6178.1-1540000111.6G240 Y242 P307 V308 F314G240-S310 PolarHBondContact O-OG 2.59Å; Y242-S310 PolarHBondContact N-OG 3.49Å; P307-S310 VanDerWaalsContact O-CB 3.28Å; P307-S310 WeakPolarHBondContact O-CB 3.21Å; P307-S310 PolarHBondContact O-N 3.05Å; V308-S310 PolarHBondContact O-N 2.73Å; S310-F314 WeakPolarHBondContact O-CB 3.35Å; S310-F314 PolarHBondContact O-N 3.03Å
311S98.6Very high96.7Very high0 Ų049.4 Ų49.40%026%0.262CS..Hα-helixtrans-73.9-41177.9-71.50000112.4Y242 L297 H299 V308 F314 Y315Y242-S311 WeakPolarHBondContact CE2-OG 3.12Å; L297-S311 WeakPolarHBondContact CD1-O 3.35Å; H299-S311 WeakPolarHBondContact ND1-CB 3.15Å; H299-S311 PolarHBondContact ND1-OG 3.31Å; V308-S311 PolarHBondContact O-N 2.98Å; S311-F314 PolarHBondContact O-N 2.74Å; S311-Y315 VanDerWaalsContact O-CB 3.31Å; S311-Y315 WeakPolarHBondContact O-CB 3.49Å; S311-Y315 PolarHBondContact O-N 2.91Å
312T98.5Very high96.4Very high29 Ų2950.8 Ų50.818%0.17828%0.278CS..Hα-helixtrans-67.8-37.3-177.757.40000112.4V308 E309 K316 L327 L329V308-T312 HydrophobicContact CG2-CG2 4.24Å; V308-T312 WeakPolarHBondContact O-CG2 3.42Å; V308-T312 PolarHBondContact O-N 2.82Å; V308-T312 PolarHBondContact O-OG1 3.23Å; E309-T312 VanDerWaalsContact CA-OG1 3.23Å; E309-T312 WeakPolarHBondContact CA-OG1 3.4Å; E309-T312 PolarHBondContact O-OG1 3.34Å; T312-K316 WeakPolarHBondContact O-CB 3.29Å; T312-K316 VanDerWaalsContact O-CG 3.27Å; T312-K316 WeakPolarHBondContact O-CG 3.39Å; T312-K316 PolarHBondContact O-N 2.84Å; T312-L327 HydrophobicContact CG2-CD2 3.85Å; T312-L329 HydrophobicContact CG2-CD1 4.33Å; T312-L329 HydrophobicContact CG2-CD2 4.19Å
313K98.5Very high96.1Very high93 Ų9348.3 Ų48.340%0.40426%0.264SS..Hα-helixtrans-68.8-42.5174.5-71.8-178.1-177.8-173.60112D246 M278 E309 K316 L317D246-K313 WeakPolarHBondContact OD2-CD 3.48Å; D246-K313 IonicContact OD2-NZ 3.73Å; D246-K313 PolarHBondContact OD2-NZ 3.42Å; M278-K313 HydrophobicContact CE-CB 3.77Å; M278-K313 HydrophobicContact SD-CB 4.03Å; E309-K313 WeakPolarHBondContact O-CB 3.39Å; E309-K313 WeakPolarHBondContact O-CG 3.38Å; E309-K313 PolarHBondContact O-N 3.04Å; K313-K316 PolarHBondContact O-N 3.05Å; K313-L317 WeakPolarHBondContact O-CB 3.46Å; K313-L317 PolarHBondContact O-N 3.01Å
314F98.6Very high95.9Very high0 Ų051.4 Ų51.40%028%0.28CS..Hα-helixtrans-62.8-44.4175.8-176.7-118.2000111.6Y242 P277 M278 V281 F295 L297 S310 S311 K316 L317 F318Y242-F314 HydrophobicContact CD1-CB 4.38Å; Y242-F314 AromaticContact CD1-CD1 3.55Å; Y242-F314 HydrophobicContact CD1-CD1 3.55Å; Y242-F314 HydrophobicContact CD1-CD2 4.37Å; Y242-F314 AromaticContact CD1-CE1 3.88Å; Y242-F314 HydrophobicContact CD1-CE1 3.88Å; Y242-F314 AromaticContact CD1-CG 3.85Å; Y242-F314 HydrophobicContact CD1-CG 3.85Å; Y242-F314 HydrophobicContact CD1-CZ 4.4Å; Y242-F314 HydrophobicContact CD2-CB 4.11Å; Y242-F314 HydrophobicContact CD2-CD1 4.39Å; Y242-F314 HydrophobicContact CD2-CG 4.44Å; Y242-F314 AromaticContact CE1-CD1 3.94Å; Y242-F314 HydrophobicContact CE1-CD1 3.94Å; Y242-F314 HydrophobicContact CE1-CE1 4.11Å; Y242-F314 HydrophobicContact CG-CB 3.76Å; Y242-F314 AromaticContact CG-CD1 3.81Å; Y242-F314 HydrophobicContact CG-CD1 3.81Å; Y242-F314 HydrophobicContact CG-CD2 4.39Å; Y242-F314 AromaticContact CG-CG 3.73Å; Y242-F314 HydrophobicContact CG-CG 3.73Å; P277-F314 HydrophobicContact CB-CE2 4.04Å; P277-F314 HydrophobicContact CB-CZ 4.43Å; M278-F314 HydrophobicContact CB-CD2 4.46Å; M278-F314 HydrophobicContact CG-CB 3.97Å; M278-F314 HydrophobicContact CG-CD2 3.6Å; M278-F314 HydrophobicContact CG-CG 4.25Å; M278-F314 HydrophobicContact SD-CB 4.39Å; V281-F314 HydrophobicContact CB-CE2 4.43Å; V281-F314 HydrophobicContact CG2-CE2 3.88Å; V281-F314 HydrophobicContact CG2-CZ 4.28Å; F295-F314 HydrophobicContact CB-CE1 4.37Å; F295-F314 AromaticContact CD1-CE1 3.79Å; F295-F314 HydrophobicContact CD1-CE1 3.79Å; F295-F314 HydrophobicContact CD1-CZ 4.18Å; F295-F314 HydrophobicContact CE1-CE1 4.29Å; F295-F314 HydrophobicContact CE1-CZ 4.28Å; F295-F314 HydrophobicContact CG-CE1 4.11Å; F295-F314 HydrophobicContact CG-CZ 4.45Å; L297-F314 HydrophobicContact CD1-CB 4.5Å; L297-F314 HydrophobicContact CD1-CD1 3.69Å; L297-F314 HydrophobicContact CD1-CE1 4.49Å; L297-F314 HydrophobicContact CD2-CD1 3.87Å; L297-F314 HydrophobicContact CD2-CE1 4.11Å; L297-F314 HydrophobicContact CG-CD1 4.4Å; S310-F314 WeakPolarHBondContact O-CB 3.35Å; S310-F314 PolarHBondContact O-N 3.03Å; S311-F314 PolarHBondContact O-N 2.74Å; F314-K316 PolarHBondContact O-N 3.25Å; F314-L317 PolarHBondContact O-N 2.81Å; F314-F318 HydrophobicContact CE1-CD1 4.21Å; F314-F318 AromaticContact CZ-CD1 3.98Å; F314-F318 HydrophobicContact CZ-CD1 3.98Å; F314-F318 VanDerWaalsContact O-CB 3.25Å; F314-F318 WeakPolarHBondContact O-CB 3.46Å; F314-F318 PolarHBondContact O-N 3.41Å
315Y98.6Very high96.2Very high87 Ų8747.5 Ų47.534%0.34126%0.261SS..Hα-helixtrans-55-51.8173.1172.5-105.3000112.1S311 F318 S319 V325 L327S311-Y315 VanDerWaalsContact O-CB 3.31Å; S311-Y315 WeakPolarHBondContact O-CB 3.49Å; S311-Y315 PolarHBondContact O-N 2.91Å; Y315-F318 PolarHBondContact O-N 3.2Å; Y315-S319 WeakPolarHBondContact CE2-OG 3.48Å; Y315-S319 WeakPolarHBondContact O-CB 3.31Å; Y315-S319 PolarHBondContact O-N 3.3Å; Y315-S319 PolarHBondContact O-OG 3.49Å; Y315-V325 HydrophobicContact CD2-CB 4.42Å; Y315-V325 HydrophobicContact CD2-CG1 3.71Å; Y315-V325 HydrophobicContact CD2-CG2 4.04Å; Y315-V325 HydrophobicContact CE2-CG1 4.05Å; Y315-L327 HydrophobicContact CD1-CB 4.3Å; Y315-L327 HydrophobicContact CD1-CD2 3.99Å; Y315-L327 HydrophobicContact CD2-CB 3.67Å; Y315-L327 HydrophobicContact CE2-CB 4.16Å; Y315-L327 HydrophobicContact CG-CB 3.76Å; Y315-L327 HydrophobicContact CG-CD2 3.99Å; Y315-L327 HydrophobicContact CG-CG 4.49Å
316K98.4Very high96.4Very high146 Ų14646.5 Ų46.564%0.63526%0.256SS*.Hα-helixtrans-60.7-48-179.4-75.7174.5-179.4-177.60111.9T312 K313 F314 S320T312-K316 WeakPolarHBondContact O-CB 3.29Å; T312-K316 VanDerWaalsContact O-CG 3.27Å; T312-K316 WeakPolarHBondContact O-CG 3.39Å; T312-K316 PolarHBondContact O-N 2.84Å; K313-K316 PolarHBondContact O-N 3.05Å; F314-K316 PolarHBondContact O-N 3.25Å; K316-S320 WeakPolarHBondContact O-CB 3.42Å; K316-S320 PolarHBondContact O-N 3.02Å; K316-S320 PolarHBondContact O-OG 3.37Å
317L97.8Very high96.5Very high32 Ų3248.5 Ų48.517%0.16827%0.266CS..Hα-helixtrans-60.3-53.5178.5174.662.8000110.7M278 Q282 K313 F314 S319 S320 L321M278-L317 HydrophobicContact CB-CD2 3.88Å; M278-L317 HydrophobicContact CE-CD2 4.1Å; M278-L317 HydrophobicContact CG-CD2 4.13Å; M278-L317 VanDerWaalsContact O-CD2 3.3Å; M278-L317 WeakPolarHBondContact O-CD2 3.29Å; Q282-L317 HydrophobicContact CB-CD2 4.45Å; K313-L317 WeakPolarHBondContact O-CB 3.46Å; K313-L317 PolarHBondContact O-N 3.01Å; F314-L317 PolarHBondContact O-N 2.81Å; L317-S319 PolarHBondContact O-N 3.22Å; L317-S320 PolarHBondContact O-N 3.15Å; L317-S320 PolarHBondContact O-OG 3.37Å; L317-L321 HydrophobicContact CD1-CD1 4.12Å; L317-L321 HydrophobicContact CG-CD1 4.37Å; L317-L321 WeakPolarHBondContact O-CG 3.42Å; L317-L321 PolarHBondContact O-N 3.46Å
318F95.8Very high96.6Very high0 Ų048.9 Ų48.90%027%0.266CS..Hα-helixtrans-68.9-36.3-173.5-166.3-158.3000112.1V281 L289 A292 F295 F314 Y315 L321 G323 V325V281-F318 HydrophobicContact CG1-CB 4.24Å; V281-F318 HydrophobicContact CG1-CD2 3.52Å; V281-F318 HydrophobicContact CG1-CE2 4.18Å; V281-F318 HydrophobicContact CG1-CG 4.06Å; V281-F318 HydrophobicContact CG2-CD2 4.45Å; L289-F318 HydrophobicContact CD1-CD2 4.01Å; L289-F318 HydrophobicContact CD1-CE2 3.49Å; L289-F318 VanDerWaalsContact CD1-CE2 3.49Å; L289-F318 HydrophobicContact CG-CE2 4.19Å; A292-F318 HydrophobicContact CB-CE2 4.47Å; A292-F318 HydrophobicContact CB-CZ 4.02Å; F295-F318 HydrophobicContact CB-CD1 4.38Å; F295-F318 HydrophobicContact CB-CE1 4.04Å; F295-F318 HydrophobicContact CD2-CD1 4.3Å; F295-F318 AromaticContact CD2-CE1 3.39Å; F295-F318 HydrophobicContact CD2-CE1 3.39Å; F295-F318 HydrophobicContact CD2-CZ 4.07Å; F295-F318 HydrophobicContact CE2-CE1 4.09Å; F295-F318 HydrophobicContact CE2-CZ 4.45Å; F295-F318 HydrophobicContact CG-CD1 4.48Å; F295-F318 AromaticContact CG-CE1 3.95Å; F295-F318 HydrophobicContact CG-CE1 3.95Å; F314-F318 HydrophobicContact CE1-CD1 4.21Å; F314-F318 AromaticContact CZ-CD1 3.98Å; F314-F318 HydrophobicContact CZ-CD1 3.98Å; F314-F318 VanDerWaalsContact O-CB 3.25Å; F314-F318 WeakPolarHBondContact O-CB 3.46Å; F314-F318 PolarHBondContact O-N 3.41Å; Y315-F318 PolarHBondContact O-N 3.2Å; F318-L321 PolarHBondContact O-N 3.04Å; F318-G323 VanDerWaalsContact CE2-CA 3.45Å; F318-G323 WeakPolarHBondContact O-CA 3.17Å; F318-G323 PolarHBondContact O-N 3.45Å; F318-V325 HydrophobicContact CB-CG1 4.1Å; F318-V325 HydrophobicContact CD1-CB 3.64Å; F318-V325 HydrophobicContact CD1-CG1 4.06Å; F318-V325 HydrophobicContact CD1-CG2 4.09Å; F318-V325 HydrophobicContact CE1-CB 4.15Å; F318-V325 HydrophobicContact CG-CB 4.38Å; F318-V325 HydrophobicContact CG-CG1 4.32Å
319S96.1Very high96.6Very high43 Ų4351.7 Ų51.730%0.30128%0.279SS..Hα-helixtrans-63.6-40.2171.3-56.10000112.3Y315 L317 L321 S322 V325Y315-S319 WeakPolarHBondContact CE2-OG 3.48Å; Y315-S319 WeakPolarHBondContact O-CB 3.31Å; Y315-S319 PolarHBondContact O-N 3.3Å; Y315-S319 PolarHBondContact O-OG 3.49Å; L317-S319 PolarHBondContact O-N 3.22Å; S319-L321 PolarHBondContact O-N 3.01Å; S319-S322 PolarHBondContact O-N 2.87Å; S319-V325 WeakPolarHBondContact OG-CG1 3.18Å
320S96.7Very high96.6Very high87 Ų8747.6 Ų47.661%0.60826%0.261SS*.Hα-helixtrans-64.4-22.1178.973.30000113.4K316 L317 S322K316-S320 WeakPolarHBondContact O-CB 3.42Å; K316-S320 PolarHBondContact O-N 3.02Å; K316-S320 PolarHBondContact O-OG 3.37Å; L317-S320 PolarHBondContact O-N 3.15Å; L317-S320 PolarHBondContact O-OG 3.37Å; S320-S322 VanDerWaalsContact C-N 3.32Å
321L94.9Very high96.4Very high65 Ų6551.6 Ų51.634%0.3429%0.286SS..THydrogen-bonded Turntrans-93.311.8175.5-58.9169.5000111.9V281 L289 L317 F318 S319 G323V281-L321 HydrophobicContact CG1-CD1 3.75Å; L289-L321 HydrophobicContact CD2-CB 3.47Å; L289-L321 VanDerWaalsContact CD2-CB 3.47Å; L289-L321 WeakPolarHBondContact CD2-O 3.49Å; L317-L321 HydrophobicContact CD1-CD1 4.12Å; L317-L321 HydrophobicContact CG-CD1 4.37Å; L317-L321 WeakPolarHBondContact O-CG 3.42Å; L317-L321 PolarHBondContact O-N 3.46Å; F318-L321 PolarHBondContact O-N 3.04Å; S319-L321 PolarHBondContact O-N 3.01Å; L321-G323 PolarHBondContact O-N 2.81Å
322S89.3Confident96.3Very high117 Ų11754.7 Ų54.782%0.81831%0.305SS*.THydrogen-bonded Turntrans62.223.9-174.7-49.90000114.4S319 S320S319-S322 PolarHBondContact O-N 2.87Å; S320-S322 VanDerWaalsContact C-N 3.32Å
323G87.6Confident96.2Very high12 Ų1253.4 Ų53.412%0.12430%0.297CS..  trans-74.1150.6173.800000112.9F318 L321 V325F318-G323 VanDerWaalsContact CE2-CA 3.45Å; F318-G323 WeakPolarHBondContact O-CA 3.17Å; F318-G323 PolarHBondContact O-N 3.45Å; L321-G323 PolarHBondContact O-N 2.81Å; G323-V325 PolarHBondContact O-N 3.4Å
324N93.3Very high96Very high77 Ų7751 Ų5141%0.41229%0.289SS..  trans-81.598179.4-165.6-15.9000110.8R294 F295R294-N324 WeakPolarHBondContact CA-O 3.44Å; R294-N324 HydrophobicContact CB-CB 4.22Å; R294-N324 WeakPolarHBondContact CD-OD1 3.35Å; R294-N324 HydrophobicContact CG-CB 4.33Å; R294-N324 VanDerWaalsContact CG-OD1 3.29Å; R294-N324 WeakPolarHBondContact CG-OD1 3.3Å; F295-N324 PolarHBondContact N-O 2.92Å
325V97.2Very high95.9Very high17 Ų1751.8 Ų51.810%0.10329%0.293CS..EExtended strand (participates in β ladder)trans-140142-178.765.10000112.6F295 L297 Y315 F318 S319 G323F295-V325 HydrophobicContact CB-CB 4.32Å; F295-V325 HydrophobicContact CB-CG2 3.87Å; F295-V325 CarbonylContact O-C 3.55Å; F295-V325 VanDerWaalsContact O-CA 3.22Å; F295-V325 WeakPolarHBondContact O-CA 3.27Å; L297-V325 HydrophobicContact CD1-CG2 3.88Å; L297-V325 HydrophobicContact CG-CG2 4.04Å; Y315-V325 HydrophobicContact CD2-CB 4.42Å; Y315-V325 HydrophobicContact CD2-CG1 3.71Å; Y315-V325 HydrophobicContact CD2-CG2 4.04Å; Y315-V325 HydrophobicContact CE2-CG1 4.05Å; F318-V325 HydrophobicContact CB-CG1 4.1Å; F318-V325 HydrophobicContact CD1-CB 3.64Å; F318-V325 HydrophobicContact CD1-CG1 4.06Å; F318-V325 HydrophobicContact CD1-CG2 4.09Å; F318-V325 HydrophobicContact CE1-CB 4.15Å; F318-V325 HydrophobicContact CG-CB 4.38Å; F318-V325 HydrophobicContact CG-CG1 4.32Å; S319-V325 WeakPolarHBondContact OG-CG1 3.18Å; G323-V325 PolarHBondContact O-N 3.4Å
326S97.9Very high95.6Very high16 Ų1648.8 Ų48.811%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-125.2151.4170.567.40000111.3F295 L297 E360F295-S326 PolarHBondContact O-N 3.33Å; L297-S326 PolarHBondContact N-O 3.15Å; S326-E360 PolarHBondContact OG-OE2 2.89Å
327L98.5Very high95.5Very high43 Ų4343.6 Ų43.623%0.22526%0.261CS..EExtended strand (participates in β ladder)trans-130.4126.7-179.5176.667.2000110.3L297 T312 Y315 L329L297-L327 HydrophobicContact CB-CD1 3.73Å; L297-L327 HydrophobicContact CD1-CD1 4.42Å; L297-L327 CarbonylContact O-C 3.49Å; L297-L327 WeakPolarHBondContact O-CA 3.38Å; T312-L327 HydrophobicContact CG2-CD2 3.85Å; Y315-L327 HydrophobicContact CD1-CB 4.3Å; Y315-L327 HydrophobicContact CD1-CD2 3.99Å; Y315-L327 HydrophobicContact CD2-CB 3.67Å; Y315-L327 HydrophobicContact CE2-CB 4.16Å; Y315-L327 HydrophobicContact CG-CB 3.76Å; Y315-L327 HydrophobicContact CG-CD2 3.99Å; Y315-L327 HydrophobicContact CG-CG 4.49Å; L327-L329 HydrophobicContact CD1-CD2 3.87Å; L327-L329 HydrophobicContact CD2-CD2 4.18Å; L327-L329 HydrophobicContact CD2-CG 4.29Å; L327-L329 HydrophobicContact CG-CD2 4.07Å; L327-L329 HydrophobicContact CG-CG 4.22Å
328H98.4Very high95.5Very high28 Ų2842 Ų4213%0.1325%0.253CS..EExtended strand (participates in β ladder)trans-119.8107.8175.8-56.3-81.9000108.6L297 L298 H299 R359 E360L297-H328 PolarHBondContact O-N 2.95Å; L298-H328 WeakPolarHBondContact CA-O 3.31Å; L298-H328 HydrophobicContact CD1-CB 4.4Å; L298-H328 HydrophobicContact CG-CB 4.18Å; H299-H328 PolarHBondContact N-O 3.35Å; H328-R359 PolarHBondContact CE1-NH2 2.9Å; H328-R359 PolarHBondContact ND1-NH2 2.91Å; H328-E360 IonicContact CE1-OE1 2.84Å; H328-E360 IonicContact NE2-OE1 3.47Å
329L98.2Very high95.5Very high88 Ų8842.3 Ų42.346%0.46126%0.255SS..EExtended strand (participates in β ladder)trans-89.8122.1174.9-61.6-176.7000109.5H299 V308 T312 L327 P331H299-L329 HydrophobicContact CB-CD2 4.18Å; H299-L329 CarbonylContact O-C 3.52Å; H299-L329 WeakPolarHBondContact O-CA 3.36Å; V308-L329 HydrophobicContact CG2-CD2 3.55Å; T312-L329 HydrophobicContact CG2-CD1 4.33Å; T312-L329 HydrophobicContact CG2-CD2 4.19Å; L327-L329 HydrophobicContact CD1-CD2 3.87Å; L327-L329 HydrophobicContact CD2-CD2 4.18Å; L327-L329 HydrophobicContact CD2-CG 4.29Å; L327-L329 HydrophobicContact CG-CD2 4.07Å; L327-L329 HydrophobicContact CG-CG 4.22Å; L329-P331 WeakPolarHBondContact O-CD 3.25Å
330L97.1Very high95.4Very high14 Ų1441.1 Ų41.17%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-99.2115.1-176.5-59.9-178.5000110.2H299 G300 N301 V333 M338 I353H299-L330 PolarHBondContact O-N 3.32Å; G300-L330 WeakPolarHBondContact CA-O 3.24Å; N301-L330 PolarHBondContact N-O 3.29Å; N301-L330 VanDerWaalsContact N-O 3.08Å; L330-V333 HydrophobicContact CB-CB 4Å; L330-V333 HydrophobicContact CB-CG2 3.67Å; L330-V333 HydrophobicContact CD1-CG2 4.38Å; L330-M338 HydrophobicContact CD1-CE 3.87Å; L330-M338 HydrophobicContact CD1-SD 3.98Å; L330-I353 HydrophobicContact CD1-CB 4.44Å; L330-I353 HydrophobicContact CD1-CG1 3.66Å; L330-I353 HydrophobicContact CD1-CG2 4.49Å
331P95.5Very high95.4Very high89 Ų8937.2 Ų37.258%0.57822%0.218SC*.THydrogen-bonded Turntrans-64.9137.3-179.6-21.232.9000111.8L329 V333L329-P331 WeakPolarHBondContact O-CD 3.25Å; P331-V333 PolarHBondContact O-N 3.18Å
332T94.9Very high95.5Very high65 Ų6534.1 Ų34.140%0.39920%0.202SC..THydrogen-bonded Turntrans64.5-4.3175.468.80000116.6N301 F349N301-T332 WeakPolarHBondContact OD1-CA 3.29Å; N301-T332 PolarHBondContact OD1-N 2.74Å; T332-F349 WeakPolarHBondContact OG1-CZ 3.41Å
333V96.8Very high95.8Very high2 Ų228.8 Ų28.81%0.01216%0.164CC..  trans-72.1130.5177.1179.60000109.4G300 C302 L330 P331 E337 M338 F349G300-V333 CarbonylContact C-O 3.58Å; G300-V333 WeakPolarHBondContact CA-O 3.37Å; C302-V333 PolarHBondContact N-O 3.16Å; L330-V333 HydrophobicContact CB-CB 4Å; L330-V333 HydrophobicContact CB-CG2 3.67Å; L330-V333 HydrophobicContact CD1-CG2 4.38Å; P331-V333 PolarHBondContact O-N 3.18Å; V333-E337 HydrophobicContact CG1-CB 4.27Å; V333-M338 HydrophobicContact CG1-CB 4.23Å; V333-M338 HydrophobicContact CG1-CE 4.06Å; V333-F349 HydrophobicContact CG2-CB 4.28Å; V333-F349 HydrophobicContact CG2-CD1 3.53Å; V333-F349 HydrophobicContact CG2-CD2 4.16Å; V333-F349 HydrophobicContact CG2-CE1 3.73Å; V333-F349 HydrophobicContact CG2-CE2 4.33Å; V333-F349 HydrophobicContact CG2-CG 3.75Å; V333-F349 HydrophobicContact CG2-CZ 4.12Å
334N95Very high96.2Very high44 Ų4429.9 Ų29.924%0.23517%0.167CC..  trans-96176171.875.348.5000112.8T336 E337 M338N334-T336 PolarHBondContact O-N 3.05Å; N334-T336 PolarHBondContact OD1-N 2.84Å; N334-E337 VanDerWaalsContact CG-CD 3.5Å; N334-E337 PolarHBondContact N-OE2 3.05Å; N334-E337 WeakPolarHBondContact ND2-CG 3.34Å; N334-E337 PolarHBondContact ND2-OE1 2.97Å; N334-E337 PolarHBondContact ND2-OE2 3.4Å; N334-E337 PolarHBondContact OD1-N 2.98Å; N334-M338 PolarHBondContact O-N 2.91Å
335H95.9Very high96.2Very high16 Ų1629.3 Ų29.37%0.07417%0.169CC..THydrogen-bonded Turntrans-55.4-37.1-176.3-162.766.8000114.7H197 S198 D303 V305 V306H197-H335 AromaticContact CE1-CD2 3.99Å; H197-H335 AromaticContact CE1-NE2 3.69Å; H197-H335 AromaticContact NE2-CD2 3.99Å; H197-H335 AromaticContact NE2-CE1 3.91Å; H197-H335 AromaticContact NE2-NE2 3.75Å; H197-H335 PolarHBondContact NE2-O 2.87Å; S198-H335 VanDerWaalsContact CB-NE2 3.34Å; S198-H335 WeakPolarHBondContact CB-NE2 3.34Å; S198-H335 PolarHBondContact OG-CE1 2.79Å; S198-H335 VanDerWaalsContact OG-CE1 3.3Å; S198-H335 PolarHBondContact OG-NE2 3.08Å; D303-H335 VanDerWaalsContact CG-ND1 3.29Å; D303-H335 VanDerWaalsContact OD1-CB 3.23Å; D303-H335 WeakPolarHBondContact OD1-CB 3.4Å; D303-H335 IonicContact OD1-CG 3.9Å; D303-H335 IonicContact OD1-ND1 2.71Å; D303-H335 PolarHBondContact OD1-ND1 2.85Å; D303-H335 VanDerWaalsContact OD1-ND1 3.11Å; D303-H335 WeakPolarHBondContact OD2-CA 3.44Å; D303-H335 IonicContact OD2-CE1 3.97Å; D303-H335 IonicContact OD2-CG 3.3Å; D303-H335 IonicContact OD2-ND1 3.59Å; D303-H335 PolarHBondContact OD2-ND1 2.99Å; V305-H335 HydrophobicContact CB-CB 3.8Å; V305-H335 VanDerWaalsContact CB-CG 3.47Å; V305-H335 HydrophobicContact CG2-CB 3.69Å; V306-H335 VanDerWaalsContact CG2-CE1 3.43Å; V306-H335 WeakPolarHBondContact CG2-CE1 3.34Å
336T93.3Very high96Very high23 Ų2334.6 Ų34.614%0.14120%0.201CC..THydrogen-bonded Turntrans-89.1-44.2-170.9-57.80000110.3Y66 Y69 N334 M338 V339 T340Y66-T336 HydrophobicContact CD1-CG2 4.23Å; Y66-T336 HydrophobicContact CE1-CG2 3.84Å; Y66-T336 VanDerWaalsContact CE1-OG1 3.29Å; Y66-T336 WeakPolarHBondContact CE1-OG1 3.36Å; Y69-T336 HydrophobicContact CD2-CG2 4.48Å; Y69-T336 HydrophobicContact CE2-CG2 3.77Å; N334-T336 PolarHBondContact O-N 3.05Å; N334-T336 PolarHBondContact OD1-N 2.84Å; T336-M338 PolarHBondContact O-N 2.76Å; T336-V339 PolarHBondContact O-N 2.99Å; T336-T340 HydrophobicContact CG2-CG2 3.58Å; T336-T340 PolarHBondContact O-N 3.01Å; T336-T340 PolarHBondContact O-OG1 3.23Å
337E95.7Very high95.9Very high37 Ų3736.7 Ų36.717%0.17321%0.207CC..Hα-helixtrans-55.8-33.7175.2-73169162.700111.9V333 N334 V339 T340 D341 F349V333-E337 HydrophobicContact CG1-CB 4.27Å; N334-E337 VanDerWaalsContact CG-CD 3.5Å; N334-E337 PolarHBondContact N-OE2 3.05Å; N334-E337 WeakPolarHBondContact ND2-CG 3.34Å; N334-E337 PolarHBondContact ND2-OE1 2.97Å; N334-E337 PolarHBondContact ND2-OE2 3.4Å; N334-E337 PolarHBondContact OD1-N 2.98Å; E337-V339 PolarHBondContact O-N 2.59Å; E337-T340 WeakPolarHBondContact CA-OG1 3.4Å; E337-D341 VanDerWaalsContact O-CB 3.26Å; E337-D341 WeakPolarHBondContact O-CB 3.39Å; E337-D341 PolarHBondContact O-N 3.15Å; E337-D341 VanDerWaalsContact O-N 3.08Å; E337-F349 HydrophobicContact CB-CD2 4.06Å; E337-F349 HydrophobicContact CB-CE2 4.45Å; E337-F349 HydrophobicContact CG-CD2 4.34Å; E337-F349 HydrophobicContact CG-CE2 4.43Å; E337-F349 WeakPolarHBondContact OE2-CE2 3.4Å
338M96.6Very high95.7Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-48.6-29173.2-17463.874.600113.5M238 L298 G300 L330 V333 N334 T336 L342 I353M238-M338 HydrophobicContact CB-CG 3.75Å; M238-M338 HydrophobicContact CB-SD 4.14Å; M238-M338 HydrophobicContact CG-SD 4.49Å; L298-M338 HydrophobicContact CB-SD 4.45Å; G300-M338 VanDerWaalsContact N-CE 3.33Å; L330-M338 HydrophobicContact CD1-CE 3.87Å; L330-M338 HydrophobicContact CD1-SD 3.98Å; V333-M338 HydrophobicContact CG1-CB 4.23Å; V333-M338 HydrophobicContact CG1-CE 4.06Å; N334-M338 PolarHBondContact O-N 2.91Å; T336-M338 PolarHBondContact O-N 2.76Å; M338-L342 WeakPolarHBondContact O-CD1 3.23Å; M338-I353 HydrophobicContact SD-CD1 4.46Å; M338-I353 HydrophobicContact SD-CG2 4.28Å
339V95.9Very high95.7Very high6 Ų642.3 Ų42.34%0.03622%0.224CC..Hα-helixtrans-117-43.3-178.8163.10000112.6Y136 L139 H197 M238 T336 E337 D341 L342 M343Y136-V339 HydrophobicContact CD1-CG1 4.01Å; Y136-V339 HydrophobicContact CE1-CG1 3.69Å; L139-V339 HydrophobicContact CD1-CB 4.39Å; L139-V339 HydrophobicContact CD1-CG1 3.75Å; L139-V339 HydrophobicContact CD1-CG2 4.47Å; H197-V339 HydrophobicContact CB-CG2 3.56Å; H197-V339 WeakPolarHBondContact CD2-CG2 3.25Å; M238-V339 HydrophobicContact CE-CG2 4.28Å; T336-V339 PolarHBondContact O-N 2.99Å; E337-V339 PolarHBondContact O-N 2.59Å; V339-D341 VanDerWaalsContact C-N 3.26Å; V339-D341 PolarHBondContact O-N 3.03Å; V339-L342 WeakPolarHBondContact O-CB 3.4Å; V339-L342 PolarHBondContact O-N 3.43Å; V339-L342 VanDerWaalsContact O-N 3.16Å; V339-M343 HydrophobicContact CG1-CE 3.99Å
340T95.1Very high95.6Very high17 Ų1738.2 Ų38.210%0.10420%0.203CC..Hα-helixtrans-68.2-29.7-176.453.40000111.9Y69 L72 T336 E337 L342 M343Y69-T340 HydrophobicContact CD1-CG2 4.23Å; Y69-T340 HydrophobicContact CE1-CG2 4.17Å; Y69-T340 WeakPolarHBondContact CE1-OG1 3.36Å; L72-T340 HydrophobicContact CD2-CG2 4.19Å; T336-T340 HydrophobicContact CG2-CG2 3.58Å; T336-T340 PolarHBondContact O-N 3.01Å; T336-T340 PolarHBondContact O-OG1 3.23Å; E337-T340 WeakPolarHBondContact CA-OG1 3.4Å; T340-L342 VanDerWaalsContact C-N 3.3Å; T340-M343 WeakPolarHBondContact O-CB 3.43Å; T340-M343 PolarHBondContact O-N 3.45Å
341D96.4Very high95.6Very high5 Ų542.5 Ų42.53%0.02722%0.222CC..G310 helixtrans-73.3-24.9175.8-78.426.1000111.9E337 V339 M343 R347 R348 F349 Y350E337-D341 VanDerWaalsContact O-CB 3.26Å; E337-D341 WeakPolarHBondContact O-CB 3.39Å; E337-D341 PolarHBondContact O-N 3.15Å; E337-D341 VanDerWaalsContact O-N 3.08Å; V339-D341 VanDerWaalsContact C-N 3.26Å; V339-D341 PolarHBondContact O-N 3.03Å; D341-M343 PolarHBondContact O-N 3.2Å; D341-R347 HydrophobicContact CB-CB 3.67Å; D341-R347 HydrophobicContact CB-CG 4.39Å; D341-R347 WeakPolarHBondContact O-CB 3.44Å; D341-R347 WeakPolarHBondContact OD1-CD 3.49Å; D341-R348 PolarHBondContact OD2-N 2.89Å; D341-F349 HydrophobicContact CB-CB 4Å; D341-F349 WeakPolarHBondContact OD2-CB 3.5Å; D341-F349 VanDerWaalsContact OD2-CD2 3.31Å; D341-F349 WeakPolarHBondContact OD2-CD2 3.32Å; D341-F349 PolarHBondContact OD2-N 3.43Å; D341-Y350 VanDerWaalsContact O-CD2 3.31Å; D341-Y350 WeakPolarHBondContact O-CD2 3.32Å
342L97.3Very high95.7Very high0 Ų040.5 Ų40.50%021%0.209CC..G310 helixtrans-72.2-11.1173-61.9179.8000113.5L139 Q142 M238 M338 V339 T340 I353 F354 I357L139-L342 HydrophobicContact CD1-CB 3.98Å; L139-L342 HydrophobicContact CD1-CD1 4.14Å; L139-L342 HydrophobicContact CG-CB 4.06Å; Q142-L342 WeakPolarHBondContact CB-O 3.4Å; Q142-L342 WeakPolarHBondContact CG-O 3.47Å; M238-L342 HydrophobicContact CE-CD1 4.25Å; M238-L342 HydrophobicContact SD-CD1 3.95Å; M338-L342 WeakPolarHBondContact O-CD1 3.23Å; V339-L342 WeakPolarHBondContact O-CB 3.4Å; V339-L342 PolarHBondContact O-N 3.43Å; V339-L342 VanDerWaalsContact O-N 3.16Å; T340-L342 VanDerWaalsContact C-N 3.3Å; L342-I353 HydrophobicContact CD1-CG2 4.02Å; L342-I353 HydrophobicContact CD2-CB 3.7Å; L342-I353 HydrophobicContact CD2-CD1 4.41Å; L342-I353 HydrophobicContact CD2-CG2 3.6Å; L342-I353 HydrophobicContact CG-CG2 4.12Å; L342-F354 HydrophobicContact CB-CE2 3.93Å; L342-F354 HydrophobicContact CB-CZ 4.14Å; L342-F354 HydrophobicContact CD2-CD1 4.32Å; L342-F354 HydrophobicContact CD2-CD2 3.41Å; L342-F354 VanDerWaalsContact CD2-CD2 3.41Å; L342-F354 HydrophobicContact CD2-CE1 4.3Å; L342-F354 HydrophobicContact CD2-CE2 3.42Å; L342-F354 VanDerWaalsContact CD2-CE2 3.42Å; L342-F354 HydrophobicContact CD2-CG 3.88Å; L342-F354 HydrophobicContact CD2-CZ 3.88Å; L342-F354 HydrophobicContact CG-CE2 4.27Å; L342-I357 HydrophobicContact CD1-CD1 4.01Å
343M96.1Very high95.8Very high6 Ų637.4 Ų37.43%0.0319%0.19CC..G310 helixtrans-81.6-19.6-178.5-65.3-176.6176.500113.5L72 I76 I135 Y136 L138 L139 V339 T340 D341L72-M343 HydrophobicContact CD1-CB 4Å; L72-M343 HydrophobicContact CD1-SD 4.24Å; L72-M343 HydrophobicContact CD2-SD 3.93Å; L72-M343 HydrophobicContact CG-SD 4.31Å; I76-M343 HydrophobicContact CD1-CE 4.39Å; I76-M343 HydrophobicContact CD1-SD 3.66Å; I76-M343 HydrophobicContact CG1-SD 4.29Å; I135-M343 WeakPolarHBondContact O-CE 2.92Å; Y136-M343 HydrophobicContact CD1-CE 4.09Å; L138-M343 HydrophobicContact CB-CB 3.92Å; L138-M343 HydrophobicContact CB-CG 4.32Å; L138-M343 WeakPolarHBondContact CB-O 3.46Å; L139-M343 HydrophobicContact CB-CG 3.93Å; V339-M343 HydrophobicContact CG1-CE 3.99Å; T340-M343 WeakPolarHBondContact O-CB 3.43Å; T340-M343 PolarHBondContact O-N 3.45Å; D341-M343 PolarHBondContact O-N 3.2Å
344L94.4Very high95.8Very high35 Ų3537.3 Ų37.318%0.18319%0.19CC..  trans-144.8127.7-177.8-61171.9000110.4L72 L138 T346 R347 Y350L72-L344 HydrophobicContact CD1-CD1 3.73Å; L72-L344 HydrophobicContact CD1-CG 3.91Å; L138-L344 HydrophobicContact CD1-CD2 4.23Å; L344-T346 PolarHBondContact O-N 2.96Å; L344-R347 HydrophobicContact CB-CG 3.81Å; L344-R347 VanDerWaalsContact O-CB 3.27Å; L344-R347 WeakPolarHBondContact O-CB 3.39Å; L344-R347 WeakPolarHBondContact O-CG 3.2Å; L344-R347 PolarHBondContact O-N 3.36Å; L344-Y350 VanDerWaalsContact C-CD2 3.46Å; L344-Y350 VanDerWaalsContact O-CD2 3.3Å; L344-Y350 WeakPolarHBondContact O-CD2 3.37Å
345S93.4Very high95.9Very high65 Ų6543 Ų4346%0.45521%0.208SC..THydrogen-bonded Turntrans-57.5-23.2178.757.10000115.2R347 Y350S345-R347 VanDerWaalsContact C-N 3.26Å; S345-R347 PolarHBondContact O-N 3.43Å; S345-Y350 VanDerWaalsContact CA-CD2 3.44Å
346T94.4Very high95.9Very high127 Ų12743.2 Ų43.278%0.77921%0.211SC*.THydrogen-bonded Turntrans-79.1-5.1178.852.80000114.2L344L344-T346 PolarHBondContact O-N 2.96Å
347R94.9Very high96.1Very high60 Ų6042.1 Ų42.123%0.22620%0.204CC..SBendtrans-79.7149-177.2-68.6-97177.4178.8-5.2111.5D341 L344 S345 F349 Y350D341-R347 HydrophobicContact CB-CB 3.67Å; D341-R347 HydrophobicContact CB-CG 4.39Å; D341-R347 WeakPolarHBondContact O-CB 3.44Å; D341-R347 WeakPolarHBondContact OD1-CD 3.49Å; L344-R347 HydrophobicContact CB-CG 3.81Å; L344-R347 VanDerWaalsContact O-CB 3.27Å; L344-R347 WeakPolarHBondContact O-CB 3.39Å; L344-R347 WeakPolarHBondContact O-CG 3.2Å; L344-R347 PolarHBondContact O-N 3.36Å; S345-R347 VanDerWaalsContact C-N 3.26Å; S345-R347 PolarHBondContact O-N 3.43Å; R347-F349 VanDerWaalsContact C-N 3.31Å; R347-F349 PolarHBondContact O-N 2.94Å; R347-Y350 WeakPolarHBondContact O-CB 3.37Å; R347-Y350 PolarHBondContact O-N 3.27Å
348R95.4Very high96.2Very high178 Ų17842.4 Ų42.467%0.67221%0.206SC*.THydrogen-bonded Turntrans-55.4-43.8-170.8179.1-179.2177.1-167-3.2113D341D341-R348 PolarHBondContact OD2-N 2.89Å
349F96.9Very high96.2Very high11 Ų1148.2 Ų48.25%0.04823%0.227CC..THydrogen-bonded Turntrans-100.46-173.4-58.9-67.6000114T332 V333 E337 D341 R347 P352 I353T332-F349 WeakPolarHBondContact OG1-CZ 3.41Å; V333-F349 HydrophobicContact CG2-CB 4.28Å; V333-F349 HydrophobicContact CG2-CD1 3.53Å; V333-F349 HydrophobicContact CG2-CD2 4.16Å; V333-F349 HydrophobicContact CG2-CE1 3.73Å; V333-F349 HydrophobicContact CG2-CE2 4.33Å; V333-F349 HydrophobicContact CG2-CG 3.75Å; V333-F349 HydrophobicContact CG2-CZ 4.12Å; E337-F349 HydrophobicContact CB-CD2 4.06Å; E337-F349 HydrophobicContact CB-CE2 4.45Å; E337-F349 HydrophobicContact CG-CD2 4.34Å; E337-F349 HydrophobicContact CG-CE2 4.43Å; E337-F349 WeakPolarHBondContact OE2-CE2 3.4Å; D341-F349 HydrophobicContact CB-CB 4Å; D341-F349 WeakPolarHBondContact OD2-CB 3.5Å; D341-F349 VanDerWaalsContact OD2-CD2 3.31Å; D341-F349 WeakPolarHBondContact OD2-CD2 3.32Å; D341-F349 PolarHBondContact OD2-N 3.43Å; R347-F349 VanDerWaalsContact C-N 3.31Å; R347-F349 PolarHBondContact O-N 2.94Å; F349-P352 WeakPolarHBondContact O-CD 3.34Å; F349-I353 HydrophobicContact CB-CD1 3.65Å; F349-I353 HydrophobicContact CB-CG1 4.15Å; F349-I353 WeakPolarHBondContact O-CB 3.5Å; F349-I353 WeakPolarHBondContact O-CD1 3.25Å; F349-I353 WeakPolarHBondContact O-CG1 3.49Å; F349-I353 PolarHBondContact O-N 3.43Å
350Y97.6Very high96.3Very high2 Ų248 Ų481%0.00823%0.226CC..Hα-helixtrans-52.3-63.3179.4-177.9-87.7000112Q142 E146 D341 L344 S345 R347 I353 F354Q142-Y350 HydrophobicContact CB-CE2 4.07Å; Q142-Y350 HydrophobicContact CG-CE2 3.99Å; Q142-Y350 PolarHBondContact OE1-OH 3.39Å; E146-Y350 HydrophobicContact CG-CE1 4.42Å; E146-Y350 WeakPolarHBondContact CG-OH 3.36Å; E146-Y350 PolarHBondContact OE1-OH 3.25Å; E146-Y350 VanDerWaalsContact OE1-OH 3.09Å; D341-Y350 VanDerWaalsContact O-CD2 3.31Å; D341-Y350 WeakPolarHBondContact O-CD2 3.32Å; L344-Y350 VanDerWaalsContact C-CD2 3.46Å; L344-Y350 VanDerWaalsContact O-CD2 3.3Å; L344-Y350 WeakPolarHBondContact O-CD2 3.37Å; S345-Y350 VanDerWaalsContact CA-CD2 3.44Å; R347-Y350 WeakPolarHBondContact O-CB 3.37Å; R347-Y350 PolarHBondContact O-N 3.27Å; Y350-I353 PolarHBondContact O-N 3.04Å; Y350-F354 AromaticContact CD1-CD2 3.98Å; Y350-F354 HydrophobicContact CD1-CD2 3.98Å; Y350-F354 AromaticContact CD2-CD2 3.77Å; Y350-F354 HydrophobicContact CD2-CD2 3.77Å; Y350-F354 AromaticContact CD2-CE2 3.76Å; Y350-F354 HydrophobicContact CD2-CE2 3.76Å; Y350-F354 AromaticContact CE1-CD2 3.71Å; Y350-F354 HydrophobicContact CE1-CD2 3.71Å; Y350-F354 HydrophobicContact CE1-CE2 4.25Å; Y350-F354 AromaticContact CE2-CD2 3.57Å; Y350-F354 HydrophobicContact CE2-CD2 3.57Å; Y350-F354 AromaticContact CE2-CE2 3.3Å; Y350-F354 HydrophobicContact CE2-CE2 3.3Å; Y350-F354 HydrophobicContact CE2-CZ 4.5Å; Y350-F354 AromaticContact CG-CD2 4Å; Y350-F354 HydrophobicContact CG-CD2 4Å; Y350-F354 HydrophobicContact CG-CE2 4.45Å; Y350-F354 AromaticContact CZ-CD2 3.51Å; Y350-F354 AromaticContact CZ-CE2 3.57Å; Y350-F354 WeakPolarHBondContact O-CB 3.33Å; Y350-F354 PolarHBondContact O-N 3.47Å
351H96.6Very high96.4Very high104 Ų10447.4 Ų47.448%0.48122%0.222SC..Hα-helixtrans-67.3-40.4-177.1-63.8-64000114.1I353 R355H351-I353 VanDerWaalsContact C-N 3.35Å; H351-I353 PolarHBondContact O-N 3.03Å; H351-R355 VanDerWaalsContact O-CB 3.27Å; H351-R355 WeakPolarHBondContact O-CB 3.36Å; H351-R355 VanDerWaalsContact O-CG 3.22Å; H351-R355 WeakPolarHBondContact O-CG 3.41Å; H351-R355 PolarHBondContact O-N 3.38Å; H351-R355 PolarHBondContact O-NE 3.33Å
352P96.6Very high96.4Very high48 Ų4854.6 Ų54.631%0.31225%0.249SC..Hα-helixtrans-56.7-44.9173.5-28.335.1000113.6F349F349-P352 WeakPolarHBondContact O-CD 3.34Å
353I97.5Very high96.3Very high0 Ų057.9 Ų57.90%026%0.263CS..Hα-helixtrans-73-48.9-178.9-58.4161.9000110.1L298 L330 M338 L342 F349 Y350 H351 R355 C356 I357L298-I353 HydrophobicContact CD2-CG2 4.24Å; L330-I353 HydrophobicContact CD1-CB 4.44Å; L330-I353 HydrophobicContact CD1-CG1 3.66Å; L330-I353 HydrophobicContact CD1-CG2 4.49Å; M338-I353 HydrophobicContact SD-CD1 4.46Å; M338-I353 HydrophobicContact SD-CG2 4.28Å; L342-I353 HydrophobicContact CD1-CG2 4.02Å; L342-I353 HydrophobicContact CD2-CB 3.7Å; L342-I353 HydrophobicContact CD2-CD1 4.41Å; L342-I353 HydrophobicContact CD2-CG2 3.6Å; L342-I353 HydrophobicContact CG-CG2 4.12Å; F349-I353 HydrophobicContact CB-CD1 3.65Å; F349-I353 HydrophobicContact CB-CG1 4.15Å; F349-I353 WeakPolarHBondContact O-CB 3.5Å; F349-I353 WeakPolarHBondContact O-CD1 3.25Å; F349-I353 WeakPolarHBondContact O-CG1 3.49Å; F349-I353 PolarHBondContact O-N 3.43Å; Y350-I353 PolarHBondContact O-N 3.04Å; H351-I353 VanDerWaalsContact C-N 3.35Å; H351-I353 PolarHBondContact O-N 3.03Å; I353-R355 PolarHBondContact O-N 3.08Å; I353-C356 WeakPolarHBondContact O-CB 3.35Å; I353-C356 PolarHBondContact O-N 3.16Å; I353-C356 VanDerWaalsContact O-N 3.11Å; I353-I357 HydrophobicContact CG2-CD1 3.83Å; I353-I357 HydrophobicContact CG2-CG1 4.35Å; I353-I357 WeakPolarHBondContact O-CG1 3.19Å; I353-I357 PolarHBondContact O-N 3.38Å
354F96.9Very high96.3Very high0 Ų057.7 Ų57.70%026%0.262CS..Hα-helixtrans-61.6-41-179-92.8-60.1000112.9Q142 M143 E146 L342 Y350 C356 I357 E358Q142-F354 HydrophobicContact CB-CE2 3.95Å; Q142-F354 HydrophobicContact CB-CZ 3.84Å; M143-F354 HydrophobicContact CB-CE1 4.21Å; M143-F354 HydrophobicContact CB-CZ 4.4Å; E146-F354 HydrophobicContact CB-CD1 3.77Å; E146-F354 HydrophobicContact CB-CE1 3.99Å; E146-F354 HydrophobicContact CB-CG 4.22Å; E146-F354 HydrophobicContact CG-CD1 3.95Å; E146-F354 HydrophobicContact CG-CD2 4.08Å; E146-F354 HydrophobicContact CG-CE1 4.14Å; E146-F354 HydrophobicContact CG-CE2 4.25Å; E146-F354 HydrophobicContact CG-CG 3.94Å; E146-F354 HydrophobicContact CG-CZ 4.29Å; L342-F354 HydrophobicContact CB-CE2 3.93Å; L342-F354 HydrophobicContact CB-CZ 4.14Å; L342-F354 HydrophobicContact CD2-CD1 4.32Å; L342-F354 HydrophobicContact CD2-CD2 3.41Å; L342-F354 VanDerWaalsContact CD2-CD2 3.41Å; L342-F354 HydrophobicContact CD2-CE1 4.3Å; L342-F354 HydrophobicContact CD2-CE2 3.42Å; L342-F354 VanDerWaalsContact CD2-CE2 3.42Å; L342-F354 HydrophobicContact CD2-CG 3.88Å; L342-F354 HydrophobicContact CD2-CZ 3.88Å; L342-F354 HydrophobicContact CG-CE2 4.27Å; Y350-F354 AromaticContact CD1-CD2 3.98Å; Y350-F354 HydrophobicContact CD1-CD2 3.98Å; Y350-F354 AromaticContact CD2-CD2 3.77Å; Y350-F354 HydrophobicContact CD2-CD2 3.77Å; Y350-F354 AromaticContact CD2-CE2 3.76Å; Y350-F354 HydrophobicContact CD2-CE2 3.76Å; Y350-F354 AromaticContact CE1-CD2 3.71Å; Y350-F354 HydrophobicContact CE1-CD2 3.71Å; Y350-F354 HydrophobicContact CE1-CE2 4.25Å; Y350-F354 AromaticContact CE2-CD2 3.57Å; Y350-F354 HydrophobicContact CE2-CD2 3.57Å; Y350-F354 AromaticContact CE2-CE2 3.3Å; Y350-F354 HydrophobicContact CE2-CE2 3.3Å; Y350-F354 HydrophobicContact CE2-CZ 4.5Å; Y350-F354 AromaticContact CG-CD2 4Å; Y350-F354 HydrophobicContact CG-CD2 4Å; Y350-F354 HydrophobicContact CG-CE2 4.45Å; Y350-F354 AromaticContact CZ-CD2 3.51Å; Y350-F354 AromaticContact CZ-CE2 3.57Å; Y350-F354 WeakPolarHBondContact O-CB 3.33Å; Y350-F354 PolarHBondContact O-N 3.47Å; F354-C356 PolarHBondContact O-N 2.92Å; F354-I357 CarbonylContact O-C 3.58Å; F354-I357 PolarHBondContact O-N 3.02Å; F354-I357 VanDerWaalsContact O-N 3.07Å; F354-E358 VanDerWaalsContact O-CB 3.25Å; F354-E358 WeakPolarHBondContact O-CB 3.32Å; F354-E358 PolarHBondContact O-N 3.46Å
355R96.4Very high96.2Very high163 Ų16357.9 Ų57.962%0.61526%0.263SS*.Hα-helixtrans-58.3-36.1175.4-76.5-173.9-64.3178-1.1112.9H351 I353 R359H351-R355 VanDerWaalsContact O-CB 3.27Å; H351-R355 WeakPolarHBondContact O-CB 3.36Å; H351-R355 VanDerWaalsContact O-CG 3.22Å; H351-R355 WeakPolarHBondContact O-CG 3.41Å; H351-R355 PolarHBondContact O-N 3.38Å; H351-R355 PolarHBondContact O-NE 3.33Å; I353-R355 PolarHBondContact O-N 3.08Å; R355-R359 VanDerWaalsContact O-CB 3.23Å; R355-R359 WeakPolarHBondContact O-CB 3.26Å; R355-R359 PolarHBondContact O-N 2.85Å
356C96.6Very high95.8Very high20 Ų2059.9 Ų59.914%0.13527%0.272CS..Hα-helixtrans-68.1-46.9174.4-76.50000111.5L298 I353 F354 E360L298-C356 HydrophobicContact CD2-CB 3.96Å; L298-C356 HydrophobicContact CG-CB 4.49Å; I353-C356 WeakPolarHBondContact O-CB 3.35Å; I353-C356 PolarHBondContact O-N 3.16Å; I353-C356 VanDerWaalsContact O-N 3.11Å; F354-C356 PolarHBondContact O-N 2.92Å; C356-E360 PolarHBondContact O-N 3.33Å
357I98Very high94.5Very high0 Ų058.8 Ų58.80%026%0.259CS..Hα-helixtrans-62.4-51.9179.5-63.2173.1000110.3L147 I236 M238 L298 L342 I353 F354 R359 E360 F361L147-I357 HydrophobicContact CD1-CG2 4.08Å; L147-I357 HydrophobicContact CD2-CG2 4.09Å; I236-I357 HydrophobicContact CD1-CG2 4.12Å; M238-I357 HydrophobicContact SD-CD1 3.77Å; L298-I357 HydrophobicContact CD2-CD1 4.39Å; L298-I357 HydrophobicContact CD2-CG1 3.63Å; L342-I357 HydrophobicContact CD1-CD1 4.01Å; I353-I357 HydrophobicContact CG2-CD1 3.83Å; I353-I357 HydrophobicContact CG2-CG1 4.35Å; I353-I357 WeakPolarHBondContact O-CG1 3.19Å; I353-I357 PolarHBondContact O-N 3.38Å; F354-I357 CarbonylContact O-C 3.58Å; F354-I357 PolarHBondContact O-N 3.02Å; F354-I357 VanDerWaalsContact O-N 3.07Å; I357-R359 PolarHBondContact O-N 3.39Å; I357-E360 PolarHBondContact O-N 3.4Å; I357-F361 WeakPolarHBondContact O-CB 3.37Å; I357-F361 PolarHBondContact O-N 3.03Å
358E97.3Very high92.6Very high44 Ų4458 Ų5821%0.20626%0.262CS..Hα-helixtrans-58-47.7-178.5-174.8-168.6-168.900111.8L147 F354 E360 F361 R362L147-E358 HydrophobicContact CD2-CB 3.87Å; L147-E358 HydrophobicContact CD2-CG 4.23Å; F354-E358 VanDerWaalsContact O-CB 3.25Å; F354-E358 WeakPolarHBondContact O-CB 3.32Å; F354-E358 PolarHBondContact O-N 3.46Å; E358-E360 PolarHBondContact O-N 2.87Å; E358-F361 PolarHBondContact O-N 3.31Å; E358-R362 WeakPolarHBondContact O-CG 3.29Å; E358-R362 PolarHBondContact O-N 3.2Å; E358-R362 IonicContact OE1-CZ 3.25Å; E358-R362 VanDerWaalsContact OE1-CZ 3.25Å; E358-R362 IonicContact OE1-NE 3.46Å; E358-R362 PolarHBondContact OE1-NE 2.92Å; E358-R362 IonicContact OE1-NH2 2.71Å; E358-R362 PolarHBondContact OE1-NH2 3.48Å
359R96.9Very high89.7Confident121 Ų12158.5 Ų58.546%0.45728%0.278SS..Hα-helixtrans-59.3-46.3178.4-178-179.168.1-173.8-7.2112H328 R355 I357 K363H328-R359 PolarHBondContact CE1-NH2 2.9Å; H328-R359 PolarHBondContact ND1-NH2 2.91Å; R355-R359 VanDerWaalsContact O-CB 3.23Å; R355-R359 WeakPolarHBondContact O-CB 3.26Å; R355-R359 PolarHBondContact O-N 2.85Å; I357-R359 PolarHBondContact O-N 3.39Å; R359-K363 WeakPolarHBondContact O-CG 3.42Å; R359-K363 PolarHBondContact O-N 3.43Å
360E97.5Very high89.3Confident3 Ų360.9 Ų60.91%0.01429%0.29CS..Hα-helixtrans-75.3-36.3-179.2-64.5-61.8132.900111.5R294 V296 S326 H328 C356 I357 E358 R362 K363 L364R294-E360 IonicContact CZ-OE2 2.64Å; R294-E360 IonicContact NE-OE2 3.45Å; R294-E360 IonicContact NH2-OE2 3.54Å; R294-E360 PolarHBondContact NH2-OE2 3.21Å; V296-E360 HydrophobicContact CB-CB 4.46Å; V296-E360 HydrophobicContact CG1-CB 3.79Å; V296-E360 HydrophobicContact CG1-CG 3.67Å; V296-E360 HydrophobicContact CG2-CB 3.93Å; V296-E360 HydrophobicContact CG2-CG 4.3Å; S326-E360 PolarHBondContact OG-OE2 2.89Å; H328-E360 IonicContact CE1-OE1 2.84Å; H328-E360 IonicContact NE2-OE1 3.47Å; C356-E360 PolarHBondContact O-N 3.33Å; I357-E360 PolarHBondContact O-N 3.4Å; E358-E360 PolarHBondContact O-N 2.87Å; E360-R362 PolarHBondContact O-N 2.9Å; E360-K363 WeakPolarHBondContact O-CB 3.5Å; E360-K363 PolarHBondContact O-N 3.27Å; E360-K363 VanDerWaalsContact O-N 3.17Å; E360-K363 IonicContact OE1-NZ 2.62Å; E360-K363 PolarHBondContact OE1-NZ 3.28Å; E360-L364 VanDerWaalsContact O-CG 3.27Å; E360-L364 WeakPolarHBondContact O-CG 3.23Å; E360-L364 PolarHBondContact O-N 3.35Å
361F97.6Very high88.9Confident4 Ų464 Ų642%0.01830%0.304CS..Hα-helixtrans-55.5-49.7173.6179.6-102.5000111.5P118 V120 L147 A149 V193 I236 I357 E358 K363 L364 L365P118-F361 HydrophobicContact CB-CZ 3.98Å; P118-F361 HydrophobicContact CG-CE1 4.02Å; P118-F361 HydrophobicContact CG-CZ 3.68Å; V120-F361 HydrophobicContact CG2-CD2 4.16Å; V120-F361 HydrophobicContact CG2-CE2 3.45Å; V120-F361 VanDerWaalsContact CG2-CE2 3.45Å; V120-F361 HydrophobicContact CG2-CZ 4Å; L147-F361 HydrophobicContact CB-CD1 4.01Å; L147-F361 HydrophobicContact CB-CE1 3.92Å; L147-F361 HydrophobicContact CB-CZ 4.43Å; L147-F361 HydrophobicContact CD1-CD1 4.4Å; L147-F361 HydrophobicContact CD1-CD2 4.18Å; L147-F361 HydrophobicContact CD1-CE2 4.48Å; L147-F361 HydrophobicContact CD1-CG 4.14Å; L147-F361 HydrophobicContact CD2-CB 4.18Å; L147-F361 HydrophobicContact CD2-CD1 4.15Å; L147-F361 HydrophobicContact CD2-CG 4.22Å; L147-F361 HydrophobicContact CG-CD1 4.42Å; L147-F361 WeakPolarHBondContact O-CE1 3.34Å; A149-F361 HydrophobicContact CB-CE1 4.13Å; A149-F361 HydrophobicContact CB-CZ 3.68Å; V193-F361 HydrophobicContact CB-CD2 3.98Å; V193-F361 HydrophobicContact CB-CE2 3.85Å; V193-F361 HydrophobicContact CG1-CD2 4.14Å; V193-F361 HydrophobicContact CG1-CE2 4.5Å; V193-F361 HydrophobicContact CG2-CD2 3.75Å; V193-F361 HydrophobicContact CG2-CE2 3.63Å; I236-F361 HydrophobicContact CD1-CB 4.46Å; I357-F361 WeakPolarHBondContact O-CB 3.37Å; I357-F361 PolarHBondContact O-N 3.03Å; E358-F361 PolarHBondContact O-N 3.31Å; F361-K363 VanDerWaalsContact C-N 3.34Å; F361-K363 PolarHBondContact O-N 3.39Å; F361-L364 WeakPolarHBondContact O-CB 3.3Å; F361-L364 PolarHBondContact O-N 2.96Å; F361-L365 HydrophobicContact CD1-CD1 4.12Å; F361-L365 HydrophobicContact CE1-CD1 3.55Å; F361-L365 HydrophobicContact CE2-CD1 4.43Å; F361-L365 HydrophobicContact CZ-CD1 3.74Å; F361-L365 HydrophobicContact CZ-CG 4.48Å; F361-L365 WeakPolarHBondContact O-CG 3.38Å; F361-L365 PolarHBondContact O-N 3.42Å
362R95.9Very high88.4Confident155 Ų15561.8 Ų61.859%0.58530%0.295SS*.Hα-helixtrans-60.5-40.9176.4-68.9177.1-175.3-155.51.9112.4E358 E360 L365 V366E358-R362 WeakPolarHBondContact O-CG 3.29Å; E358-R362 PolarHBondContact O-N 3.2Å; E358-R362 IonicContact OE1-CZ 3.25Å; E358-R362 VanDerWaalsContact OE1-CZ 3.25Å; E358-R362 IonicContact OE1-NE 3.46Å; E358-R362 PolarHBondContact OE1-NE 2.92Å; E358-R362 IonicContact OE1-NH2 2.71Å; E358-R362 PolarHBondContact OE1-NH2 3.48Å; E360-R362 PolarHBondContact O-N 2.9Å; R362-L365 PolarHBondContact O-N 3.17Å; R362-V366 WeakPolarHBondContact O-CG2 2.91Å; R362-V366 PolarHBondContact O-N 3.31Å
363K95.7Very high88Confident70 Ų7062.6 Ų62.630%0.30429%0.294SS..Hα-helixtrans-62.1-42.9175.8-71.4174.7-173.1172.30112.2R359 E360 F361 L365 V366 E367R359-K363 WeakPolarHBondContact O-CG 3.42Å; R359-K363 PolarHBondContact O-N 3.43Å; E360-K363 WeakPolarHBondContact O-CB 3.5Å; E360-K363 PolarHBondContact O-N 3.27Å; E360-K363 VanDerWaalsContact O-N 3.17Å; E360-K363 IonicContact OE1-NZ 2.62Å; E360-K363 PolarHBondContact OE1-NZ 3.28Å; F361-K363 VanDerWaalsContact C-N 3.34Å; F361-K363 PolarHBondContact O-N 3.39Å; K363-L365 PolarHBondContact O-N 2.97Å; K363-V366 PolarHBondContact O-N 3.44Å; K363-E367 WeakPolarHBondContact O-CB 3.22Å; K363-E367 WeakPolarHBondContact O-CG 3.21Å; K363-E367 PolarHBondContact O-N 3.24Å
364L95.6Very high87.4Confident2 Ų266.5 Ų66.51%0.0131%0.312CS..Hα-helixtrans-59.4-37179.1-67.7173000111.7V193 R233 I236 R294 V296 E360 F361 S368V193-L364 HydrophobicContact CG1-CD1 3.84Å; V193-L364 HydrophobicContact CG2-CB 4.36Å; V193-L364 HydrophobicContact CG2-CD1 4.19Å; R233-L364 HydrophobicContact CB-CB 4.3Å; R233-L364 WeakPolarHBondContact O-CD2 3.39Å; I236-L364 HydrophobicContact CD1-CD1 4.25Å; I236-L364 HydrophobicContact CG1-CD1 4.08Å; R294-L364 HydrophobicContact CB-CD2 3.6Å; R294-L364 HydrophobicContact CG-CD2 3.68Å; V296-L364 HydrophobicContact CG2-CD1 4.41Å; E360-L364 VanDerWaalsContact O-CG 3.27Å; E360-L364 WeakPolarHBondContact O-CG 3.23Å; E360-L364 PolarHBondContact O-N 3.35Å; F361-L364 WeakPolarHBondContact O-CB 3.3Å; F361-L364 PolarHBondContact O-N 2.96Å; L364-S368 PolarHBondContact O-OG 3.06Å
365L92.4Very high86.7Confident38 Ų3870.9 Ų70.920%0.19933%0.333CS..Hα-helixtrans-75.7-32.4179.3-62.4179.6000113.3P118 N191 V193 R233 F361 R362 K363P118-L365 HydrophobicContact CB-CD1 3.79Å; P118-L365 HydrophobicContact CB-CD2 3.95Å; P118-L365 HydrophobicContact CG-CD1 3.65Å; N191-L365 HydrophobicContact CB-CD2 3.95Å; V193-L365 HydrophobicContact CG2-CD2 4.4Å; R233-L365 HydrophobicContact CG-CD2 4.24Å; F361-L365 HydrophobicContact CD1-CD1 4.12Å; F361-L365 HydrophobicContact CE1-CD1 3.55Å; F361-L365 HydrophobicContact CE2-CD1 4.43Å; F361-L365 HydrophobicContact CZ-CD1 3.74Å; F361-L365 HydrophobicContact CZ-CG 4.48Å; F361-L365 WeakPolarHBondContact O-CG 3.38Å; F361-L365 PolarHBondContact O-N 3.42Å; R362-L365 PolarHBondContact O-N 3.17Å; K363-L365 PolarHBondContact O-N 2.97Å
366V85.7Confident86Confident107 Ų10764.4 Ų64.465%0.64831%0.313SS*.Hα-helixtrans-84.7-42.7-176.9175.60000112.8R362 K363 S368R362-V366 WeakPolarHBondContact O-CG2 2.91Å; R362-V366 PolarHBondContact O-N 3.31Å; K363-V366 PolarHBondContact O-N 3.44Å; V366-S368 PolarHBondContact O-N 3.24Å; V366-S368 VanDerWaalsContact O-N 3.13Å
367E66Low85.2Confident105 Ų10567.8 Ų67.849%0.49133%0.326SS..THydrogen-bonded Turntrans-75.22.8-174.4-65.9175.1-175.500113.8R294 K363R294-E367 IonicContact CZ-OE2 3.56Å; R294-E367 IonicContact NH1-OE1 3.11Å; R294-E367 PolarHBondContact NH1-OE1 2.48Å; R294-E367 IonicContact NH1-OE2 3.31Å; R294-E367 PolarHBondContact NH1-OE2 3.47Å; K363-E367 WeakPolarHBondContact O-CB 3.22Å; K363-E367 WeakPolarHBondContact O-CG 3.21Å; K363-E367 PolarHBondContact O-N 3.24Å
368S54.8Low84.2Confident42 Ų4273.4 Ų73.429%0.29435%0.353SS..THydrogen-bonded Turntrans-105.45.5-174.9-55.90000114.5R233 L364 V366R233-S368 VanDerWaalsContact NH1-CB 3.34Å; R233-S368 PolarHBondContact NH1-O 3.48Å; L364-S368 PolarHBondContact O-OG 3.06Å; V366-S368 PolarHBondContact O-N 3.24Å; V366-S368 VanDerWaalsContact O-N 3.13Å
369N34.6Very low83Confident190 Ų19076.1 Ų76.1100%1.01637%0.367SS*.  trans-102.90167.5-71.5-25.2000109.4

Retrieved 369 of 369 residues in 95.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).