A0A093HBF3_STRCA Loading...

Glucose-fructose oxidoreductase domain-containing protein 2

Promotes matrix assembly.

AlphaFold DB , UniProt , Accession A0A093HBF3, Species STRCA (Struthio camelus australis), Gene n/a, Length 385 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
1M50.5Low87.1Confident233 Ų23345.6 Ų45.6100%1.14822%0.221SC*.  0115.60-156.7167.8169.400105.8M3M1-M3 PolarHBondContact O-N 3.04Å
2K57.3Low87.6Confident118 Ų11843.8 Ų43.851%0.51322%0.215SC..PPolyproline II helixtrans-62.2123.3177.9-77.2173.3162.7-171.30107.2D320 Q321K2-D320 PolarHBondContact NZ-O 2.84Å; K2-Q321 VanDerWaalsContact CD-O 3.31Å; K2-Q321 WeakPolarHBondContact CD-O 3.46Å
3M79.3Confident87.7Confident122 Ų12243.3 Ų43.360%0.60123%0.228SC*.PPolyproline II helixtrans-88.3133.4-173.5-62.4-143.9-63.900109.6M1 R324M1-M3 PolarHBondContact O-N 3.04Å; M3-R324 VanDerWaalsContact CE-CZ 3.44Å
4L92.3Very high87.8Confident25 Ų2542.9 Ų42.913%0.13123%0.231CC..PPolyproline II helixtrans-59.5158169.7-69.1173.6000110.2G6 E26 F28 R315 F318L4-G6 PolarHBondContact O-N 2.97Å; L4-E26 WeakPolarHBondContact CD1-O 3.5Å; L4-F28 HydrophobicContact CB-CD1 4.1Å; L4-F28 HydrophobicContact CB-CE1 4.29Å; L4-F28 HydrophobicContact CD1-CD1 4.38Å; L4-F28 HydrophobicContact CD1-CD2 4.29Å; L4-F28 HydrophobicContact CD1-CE1 4.47Å; L4-F28 HydrophobicContact CD1-CE2 4.4Å; L4-F28 HydrophobicContact CD1-CG 4.29Å; L4-F28 HydrophobicContact CD1-CZ 4.47Å; L4-F28 HydrophobicContact CD2-CE1 4.48Å; L4-R315 HydrophobicContact CD1-CG 4.42Å; L4-F318 HydrophobicContact CD2-CB 3.66Å
5P94.6Very high87.9Confident0 Ų042.7 Ų42.70%023%0.232CC..PPolyproline II helixtrans-58.9138.9173.724.8-34.8000110.8F28 D67 L68 F318 R324P5-F28 HydrophobicContact CG-CD1 4.17Å; P5-F28 HydrophobicContact CG-CE1 3.81Å; P5-D67 HydrophobicContact CB-CB 3.63Å; P5-L68 HydrophobicContact CB-CB 4.17Å; P5-L68 HydrophobicContact CG-CB 4.3Å; P5-F318 HydrophobicContact CB-CE1 4.48Å; P5-F318 HydrophobicContact CG-CB 4.45Å; P5-F318 HydrophobicContact CG-CD1 3.72Å; P5-F318 HydrophobicContact CG-CD2 3.88Å; P5-F318 HydrophobicContact CG-CE1 3.81Å; P5-F318 HydrophobicContact CG-CE2 3.99Å; P5-F318 HydrophobicContact CG-CG 3.76Å; P5-F318 HydrophobicContact CG-CZ 3.96Å; P5-R324 WeakPolarHBondContact CB-O 3.26Å
6G96.4Very high88.2Confident0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-71.2142.3166.700000110.1L4 S29 D65 V66 D67 L68L4-G6 PolarHBondContact O-N 2.97Å; G6-S29 WeakPolarHBondContact CA-OG 3.36Å; G6-D65 WeakPolarHBondContact CA-O 3.44Å; G6-V66 CarbonylContact O-C 3.16Å; G6-D67 PolarHBondContact O-N 2.84Å; G6-L68 PolarHBondContact O-N 3.09Å; G6-L68 VanDerWaalsContact O-N 3.17Å
7V98.1Very high88.4Confident0 Ų041.3 Ų41.30%022%0.218CC..EExtended strand (participates in β ladder)trans-109.8127.9-170.2-173.30000111.2V9 L23 F28 S29 I30 E31 L68 C70V7-V9 HydrophobicContact CG1-CG2 4.01Å; V7-L23 HydrophobicContact CG1-CD1 4.04Å; V7-F28 HydrophobicContact CG2-CB 3.94Å; V7-F28 HydrophobicContact CG2-CD1 3.78Å; V7-F28 HydrophobicContact CG2-CG 4.18Å; V7-S29 PolarHBondContact N-O 2.62Å; V7-I30 HydrophobicContact CB-CD1 3.93Å; V7-I30 HydrophobicContact CG1-CD1 4.36Å; V7-E31 PolarHBondContact O-N 3.5Å; V7-L68 CarbonylContact C-O 3.55Å; V7-L68 VanDerWaalsContact CA-O 3.3Å; V7-L68 WeakPolarHBondContact CA-O 3.41Å; V7-L68 HydrophobicContact CG2-CB 4.45Å; V7-L68 HydrophobicContact CG2-CD2 4.19Å; V7-C70 HydrophobicContact CG1-CB 4.45Å
8G98.3Very high88.5Confident0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-95.5121.6165.400000110.3A32 L68 V69 C70G8-A32 WeakPolarHBondContact CA-O 3.46Å; G8-L68 PolarHBondContact N-O 3.2Å; G8-V69 CarbonylContact O-C 3.58Å; G8-V69 VanDerWaalsContact O-CA 3.27Å; G8-V69 WeakPolarHBondContact O-CA 3.07Å; G8-C70 PolarHBondContact O-N 3.3Å
9V98.3Very high88.7Confident0 Ų037.4 Ų37.40%020%0.198CC..EExtended strand (participates in β ladder)trans-104.3124.2-179.2179.30000109.7V7 A16 V20 I30 A32 L33 W34V7-V9 HydrophobicContact CG1-CG2 4.01Å; V9-A16 HydrophobicContact CG1-CB 4.23Å; V9-V20 HydrophobicContact CB-CG2 4.49Å; V9-V20 HydrophobicContact CG1-CG2 4.3Å; V9-V20 HydrophobicContact CG2-CG2 3.98Å; V9-I30 HydrophobicContact CG2-CD1 4.35Å; V9-I30 HydrophobicContact CG2-CG2 4.15Å; V9-A32 PolarHBondContact N-O 3.16Å; V9-L33 HydrophobicContact CB-CD1 3.96Å; V9-L33 HydrophobicContact CG1-CD1 3.97Å; V9-L33 WeakPolarHBondContact O-CA 3.06Å; V9-W34 PolarHBondContact O-N 3.04Å
10F98Very high89Confident0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-102.5118.4172.4-68.8-99.6000109.9W34 T57 V60 L61 V69 C70 I71 N72 I73 I81F10-W34 HydrophobicContact CB-CB 4.44Å; F10-W34 HydrophobicContact CB-CE3 4.19Å; F10-W34 HydrophobicContact CD1-CB 3.39Å; F10-W34 AromaticContact CD1-CD2 3.62Å; F10-W34 HydrophobicContact CD1-CD2 3.62Å; F10-W34 AromaticContact CD1-CE3 3.89Å; F10-W34 HydrophobicContact CD1-CE3 3.89Å; F10-W34 AromaticContact CD1-CG 3.42Å; F10-W34 HydrophobicContact CD1-CG 3.42Å; F10-W34 VanDerWaalsContact CD1-CG 3.42Å; F10-W34 HydrophobicContact CE1-CB 3.7Å; F10-W34 HydrophobicContact CE1-CD2 4.23Å; F10-W34 AromaticContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CG-CB 3.99Å; F10-W34 HydrophobicContact CG-CG 4.4Å; F10-T57 HydrophobicContact CE1-CG2 3.88Å; F10-T57 HydrophobicContact CZ-CG2 4.32Å; F10-V60 HydrophobicContact CD2-CG1 4.47Å; F10-V60 HydrophobicContact CE1-CB 4.27Å; F10-V60 HydrophobicContact CE1-CG1 4.39Å; F10-V60 HydrophobicContact CE2-CB 4.28Å; F10-V60 HydrophobicContact CE2-CG1 3.57Å; F10-V60 HydrophobicContact CZ-CB 3.69Å; F10-V60 HydrophobicContact CZ-CG1 3.52Å; F10-L61 HydrophobicContact CE2-CD2 3.89Å; F10-L61 HydrophobicContact CZ-CD2 3.67Å; F10-L61 HydrophobicContact CZ-CG 3.98Å; F10-V69 HydrophobicContact CD2-CB 4.35Å; F10-V69 HydrophobicContact CE2-CB 4.1Å; F10-V69 HydrophobicContact CE2-CG1 3.98Å; F10-C70 PolarHBondContact N-O 3.42Å; F10-I71 HydrophobicContact CB-CG1 4.48Å; F10-I71 HydrophobicContact CB-CG2 4.44Å; F10-I71 HydrophobicContact CD2-CG1 4.17Å; F10-N72 CarbonylContact O-C 3.57Å; F10-N72 WeakPolarHBondContact O-CA 3.26Å; F10-N72 PolarHBondContact O-N 2.63Å; F10-I73 VanDerWaalsContact C-CG2 3.46Å; F10-I73 HydrophobicContact CB-CG2 3.89Å; F10-I73 WeakPolarHBondContact O-CG2 3.43Å; F10-I81 HydrophobicContact CD1-CD1 3.45Å; F10-I81 VanDerWaalsContact CD1-CD1 3.45Å; F10-I81 HydrophobicContact CD1-CG2 3.89Å; F10-I81 HydrophobicContact CD2-CG2 4.09Å; F10-I81 HydrophobicContact CE1-CD1 3.82Å; F10-I81 HydrophobicContact CE1-CG2 3.72Å; F10-I81 HydrophobicContact CE2-CG2 3.91Å; F10-I81 HydrophobicContact CG-CD1 4.2Å; F10-I81 HydrophobicContact CG-CG2 4.08Å; F10-I81 HydrophobicContact CZ-CG2 3.73Å
11G94.7Very high89.2Confident4 Ų435.6 Ų35.64%0.04119%0.19CC..  trans118.2145.5176.100000112.7A16 W34G11-A16 WeakPolarHBondContact O-CB 3.49Å; G11-W34 PolarHBondContact N-O 2.76Å
12T93.6Very high91.3Very high23 Ų2325.3 Ų25.314%0.14114%0.14CC..  trans-118.813.5-175.352.50000112.5R17 E40 L44T12-R17 PolarHBondContact O-NH1 3.28Å; T12-E40 HydrophobicContact CG2-CB 4.24Å; T12-E40 WeakPolarHBondContact CG2-O 3.42Å; T12-E40 PolarHBondContact OG1-OE2 2.79Å; T12-L44 HydrophobicContact CG2-CB 4.32Å; T12-L44 HydrophobicContact CG2-CD2 4.13Å
13G89.3Confident93.1Very high38 Ų3819.7 Ų19.739%0.39212%0.115SC..SBendtrans-82.6-173.7-177.900000114.5T15 A16 R17G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.46Å; G13-A16 PolarHBondContact O-N 3.42Å; G13-A16 VanDerWaalsContact O-N 3.17Å; G13-R17 PolarHBondContact O-N 3.45Å; G13-R17 VanDerWaalsContact O-N 3.11Å
14S88Confident93.9Very high38 Ų3818.3 Ų18.327%0.26610%0.104SC..Hα-helixtrans-57.2-39.8-179.3-51.60000112.5A16 R17 V18S14-A16 PolarHBondContact O-N 3.45Å; S14-R17 WeakPolarHBondContact O-CB 3.38Å; S14-R17 PolarHBondContact O-N 3.24Å; S14-R17 VanDerWaalsContact O-N 3.15Å; S14-V18 WeakPolarHBondContact O-CG2 3.15Å; S14-V18 PolarHBondContact O-N 2.84Å; S14-V18 VanDerWaalsContact O-N 3.11Å
15T90.2Very high93.9Very high40 Ų4021 Ų2125%0.24513%0.129CC..Hα-helixtrans-59.8-44.6176.4-52.10000112.4G13 R17 V18 L19 N72 M307G13-T15 VanDerWaalsContact C-N 3.3Å; G13-T15 PolarHBondContact O-N 3.46Å; T15-R17 VanDerWaalsContact C-N 3.3Å; T15-R17 PolarHBondContact O-N 3.39Å; T15-V18 PolarHBondContact O-N 3.45Å; T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.14Å; T15-L19 PolarHBondContact O-N 3.27Å; T15-N72 HydrophobicContact CG2-CB 4.13Å; T15-M307 HydrophobicContact CG2-CE 3.94Å
16A92.1Very high93.8Very high0 Ų023.1 Ų23.10%014%0.139CC..Hα-helixtrans-64.9-37.2176.800000111.6V9 G11 G13 S14 V18 L19 V20 L44V9-A16 HydrophobicContact CG1-CB 4.23Å; G11-A16 WeakPolarHBondContact O-CB 3.49Å; G13-A16 PolarHBondContact O-N 3.42Å; G13-A16 VanDerWaalsContact O-N 3.17Å; S14-A16 PolarHBondContact O-N 3.45Å; A16-V18 PolarHBondContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 2.81Å; A16-V20 PolarHBondContact O-N 3.05Å; A16-V20 VanDerWaalsContact O-N 3.09Å; A16-L44 HydrophobicContact CB-CD2 4.2Å
17R91.3Very high93.7Very high61 Ų6125.3 Ų25.323%0.2316%0.162CC..Hα-helixtrans-61.6-28175.3-75.7-171.5177.678.44.8113.7T12 G13 S14 T15 P21 L44 E47 M48T12-R17 PolarHBondContact O-NH1 3.28Å; G13-R17 PolarHBondContact O-N 3.45Å; G13-R17 VanDerWaalsContact O-N 3.11Å; S14-R17 WeakPolarHBondContact O-CB 3.38Å; S14-R17 PolarHBondContact O-N 3.24Å; S14-R17 VanDerWaalsContact O-N 3.15Å; T15-R17 VanDerWaalsContact C-N 3.3Å; T15-R17 PolarHBondContact O-N 3.39Å; R17-P21 VanDerWaalsContact O-CD 3.28Å; R17-P21 WeakPolarHBondContact O-CD 3.49Å; R17-P21 WeakPolarHBondContact O-CG 3.33Å; R17-L44 HydrophobicContact CG-CD1 3.67Å; R17-E47 IonicContact CZ-OE2 3.23Å; R17-E47 IonicContact NE-OE2 2.77Å; R17-E47 PolarHBondContact NE-OE2 3.02Å; R17-E47 IonicContact NH2-OE1 3.77Å; R17-E47 IonicContact NH2-OE2 2.97Å; R17-E47 PolarHBondContact NH2-OE2 3.26Å; R17-M48 VanDerWaalsContact CA-CE 3.47Å; R17-M48 HydrophobicContact CB-CE 4.2Å; R17-M48 HydrophobicContact CG-CE 4.23Å; R17-M48 WeakPolarHBondContact O-CE 3.48Å
18V90.2Very high93.6Very high0 Ų025.5 Ų25.50%016%0.163CC..Hα-helixtrans-86.9-46.4174.5175.20000111.4S14 T15 A16 P21 L22 F296 I299 L304 M307S14-V18 WeakPolarHBondContact O-CG2 3.15Å; S14-V18 PolarHBondContact O-N 2.84Å; S14-V18 VanDerWaalsContact O-N 3.11Å; T15-V18 PolarHBondContact O-N 3.45Å; A16-V18 PolarHBondContact O-N 3.08Å; V18-P21 WeakPolarHBondContact O-CD 3.38Å; V18-L22 HydrophobicContact CG1-CD1 3.8Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 2.8Å; V18-F296 HydrophobicContact CB-CE2 4.33Å; V18-F296 HydrophobicContact CB-CZ 4.24Å; V18-F296 HydrophobicContact CG1-CE1 4.17Å; V18-F296 HydrophobicContact CG1-CE2 4.28Å; V18-F296 HydrophobicContact CG1-CZ 3.7Å; V18-F296 HydrophobicContact CG2-CD1 4.46Å; V18-F296 HydrophobicContact CG2-CD2 3.84Å; V18-F296 HydrophobicContact CG2-CE1 4.2Å; V18-F296 HydrophobicContact CG2-CE2 3.57Å; V18-F296 HydrophobicContact CG2-CG 4.3Å; V18-F296 HydrophobicContact CG2-CZ 3.75Å; V18-I299 HydrophobicContact CG2-CD1 4.04Å; V18-L304 HydrophobicContact CG1-CD2 3.87Å; V18-L304 HydrophobicContact CG2-CD2 4.01Å; V18-M307 HydrophobicContact CB-SD 4.44Å; V18-M307 HydrophobicContact CG1-SD 3.9Å
19L93Very high93.5Very high9 Ų927.7 Ų27.75%0.04718%0.178CC..Hα-helixtrans-67.7-41.4-170.8-177.263.8000112.9T15 A16 L22 L23 C70 N72 V311T15-L19 VanDerWaalsContact O-CB 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.14Å; T15-L19 PolarHBondContact O-N 3.27Å; A16-L19 PolarHBondContact O-N 2.81Å; L19-L22 PolarHBondContact O-N 2.94Å; L19-L23 HydrophobicContact CD1-CD1 4.16Å; L19-L23 HydrophobicContact CD1-CG 4.04Å; L19-L23 HydrophobicContact CD2-CD1 4.18Å; L19-L23 HydrophobicContact CG-CD1 3.71Å; L19-L23 HydrophobicContact CG-CG 4.11Å; L19-L23 WeakPolarHBondContact O-CB 2.92Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.07Å; L19-C70 HydrophobicContact CD2-CB 3.77Å; L19-N72 WeakPolarHBondContact CD2-ND2 3.49Å; L19-V311 HydrophobicContact CD1-CG2 3.67Å
20V95.1Very high93.5Very high0 Ų028.4 Ų28.40%018%0.182CC..Hα-helixtrans-58.8-50.9-178.1159.60000112.2V9 A16 L22 L23 R24 I30 M48 I50V9-V20 HydrophobicContact CB-CG2 4.49Å; V9-V20 HydrophobicContact CG1-CG2 4.3Å; V9-V20 HydrophobicContact CG2-CG2 3.98Å; A16-V20 PolarHBondContact O-N 3.05Å; A16-V20 VanDerWaalsContact O-N 3.09Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.65Å; V20-L23 PolarHBondContact O-N 3.29Å; V20-R24 PolarHBondContact O-N 2.94Å; V20-R24 VanDerWaalsContact O-N 3.09Å; V20-I30 HydrophobicContact CG1-CG1 4.11Å; V20-M48 HydrophobicContact CB-CE 4.08Å; V20-M48 HydrophobicContact CB-SD 3.59Å; V20-M48 VanDerWaalsContact CB-SD 3.59Å; V20-M48 HydrophobicContact CG1-CB 4.36Å; V20-M48 HydrophobicContact CG1-CE 4.22Å; V20-M48 HydrophobicContact CG1-CG 4.44Å; V20-M48 HydrophobicContact CG1-SD 3.42Å; V20-M48 WeakPolarHBondContact CG1-SD 3.47Å; V20-M48 HydrophobicContact CG2-SD 4.01Å; V20-I50 HydrophobicContact CG1-CD1 4.35Å; V20-I50 HydrophobicContact CG2-CD1 4.49Å
21P93.3Very high93.5Very high37 Ų3731 Ų3124%0.2419%0.194CC..Hα-helixtrans-59.9-38.1174.4-26.834.2000113.9R17 V18 R24 A25 M48 L291R17-P21 VanDerWaalsContact O-CD 3.28Å; R17-P21 WeakPolarHBondContact O-CD 3.49Å; R17-P21 WeakPolarHBondContact O-CG 3.33Å; V18-P21 WeakPolarHBondContact O-CD 3.38Å; P21-R24 PolarHBondContact O-N 3.28Å; P21-A25 WeakPolarHBondContact O-CB 3.39Å; P21-A25 PolarHBondContact O-N 3.45Å; P21-M48 HydrophobicContact CG-CE 4.04Å; P21-L291 HydrophobicContact CB-CD2 3.38Å; P21-L291 HydrophobicContact CG-CD2 4.02Å
22L93.5Very high93.6Very high16 Ų1630.9 Ų30.98%0.08419%0.192CC..Hα-helixtrans-65.3-46.4178.5-68.4-179.3000111.9V18 L19 V20 R24 A25 E26 L291 M307 V308 V311V18-L22 HydrophobicContact CG1-CD1 3.8Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 WeakPolarHBondContact O-CG 3.49Å; V18-L22 PolarHBondContact O-N 2.8Å; L19-L22 PolarHBondContact O-N 2.94Å; V20-L22 VanDerWaalsContact C-N 3.32Å; V20-L22 PolarHBondContact O-N 2.65Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 3.03Å; L22-A25 PolarHBondContact O-N 2.98Å; L22-E26 PolarHBondContact O-N 3.24Å; L22-L291 HydrophobicContact CD2-CD1 4.39Å; L22-M307 HydrophobicContact CD1-CB 3.92Å; L22-V308 HydrophobicContact CD1-CG2 3.98Å; L22-V308 HydrophobicContact CD2-CG2 3.74Å; L22-V311 HydrophobicContact CB-CG2 4.31Å
23L95.7Very high93.8Very high1 Ų129.8 Ų29.81%0.00519%0.185CC..Hα-helixtrans-57-46.3175.2-77.6168.8000111.3V7 L19 V20 E26 G27 F28 I30 V311 L314V7-L23 HydrophobicContact CG1-CD1 4.04Å; L19-L23 HydrophobicContact CD1-CD1 4.16Å; L19-L23 HydrophobicContact CD1-CG 4.04Å; L19-L23 HydrophobicContact CD2-CD1 4.18Å; L19-L23 HydrophobicContact CG-CD1 3.71Å; L19-L23 HydrophobicContact CG-CG 4.11Å; L19-L23 WeakPolarHBondContact O-CB 2.92Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.07Å; V20-L23 PolarHBondContact O-N 3.29Å; L23-E26 CarbonylContact O-C 3.57Å; L23-E26 PolarHBondContact O-N 2.98Å; L23-G27 PolarHBondContact O-N 3.17Å; L23-G27 VanDerWaalsContact O-N 3.14Å; L23-F28 HydrophobicContact CB-CB 4.06Å; L23-F28 HydrophobicContact CB-CD2 4.43Å; L23-F28 HydrophobicContact CD2-CB 4.28Å; L23-F28 HydrophobicContact CD2-CD2 3.74Å; L23-F28 HydrophobicContact CD2-CE2 4.18Å; L23-F28 HydrophobicContact CD2-CG 3.95Å; L23-F28 WeakPolarHBondContact O-CB 3.4Å; L23-F28 WeakPolarHBondContact O-CD2 3.28Å; L23-F28 PolarHBondContact O-N 2.7Å; L23-I30 HydrophobicContact CB-CD1 3.94Å; L23-I30 HydrophobicContact CD1-CD1 3.84Å; L23-V311 HydrophobicContact CD2-CG1 3.94Å; L23-V311 HydrophobicContact CD2-CG2 4.44Å; L23-V311 HydrophobicContact CG-CG1 4.4Å; L23-L314 HydrophobicContact CD2-CD2 4.06Å
24R95.1Very high94.3Very high93 Ų9329 Ų2935%0.35117%0.17SC..Hα-helixtrans-66-38.7178.1-74.1177.5173.7168.6-6.6113.3V20 P21 L22 E26 G27 I30 M48 N49 I50V20-R24 PolarHBondContact O-N 2.94Å; V20-R24 VanDerWaalsContact O-N 3.09Å; P21-R24 PolarHBondContact O-N 3.28Å; L22-R24 VanDerWaalsContact C-N 3.32Å; L22-R24 PolarHBondContact O-N 3.03Å; R24-E26 PolarHBondContact O-N 3.13Å; R24-G27 WeakPolarHBondContact O-CA 3.04Å; R24-G27 PolarHBondContact O-N 3.32Å; R24-I30 HydrophobicContact CG-CG1 3.98Å; R24-M48 PolarHBondContact NH1-O 3.38Å; R24-M48 PolarHBondContact NH2-O 2.93Å; R24-N49 PolarHBondContact NH2-O 3.19Å; R24-N49 VanDerWaalsContact NH2-O 3.09Å; R24-I50 VanDerWaalsContact NH2-CG1 3.3Å
25A92.8Very high94.7Very high81 Ų8127.2 Ų27.267%0.66916%0.158SC*.Hα-helixtrans-60.6-34.317500000111.4P21 L22 G27P21-A25 WeakPolarHBondContact O-CB 3.39Å; P21-A25 PolarHBondContact O-N 3.45Å; L22-A25 PolarHBondContact O-N 2.98Å; A25-G27 VanDerWaalsContact C-N 3.27Å; A25-G27 PolarHBondContact O-N 2.92Å
26E93.9Very high94.8Very high44 Ų4432.4 Ų32.421%0.20618%0.177CC..THydrogen-bonded Turntrans-8813.3173.4-63.6-60.3150.500113.2L4 L22 L23 R24 F28 V311 Q312 R315L4-E26 WeakPolarHBondContact CD1-O 3.5Å; L22-E26 PolarHBondContact O-N 3.24Å; L23-E26 CarbonylContact O-C 3.57Å; L23-E26 PolarHBondContact O-N 2.98Å; R24-E26 PolarHBondContact O-N 3.13Å; E26-F28 HydrophobicContact CB-CD2 4.22Å; E26-F28 HydrophobicContact CB-CE2 4.31Å; E26-V311 HydrophobicContact CB-CG1 3.87Å; E26-V311 HydrophobicContact CG-CG1 3.73Å; E26-Q312 HydrophobicContact CG-CG 4.35Å; E26-Q312 WeakPolarHBondContact OE1-CG 3.41Å; E26-R315 HydrophobicContact CB-CB 4.32Å; E26-R315 WeakPolarHBondContact O-CD 3.45Å; E26-R315 PolarHBondContact O-NH1 3.4Å; E26-R315 WeakPolarHBondContact OE2-CD 3.23Å; E26-R315 IonicContact OE2-NE 3.82Å
27G94Very high95Very high46 Ų4635.1 Ų35.147%0.47419%0.194SC..THydrogen-bonded Turntrans84.24169.500000116.8L23 R24 A25L23-G27 PolarHBondContact O-N 3.17Å; L23-G27 VanDerWaalsContact O-N 3.14Å; R24-G27 WeakPolarHBondContact O-CA 3.04Å; R24-G27 PolarHBondContact O-N 3.32Å; A25-G27 VanDerWaalsContact C-N 3.27Å; A25-G27 PolarHBondContact O-N 2.92Å
28F95.8Very high95.3Very high5 Ų536.3 Ų36.32%0.02220%0.202CC..  trans-71.5139.6174.2-68.1-90.5000111L4 P5 V7 L23 E26 V311 L314 R315 F318L4-F28 HydrophobicContact CB-CD1 4.1Å; L4-F28 HydrophobicContact CB-CE1 4.29Å; L4-F28 HydrophobicContact CD1-CD1 4.38Å; L4-F28 HydrophobicContact CD1-CD2 4.29Å; L4-F28 HydrophobicContact CD1-CE1 4.47Å; L4-F28 HydrophobicContact CD1-CE2 4.4Å; L4-F28 HydrophobicContact CD1-CG 4.29Å; L4-F28 HydrophobicContact CD1-CZ 4.47Å; L4-F28 HydrophobicContact CD2-CE1 4.48Å; P5-F28 HydrophobicContact CG-CD1 4.17Å; P5-F28 HydrophobicContact CG-CE1 3.81Å; V7-F28 HydrophobicContact CG2-CB 3.94Å; V7-F28 HydrophobicContact CG2-CD1 3.78Å; V7-F28 HydrophobicContact CG2-CG 4.18Å; L23-F28 HydrophobicContact CB-CB 4.06Å; L23-F28 HydrophobicContact CB-CD2 4.43Å; L23-F28 HydrophobicContact CD2-CB 4.28Å; L23-F28 HydrophobicContact CD2-CD2 3.74Å; L23-F28 HydrophobicContact CD2-CE2 4.18Å; L23-F28 HydrophobicContact CD2-CG 3.95Å; L23-F28 WeakPolarHBondContact O-CB 3.4Å; L23-F28 WeakPolarHBondContact O-CD2 3.28Å; L23-F28 PolarHBondContact O-N 2.7Å; E26-F28 HydrophobicContact CB-CD2 4.22Å; E26-F28 HydrophobicContact CB-CE2 4.31Å; F28-V311 HydrophobicContact CE2-CG1 4.4Å; F28-L314 HydrophobicContact CE1-CD2 4.42Å; F28-L314 HydrophobicContact CE1-CG 4.44Å; F28-L314 HydrophobicContact CE2-CD2 4.33Å; F28-L314 HydrophobicContact CE2-CG 4.46Å; F28-L314 HydrophobicContact CZ-CB 4.41Å; F28-L314 HydrophobicContact CZ-CD2 3.94Å; F28-L314 HydrophobicContact CZ-CG 3.8Å; F28-R315 HydrophobicContact CE2-CB 3.93Å; F28-R315 HydrophobicContact CZ-CB 4.3Å; F28-F318 HydrophobicContact CE1-CD2 4.22Å; F28-F318 HydrophobicContact CZ-CD2 4.38Å
29S95.6Very high95.6Very high46 Ų4643.9 Ų43.932%0.32224%0.237SC..  trans-85.8136.6169.256.80000110.2G6 V7 E31G6-S29 WeakPolarHBondContact CA-OG 3.36Å; V7-S29 PolarHBondContact N-O 2.62Å; S29-E31 WeakPolarHBondContact CB-OE1 3.42Å; S29-E31 PolarHBondContact OG-OE1 2.94Å
30I97.8Very high95.7Very high15 Ų1547.1 Ų47.18%0.07725%0.252CS..EExtended strand (participates in β ladder)trans-99.7100.7175.2-52.2-55.5000107V7 V9 V20 L23 R24 I50V7-I30 HydrophobicContact CB-CD1 3.93Å; V7-I30 HydrophobicContact CG1-CD1 4.36Å; V9-I30 HydrophobicContact CG2-CD1 4.35Å; V9-I30 HydrophobicContact CG2-CG2 4.15Å; V20-I30 HydrophobicContact CG1-CG1 4.11Å; L23-I30 HydrophobicContact CB-CD1 3.94Å; L23-I30 HydrophobicContact CD1-CD1 3.84Å; R24-I30 HydrophobicContact CG-CG1 3.98Å; I30-I50 HydrophobicContact CB-CG1 4.45Å; I30-I50 HydrophobicContact CG2-CD1 3.77Å; I30-I50 HydrophobicContact CG2-CG1 4.04Å; I30-I50 HydrophobicContact CG2-CG2 4.2Å
31E97.7Very high95.8Very high55 Ų5547.1 Ų47.126%0.25725%0.252SS..EExtended strand (participates in β ladder)trans-87.4-27.8-170.9-57.4-60.5168.200112.1V7 S29 F52 D65 V66V7-E31 PolarHBondContact O-N 3.5Å; S29-E31 WeakPolarHBondContact CB-OE1 3.42Å; S29-E31 PolarHBondContact OG-OE1 2.94Å; E31-F52 WeakPolarHBondContact O-CB 3.45Å; E31-D65 HydrophobicContact CB-CB 4.36Å; E31-D65 HydrophobicContact CG-CB 3.81Å; E31-V66 HydrophobicContact CB-CG2 3.8Å
32A98Very high96Very high0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-151.6140.9-175.900000112.1G8 V9 F52 V60 V66G8-A32 WeakPolarHBondContact CA-O 3.46Å; V9-A32 PolarHBondContact N-O 3.16Å; A32-F52 WeakPolarHBondContact CA-O 3.17Å; A32-F52 HydrophobicContact CB-CD1 3.66Å; A32-F52 HydrophobicContact CB-CE1 4.26Å; A32-V60 HydrophobicContact CB-CB 4.28Å; A32-V60 HydrophobicContact CB-CG1 3.79Å; A32-V60 HydrophobicContact CB-CG2 4.04Å; A32-V66 HydrophobicContact CB-CG2 3.93Å
33L98.4Very high96.1Very high0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans-120.6126.2173.4-177.770.3000111.1V9 A41 L44 A45 I50 F52 Y53 T54V9-L33 HydrophobicContact CB-CD1 3.96Å; V9-L33 HydrophobicContact CG1-CD1 3.97Å; V9-L33 WeakPolarHBondContact O-CA 3.06Å; L33-A41 WeakPolarHBondContact CD2-O 3.23Å; L33-L44 HydrophobicContact CD1-CD2 4.2Å; L33-L44 HydrophobicContact CD2-CB 3.83Å; L33-L44 HydrophobicContact CD2-CD2 3.98Å; L33-L44 HydrophobicContact CD2-CG 3.85Å; L33-A45 HydrophobicContact CD2-CB 4.04Å; L33-I50 HydrophobicContact CB-CD1 4.16Å; L33-I50 HydrophobicContact CB-CG2 4.17Å; L33-I50 HydrophobicContact CD2-CD1 4.13Å; L33-F52 PolarHBondContact N-O 2.88Å; L33-Y53 WeakPolarHBondContact O-CA 3.49Å; L33-T54 PolarHBondContact O-N 2.9Å
34W98.3Very high96.1Very high22 Ų2253.7 Ų53.78%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-102.2134171.3-17990.2000111.4V9 F10 G11 K36 T54 S55 V60 I73V9-W34 PolarHBondContact O-N 3.04Å; F10-W34 HydrophobicContact CB-CB 4.44Å; F10-W34 HydrophobicContact CB-CE3 4.19Å; F10-W34 HydrophobicContact CD1-CB 3.39Å; F10-W34 AromaticContact CD1-CD2 3.62Å; F10-W34 HydrophobicContact CD1-CD2 3.62Å; F10-W34 AromaticContact CD1-CE3 3.89Å; F10-W34 HydrophobicContact CD1-CE3 3.89Å; F10-W34 AromaticContact CD1-CG 3.42Å; F10-W34 HydrophobicContact CD1-CG 3.42Å; F10-W34 VanDerWaalsContact CD1-CG 3.42Å; F10-W34 HydrophobicContact CE1-CB 3.7Å; F10-W34 HydrophobicContact CE1-CD2 4.23Å; F10-W34 AromaticContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CE1-CG 3.68Å; F10-W34 HydrophobicContact CG-CB 3.99Å; F10-W34 HydrophobicContact CG-CG 4.4Å; G11-W34 PolarHBondContact N-O 2.76Å; W34-K36 HydrophobicContact CH2-CB 4.21Å; W34-T54 WeakPolarHBondContact CA-O 3.3Å; W34-S55 VanDerWaalsContact NE1-C 3.26Å; W34-S55 PolarHBondContact NE1-O 2.83Å; W34-V60 HydrophobicContact CB-CG2 3.91Å; W34-I73 HydrophobicContact CE3-CG2 4Å; W34-I73 HydrophobicContact CZ3-CB 4.47Å; W34-I73 HydrophobicContact CZ3-CG2 3.62Å
35G97Very high96.2Very high0 Ų049.3 Ų49.30%026%0.262CS..  trans-122.7159.916900000111.8T37 T54 S55G35-T37 PolarHBondContact O-N 2.9Å; G35-T54 PolarHBondContact N-O 3.1Å; G35-S55 WeakPolarHBondContact O-CA 3.48Å
36K93.3Very high96.4Very high150 Ų15051.2 Ų51.265%0.65226%0.257SS*.SBendtrans-63.2-34.1177.6-177-178.8177.3-178.10111.4W34W34-K36 HydrophobicContact CH2-CB 4.21Å
37T95.8Very high96.3Very high57 Ų5753.9 Ų53.935%0.3527%0.269SS..SBendtrans-123.2155.3171.669.70000109.7G35 E39 E40 A41G35-T37 PolarHBondContact O-N 2.9Å; T37-E39 PolarHBondContact O-N 3.29Å; T37-E40 PolarHBondContact O-N 3Å; T37-E40 WeakPolarHBondContact OG1-CB 3.35Å; T37-E40 VanDerWaalsContact OG1-CG 3.29Å; T37-E40 WeakPolarHBondContact OG1-CG 3.45Å; T37-E40 PolarHBondContact OG1-N 2.87Å; T37-A41 PolarHBondContact O-N 3.27Å; T37-A41 VanDerWaalsContact O-N 3.07Å
38E96.3Very high96.3Very high86 Ų8652.8 Ų52.840%0.40225%0.252SS..Hα-helixtrans-58.7-36.8177.4-161.869-164.900111.4A41 K42 S55E38-A41 PolarHBondContact O-N 2.84Å; E38-K42 VanDerWaalsContact O-CB 3.25Å; E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 PolarHBondContact O-N 3.12Å; E38-S55 WeakPolarHBondContact OE2-CB 3.47Å; E38-S55 PolarHBondContact OE2-N 2.86Å; E38-S55 PolarHBondContact OE2-OG 2.91Å
39E97.1Very high96.3Very high159 Ų15959.1 Ų59.174%0.74329%0.286SS*.Hα-helixtrans-68.2-44.1179.9-172.4167.4-176.900112.3T37 A41 K42 Q43T37-E39 PolarHBondContact O-N 3.29Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 3.49Å; E39-K42 PolarHBondContact O-N 2.94Å; E39-Q43 WeakPolarHBondContact O-CB 3.26Å; E39-Q43 PolarHBondContact O-N 2.83Å
40E95.3Very high96.4Very high77 Ų7757.3 Ų57.336%0.3627%0.273SS..Hα-helixtrans-62.4-41.2174.5-74.3174.5-172.300111.6T12 T37 L44T12-E40 HydrophobicContact CG2-CB 4.24Å; T12-E40 WeakPolarHBondContact CG2-O 3.42Å; T12-E40 PolarHBondContact OG1-OE2 2.79Å; T37-E40 PolarHBondContact O-N 3Å; T37-E40 WeakPolarHBondContact OG1-CB 3.35Å; T37-E40 VanDerWaalsContact OG1-CG 3.29Å; T37-E40 WeakPolarHBondContact OG1-CG 3.45Å; T37-E40 PolarHBondContact OG1-N 2.87Å; E40-L44 PolarHBondContact O-N 2.81Å
41A97.1Very high96.2Very high0 Ų062.5 Ų62.50%031%0.311CS..Hα-helixtrans-63.9-49.6177.700000110.7L33 T37 E38 E39 Q43 L44 A45 Y53L33-A41 WeakPolarHBondContact CD2-O 3.23Å; T37-A41 PolarHBondContact O-N 3.27Å; T37-A41 VanDerWaalsContact O-N 3.07Å; E38-A41 PolarHBondContact O-N 2.84Å; E39-A41 VanDerWaalsContact C-N 3.32Å; E39-A41 PolarHBondContact O-N 3.49Å; A41-Q43 PolarHBondContact O-N 2.85Å; A41-L44 PolarHBondContact O-N 3.34Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.73Å; A41-Y53 HydrophobicContact CB-CD2 4.2Å
42K97.7Very high96.2Very high90 Ų9063.2 Ų63.239%0.39131%0.313SS..Hα-helixtrans-57.8-48.5178-178.7176.3176-178.30111.8E38 E39 L44 A45 E46 Y53E38-K42 VanDerWaalsContact O-CB 3.25Å; E38-K42 WeakPolarHBondContact O-CB 3.4Å; E38-K42 PolarHBondContact O-N 3.12Å; E39-K42 PolarHBondContact O-N 2.94Å; K42-L44 PolarHBondContact O-N 2.87Å; K42-A45 PolarHBondContact O-N 3.04Å; K42-E46 WeakPolarHBondContact CE-OE1 3.08Å; K42-E46 HydrophobicContact CG-CG 4.41Å; K42-E46 IonicContact NZ-OE1 2.84Å; K42-E46 WeakPolarHBondContact O-CG 3.4Å; K42-E46 PolarHBondContact O-N 2.94Å; K42-Y53 HydrophobicContact CB-CD2 4.01Å; K42-Y53 HydrophobicContact CB-CE1 4.44Å; K42-Y53 HydrophobicContact CB-CE2 3.56Å; K42-Y53 HydrophobicContact CD-CE2 4.47Å; K42-Y53 HydrophobicContact CG-CE1 4.22Å; K42-Y53 HydrophobicContact CG-CE2 3.98Å
43Q96.3Very high96.2Very high101 Ų10166.8 Ų66.847%0.47233%0.327SS..Hα-helixtrans-57.3-51.4-178.1-176.6-172.4-14.500111.3E39 A41 E46 E47E39-Q43 WeakPolarHBondContact O-CB 3.26Å; E39-Q43 PolarHBondContact O-N 2.83Å; A41-Q43 PolarHBondContact O-N 2.85Å; Q43-E46 PolarHBondContact O-N 3.28Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.09Å; Q43-E47 PolarHBondContact NE2-OE1 2.72Å; Q43-E47 WeakPolarHBondContact O-CB 3.27Å; Q43-E47 VanDerWaalsContact O-CG 3.29Å; Q43-E47 WeakPolarHBondContact O-CG 3.3Å; Q43-E47 PolarHBondContact O-N 3.48Å
44L95.2Very high96.2Very high0 Ų067 Ų670%033%0.328CS..Hα-helixtrans-69.9-34.2-179.4-179.163.6000111.9T12 A16 R17 L33 E40 A41 K42 E47 M48T12-L44 HydrophobicContact CG2-CB 4.32Å; T12-L44 HydrophobicContact CG2-CD2 4.13Å; A16-L44 HydrophobicContact CB-CD2 4.2Å; R17-L44 HydrophobicContact CG-CD1 3.67Å; L33-L44 HydrophobicContact CD1-CD2 4.2Å; L33-L44 HydrophobicContact CD2-CB 3.83Å; L33-L44 HydrophobicContact CD2-CD2 3.98Å; L33-L44 HydrophobicContact CD2-CG 3.85Å; E40-L44 PolarHBondContact O-N 2.81Å; A41-L44 PolarHBondContact O-N 3.34Å; K42-L44 PolarHBondContact O-N 2.87Å; L44-E47 HydrophobicContact CD1-CB 4.48Å; L44-E47 PolarHBondContact O-N 2.7Å; L44-M48 HydrophobicContact CD1-CE 3.94Å; L44-M48 HydrophobicContact CD1-CG 3.84Å; L44-M48 HydrophobicContact CD1-SD 3.59Å; L44-M48 VanDerWaalsContact CD1-SD 3.59Å; L44-M48 HydrophobicContact CD2-SD 4.47Å; L44-M48 HydrophobicContact CG-CG 4.38Å; L44-M48 HydrophobicContact CG-SD 3.98Å; L44-M48 VanDerWaalsContact O-CB 3.32Å; L44-M48 WeakPolarHBondContact O-CB 3.47Å; L44-M48 WeakPolarHBondContact O-CG 3.42Å; L44-M48 PolarHBondContact O-N 2.88Å
45A96.8Very high96.2Very high2 Ų268 Ų682%0.01734%0.339CS..Hα-helixtrans-63-42.7175.700000112.1L33 A41 K42 M48 N49 I50 Y53L33-A45 HydrophobicContact CD2-CB 4.04Å; A41-A45 WeakPolarHBondContact O-CB 3.49Å; A41-A45 PolarHBondContact O-N 2.73Å; K42-A45 PolarHBondContact O-N 3.04Å; A45-M48 CarbonylContact O-C 3.47Å; A45-M48 PolarHBondContact O-N 3.39Å; A45-N49 CarbonylContact O-C 3.57Å; A45-N49 WeakPolarHBondContact O-CA 2.98Å; A45-N49 PolarHBondContact O-N 3.01Å; A45-I50 HydrophobicContact CB-CB 4.18Å; A45-I50 PolarHBondContact O-N 3.45Å; A45-Y53 HydrophobicContact CB-CD1 3.5Å; A45-Y53 VanDerWaalsContact CB-CD1 3.5Å; A45-Y53 HydrophobicContact CB-CE1 4.41Å; A45-Y53 HydrophobicContact CB-CG 3.83Å
46E96.3Very high96.2Very high120 Ų12075.7 Ų75.756%0.56137%0.367SS*.Hα-helixtrans-65.4-45.7173.5-72.1177.6174.100111.4K42 Q43 M48 N49K42-E46 WeakPolarHBondContact CE-OE1 3.08Å; K42-E46 HydrophobicContact CG-CG 4.41Å; K42-E46 IonicContact NZ-OE1 2.84Å; K42-E46 WeakPolarHBondContact O-CG 3.4Å; K42-E46 PolarHBondContact O-N 2.94Å; Q43-E46 PolarHBondContact O-N 3.28Å; E46-M48 PolarHBondContact O-N 3.31Å; E46-M48 VanDerWaalsContact O-N 3.16Å; E46-N49 PolarHBondContact O-N 3.33Å
47E93.3Very high96.3Very high101 Ų10170 Ų7047%0.47235%0.345SS..Hα-helixtrans-55.4-33.3175.3-76.7172.4-16500112.3R17 Q43 L44R17-E47 IonicContact CZ-OE2 3.23Å; R17-E47 IonicContact NE-OE2 2.77Å; R17-E47 PolarHBondContact NE-OE2 3.02Å; R17-E47 IonicContact NH2-OE1 3.77Å; R17-E47 IonicContact NH2-OE2 2.97Å; R17-E47 PolarHBondContact NH2-OE2 3.26Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.09Å; Q43-E47 PolarHBondContact NE2-OE1 2.72Å; Q43-E47 WeakPolarHBondContact O-CB 3.27Å; Q43-E47 VanDerWaalsContact O-CG 3.29Å; Q43-E47 WeakPolarHBondContact O-CG 3.3Å; Q43-E47 PolarHBondContact O-N 3.48Å; L44-E47 HydrophobicContact CD1-CB 4.48Å; L44-E47 PolarHBondContact O-N 2.7Å
48M93.5Very high96.4Very high22 Ų2270.8 Ų70.811%0.10835%0.347CS..Hα-helixtrans-110.24.4-173.5-62.8-168.4148.600114R17 V20 P21 R24 L44 A45 E46 I50R17-M48 VanDerWaalsContact CA-CE 3.47Å; R17-M48 HydrophobicContact CB-CE 4.2Å; R17-M48 HydrophobicContact CG-CE 4.23Å; R17-M48 WeakPolarHBondContact O-CE 3.48Å; V20-M48 HydrophobicContact CB-CE 4.08Å; V20-M48 HydrophobicContact CB-SD 3.59Å; V20-M48 VanDerWaalsContact CB-SD 3.59Å; V20-M48 HydrophobicContact CG1-CB 4.36Å; V20-M48 HydrophobicContact CG1-CE 4.22Å; V20-M48 HydrophobicContact CG1-CG 4.44Å; V20-M48 HydrophobicContact CG1-SD 3.42Å; V20-M48 WeakPolarHBondContact CG1-SD 3.47Å; V20-M48 HydrophobicContact CG2-SD 4.01Å; P21-M48 HydrophobicContact CG-CE 4.04Å; R24-M48 PolarHBondContact NH1-O 3.38Å; R24-M48 PolarHBondContact NH2-O 2.93Å; L44-M48 HydrophobicContact CD1-CE 3.94Å; L44-M48 HydrophobicContact CD1-CG 3.84Å; L44-M48 HydrophobicContact CD1-SD 3.59Å; L44-M48 VanDerWaalsContact CD1-SD 3.59Å; L44-M48 HydrophobicContact CD2-SD 4.47Å; L44-M48 HydrophobicContact CG-CG 4.38Å; L44-M48 HydrophobicContact CG-SD 3.98Å; L44-M48 VanDerWaalsContact O-CB 3.32Å; L44-M48 WeakPolarHBondContact O-CB 3.47Å; L44-M48 WeakPolarHBondContact O-CG 3.42Å; L44-M48 PolarHBondContact O-N 2.88Å; A45-M48 CarbonylContact O-C 3.47Å; A45-M48 PolarHBondContact O-N 3.39Å; E46-M48 PolarHBondContact O-N 3.31Å; E46-M48 VanDerWaalsContact O-N 3.16Å; M48-I50 HydrophobicContact CB-CD1 3.91Å; M48-I50 HydrophobicContact CB-CG1 4.02Å; M48-I50 PolarHBondContact O-N 2.84Å; M48-I50 HydrophobicContact SD-CD1 4.48Å
49N95.6Very high96.5Very high138 Ų13869.3 Ų69.374%0.73834%0.343SS*.THydrogen-bonded Turntrans49.953.7-173.5-54.5-62.2000112.7R24 A45 E46R24-N49 PolarHBondContact NH2-O 3.19Å; R24-N49 VanDerWaalsContact NH2-O 3.09Å; A45-N49 CarbonylContact O-C 3.57Å; A45-N49 WeakPolarHBondContact O-CA 2.98Å; A45-N49 PolarHBondContact O-N 3.01Å; E46-N49 PolarHBondContact O-N 3.33Å
50I96.8Very high96.5Very high8 Ų861.8 Ų61.84%0.04131%0.307CS..  trans-101.6123.3172.6-59.9165.4000107.8V20 R24 I30 L33 A45 M48V20-I50 HydrophobicContact CG1-CD1 4.35Å; V20-I50 HydrophobicContact CG2-CD1 4.49Å; R24-I50 VanDerWaalsContact NH2-CG1 3.3Å; I30-I50 HydrophobicContact CB-CG1 4.45Å; I30-I50 HydrophobicContact CG2-CD1 3.77Å; I30-I50 HydrophobicContact CG2-CG1 4.04Å; I30-I50 HydrophobicContact CG2-CG2 4.2Å; L33-I50 HydrophobicContact CB-CD1 4.16Å; L33-I50 HydrophobicContact CB-CG2 4.17Å; L33-I50 HydrophobicContact CD2-CD1 4.13Å; A45-I50 HydrophobicContact CB-CB 4.18Å; A45-I50 PolarHBondContact O-N 3.45Å; M48-I50 HydrophobicContact CB-CD1 3.91Å; M48-I50 HydrophobicContact CB-CG1 4.02Å; M48-I50 PolarHBondContact O-N 2.84Å; M48-I50 HydrophobicContact SD-CD1 4.48Å
51S94.4Very high96.6Very high125 Ų12558.2 Ų58.287%0.87429%0.291SS*.SBendtrans-74-32.2-170-580000114.2
52F98Very high96.6Very high70 Ų7064.2 Ų64.231%0.30732%0.322SS..  trans-116.5124.8-179.4-175.7-95000110.9E31 A32 L33 T54 D59 H63E31-F52 WeakPolarHBondContact O-CB 3.45Å; A32-F52 WeakPolarHBondContact CA-O 3.17Å; A32-F52 HydrophobicContact CB-CD1 3.66Å; A32-F52 HydrophobicContact CB-CE1 4.26Å; L33-F52 PolarHBondContact N-O 2.88Å; F52-T54 HydrophobicContact CE1-CG2 3.98Å; F52-T54 HydrophobicContact CZ-CG2 4.43Å; F52-D59 HydrophobicContact CE1-CB 4.49Å; F52-D59 HydrophobicContact CZ-CB 4.18Å; F52-H63 AromaticContact CD1-CD2 3.92Å
53Y98.3Very high96.6Very high74 Ų7461.9 Ų61.929%0.2931%0.312SS..EExtended strand (participates in β ladder)trans-140.4153.6176.164.2-97.4000110.1L33 A41 K42 A45L33-Y53 WeakPolarHBondContact O-CA 3.49Å; A41-Y53 HydrophobicContact CB-CD2 4.2Å; K42-Y53 HydrophobicContact CB-CD2 4.01Å; K42-Y53 HydrophobicContact CB-CE1 4.44Å; K42-Y53 HydrophobicContact CB-CE2 3.56Å; K42-Y53 HydrophobicContact CD-CE2 4.47Å; K42-Y53 HydrophobicContact CG-CE1 4.22Å; K42-Y53 HydrophobicContact CG-CE2 3.98Å; A45-Y53 HydrophobicContact CB-CD1 3.5Å; A45-Y53 VanDerWaalsContact CB-CD1 3.5Å; A45-Y53 HydrophobicContact CB-CE1 4.41Å; A45-Y53 HydrophobicContact CB-CG 3.83Å
54T98.2Very high96.5Very high5 Ų565.2 Ų65.23%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-164.1158.8-177.6-179.50000110.6L33 W34 G35 F52 R56 D59 V60L33-T54 PolarHBondContact O-N 2.9Å; W34-T54 WeakPolarHBondContact CA-O 3.3Å; G35-T54 PolarHBondContact N-O 3.1Å; F52-T54 HydrophobicContact CE1-CG2 3.98Å; F52-T54 HydrophobicContact CZ-CG2 4.43Å; T54-R56 WeakPolarHBondContact CG2-O 3.31Å; T54-R56 PolarHBondContact OG1-N 2.97Å; T54-D59 HydrophobicContact CG2-CB 3.8Å; T54-D59 PolarHBondContact OG1-OD2 3.45Å; T54-D59 VanDerWaalsContact OG1-OD2 3.13Å; T54-V60 HydrophobicContact CG2-CG2 3.43Å; T54-V60 VanDerWaalsContact CG2-CG2 3.43Å
55S97.3Very high96.5Very high43 Ų4368.6 Ų68.630%0.30135%0.346SS..SBendtrans-94.6-1.3166.552.40000113.8W34 G35 E38W34-S55 VanDerWaalsContact NE1-C 3.26Å; W34-S55 PolarHBondContact NE1-O 2.83Å; G35-S55 WeakPolarHBondContact O-CA 3.48Å; E38-S55 WeakPolarHBondContact OE2-CB 3.47Å; E38-S55 PolarHBondContact OE2-N 2.86Å; E38-S55 PolarHBondContact OE2-OG 2.91Å
56R97.3Very high96.5Very high161 Ų16168.5 Ų68.561%0.60835%0.345SS*.  trans-98.6121.5-177.6-61.8168.761105.45.9110.4T54 D58 D59T54-R56 WeakPolarHBondContact CG2-O 3.31Å; T54-R56 PolarHBondContact OG1-N 2.97Å; R56-D58 PolarHBondContact O-N 3.13Å; R56-D59 HydrophobicContact CB-CB 4.16Å; R56-D59 WeakPolarHBondContact CB-OD2 3.38Å; R56-D59 VanDerWaalsContact CD-OD2 3.31Å; R56-D59 WeakPolarHBondContact CD-OD2 3.24Å; R56-D59 IonicContact NE-OD1 3.22Å; R56-D59 PolarHBondContact NE-OD1 3.19Å; R56-D59 IonicContact NE-OD2 3.8Å; R56-D59 PolarHBondContact O-N 3.5Å
57T96.8Very high96.5Very high31 Ų3163.1 Ų63.119%0.1932%0.32CS..Hα-helixtrans-59.7-45.5-177.9-56.50000112.6F10 D59 V60 L61 I81F10-T57 HydrophobicContact CE1-CG2 3.88Å; F10-T57 HydrophobicContact CZ-CG2 4.32Å; T57-D59 VanDerWaalsContact C-N 3.26Å; T57-D59 PolarHBondContact O-N 3.11Å; T57-V60 PolarHBondContact O-N 3.13Å; T57-L61 HydrophobicContact CG2-CD1 3.84Å; T57-L61 HydrophobicContact CG2-CG 4.18Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 2.71Å; T57-L61 VanDerWaalsContact O-N 3.15Å; T57-I81 HydrophobicContact CG2-CB 4.5Å; T57-I81 HydrophobicContact CG2-CD1 4.13Å; T57-I81 HydrophobicContact CG2-CG1 3.95Å; T57-I81 HydrophobicContact CG2-CG2 4.18Å
58D97Very high96.7Very high73 Ų7358.3 Ų58.339%0.3930%0.298SS..Hα-helixtrans-66.7-29.8-173.6-60.2-23.6000111.7R56 V60 L61 L62 K84R56-D58 PolarHBondContact O-N 3.13Å; D58-V60 PolarHBondContact O-N 3.26Å; D58-L61 PolarHBondContact O-N 2.78Å; D58-L62 HydrophobicContact CB-CD1 4.37Å; D58-L62 VanDerWaalsContact O-CB 3.23Å; D58-L62 WeakPolarHBondContact O-CB 3.48Å; D58-L62 VanDerWaalsContact O-CG 3.23Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 3.02Å; D58-K84 IonicContact OD1-NZ 3.02Å; D58-K84 PolarHBondContact OD1-NZ 2.84Å; D58-K84 IonicContact OD2-NZ 3.94Å
59D97.7Very high96.9Very high56 Ų5657.3 Ų57.330%0.29929%0.293SS..Hα-helixtrans-62.5-40.5177.2-65.712.8000111.9F52 T54 R56 T57 H63F52-D59 HydrophobicContact CE1-CB 4.49Å; F52-D59 HydrophobicContact CZ-CB 4.18Å; T54-D59 HydrophobicContact CG2-CB 3.8Å; T54-D59 PolarHBondContact OG1-OD2 3.45Å; T54-D59 VanDerWaalsContact OG1-OD2 3.13Å; R56-D59 HydrophobicContact CB-CB 4.16Å; R56-D59 WeakPolarHBondContact CB-OD2 3.38Å; R56-D59 VanDerWaalsContact CD-OD2 3.31Å; R56-D59 WeakPolarHBondContact CD-OD2 3.24Å; R56-D59 IonicContact NE-OD1 3.22Å; R56-D59 PolarHBondContact NE-OD1 3.19Å; R56-D59 IonicContact NE-OD2 3.8Å; R56-D59 PolarHBondContact O-N 3.5Å; T57-D59 VanDerWaalsContact C-N 3.26Å; T57-D59 PolarHBondContact O-N 3.11Å; D59-H63 PolarHBondContact O-N 2.85Å
60V97.6Very high97.1Very high0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-72.6-44175.1174.80000111.3F10 A32 W34 T54 T57 D58 L62 H63F10-V60 HydrophobicContact CD2-CG1 4.47Å; F10-V60 HydrophobicContact CE1-CB 4.27Å; F10-V60 HydrophobicContact CE1-CG1 4.39Å; F10-V60 HydrophobicContact CE2-CB 4.28Å; F10-V60 HydrophobicContact CE2-CG1 3.57Å; F10-V60 HydrophobicContact CZ-CB 3.69Å; F10-V60 HydrophobicContact CZ-CG1 3.52Å; A32-V60 HydrophobicContact CB-CB 4.28Å; A32-V60 HydrophobicContact CB-CG1 3.79Å; A32-V60 HydrophobicContact CB-CG2 4.04Å; W34-V60 HydrophobicContact CB-CG2 3.91Å; T54-V60 HydrophobicContact CG2-CG2 3.43Å; T54-V60 VanDerWaalsContact CG2-CG2 3.43Å; T57-V60 PolarHBondContact O-N 3.13Å; D58-V60 PolarHBondContact O-N 3.26Å; V60-L62 VanDerWaalsContact C-N 3.33Å; V60-L62 PolarHBondContact O-N 3.26Å; V60-H63 WeakPolarHBondContact O-CB 3.31Å; V60-H63 PolarHBondContact O-N 3.2Å
61L97.4Very high97.1Very high3 Ų350.4 Ų50.42%0.01626%0.256CS..Hα-helixtrans-66.1-35.9-177.4-69-171.3000112.5F10 T57 D58 V69 I81 K84 A85 I88 K90F10-L61 HydrophobicContact CE2-CD2 3.89Å; F10-L61 HydrophobicContact CZ-CD2 3.67Å; F10-L61 HydrophobicContact CZ-CG 3.98Å; T57-L61 HydrophobicContact CG2-CD1 3.84Å; T57-L61 HydrophobicContact CG2-CG 4.18Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 2.71Å; T57-L61 VanDerWaalsContact O-N 3.15Å; D58-L61 PolarHBondContact O-N 2.78Å; L61-V69 HydrophobicContact CD2-CG1 3.98Å; L61-I81 HydrophobicContact CD2-CG2 4.46Å; L61-K84 HydrophobicContact CD1-CB 3.64Å; L61-K84 HydrophobicContact CD1-CD 4.33Å; L61-A85 HydrophobicContact CD2-CB 3.79Å; L61-I88 HydrophobicContact CB-CD1 3.68Å; L61-I88 WeakPolarHBondContact O-CD1 3.32Å; L61-K90 WeakPolarHBondContact O-CE 3.18Å
62L97.3Very high97.1Very high125 Ų12545.5 Ų45.565%0.65422%0.22SC*.THydrogen-bonded Turntrans-88.2-1.9179.5-62174.6000113.4D58 V60 Q64 I88D58-L62 HydrophobicContact CB-CD1 4.37Å; D58-L62 VanDerWaalsContact O-CB 3.23Å; D58-L62 WeakPolarHBondContact O-CB 3.48Å; D58-L62 VanDerWaalsContact O-CG 3.23Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 3.02Å; V60-L62 VanDerWaalsContact C-N 3.33Å; V60-L62 PolarHBondContact O-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.02Å; L62-I88 HydrophobicContact CD2-CD1 4.46Å
63H97.1Very high96.9Very high41 Ų4142.7 Ų42.719%0.1921%0.208CC..  trans-60.3129.3174.7-163.2-77.3000110.2F52 D59 V60 D65 V66 K90F52-H63 AromaticContact CD1-CD2 3.92Å; D59-H63 PolarHBondContact O-N 2.85Å; V60-H63 WeakPolarHBondContact O-CB 3.31Å; V60-H63 PolarHBondContact O-N 3.2Å; H63-D65 VanDerWaalsContact C-N 3.31Å; H63-D65 IonicContact CE1-OD2 3.75Å; H63-D65 PolarHBondContact ND1-N 2.85Å; H63-D65 PolarHBondContact O-N 3.49Å; H63-V66 HydrophobicContact CB-CB 4.23Å; H63-V66 HydrophobicContact CB-CG2 3.76Å; H63-V66 PolarHBondContact O-N 2.8Å; H63-K90 PolarHBondContact O-NZ 2.96Å
64Q94.4Very high96.6Very high172 Ų17241.1 Ų41.180%0.80421%0.207SC*.THydrogen-bonded Turntrans-67.3-33.6-169.2-67.3-174.6-7.300112.6L62L62-Q64 PolarHBondContact O-N 3.02Å
65D95.4Very high96.4Very high70 Ų7041.1 Ų41.137%0.37421%0.207SC..THydrogen-bonded Turntrans-87.8-4.8-179.3-59-62.5000114.3G6 E31 H63G6-D65 WeakPolarHBondContact CA-O 3.44Å; E31-D65 HydrophobicContact CB-CB 4.36Å; E31-D65 HydrophobicContact CG-CB 3.81Å; H63-D65 VanDerWaalsContact C-N 3.31Å; H63-D65 IonicContact CE1-OD2 3.75Å; H63-D65 PolarHBondContact ND1-N 2.85Å; H63-D65 PolarHBondContact O-N 3.49Å
66V97.1Very high96.1Very high0 Ų040.8 Ų40.80%020%0.204CC..EExtended strand (participates in β ladder)trans-84.9120.5176.31710000109.3G6 E31 A32 H63 V69 K90G6-V66 CarbonylContact O-C 3.16Å; E31-V66 HydrophobicContact CB-CG2 3.8Å; A32-V66 HydrophobicContact CB-CG2 3.93Å; H63-V66 HydrophobicContact CB-CB 4.23Å; H63-V66 HydrophobicContact CB-CG2 3.76Å; H63-V66 PolarHBondContact O-N 2.8Å; V66-V69 HydrophobicContact CG1-CG1 3.81Å; V66-K90 VanDerWaalsContact O-CD 3.26Å; V66-K90 WeakPolarHBondContact O-CD 3.32Å; V66-K90 WeakPolarHBondContact O-CE 3.38Å; V66-K90 PolarHBondContact O-NZ 2.92Å
67D96.6Very high95.9Very high8 Ų836.3 Ų36.34%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-119.1-23.7176.5-67.1-58.6000112.6P5 G6 N91 R324 R325P5-D67 HydrophobicContact CB-CB 3.63Å; G6-D67 PolarHBondContact O-N 2.84Å; D67-N91 PolarHBondContact O-N 2.92Å; D67-R324 WeakPolarHBondContact OD2-CB 3.17Å; D67-R325 HydrophobicContact CB-CG 4.08Å; D67-R325 VanDerWaalsContact OD1-CG 3.29Å; D67-R325 WeakPolarHBondContact OD1-CG 3.47Å; D67-R325 IonicContact OD1-CZ 3.91Å; D67-R325 IonicContact OD1-NE 3.97Å; D67-R325 PolarHBondContact OD1-NE 3.21Å; D67-R325 IonicContact OD1-NH2 3.78Å
68L97.6Very high95.8Very high0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-121.1135.1175.1172.265.8000109.7P5 G6 V7 G8 N91 I93 M117 L314P5-L68 HydrophobicContact CB-CB 4.17Å; P5-L68 HydrophobicContact CG-CB 4.3Å; G6-L68 PolarHBondContact O-N 3.09Å; G6-L68 VanDerWaalsContact O-N 3.17Å; V7-L68 CarbonylContact C-O 3.55Å; V7-L68 VanDerWaalsContact CA-O 3.3Å; V7-L68 WeakPolarHBondContact CA-O 3.41Å; V7-L68 HydrophobicContact CG2-CB 4.45Å; V7-L68 HydrophobicContact CG2-CD2 4.19Å; G8-L68 PolarHBondContact N-O 3.2Å; L68-N91 CarbonylContact C-O 3.34Å; L68-N91 WeakPolarHBondContact CA-O 3.4Å; L68-N91 HydrophobicContact CB-CB 4.4Å; L68-N91 HydrophobicContact CD1-CB 3.7Å; L68-I93 HydrophobicContact CD1-CD1 4.21Å; L68-I93 HydrophobicContact CD1-CG1 4.18Å; L68-I93 HydrophobicContact CD2-CD1 4.33Å; L68-M117 HydrophobicContact CD1-SD 4.49Å; L68-L314 HydrophobicContact CD2-CD1 4.31Å; L68-L314 HydrophobicContact CD2-CD2 3.76Å; L68-L314 HydrophobicContact CD2-CG 4.39Å
69V98.1Very high95.8Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-114.7131.5172-610000111.9G8 F10 L61 V66 I71 A85 N91 V92 I93G8-V69 CarbonylContact O-C 3.58Å; G8-V69 VanDerWaalsContact O-CA 3.27Å; G8-V69 WeakPolarHBondContact O-CA 3.07Å; F10-V69 HydrophobicContact CD2-CB 4.35Å; F10-V69 HydrophobicContact CE2-CB 4.1Å; F10-V69 HydrophobicContact CE2-CG1 3.98Å; L61-V69 HydrophobicContact CD2-CG1 3.98Å; V66-V69 HydrophobicContact CG1-CG1 3.81Å; V69-I71 HydrophobicContact CG2-CD1 4.25Å; V69-I71 HydrophobicContact CG2-CG1 4.33Å; V69-A85 HydrophobicContact CG2-CB 3.6Å; V69-N91 WeakPolarHBondContact CG2-O 3.43Å; V69-N91 PolarHBondContact N-O 2.65Å; V69-V92 HydrophobicContact CG2-CB 4.24Å; V69-V92 HydrophobicContact CG2-CG1 4.26Å; V69-V92 HydrophobicContact CG2-CG2 3.7Å; V69-I93 PolarHBondContact O-N 3.01Å
70C98.3Very high95.7Very high1 Ų136.3 Ų36.31%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-108.1111.2175.3-66.50000109.1V7 G8 F10 L19 I93V7-C70 HydrophobicContact CG1-CB 4.45Å; G8-C70 PolarHBondContact O-N 3.3Å; F10-C70 PolarHBondContact N-O 3.42Å; L19-C70 HydrophobicContact CD2-CB 3.77Å; C70-I93 CarbonylContact C-O 3.58Å; C70-I93 WeakPolarHBondContact CA-O 3.26Å
71I97.9Very high95.6Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-10598.2-171.3-55.1169.9000110.4F10 V69 I73 T78 I81 A82 V92 I93 C94 E95F10-I71 HydrophobicContact CB-CG1 4.48Å; F10-I71 HydrophobicContact CB-CG2 4.44Å; F10-I71 HydrophobicContact CD2-CG1 4.17Å; V69-I71 HydrophobicContact CG2-CD1 4.25Å; V69-I71 HydrophobicContact CG2-CG1 4.33Å; I71-I73 HydrophobicContact CG2-CD1 3.78Å; I71-I73 HydrophobicContact CG2-CG1 3.72Å; I71-T78 HydrophobicContact CG2-CG2 4.24Å; I71-I81 HydrophobicContact CD1-CB 4.03Å; I71-I81 HydrophobicContact CD1-CG2 3.71Å; I71-I81 HydrophobicContact CG1-CG2 4.09Å; I71-A82 HydrophobicContact CD1-CB 3.88Å; I71-V92 HydrophobicContact CD1-CG1 3.81Å; I71-I93 PolarHBondContact N-O 3.45Å; I71-C94 HydrophobicContact CB-CB 4.15Å; I71-C94 HydrophobicContact CD1-CB 4.31Å; I71-E95 PolarHBondContact O-N 2.92Å
72N94.3Very high95.6Very high22 Ų2236.3 Ų36.312%0.11818%0.183CC..  trans-118.352.3-176-57.6-29.3000111.1F10 T15 L19F10-N72 CarbonylContact O-C 3.57Å; F10-N72 WeakPolarHBondContact O-CA 3.26Å; F10-N72 PolarHBondContact O-N 2.63Å; T15-N72 HydrophobicContact CG2-CB 4.13Å; L19-N72 WeakPolarHBondContact CD2-ND2 3.49Å
73I93.8Very high95.6Very high11 Ų1132.5 Ų32.56%0.05617%0.165CC..SBendtrans-114.9168.7-17667-175.2000110.4F10 W34 I71 L77 T78 I81F10-I73 VanDerWaalsContact C-CG2 3.46Å; F10-I73 HydrophobicContact CB-CG2 3.89Å; F10-I73 WeakPolarHBondContact O-CG2 3.43Å; W34-I73 HydrophobicContact CE3-CG2 4Å; W34-I73 HydrophobicContact CZ3-CB 4.47Å; W34-I73 HydrophobicContact CZ3-CG2 3.62Å; I71-I73 HydrophobicContact CG2-CD1 3.78Å; I71-I73 HydrophobicContact CG2-CG1 3.72Å; I73-L77 HydrophobicContact CD1-CB 3.5Å; I73-L77 HydrophobicContact CG1-CB 3.99Å; I73-T78 HydrophobicContact CG1-CG2 3.93Å; I73-I81 HydrophobicContact CD1-CD1 3.41Å; I73-I81 VanDerWaalsContact CD1-CD1 3.41Å; I73-I81 HydrophobicContact CD1-CG1 4.18Å
74P92.1Very high95.7Very high42 Ų4234.1 Ų34.127%0.27317%0.171SC..  trans-51.5139176.3-29.937.8000112.9P76 L77 W164P74-P76 VanDerWaalsContact C-N 3.31Å; P74-P76 WeakPolarHBondContact O-CD 3.32Å; P74-P76 VanDerWaalsContact O-N 3.07Å; P74-L77 PolarHBondContact O-N 2.89Å; P74-W164 HydrophobicContact CB-CB 4.15Å; P74-W164 HydrophobicContact CB-CD2 4.31Å; P74-W164 HydrophobicContact CB-CG 3.75Å; P74-W164 HydrophobicContact CG-CG 4.18Å
75P92.8Very high95.8Very high5 Ų525.9 Ų25.93%0.03213%0.133CC..Hα-helixtrans-49.6-34.9-173.5-28.534.8000116.6L77 T78 A98 W164P75-L77 PolarHBondContact O-N 3.46Å; P75-T78 PolarHBondContact O-N 3.18Å; P75-T78 PolarHBondContact O-OG1 3.43Å; P75-A98 HydrophobicContact CB-CB 3.83Å; P75-A98 PolarHBondContact O-N 2.73Å; P75-W164 VanDerWaalsContact CD-CE3 3.5Å; P75-W164 HydrophobicContact CG-CE3 3.95Å; P75-W164 HydrophobicContact CG-CH2 4.12Å; P75-W164 HydrophobicContact CG-CZ3 3.69Å
76P92.4Very high95.9Very high36 Ų3622.6 Ų22.623%0.23412%0.115CC..Hα-helixtrans-68.1-17.8-179.7-25.838.5000114.3P74 A98 M170P74-P76 VanDerWaalsContact C-N 3.31Å; P74-P76 WeakPolarHBondContact O-CD 3.32Å; P74-P76 VanDerWaalsContact O-N 3.07Å; P76-A98 HydrophobicContact CB-CB 4.43Å; P76-A98 HydrophobicContact CG-CB 3.95Å; P76-M170 HydrophobicContact CB-CE 4.17Å; P76-M170 HydrophobicContact CB-SD 4.31Å; P76-M170 WeakPolarHBondContact CD-O 3.4Å; P76-M170 HydrophobicContact CG-CB 3.97Å; P76-M170 HydrophobicContact CG-CE 3.68Å; P76-M170 HydrophobicContact CG-CG 4.47Å; P76-M170 WeakPolarHBondContact CG-O 3.21Å; P76-M170 HydrophobicContact CG-SD 3.7Å
77L92.9Very high95.9Very high67 Ų6724.2 Ų24.235%0.35113%0.132SC..Hα-helixtrans-96.7-16-177.5-58.8179.2000112.7I73 P74 P75 R79I73-L77 HydrophobicContact CD1-CB 3.5Å; I73-L77 HydrophobicContact CG1-CB 3.99Å; P74-L77 PolarHBondContact O-N 2.89Å; P75-L77 PolarHBondContact O-N 3.46Å; L77-R79 PolarHBondContact O-N 3.21Å
78T95.1Very high95.9Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-63.7-46.2-169.656.50000112.2I71 I73 P75 Q80 I81 A82 C94 E95 K96I71-T78 HydrophobicContact CG2-CG2 4.24Å; I73-T78 HydrophobicContact CG1-CG2 3.93Å; P75-T78 PolarHBondContact O-N 3.18Å; P75-T78 PolarHBondContact O-OG1 3.43Å; T78-Q80 PolarHBondContact O-N 3.04Å; T78-I81 PolarHBondContact O-N 3.28Å; T78-A82 WeakPolarHBondContact O-CB 3.22Å; T78-A82 PolarHBondContact O-N 2.74Å; T78-C94 VanDerWaalsContact CB-SG 3.57Å; T78-E95 HydrophobicContact CG2-CB 4.28Å; T78-K96 PolarHBondContact OG1-O 3.32Å
79R95.8Very high95.8Very high61 Ų6128.3 Ų28.323%0.2316%0.157CC..Hα-helixtrans-52.8-52.4-179.1176.8-161.755.683.83.3112.4L77 I81 A82 V83 D102 R105 M106L77-R79 PolarHBondContact O-N 3.21Å; R79-I81 PolarHBondContact O-N 3.31Å; R79-A82 PolarHBondContact O-N 3.2Å; R79-V83 HydrophobicContact CG-CG2 3.95Å; R79-V83 WeakPolarHBondContact O-CB 3.29Å; R79-V83 VanDerWaalsContact O-CG2 3.31Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.09Å; R79-D102 HydrophobicContact CB-CB 3.98Å; R79-D102 WeakPolarHBondContact CD-OD1 3.38Å; R79-D102 HydrophobicContact CG-CB 4.39Å; R79-D102 IonicContact CZ-OD1 2.76Å; R79-D102 IonicContact NE-OD1 2.9Å; R79-D102 PolarHBondContact NE-OD1 3.44Å; R79-R105 VanDerWaalsContact CD-CD 3.45Å; R79-R105 HydrophobicContact CG-CB 4.09Å; R79-M106 HydrophobicContact CB-CG 4.11Å; R79-M106 HydrophobicContact CB-SD 4.22Å; R79-M106 HydrophobicContact CG-CG 4.03Å
80Q95.1Very high95.7Very high98 Ų9828.8 Ų28.846%0.45816%0.159SC..Hα-helixtrans-59.7-40.5-171.5-174.4-17814.800111T78 K84T78-Q80 PolarHBondContact O-N 3.04Å; Q80-K84 WeakPolarHBondContact O-CB 3.43Å; Q80-K84 VanDerWaalsContact O-CG 3.28Å; Q80-K84 WeakPolarHBondContact O-CG 3.29Å; Q80-K84 PolarHBondContact O-N 2.94Å
81I96.9Very high95.7Very high4 Ų428.7 Ų28.72%0.02116%0.159CC..Hα-helixtrans-74.9-45.6-179.5-52.8-167.5000110.6F10 T57 L61 I71 I73 T78 R79 V83 K84 A85F10-I81 HydrophobicContact CD1-CD1 3.45Å; F10-I81 VanDerWaalsContact CD1-CD1 3.45Å; F10-I81 HydrophobicContact CD1-CG2 3.89Å; F10-I81 HydrophobicContact CD2-CG2 4.09Å; F10-I81 HydrophobicContact CE1-CD1 3.82Å; F10-I81 HydrophobicContact CE1-CG2 3.72Å; F10-I81 HydrophobicContact CE2-CG2 3.91Å; F10-I81 HydrophobicContact CG-CD1 4.2Å; F10-I81 HydrophobicContact CG-CG2 4.08Å; F10-I81 HydrophobicContact CZ-CG2 3.73Å; T57-I81 HydrophobicContact CG2-CB 4.5Å; T57-I81 HydrophobicContact CG2-CD1 4.13Å; T57-I81 HydrophobicContact CG2-CG1 3.95Å; T57-I81 HydrophobicContact CG2-CG2 4.18Å; L61-I81 HydrophobicContact CD2-CG2 4.46Å; I71-I81 HydrophobicContact CD1-CB 4.03Å; I71-I81 HydrophobicContact CD1-CG2 3.71Å; I71-I81 HydrophobicContact CG1-CG2 4.09Å; I73-I81 HydrophobicContact CD1-CD1 3.41Å; I73-I81 VanDerWaalsContact CD1-CD1 3.41Å; I73-I81 HydrophobicContact CD1-CG1 4.18Å; T78-I81 PolarHBondContact O-N 3.28Å; R79-I81 PolarHBondContact O-N 3.31Å; I81-V83 PolarHBondContact O-N 3.36Å; I81-K84 PolarHBondContact O-N 2.88Å; I81-A85 VanDerWaalsContact O-CB 3.28Å; I81-A85 WeakPolarHBondContact O-CB 3.48Å; I81-A85 PolarHBondContact O-N 2.87Å
82A97.8Very high95.7Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-60.5-46.5-179.600000112.3I71 T78 R79 A85 L86 V92 M106 F338I71-A82 HydrophobicContact CD1-CB 3.88Å; T78-A82 WeakPolarHBondContact O-CB 3.22Å; T78-A82 PolarHBondContact O-N 2.74Å; R79-A82 PolarHBondContact O-N 3.2Å; A82-A85 PolarHBondContact O-N 2.85Å; A82-L86 WeakPolarHBondContact O-CG 3.36Å; A82-L86 PolarHBondContact O-N 3.31Å; A82-V92 HydrophobicContact CB-CG1 4.13Å; A82-M106 HydrophobicContact CB-CE 3.91Å; A82-M106 HydrophobicContact CB-CG 4.3Å; A82-M106 HydrophobicContact CB-SD 4.5Å; A82-F338 HydrophobicContact CB-CE2 4.31Å; A82-F338 HydrophobicContact CB-CZ 4.18Å
83V97.5Very high95.9Very high45 Ų4528.1 Ų28.127%0.27316%0.156SC..Hα-helixtrans-63.8-44.1178.6171.80000111.1R79 I81 G87 M106 A109R79-V83 HydrophobicContact CG-CG2 3.95Å; R79-V83 WeakPolarHBondContact O-CB 3.29Å; R79-V83 VanDerWaalsContact O-CG2 3.31Å; R79-V83 WeakPolarHBondContact O-CG2 3.44Å; R79-V83 PolarHBondContact O-N 3.09Å; I81-V83 PolarHBondContact O-N 3.36Å; V83-G87 PolarHBondContact O-N 3.47Å; V83-M106 HydrophobicContact CG2-CG 4.37Å; V83-A109 HydrophobicContact CB-CB 4.27Å; V83-A109 HydrophobicContact CG1-CB 4.07Å; V83-A109 HydrophobicContact CG2-CB 3.97Å
84K97.6Very high96Very high74 Ų7427.6 Ų27.632%0.32215%0.153SC..Hα-helixtrans-62.1-46.4176.3-80.6-178.8165-162.20111.7D58 L61 Q80 I81 G87 I88D58-K84 IonicContact OD1-NZ 3.02Å; D58-K84 PolarHBondContact OD1-NZ 2.84Å; D58-K84 IonicContact OD2-NZ 3.94Å; L61-K84 HydrophobicContact CD1-CB 3.64Å; L61-K84 HydrophobicContact CD1-CD 4.33Å; Q80-K84 WeakPolarHBondContact O-CB 3.43Å; Q80-K84 VanDerWaalsContact O-CG 3.28Å; Q80-K84 WeakPolarHBondContact O-CG 3.29Å; Q80-K84 PolarHBondContact O-N 2.94Å; I81-K84 PolarHBondContact O-N 2.88Å; K84-G87 PolarHBondContact O-N 3.46Å; K84-I88 WeakPolarHBondContact O-CG1 3.34Å; K84-I88 PolarHBondContact O-N 3.45Å; K84-I88 VanDerWaalsContact O-N 3.15Å
85A97.8Very high96Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-60.1-46.9-178.700000112.1L61 V69 I81 A82 G87 I88 G89 K90 V92L61-A85 HydrophobicContact CD2-CB 3.79Å; V69-A85 HydrophobicContact CG2-CB 3.6Å; I81-A85 VanDerWaalsContact O-CB 3.28Å; I81-A85 WeakPolarHBondContact O-CB 3.48Å; I81-A85 PolarHBondContact O-N 2.87Å; A82-A85 PolarHBondContact O-N 2.85Å; A85-G87 VanDerWaalsContact C-N 3.35Å; A85-G87 PolarHBondContact O-N 3.47Å; A85-I88 VanDerWaalsContact O-CG1 3.3Å; A85-I88 WeakPolarHBondContact O-CG1 3.41Å; A85-I88 PolarHBondContact O-N 3.35Å; A85-G89 PolarHBondContact O-N 3.03Å; A85-K90 HydrophobicContact CB-CB 4.29Å; A85-K90 WeakPolarHBondContact O-CB 3.16Å; A85-K90 PolarHBondContact O-N 3.35Å; A85-V92 HydrophobicContact CB-CG2 3.68Å
86L97.6Very high95.8Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-61.3-44173.6-70.2171.1000111.4A82 I88 G89 V92 A109 A110 Y113 L116 F338A82-L86 WeakPolarHBondContact O-CG 3.36Å; A82-L86 PolarHBondContact O-N 3.31Å; L86-I88 PolarHBondContact O-N 3.23Å; L86-I88 VanDerWaalsContact O-N 3.14Å; L86-G89 PolarHBondContact O-N 3.2Å; L86-V92 HydrophobicContact CD2-CB 4.35Å; L86-V92 HydrophobicContact CD2-CG2 3.81Å; L86-V92 HydrophobicContact CG-CG2 3.75Å; L86-A109 HydrophobicContact CB-CB 4.47Å; L86-A109 HydrophobicContact CD1-CB 3.91Å; L86-A110 HydrophobicContact CD1-CB 4.24Å; L86-Y113 HydrophobicContact CB-CD2 4.16Å; L86-L116 HydrophobicContact CB-CD1 4.46Å; L86-L116 HydrophobicContact CD2-CB 3.83Å; L86-L116 HydrophobicContact CD2-CD1 3.92Å; L86-L116 WeakPolarHBondContact O-CD1 3.49Å; L86-F338 HydrophobicContact CD1-CD2 4.43Å; L86-F338 HydrophobicContact CD1-CE2 3.85Å
87G96.7Very high95.8Very high34 Ų3425.9 Ų25.935%0.35114%0.139SC..Hα-helixtrans-59.5-23.7-179.900000115.3V83 K84 A85V83-G87 PolarHBondContact O-N 3.47Å; K84-G87 PolarHBondContact O-N 3.46Å; A85-G87 VanDerWaalsContact C-N 3.35Å; A85-G87 PolarHBondContact O-N 3.47Å
88I95.9Very high95.7Very high75 Ų7523.2 Ų23.239%0.38513%0.126SC..THydrogen-bonded Turntrans-105.89.8176.166.3160.3000113L61 L62 K84 A85 L86 K90L61-I88 HydrophobicContact CB-CD1 3.68Å; L61-I88 WeakPolarHBondContact O-CD1 3.32Å; L62-I88 HydrophobicContact CD2-CD1 4.46Å; K84-I88 WeakPolarHBondContact O-CG1 3.34Å; K84-I88 PolarHBondContact O-N 3.45Å; K84-I88 VanDerWaalsContact O-N 3.15Å; A85-I88 VanDerWaalsContact O-CG1 3.3Å; A85-I88 WeakPolarHBondContact O-CG1 3.41Å; A85-I88 PolarHBondContact O-N 3.35Å; L86-I88 PolarHBondContact O-N 3.23Å; L86-I88 VanDerWaalsContact O-N 3.14Å; I88-K90 HydrophobicContact CD1-CG 3.98Å; I88-K90 HydrophobicContact CG1-CG 3.99Å
89G95.3Very high95.6Very high19 Ų1925.2 Ų25.220%0.19614%0.138CC..THydrogen-bonded Turntrans86.624.8173.400000116.1A85 L86A85-G89 PolarHBondContact O-N 3.03Å; L86-G89 PolarHBondContact O-N 3.2Å
90K97.1Very high95.4Very high10 Ų1022.5 Ų22.54%0.04313%0.129CC..  trans-95.9145.3174.6-51.9-59.3-173.4-178.70111.5L61 H63 V66 A85 I88L61-K90 WeakPolarHBondContact O-CE 3.18Å; H63-K90 PolarHBondContact O-NZ 2.96Å; V66-K90 VanDerWaalsContact O-CD 3.26Å; V66-K90 WeakPolarHBondContact O-CD 3.32Å; V66-K90 WeakPolarHBondContact O-CE 3.38Å; V66-K90 PolarHBondContact O-NZ 2.92Å; A85-K90 HydrophobicContact CB-CB 4.29Å; A85-K90 WeakPolarHBondContact O-CB 3.16Å; A85-K90 PolarHBondContact O-N 3.35Å; I88-K90 HydrophobicContact CD1-CG 3.98Å; I88-K90 HydrophobicContact CG1-CG 3.99Å
91N97.5Very high95.4Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-70.1144.4167.9-70.2-58.2000110D67 L68 V69 M117 R325D67-N91 PolarHBondContact O-N 2.92Å; L68-N91 CarbonylContact C-O 3.34Å; L68-N91 WeakPolarHBondContact CA-O 3.4Å; L68-N91 HydrophobicContact CB-CB 4.4Å; L68-N91 HydrophobicContact CD1-CB 3.7Å; V69-N91 WeakPolarHBondContact CG2-O 3.43Å; V69-N91 PolarHBondContact N-O 2.65Å; N91-M117 HydrophobicContact CB-CB 3.95Å; N91-M117 WeakPolarHBondContact OD1-CB 3.27Å; N91-M117 PolarHBondContact OD1-N 3.38Å; N91-R325 PolarHBondContact ND2-O 3.17Å
92V98.2Very high95.3Very high0 Ų020 Ų200%012%0.119CC..EExtended strand (participates in β ladder)trans-130.9126.9-173.7-177.30000112.1V69 I71 A82 A85 L86 C94 M117 S118 I119 F338V69-V92 HydrophobicContact CG2-CB 4.24Å; V69-V92 HydrophobicContact CG2-CG1 4.26Å; V69-V92 HydrophobicContact CG2-CG2 3.7Å; I71-V92 HydrophobicContact CD1-CG1 3.81Å; A82-V92 HydrophobicContact CB-CG1 4.13Å; A85-V92 HydrophobicContact CB-CG2 3.68Å; L86-V92 HydrophobicContact CD2-CB 4.35Å; L86-V92 HydrophobicContact CD2-CG2 3.81Å; L86-V92 HydrophobicContact CG-CG2 3.75Å; V92-C94 HydrophobicContact CG1-CB 3.87Å; V92-M117 PolarHBondContact N-O 2.89Å; V92-S118 WeakPolarHBondContact O-CA 3.15Å; V92-I119 PolarHBondContact O-N 3.46Å; V92-F338 HydrophobicContact CB-CZ 4.44Å; V92-F338 HydrophobicContact CG1-CZ 3.86Å
93I97.8Very high95.2Very high9 Ų920.2 Ų20.25%0.04612%0.121CC..EExtended strand (participates in β ladder)trans-113.5124.8159.5-60.5167.7000107L68 V69 C70 I71 M117 I119 L314L68-I93 HydrophobicContact CD1-CD1 4.21Å; L68-I93 HydrophobicContact CD1-CG1 4.18Å; L68-I93 HydrophobicContact CD2-CD1 4.33Å; V69-I93 PolarHBondContact O-N 3.01Å; C70-I93 CarbonylContact C-O 3.58Å; C70-I93 WeakPolarHBondContact CA-O 3.26Å; I71-I93 PolarHBondContact N-O 3.45Å; I93-M117 HydrophobicContact CD1-SD 4.47Å; I93-M117 HydrophobicContact CG1-SD 4.23Å; I93-I119 CarbonylContact C-O 3.57Å; I93-I119 WeakPolarHBondContact CA-O 2.88Å; I93-I119 HydrophobicContact CG1-CB 4.46Å; I93-L314 HydrophobicContact CD1-CD1 3.79Å; I93-L314 HydrophobicContact CD1-CD2 3.68Å; I93-L314 HydrophobicContact CD1-CG 4.34Å
94C96.4Very high95.2Very high0 Ų018.8 Ų18.80%011%0.111CC..EExtended strand (participates in β ladder)trans-138.3141.7-170.5-170.40000112.1I71 T78 V92 M106 I119 V120 G121 F338I71-C94 HydrophobicContact CB-CB 4.15Å; I71-C94 HydrophobicContact CD1-CB 4.31Å; T78-C94 VanDerWaalsContact CB-SG 3.57Å; V92-C94 HydrophobicContact CG1-CB 3.87Å; C94-M106 HydrophobicContact CB-CE 4.09Å; C94-I119 PolarHBondContact N-O 2.87Å; C94-V120 CarbonylContact O-C 3.51Å; C94-V120 WeakPolarHBondContact O-CA 3.49Å; C94-G121 PolarHBondContact O-N 2.97Å; C94-F338 HydrophobicContact CB-CE1 3.92Å; C94-F338 HydrophobicContact CB-CZ 3.95Å
95E91.6Very high95.1Very high30 Ų3019.5 Ų19.514%0.1411%0.112CC..PPolyproline II helixtrans-61.6162.5163.9-73.3-64.5157.700111.6I71 T78I71-E95 PolarHBondContact O-N 2.92Å; T78-E95 HydrophobicContact CG2-CB 4.28Å
96K88.8Confident95.1Very high14 Ų1419.7 Ų19.76%0.06111%0.113CC..PPolyproline II helixtrans-59.5151178.751.8-108.1176.41590112.9T78 T177 T180 Y181T78-K96 PolarHBondContact OG1-O 3.32Å; K96-T177 PolarHBondContact NZ-O 3.39Å; K96-T180 PolarHBondContact NZ-OG1 2.86Å; K96-Y181 VanDerWaalsContact NZ-CD2 3.31Å
97A92.8Very high95.1Very high4 Ų419.8 Ų19.83%0.03311%0.113CC..PPolyproline II helixtrans-73.3153.7171.300000111.4T99 D102 A103 M106 H176 Q345A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.48Å; A97-D102 HydrophobicContact CB-CB 3.79Å; A97-A103 HydrophobicContact CB-CB 3.98Å; A97-M106 HydrophobicContact CB-SD 3.95Å; A97-H176 PolarHBondContact O-CE1 3.42Å; A97-H176 PolarHBondContact O-NE2 2.99Å; A97-Q345 VanDerWaalsContact O-CD 3.25Å; A97-Q345 PolarHBondContact O-NE2 3.17Å; A97-Q345 VanDerWaalsContact O-NE2 3.12Å
98A89.8Confident95.1Very high10 Ų1020.1 Ų20.18%0.08311%0.109CC..SBendtrans-68.8-28.817700000113.8P75 P76 H176P75-A98 HydrophobicContact CB-CB 3.83Å; P75-A98 PolarHBondContact O-N 2.73Å; P76-A98 HydrophobicContact CB-CB 4.43Å; P76-A98 HydrophobicContact CG-CB 3.95Å; A98-H176 PolarHBondContact O-CE1 2.92Å
99T93.4Very high95.1Very high43 Ų4317 Ų1726%0.2649%0.094SC..SBendtrans-137.1158.6-171.6680000111.6A97 V101 D102 A103A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.48Å; T99-V101 VanDerWaalsContact C-N 3.31Å; T99-V101 PolarHBondContact O-N 2.85Å; T99-D102 PolarHBondContact O-N 3.34Å; T99-D102 WeakPolarHBondContact OG1-CB 3.43Å; T99-D102 VanDerWaalsContact OG1-CG 3.28Å; T99-D102 PolarHBondContact OG1-N 2.65Å; T99-D102 PolarHBondContact OG1-OD2 3.27Å; T99-A103 PolarHBondContact O-N 3.02Å
100S93.1Very high95.2Very high4 Ų416.6 Ų16.63%0.0289%0.089CC..Hα-helixtrans-62.5-37173.261.40000112.4D102 A103 F104 L342 E349 M366S100-D102 VanDerWaalsContact C-N 3.34Å; S100-D102 PolarHBondContact O-N 3.1Å; S100-A103 PolarHBondContact O-N 2.9Å; S100-F104 WeakPolarHBondContact O-CB 3.36Å; S100-F104 PolarHBondContact O-N 3.35Å; S100-L342 VanDerWaalsContact O-CD1 3.29Å; S100-L342 WeakPolarHBondContact O-CD1 3.44Å; S100-E349 VanDerWaalsContact CB-CD 3.49Å; S100-E349 WeakPolarHBondContact CB-OE1 3.44Å; S100-E349 WeakPolarHBondContact CB-OE2 3.27Å; S100-E349 PolarHBondContact N-OE1 2.9Å; S100-E349 PolarHBondContact OG-OE1 3.42Å; S100-E349 PolarHBondContact OG-OE2 3.36Å; S100-M366 WeakPolarHBondContact OG-CE 3.16Å
101V93.7Very high95.2Very high22 Ų2223.1 Ų23.113%0.13311%0.113CC..Hα-helixtrans-59.7-45.6174.5179.40000110.9T99 F104 R105 M366 P370T99-V101 VanDerWaalsContact C-N 3.31Å; T99-V101 PolarHBondContact O-N 2.85Å; V101-F104 PolarHBondContact O-N 3.2Å; V101-R105 PolarHBondContact O-N 3.38Å; V101-R105 VanDerWaalsContact O-N 3.1Å; V101-M366 HydrophobicContact CG2-CE 3.89Å; V101-P370 HydrophobicContact CG1-CG 4.47Å; V101-P370 HydrophobicContact CG2-CG 3.62Å
102D94.5Very high95.1Very high26 Ų2631.7 Ų31.714%0.13915%0.146CC..Hα-helixtrans-66.7-40.9179.3-76.1-43.7000111.8R79 A97 T99 S100 F104 R105 M106R79-D102 HydrophobicContact CB-CB 3.98Å; R79-D102 WeakPolarHBondContact CD-OD1 3.38Å; R79-D102 HydrophobicContact CG-CB 4.39Å; R79-D102 IonicContact CZ-OD1 2.76Å; R79-D102 IonicContact NE-OD1 2.9Å; R79-D102 PolarHBondContact NE-OD1 3.44Å; A97-D102 HydrophobicContact CB-CB 3.79Å; T99-D102 PolarHBondContact O-N 3.34Å; T99-D102 WeakPolarHBondContact OG1-CB 3.43Å; T99-D102 VanDerWaalsContact OG1-CG 3.28Å; T99-D102 PolarHBondContact OG1-N 2.65Å; T99-D102 PolarHBondContact OG1-OD2 3.27Å; S100-D102 VanDerWaalsContact C-N 3.34Å; S100-D102 PolarHBondContact O-N 3.1Å; D102-F104 VanDerWaalsContact C-N 3.34Å; D102-R105 PolarHBondContact O-N 3.14Å; D102-M106 WeakPolarHBondContact O-CG 3.31Å; D102-M106 PolarHBondContact O-N 3.33Å; D102-M106 VanDerWaalsContact O-N 3.13Å
103A96.2Very high95Very high5 Ų536.4 Ų36.44%0.04117%0.165CC..Hα-helixtrans-62.4-40.3173.900000111.9A97 T99 S100 R105 M106 V107 L342 Q345A97-A103 HydrophobicContact CB-CB 3.98Å; T99-A103 PolarHBondContact O-N 3.02Å; S100-A103 PolarHBondContact O-N 2.9Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 2.92Å; A103-M106 WeakPolarHBondContact O-CB 3.33Å; A103-M106 PolarHBondContact O-N 2.77Å; A103-M106 VanDerWaalsContact O-N 3.16Å; A103-V107 WeakPolarHBondContact O-CG2 3.27Å; A103-V107 PolarHBondContact O-N 3.35Å; A103-L342 HydrophobicContact CB-CB 4.09Å; A103-L342 HydrophobicContact CB-CD1 3.98Å; A103-Q345 HydrophobicContact CB-CG 4.22Å
104F96.8Very high94.8Very high15 Ų1541 Ų417%0.06620%0.195CC..Hα-helixtrans-62.1-42178.3-178.8-90.7000111.7S100 V101 D102 M106 V107 T108 L342 M366 T367 E369S100-F104 WeakPolarHBondContact O-CB 3.36Å; S100-F104 PolarHBondContact O-N 3.35Å; V101-F104 PolarHBondContact O-N 3.2Å; D102-F104 VanDerWaalsContact C-N 3.34Å; F104-M106 VanDerWaalsContact C-N 3.33Å; F104-M106 PolarHBondContact O-N 3.09Å; F104-V107 WeakPolarHBondContact O-CB 3.48Å; F104-V107 PolarHBondContact O-N 3.02Å; F104-T108 WeakPolarHBondContact CE1-OG1 3.41Å; F104-T108 WeakPolarHBondContact O-CB 3.42Å; F104-T108 PolarHBondContact O-N 3.47Å; F104-T108 PolarHBondContact O-OG1 3.19Å; F104-L342 HydrophobicContact CB-CD1 4.05Å; F104-L342 HydrophobicContact CB-CD2 4.41Å; F104-L342 HydrophobicContact CD2-CD2 3.92Å; F104-M366 HydrophobicContact CB-CG 4.45Å; F104-M366 HydrophobicContact CB-SD 3.61Å; F104-M366 HydrophobicContact CD1-SD 4.38Å; F104-M366 HydrophobicContact CD2-CB 4.09Å; F104-M366 HydrophobicContact CD2-CG 3.78Å; F104-M366 HydrophobicContact CD2-SD 4.01Å; F104-M366 HydrophobicContact CE2-CG 4.3Å; F104-M366 HydrophobicContact CG-CG 4.15Å; F104-M366 HydrophobicContact CG-SD 3.73Å; F104-T367 VanDerWaalsContact CE2-C 3.48Å; F104-T367 WeakPolarHBondContact CE2-O 3.41Å; F104-E369 HydrophobicContact CD1-CB 4.07Å; F104-E369 HydrophobicContact CD1-CG 4.38Å; F104-E369 HydrophobicContact CE1-CB 3.75Å
105R96.3Very high94.7Very high89 Ų8949.9 Ų49.934%0.33623%0.234SC..Hα-helixtrans-64.4-37.3174.7-72.7178169.4-178.5-3.9112.3R79 V101 D102 A103 T108 A109 E369R79-R105 VanDerWaalsContact CD-CD 3.45Å; R79-R105 HydrophobicContact CG-CB 4.09Å; V101-R105 PolarHBondContact O-N 3.38Å; V101-R105 VanDerWaalsContact O-N 3.1Å; D102-R105 PolarHBondContact O-N 3.14Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 2.92Å; R105-T108 PolarHBondContact O-N 2.98Å; R105-A109 PolarHBondContact O-N 3.34Å; R105-A109 VanDerWaalsContact O-N 3.08Å; R105-E369 IonicContact CZ-OE1 2.81Å; R105-E369 IonicContact NE-OE1 3.73Å; R105-E369 PolarHBondContact NE-OE1 3.44Å; R105-E369 IonicContact NH2-OE1 3.97Å; R105-E369 PolarHBondContact NH2-OE1 3.49Å
106M97.2Very high94.9Very high5 Ų549.5 Ų49.53%0.02523%0.233CC..Hα-helixtrans-64.3-46.8173-69.5172.662.600111.4R79 A82 V83 C94 A97 D102 A103 F104 T108 A109 A110 F338R79-M106 HydrophobicContact CB-CG 4.11Å; R79-M106 HydrophobicContact CB-SD 4.22Å; R79-M106 HydrophobicContact CG-CG 4.03Å; A82-M106 HydrophobicContact CB-CE 3.91Å; A82-M106 HydrophobicContact CB-CG 4.3Å; A82-M106 HydrophobicContact CB-SD 4.5Å; V83-M106 HydrophobicContact CG2-CG 4.37Å; C94-M106 HydrophobicContact CB-CE 4.09Å; A97-M106 HydrophobicContact CB-SD 3.95Å; D102-M106 WeakPolarHBondContact O-CG 3.31Å; D102-M106 PolarHBondContact O-N 3.33Å; D102-M106 VanDerWaalsContact O-N 3.13Å; A103-M106 WeakPolarHBondContact O-CB 3.33Å; A103-M106 PolarHBondContact O-N 2.77Å; A103-M106 VanDerWaalsContact O-N 3.16Å; F104-M106 VanDerWaalsContact C-N 3.33Å; F104-M106 PolarHBondContact O-N 3.09Å; M106-T108 VanDerWaalsContact C-N 3.31Å; M106-T108 PolarHBondContact O-N 3.49Å; M106-A109 PolarHBondContact O-N 3.18Å; M106-A110 PolarHBondContact O-N 3.25Å; M106-F338 HydrophobicContact CB-CD2 3.66Å; M106-F338 HydrophobicContact CB-CE2 3.93Å; M106-F338 HydrophobicContact CB-CG 4.23Å; M106-F338 HydrophobicContact CE-CD1 3.99Å; M106-F338 HydrophobicContact CE-CD2 4.15Å; M106-F338 HydrophobicContact CE-CE1 3.56Å; M106-F338 HydrophobicContact CE-CE2 3.71Å; M106-F338 HydrophobicContact CE-CG 4.27Å; M106-F338 HydrophobicContact CE-CZ 3.39Å; M106-F338 WeakPolarHBondContact O-CD2 2.93Å
107V97.7Very high95.3Very high1 Ų148.9 Ų48.91%0.00623%0.23CC..Hα-helixtrans-56.5-46.2174.4168.30000111.2A103 F104 A109 A110 R111 F338 E339 L342A103-V107 WeakPolarHBondContact O-CG2 3.27Å; A103-V107 PolarHBondContact O-N 3.35Å; F104-V107 WeakPolarHBondContact O-CB 3.48Å; F104-V107 PolarHBondContact O-N 3.02Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 3.22Å; V107-A110 PolarHBondContact O-N 2.95Å; V107-R111 HydrophobicContact CG1-CG 4.34Å; V107-R111 WeakPolarHBondContact O-CG 3.26Å; V107-R111 PolarHBondContact O-N 2.82Å; V107-F338 HydrophobicContact CG2-CB 3.97Å; V107-F338 WeakPolarHBondContact CG2-O 3.42Å; V107-E339 HydrophobicContact CG1-CG 4.01Å; V107-E339 HydrophobicContact CG2-CG 4.26Å; V107-L342 HydrophobicContact CG2-CB 3.86Å; V107-L342 HydrophobicContact CG2-CD2 4.21Å
108T96.8Very high95.5Very high42 Ų4249.8 Ų49.826%0.25824%0.237SC..Hα-helixtrans-58.1-48.2179.3-61.20000110.5F104 R105 M106 A110 R111 Y112F104-T108 WeakPolarHBondContact CE1-OG1 3.41Å; F104-T108 WeakPolarHBondContact O-CB 3.42Å; F104-T108 PolarHBondContact O-N 3.47Å; F104-T108 PolarHBondContact O-OG1 3.19Å; R105-T108 PolarHBondContact O-N 2.98Å; M106-T108 VanDerWaalsContact C-N 3.31Å; M106-T108 PolarHBondContact O-N 3.49Å; T108-A110 PolarHBondContact O-N 2.95Å; T108-R111 PolarHBondContact O-N 3.4Å; T108-Y112 HydrophobicContact CG2-CD2 3.9Å; T108-Y112 HydrophobicContact CG2-CE2 3.65Å; T108-Y112 WeakPolarHBondContact O-CD2 3.38Å; T108-Y112 PolarHBondContact O-N 2.98Å; T108-Y112 VanDerWaalsContact O-N 3.09Å
109A96.7Very high95.8Very high8 Ų850 Ų507%0.06624%0.236CC..Hα-helixtrans-60.5-44.1175.600000112.5V83 L86 R105 M106 V107 R111 Y112 Y113V83-A109 HydrophobicContact CB-CB 4.27Å; V83-A109 HydrophobicContact CG1-CB 4.07Å; V83-A109 HydrophobicContact CG2-CB 3.97Å; L86-A109 HydrophobicContact CB-CB 4.47Å; L86-A109 HydrophobicContact CD1-CB 3.91Å; R105-A109 PolarHBondContact O-N 3.34Å; R105-A109 VanDerWaalsContact O-N 3.08Å; M106-A109 PolarHBondContact O-N 3.18Å; V107-A109 VanDerWaalsContact C-N 3.34Å; V107-A109 PolarHBondContact O-N 3.22Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 2.92Å; A109-Y112 PolarHBondContact O-N 2.94Å; A109-Y113 VanDerWaalsContact O-CD2 3.3Å; A109-Y113 WeakPolarHBondContact O-CD2 3.49Å; A109-Y113 PolarHBondContact O-N 2.83Å
110A97Very high95.9Very high11 Ų1148 Ų489%0.09122%0.224CC..Hα-helixtrans-60.8-40.9177.600000112.4L86 M106 V107 T108 Y112 Y113 S118 F338L86-A110 HydrophobicContact CD1-CB 4.24Å; M106-A110 PolarHBondContact O-N 3.25Å; V107-A110 PolarHBondContact O-N 2.95Å; T108-A110 PolarHBondContact O-N 2.95Å; A110-Y112 VanDerWaalsContact C-N 3.33Å; A110-Y112 PolarHBondContact O-N 3.27Å; A110-Y113 CarbonylContact O-C 3.5Å; A110-Y113 PolarHBondContact O-N 3.46Å; A110-Y113 VanDerWaalsContact O-N 3.11Å; A110-S118 WeakPolarHBondContact CB-OG 3.12Å; A110-F338 HydrophobicContact CB-CD2 3.93Å
111R96.5Very high95.8Very high147 Ų14748.1 Ų48.156%0.55523%0.225SC*.Hα-helixtrans-65.2-33.9176.1-73.2176.2176.1172-1.6113.1V107 T108 A109 Y113 P114 E339V107-R111 HydrophobicContact CG1-CG 4.34Å; V107-R111 WeakPolarHBondContact O-CG 3.26Å; V107-R111 PolarHBondContact O-N 2.82Å; T108-R111 PolarHBondContact O-N 3.4Å; A109-R111 VanDerWaalsContact C-N 3.33Å; A109-R111 PolarHBondContact O-N 2.92Å; R111-Y113 VanDerWaalsContact C-N 3.27Å; R111-Y113 PolarHBondContact O-N 2.9Å; R111-P114 WeakPolarHBondContact O-CD 3.41Å; R111-E339 IonicContact CZ-OE1 3.12Å; R111-E339 VanDerWaalsContact CZ-OE1 3.26Å; R111-E339 IonicContact NE-OE1 3.5Å; R111-E339 PolarHBondContact NE-OE1 3.43Å; R111-E339 IonicContact NH2-OE1 2.62Å; R111-E339 PolarHBondContact NH2-OE1 2.87Å
112Y96.9Very high95.8Very high180 Ų18047.1 Ų47.171%0.70622%0.219SC*.Hα-helixtrans-68.6-26.7173.1-85.1-71000112.6T108 A109 A110 P114T108-Y112 HydrophobicContact CG2-CD2 3.9Å; T108-Y112 HydrophobicContact CG2-CE2 3.65Å; T108-Y112 WeakPolarHBondContact O-CD2 3.38Å; T108-Y112 PolarHBondContact O-N 2.98Å; T108-Y112 VanDerWaalsContact O-N 3.09Å; A109-Y112 PolarHBondContact O-N 2.94Å; A110-Y112 VanDerWaalsContact C-N 3.33Å; A110-Y112 PolarHBondContact O-N 3.27Å; Y112-P114 VanDerWaalsContact C-CD 3.45Å; Y112-P114 WeakPolarHBondContact O-CD 3.28Å
113Y95.5Very high95.8Very high99 Ų9946 Ų4639%0.38821%0.213SC..  trans-125.361.5-178.5-58.6-76.9000112.8L86 A109 A110 R111 K115 L116L86-Y113 HydrophobicContact CB-CD2 4.16Å; A109-Y113 VanDerWaalsContact O-CD2 3.3Å; A109-Y113 WeakPolarHBondContact O-CD2 3.49Å; A109-Y113 PolarHBondContact O-N 2.83Å; A110-Y113 CarbonylContact O-C 3.5Å; A110-Y113 PolarHBondContact O-N 3.46Å; A110-Y113 VanDerWaalsContact O-N 3.11Å; R111-Y113 VanDerWaalsContact C-N 3.27Å; R111-Y113 PolarHBondContact O-N 2.9Å; Y113-K115 PolarHBondContact O-N 3.07Å; Y113-L116 HydrophobicContact CD1-CD1 4.47Å; Y113-L116 HydrophobicContact CG-CD1 4.13Å; Y113-L116 PolarHBondContact O-N 2.93Å
114P94.2Very high95.9Very high105 Ų10545.8 Ų45.868%0.68221%0.211SC*.THydrogen-bonded Turntrans-69.1-10.2-169.230-37.2000114.4R111 Y112R111-P114 WeakPolarHBondContact O-CD 3.41Å; Y112-P114 VanDerWaalsContact C-CD 3.45Å; Y112-P114 WeakPolarHBondContact O-CD 3.28Å
115K93.6Very high95.9Very high187 Ų18745.6 Ų45.681%0.81321%0.21SC*.THydrogen-bonded Turntrans-83.4-17.6174.6-64.6-175179.4-178.60112.7Y113 W327Y113-K115 PolarHBondContact O-N 3.07Å; K115-W327 PolarHBondContact O-NE1 3.04Å
116L95.6Very high96Very high23 Ų2341.9 Ų41.912%0.1220%0.196CC..SBendtrans-86.4144.8177.7-60.2175.5000109.7L86 Y113 S118L86-L116 HydrophobicContact CB-CD1 4.46Å; L86-L116 HydrophobicContact CD2-CB 3.83Å; L86-L116 HydrophobicContact CD2-CD1 3.92Å; L86-L116 WeakPolarHBondContact O-CD1 3.49Å; Y113-L116 HydrophobicContact CD1-CD1 4.47Å; Y113-L116 HydrophobicContact CG-CD1 4.13Å; Y113-L116 PolarHBondContact O-N 2.93Å; L116-S118 PolarHBondContact O-N 2.97Å
117M96.7Very high96Very high0 Ų041.6 Ų41.60%020%0.195CC..  trans-65.3129.8169.2-177.1-177.9-70.500109.5L68 N91 V92 I93 I119 L314 F318 W327 V332L68-M117 HydrophobicContact CD1-SD 4.49Å; N91-M117 HydrophobicContact CB-CB 3.95Å; N91-M117 WeakPolarHBondContact OD1-CB 3.27Å; N91-M117 PolarHBondContact OD1-N 3.38Å; V92-M117 PolarHBondContact N-O 2.89Å; I93-M117 HydrophobicContact CD1-SD 4.47Å; I93-M117 HydrophobicContact CG1-SD 4.23Å; M117-I119 HydrophobicContact CE-CD1 4.38Å; M117-I119 HydrophobicContact CG-CB 4.48Å; M117-I119 HydrophobicContact CG-CD1 3.54Å; M117-I119 HydrophobicContact CG-CG1 3.78Å; M117-I119 HydrophobicContact SD-CD1 3.75Å; M117-L314 HydrophobicContact CE-CD1 3.78Å; M117-L314 HydrophobicContact SD-CD1 3.65Å; M117-F318 HydrophobicContact CE-CE2 3.85Å; M117-F318 HydrophobicContact CE-CZ 3.98Å; M117-W327 VanDerWaalsContact CA-CZ2 3.45Å; M117-W327 HydrophobicContact CB-CD2 4.11Å; M117-W327 HydrophobicContact CB-CH2 4.19Å; M117-W327 HydrophobicContact CB-CZ2 3.8Å; M117-W327 HydrophobicContact CE-CB 4.32Å; M117-W327 HydrophobicContact CE-CD2 3.66Å; M117-W327 HydrophobicContact CE-CE3 3.36Å; M117-W327 HydrophobicContact CE-CG 4.06Å; M117-W327 HydrophobicContact CE-CZ3 3.83Å; M117-W327 HydrophobicContact CG-CH2 4.29Å; M117-W327 HydrophobicContact CG-CZ2 4.4Å; M117-W327 HydrophobicContact CG-CZ3 4.39Å; M117-V332 HydrophobicContact CE-CG2 4.24Å
118S96.8Very high95.9Very high24 Ų2442.8 Ų42.817%0.16820%0.203CC..EExtended strand (participates in β ladder)trans-138.884.9175.960.70000109.7V92 A110 L116V92-S118 WeakPolarHBondContact O-CA 3.15Å; A110-S118 WeakPolarHBondContact CB-OG 3.12Å; L116-S118 PolarHBondContact O-N 2.97Å
119I96.5Very high96Very high13 Ų1340.8 Ų40.87%0.06719%0.191CC..EExtended strand (participates in β ladder)trans-112.9138.9-171.7-68.7174.5000110.1V92 I93 C94 M117 V332 A335 A336V92-I119 PolarHBondContact O-N 3.46Å; I93-I119 CarbonylContact C-O 3.57Å; I93-I119 WeakPolarHBondContact CA-O 2.88Å; I93-I119 HydrophobicContact CG1-CB 4.46Å; C94-I119 PolarHBondContact N-O 2.87Å; M117-I119 HydrophobicContact CE-CD1 4.38Å; M117-I119 HydrophobicContact CG-CB 4.48Å; M117-I119 HydrophobicContact CG-CD1 3.54Å; M117-I119 HydrophobicContact CG-CG1 3.78Å; M117-I119 HydrophobicContact SD-CD1 3.75Å; I119-V332 HydrophobicContact CD1-CB 3.97Å; I119-V332 HydrophobicContact CD1-CG2 3.86Å; I119-A335 HydrophobicContact CB-CB 4.47Å; I119-A335 HydrophobicContact CD1-CB 3.8Å; I119-A335 HydrophobicContact CG1-CB 4.02Å; I119-A335 HydrophobicContact CG2-CB 3.65Å; I119-A336 CarbonylContact C-O 3.54Å; I119-A336 WeakPolarHBondContact CA-O 3.36Å
120V96.4Very high96.1Very high3 Ų340.5 Ų40.52%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-81.2135.1165-178.30000108.9C94 N122 A336 S337 F338 M344C94-V120 CarbonylContact O-C 3.51Å; C94-V120 WeakPolarHBondContact O-CA 3.49Å; V120-N122 PolarHBondContact O-N 2.84Å; V120-A336 HydrophobicContact CB-CB 4.05Å; V120-A336 PolarHBondContact N-O 3.35Å; V120-S337 VanDerWaalsContact CG2-O 3.26Å; V120-S337 WeakPolarHBondContact CG2-O 3.28Å; V120-F338 HydrophobicContact CG2-CD1 3.81Å; V120-F338 HydrophobicContact CG2-CE1 4.37Å; V120-M344 HydrophobicContact CG1-CE 4.08Å
121G91.4Very high96.1Very high5 Ų542.6 Ų42.65%0.05220%0.2CC..  trans-64.830.8-179.300000116.2C94 V123 Y181C94-G121 PolarHBondContact O-N 2.97Å; G121-V123 PolarHBondContact O-N 3.43Å; G121-Y181 PolarHBondContact O-OH 2.77Å
122N92.6Very high96.2Very high1 Ų138.6 Ų38.61%0.00519%0.186CC..  trans-77.592.3179-80.75000111.6V120 L124 Y181 D184 A336 M344V120-N122 PolarHBondContact O-N 2.84Å; N122-L124 VanDerWaalsContact C-N 3.34Å; N122-L124 PolarHBondContact O-N 3.42Å; N122-Y181 HydrophobicContact CB-CD1 4.24Å; N122-Y181 HydrophobicContact CB-CE1 4.12Å; N122-D184 VanDerWaalsContact ND2-CB 3.34Å; N122-D184 WeakPolarHBondContact ND2-CB 3.31Å; N122-D184 PolarHBondContact ND2-OD2 3.36Å; N122-A336 HydrophobicContact CB-CB 3.97Å; N122-M344 WeakPolarHBondContact ND2-CE 3.38Å; N122-M344 PolarHBondContact ND2-SD 3.05Å
123V95.6Very high96.3Very high2 Ų230 Ų301%0.01215%0.152CC..G310 helixtrans-72.9-17.2-174.3-63.40000115.8G121 R125 F126 Y181 Y303 M307 M310G121-V123 PolarHBondContact O-N 3.43Å; V123-R125 VanDerWaalsContact C-N 3.26Å; V123-R125 PolarHBondContact O-N 2.76Å; V123-F126 PolarHBondContact O-N 3.02Å; V123-F126 VanDerWaalsContact O-N 3.09Å; V123-Y181 HydrophobicContact CG2-CE1 4.17Å; V123-Y303 HydrophobicContact CG2-CD1 3.85Å; V123-Y303 WeakPolarHBondContact CG2-O 3.27Å; V123-M307 HydrophobicContact CB-CG 4.49Å; V123-M307 HydrophobicContact CG1-CB 4.38Å; V123-M307 HydrophobicContact CG1-CG 3.68Å; V123-M310 HydrophobicContact CG1-CB 4.49Å; V123-M310 HydrophobicContact CG1-CE 3.79Å; V123-M310 HydrophobicContact CG1-SD 3.85Å
124L96.9Very high96.4Very high1 Ų127.6 Ų27.61%0.00514%0.144CC..G310 helixtrans-64.5-30.4-175.5-65.3-174.3000112.8N122 F126 L127 F130 Y181 L185 L302 Y303N122-L124 VanDerWaalsContact C-N 3.34Å; N122-L124 PolarHBondContact O-N 3.42Å; L124-F126 PolarHBondContact O-N 3.26Å; L124-L127 HydrophobicContact CD2-CD1 3.61Å; L124-L127 WeakPolarHBondContact O-CB 3.4Å; L124-L127 PolarHBondContact O-N 3.44Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L124-F130 HydrophobicContact CB-CD2 4.38Å; L124-F130 WeakPolarHBondContact O-CD2 3.35Å; L124-Y181 HydrophobicContact CB-CD1 4.46Å; L124-Y181 HydrophobicContact CD1-CD1 3.94Å; L124-Y181 HydrophobicContact CD1-CG 4.25Å; L124-Y181 HydrophobicContact CG-CD1 3.78Å; L124-Y181 HydrophobicContact CG-CE1 4.36Å; L124-L185 HydrophobicContact CD1-CD2 4.16Å; L124-L302 HydrophobicContact CD2-CD1 3.78Å; L124-L302 HydrophobicContact CD2-CG 4.11Å; L124-Y303 HydrophobicContact CD1-CE1 4.01Å; L124-Y303 HydrophobicContact CD2-CD1 3.82Å; L124-Y303 HydrophobicContact CD2-CE1 3.6Å; L124-Y303 HydrophobicContact CG-CD1 4.29Å; L124-Y303 HydrophobicContact CG-CE1 3.81Å
125R97.4Very high96.6Very high12 Ų1226.2 Ų26.25%0.04513%0.129CC..G310 helixtrans-63.7-23.7176.9-61.6-170.3-177.5-164.4-2.2112.6V123 D184 H188 M334 A335 D340V123-R125 VanDerWaalsContact C-N 3.26Å; V123-R125 PolarHBondContact O-N 2.76Å; R125-D184 IonicContact CZ-OD1 3.16Å; R125-D184 VanDerWaalsContact CZ-OD1 3.27Å; R125-D184 IonicContact CZ-OD2 3.69Å; R125-D184 VanDerWaalsContact NE-CG 3.32Å; R125-D184 IonicContact NE-OD1 2.63Å; R125-D184 PolarHBondContact NE-OD1 2.63Å; R125-D184 IonicContact NE-OD2 2.94Å; R125-D184 PolarHBondContact NE-OD2 3.15Å; R125-D184 IonicContact NH2-OD1 3.85Å; R125-D184 PolarHBondContact NH2-OD1 2.82Å; R125-D184 IonicContact NH2-OD2 3.15Å; R125-H188 HydrophobicContact CG-CB 4.38Å; R125-H188 PolarHBondContact NH1-ND1 3.39Å; R125-M334 WeakPolarHBondContact CD-O 3.41Å; R125-M334 PolarHBondContact NH1-O 3.14Å; R125-M334 VanDerWaalsContact O-CE 3.26Å; R125-M334 WeakPolarHBondContact O-CE 3.42Å; R125-A335 PolarHBondContact NH1-O 2.55Å; R125-D340 IonicContact NH1-OD2 2.68Å; R125-D340 VanDerWaalsContact NH2-CG 3.33Å; R125-D340 IonicContact NH2-OD1 2.68Å; R125-D340 PolarHBondContact NH2-OD1 3.28Å; R125-D340 IonicContact NH2-OD2 3.1Å
126F97.3Very high96.9Very high10 Ų1018 Ų184%0.0449%0.094CC..G310 helixtrans-87.5-7.9178.5-66.4-87.6000113.7V123 L124 P128 Y309 M310 A313 V332 M334 A335V123-F126 PolarHBondContact O-N 3.02Å; V123-F126 VanDerWaalsContact O-N 3.09Å; L124-F126 PolarHBondContact O-N 3.26Å; F126-P128 WeakPolarHBondContact O-CD 3.3Å; F126-Y309 WeakPolarHBondContact O-CB 3.41Å; F126-M310 HydrophobicContact CB-CB 4.37Å; F126-M310 HydrophobicContact CD1-CB 4.27Å; F126-M310 HydrophobicContact CD2-CB 3.72Å; F126-M310 HydrophobicContact CD2-CG 3.87Å; F126-M310 HydrophobicContact CD2-SD 4.43Å; F126-M310 HydrophobicContact CE1-CB 4.49Å; F126-M310 HydrophobicContact CE1-CG 4.39Å; F126-M310 HydrophobicContact CE2-CB 3.97Å; F126-M310 HydrophobicContact CE2-CG 3.58Å; F126-M310 HydrophobicContact CE2-SD 4.08Å; F126-M310 HydrophobicContact CG-CB 3.86Å; F126-M310 HydrophobicContact CG-CG 4.38Å; F126-M310 HydrophobicContact CZ-CB 4.33Å; F126-M310 HydrophobicContact CZ-CG 3.85Å; F126-A313 HydrophobicContact CD1-CB 4Å; F126-A313 HydrophobicContact CE1-CB 3.63Å; F126-V332 HydrophobicContact CE1-CG1 4.33Å; F126-V332 HydrophobicContact CZ-CB 4.46Å; F126-V332 HydrophobicContact CZ-CG1 4.32Å; F126-M334 HydrophobicContact CD1-CG 4.21Å; F126-M334 HydrophobicContact CD1-SD 4.03Å; F126-M334 HydrophobicContact CE1-CG 4.04Å; F126-M334 HydrophobicContact CE1-SD 4.32Å; F126-M334 HydrophobicContact CZ-CG 4.37Å; F126-A335 HydrophobicContact CE2-CB 4.02Å; F126-A335 HydrophobicContact CZ-CB 3.74Å
127L97Very high97Very high0 Ų017.7 Ų17.70%09%0.092CC..SBendtrans-70.4126178.8-80.1172.8000110.6L124 A129 F130 V131 L302 K305 Y309L124-L127 HydrophobicContact CD2-CD1 3.61Å; L124-L127 WeakPolarHBondContact O-CB 3.4Å; L124-L127 PolarHBondContact O-N 3.44Å; L124-L127 VanDerWaalsContact O-N 3.14Å; L127-A129 PolarHBondContact O-N 2.95Å; L127-A129 VanDerWaalsContact O-N 3.08Å; L127-F130 HydrophobicContact CB-CD2 3.91Å; L127-F130 HydrophobicContact CD1-CD2 4Å; L127-F130 HydrophobicContact CD1-CE2 4.01Å; L127-F130 WeakPolarHBondContact O-CA 3.46Å; L127-F130 PolarHBondContact O-N 3.08Å; L127-V131 WeakPolarHBondContact O-CG2 3.45Å; L127-V131 PolarHBondContact O-N 3.42Å; L127-L302 HydrophobicContact CD1-CB 3.88Å; L127-L302 HydrophobicContact CD1-CD1 4.22Å; L127-L302 HydrophobicContact CD1-CG 4.3Å; L127-L302 WeakPolarHBondContact CD2-O 3.43Å; L127-K305 HydrophobicContact CD2-CB 3.79Å; L127-Y309 HydrophobicContact CD2-CD2 4.45Å
128P97.1Very high97.1Very high26 Ų2623.7 Ų23.717%0.16912%0.12CC..Hα-helixtrans-55.3-32.9-176.6-31.337000114.6F126 F130 V131 K132 F281 Y309F126-P128 WeakPolarHBondContact O-CD 3.3Å; P128-F130 VanDerWaalsContact C-N 3.33Å; P128-F130 PolarHBondContact O-N 2.82Å; P128-V131 PolarHBondContact O-N 2.85Å; P128-K132 VanDerWaalsContact O-CB 3.28Å; P128-K132 WeakPolarHBondContact O-CB 3.21Å; P128-K132 PolarHBondContact O-N 3.17Å; P128-F281 HydrophobicContact CB-CD1 4.47Å; P128-F281 HydrophobicContact CB-CE1 3.51Å; P128-F281 HydrophobicContact CB-CE2 4.15Å; P128-F281 HydrophobicContact CB-CZ 3.31Å; P128-F281 HydrophobicContact CG-CZ 4.25Å; P128-Y309 VanDerWaalsContact CD-CD2 3.47Å; P128-Y309 HydrophobicContact CG-CD1 4.39Å; P128-Y309 HydrophobicContact CG-CD2 4.07Å; P128-Y309 HydrophobicContact CG-CE1 3.9Å; P128-Y309 HydrophobicContact CG-CE2 3.55Å; P128-Y309 HydrophobicContact CG-CG 4.46Å; P128-Y309 VanDerWaalsContact CG-CZ 3.44Å
129A97.9Very high97.1Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-60.3-41.1173.600000112.5L127 M133 T265 L267 F281L127-A129 PolarHBondContact O-N 2.95Å; L127-A129 VanDerWaalsContact O-N 3.08Å; A129-M133 VanDerWaalsContact O-CB 3.27Å; A129-M133 WeakPolarHBondContact O-CB 3.17Å; A129-M133 PolarHBondContact O-N 2.95Å; A129-T265 WeakPolarHBondContact CB-O 3.39Å; A129-L267 HydrophobicContact CB-CB 4.25Å; A129-F281 HydrophobicContact CB-CD1 4.34Å
130F98.4Very high97.2Very high1 Ų133.5 Ų33.50%0.00416%0.162CC..Hα-helixtrans-78.8-33.9177.2-68.1-53.4000112.6L124 L127 P128 K132 M133 K134 L185 L189 H249 V251 A262L124-F130 HydrophobicContact CB-CD2 4.38Å; L124-F130 WeakPolarHBondContact O-CD2 3.35Å; L127-F130 HydrophobicContact CB-CD2 3.91Å; L127-F130 HydrophobicContact CD1-CD2 4Å; L127-F130 HydrophobicContact CD1-CE2 4.01Å; L127-F130 WeakPolarHBondContact O-CA 3.46Å; L127-F130 PolarHBondContact O-N 3.08Å; P128-F130 VanDerWaalsContact C-N 3.33Å; P128-F130 PolarHBondContact O-N 2.82Å; F130-K132 VanDerWaalsContact C-N 3.33Å; F130-M133 HydrophobicContact CD1-SD 4.27Å; F130-M133 PolarHBondContact O-N 3.26Å; F130-K134 WeakPolarHBondContact O-CB 3.37Å; F130-K134 PolarHBondContact O-N 3.29Å; F130-L185 HydrophobicContact CB-CD1 3.99Å; F130-L185 HydrophobicContact CD1-CD1 3.93Å; F130-L185 HydrophobicContact CD1-CD2 3.94Å; F130-L185 HydrophobicContact CD1-CG 4.37Å; F130-L185 HydrophobicContact CD2-CD1 4.06Å; F130-L185 HydrophobicContact CD2-CD2 4.06Å; F130-L185 HydrophobicContact CE1-CD1 4.49Å; F130-L185 HydrophobicContact CE1-CD2 3.64Å; F130-L185 HydrophobicContact CE1-CG 4.5Å; F130-L185 HydrophobicContact CE2-CD2 3.78Å; F130-L185 HydrophobicContact CG-CD1 3.72Å; F130-L185 HydrophobicContact CG-CD2 4.17Å; F130-L185 HydrophobicContact CZ-CD2 3.58Å; F130-L189 HydrophobicContact CB-CD2 4.49Å; F130-L189 HydrophobicContact CD1-CD1 4.18Å; F130-H249 AromaticContact CZ-CE1 3.77Å; F130-V251 HydrophobicContact CE1-CB 3.84Å; F130-V251 HydrophobicContact CE1-CG1 4.15Å; F130-V251 HydrophobicContact CE1-CG2 4.02Å; F130-V251 HydrophobicContact CZ-CB 4.2Å; F130-V251 HydrophobicContact CZ-CG2 3.93Å; F130-A262 HydrophobicContact CD1-CB 4.17Å; F130-A262 HydrophobicContact CE1-CB 3.42Å; F130-A262 VanDerWaalsContact CE1-CB 3.42Å; F130-A262 HydrophobicContact CZ-CB 3.81Å
131V98.1Very high97.3Very high56 Ų5634.4 Ų34.434%0.33917%0.166SC..Hα-helixtrans-58.1-48.6169.5-176.70000110.3L127 P128 K134 Q135 M334L127-V131 WeakPolarHBondContact O-CG2 3.45Å; L127-V131 PolarHBondContact O-N 3.42Å; P128-V131 PolarHBondContact O-N 2.85Å; V131-K134 PolarHBondContact O-N 2.91Å; V131-Q135 PolarHBondContact O-N 2.98Å; V131-M334 HydrophobicContact CB-CE 4.27Å; V131-M334 HydrophobicContact CG1-CE 4.1Å; V131-M334 HydrophobicContact CG2-CE 3.46Å; V131-M334 VanDerWaalsContact CG2-CE 3.46Å; V131-M334 HydrophobicContact CG2-SD 4.37Å
132K98.4Very high97.6Very high62 Ų6234.2 Ų34.227%0.2716%0.163SC..Hα-helixtrans-68.8-38179.2-172.559.8178.6172.90112.2P128 F130 Q135 L136 L267P128-K132 VanDerWaalsContact O-CB 3.28Å; P128-K132 WeakPolarHBondContact O-CB 3.21Å; P128-K132 PolarHBondContact O-N 3.17Å; F130-K132 VanDerWaalsContact C-N 3.33Å; K132-Q135 VanDerWaalsContact NZ-OE1 3.16Å; K132-Q135 PolarHBondContact O-N 3.43Å; K132-L136 HydrophobicContact CD-CG 4.44Å; K132-L136 HydrophobicContact CG-CD1 4.11Å; K132-L136 HydrophobicContact CG-CG 4.48Å; K132-L136 WeakPolarHBondContact O-CB 3.42Å; K132-L136 VanDerWaalsContact O-CG 3.3Å; K132-L136 WeakPolarHBondContact O-CG 3.35Å; K132-L136 PolarHBondContact O-N 2.89Å; K132-L267 HydrophobicContact CB-CD2 3.88Å; K132-L267 HydrophobicContact CG-CD2 3.76Å
133M98.7Very high97.9Very high0 Ų034.8 Ų34.80%017%0.17CC..Hα-helixtrans-59.7-47174.6-176.6-178.8-76.300110.9A129 F130 L136 I137 L189 V253 L260 A262 L267A129-M133 VanDerWaalsContact O-CB 3.27Å; A129-M133 WeakPolarHBondContact O-CB 3.17Å; A129-M133 PolarHBondContact O-N 2.95Å; F130-M133 HydrophobicContact CD1-SD 4.27Å; F130-M133 PolarHBondContact O-N 3.26Å; M133-L136 PolarHBondContact O-N 2.87Å; M133-I137 HydrophobicContact CG-CD1 4.01Å; M133-I137 VanDerWaalsContact O-CG1 3.31Å; M133-I137 WeakPolarHBondContact O-CG1 3.26Å; M133-I137 PolarHBondContact O-N 3.16Å; M133-L189 HydrophobicContact CB-CD2 4.19Å; M133-L189 HydrophobicContact CG-CD2 4.17Å; M133-L189 HydrophobicContact SD-CD1 3.66Å; M133-L189 HydrophobicContact SD-CD2 4.19Å; M133-V253 HydrophobicContact SD-CG2 4Å; M133-L260 HydrophobicContact CE-CB 4.17Å; M133-L260 HydrophobicContact CG-CB 4.22Å; M133-L260 HydrophobicContact CG-CD1 4.04Å; M133-A262 HydrophobicContact CE-CB 3.59Å; M133-A262 VanDerWaalsContact CE-N 3.33Å; M133-L267 HydrophobicContact CB-CD1 3.93Å; M133-L267 HydrophobicContact CB-CD2 4.23Å; M133-L267 HydrophobicContact CE-CD1 3.39Å; M133-L267 HydrophobicContact CG-CD1 4.27Å
134K98.6Very high97.9Very high48 Ų4840.2 Ų40.221%0.20920%0.199CC..Hα-helixtrans-59.1-49.7176-177.7164.6177.5151.80111.9F130 V131 L136 I137 E138 H188 L189F130-K134 WeakPolarHBondContact O-CB 3.37Å; F130-K134 PolarHBondContact O-N 3.29Å; V131-K134 PolarHBondContact O-N 2.91Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 2.88Å; K134-I137 WeakPolarHBondContact O-CB 3.34Å; K134-I137 PolarHBondContact O-N 2.85Å; K134-I137 VanDerWaalsContact O-N 3.1Å; K134-E138 WeakPolarHBondContact CE-OE1 3.28Å; K134-E138 HydrophobicContact CG-CG 4.46Å; K134-E138 WeakPolarHBondContact O-CG 3.34Å; K134-E138 PolarHBondContact O-N 3.13Å; K134-H188 VanDerWaalsContact CD-NE2 3.3Å; K134-H188 WeakPolarHBondContact CD-NE2 3.42Å; K134-H188 WeakPolarHBondContact CE-O 3.26Å; K134-H188 PolarHBondContact NZ-CE1 2.97Å; K134-H188 PolarHBondContact NZ-ND1 3.48Å; K134-H188 PolarHBondContact NZ-NE2 3.3Å; K134-H188 PolarHBondContact NZ-O 3.27Å; K134-L189 HydrophobicContact CB-CD2 3.93Å
135Q98.4Very high98Very high77 Ų7741.5 Ų41.536%0.3621%0.206SC..Hα-helixtrans-54-46176.6-179.1-173.33.100111.2V131 K132 I137 E138 E139V131-Q135 PolarHBondContact O-N 2.98Å; K132-Q135 VanDerWaalsContact NZ-OE1 3.16Å; K132-Q135 PolarHBondContact O-N 3.43Å; Q135-I137 PolarHBondContact O-N 3.39Å; Q135-E138 PolarHBondContact O-N 3.44Å; Q135-E139 HydrophobicContact CG-CG 4.39Å; Q135-E139 VanDerWaalsContact CG-OE1 3.27Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.45Å; Q135-E139 PolarHBondContact NE2-OE1 3.42Å; Q135-E139 WeakPolarHBondContact O-CB 3.28Å; Q135-E139 VanDerWaalsContact O-CG 3.26Å; Q135-E139 WeakPolarHBondContact O-CG 3.32Å; Q135-E139 PolarHBondContact O-N 3.39Å
136L98.6Very high98.1Very high15 Ų1545 Ų458%0.07923%0.225CC..Hα-helixtrans-68.8-32-180-71.8169.8000113.1K132 M133 K134 H140 Y141 L260 L267 L280K132-L136 HydrophobicContact CD-CG 4.44Å; K132-L136 HydrophobicContact CG-CD1 4.11Å; K132-L136 HydrophobicContact CG-CG 4.48Å; K132-L136 WeakPolarHBondContact O-CB 3.42Å; K132-L136 VanDerWaalsContact O-CG 3.3Å; K132-L136 WeakPolarHBondContact O-CG 3.35Å; K132-L136 PolarHBondContact O-N 2.89Å; M133-L136 PolarHBondContact O-N 2.87Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 2.88Å; L136-H140 PolarHBondContact O-N 2.79Å; L136-Y141 HydrophobicContact CB-CG 4.44Å; L136-Y141 HydrophobicContact CD2-CD2 4.09Å; L136-Y141 HydrophobicContact CD2-CG 4.42Å; L136-Y141 WeakPolarHBondContact O-CB 3.41Å; L136-Y141 PolarHBondContact O-N 2.86Å; L136-L260 HydrophobicContact CB-CD1 3.75Å; L136-L260 HydrophobicContact CD1-CD1 4.45Å; L136-L260 HydrophobicContact CD1-CD2 3.87Å; L136-L267 HydrophobicContact CD1-CD2 3.94Å; L136-L280 HydrophobicContact CD1-CD1 3.67Å
137I98.5Very high98.1Very high16 Ų1648.5 Ų48.58%0.08224%0.244CC..Hα-helixtrans-64.9-46.2171.9-69.2165.3000109.8M133 K134 Q135 E139 H140 V142 V145 L189 V253 L260M133-I137 HydrophobicContact CG-CD1 4.01Å; M133-I137 VanDerWaalsContact O-CG1 3.31Å; M133-I137 WeakPolarHBondContact O-CG1 3.26Å; M133-I137 PolarHBondContact O-N 3.16Å; K134-I137 WeakPolarHBondContact O-CB 3.34Å; K134-I137 PolarHBondContact O-N 2.85Å; K134-I137 VanDerWaalsContact O-N 3.1Å; Q135-I137 PolarHBondContact O-N 3.39Å; I137-E139 VanDerWaalsContact C-N 3.31Å; I137-E139 PolarHBondContact O-N 3.1Å; I137-H140 WeakPolarHBondContact O-CA 3.41Å; I137-H140 PolarHBondContact O-N 3.18Å; I137-V142 HydrophobicContact CG1-CG2 4.2Å; I137-V145 HydrophobicContact CG2-CG2 3.85Å; I137-L189 HydrophobicContact CD1-CB 4.24Å; I137-V253 HydrophobicContact CD1-CB 4.45Å; I137-V253 HydrophobicContact CD1-CG1 4.12Å; I137-V253 HydrophobicContact CD1-CG2 4.27Å; I137-L260 HydrophobicContact CG1-CD1 4.02Å
138E97.9Very high98.2Very high125 Ų12548.5 Ų48.558%0.58424%0.244SC*.Hα-helixtrans-64.5-33.8177.1-68.8171.5174.800112.4K134 Q135 H140K134-E138 WeakPolarHBondContact CE-OE1 3.28Å; K134-E138 HydrophobicContact CG-CG 4.46Å; K134-E138 WeakPolarHBondContact O-CG 3.34Å; K134-E138 PolarHBondContact O-N 3.13Å; Q135-E138 PolarHBondContact O-N 3.44Å; E138-H140 PolarHBondContact O-N 2.98Å
139E98.1Very high98.3Very high110 Ų11048.9 Ų48.951%0.51424%0.244SC..THydrogen-bonded Turntrans-77.710172.3-70170.8-17900113.2Q135 I137 Y141Q135-E139 HydrophobicContact CG-CG 4.39Å; Q135-E139 VanDerWaalsContact CG-OE1 3.27Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.45Å; Q135-E139 PolarHBondContact NE2-OE1 3.42Å; Q135-E139 WeakPolarHBondContact O-CB 3.28Å; Q135-E139 VanDerWaalsContact O-CG 3.26Å; Q135-E139 WeakPolarHBondContact O-CG 3.32Å; Q135-E139 PolarHBondContact O-N 3.39Å; I137-E139 VanDerWaalsContact C-N 3.31Å; I137-E139 PolarHBondContact O-N 3.1Å; E139-Y141 VanDerWaalsContact C-N 3.26Å; E139-Y141 PolarHBondContact O-N 3.31Å
140H97.9Very high98.3Very high133 Ų13348.9 Ų48.962%0.61624%0.244SC*.THydrogen-bonded Turntrans58.129.8-179.4-58.5-66000114.6L136 I137 E138 V142 G143L136-H140 PolarHBondContact O-N 2.79Å; I137-H140 WeakPolarHBondContact O-CA 3.41Å; I137-H140 PolarHBondContact O-N 3.18Å; E138-H140 PolarHBondContact O-N 2.98Å; H140-V142 VanDerWaalsContact C-N 3.26Å; H140-V142 PolarHBondContact O-N 3.34Å; H140-G143 PolarHBondContact O-N 2.83Å; H140-G143 VanDerWaalsContact O-N 3.07Å
141Y98.1Very high98.3Very high23 Ų2354 Ų549%0.0926%0.264CS..THydrogen-bonded Turntrans-57.3-42.2177.4-177.9-80.9000111.5L136 E139 T257 L260 Q270 K271 E278 L280L136-Y141 HydrophobicContact CB-CG 4.44Å; L136-Y141 HydrophobicContact CD2-CD2 4.09Å; L136-Y141 HydrophobicContact CD2-CG 4.42Å; L136-Y141 WeakPolarHBondContact O-CB 3.41Å; L136-Y141 PolarHBondContact O-N 2.86Å; E139-Y141 VanDerWaalsContact C-N 3.26Å; E139-Y141 PolarHBondContact O-N 3.31Å; Y141-T257 PolarHBondContact O-OG1 2.9Å; Y141-T257 VanDerWaalsContact O-OG1 3.05Å; Y141-L260 HydrophobicContact CD1-CD1 4.34Å; Y141-L260 HydrophobicContact CD1-CD2 3.75Å; Y141-L260 HydrophobicContact CD1-CG 3.95Å; Y141-L260 HydrophobicContact CE1-CD2 3.75Å; Y141-L260 HydrophobicContact CE1-CG 4.25Å; Y141-L260 HydrophobicContact CG-CD2 4.44Å; Y141-Q270 PolarHBondContact OH-N 2.68Å; Y141-K271 VanDerWaalsContact C-NZ 3.31Å; Y141-K271 HydrophobicContact CD1-CD 4.31Å; Y141-K271 HydrophobicContact CD2-CD 4.43Å; Y141-K271 HydrophobicContact CE1-CD 3.96Å; Y141-K271 HydrophobicContact CE2-CD 4.1Å; Y141-K271 VanDerWaalsContact CE2-CE 3.48Å; Y141-K271 PolarHBondContact O-NZ 3.17Å; Y141-E278 PolarHBondContact OH-OE1 2.68Å; Y141-L280 HydrophobicContact CE2-CD1 4.47Å
142V97.9Very high98.3Very high0 Ų051.3 Ų51.30%025%0.247CC..THydrogen-bonded Turntrans-93.40.7177.7-61.40000113.3I137 H140 V145 G255 S256 T257 L260I137-V142 HydrophobicContact CG1-CG2 4.2Å; H140-V142 VanDerWaalsContact C-N 3.26Å; H140-V142 PolarHBondContact O-N 3.34Å; V142-V145 HydrophobicContact CG2-CG2 4.15Å; V142-G255 CarbonylContact O-C 3.46Å; V142-G255 WeakPolarHBondContact O-CA 3.42Å; V142-S256 PolarHBondContact O-N 3.46Å; V142-T257 PolarHBondContact O-N 3.05Å; V142-T257 PolarHBondContact O-OG1 3.29Å; V142-L260 HydrophobicContact CG1-CB 4.43Å; V142-L260 HydrophobicContact CG1-CD1 3.9Å; V142-L260 HydrophobicContact CG1-CG 3.75Å
143G97.8Very high98.2Very high14 Ų1450.6 Ų50.614%0.14424%0.243CC..SBendtrans68.9-133.4-172.900000110.8H140 T257H140-G143 PolarHBondContact O-N 2.83Å; H140-G143 VanDerWaalsContact O-N 3.07Å; G143-T257 PolarHBondContact N-OG1 3.29Å
144N97.5Very high97.9Very high116 Ų11650.6 Ų50.662%0.6224%0.244SC*.SBendtrans-77.7127.3174.2-65.7-20.7000109.1G255 S256N144-G255 CarbonylContact O-C 3.6Å; N144-G255 WeakPolarHBondContact O-CA 3.5Å; N144-S256 PolarHBondContact N-OG 2.81Å; N144-S256 PolarHBondContact O-N 3.46Å
145V98.4Very high97.6Very high27 Ų2750.3 Ų50.316%0.16425%0.254CS..EExtended strand (participates in β ladder)trans-65.3133.4174.1178.80000109.4I137 V142 T190 V233 V253I137-V145 HydrophobicContact CG2-CG2 3.85Å; V142-V145 HydrophobicContact CG2-CG2 4.15Å; V145-T190 HydrophobicContact CG1-CG2 4.06Å; V145-V233 HydrophobicContact CB-CG2 4.38Å; V145-V233 HydrophobicContact CG1-CG1 3.86Å; V145-V233 HydrophobicContact CG1-CG2 4.17Å; V145-V233 WeakPolarHBondContact O-CG2 3.36Å; V145-V253 HydrophobicContact CG1-CG1 3.82Å; V145-V253 HydrophobicContact CG2-CG1 4.17Å
146L98.2Very high97.1Very high85 Ų8550 Ų5045%0.44526%0.261SS..EExtended strand (participates in β ladder)trans-123.7-48.4-177.3-59.5175.3000112C234 V254L146-C234 PolarHBondContact O-N 3.01Å; L146-V254 PolarHBondContact N-O 2.77Å
147I98.4Very high96.5Very high84 Ų8451.2 Ų51.243%0.43127%0.267SS..EExtended strand (participates in β ladder)trans-133.8136.5-171.9-58.8168.7000109.5C234 V254I147-C234 CarbonylContact C-O 3.59Å; I147-C234 VanDerWaalsContact CA-O 3.28Å; I147-C234 WeakPolarHBondContact CA-O 3.5Å; I147-V254 HydrophobicContact CB-CB 4.24Å; I147-V254 PolarHBondContact N-O 2.88Å; I147-V254 PolarHBondContact O-N 3.38Å
148C98.7Very high95.9Very high0 Ų051.6 Ų51.60%027%0.269CS..EExtended strand (participates in β ladder)trans-116.1132.8162.6-52.90000110L186 C234 C235 T236 M252C148-L186 HydrophobicContact CB-CD2 3.62Å; C148-C234 PolarHBondContact N-O 3.48Å; C148-C235 HydrophobicContact CB-CB 4.24Å; C148-C235 CarbonylContact O-C 3.54Å; C148-C235 VanDerWaalsContact O-CA 3.29Å; C148-C235 WeakPolarHBondContact O-CA 3.21Å; C148-T236 PolarHBondContact O-N 2.93Å; C148-M252 CarbonylContact C-O 3.6Å; C148-M252 VanDerWaalsContact CA-O 3.22Å; C148-M252 WeakPolarHBondContact CA-O 3.38Å
149D98.7Very high95.1Very high34 Ų3447.8 Ų47.818%0.18226%0.256CS..EExtended strand (participates in β ladder)trans-122.8128.4173.6-170.168000108.8R151 T236 M252D149-R151 IonicContact OD2-CZ 3.75Å; D149-R151 IonicContact OD2-NE 3.71Å; D149-R151 PolarHBondContact OD2-NE 3.13Å; D149-R151 IonicContact OD2-NH2 2.88Å; D149-T236 WeakPolarHBondContact CA-O 3.49Å; D149-M252 HydrophobicContact CB-CB 4.45Å; D149-M252 HydrophobicContact CB-CE 3.76Å; D149-M252 PolarHBondContact N-O 2.95Å; D149-M252 PolarHBondContact O-N 2.8Å
150V98.8Very high94.1Very high0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-131134-176.6-176.90000110.9V152 I182 L186 T236 V237 T238 E250 V251V150-V152 HydrophobicContact CG1-CG2 4.13Å; V150-I182 HydrophobicContact CB-CG2 4.02Å; V150-I182 HydrophobicContact CG1-CB 4.5Å; V150-I182 HydrophobicContact CG1-CD1 3.79Å; V150-I182 HydrophobicContact CG1-CG1 3.98Å; V150-I182 HydrophobicContact CG1-CG2 3.69Å; V150-I182 HydrophobicContact CG2-CG2 3.94Å; V150-L186 HydrophobicContact CG2-CD1 4.05Å; V150-L186 HydrophobicContact CG2-CD2 3.89Å; V150-L186 HydrophobicContact CG2-CG 4.28Å; V150-T236 PolarHBondContact N-O 3.41Å; V150-V237 HydrophobicContact CB-CB 4.44Å; V150-V237 HydrophobicContact CB-CG1 4.18Å; V150-V237 HydrophobicContact CB-CG2 4.12Å; V150-V237 HydrophobicContact CG1-CG1 4.3Å; V150-V237 HydrophobicContact CG2-CG2 4.4Å; V150-V237 WeakPolarHBondContact O-CA 3.27Å; V150-T238 PolarHBondContact O-N 2.87Å; V150-E250 VanDerWaalsContact CA-O 3.32Å; V150-E250 WeakPolarHBondContact CA-O 3.42Å; V150-E250 WeakPolarHBondContact CG1-O 3.41Å; V150-V251 HydrophobicContact CG1-CG2 3.97Å; V150-V251 HydrophobicContact CG2-CB 4.46Å; V150-V251 HydrophobicContact CG2-CG1 4.18Å; V150-V251 HydrophobicContact CG2-CG2 4.22Å
151R98.1Very high93.5Very high108 Ų10851.9 Ų51.941%0.40827%0.273SS..EExtended strand (participates in β ladder)trans-130.7120.2177.3-60.8174.7-171.2-166.3-4.7109.5D149 Y153 H249 E250D149-R151 IonicContact OD2-CZ 3.75Å; D149-R151 IonicContact OD2-NE 3.71Å; D149-R151 PolarHBondContact OD2-NE 3.13Å; D149-R151 IonicContact OD2-NH2 2.88Å; R151-Y153 HydrophobicContact CB-CE1 4Å; R151-Y153 HydrophobicContact CB-CE2 4.3Å; R151-Y153 HydrophobicContact CG-CE1 4.47Å; R151-H249 WeakPolarHBondContact O-CA 3.35Å; R151-E250 PolarHBondContact N-O 3.1Å; R151-E250 PolarHBondContact O-N 3.23Å
152V98Very high92.9Very high0 Ų053.9 Ų53.90%028%0.281CS..EExtended strand (participates in β ladder)trans-124.8102.6174.3-173.40000108.6V150 I182 T238 L239 N240 F241 F247 I248V150-V152 HydrophobicContact CG1-CG2 4.13Å; V152-I182 HydrophobicContact CG2-CD1 3.86Å; V152-I182 HydrophobicContact CG2-CG1 4Å; V152-T238 PolarHBondContact N-O 2.86Å; V152-L239 HydrophobicContact CB-CD2 3.72Å; V152-L239 HydrophobicContact CG2-CD2 3.87Å; V152-L239 WeakPolarHBondContact O-CA 3.41Å; V152-N240 PolarHBondContact O-N 2.96Å; V152-F241 HydrophobicContact CG1-CZ 4.45Å; V152-F247 HydrophobicContact CG1-CE1 4.43Å; V152-F247 HydrophobicContact CG1-CE2 3.96Å; V152-F247 HydrophobicContact CG1-CZ 3.55Å; V152-I248 CarbonylContact C-O 3.57Å; V152-I248 VanDerWaalsContact CA-O 3.31Å; V152-I248 WeakPolarHBondContact CA-O 3.27Å
153Y96.6Very high92.5Very high47 Ų4756.5 Ų56.518%0.18430%0.295CS..EExtended strand (participates in β ladder)trans-117.1139.3-177.5-51.1-23.8000110.8R151 T238 N240 M243 F247 I248R151-Y153 HydrophobicContact CB-CE1 4Å; R151-Y153 HydrophobicContact CB-CE2 4.3Å; R151-Y153 HydrophobicContact CG-CE1 4.47Å; Y153-T238 HydrophobicContact CE1-CG2 3.73Å; Y153-N240 CarbonylContact C-O 3.58Å; Y153-N240 VanDerWaalsContact CA-O 3.24Å; Y153-N240 WeakPolarHBondContact CA-O 3.49Å; Y153-N240 HydrophobicContact CD1-CB 3.49Å; Y153-N240 VanDerWaalsContact CD1-CB 3.49Å; Y153-N240 HydrophobicContact CE1-CB 3.99Å; Y153-N240 HydrophobicContact CG-CB 4.17Å; Y153-M243 VanDerWaalsContact CB-CE 3.45Å; Y153-M243 VanDerWaalsContact CB-SD 3.56Å; Y153-M243 HydrophobicContact CD2-SD 3.88Å; Y153-M243 HydrophobicContact CG-SD 4.14Å; Y153-F247 CarbonylContact O-C 3.24Å; Y153-F247 WeakPolarHBondContact O-CA 3.45Å; Y153-F247 WeakPolarHBondContact O-CD2 3.42Å; Y153-I248 HydrophobicContact CD2-CD1 4.29Å; Y153-I248 PolarHBondContact N-O 3.31Å; Y153-I248 PolarHBondContact O-N 3.39Å
154G93.3Very high92.2Very high1 Ų159.6 Ų59.61%0.0130%0.302CS..  trans-163-179.7178.900000112.7N240 F241 M243G154-N240 PolarHBondContact N-O 2.94Å; G154-F241 CarbonylContact O-C 3.56Å; G154-F241 WeakPolarHBondContact O-CA 3.26Å; G154-M243 CarbonylContact C-O 3.17Å; G154-M243 PolarHBondContact O-N 2.89Å
155G90.7Very high91.9Very high41 Ų4155.2 Ų55.242%0.42328%0.278SS..SBendtrans-70.7-179.6170.800000112.2L157 F241 M243G155-L157 PolarHBondContact O-N 2.85Å; G155-F241 CarbonylContact C-O 3.55Å; G155-F241 VanDerWaalsContact C-O 3.24Å; G155-M243 WeakPolarHBondContact CA-O 3.43Å; G155-M243 PolarHBondContact N-O 3.26Å
156S89.4Confident91.6Very high71 Ų7153.9 Ų53.950%0.49727%0.27SS..  trans-56134.9-176.7-166.50000112.2L158 F241S156-L158 PolarHBondContact O-N 3.39Å; S156-L158 PolarHBondContact OG-N 3.46Å; S156-F241 VanDerWaalsContact CA-O 3.26Å; S156-F241 WeakPolarHBondContact CA-O 2.98Å; S156-F241 PolarHBondContact N-O 3Å
157L85.5Confident91.3Very high40 Ų4051.7 Ų51.721%0.20926%0.259CS..SBendtrans-72-15.8168.5-64.7177.3000112.5G155 I165 F241G155-L157 PolarHBondContact O-N 2.85Å; L157-I165 HydrophobicContact CB-CD1 3.97Å; L157-F241 HydrophobicContact CD1-CB 4.22Å; L157-F241 HydrophobicContact CD1-CD1 4.15Å; L157-F241 HydrophobicContact CD1-CD2 3.5Å; L157-F241 HydrophobicContact CD1-CE1 4.48Å; L157-F241 HydrophobicContact CD1-CE2 3.89Å; L157-F241 HydrophobicContact CD1-CG 3.66Å; L157-F241 HydrophobicContact CD1-CZ 4.38Å; L157-F241 HydrophobicContact CD2-CD1 3.56Å; L157-F241 HydrophobicContact CD2-CD2 4.44Å; L157-F241 HydrophobicContact CD2-CE1 3.85Å; L157-F241 HydrophobicContact CD2-CG 3.9Å; L157-F241 HydrophobicContact CD2-CZ 4.42Å; L157-F241 HydrophobicContact CG-CB 3.78Å; L157-F241 HydrophobicContact CG-CD1 3.7Å; L157-F241 HydrophobicContact CG-CD2 3.91Å; L157-F241 HydrophobicContact CG-CE1 4.33Å; L157-F241 HydrophobicContact CG-CG 3.48Å; L157-F241 VanDerWaalsContact CG-CG 3.48Å
158L86.5Confident91Very high25 Ų2550.1 Ų50.113%0.13125%0.25CC..  trans-78.9132.2-173.7-55.8179.3000110.7S156 I165 V205 I211 V217S156-L158 PolarHBondContact O-N 3.39Å; S156-L158 PolarHBondContact OG-N 3.46Å; L158-I165 HydrophobicContact CD2-CG2 4.43Å; L158-V205 HydrophobicContact CD1-CB 4.3Å; L158-V205 HydrophobicContact CD1-CG1 3.85Å; L158-I211 HydrophobicContact CB-CD1 4.48Å; L158-V217 HydrophobicContact CD1-CG1 4.46Å; L158-V217 HydrophobicContact CD1-CG2 3.88Å; L158-V217 HydrophobicContact CD2-CG1 3.97Å; L158-V217 HydrophobicContact CD2-CG2 4.11Å
159S79.4Confident90.6Very high45 Ų4554.8 Ų54.832%0.31527%0.274SS..  trans-84.6175.5173.785.40000112K161 N163S159-K161 PolarHBondContact O-N 3.37Å; S159-K161 VanDerWaalsContact O-N 3.08Å; S159-K161 PolarHBondContact OG-N 3.18Å; S159-K161 VanDerWaalsContact OG-N 3.14Å; S159-K161 PolarHBondContact OG-O 3.48Å; S159-N163 PolarHBondContact OG-ND2 3.04Å; S159-N163 VanDerWaalsContact OG-ND2 3.13Å
160H78.7Confident90.3Very high166 Ų16656.8 Ų56.877%0.76928%0.284SS*.SBendtrans-69.44.4171.6-56.7-59.1000114.2S210H160-S210 WeakPolarHBondContact O-CB 3.07Å
161K84.1Confident89.9Confident162 Ų16256.8 Ų56.870%0.70428%0.284SS*.SBendtrans-139.7147.6174.6-64.5-177-177.4177.50110S159 N163S159-K161 PolarHBondContact O-N 3.37Å; S159-K161 VanDerWaalsContact O-N 3.08Å; S159-K161 PolarHBondContact OG-N 3.18Å; S159-K161 VanDerWaalsContact OG-N 3.14Å; S159-K161 PolarHBondContact OG-O 3.48Å; K161-N163 PolarHBondContact O-N 3.49Å
162Y86.3Confident89.6Confident66 Ų6651.7 Ų51.726%0.25926%0.264SS..  trans-65125.3170.5-169.7-87.5000110C166 I211 R215Y162-C166 HydrophobicContact CD2-CB 3.76Å; Y162-C166 HydrophobicContact CE1-CB 4.46Å; Y162-C166 HydrophobicContact CE2-CB 3.46Å; Y162-C166 VanDerWaalsContact CE2-CB 3.46Å; Y162-C166 HydrophobicContact CG-CB 4.41Å; Y162-I211 HydrophobicContact CD2-CD1 4.48Å; Y162-I211 HydrophobicContact CD2-CG2 3.73Å; Y162-I211 HydrophobicContact CE2-CG2 4.45Å; Y162-R215 HydrophobicContact CD2-CB 3.94Å; Y162-R215 HydrophobicContact CE2-CB 4.07Å; Y162-R215 HydrophobicContact CG-CB 4.37Å
163N89.4Confident89.5Confident55 Ų5551.7 Ų51.729%0.29427%0.265SS..  trans-144.4-175.317972.140.4000110.3S159 K161 I165 C166S159-N163 PolarHBondContact OG-ND2 3.04Å; S159-N163 VanDerWaalsContact OG-ND2 3.13Å; K161-N163 PolarHBondContact O-N 3.49Å; N163-I165 PolarHBondContact O-N 2.99Å; N163-I165 VanDerWaalsContact O-N 3.12Å; N163-I165 VanDerWaalsContact OD1-CB 3.3Å; N163-I165 WeakPolarHBondContact OD1-CB 3.2Å; N163-I165 WeakPolarHBondContact OD1-CG2 3.27Å; N163-I165 PolarHBondContact OD1-N 3.45Å; N163-C166 WeakPolarHBondContact O-CB 3.21Å; N163-C166 PolarHBondContact O-N 3.09Å; N163-C166 VanDerWaalsContact O-N 3.08Å
164W90.9Very high89.5Confident79 Ų7949.5 Ų49.530%0.29926%0.256SS..G310 helixtrans-56.3-28.2-17767.8-91000114.1P74 P75 C166 D167 M170 G171 T177P74-W164 HydrophobicContact CB-CB 4.15Å; P74-W164 HydrophobicContact CB-CD2 4.31Å; P74-W164 HydrophobicContact CB-CG 3.75Å; P74-W164 HydrophobicContact CG-CG 4.18Å; P75-W164 VanDerWaalsContact CD-CE3 3.5Å; P75-W164 HydrophobicContact CG-CE3 3.95Å; P75-W164 HydrophobicContact CG-CH2 4.12Å; P75-W164 HydrophobicContact CG-CZ3 3.69Å; W164-C166 PolarHBondContact O-N 3.28Å; W164-D167 PolarHBondContact O-N 3.35Å; W164-M170 HydrophobicContact CB-CB 4.1Å; W164-G171 VanDerWaalsContact CZ3-O 3.32Å; W164-G171 WeakPolarHBondContact CZ3-O 3.15Å; W164-T177 HydrophobicContact CH2-CG2 3.94Å; W164-T177 HydrophobicContact CZ3-CG2 4.04Å
165I92.3Very high89.6Confident23 Ų2349.4 Ų49.412%0.11826%0.255CS..G310 helixtrans-65.9-22.8-179-150.6167.6000112.4L157 L158 N163 D167 G172 G173 T177 S219L157-I165 HydrophobicContact CB-CD1 3.97Å; L158-I165 HydrophobicContact CD2-CG2 4.43Å; N163-I165 PolarHBondContact O-N 2.99Å; N163-I165 VanDerWaalsContact O-N 3.12Å; N163-I165 VanDerWaalsContact OD1-CB 3.3Å; N163-I165 WeakPolarHBondContact OD1-CB 3.2Å; N163-I165 WeakPolarHBondContact OD1-CG2 3.27Å; N163-I165 PolarHBondContact OD1-N 3.45Å; I165-D167 VanDerWaalsContact C-N 3.29Å; I165-G172 VanDerWaalsContact O-CA 3.26Å; I165-G172 WeakPolarHBondContact O-CA 3.35Å; I165-G173 PolarHBondContact O-N 3.49Å; I165-G173 VanDerWaalsContact O-N 3.13Å; I165-T177 HydrophobicContact CD1-CG2 4.07Å; I165-T177 HydrophobicContact CG1-CG2 4.04Å; I165-S219 VanDerWaalsContact O-CB 3.25Å; I165-S219 WeakPolarHBondContact O-CB 3.31Å; I165-S219 PolarHBondContact O-OG 2.79Å
166C91.5Very high89.8Confident0 Ų047.5 Ų47.50%024%0.235CC..G310 helixtrans-79.4-13.1-179.1-55.50000112.7Y162 N163 W164 V217 T218 S219Y162-C166 HydrophobicContact CD2-CB 3.76Å; Y162-C166 HydrophobicContact CE1-CB 4.46Å; Y162-C166 HydrophobicContact CE2-CB 3.46Å; Y162-C166 VanDerWaalsContact CE2-CB 3.46Å; Y162-C166 HydrophobicContact CG-CB 4.41Å; N163-C166 WeakPolarHBondContact O-CB 3.21Å; N163-C166 PolarHBondContact O-N 3.09Å; N163-C166 VanDerWaalsContact O-N 3.08Å; W164-C166 PolarHBondContact O-N 3.28Å; C166-V217 HydrophobicContact CB-CG1 4.49Å; C166-V217 HydrophobicContact CB-CG2 4.26Å; C166-V217 WeakPolarHBondContact O-CA 3.29Å; C166-T218 PolarHBondContact O-N 3.31Å; C166-S219 VanDerWaalsContact C-OG 3.3Å; C166-S219 WeakPolarHBondContact CA-OG 3.35Å; C166-S219 PolarHBondContact O-N 2.98Å; C166-S219 PolarHBondContact O-OG 3.48Å
167D91.9Very high90Very high39 Ų3944.9 Ų44.921%0.20922%0.216CC..  trans-116.8116.4-171.6-172.6-20.5000110.6W164 I165 L169 M170 G172 T218W164-D167 PolarHBondContact O-N 3.35Å; I165-D167 VanDerWaalsContact C-N 3.29Å; D167-L169 VanDerWaalsContact C-N 3.25Å; D167-L169 PolarHBondContact O-N 3.08Å; D167-L169 WeakPolarHBondContact OD1-CB 3.48Å; D167-L169 PolarHBondContact OD1-N 3.04Å; D167-M170 HydrophobicContact CB-CB 4Å; D167-M170 HydrophobicContact CB-CG 3.82Å; D167-M170 PolarHBondContact O-N 3.21Å; D167-M170 VanDerWaalsContact O-N 3.12Å; D167-G172 WeakPolarHBondContact O-CA 3.25Å; D167-G172 PolarHBondContact O-N 3.11Å; D167-T218 WeakPolarHBondContact CA-OG1 3.34Å
168E92.1Very high90.5Very high51 Ų5144.2 Ų44.224%0.23821%0.213CC..G310 helixtrans-55.6-39.2178.1-172.5-165.4158.200112.6M170 G171 T218 K352E168-M170 PolarHBondContact O-N 3.42Å; E168-G171 PolarHBondContact O-N 2.95Å; E168-T218 PolarHBondContact N-OG1 3.09Å; E168-T218 VanDerWaalsContact N-OG1 3.08Å; E168-K352 VanDerWaalsContact CG-NZ 3.3Å; E168-K352 PolarHBondContact O-NZ 3.09Å; E168-K352 VanDerWaalsContact OE1-CD 3.27Å; E168-K352 WeakPolarHBondContact OE1-CD 3.48Å; E168-K352 VanDerWaalsContact OE1-CE 3.29Å; E168-K352 WeakPolarHBondContact OE1-CE 3.22Å; E168-K352 IonicContact OE1-NZ 2.7Å; E168-K352 PolarHBondContact OE1-NZ 2.89Å
169L90.3Very high91Very high98 Ų9843 Ų4351%0.51321%0.206SC..G310 helixtrans-71.8-22.4-177.3-64178.2000112.1D167 G171D167-L169 VanDerWaalsContact C-N 3.25Å; D167-L169 PolarHBondContact O-N 3.08Å; D167-L169 WeakPolarHBondContact OD1-CB 3.48Å; D167-L169 PolarHBondContact OD1-N 3.04Å; L169-G171 VanDerWaalsContact C-N 3.26Å; L169-G171 PolarHBondContact O-N 3.14Å
170M91.6Very high91.8Very high76 Ų7640.9 Ų40.937%0.37419%0.191SC..G310 helixtrans-90.211.2177.9-60.2-68.1-80.700112.5P76 W164 D167 E168P76-M170 HydrophobicContact CB-CE 4.17Å; P76-M170 HydrophobicContact CB-SD 4.31Å; P76-M170 WeakPolarHBondContact CD-O 3.4Å; P76-M170 HydrophobicContact CG-CB 3.97Å; P76-M170 HydrophobicContact CG-CE 3.68Å; P76-M170 HydrophobicContact CG-CG 4.47Å; P76-M170 WeakPolarHBondContact CG-O 3.21Å; P76-M170 HydrophobicContact CG-SD 3.7Å; W164-M170 HydrophobicContact CB-CB 4.1Å; D167-M170 HydrophobicContact CB-CB 4Å; D167-M170 HydrophobicContact CB-CG 3.82Å; D167-M170 PolarHBondContact O-N 3.21Å; D167-M170 VanDerWaalsContact O-N 3.12Å; E168-M170 PolarHBondContact O-N 3.42Å
171G91.5Very high92.6Very high0 Ų033.9 Ų33.90%016%0.158CC..THydrogen-bonded Turntrans78.722.6-174.800000113.3W164 E168 L169 H176W164-G171 VanDerWaalsContact CZ3-O 3.32Å; W164-G171 WeakPolarHBondContact CZ3-O 3.15Å; E168-G171 PolarHBondContact O-N 2.95Å; L169-G171 VanDerWaalsContact C-N 3.26Å; L169-G171 PolarHBondContact O-N 3.14Å; G171-H176 VanDerWaalsContact O-CB 3.29Å; G171-H176 WeakPolarHBondContact O-CB 3.41Å; G171-H176 PolarHBondContact O-CD2 3.01Å
172G92.6Very high93.3Very high0 Ų026.2 Ų26.20%013%0.125CC..  trans-74.1171.4176.300000114.2I165 D167I165-G172 VanDerWaalsContact O-CA 3.26Å; I165-G172 WeakPolarHBondContact O-CA 3.35Å; D167-G172 WeakPolarHBondContact O-CA 3.25Å; D167-G172 PolarHBondContact O-N 3.11Å
173G94.7Very high93.9Very high1 Ų123 Ų231%0.0111%0.113CC..Hα-helixtrans92.4167.7171.500000115.9I165 L175 H176 T177 D220I165-G173 PolarHBondContact O-N 3.49Å; I165-G173 VanDerWaalsContact O-N 3.13Å; G173-L175 PolarHBondContact O-N 3.06Å; G173-H176 PolarHBondContact O-N 2.89Å; G173-T177 WeakPolarHBondContact O-CB 3.41Å; G173-T177 VanDerWaalsContact O-CG2 3.27Å; G173-T177 WeakPolarHBondContact O-CG2 3.42Å; G173-T177 PolarHBondContact O-N 3.45Å; G173-T177 PolarHBondContact O-OG1 3.08Å; G173-D220 CarbonylContact C-O 3.45Å; G173-D220 WeakPolarHBondContact CA-O 3.37Å
174G95.9Very high94.3Very high0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-59.3-44.8-177.800000113.3M178 G179 D220 L239G174-M178 PolarHBondContact O-N 2.89Å; G174-G179 PolarHBondContact O-N 3.11Å; G174-D220 WeakPolarHBondContact CA-OD2 3.17Å; G174-D220 PolarHBondContact N-O 3.33Å; G174-D220 PolarHBondContact N-OD1 2.84Å; G174-D220 PolarHBondContact N-OD2 3.27Å; G174-D220 VanDerWaalsContact N-OD2 3.15Å; G174-L239 WeakPolarHBondContact O-CD1 3.49Å
175L97.3Very high94.7Very high0 Ų016.9 Ų16.90%09%0.085CC..Iπ-helixtrans-61-48.5180179.965.1000112G173 G179 T180 L201 D220 F225 V348 I351 K352G173-L175 PolarHBondContact O-N 3.06Å; L175-G179 CarbonylContact O-C 3.55Å; L175-G179 WeakPolarHBondContact O-CA 3.47Å; L175-G179 PolarHBondContact O-N 2.81Å; L175-T180 PolarHBondContact O-N 2.97Å; L175-L201 HydrophobicContact CB-CD2 4.15Å; L175-L201 HydrophobicContact CD2-CD1 3.87Å; L175-L201 HydrophobicContact CD2-CD2 3.7Å; L175-L201 HydrophobicContact CD2-CG 4.21Å; L175-D220 PolarHBondContact N-OD2 3.08Å; L175-F225 HydrophobicContact CD1-CD1 4.04Å; L175-F225 HydrophobicContact CD1-CE1 3.8Å; L175-F225 HydrophobicContact CD1-CZ 4.46Å; L175-V348 HydrophobicContact CD2-CG1 3.98Å; L175-V348 HydrophobicContact CG-CG1 4.18Å; L175-V348 HydrophobicContact CG-CG2 4.29Å; L175-I351 HydrophobicContact CD1-CD1 3.92Å; L175-I351 HydrophobicContact CD1-CG2 4.1Å; L175-I351 HydrophobicContact CD2-CB 4.04Å; L175-I351 HydrophobicContact CD2-CG2 3.69Å; L175-K352 HydrophobicContact CD2-CG 3.95Å
176H94.9Very high95Very high1 Ų115.8 Ų15.81%0.0058%0.08CC..Iπ-helixtrans-74.1-40.5-177.4-166.996.8000111.7A97 A98 G171 G173 T180 Q345A97-H176 PolarHBondContact O-CE1 3.42Å; A97-H176 PolarHBondContact O-NE2 2.99Å; A98-H176 PolarHBondContact O-CE1 2.92Å; G171-H176 VanDerWaalsContact O-CB 3.29Å; G171-H176 WeakPolarHBondContact O-CB 3.41Å; G171-H176 PolarHBondContact O-CD2 3.01Å; G173-H176 PolarHBondContact O-N 2.89Å; H176-T180 WeakPolarHBondContact O-CG2 3.32Å; H176-T180 PolarHBondContact O-OG1 3.14Å; H176-Q345 PolarHBondContact CE1-NE2 3.31Å; H176-Q345 PolarHBondContact CE1-OE1 3.13Å; H176-Q345 PolarHBondContact ND1-OE1 3.34Å
177T92.5Very high95.3Very high16 Ų1616.3 Ų16.310%0.0988%0.083CC..Iπ-helixtrans-75.2-49.3-175.957.40000112.9K96 W164 I165 G173 Y181K96-T177 PolarHBondContact NZ-O 3.39Å; W164-T177 HydrophobicContact CH2-CG2 3.94Å; W164-T177 HydrophobicContact CZ3-CG2 4.04Å; I165-T177 HydrophobicContact CD1-CG2 4.07Å; I165-T177 HydrophobicContact CG1-CG2 4.04Å; G173-T177 WeakPolarHBondContact O-CB 3.41Å; G173-T177 VanDerWaalsContact O-CG2 3.27Å; G173-T177 WeakPolarHBondContact O-CG2 3.42Å; G173-T177 PolarHBondContact O-N 3.45Å; G173-T177 PolarHBondContact O-OG1 3.08Å; T177-Y181 VanDerWaalsContact O-CD2 3.27Å; T177-Y181 WeakPolarHBondContact O-CD2 3.41Å
178M95.4Very high95.6Very high26 Ų2615.4 Ų15.413%0.1288%0.078CC..Iπ-helixtrans-105.9-35.7-176.4-64.8-63.7-176.500112.6G174 T180 Y181 I182 L239 F241 F247 Y303G174-M178 PolarHBondContact O-N 2.89Å; M178-T180 VanDerWaalsContact C-N 3.28Å; M178-T180 PolarHBondContact O-N 3.09Å; M178-Y181 WeakPolarHBondContact O-CB 3.32Å; M178-Y181 PolarHBondContact O-N 2.82Å; M178-Y181 VanDerWaalsContact O-N 3.14Å; M178-I182 PolarHBondContact O-N 2.99Å; M178-I182 VanDerWaalsContact O-N 3.15Å; M178-L239 HydrophobicContact CB-CD2 4.48Å; M178-F241 HydrophobicContact CB-CZ 3.87Å; M178-F241 HydrophobicContact CG-CE1 3.98Å; M178-F241 HydrophobicContact CG-CE2 4.49Å; M178-F241 HydrophobicContact CG-CZ 3.5Å; M178-F247 HydrophobicContact CE-CE2 4.44Å; M178-F247 HydrophobicContact CE-CZ 4.42Å; M178-Y303 HydrophobicContact CE-CE2 4.19Å; M178-Y303 HydrophobicContact SD-CE2 4.11Å; M178-Y303 PolarHBondContact SD-OH 3.13Å
179G97.1Very high95.9Very high0 Ų013.2 Ų13.20%07%0.067CC..Iπ-helixtrans-59.1-38.4178.600000112.8G174 L175 Y181 I182 I183G174-G179 PolarHBondContact O-N 3.11Å; L175-G179 CarbonylContact O-C 3.55Å; L175-G179 WeakPolarHBondContact O-CA 3.47Å; L175-G179 PolarHBondContact O-N 2.81Å; G179-Y181 PolarHBondContact O-N 2.9Å; G179-I182 PolarHBondContact O-N 2.7Å; G179-I182 VanDerWaalsContact O-N 3.11Å; G179-I183 WeakPolarHBondContact O-CB 3.29Å; G179-I183 WeakPolarHBondContact O-CD1 3.34Å; G179-I183 WeakPolarHBondContact O-CG1 3.28Å; G179-I183 PolarHBondContact O-N 2.93Å
180T96.3Very high96.2Very high0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-57.8-45.2174.151.50000112.7K96 L175 H176 M178 I182 I183 D184 M344 V348K96-T180 PolarHBondContact NZ-OG1 2.86Å; L175-T180 PolarHBondContact O-N 2.97Å; H176-T180 WeakPolarHBondContact O-CG2 3.32Å; H176-T180 PolarHBondContact O-OG1 3.14Å; M178-T180 VanDerWaalsContact C-N 3.28Å; M178-T180 PolarHBondContact O-N 3.09Å; T180-I182 VanDerWaalsContact C-N 3.3Å; T180-I182 PolarHBondContact O-N 3.23Å; T180-I183 PolarHBondContact O-N 3.28Å; T180-D184 VanDerWaalsContact O-CB 3.26Å; T180-D184 WeakPolarHBondContact O-CB 3.47Å; T180-D184 PolarHBondContact O-N 3.34Å; T180-M344 HydrophobicContact CG2-CB 4.38Å; T180-V348 HydrophobicContact CG2-CG2 3.73Å
181Y96.9Very high96.5Very high18 Ų188.5 Ų8.57%0.0716%0.059CC..Hα-helixtrans-58.9-41.2174.2-84.3-81000112.2K96 G121 N122 V123 L124 T177 M178 G179 L185 Y303K96-Y181 VanDerWaalsContact NZ-CD2 3.31Å; G121-Y181 PolarHBondContact O-OH 2.77Å; N122-Y181 HydrophobicContact CB-CD1 4.24Å; N122-Y181 HydrophobicContact CB-CE1 4.12Å; V123-Y181 HydrophobicContact CG2-CE1 4.17Å; L124-Y181 HydrophobicContact CB-CD1 4.46Å; L124-Y181 HydrophobicContact CD1-CD1 3.94Å; L124-Y181 HydrophobicContact CD1-CG 4.25Å; L124-Y181 HydrophobicContact CG-CD1 3.78Å; L124-Y181 HydrophobicContact CG-CE1 4.36Å; T177-Y181 VanDerWaalsContact O-CD2 3.27Å; T177-Y181 WeakPolarHBondContact O-CD2 3.41Å; M178-Y181 WeakPolarHBondContact O-CB 3.32Å; M178-Y181 PolarHBondContact O-N 2.82Å; M178-Y181 VanDerWaalsContact O-N 3.14Å; G179-Y181 PolarHBondContact O-N 2.9Å; Y181-L185 WeakPolarHBondContact O-CB 3.47Å; Y181-L185 PolarHBondContact O-N 3.5Å; Y181-Y303 AromaticContact CD1-CE1 3.93Å; Y181-Y303 HydrophobicContact CD1-CE1 3.93Å; Y181-Y303 HydrophobicContact CD2-CE1 4.12Å; Y181-Y303 HydrophobicContact CE1-CD1 4.16Å; Y181-Y303 AromaticContact CE1-CE1 3.94Å; Y181-Y303 HydrophobicContact CE1-CE1 3.94Å; Y181-Y303 HydrophobicContact CE2-CE1 4.19Å; Y181-Y303 HydrophobicContact CG-CE1 4.02Å
182I98.3Very high96.8Very high1 Ų112 Ų121%0.0057%0.072CC..Hα-helixtrans-71.2-44.2-179.8-61.2-46.8000111.7V150 V152 M178 G179 T180 D184 L185 L186 V237 L239V150-I182 HydrophobicContact CB-CG2 4.02Å; V150-I182 HydrophobicContact CG1-CB 4.5Å; V150-I182 HydrophobicContact CG1-CD1 3.79Å; V150-I182 HydrophobicContact CG1-CG1 3.98Å; V150-I182 HydrophobicContact CG1-CG2 3.69Å; V150-I182 HydrophobicContact CG2-CG2 3.94Å; V152-I182 HydrophobicContact CG2-CD1 3.86Å; V152-I182 HydrophobicContact CG2-CG1 4Å; M178-I182 PolarHBondContact O-N 2.99Å; M178-I182 VanDerWaalsContact O-N 3.15Å; G179-I182 PolarHBondContact O-N 2.7Å; G179-I182 VanDerWaalsContact O-N 3.11Å; T180-I182 VanDerWaalsContact C-N 3.3Å; T180-I182 PolarHBondContact O-N 3.23Å; I182-D184 VanDerWaalsContact C-N 3.3Å; I182-D184 PolarHBondContact O-N 3.14Å; I182-L185 PolarHBondContact O-N 2.8Å; I182-L186 HydrophobicContact CG2-CD1 3.79Å; I182-L186 HydrophobicContact CG2-CG 4.13Å; I182-L186 WeakPolarHBondContact O-CB 3.4Å; I182-L186 VanDerWaalsContact O-CG 3.28Å; I182-L186 WeakPolarHBondContact O-CG 3.39Å; I182-L186 PolarHBondContact O-N 2.89Å; I182-V237 HydrophobicContact CB-CG1 4.48Å; I182-V237 HydrophobicContact CG2-CG1 3.88Å; I182-V237 HydrophobicContact CG2-CG2 3.8Å; I182-L239 HydrophobicContact CG1-CD2 4.43Å
183I98.5Very high97Very high0 Ų017.5 Ų17.50%010%0.096CC..Hα-helixtrans-59.1-46177.4-68.1158.1000110G179 T180 T187 F225 M227 Y343 M344 V347 V348 I351G179-I183 WeakPolarHBondContact O-CB 3.29Å; G179-I183 WeakPolarHBondContact O-CD1 3.34Å; G179-I183 WeakPolarHBondContact O-CG1 3.28Å; G179-I183 PolarHBondContact O-N 2.93Å; T180-I183 PolarHBondContact O-N 3.28Å; I183-T187 WeakPolarHBondContact O-CB 3.45Å; I183-T187 PolarHBondContact O-N 2.96Å; I183-T187 VanDerWaalsContact O-N 3.09Å; I183-T187 PolarHBondContact O-OG1 2.85Å; I183-F225 HydrophobicContact CD1-CZ 4.47Å; I183-F225 HydrophobicContact CG1-CE2 4.25Å; I183-F225 HydrophobicContact CG1-CZ 4.2Å; I183-M227 HydrophobicContact CG1-SD 4.22Å; I183-Y343 HydrophobicContact CG2-CE1 3.9Å; I183-M344 HydrophobicContact CG2-CG 4.41Å; I183-V347 HydrophobicContact CD1-CB 4.06Å; I183-V347 HydrophobicContact CD1-CG1 3.59Å; I183-V347 HydrophobicContact CG1-CG1 3.93Å; I183-V347 HydrophobicContact CG2-CB 3.98Å; I183-V347 HydrophobicContact CG2-CG1 3.99Å; I183-V347 HydrophobicContact CG2-CG2 4Å; I183-V348 HydrophobicContact CD1-CG2 3.96Å; I183-I351 HydrophobicContact CD1-CD1 4.22Å
184D98.4Very high97.2Very high3 Ų317.8 Ų17.82%0.01610%0.098CC..Hα-helixtrans-59.1-50.7175.7-174.459.9000112.5N122 R125 T180 I182 T187 H188 M344N122-D184 VanDerWaalsContact ND2-CB 3.34Å; N122-D184 WeakPolarHBondContact ND2-CB 3.31Å; N122-D184 PolarHBondContact ND2-OD2 3.36Å; R125-D184 IonicContact CZ-OD1 3.16Å; R125-D184 VanDerWaalsContact CZ-OD1 3.27Å; R125-D184 IonicContact CZ-OD2 3.69Å; R125-D184 VanDerWaalsContact NE-CG 3.32Å; R125-D184 IonicContact NE-OD1 2.63Å; R125-D184 PolarHBondContact NE-OD1 2.63Å; R125-D184 IonicContact NE-OD2 2.94Å; R125-D184 PolarHBondContact NE-OD2 3.15Å; R125-D184 IonicContact NH2-OD1 3.85Å; R125-D184 PolarHBondContact NH2-OD1 2.82Å; R125-D184 IonicContact NH2-OD2 3.15Å; T180-D184 VanDerWaalsContact O-CB 3.26Å; T180-D184 WeakPolarHBondContact O-CB 3.47Å; T180-D184 PolarHBondContact O-N 3.34Å; I182-D184 VanDerWaalsContact C-N 3.3Å; I182-D184 PolarHBondContact O-N 3.14Å; D184-T187 PolarHBondContact O-N 2.73Å; D184-H188 VanDerWaalsContact O-CB 3.31Å; D184-H188 WeakPolarHBondContact O-CB 3.42Å; D184-H188 PolarHBondContact O-N 3.06Å; D184-M344 HydrophobicContact CB-CG 4.1Å; D184-M344 HydrophobicContact CB-SD 3.6Å; D184-M344 VanDerWaalsContact CB-SD 3.6Å
185L98.5Very high97.3Very high1 Ų123.1 Ų23.11%0.00512%0.123CC..Hα-helixtrans-64.3-46.3-176.9179.763.7000111.6L124 F130 Y181 I182 T187 H188 L189 V251L124-L185 HydrophobicContact CD1-CD2 4.16Å; F130-L185 HydrophobicContact CB-CD1 3.99Å; F130-L185 HydrophobicContact CD1-CD1 3.93Å; F130-L185 HydrophobicContact CD1-CD2 3.94Å; F130-L185 HydrophobicContact CD1-CG 4.37Å; F130-L185 HydrophobicContact CD2-CD1 4.06Å; F130-L185 HydrophobicContact CD2-CD2 4.06Å; F130-L185 HydrophobicContact CE1-CD1 4.49Å; F130-L185 HydrophobicContact CE1-CD2 3.64Å; F130-L185 HydrophobicContact CE1-CG 4.5Å; F130-L185 HydrophobicContact CE2-CD2 3.78Å; F130-L185 HydrophobicContact CG-CD1 3.72Å; F130-L185 HydrophobicContact CG-CD2 4.17Å; F130-L185 HydrophobicContact CZ-CD2 3.58Å; Y181-L185 WeakPolarHBondContact O-CB 3.47Å; Y181-L185 PolarHBondContact O-N 3.5Å; I182-L185 PolarHBondContact O-N 2.8Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 2.98Å; L185-H188 PolarHBondContact O-N 2.99Å; L185-L189 HydrophobicContact CD1-CD1 3.95Å; L185-L189 HydrophobicContact CD1-CD2 4.44Å; L185-L189 HydrophobicContact CD1-CG 3.96Å; L185-L189 HydrophobicContact CG-CD1 3.81Å; L185-L189 HydrophobicContact CG-CG 4.25Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.17Å; L185-V251 HydrophobicContact CD2-CG2 3.99Å
186L98.5Very high97.3Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-61.5-42.4177.8-70.9176.8000111.4C148 V150 I182 H188 L189 T190 M227 C235 V237 V251C148-L186 HydrophobicContact CB-CD2 3.62Å; V150-L186 HydrophobicContact CG2-CD1 4.05Å; V150-L186 HydrophobicContact CG2-CD2 3.89Å; V150-L186 HydrophobicContact CG2-CG 4.28Å; I182-L186 HydrophobicContact CG2-CD1 3.79Å; I182-L186 HydrophobicContact CG2-CG 4.13Å; I182-L186 WeakPolarHBondContact O-CB 3.4Å; I182-L186 VanDerWaalsContact O-CG 3.28Å; I182-L186 WeakPolarHBondContact O-CG 3.39Å; I182-L186 PolarHBondContact O-N 2.89Å; L186-H188 VanDerWaalsContact C-N 3.34Å; L186-L189 PolarHBondContact O-N 2.99Å; L186-T190 WeakPolarHBondContact O-CB 3.45Å; L186-T190 VanDerWaalsContact O-CG2 3.32Å; L186-T190 WeakPolarHBondContact O-CG2 3.26Å; L186-T190 PolarHBondContact O-N 3.05Å; L186-T190 PolarHBondContact O-OG1 3.38Å; L186-M227 HydrophobicContact CD1-CE 3.63Å; L186-C235 HydrophobicContact CD1-CB 4.07Å; L186-V237 HydrophobicContact CD1-CG2 4.07Å; L186-V251 HydrophobicContact CD2-CG1 4.34Å
187T98.1Very high97.5Very high11 Ų1128 Ų287%0.06715%0.145CC..Hα-helixtrans-62.9-42.8175.5-57.80000110.9I183 D184 L185 G191 R192 K193 Y343I183-T187 WeakPolarHBondContact O-CB 3.45Å; I183-T187 PolarHBondContact O-N 2.96Å; I183-T187 VanDerWaalsContact O-N 3.09Å; I183-T187 PolarHBondContact O-OG1 2.85Å; D184-T187 PolarHBondContact O-N 2.73Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 2.98Å; T187-G191 WeakPolarHBondContact O-CA 3.3Å; T187-G191 PolarHBondContact O-N 2.87Å; T187-R192 WeakPolarHBondContact CA-O 3.47Å; T187-R192 WeakPolarHBondContact CG2-O 3.43Å; T187-K193 HydrophobicContact CG2-CG 4.16Å; T187-Y343 HydrophobicContact CG2-CD1 4.48Å; T187-Y343 HydrophobicContact CG2-CE1 3.85Å; T187-Y343 WeakPolarHBondContact OG1-CE1 3.22Å; T187-Y343 PolarHBondContact OG1-OH 3.37Å
188H98.3Very high97.8Very high21 Ų2129.6 Ų29.610%0.09715%0.151CC..Hα-helixtrans-66.8-41.6179.1-177.478.5000113.5R125 K134 D184 L185 L186R125-H188 HydrophobicContact CG-CB 4.38Å; R125-H188 PolarHBondContact NH1-ND1 3.39Å; K134-H188 VanDerWaalsContact CD-NE2 3.3Å; K134-H188 WeakPolarHBondContact CD-NE2 3.42Å; K134-H188 WeakPolarHBondContact CE-O 3.26Å; K134-H188 PolarHBondContact NZ-CE1 2.97Å; K134-H188 PolarHBondContact NZ-ND1 3.48Å; K134-H188 PolarHBondContact NZ-NE2 3.3Å; K134-H188 PolarHBondContact NZ-O 3.27Å; D184-H188 VanDerWaalsContact O-CB 3.31Å; D184-H188 WeakPolarHBondContact O-CB 3.42Å; D184-H188 PolarHBondContact O-N 3.06Å; L185-H188 PolarHBondContact O-N 2.99Å; L186-H188 VanDerWaalsContact C-N 3.34Å
189L98.3Very high97.9Very high4 Ų428.5 Ų28.52%0.02115%0.146CC..Hα-helixtrans-71.9-40.9-178.4-71.8173.7000112.1F130 M133 K134 I137 L185 L186 V251F130-L189 HydrophobicContact CB-CD2 4.49Å; F130-L189 HydrophobicContact CD1-CD1 4.18Å; M133-L189 HydrophobicContact CB-CD2 4.19Å; M133-L189 HydrophobicContact CG-CD2 4.17Å; M133-L189 HydrophobicContact SD-CD1 3.66Å; M133-L189 HydrophobicContact SD-CD2 4.19Å; K134-L189 HydrophobicContact CB-CD2 3.93Å; I137-L189 HydrophobicContact CD1-CB 4.24Å; L185-L189 HydrophobicContact CD1-CD1 3.95Å; L185-L189 HydrophobicContact CD1-CD2 4.44Å; L185-L189 HydrophobicContact CD1-CG 3.96Å; L185-L189 HydrophobicContact CG-CD1 3.81Å; L185-L189 HydrophobicContact CG-CG 4.25Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.17Å; L186-L189 PolarHBondContact O-N 2.99Å; L189-V251 HydrophobicContact CD1-CG1 4.19Å
190T97.4Very high98Very high16 Ų1631 Ų3110%0.09816%0.159CC..Hα-helixtrans-92.9-20.7-173.864.70000113.3V145 L186 R192V145-T190 HydrophobicContact CG1-CG2 4.06Å; L186-T190 WeakPolarHBondContact O-CB 3.45Å; L186-T190 VanDerWaalsContact O-CG2 3.32Å; L186-T190 WeakPolarHBondContact O-CG2 3.26Å; L186-T190 PolarHBondContact O-N 3.05Å; L186-T190 PolarHBondContact O-OG1 3.38Å; T190-R192 PolarHBondContact O-N 3.34Å; T190-R192 WeakPolarHBondContact OG1-CB 3.34Å; T190-R192 PolarHBondContact OG1-N 3.28Å
191G97Very high98.1Very high60 Ų6032.2 Ų32.262%0.61917%0.165SC*.  trans67.912.8-169.600000113.6T187T187-G191 WeakPolarHBondContact O-CA 3.3Å; T187-G191 PolarHBondContact O-N 2.87Å
192R97.3Very high98.1Very high72 Ų7236 Ų3627%0.27218%0.183SC..  trans-107.6150.9-177.5-53.8-51.6172.6-175.26.9110.7T187 T190 M229 S230 E231 V233T187-R192 WeakPolarHBondContact CA-O 3.47Å; T187-R192 WeakPolarHBondContact CG2-O 3.43Å; T190-R192 PolarHBondContact O-N 3.34Å; T190-R192 WeakPolarHBondContact OG1-CB 3.34Å; T190-R192 PolarHBondContact OG1-N 3.28Å; R192-M229 HydrophobicContact CB-CB 3.87Å; R192-M229 HydrophobicContact CB-CE 4.26Å; R192-M229 HydrophobicContact CB-SD 4.17Å; R192-M229 WeakPolarHBondContact O-CE 3.38Å; R192-S230 WeakPolarHBondContact CA-OG 3.47Å; R192-S230 WeakPolarHBondContact CB-OG 3.43Å; R192-S230 WeakPolarHBondContact CD-O 3.29Å; R192-S230 WeakPolarHBondContact CD-OG 3.24Å; R192-E231 IonicContact CZ-OE1 3.27Å; R192-E231 IonicContact CZ-OE2 2.63Å; R192-E231 IonicContact NE-OE2 2.82Å; R192-E231 IonicContact NH1-OE1 3.78Å; R192-E231 PolarHBondContact NH1-OE1 3.3Å; R192-E231 IonicContact NH1-OE2 3.67Å; R192-E231 PolarHBondContact NH1-OE2 3.47Å; R192-E231 IonicContact NH2-OE1 3.26Å; R192-E231 PolarHBondContact NH2-OE1 3.39Å; R192-E231 VanDerWaalsContact NH2-OE1 3.16Å; R192-E231 IonicContact NH2-OE2 3.78Å; R192-E231 PolarHBondContact NH2-OE2 3.01Å; R192-V233 HydrophobicContact CG-CG2 4.16Å
193K97.8Very high98Very high116 Ų11637.6 Ų37.650%0.50419%0.192SC..  trans-111.8147.8173.7-71.2-169.2175.6-173.70110.6T187 E195 M229 S230 Y343T187-K193 HydrophobicContact CG2-CG 4.16Å; K193-E195 PolarHBondContact O-N 2.92Å; K193-M229 CarbonylContact O-C 3.54Å; K193-M229 WeakPolarHBondContact O-CA 3.39Å; K193-M229 WeakPolarHBondContact O-CB 3.19Å; K193-S230 PolarHBondContact N-OG 2.85Å; K193-S230 PolarHBondContact O-N 2.92Å; K193-Y343 WeakPolarHBondContact CA-OH 3.38Å; K193-Y343 HydrophobicContact CB-CE2 3.91Å; K193-Y343 HydrophobicContact CD-CD2 4.12Å; K193-Y343 HydrophobicContact CD-CE2 4Å; K193-Y343 HydrophobicContact CG-CE2 3.98Å
194A98.3Very high97.7Very high7 Ų743.9 Ų43.96%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-65.3129.4173.400000110.1V197 M227 Y343 V347 V363A194-V197 HydrophobicContact CB-CG1 4.31Å; A194-M227 HydrophobicContact CB-CB 4.14Å; A194-M227 HydrophobicContact CB-CG 4.47Å; A194-M227 HydrophobicContact CB-SD 4.06Å; A194-Y343 PolarHBondContact N-OH 3.47Å; A194-V347 HydrophobicContact CB-CG2 4.26Å; A194-V363 HydrophobicContact CB-CG2 3.93Å; A194-V363 WeakPolarHBondContact O-CB 3.2Å
195E98.3Very high97.3Very high112 Ų11246 Ų4652%0.52323%0.232SC..EExtended strand (participates in β ladder)trans-97.4-40.7173.1-64.8-178.8163.400110.6K193 Q228 S230 A362 V363K193-E195 PolarHBondContact O-N 2.92Å; E195-Q228 PolarHBondContact N-O 3.39Å; E195-S230 WeakPolarHBondContact OE1-CA 3.1Å; E195-A362 WeakPolarHBondContact O-CA 3.27Å; E195-V363 PolarHBondContact O-N 2.9Å
196K98Very high96.8Very high104 Ų10452.1 Ų52.145%0.45226%0.259SS..EExtended strand (participates in β ladder)trans-139.8148.9177-61.1-177.4-178.7178.10111.6M227 Q228 W360 E361K196-M227 WeakPolarHBondContact O-CA 3.47Å; K196-Q228 HydrophobicContact CB-CB 4.48Å; K196-Q228 PolarHBondContact N-O 3.28Å; K196-Q228 PolarHBondContact O-N 3.49Å; K196-W360 HydrophobicContact CB-CE3 3.86Å; K196-W360 HydrophobicContact CB-CZ3 4.43Å; K196-E361 CarbonylContact C-O 3.48Å; K196-E361 VanDerWaalsContact CA-O 3.23Å; K196-E361 WeakPolarHBondContact CA-O 3.4Å
197V98.7Very high96.1Very high0 Ų056.2 Ų56.20%028%0.278CS..EExtended strand (participates in β ladder)trans-131.3149.6178.7-60.10000111.9A194 Q226 M227 V347 A350 I351 W360 E361 V363A194-V197 HydrophobicContact CB-CG1 4.31Å; V197-Q226 VanDerWaalsContact CA-O 3.26Å; V197-Q226 WeakPolarHBondContact CA-O 3.43Å; V197-M227 HydrophobicContact CG1-CB 4.25Å; V197-M227 HydrophobicContact CG1-CG 3.84Å; V197-V347 HydrophobicContact CG1-CG1 4.18Å; V197-A350 HydrophobicContact CG2-CB 3.54Å; V197-I351 HydrophobicContact CB-CG1 3.9Å; V197-I351 HydrophobicContact CG1-CG1 4.22Å; V197-I351 HydrophobicContact CG2-CG1 3.84Å; V197-W360 VanDerWaalsContact C-CE3 3.42Å; V197-W360 WeakPolarHBondContact O-CA 3.43Å; V197-E361 HydrophobicContact CG2-CB 4.28Å; V197-E361 PolarHBondContact N-O 3.14Å; V197-E361 PolarHBondContact O-N 2.7Å; V197-V363 HydrophobicContact CG1-CG2 3.7Å; V197-V363 HydrophobicContact CG2-CG2 4.42Å
198H98.7Very high95.2Very high49 Ų4958 Ų5823%0.22729%0.287CS..EExtended strand (participates in β ladder)trans-134.7137.2168.7-175-91.9000109.2F225 Q226 S354 G358 W360H198-F225 CarbonylContact O-C 3.56Å; H198-F225 WeakPolarHBondContact O-CA 3.44Å; H198-F225 WeakPolarHBondContact O-CB 3.35Å; H198-Q226 PolarHBondContact N-O 2.92Å; H198-Q226 PolarHBondContact O-N 3.48Å; H198-S354 VanDerWaalsContact CA-OG 3.27Å; H198-S354 WeakPolarHBondContact CA-OG 3.32Å; H198-G358 PolarHBondContact NE2-O 3.28Å; H198-W360 HydrophobicContact CB-CD2 3.65Å; H198-W360 HydrophobicContact CB-CE3 3.82Å; H198-W360 HydrophobicContact CB-CG 4.19Å; H198-W360 HydrophobicContact CB-CH2 3.99Å; H198-W360 HydrophobicContact CB-CZ2 3.82Å; H198-W360 HydrophobicContact CB-CZ3 3.99Å
199G97.9Very high94.2Very high3 Ų363.9 Ų63.93%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-166.5170179.900000115.6F224 S354 S355G199-F224 CarbonylContact C-O 3.42Å; G199-F224 VanDerWaalsContact CA-O 3.25Å; G199-F224 WeakPolarHBondContact CA-O 3.04Å; G199-S354 PolarHBondContact N-OG 2.92Å; G199-S354 VanDerWaalsContact N-OG 3.1Å; G199-S355 WeakPolarHBondContact O-CA 3.31Å; G199-S355 WeakPolarHBondContact O-CB 3.4Å; G199-S355 PolarHBondContact O-N 3.43Å
200L98.1Very high93.2Very high52 Ų5266.2 Ų66.227%0.27234%0.341SS..EExtended strand (participates in β ladder)trans-130.1132.7176.1-174.175.2000109.7K202 C223 F224L200-K202 HydrophobicContact CD2-CG 4.02Å; L200-K202 HydrophobicContact CG-CG 4.19Å; L200-C223 VanDerWaalsContact O-CA 3.26Å; L200-C223 WeakPolarHBondContact O-CA 3.38Å; L200-C223 PolarHBondContact O-SG 3.48Å; L200-C223 VanDerWaalsContact O-SG 3.35Å; L200-F224 HydrophobicContact CB-CD1 4.04Å; L200-F224 HydrophobicContact CB-CE1 3.52Å; L200-F224 HydrophobicContact CB-CE2 4.26Å; L200-F224 HydrophobicContact CB-CZ 3.63Å; L200-F224 HydrophobicContact CD2-CD1 4.36Å; L200-F224 HydrophobicContact CD2-CE1 3.51Å; L200-F224 HydrophobicContact CD2-CZ 4.08Å; L200-F224 HydrophobicContact CG-CE1 4.14Å; L200-F224 PolarHBondContact N-O 2.86Å; L200-F224 PolarHBondContact O-N 3.35Å; L200-F224 VanDerWaalsContact O-N 3.08Å
201L97.9Very high92.3Very high26 Ų2665.6 Ų65.614%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-113.3135.5170.5-79.377.8000108.7L175 D220 C223 I351 K352 S355L175-L201 HydrophobicContact CB-CD2 4.15Å; L175-L201 HydrophobicContact CD2-CD1 3.87Å; L175-L201 HydrophobicContact CD2-CD2 3.7Å; L175-L201 HydrophobicContact CD2-CG 4.21Å; L201-D220 HydrophobicContact CB-CB 4.06Å; L201-D220 HydrophobicContact CD2-CB 4.04Å; L201-D220 HydrophobicContact CG-CB 4.17Å; L201-C223 HydrophobicContact CG-CB 4.34Å; L201-I351 HydrophobicContact CD1-CG2 3.68Å; L201-K352 HydrophobicContact CD2-CG 4.1Å; L201-S355 PolarHBondContact N-OG 3.15Å
202K97.2Very high91.2Very high99 Ų9966.5 Ų66.543%0.4334%0.335SS..EExtended strand (participates in β ladder)trans-135.4141174.4-69.4-63-177.6-167.10111L200 F204 D220 D221 F222L200-K202 HydrophobicContact CD2-CG 4.02Å; L200-K202 HydrophobicContact CG-CG 4.19Å; K202-F204 HydrophobicContact CB-CD2 4.11Å; K202-F204 HydrophobicContact CB-CE2 3.69Å; K202-F204 HydrophobicContact CB-CZ 3.98Å; K202-F204 HydrophobicContact CG-CE2 4.36Å; K202-F204 HydrophobicContact CG-CZ 4.21Å; K202-D220 WeakPolarHBondContact O-CA 3.33Å; K202-D221 PolarHBondContact O-N 3.45Å; K202-F222 HydrophobicContact CB-CD1 4.41Å; K202-F222 PolarHBondContact N-O 2.87Å; K202-F222 PolarHBondContact O-N 3.11Å; K202-F222 VanDerWaalsContact O-N 3.13Å
203T96.1Very high90.1Very high33 Ų3365.4 Ų65.420%0.20235%0.345CS..  trans-109.399.4167-50.20000107.5K206 V217 T218 S219T203-K206 HydrophobicContact CG2-CG 4.08Å; T203-V217 HydrophobicContact CG2-CB 4.32Å; T203-V217 HydrophobicContact CG2-CG1 3.95Å; T203-T218 PolarHBondContact OG1-O 3.05Å; T203-S219 WeakPolarHBondContact CB-O 3.49Å; T203-S219 VanDerWaalsContact CG2-O 3.23Å; T203-S219 WeakPolarHBondContact CG2-O 3.48Å; T203-S219 VanDerWaalsContact OG1-C 3.31Å; T203-S219 PolarHBondContact OG1-O 2.93Å
204F93.7Very high89Confident133 Ų13367.6 Ų67.658%0.58336%0.361SS*.SBendtrans-80-39.1175.7-70.2-72.5000111.2K202 K206 D221 F222K202-F204 HydrophobicContact CB-CD2 4.11Å; K202-F204 HydrophobicContact CB-CE2 3.69Å; K202-F204 HydrophobicContact CB-CZ 3.98Å; K202-F204 HydrophobicContact CG-CE2 4.36Å; K202-F204 HydrophobicContact CG-CZ 4.21Å; F204-K206 PolarHBondContact O-N 2.93Å; F204-D221 WeakPolarHBondContact CD2-OD1 3.39Å; F204-D221 PolarHBondContact N-OD1 3.31Å; F204-D221 PolarHBondContact N-OD2 3.15Å; F204-F222 HydrophobicContact CD2-CB 3.77Å; F204-F222 HydrophobicContact CE2-CB 3.56Å; F204-F222 AromaticContact CE2-CD1 3.85Å; F204-F222 HydrophobicContact CE2-CD1 3.85Å; F204-F222 AromaticContact CE2-CG 3.83Å; F204-F222 HydrophobicContact CE2-CG 3.83Å
205V90.3Very high88Confident46 Ų4674.3 Ų74.328%0.27939%0.385SS..  trans-98.287.8-179.3-1730000110.2L158 Q207 N208 V217 D221L158-V205 HydrophobicContact CD1-CB 4.3Å; L158-V205 HydrophobicContact CD1-CG1 3.85Å; V205-Q207 WeakPolarHBondContact CG1-O 3.18Å; V205-N208 HydrophobicContact CG1-CB 4.49Å; V205-V217 WeakPolarHBondContact O-CB 3.26Å; V205-D221 WeakPolarHBondContact CB-OD2 3.34Å; V205-D221 PolarHBondContact N-OD2 3.39Å
206K87.5Confident87.3Confident131 Ų13173.5 Ų73.557%0.5738%0.381SS*.SBendtrans-80.1-22.9179-64-174178.4-1740114.1T203 F204 V217T203-K206 HydrophobicContact CG2-CG 4.08Å; F204-K206 PolarHBondContact O-N 2.93Å; K206-V217 PolarHBondContact O-N 3.2Å
207Q83.3Confident87Confident86 Ų8668.9 Ų68.940%0.40236%0.361SS..  trans-149.7154.6-179.8-71.9-174.6-18.600109.2V205 I211 G213 H216V205-Q207 WeakPolarHBondContact CG1-O 3.18Å; Q207-I211 CarbonylContact C-O 3.55Å; Q207-I211 VanDerWaalsContact CA-O 3.29Å; Q207-I211 WeakPolarHBondContact CA-O 3.46Å; Q207-I211 VanDerWaalsContact CB-O 3.31Å; Q207-I211 WeakPolarHBondContact CB-O 3.44Å; Q207-G213 PolarHBondContact NE2-O 3.23Å; Q207-H216 PolarHBondContact NE2-CE1 2.98Å; Q207-H216 PolarHBondContact NE2-ND1 2.69Å
208N78.5Confident86.7Confident47 Ų4772.1 Ų72.125%0.25138%0.381SS..  trans-141.9-177170.670.324.3000110.2V205 S210 I211V205-N208 HydrophobicContact CG1-CB 4.49Å; N208-S210 PolarHBondContact O-N 2.88Å; N208-S210 VanDerWaalsContact O-N 3.15Å; N208-S210 WeakPolarHBondContact OD1-CA 3.02Å; N208-S210 PolarHBondContact OD1-N 3.34Å; N208-I211 PolarHBondContact N-O 3.5Å; N208-I211 CarbonylContact O-C 3.28Å; N208-I211 VanDerWaalsContact O-C 3.28Å; N208-I211 PolarHBondContact O-N 3.28Å; N208-I211 WeakPolarHBondContact OD1-CB 3.29Å; N208-I211 PolarHBondContact OD1-N 3.48Å
209T77.8Confident86.5Confident145 Ų14570 Ų7089%0.8937%0.372SS*.SBendtrans-58.3-28.9-179.148.30000113.4
210S77.1Confident86.5Confident53 Ų5370.1 Ų70.137%0.37137%0.372SS..SBendtrans-96.8-17179.8-53.30000114.3H160 N208H160-S210 WeakPolarHBondContact O-CB 3.07Å; N208-S210 PolarHBondContact O-N 2.88Å; N208-S210 VanDerWaalsContact O-N 3.15Å; N208-S210 WeakPolarHBondContact OD1-CA 3.02Å; N208-S210 PolarHBondContact OD1-N 3.34Å
211I79.3Confident86.3Confident3 Ų368 Ų682%0.01536%0.361CS..SBendtrans-124.890.3-177.6-58.7172.1000107L158 Y162 Q207 N208 V217L158-I211 HydrophobicContact CB-CD1 4.48Å; Y162-I211 HydrophobicContact CD2-CD1 4.48Å; Y162-I211 HydrophobicContact CD2-CG2 3.73Å; Y162-I211 HydrophobicContact CE2-CG2 4.45Å; Q207-I211 CarbonylContact C-O 3.55Å; Q207-I211 VanDerWaalsContact CA-O 3.29Å; Q207-I211 WeakPolarHBondContact CA-O 3.46Å; Q207-I211 VanDerWaalsContact CB-O 3.31Å; Q207-I211 WeakPolarHBondContact CB-O 3.44Å; N208-I211 PolarHBondContact N-O 3.5Å; N208-I211 CarbonylContact O-C 3.28Å; N208-I211 VanDerWaalsContact O-C 3.28Å; N208-I211 PolarHBondContact O-N 3.28Å; N208-I211 WeakPolarHBondContact OD1-CB 3.29Å; N208-I211 PolarHBondContact OD1-N 3.48Å; I211-V217 HydrophobicContact CD1-CG2 4.31Å; I211-V217 HydrophobicContact CG2-CG2 4.15Å
212S73.8Confident86.3Confident80 Ų8069 Ų6956%0.55936%0.364SS*.  trans-136.7168.9-176.3640000111.6
213G74.9Confident86.3Confident48 Ų4864.2 Ų64.250%0.49534%0.343SS..THydrogen-bonded Turntrans78-135.7-178.700000112.6Q207 R215Q207-G213 PolarHBondContact NE2-O 3.23Å; G213-R215 VanDerWaalsContact C-N 3.26Å; G213-R215 PolarHBondContact O-N 3.12Å
214I74.4Confident86.4Confident163 Ų16366.1 Ų66.184%0.83635%0.349SS*.THydrogen-bonded Turntrans-72.6-13.5-172.163170.4000114.6
215R76.1Confident86.7Confident147 Ų14759.8 Ų59.856%0.55532%0.321SS*.  trans-93.6114.6179.3-69.1-174179.5173.30.2109.3Y162 G213Y162-R215 HydrophobicContact CD2-CB 3.94Å; Y162-R215 HydrophobicContact CE2-CB 4.07Å; Y162-R215 HydrophobicContact CG-CB 4.37Å; G213-R215 VanDerWaalsContact C-N 3.26Å; G213-R215 PolarHBondContact O-N 3.12Å
216H84.3Confident87Confident96 Ų9661.4 Ų61.444%0.44433%0.326SS..  trans-107.4143.4175.4-64.5-79000110.3Q207Q207-H216 PolarHBondContact NE2-CE1 2.98Å; Q207-H216 PolarHBondContact NE2-ND1 2.69Å
217V90.8Very high87.6Confident7 Ų755.2 Ų55.24%0.04230%0.299CS..  trans-72.9124.1167.8-178.90000107.5L158 C166 T203 V205 K206 I211 S219L158-V217 HydrophobicContact CD1-CG1 4.46Å; L158-V217 HydrophobicContact CD1-CG2 3.88Å; L158-V217 HydrophobicContact CD2-CG1 3.97Å; L158-V217 HydrophobicContact CD2-CG2 4.11Å; C166-V217 HydrophobicContact CB-CG1 4.49Å; C166-V217 HydrophobicContact CB-CG2 4.26Å; C166-V217 WeakPolarHBondContact O-CA 3.29Å; T203-V217 HydrophobicContact CG2-CB 4.32Å; T203-V217 HydrophobicContact CG2-CG1 3.95Å; V205-V217 WeakPolarHBondContact O-CB 3.26Å; K206-V217 PolarHBondContact O-N 3.2Å; I211-V217 HydrophobicContact CD1-CG2 4.31Å; I211-V217 HydrophobicContact CG2-CG2 4.15Å; V217-S219 VanDerWaalsContact CG1-OG 3.3Å; V217-S219 WeakPolarHBondContact CG1-OG 3.47Å
218T93.1Very high88.3Confident68 Ų6854.9 Ų54.942%0.41730%0.297SS..  trans-107.7-21.6176.758.60000111.9C166 D167 E168 T203C166-T218 PolarHBondContact O-N 3.31Å; D167-T218 WeakPolarHBondContact CA-OG1 3.34Å; E168-T218 PolarHBondContact N-OG1 3.09Å; E168-T218 VanDerWaalsContact N-OG1 3.08Å; T203-T218 PolarHBondContact OG1-O 3.05Å
219S94.8Very high89.2Confident3 Ų352.7 Ų52.72%0.02129%0.285CS..SBendtrans-67.2151.6177.160.80000113.2I165 C166 T203 V217I165-S219 VanDerWaalsContact O-CB 3.25Å; I165-S219 WeakPolarHBondContact O-CB 3.31Å; I165-S219 PolarHBondContact O-OG 2.79Å; C166-S219 VanDerWaalsContact C-OG 3.3Å; C166-S219 WeakPolarHBondContact CA-OG 3.35Å; C166-S219 PolarHBondContact O-N 2.98Å; C166-S219 PolarHBondContact O-OG 3.48Å; T203-S219 WeakPolarHBondContact CB-O 3.49Å; T203-S219 VanDerWaalsContact CG2-O 3.23Å; T203-S219 WeakPolarHBondContact CG2-O 3.48Å; T203-S219 VanDerWaalsContact OG1-C 3.31Å; T203-S219 PolarHBondContact OG1-O 2.93Å; V217-S219 VanDerWaalsContact CG1-OG 3.3Å; V217-S219 WeakPolarHBondContact CG1-OG 3.47Å
220D96.8Very high90.1Very high6 Ų647 Ų473%0.03225%0.252CS..  trans-73.4140.6176.664.4-69.6000112.9G173 G174 L175 L201 K202G173-D220 CarbonylContact C-O 3.45Å; G173-D220 WeakPolarHBondContact CA-O 3.37Å; G174-D220 WeakPolarHBondContact CA-OD2 3.17Å; G174-D220 PolarHBondContact N-O 3.33Å; G174-D220 PolarHBondContact N-OD1 2.84Å; G174-D220 PolarHBondContact N-OD2 3.27Å; G174-D220 VanDerWaalsContact N-OD2 3.15Å; L175-D220 PolarHBondContact N-OD2 3.08Å; L201-D220 HydrophobicContact CB-CB 4.06Å; L201-D220 HydrophobicContact CD2-CB 4.04Å; L201-D220 HydrophobicContact CG-CB 4.17Å; K202-D220 WeakPolarHBondContact O-CA 3.33Å
221D95.7Very high90.9Very high9 Ų951.6 Ų51.65%0.04827%0.267CS..SBendtrans-111.8-7.3168.457.528.3000112.3K202 F204 V205 F241 N242K202-D221 PolarHBondContact O-N 3.45Å; F204-D221 WeakPolarHBondContact CD2-OD1 3.39Å; F204-D221 PolarHBondContact N-OD1 3.31Å; F204-D221 PolarHBondContact N-OD2 3.15Å; V205-D221 WeakPolarHBondContact CB-OD2 3.34Å; V205-D221 PolarHBondContact N-OD2 3.39Å; D221-F241 WeakPolarHBondContact O-CB 3.4Å; D221-F241 PolarHBondContact O-N 3.38Å; D221-N242 PolarHBondContact O-ND2 3.24Å; D221-N242 PolarHBondContact OD1-ND2 3.41Å
222F97.6Very high91.5Very high45 Ų4554.3 Ų54.320%0.19730%0.296CS..EExtended strand (participates in β ladder)trans-141.2131.2171.4178.1-99.9000109.8K202 F204 F224 T238 L239 N240K202-F222 HydrophobicContact CB-CD1 4.41Å; K202-F222 PolarHBondContact N-O 2.87Å; K202-F222 PolarHBondContact O-N 3.11Å; K202-F222 VanDerWaalsContact O-N 3.13Å; F204-F222 HydrophobicContact CD2-CB 3.77Å; F204-F222 HydrophobicContact CE2-CB 3.56Å; F204-F222 AromaticContact CE2-CD1 3.85Å; F204-F222 HydrophobicContact CE2-CD1 3.85Å; F204-F222 AromaticContact CE2-CG 3.83Å; F204-F222 HydrophobicContact CE2-CG 3.83Å; F222-F224 AromaticContact CE1-CD1 3.84Å; F222-F224 HydrophobicContact CE1-CD1 3.84Å; F222-F224 HydrophobicContact CE1-CE1 4.46Å; F222-F224 HydrophobicContact CZ-CD1 4.17Å; F222-T238 HydrophobicContact CE2-CG2 4.06Å; F222-T238 HydrophobicContact CZ-CG2 4.44Å; F222-L239 WeakPolarHBondContact CA-O 3.26Å; F222-N240 HydrophobicContact CD2-CB 3.98Å; F222-N240 HydrophobicContact CE2-CB 4.28Å
223C97.6Very high92.7Very high0 Ų050.7 Ų50.70%027%0.271CS..EExtended strand (participates in β ladder)trans-143.7139.1175.3179.30000110L200 L201 L239L200-C223 VanDerWaalsContact O-CA 3.26Å; L200-C223 WeakPolarHBondContact O-CA 3.38Å; L200-C223 PolarHBondContact O-SG 3.48Å; L200-C223 VanDerWaalsContact O-SG 3.35Å; L201-C223 HydrophobicContact CG-CB 4.34Å; C223-L239 HydrophobicContact CB-CB 4.41Å; C223-L239 PolarHBondContact N-O 2.96Å; C223-L239 PolarHBondContact O-N 3.35Å
224F97.6Very high93.8Very high73 Ų7351.4 Ų51.432%0.3227%0.267SS..EExtended strand (participates in β ladder)trans-128.5145.3159.571.8-95000109.3G199 L200 F222 V237G199-F224 CarbonylContact C-O 3.42Å; G199-F224 VanDerWaalsContact CA-O 3.25Å; G199-F224 WeakPolarHBondContact CA-O 3.04Å; L200-F224 HydrophobicContact CB-CD1 4.04Å; L200-F224 HydrophobicContact CB-CE1 3.52Å; L200-F224 HydrophobicContact CB-CE2 4.26Å; L200-F224 HydrophobicContact CB-CZ 3.63Å; L200-F224 HydrophobicContact CD2-CD1 4.36Å; L200-F224 HydrophobicContact CD2-CE1 3.51Å; L200-F224 HydrophobicContact CD2-CZ 4.08Å; L200-F224 HydrophobicContact CG-CE1 4.14Å; L200-F224 PolarHBondContact N-O 2.86Å; L200-F224 PolarHBondContact O-N 3.35Å; L200-F224 VanDerWaalsContact O-N 3.08Å; F222-F224 AromaticContact CE1-CD1 3.84Å; F222-F224 HydrophobicContact CE1-CD1 3.84Å; F222-F224 HydrophobicContact CE1-CE1 4.46Å; F222-F224 HydrophobicContact CZ-CD1 4.17Å; F224-V237 CarbonylContact C-O 3.46Å; F224-V237 WeakPolarHBondContact CA-O 3.19Å
225F98.6Very high94.9Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-150.2156.8176.561.7-89.1000111.2L175 I183 H198 M227 V237 L239 I351L175-F225 HydrophobicContact CD1-CD1 4.04Å; L175-F225 HydrophobicContact CD1-CE1 3.8Å; L175-F225 HydrophobicContact CD1-CZ 4.46Å; I183-F225 HydrophobicContact CD1-CZ 4.47Å; I183-F225 HydrophobicContact CG1-CE2 4.25Å; I183-F225 HydrophobicContact CG1-CZ 4.2Å; H198-F225 CarbonylContact O-C 3.56Å; H198-F225 WeakPolarHBondContact O-CA 3.44Å; H198-F225 WeakPolarHBondContact O-CB 3.35Å; F225-M227 HydrophobicContact CD2-CG 3.9Å; F225-M227 HydrophobicContact CD2-SD 4.37Å; F225-M227 HydrophobicContact CE2-CE 4.26Å; F225-M227 HydrophobicContact CE2-CG 4.05Å; F225-M227 HydrophobicContact CE2-SD 3.94Å; F225-V237 HydrophobicContact CD1-CB 4.05Å; F225-V237 HydrophobicContact CD1-CG1 4.36Å; F225-V237 HydrophobicContact CD2-CB 4.12Å; F225-V237 HydrophobicContact CD2-CG2 4.19Å; F225-V237 HydrophobicContact CE1-CB 3.62Å; F225-V237 HydrophobicContact CE1-CG1 3.56Å; F225-V237 HydrophobicContact CE1-CG2 4.3Å; F225-V237 HydrophobicContact CE2-CB 3.69Å; F225-V237 HydrophobicContact CE2-CG1 4.3Å; F225-V237 HydrophobicContact CE2-CG2 3.51Å; F225-V237 HydrophobicContact CG-CB 4.3Å; F225-V237 HydrophobicContact CZ-CB 3.43Å; F225-V237 VanDerWaalsContact CZ-CB 3.43Å; F225-V237 HydrophobicContact CZ-CG1 3.54Å; F225-V237 HydrophobicContact CZ-CG2 3.59Å; F225-V237 PolarHBondContact N-O 3.32Å; F225-V237 PolarHBondContact O-N 2.89Å; F225-L239 HydrophobicContact CE1-CD1 4.18Å; F225-L239 HydrophobicContact CE1-CG 4.49Å; F225-I351 HydrophobicContact CB-CD1 4.18Å; F225-I351 HydrophobicContact CB-CG1 4.27Å; F225-I351 HydrophobicContact CB-CG2 4.01Å; F225-I351 HydrophobicContact CD1-CD1 4.14Å; F225-I351 HydrophobicContact CD2-CD1 3.52Å; F225-I351 HydrophobicContact CD2-CG1 4.34Å; F225-I351 HydrophobicContact CE1-CD1 4.38Å; F225-I351 HydrophobicContact CE2-CD1 3.81Å; F225-I351 HydrophobicContact CG-CD1 3.69Å; F225-I351 HydrophobicContact CG-CG1 4.32Å; F225-I351 HydrophobicContact CG-CG2 4.41Å; F225-I351 HydrophobicContact CZ-CD1 4.22Å
226Q98.6Very high96Very high80 Ų8038.8 Ų38.837%0.37422%0.215SC..EExtended strand (participates in β ladder)trans-117.8144.8174.9-64.7179.5-23.800109V197 H198 C235 T236 W360V197-Q226 VanDerWaalsContact CA-O 3.26Å; V197-Q226 WeakPolarHBondContact CA-O 3.43Å; H198-Q226 PolarHBondContact N-O 2.92Å; H198-Q226 PolarHBondContact O-N 3.48Å; Q226-C235 CarbonylContact C-O 3.47Å; Q226-C235 WeakPolarHBondContact CA-O 3.4Å; Q226-T236 HydrophobicContact CG-CG2 4.46Å; Q226-W360 HydrophobicContact CB-CH2 3.93Å
227M98.6Very high96.7Very high1 Ų134.2 Ų34.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-127.3129.2172.6-49.7-173.7-70.200108.8I183 L186 A194 K196 V197 F225 M229 C235 V347I183-M227 HydrophobicContact CG1-SD 4.22Å; L186-M227 HydrophobicContact CD1-CE 3.63Å; A194-M227 HydrophobicContact CB-CB 4.14Å; A194-M227 HydrophobicContact CB-CG 4.47Å; A194-M227 HydrophobicContact CB-SD 4.06Å; K196-M227 WeakPolarHBondContact O-CA 3.47Å; V197-M227 HydrophobicContact CG1-CB 4.25Å; V197-M227 HydrophobicContact CG1-CG 3.84Å; F225-M227 HydrophobicContact CD2-CG 3.9Å; F225-M227 HydrophobicContact CD2-SD 4.37Å; F225-M227 HydrophobicContact CE2-CE 4.26Å; F225-M227 HydrophobicContact CE2-CG 4.05Å; F225-M227 HydrophobicContact CE2-SD 3.94Å; M227-M229 HydrophobicContact CB-CG 4.42Å; M227-C235 HydrophobicContact CB-CB 4.17Å; M227-C235 HydrophobicContact CE-CB 3.84Å; M227-C235 PolarHBondContact N-O 3.45Å; M227-C235 PolarHBondContact O-N 2.78Å; M227-V347 HydrophobicContact SD-CG1 3.92Å
228Q98.3Very high97.1Very high78 Ų7835.2 Ų35.236%0.36420%0.2SC..EExtended strand (participates in β ladder)trans-89.4110.9160.9-70177.35.900106.5E195 K196 W360E195-Q228 PolarHBondContact N-O 3.39Å; K196-Q228 HydrophobicContact CB-CB 4.48Å; K196-Q228 PolarHBondContact N-O 3.28Å; K196-Q228 PolarHBondContact O-N 3.49Å; Q228-W360 HydrophobicContact CB-CZ3 4.43Å; Q228-W360 HydrophobicContact CG-CH2 3.9Å; Q228-W360 HydrophobicContact CG-CZ3 3.75Å
229M97.7Very high97.3Very high1 Ų132 Ų321%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-93.2160.6177.1-44.4-172.389.600110.9R192 K193 M227 G232 V233 C235R192-M229 HydrophobicContact CB-CB 3.87Å; R192-M229 HydrophobicContact CB-CE 4.26Å; R192-M229 HydrophobicContact CB-SD 4.17Å; R192-M229 WeakPolarHBondContact O-CE 3.38Å; K193-M229 CarbonylContact O-C 3.54Å; K193-M229 WeakPolarHBondContact O-CA 3.39Å; K193-M229 WeakPolarHBondContact O-CB 3.19Å; M227-M229 HydrophobicContact CB-CG 4.42Å; M229-G232 PolarHBondContact O-N 3.37Å; M229-G232 VanDerWaalsContact O-N 3.08Å; M229-V233 HydrophobicContact CB-CB 4.18Å; M229-V233 PolarHBondContact N-O 3.25Å; M229-V233 PolarHBondContact O-N 3.09Å; M229-V233 HydrophobicContact SD-CG1 4.4Å; M229-C235 PolarHBondContact SD-SG 3.39Å
230S96.3Very high97.4Very high27 Ų2733.6 Ų33.619%0.18919%0.188CC..G310 helixtrans-48.6143.5173.659.30000111.7R192 K193 E195 G232R192-S230 WeakPolarHBondContact CA-OG 3.47Å; R192-S230 WeakPolarHBondContact CB-OG 3.43Å; R192-S230 WeakPolarHBondContact CD-O 3.29Å; R192-S230 WeakPolarHBondContact CD-OG 3.24Å; K193-S230 PolarHBondContact N-OG 2.85Å; K193-S230 PolarHBondContact O-N 2.92Å; E195-S230 WeakPolarHBondContact OE1-CA 3.1Å; S230-G232 PolarHBondContact O-N 3.08Å
231E93.8Very high97.4Very high148 Ų14833.5 Ų33.569%0.69219%0.187SC*.G310 helixtrans64.821.3-172.5-55.9-169.6-161.600114.8R192 V233R192-E231 IonicContact CZ-OE1 3.27Å; R192-E231 IonicContact CZ-OE2 2.63Å; R192-E231 IonicContact NE-OE2 2.82Å; R192-E231 IonicContact NH1-OE1 3.78Å; R192-E231 PolarHBondContact NH1-OE1 3.3Å; R192-E231 IonicContact NH1-OE2 3.67Å; R192-E231 PolarHBondContact NH1-OE2 3.47Å; R192-E231 IonicContact NH2-OE1 3.26Å; R192-E231 PolarHBondContact NH2-OE1 3.39Å; R192-E231 VanDerWaalsContact NH2-OE1 3.16Å; R192-E231 IonicContact NH2-OE2 3.78Å; R192-E231 PolarHBondContact NH2-OE2 3.01Å; E231-V233 VanDerWaalsContact C-N 3.34Å; E231-V233 PolarHBondContact O-N 3.31Å
232G92.8Very high97.2Very high61 Ų6136.2 Ų36.263%0.62920%0.202SC*.G310 helixtrans78.313.5168.800000114.9M229 S230 C234M229-G232 PolarHBondContact O-N 3.37Å; M229-G232 VanDerWaalsContact O-N 3.08Å; S230-G232 PolarHBondContact O-N 3.08Å; G232-C234 PolarHBondContact O-N 3.32Å
233V97.8Very high97Very high3 Ų336 Ų362%0.01820%0.202CC..  trans-70.1126.4174.5178.40000109.5V145 R192 M229 E231V145-V233 HydrophobicContact CB-CG2 4.38Å; V145-V233 HydrophobicContact CG1-CG1 3.86Å; V145-V233 HydrophobicContact CG1-CG2 4.17Å; V145-V233 WeakPolarHBondContact O-CG2 3.36Å; R192-V233 HydrophobicContact CG-CG2 4.16Å; M229-V233 HydrophobicContact CB-CB 4.18Å; M229-V233 PolarHBondContact N-O 3.25Å; M229-V233 PolarHBondContact O-N 3.09Å; M229-V233 HydrophobicContact SD-CG1 4.4Å; E231-V233 VanDerWaalsContact C-N 3.34Å; E231-V233 PolarHBondContact O-N 3.31Å
234C98.3Very high96.5Very high63 Ų6341.5 Ų41.543%0.42624%0.238SC..EExtended strand (participates in β ladder)trans-100.5131.1178.6-70.20000110.8L146 I147 C148 G232L146-C234 PolarHBondContact O-N 3.01Å; I147-C234 CarbonylContact C-O 3.59Å; I147-C234 VanDerWaalsContact CA-O 3.28Å; I147-C234 WeakPolarHBondContact CA-O 3.5Å; C148-C234 PolarHBondContact N-O 3.48Å; G232-C234 PolarHBondContact O-N 3.32Å
235C98.6Very high95.9Very high1 Ų141.3 Ų41.31%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-116.1138.9173.8-57.50000111C148 L186 Q226 M227 M229C148-C235 HydrophobicContact CB-CB 4.24Å; C148-C235 CarbonylContact O-C 3.54Å; C148-C235 VanDerWaalsContact O-CA 3.29Å; C148-C235 WeakPolarHBondContact O-CA 3.21Å; L186-C235 HydrophobicContact CD1-CB 4.07Å; Q226-C235 CarbonylContact C-O 3.47Å; Q226-C235 WeakPolarHBondContact CA-O 3.4Å; M227-C235 HydrophobicContact CB-CB 4.17Å; M227-C235 HydrophobicContact CE-CB 3.84Å; M227-C235 PolarHBondContact N-O 3.45Å; M227-C235 PolarHBondContact O-N 2.78Å; M229-C235 PolarHBondContact SD-SG 3.39Å
236T98.6Very high95.3Very high45 Ų4546.1 Ų46.128%0.27629%0.29SS..EExtended strand (participates in β ladder)trans-122.6131.6167.2-590000108.9C148 D149 V150 Q226C148-T236 PolarHBondContact O-N 2.93Å; D149-T236 WeakPolarHBondContact CA-O 3.49Å; V150-T236 PolarHBondContact N-O 3.41Å; Q226-T236 HydrophobicContact CG-CG2 4.46Å
237V98.8Very high95Very high0 Ų045.4 Ų45.40%029%0.286CS..EExtended strand (participates in β ladder)trans-129.5130.7-179-1760000108.9V150 I182 L186 F224 F225 L239V150-V237 HydrophobicContact CB-CB 4.44Å; V150-V237 HydrophobicContact CB-CG1 4.18Å; V150-V237 HydrophobicContact CB-CG2 4.12Å; V150-V237 HydrophobicContact CG1-CG1 4.3Å; V150-V237 HydrophobicContact CG2-CG2 4.4Å; V150-V237 WeakPolarHBondContact O-CA 3.27Å; I182-V237 HydrophobicContact CB-CG1 4.48Å; I182-V237 HydrophobicContact CG2-CG1 3.88Å; I182-V237 HydrophobicContact CG2-CG2 3.8Å; L186-V237 HydrophobicContact CD1-CG2 4.07Å; F224-V237 CarbonylContact C-O 3.46Å; F224-V237 WeakPolarHBondContact CA-O 3.19Å; F225-V237 HydrophobicContact CD1-CB 4.05Å; F225-V237 HydrophobicContact CD1-CG1 4.36Å; F225-V237 HydrophobicContact CD2-CB 4.12Å; F225-V237 HydrophobicContact CD2-CG2 4.19Å; F225-V237 HydrophobicContact CE1-CB 3.62Å; F225-V237 HydrophobicContact CE1-CG1 3.56Å; F225-V237 HydrophobicContact CE1-CG2 4.3Å; F225-V237 HydrophobicContact CE2-CB 3.69Å; F225-V237 HydrophobicContact CE2-CG1 4.3Å; F225-V237 HydrophobicContact CE2-CG2 3.51Å; F225-V237 HydrophobicContact CG-CB 4.3Å; F225-V237 HydrophobicContact CZ-CB 3.43Å; F225-V237 VanDerWaalsContact CZ-CB 3.43Å; F225-V237 HydrophobicContact CZ-CG1 3.54Å; F225-V237 HydrophobicContact CZ-CG2 3.59Å; F225-V237 PolarHBondContact N-O 3.32Å; F225-V237 PolarHBondContact O-N 2.89Å; V237-L239 HydrophobicContact CG1-CD2 3.77Å; V237-L239 HydrophobicContact CG1-CG 4.1Å
238T98.7Very high94.8Very high28 Ų2848.2 Ų48.217%0.17230%0.3CS..EExtended strand (participates in β ladder)trans-121.9124170.4-53.70000110V150 V152 Y153 F222V150-T238 PolarHBondContact O-N 2.87Å; V152-T238 PolarHBondContact N-O 2.86Å; Y153-T238 HydrophobicContact CE1-CG2 3.73Å; F222-T238 HydrophobicContact CE2-CG2 4.06Å; F222-T238 HydrophobicContact CZ-CG2 4.44Å
239L98.4Very high94.8Very high0 Ų044.8 Ų44.80%028%0.284CS..EExtended strand (participates in β ladder)trans-114118.5176.3-50179.4000108.2V152 G174 M178 I182 F222 C223 F225 V237 F241V152-L239 HydrophobicContact CB-CD2 3.72Å; V152-L239 HydrophobicContact CG2-CD2 3.87Å; V152-L239 WeakPolarHBondContact O-CA 3.41Å; G174-L239 WeakPolarHBondContact O-CD1 3.49Å; M178-L239 HydrophobicContact CB-CD2 4.48Å; I182-L239 HydrophobicContact CG1-CD2 4.43Å; F222-L239 WeakPolarHBondContact CA-O 3.26Å; C223-L239 HydrophobicContact CB-CB 4.41Å; C223-L239 PolarHBondContact N-O 2.96Å; C223-L239 PolarHBondContact O-N 3.35Å; F225-L239 HydrophobicContact CE1-CD1 4.18Å; F225-L239 HydrophobicContact CE1-CG 4.49Å; V237-L239 HydrophobicContact CG1-CD2 3.77Å; V237-L239 HydrophobicContact CG1-CG 4.1Å; L239-F241 HydrophobicContact CB-CE2 3.84Å; L239-F241 HydrophobicContact CB-CZ 4.32Å
240N97.3Very high94.8Very high37 Ų3747.3 Ų47.320%0.19830%0.296CS..EExtended strand (participates in β ladder)trans-133.5109-176.7-177.45.2000111.5V152 Y153 G154 F222 N242V152-N240 PolarHBondContact O-N 2.96Å; Y153-N240 CarbonylContact C-O 3.58Å; Y153-N240 VanDerWaalsContact CA-O 3.24Å; Y153-N240 WeakPolarHBondContact CA-O 3.49Å; Y153-N240 HydrophobicContact CD1-CB 3.49Å; Y153-N240 VanDerWaalsContact CD1-CB 3.49Å; Y153-N240 HydrophobicContact CE1-CB 3.99Å; Y153-N240 HydrophobicContact CG-CB 4.17Å; G154-N240 PolarHBondContact N-O 2.94Å; F222-N240 HydrophobicContact CD2-CB 3.98Å; F222-N240 HydrophobicContact CE2-CB 4.28Å; N240-N242 WeakPolarHBondContact OD1-CB 3.31Å; N240-N242 PolarHBondContact OD1-N 3.49Å
241F95.6Very high94.9Very high3 Ų346 Ų461%0.01329%0.287CS..SBendtrans-104.822.6179.7-56.6-73.5000113V152 G154 G155 S156 L157 M178 D221 L239V152-F241 HydrophobicContact CG1-CZ 4.45Å; G154-F241 CarbonylContact O-C 3.56Å; G154-F241 WeakPolarHBondContact O-CA 3.26Å; G155-F241 CarbonylContact C-O 3.55Å; G155-F241 VanDerWaalsContact C-O 3.24Å; S156-F241 VanDerWaalsContact CA-O 3.26Å; S156-F241 WeakPolarHBondContact CA-O 2.98Å; S156-F241 PolarHBondContact N-O 3Å; L157-F241 HydrophobicContact CD1-CB 4.22Å; L157-F241 HydrophobicContact CD1-CD1 4.15Å; L157-F241 HydrophobicContact CD1-CD2 3.5Å; L157-F241 HydrophobicContact CD1-CE1 4.48Å; L157-F241 HydrophobicContact CD1-CE2 3.89Å; L157-F241 HydrophobicContact CD1-CG 3.66Å; L157-F241 HydrophobicContact CD1-CZ 4.38Å; L157-F241 HydrophobicContact CD2-CD1 3.56Å; L157-F241 HydrophobicContact CD2-CD2 4.44Å; L157-F241 HydrophobicContact CD2-CE1 3.85Å; L157-F241 HydrophobicContact CD2-CG 3.9Å; L157-F241 HydrophobicContact CD2-CZ 4.42Å; L157-F241 HydrophobicContact CG-CB 3.78Å; L157-F241 HydrophobicContact CG-CD1 3.7Å; L157-F241 HydrophobicContact CG-CD2 3.91Å; L157-F241 HydrophobicContact CG-CE1 4.33Å; L157-F241 HydrophobicContact CG-CG 3.48Å; L157-F241 VanDerWaalsContact CG-CG 3.48Å; M178-F241 HydrophobicContact CB-CZ 3.87Å; M178-F241 HydrophobicContact CG-CE1 3.98Å; M178-F241 HydrophobicContact CG-CE2 4.49Å; M178-F241 HydrophobicContact CG-CZ 3.5Å; D221-F241 WeakPolarHBondContact O-CB 3.4Å; D221-F241 PolarHBondContact O-N 3.38Å; L239-F241 HydrophobicContact CB-CE2 3.84Å; L239-F241 HydrophobicContact CB-CZ 4.32Å
242N92.4Very high95.2Very high66 Ų6641 Ų4135%0.35326%0.264SS..  trans-108.38.8175.5-62.9-77.7000112D221 N240D221-N242 PolarHBondContact O-ND2 3.24Å; D221-N242 PolarHBondContact OD1-ND2 3.41Å; N240-N242 WeakPolarHBondContact OD1-CB 3.31Å; N240-N242 PolarHBondContact OD1-N 3.49Å
243M92.2Very high95.4Very high41 Ų4138.1 Ų38.120%0.20223%0.234CC..  trans-94121.9-174.2-169.6-174.174.300111.2Y153 G154 G155 S246 I248Y153-M243 VanDerWaalsContact CB-CE 3.45Å; Y153-M243 VanDerWaalsContact CB-SD 3.56Å; Y153-M243 HydrophobicContact CD2-SD 3.88Å; Y153-M243 HydrophobicContact CG-SD 4.14Å; G154-M243 CarbonylContact C-O 3.17Å; G154-M243 PolarHBondContact O-N 2.89Å; G155-M243 WeakPolarHBondContact CA-O 3.43Å; G155-M243 PolarHBondContact N-O 3.26Å; M243-S246 WeakPolarHBondContact CE-O 3.1Å; M243-I248 HydrophobicContact CE-CD1 3.71Å; M243-I248 HydrophobicContact CE-CG1 3.93Å; M243-I248 HydrophobicContact SD-CD1 4.07Å
244P87.1Confident95.5Very high116 Ų11639.9 Ų39.975%0.75325%0.245SC*.  trans-72.9154.817231.2-34.3000111.3
245G85.1Confident95.5Very high69 Ų6937.1 Ų37.171%0.71123%0.227SC*.SBendtrans97.1-147.117500000113.3
246S86.4Confident95.5Very high100 Ų10039.8 Ų39.870%0.69925%0.246SC*.SBendtrans-73.7141.6-171.1-55.50000111.9M243 I248M243-S246 WeakPolarHBondContact CE-O 3.1Å; S246-I248 PolarHBondContact O-N 3.04Å
247F92.1Very high95.4Very high65 Ų6540.5 Ų40.529%0.28525%0.25SC..  trans-64.7126.8171.5-174.2-97.3000110.5V152 Y153 M178 H249 P300 L302 Y303V152-F247 HydrophobicContact CG1-CE1 4.43Å; V152-F247 HydrophobicContact CG1-CE2 3.96Å; V152-F247 HydrophobicContact CG1-CZ 3.55Å; Y153-F247 CarbonylContact O-C 3.24Å; Y153-F247 WeakPolarHBondContact O-CA 3.45Å; Y153-F247 WeakPolarHBondContact O-CD2 3.42Å; M178-F247 HydrophobicContact CE-CE2 4.44Å; M178-F247 HydrophobicContact CE-CZ 4.42Å; F247-H249 HydrophobicContact CD1-CB 4.33Å; F247-H249 HydrophobicContact CE1-CB 3.75Å; F247-P300 HydrophobicContact CB-CB 4.41Å; F247-P300 HydrophobicContact CD1-CB 3.48Å; F247-P300 VanDerWaalsContact CD1-CB 3.48Å; F247-P300 HydrophobicContact CD1-CG 3.86Å; F247-P300 HydrophobicContact CD2-CB 4.32Å; F247-P300 HydrophobicContact CD2-CG 3.82Å; F247-P300 HydrophobicContact CE1-CB 3.67Å; F247-P300 HydrophobicContact CE1-CG 3.83Å; F247-P300 HydrophobicContact CE2-CG 3.81Å; F247-P300 HydrophobicContact CG-CB 3.83Å; F247-P300 HydrophobicContact CG-CG 3.84Å; F247-P300 HydrophobicContact CZ-CB 4.19Å; F247-P300 HydrophobicContact CZ-CG 3.82Å; F247-L302 HydrophobicContact CD1-CD2 4.21Å; F247-L302 HydrophobicContact CE1-CD2 3.76Å; F247-Y303 HydrophobicContact CE1-CE2 4.14Å; F247-Y303 HydrophobicContact CZ-CE2 4.03Å
248I95.2Very high95.4Very high61 Ų6140.6 Ų40.631%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-108.7131.2177-63.1175.1000108V152 Y153 M243 S246 E250V152-I248 CarbonylContact C-O 3.57Å; V152-I248 VanDerWaalsContact CA-O 3.31Å; V152-I248 WeakPolarHBondContact CA-O 3.27Å; Y153-I248 HydrophobicContact CD2-CD1 4.29Å; Y153-I248 PolarHBondContact N-O 3.31Å; Y153-I248 PolarHBondContact O-N 3.39Å; M243-I248 HydrophobicContact CE-CD1 3.71Å; M243-I248 HydrophobicContact CE-CG1 3.93Å; M243-I248 HydrophobicContact SD-CD1 4.07Å; S246-I248 PolarHBondContact O-N 3.04Å; I248-E250 HydrophobicContact CG2-CG 3.91Å
249H97.4Very high95.4Very high6 Ų641.9 Ų41.93%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-139.7104.2172.4-176.5-71.7000108.8F130 R151 F247 G264 L302F130-H249 AromaticContact CZ-CE1 3.77Å; R151-H249 WeakPolarHBondContact O-CA 3.35Å; F247-H249 HydrophobicContact CD1-CB 4.33Å; F247-H249 HydrophobicContact CE1-CB 3.75Å; H249-G264 PolarHBondContact O-N 3.47Å; H249-L302 HydrophobicContact CB-CD1 3.96Å; H249-L302 VanDerWaalsContact CG-CD1 3.49Å
250E98.3Very high95.4Very high54 Ų5441.9 Ų41.925%0.25225%0.253SS..EExtended strand (participates in β ladder)trans-122.3129.5-179.6-61.5-170.6141.700110.1V150 R151 I248 A262 R263V150-E250 VanDerWaalsContact CA-O 3.32Å; V150-E250 WeakPolarHBondContact CA-O 3.42Å; V150-E250 WeakPolarHBondContact CG1-O 3.41Å; R151-E250 PolarHBondContact N-O 3.1Å; R151-E250 PolarHBondContact O-N 3.23Å; I248-E250 HydrophobicContact CG2-CG 3.91Å; E250-A262 VanDerWaalsContact CA-O 3.29Å; E250-A262 WeakPolarHBondContact CA-O 3.24Å; E250-R263 HydrophobicContact CG-CB 4.47Å; E250-R263 HydrophobicContact CG-CG 4.08Å; E250-R263 VanDerWaalsContact OE1-CD 3.24Å; E250-R263 WeakPolarHBondContact OE1-CD 3.4Å; E250-R263 IonicContact OE1-NE 3.26Å; E250-R263 PolarHBondContact OE1-NE 2.88Å
251V98.8Very high95.5Very high0 Ų040.6 Ų40.60%025%0.246CC..EExtended strand (participates in β ladder)trans-127115.3175.2175.20000107.2F130 V150 L185 L186 L189 I261 A262F130-V251 HydrophobicContact CE1-CB 3.84Å; F130-V251 HydrophobicContact CE1-CG1 4.15Å; F130-V251 HydrophobicContact CE1-CG2 4.02Å; F130-V251 HydrophobicContact CZ-CB 4.2Å; F130-V251 HydrophobicContact CZ-CG2 3.93Å; V150-V251 HydrophobicContact CG1-CG2 3.97Å; V150-V251 HydrophobicContact CG2-CB 4.46Å; V150-V251 HydrophobicContact CG2-CG1 4.18Å; V150-V251 HydrophobicContact CG2-CG2 4.22Å; L185-V251 HydrophobicContact CD2-CG2 3.99Å; L186-V251 HydrophobicContact CD2-CG1 4.34Å; L189-V251 HydrophobicContact CD1-CG1 4.19Å; V251-I261 CarbonylContact O-C 3.54Å; V251-I261 WeakPolarHBondContact O-CA 3.32Å; V251-A262 PolarHBondContact N-O 3.15Å; V251-A262 PolarHBondContact O-N 2.94Å
252M98.8Very high95.6Very high43 Ų4340.5 Ų40.521%0.21225%0.245CC..EExtended strand (participates in β ladder)trans-113.2135.7179.1-177.3171.558.900110.2C148 D149 V254 L260 I261C148-M252 CarbonylContact C-O 3.6Å; C148-M252 VanDerWaalsContact CA-O 3.22Å; C148-M252 WeakPolarHBondContact CA-O 3.38Å; D149-M252 HydrophobicContact CB-CB 4.45Å; D149-M252 HydrophobicContact CB-CE 3.76Å; D149-M252 PolarHBondContact N-O 2.95Å; D149-M252 PolarHBondContact O-N 2.8Å; M252-V254 HydrophobicContact CE-CG2 4.26Å; M252-V254 HydrophobicContact CG-CG2 4.04Å; M252-V254 HydrophobicContact SD-CG2 4.13Å; M252-L260 CarbonylContact C-O 3.52Å; M252-L260 WeakPolarHBondContact CA-O 3.28Å; M252-I261 HydrophobicContact CB-CB 4.26Å; M252-I261 HydrophobicContact CB-CD1 4.24Å; M252-I261 HydrophobicContact CB-CG1 4.1Å; M252-I261 HydrophobicContact CG-CB 4.26Å
253V98.8Very high95.8Very high0 Ų041 Ų410%024%0.242CC..EExtended strand (participates in β ladder)trans-120.9120.8172.1-1790000107.9M133 I137 V145 R259 L260M133-V253 HydrophobicContact SD-CG2 4Å; I137-V253 HydrophobicContact CD1-CB 4.45Å; I137-V253 HydrophobicContact CD1-CG1 4.12Å; I137-V253 HydrophobicContact CD1-CG2 4.27Å; V145-V253 HydrophobicContact CG1-CG1 3.82Å; V145-V253 HydrophobicContact CG2-CG1 4.17Å; V253-R259 CarbonylContact O-C 3.46Å; V253-R259 VanDerWaalsContact O-CA 3.24Å; V253-R259 WeakPolarHBondContact O-CA 3.28Å; V253-L260 PolarHBondContact N-O 3.4Å; V253-L260 PolarHBondContact O-N 3.4Å
254V98.6Very high95.9Very high39 Ų3940 Ų4024%0.23624%0.243CC..EExtended strand (participates in β ladder)trans-110.5132.7176.7-174.40000108.5L146 I147 M252 R259L146-V254 PolarHBondContact N-O 2.77Å; I147-V254 HydrophobicContact CB-CB 4.24Å; I147-V254 PolarHBondContact N-O 2.88Å; I147-V254 PolarHBondContact O-N 3.38Å; M252-V254 HydrophobicContact CE-CG2 4.26Å; M252-V254 HydrophobicContact CG-CG2 4.04Å; M252-V254 HydrophobicContact SD-CG2 4.13Å; V254-R259 HydrophobicContact CB-CB 4.48Å; V254-R259 HydrophobicContact CG2-CB 4.05Å
255G98.3Very high96.3Very high5 Ų535.4 Ų35.45%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-130.5-173173.300000112.8V142 N144 T257 G258V142-G255 CarbonylContact O-C 3.46Å; V142-G255 WeakPolarHBondContact O-CA 3.42Å; N144-G255 CarbonylContact O-C 3.6Å; N144-G255 WeakPolarHBondContact O-CA 3.5Å; G255-T257 PolarHBondContact O-N 2.94Å; G255-G258 PolarHBondContact N-O 2.64Å
256S98.1Very high96.9Very high58 Ų5834 Ų3441%0.40619%0.189SC..THydrogen-bonded Turntrans-64.4-21.9-174.659.40000114.9V142 N144 N272V142-S256 PolarHBondContact O-N 3.46Å; N144-S256 PolarHBondContact N-OG 2.81Å; N144-S256 PolarHBondContact O-N 3.46Å; S256-N272 PolarHBondContact O-ND2 3.17Å
257T97.9Very high97.5Very high59 Ų5929.2 Ų29.236%0.36216%0.155SC..THydrogen-bonded Turntrans-118.5-3-175.764.70000114.7Y141 V142 G143 G255 N272Y141-T257 PolarHBondContact O-OG1 2.9Å; Y141-T257 VanDerWaalsContact O-OG1 3.05Å; V142-T257 PolarHBondContact O-N 3.05Å; V142-T257 PolarHBondContact O-OG1 3.29Å; G143-T257 PolarHBondContact N-OG1 3.29Å; G255-T257 PolarHBondContact O-N 2.94Å; T257-N272 PolarHBondContact O-N 3.38Å
258G98Very high97.8Very high2 Ų228.7 Ų28.72%0.02115%0.152CC..EExtended strand (participates in β ladder)trans166.9-168.1-179.900000113.3G255 Q270 N272G255-G258 PolarHBondContact N-O 2.64Å; G258-Q270 CarbonylContact C-O 3.09Å; G258-Q270 WeakPolarHBondContact CA-O 3.39Å; G258-N272 WeakPolarHBondContact CA-OD1 3.42Å; G258-N272 PolarHBondContact N-OD1 2.88Å
259R98.4Very high97.9Very high56 Ų5625.8 Ų25.821%0.21114%0.137CC..EExtended strand (participates in β ladder)trans-134.8154.3176.866.4-179.8-17792.78.2112.3V253 V254 G269 Q270 E277V253-R259 CarbonylContact O-C 3.46Å; V253-R259 VanDerWaalsContact O-CA 3.24Å; V253-R259 WeakPolarHBondContact O-CA 3.28Å; V254-R259 HydrophobicContact CB-CB 4.48Å; V254-R259 HydrophobicContact CG2-CB 4.05Å; R259-G269 CarbonylContact O-C 3.41Å; R259-G269 WeakPolarHBondContact O-CA 3.31Å; R259-Q270 HydrophobicContact CG-CB 4.09Å; R259-Q270 PolarHBondContact N-O 2.83Å; R259-Q270 PolarHBondContact O-N 3.02Å; R259-E277 IonicContact CZ-OE2 3.93Å; R259-E277 VanDerWaalsContact CZ-OE2 3.23Å; R259-E277 IonicContact NH1-OE2 3.28Å; R259-E277 PolarHBondContact NH1-OE2 3.31Å; R259-E277 IonicContact NH2-OE2 2.79Å; R259-E277 PolarHBondContact NH2-OE2 2.94Å
260L98.8Very high98Very high0 Ų027.6 Ų27.60%015%0.145CC..EExtended strand (participates in β ladder)trans-121.4141.5167-67.5166.4000108.3M133 L136 I137 Y141 V142 M252 V253 L267 Y268 L280M133-L260 HydrophobicContact CE-CB 4.17Å; M133-L260 HydrophobicContact CG-CB 4.22Å; M133-L260 HydrophobicContact CG-CD1 4.04Å; L136-L260 HydrophobicContact CB-CD1 3.75Å; L136-L260 HydrophobicContact CD1-CD1 4.45Å; L136-L260 HydrophobicContact CD1-CD2 3.87Å; I137-L260 HydrophobicContact CG1-CD1 4.02Å; Y141-L260 HydrophobicContact CD1-CD1 4.34Å; Y141-L260 HydrophobicContact CD1-CD2 3.75Å; Y141-L260 HydrophobicContact CD1-CG 3.95Å; Y141-L260 HydrophobicContact CE1-CD2 3.75Å; Y141-L260 HydrophobicContact CE1-CG 4.25Å; Y141-L260 HydrophobicContact CG-CD2 4.44Å; V142-L260 HydrophobicContact CG1-CB 4.43Å; V142-L260 HydrophobicContact CG1-CD1 3.9Å; V142-L260 HydrophobicContact CG1-CG 3.75Å; M252-L260 CarbonylContact C-O 3.52Å; M252-L260 WeakPolarHBondContact CA-O 3.28Å; V253-L260 PolarHBondContact N-O 3.4Å; V253-L260 PolarHBondContact O-N 3.4Å; L260-L267 HydrophobicContact CB-CD1 4.46Å; L260-Y268 CarbonylContact C-O 3.54Å; L260-Y268 WeakPolarHBondContact CA-O 3.34Å; L260-L280 HydrophobicContact CD2-CD1 3.47Å; L260-L280 VanDerWaalsContact CD2-CD1 3.47Å
261I98.6Very high97.9Very high10 Ų1028 Ų285%0.05115%0.147CC..EExtended strand (participates in β ladder)trans-138124.3174.3-175.3169.9000110.3V251 M252 R263 Y268 E277V251-I261 CarbonylContact O-C 3.54Å; V251-I261 WeakPolarHBondContact O-CA 3.32Å; M252-I261 HydrophobicContact CB-CB 4.26Å; M252-I261 HydrophobicContact CB-CD1 4.24Å; M252-I261 HydrophobicContact CB-CG1 4.1Å; M252-I261 HydrophobicContact CG-CB 4.26Å; I261-R263 HydrophobicContact CD1-CG 4.24Å; I261-R263 HydrophobicContact CG1-CG 4.1Å; I261-Y268 HydrophobicContact CG2-CD2 4.42Å; I261-Y268 HydrophobicContact CG2-CG 4.44Å; I261-Y268 PolarHBondContact N-O 3.18Å; I261-Y268 PolarHBondContact O-N 3.13Å; I261-E277 WeakPolarHBondContact CG2-OE2 3.27Å
262A98.5Very high97.8Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-94.5124.9168.600000108.9F130 M133 E250 V251 D266 L267F130-A262 HydrophobicContact CD1-CB 4.17Å; F130-A262 HydrophobicContact CE1-CB 3.42Å; F130-A262 VanDerWaalsContact CE1-CB 3.42Å; F130-A262 HydrophobicContact CZ-CB 3.81Å; M133-A262 HydrophobicContact CE-CB 3.59Å; M133-A262 VanDerWaalsContact CE-N 3.33Å; E250-A262 VanDerWaalsContact CA-O 3.29Å; E250-A262 WeakPolarHBondContact CA-O 3.24Å; V251-A262 PolarHBondContact N-O 3.15Å; V251-A262 PolarHBondContact O-N 2.94Å; A262-D266 CarbonylContact C-O 3.57Å; A262-D266 VanDerWaalsContact CA-O 3.26Å; A262-D266 WeakPolarHBondContact CA-O 3.47Å; A262-L267 HydrophobicContact CB-CD1 4.38Å
263R97.1Very high97.6Very high76 Ų7638 Ų3829%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-115.3104.2172.6-57-170.4-174.196.90.1108.3E250 I261 T265 D266 Y268 E277E250-R263 HydrophobicContact CG-CB 4.47Å; E250-R263 HydrophobicContact CG-CG 4.08Å; E250-R263 VanDerWaalsContact OE1-CD 3.24Å; E250-R263 WeakPolarHBondContact OE1-CD 3.4Å; E250-R263 IonicContact OE1-NE 3.26Å; E250-R263 PolarHBondContact OE1-NE 2.88Å; I261-R263 HydrophobicContact CD1-CG 4.24Å; I261-R263 HydrophobicContact CG1-CG 4.1Å; R263-T265 PolarHBondContact O-N 3.44Å; R263-D266 PolarHBondContact N-O 2.89Å; R263-D266 PolarHBondContact O-N 3.36Å; R263-Y268 HydrophobicContact CB-CE2 4.17Å; R263-Y268 HydrophobicContact CG-CD2 4.33Å; R263-Y268 HydrophobicContact CG-CE2 4.21Å; R263-Y268 VanDerWaalsContact NH1-CD2 3.28Å; R263-E277 IonicContact CZ-OE1 3.67Å; R263-E277 VanDerWaalsContact CZ-OE1 3.32Å; R263-E277 IonicContact CZ-OE2 2.99Å; R263-E277 IonicContact NH1-OE1 3.53Å; R263-E277 PolarHBondContact NH1-OE1 3.44Å; R263-E277 IonicContact NH1-OE2 3.39Å; R263-E277 IonicContact NH2-OE1 3.22Å; R263-E277 PolarHBondContact NH2-OE1 2.87Å; R263-E277 IonicContact NH2-OE2 2.7Å; R263-E277 PolarHBondContact NH2-OE2 2.97Å
264G94.5Very high97.4Very high22 Ų2239.8 Ų39.823%0.22722%0.221CC..THydrogen-bonded Turntrans61.7-105.3-171.600000111.6H249H249-G264 PolarHBondContact O-N 3.47Å
265T95.3Very high97.2Very high19 Ų1946.1 Ų46.112%0.11725%0.252CS..THydrogen-bonded Turntrans-109.80.4-176.760.20000113.6A129 R263 L302 K305A129-T265 WeakPolarHBondContact CB-O 3.39Å; R263-T265 PolarHBondContact O-N 3.44Å; T265-L302 HydrophobicContact CG2-CB 3.89Å; T265-K305 HydrophobicContact CG2-CD 3.88Å
266D96.9Very high97Very high38 Ų3853.4 Ų53.420%0.20329%0.285CS..EExtended strand (participates in β ladder)trans-107.1145.2-178.5-61.3-29000110.3A262 R263 Y268 L279 F281 T282 D283A262-D266 CarbonylContact C-O 3.57Å; A262-D266 VanDerWaalsContact CA-O 3.26Å; A262-D266 WeakPolarHBondContact CA-O 3.47Å; R263-D266 PolarHBondContact N-O 2.89Å; R263-D266 PolarHBondContact O-N 3.36Å; D266-Y268 HydrophobicContact CB-CE2 3.79Å; D266-L279 HydrophobicContact CB-CD1 4.16Å; D266-F281 WeakPolarHBondContact CA-O 3.39Å; D266-T282 VanDerWaalsContact OD1-CA 3.27Å; D266-T282 WeakPolarHBondContact OD1-CA 3.3Å; D266-T282 WeakPolarHBondContact OD1-CB 3.25Å; D266-T282 PolarHBondContact OD1-OG1 2.79Å; D266-D283 PolarHBondContact OD1-N 2.94Å
267L98.6Very high97Very high0 Ų053.5 Ų53.50%028%0.279CS..EExtended strand (participates in β ladder)trans-115.2132.9179-178.265.3000110.2A129 K132 M133 L136 L260 A262 L280 F281A129-L267 HydrophobicContact CB-CB 4.25Å; K132-L267 HydrophobicContact CB-CD2 3.88Å; K132-L267 HydrophobicContact CG-CD2 3.76Å; M133-L267 HydrophobicContact CB-CD1 3.93Å; M133-L267 HydrophobicContact CB-CD2 4.23Å; M133-L267 HydrophobicContact CE-CD1 3.39Å; M133-L267 HydrophobicContact CG-CD1 4.27Å; L136-L267 HydrophobicContact CD1-CD2 3.94Å; L260-L267 HydrophobicContact CB-CD1 4.46Å; A262-L267 HydrophobicContact CB-CD1 4.38Å; L267-L280 HydrophobicContact CD2-CB 4.35Å; L267-L280 HydrophobicContact CG-CB 4.27Å; L267-L280 PolarHBondContact O-N 3.29Å; L267-F281 HydrophobicContact CB-CB 3.94Å; L267-F281 PolarHBondContact N-O 2.83Å; L267-F281 PolarHBondContact O-N 3.38Å; L267-F281 VanDerWaalsContact O-N 3.11Å
268Y98.6Very high96.9Very high54 Ų5455.1 Ų55.121%0.21228%0.282CS..EExtended strand (participates in β ladder)trans-122.7154.9175.6-53.9-100.3000110.7L260 I261 R263 D266 E277 E278 L279L260-Y268 CarbonylContact C-O 3.54Å; L260-Y268 WeakPolarHBondContact CA-O 3.34Å; I261-Y268 HydrophobicContact CG2-CD2 4.42Å; I261-Y268 HydrophobicContact CG2-CG 4.44Å; I261-Y268 PolarHBondContact N-O 3.18Å; I261-Y268 PolarHBondContact O-N 3.13Å; R263-Y268 HydrophobicContact CB-CE2 4.17Å; R263-Y268 HydrophobicContact CG-CD2 4.33Å; R263-Y268 HydrophobicContact CG-CE2 4.21Å; R263-Y268 VanDerWaalsContact NH1-CD2 3.28Å; D266-Y268 HydrophobicContact CB-CE2 3.79Å; Y268-E277 HydrophobicContact CD1-CG 4.21Å; Y268-E277 HydrophobicContact CG-CG 4.3Å; Y268-E278 CarbonylContact C-O 3.13Å; Y268-E278 WeakPolarHBondContact CA-O 3.18Å; Y268-E278 WeakPolarHBondContact CB-O 3.4Å; Y268-L279 HydrophobicContact CD1-CB 4.13Å; Y268-L279 HydrophobicContact CD1-CD1 3.93Å; Y268-L279 HydrophobicContact CE1-CB 4.08Å; Y268-L279 HydrophobicContact CE1-CD1 3.52Å; Y268-L279 HydrophobicContact CE1-CG 4.37Å; Y268-L279 HydrophobicContact CE2-CD1 4.26Å; Y268-L279 HydrophobicContact CG-CD1 4.46Å
269G98.4Very high96.9Very high0 Ų059.6 Ų59.60%031%0.305CS..EExtended strand (participates in β ladder)trans-136.7158.8176.600000112.5R259 E277 E278R259-G269 CarbonylContact O-C 3.41Å; R259-G269 WeakPolarHBondContact O-CA 3.31Å; G269-E277 WeakPolarHBondContact O-CA 3.47Å; G269-E278 PolarHBondContact N-O 2.88Å; G269-E278 WeakPolarHBondContact O-CG 3.42Å; G269-E278 PolarHBondContact O-N 3.17Å
270Q98.3Very high96.9Very high44 Ų4459.5 Ų59.521%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-154.1119.5169.3-172.4175.22.200109.8Y141 G258 R259 A274Y141-Q270 PolarHBondContact OH-N 2.68Å; G258-Q270 CarbonylContact C-O 3.09Å; G258-Q270 WeakPolarHBondContact CA-O 3.39Å; R259-Q270 HydrophobicContact CG-CB 4.09Å; R259-Q270 PolarHBondContact N-O 2.83Å; R259-Q270 PolarHBondContact O-N 3.02Å; Q270-A274 HydrophobicContact CG-CB 4.28Å; Q270-A274 PolarHBondContact NE2-O 3.33Å; Q270-A274 VanDerWaalsContact NE2-O 3.13Å
271K97.5Very high96.8Very high64 Ų6462.5 Ų62.528%0.27832%0.322SS..EExtended strand (participates in β ladder)trans-73.8154.1168.1-60.8-61.9-160.2-175.30110.5Y141 T273 A274Y141-K271 VanDerWaalsContact C-NZ 3.31Å; Y141-K271 HydrophobicContact CD1-CD 4.31Å; Y141-K271 HydrophobicContact CD2-CD 4.43Å; Y141-K271 HydrophobicContact CE1-CD 3.96Å; Y141-K271 HydrophobicContact CE2-CD 4.1Å; Y141-K271 VanDerWaalsContact CE2-CE 3.48Å; Y141-K271 PolarHBondContact O-NZ 3.17Å; K271-T273 PolarHBondContact O-N 2.92Å; K271-T273 VanDerWaalsContact O-N 3.13Å; K271-A274 HydrophobicContact CB-CB 4.22Å; K271-A274 WeakPolarHBondContact O-CB 3.32Å; K271-A274 PolarHBondContact O-N 2.8Å
272N95.4Very high96.7Very high114 Ų11465.7 Ų65.761%0.6134%0.342SS*.THydrogen-bonded Turntrans-59.2-27.1175-69-9.5000113.1S256 T257 G258 A274S256-N272 PolarHBondContact O-ND2 3.17Å; T257-N272 PolarHBondContact O-N 3.38Å; G258-N272 WeakPolarHBondContact CA-OD1 3.42Å; G258-N272 PolarHBondContact N-OD1 2.88Å; N272-A274 VanDerWaalsContact C-N 3.35Å
273T94.9Very high96.3Very high137 Ų13766.3 Ų66.384%0.8435%0.345SS*.THydrogen-bonded Turntrans-83.2-10.4177.156.20000113.5K271K271-T273 PolarHBondContact O-N 2.92Å; K271-T273 VanDerWaalsContact O-N 3.13Å
274A95.3Very high95.9Very high38 Ų3868 Ų6831%0.31437%0.369SS..  trans-92134.8-176.100000111.2Q270 K271 N272 Q276Q270-A274 HydrophobicContact CG-CB 4.28Å; Q270-A274 PolarHBondContact NE2-O 3.33Å; Q270-A274 VanDerWaalsContact NE2-O 3.13Å; K271-A274 HydrophobicContact CB-CB 4.22Å; K271-A274 WeakPolarHBondContact O-CB 3.32Å; K271-A274 PolarHBondContact O-N 2.8Å; N272-A274 VanDerWaalsContact C-N 3.35Å; A274-Q276 VanDerWaalsContact C-N 3.34Å
275L93.6Very high95.5Very high172 Ų17269 Ų6990%0.90137%0.369SS*.SBendtrans-75-23.4-179.9-66.3174.2000113.4
276Q94.9Very high94.7Very high159 Ų15974 Ų7474%0.74340%0.399SS*.SBendtrans-137.8155.7-175.2-66.3-173.3-13.300111.3A274A274-Q276 VanDerWaalsContact C-N 3.34Å
277E97.1Very high93.4Very high59 Ų5973.2 Ų73.228%0.27640%0.396SS..  trans-72.1137.8170.2-178.4177.887.800110.3R259 I261 R263 Y268 G269R259-E277 IonicContact CZ-OE2 3.93Å; R259-E277 VanDerWaalsContact CZ-OE2 3.23Å; R259-E277 IonicContact NH1-OE2 3.28Å; R259-E277 PolarHBondContact NH1-OE2 3.31Å; R259-E277 IonicContact NH2-OE2 2.79Å; R259-E277 PolarHBondContact NH2-OE2 2.94Å; I261-E277 WeakPolarHBondContact CG2-OE2 3.27Å; R263-E277 IonicContact CZ-OE1 3.67Å; R263-E277 VanDerWaalsContact CZ-OE1 3.32Å; R263-E277 IonicContact CZ-OE2 2.99Å; R263-E277 IonicContact NH1-OE1 3.53Å; R263-E277 PolarHBondContact NH1-OE1 3.44Å; R263-E277 IonicContact NH1-OE2 3.39Å; R263-E277 IonicContact NH2-OE1 3.22Å; R263-E277 PolarHBondContact NH2-OE1 2.87Å; R263-E277 IonicContact NH2-OE2 2.7Å; R263-E277 PolarHBondContact NH2-OE2 2.97Å; Y268-E277 HydrophobicContact CD1-CG 4.21Å; Y268-E277 HydrophobicContact CG-CG 4.3Å; G269-E277 WeakPolarHBondContact O-CA 3.47Å
278E97.2Very high91.7Very high93 Ų9378.9 Ų78.944%0.43543%0.426SS..EExtended strand (participates in β ladder)trans-109.7143.6177.469.9-171.9161.800110.9Y141 Y268 G269 L280Y141-E278 PolarHBondContact OH-OE1 2.68Å; Y268-E278 CarbonylContact C-O 3.13Å; Y268-E278 WeakPolarHBondContact CA-O 3.18Å; Y268-E278 WeakPolarHBondContact CB-O 3.4Å; G269-E278 PolarHBondContact N-O 2.88Å; G269-E278 WeakPolarHBondContact O-CG 3.42Å; G269-E278 PolarHBondContact O-N 3.17Å; E278-L280 HydrophobicContact CG-CD2 3.64Å; E278-L280 HydrophobicContact CG-CG 3.96Å; E278-L280 PolarHBondContact O-N 2.81Å; E278-L280 WeakPolarHBondContact OE1-CD2 3.33Å
279L97.8Very high89.5Confident96 Ų9684.3 Ų84.350%0.50345%0.451SS..EExtended strand (participates in β ladder)trans-79.4111.9169.3177.968.5000108.6D266 Y268 F281D266-L279 HydrophobicContact CB-CD1 4.16Å; Y268-L279 HydrophobicContact CD1-CB 4.13Å; Y268-L279 HydrophobicContact CD1-CD1 3.93Å; Y268-L279 HydrophobicContact CE1-CB 4.08Å; Y268-L279 HydrophobicContact CE1-CD1 3.52Å; Y268-L279 HydrophobicContact CE1-CG 4.37Å; Y268-L279 HydrophobicContact CE2-CD1 4.26Å; Y268-L279 HydrophobicContact CG-CD1 4.46Å; L279-F281 WeakPolarHBondContact CD1-O 3.43Å
280L97.4Very high87.4Confident54 Ų5487.4 Ų87.428%0.28348%0.483SS..EExtended strand (participates in β ladder)trans-91.1-30.9-177.5-69.3179000112.9L136 Y141 L260 L267 E278L136-L280 HydrophobicContact CD1-CD1 3.67Å; Y141-L280 HydrophobicContact CE2-CD1 4.47Å; L260-L280 HydrophobicContact CD2-CD1 3.47Å; L260-L280 VanDerWaalsContact CD2-CD1 3.47Å; L267-L280 HydrophobicContact CD2-CB 4.35Å; L267-L280 HydrophobicContact CG-CB 4.27Å; L267-L280 PolarHBondContact O-N 3.29Å; E278-L280 HydrophobicContact CG-CD2 3.64Å; E278-L280 HydrophobicContact CG-CG 3.96Å; E278-L280 PolarHBondContact O-N 2.81Å; E278-L280 WeakPolarHBondContact OE1-CD2 3.33Å
281F97.6Very high85.2Confident63 Ų6387.7 Ų87.728%0.27649%0.486SS..EExtended strand (participates in β ladder)trans-154.7141.3179.7-179.7-90000110.7P128 A129 D266 L267 L279 D283P128-F281 HydrophobicContact CB-CD1 4.47Å; P128-F281 HydrophobicContact CB-CE1 3.51Å; P128-F281 HydrophobicContact CB-CE2 4.15Å; P128-F281 HydrophobicContact CB-CZ 3.31Å; P128-F281 HydrophobicContact CG-CZ 4.25Å; A129-F281 HydrophobicContact CB-CD1 4.34Å; D266-F281 WeakPolarHBondContact CA-O 3.39Å; L267-F281 HydrophobicContact CB-CB 3.94Å; L267-F281 PolarHBondContact N-O 2.83Å; L267-F281 PolarHBondContact O-N 3.38Å; L267-F281 VanDerWaalsContact O-N 3.11Å; L279-F281 WeakPolarHBondContact CD1-O 3.43Å; F281-D283 HydrophobicContact CE1-CB 3.97Å
282T95.1Very high83Confident78 Ų7887.6 Ų87.648%0.47949%0.488SS..  trans-130.8136.8168.1-1730000110.4D266 S284D266-T282 VanDerWaalsContact OD1-CA 3.27Å; D266-T282 WeakPolarHBondContact OD1-CA 3.3Å; D266-T282 WeakPolarHBondContact OD1-CB 3.25Å; D266-T282 PolarHBondContact OD1-OG1 2.79Å; T282-S284 PolarHBondContact O-N 2.9Å
283D90.7Very high80.8Confident12 Ų1289.4 Ų89.46%0.06449%0.492CS..  trans-83.3109-177.9-173.5-35.1000110.7D266 F281 L285 K305 Y309D266-D283 PolarHBondContact OD1-N 2.94Å; F281-D283 HydrophobicContact CE1-CB 3.97Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 2.99Å; D283-L285 WeakPolarHBondContact OD1-CA 3.26Å; D283-L285 WeakPolarHBondContact OD1-CB 3.35Å; D283-L285 PolarHBondContact OD1-N 3.21Å; D283-K305 HydrophobicContact CB-CD 4.44Å; D283-K305 PolarHBondContact O-NZ 3.29Å; D283-K305 IonicContact OD1-NZ 3.94Å; D283-K305 PolarHBondContact OD1-NZ 2.99Å; D283-K305 WeakPolarHBondContact OD2-CD 3.23Å; D283-K305 IonicContact OD2-NZ 3.38Å; D283-Y309 PolarHBondContact OD1-OH 2.88Å; D283-Y309 VanDerWaalsContact OD1-OH 3.1Å; D283-Y309 WeakPolarHBondContact OD2-CE2 3.45Å; D283-Y309 PolarHBondContact OD2-OH 2.95Å
284S88Confident78.6Confident111 Ų11192.4 Ų92.478%0.77649%0.494SS*.  trans-81.2-3.7179.462.40000114.8T282 T286T282-S284 PolarHBondContact O-N 2.9Å; S284-T286 PolarHBondContact O-N 2.66Å
285L86.6Confident76.4Confident44 Ų4490.9 Ų90.923%0.2348%0.482CS..PPolyproline II helixtrans-64.5118-179.1-177.872.9000110.4D283 K305 V308 Y309D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 2.99Å; D283-L285 WeakPolarHBondContact OD1-CA 3.26Å; D283-L285 WeakPolarHBondContact OD1-CB 3.35Å; D283-L285 PolarHBondContact OD1-N 3.21Å; L285-K305 HydrophobicContact CB-CD 4.33Å; L285-K305 HydrophobicContact CD2-CB 4.32Å; L285-K305 HydrophobicContact CD2-CD 4.43Å; L285-K305 HydrophobicContact CD2-CG 4.23Å; L285-K305 WeakPolarHBondContact O-CE 3.46Å; L285-K305 PolarHBondContact O-NZ 3.13Å; L285-V308 HydrophobicContact CD2-CB 3.95Å; L285-V308 HydrophobicContact CD2-CG1 3.82Å; L285-V308 HydrophobicContact CD2-CG2 4.33Å; L285-Y309 WeakPolarHBondContact CB-OH 3.43Å; L285-Y309 HydrophobicContact CD2-CD2 4.5Å; L285-Y309 HydrophobicContact CD2-CE1 4.38Å; L285-Y309 HydrophobicContact CD2-CE2 3.86Å
286T78.8Confident74.5Confident123 Ų12383.4 Ų83.476%0.75544%0.442SS*.PPolyproline II helixtrans-90.9119.9170.553.50000110S284S284-T286 PolarHBondContact O-N 2.66Å
287V70.6Confident72.9Confident22 Ų2285.3 Ų85.313%0.13345%0.448CS..PPolyproline II helixtrans-82.3121.9172.6-177.20000108.4K289 L292 F296 L301 K305V287-K289 PolarHBondContact O-N 2.91Å; V287-L292 HydrophobicContact CG1-CD2 4.27Å; V287-L292 HydrophobicContact CG1-CG 4.39Å; V287-L292 WeakPolarHBondContact O-CD1 3.36Å; V287-F296 HydrophobicContact CG1-CE1 3.84Å; V287-F296 HydrophobicContact CG1-CZ 4.32Å; V287-L301 HydrophobicContact CG2-CD1 4.24Å; V287-K305 HydrophobicContact CG2-CG 4.07Å
288N62.6Low71.7Confident119 Ų11988.6 Ų88.664%0.63647%0.468SS*.PPolyproline II helixtrans-56.3134-173.5-105-29000113G290 L291 L292N288-G290 VanDerWaalsContact C-N 3.32Å; N288-G290 PolarHBondContact O-N 3.48Å; N288-L291 HydrophobicContact CB-CD1 4.18Å; N288-L291 WeakPolarHBondContact O-CB 3.45Å; N288-L291 PolarHBondContact O-N 2.91Å; N288-L291 VanDerWaalsContact O-N 3.08Å; N288-L292 PolarHBondContact O-N 2.89Å
289K52.6Low71.1Confident168 Ų16885.4 Ų85.473%0.7345%0.453SS*.Hα-helixtrans-59.1-34.4-179-72.8-175.9178.8179.80114.6V287 L291 L292 E293V287-K289 PolarHBondContact O-N 2.91Å; K289-L291 VanDerWaalsContact C-N 3.27Å; K289-L291 PolarHBondContact O-N 3Å; K289-L292 HydrophobicContact CG-CD1 4.31Å; K289-L292 WeakPolarHBondContact O-CA 3.43Å; K289-L292 WeakPolarHBondContact O-CB 3.44Å; K289-L292 PolarHBondContact O-N 3.12Å; K289-E293 PolarHBondContact O-N 3.15Å
290G53Low70.7Confident65 Ų6582.1 Ų82.167%0.6744%0.437SS*.Hα-helixtrans-65.7-27.3176.800000114N288N288-G290 VanDerWaalsContact C-N 3.32Å; N288-G290 PolarHBondContact O-N 3.48Å
291L53.1Low70.3Confident51 Ų5184 Ų8427%0.26745%0.447SS..Hα-helixtrans-72-41.2169.4-70.4164.8000109.8P21 L22 N288 K289 E293 F296P21-L291 HydrophobicContact CB-CD2 3.38Å; P21-L291 HydrophobicContact CG-CD2 4.02Å; L22-L291 HydrophobicContact CD2-CD1 4.39Å; N288-L291 HydrophobicContact CB-CD1 4.18Å; N288-L291 WeakPolarHBondContact O-CB 3.45Å; N288-L291 PolarHBondContact O-N 2.91Å; N288-L291 VanDerWaalsContact O-N 3.08Å; K289-L291 VanDerWaalsContact C-N 3.27Å; K289-L291 PolarHBondContact O-N 3Å; L291-E293 VanDerWaalsContact C-N 3.27Å; L291-E293 PolarHBondContact O-N 3.3Å; L291-E293 VanDerWaalsContact O-N 3.16Å; L291-F296 VanDerWaalsContact C-CD2 3.4Å; L291-F296 HydrophobicContact CB-CE2 3.66Å; L291-F296 HydrophobicContact CB-CZ 3.74Å; L291-F296 WeakPolarHBondContact O-CD2 3.07Å; L291-F296 WeakPolarHBondContact O-CE2 3.43Å
292L50.8Low70Confident62 Ų6281.3 Ų81.333%0.32544%0.436SS..Hα-helixtrans-63.2-17.3-175.6-66.1167.6000115.9V287 N288 K289 F296V287-L292 HydrophobicContact CG1-CD2 4.27Å; V287-L292 HydrophobicContact CG1-CG 4.39Å; V287-L292 WeakPolarHBondContact O-CD1 3.36Å; N288-L292 PolarHBondContact O-N 2.89Å; K289-L292 HydrophobicContact CG-CD1 4.31Å; K289-L292 WeakPolarHBondContact O-CA 3.43Å; K289-L292 WeakPolarHBondContact O-CB 3.44Å; K289-L292 PolarHBondContact O-N 3.12Å; L292-F296 HydrophobicContact CB-CB 4.46Å; L292-F296 HydrophobicContact CD2-CB 3.92Å; L292-F296 HydrophobicContact CD2-CD1 3.45Å; L292-F296 VanDerWaalsContact CD2-CD1 3.45Å; L292-F296 HydrophobicContact CD2-CE1 4.09Å; L292-F296 HydrophobicContact CD2-CG 3.85Å; L292-F296 HydrophobicContact CG-CD1 4.4Å
293E49.8Very low69.9Low151 Ų15178 Ų7871%0.70641%0.414SS*.THydrogen-bonded Turntrans-80.7-24.5-167.6-78.7177.6-176.600115.9K289 L291K289-E293 PolarHBondContact O-N 3.15Å; L291-E293 VanDerWaalsContact C-N 3.27Å; L291-E293 PolarHBondContact O-N 3.3Å; L291-E293 VanDerWaalsContact O-N 3.16Å
294K48.7Very low70Confident201 Ų20177.6 Ų77.687%0.87441%0.412SS*.THydrogen-bonded Turntrans-123.4-20.7-172.5-72.2-175178.3-179.90117
295G48.3Very low70.3Confident6 Ų672.9 Ų72.96%0.06238%0.378CS..SBendtrans-124.1-4.8-175.700000116.3
296F54.8Low70.7Confident15 Ų1570.8 Ų70.87%0.06637%0.367CS..  trans-107.5-10.7-158.8-79.9-109.5000115.8V18 V287 L291 L292 D298 I299 L304V18-F296 HydrophobicContact CB-CE2 4.33Å; V18-F296 HydrophobicContact CB-CZ 4.24Å; V18-F296 HydrophobicContact CG1-CE1 4.17Å; V18-F296 HydrophobicContact CG1-CE2 4.28Å; V18-F296 HydrophobicContact CG1-CZ 3.7Å; V18-F296 HydrophobicContact CG2-CD1 4.46Å; V18-F296 HydrophobicContact CG2-CD2 3.84Å; V18-F296 HydrophobicContact CG2-CE1 4.2Å; V18-F296 HydrophobicContact CG2-CE2 3.57Å; V18-F296 HydrophobicContact CG2-CG 4.3Å; V18-F296 HydrophobicContact CG2-CZ 3.75Å; V287-F296 HydrophobicContact CG1-CE1 3.84Å; V287-F296 HydrophobicContact CG1-CZ 4.32Å; L291-F296 VanDerWaalsContact C-CD2 3.4Å; L291-F296 HydrophobicContact CB-CE2 3.66Å; L291-F296 HydrophobicContact CB-CZ 3.74Å; L291-F296 WeakPolarHBondContact O-CD2 3.07Å; L291-F296 WeakPolarHBondContact O-CE2 3.43Å; L292-F296 HydrophobicContact CB-CB 4.46Å; L292-F296 HydrophobicContact CD2-CB 3.92Å; L292-F296 HydrophobicContact CD2-CD1 3.45Å; L292-F296 VanDerWaalsContact CD2-CD1 3.45Å; L292-F296 HydrophobicContact CD2-CE1 4.09Å; L292-F296 HydrophobicContact CD2-CG 3.85Å; L292-F296 HydrophobicContact CG-CD1 4.4Å; F296-D298 PolarHBondContact O-N 2.89Å; F296-D298 VanDerWaalsContact O-N 3.13Å; F296-I299 PolarHBondContact O-N 3.08Å; F296-L304 HydrophobicContact CD1-CD1 3.14Å; F296-L304 HydrophobicContact CD1-CD2 3.44Å; F296-L304 VanDerWaalsContact CD1-CD2 3.44Å; F296-L304 HydrophobicContact CD1-CG 3.82Å; F296-L304 HydrophobicContact CE1-CB 4.13Å; F296-L304 HydrophobicContact CE1-CD1 3.54Å; F296-L304 HydrophobicContact CE1-CD2 3.32Å; F296-L304 HydrophobicContact CE1-CG 3.83Å; F296-L304 HydrophobicContact CG-CD1 4.28Å; F296-L304 HydrophobicContact CG-CD2 4.35Å; F296-L304 HydrophobicContact CZ-CD2 4.21Å
297K61.3Low71.5Confident199 Ų19965.5 Ų65.587%0.86533%0.334SS*.THydrogen-bonded Turntrans-60.6-26.3-178.6-72.5-172.7179.6179.80112.9
298D70.3Confident72.6Confident128 Ų12865.3 Ų65.368%0.68433%0.333SS*.THydrogen-bonded Turntrans-98-10.5-172.7-50.4-35.9000113.5F296F296-D298 PolarHBondContact O-N 2.89Å; F296-D298 VanDerWaalsContact O-N 3.13Å
299I84.9Confident74.3Confident25 Ų2561.9 Ų61.913%0.12831%0.311CS..SBendtrans-111.6119.1-176.6-54.1179.2000109.7V18 F296 L304V18-I299 HydrophobicContact CG2-CD1 4.04Å; F296-I299 PolarHBondContact O-N 3.08Å; I299-L304 HydrophobicContact CB-CD2 3.81Å; I299-L304 HydrophobicContact CB-CG 4.2Å; I299-L304 HydrophobicContact CD1-CD2 4.26Å; I299-L304 HydrophobicContact CG2-CD2 3.6Å; I299-L304 HydrophobicContact CG2-CG 3.81Å; I299-L304 WeakPolarHBondContact O-CD1 3.18Å
300P89.3Confident76.4Confident27 Ų2754.6 Ų54.618%0.17528%0.28CS..  trans-62.8148.3-179.7-19.829.8000113.4F247 L302 Y303 L304F247-P300 HydrophobicContact CB-CB 4.41Å; F247-P300 HydrophobicContact CD1-CB 3.48Å; F247-P300 VanDerWaalsContact CD1-CB 3.48Å; F247-P300 HydrophobicContact CD1-CG 3.86Å; F247-P300 HydrophobicContact CD2-CB 4.32Å; F247-P300 HydrophobicContact CD2-CG 3.82Å; F247-P300 HydrophobicContact CE1-CB 3.67Å; F247-P300 HydrophobicContact CE1-CG 3.83Å; F247-P300 HydrophobicContact CE2-CG 3.81Å; F247-P300 HydrophobicContact CG-CB 3.83Å; F247-P300 HydrophobicContact CG-CG 3.84Å; F247-P300 HydrophobicContact CZ-CB 4.19Å; F247-P300 HydrophobicContact CZ-CG 3.82Å; P300-L302 VanDerWaalsContact C-N 3.32Å; P300-L302 HydrophobicContact CB-CD2 3.79Å; P300-L302 PolarHBondContact O-N 2.93Å; P300-L302 VanDerWaalsContact O-N 3.15Å; P300-Y303 HydrophobicContact CB-CD2 3.91Å; P300-Y303 HydrophobicContact CB-CE2 4.33Å; P300-Y303 HydrophobicContact CG-CD2 3.98Å; P300-Y303 HydrophobicContact CG-CE2 4.21Å; P300-Y303 PolarHBondContact O-N 2.97Å; P300-L304 PolarHBondContact O-N 3.22Å
301L89.1Confident78.5Confident94 Ų9451.6 Ų51.649%0.49225%0.249SC..Hα-helixtrans-52.8-42.4-169.2-175.359.8000114.6V287 Y303 L304 K305V287-L301 HydrophobicContact CG2-CD1 4.24Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 2.72Å; L301-L304 HydrophobicContact CD1-CD1 4.43Å; L301-L304 WeakPolarHBondContact O-CB 3.48Å; L301-L304 PolarHBondContact O-N 3.25Å; L301-K305 HydrophobicContact CD1-CG 4.44Å; L301-K305 PolarHBondContact O-N 2.99Å
302L92.8Very high80.5Confident6 Ų652 Ų523%0.03125%0.249CC..Hα-helixtrans-61.5-38.2179.879.4165.2000112.8L124 L127 F247 H249 T265 P300 L304 K305 G306L124-L302 HydrophobicContact CD2-CD1 3.78Å; L124-L302 HydrophobicContact CD2-CG 4.11Å; L127-L302 HydrophobicContact CD1-CB 3.88Å; L127-L302 HydrophobicContact CD1-CD1 4.22Å; L127-L302 HydrophobicContact CD1-CG 4.3Å; L127-L302 WeakPolarHBondContact CD2-O 3.43Å; F247-L302 HydrophobicContact CD1-CD2 4.21Å; F247-L302 HydrophobicContact CE1-CD2 3.76Å; H249-L302 HydrophobicContact CB-CD1 3.96Å; H249-L302 VanDerWaalsContact CG-CD1 3.49Å; T265-L302 HydrophobicContact CG2-CB 3.89Å; P300-L302 VanDerWaalsContact C-N 3.32Å; P300-L302 HydrophobicContact CB-CD2 3.79Å; P300-L302 PolarHBondContact O-N 2.93Å; P300-L302 VanDerWaalsContact O-N 3.15Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 3.26Å; L302-K305 PolarHBondContact O-N 3.23Å; L302-G306 PolarHBondContact O-N 2.68Å
303Y93.1Very high82.7Confident8 Ų849.5 Ų49.53%0.03124%0.237CC..Hα-helixtrans-68.4-36.1-179.9-67.5-79.4000110.9V123 L124 M178 Y181 F247 P300 L301 G306 M307V123-Y303 HydrophobicContact CG2-CD1 3.85Å; V123-Y303 WeakPolarHBondContact CG2-O 3.27Å; L124-Y303 HydrophobicContact CD1-CE1 4.01Å; L124-Y303 HydrophobicContact CD2-CD1 3.82Å; L124-Y303 HydrophobicContact CD2-CE1 3.6Å; L124-Y303 HydrophobicContact CG-CD1 4.29Å; L124-Y303 HydrophobicContact CG-CE1 3.81Å; M178-Y303 HydrophobicContact CE-CE2 4.19Å; M178-Y303 HydrophobicContact SD-CE2 4.11Å; M178-Y303 PolarHBondContact SD-OH 3.13Å; Y181-Y303 AromaticContact CD1-CE1 3.93Å; Y181-Y303 HydrophobicContact CD1-CE1 3.93Å; Y181-Y303 HydrophobicContact CD2-CE1 4.12Å; Y181-Y303 HydrophobicContact CE1-CD1 4.16Å; Y181-Y303 AromaticContact CE1-CE1 3.94Å; Y181-Y303 HydrophobicContact CE1-CE1 3.94Å; Y181-Y303 HydrophobicContact CE2-CE1 4.19Å; Y181-Y303 HydrophobicContact CG-CE1 4.02Å; F247-Y303 HydrophobicContact CE1-CE2 4.14Å; F247-Y303 HydrophobicContact CZ-CE2 4.03Å; P300-Y303 HydrophobicContact CB-CD2 3.91Å; P300-Y303 HydrophobicContact CB-CE2 4.33Å; P300-Y303 HydrophobicContact CG-CD2 3.98Å; P300-Y303 HydrophobicContact CG-CE2 4.21Å; P300-Y303 PolarHBondContact O-N 2.97Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 2.72Å; Y303-G306 PolarHBondContact O-N 3.17Å; Y303-M307 WeakPolarHBondContact O-CG 3.44Å; Y303-M307 PolarHBondContact O-N 3.2Å
304L92.1Very high84.9Confident4 Ų442.5 Ų42.52%0.02121%0.205CC..Hα-helixtrans-65.8-46.9175.8-59.4164.8000111.9V18 F296 I299 P300 L301 L302 G306 M307 V308V18-L304 HydrophobicContact CG1-CD2 3.87Å; V18-L304 HydrophobicContact CG2-CD2 4.01Å; F296-L304 HydrophobicContact CD1-CD1 3.14Å; F296-L304 HydrophobicContact CD1-CD2 3.44Å; F296-L304 VanDerWaalsContact CD1-CD2 3.44Å; F296-L304 HydrophobicContact CD1-CG 3.82Å; F296-L304 HydrophobicContact CE1-CB 4.13Å; F296-L304 HydrophobicContact CE1-CD1 3.54Å; F296-L304 HydrophobicContact CE1-CD2 3.32Å; F296-L304 HydrophobicContact CE1-CG 3.83Å; F296-L304 HydrophobicContact CG-CD1 4.28Å; F296-L304 HydrophobicContact CG-CD2 4.35Å; F296-L304 HydrophobicContact CZ-CD2 4.21Å; I299-L304 HydrophobicContact CB-CD2 3.81Å; I299-L304 HydrophobicContact CB-CG 4.2Å; I299-L304 HydrophobicContact CD1-CD2 4.26Å; I299-L304 HydrophobicContact CG2-CD2 3.6Å; I299-L304 HydrophobicContact CG2-CG 3.81Å; I299-L304 WeakPolarHBondContact O-CD1 3.18Å; P300-L304 PolarHBondContact O-N 3.22Å; L301-L304 HydrophobicContact CD1-CD1 4.43Å; L301-L304 WeakPolarHBondContact O-CB 3.48Å; L301-L304 PolarHBondContact O-N 3.25Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 3.26Å; L304-G306 VanDerWaalsContact C-N 3.28Å; L304-G306 PolarHBondContact O-N 3.49Å; L304-M307 WeakPolarHBondContact O-CB 3.44Å; L304-M307 PolarHBondContact O-N 3.02Å; L304-M307 VanDerWaalsContact O-N 3.15Å; L304-V308 WeakPolarHBondContact O-CG2 3.3Å; L304-V308 PolarHBondContact O-N 3.47Å
305K93.6Very high87.1Confident12 Ų1237 Ų375%0.05218%0.179CC..Hα-helixtrans-59.7-43.1174.6-68.9-157.5-175.2-171.30110.6L127 T265 D283 L285 V287 L301 L302 M307 V308 Y309L127-K305 HydrophobicContact CD2-CB 3.79Å; T265-K305 HydrophobicContact CG2-CD 3.88Å; D283-K305 HydrophobicContact CB-CD 4.44Å; D283-K305 PolarHBondContact O-NZ 3.29Å; D283-K305 IonicContact OD1-NZ 3.94Å; D283-K305 PolarHBondContact OD1-NZ 2.99Å; D283-K305 WeakPolarHBondContact OD2-CD 3.23Å; D283-K305 IonicContact OD2-NZ 3.38Å; L285-K305 HydrophobicContact CB-CD 4.33Å; L285-K305 HydrophobicContact CD2-CB 4.32Å; L285-K305 HydrophobicContact CD2-CD 4.43Å; L285-K305 HydrophobicContact CD2-CG 4.23Å; L285-K305 WeakPolarHBondContact O-CE 3.46Å; L285-K305 PolarHBondContact O-NZ 3.13Å; V287-K305 HydrophobicContact CG2-CG 4.07Å; L301-K305 HydrophobicContact CD1-CG 4.44Å; L301-K305 PolarHBondContact O-N 2.99Å; L302-K305 PolarHBondContact O-N 3.23Å; K305-M307 VanDerWaalsContact C-N 3.33Å; K305-M307 PolarHBondContact O-N 2.98Å; K305-V308 WeakPolarHBondContact O-CB 3.08Å; K305-V308 PolarHBondContact O-N 3.31Å; K305-V308 VanDerWaalsContact O-N 3.13Å; K305-Y309 HydrophobicContact CB-CE2 4.25Å; K305-Y309 WeakPolarHBondContact O-CD2 3.47Å; K305-Y309 PolarHBondContact O-N 3.36Å
306G95.4Very high89.4Confident0 Ų041.5 Ų41.50%020%0.198CC..Hα-helixtrans-56.5-43.6173.300000112.7L302 Y303 L304 V308 Y309 M310L302-G306 PolarHBondContact O-N 2.68Å; Y303-G306 PolarHBondContact O-N 3.17Å; L304-G306 VanDerWaalsContact C-N 3.28Å; L304-G306 PolarHBondContact O-N 3.49Å; G306-V308 VanDerWaalsContact C-N 3.35Å; G306-V308 PolarHBondContact O-N 2.95Å; G306-Y309 PolarHBondContact O-N 3.34Å; G306-M310 VanDerWaalsContact O-CB 3.31Å; G306-M310 WeakPolarHBondContact O-CB 3.23Å; G306-M310 PolarHBondContact O-N 2.82Å
307M94.9Very high91.3Very high12 Ų1240.8 Ų40.86%0.05920%0.195CC..Hα-helixtrans-60.4-42.9174.8-72176.3-166.300111.7T15 V18 L22 V123 Y303 L304 K305 M310 V311T15-M307 HydrophobicContact CG2-CE 3.94Å; V18-M307 HydrophobicContact CB-SD 4.44Å; V18-M307 HydrophobicContact CG1-SD 3.9Å; L22-M307 HydrophobicContact CD1-CB 3.92Å; V123-M307 HydrophobicContact CB-CG 4.49Å; V123-M307 HydrophobicContact CG1-CB 4.38Å; V123-M307 HydrophobicContact CG1-CG 3.68Å; Y303-M307 WeakPolarHBondContact O-CG 3.44Å; Y303-M307 PolarHBondContact O-N 3.2Å; L304-M307 WeakPolarHBondContact O-CB 3.44Å; L304-M307 PolarHBondContact O-N 3.02Å; L304-M307 VanDerWaalsContact O-N 3.15Å; K305-M307 VanDerWaalsContact C-N 3.33Å; K305-M307 PolarHBondContact O-N 2.98Å; M307-M310 PolarHBondContact O-N 3.03Å; M307-V311 VanDerWaalsContact O-CG2 3.26Å; M307-V311 WeakPolarHBondContact O-CG2 3.41Å; M307-V311 PolarHBondContact O-N 3.03Å
308V95.3Very high92.8Very high19 Ų1931.7 Ų31.712%0.11516%0.156CC..Hα-helixtrans-58.8-52.61771770000110.6L22 L285 L304 K305 G306 M310 V311 Q312L22-V308 HydrophobicContact CD1-CG2 3.98Å; L22-V308 HydrophobicContact CD2-CG2 3.74Å; L285-V308 HydrophobicContact CD2-CB 3.95Å; L285-V308 HydrophobicContact CD2-CG1 3.82Å; L285-V308 HydrophobicContact CD2-CG2 4.33Å; L304-V308 WeakPolarHBondContact O-CG2 3.3Å; L304-V308 PolarHBondContact O-N 3.47Å; K305-V308 WeakPolarHBondContact O-CB 3.08Å; K305-V308 PolarHBondContact O-N 3.31Å; K305-V308 VanDerWaalsContact O-N 3.13Å; G306-V308 VanDerWaalsContact C-N 3.35Å; G306-V308 PolarHBondContact O-N 2.95Å; V308-M310 VanDerWaalsContact C-N 3.33Å; V308-M310 PolarHBondContact O-N 3.29Å; V308-V311 PolarHBondContact O-N 3.37Å; V308-Q312 WeakPolarHBondContact O-CG 3.34Å; V308-Q312 PolarHBondContact O-N 3.4Å
309Y96.6Very high93.7Very high46 Ų4629.6 Ų29.618%0.1814%0.141CC..Hα-helixtrans-63.9-37.3-179.9-67.3-63.1000112.6F126 L127 P128 D283 L285 K305 G306 Q312 A313F126-Y309 WeakPolarHBondContact O-CB 3.41Å; L127-Y309 HydrophobicContact CD2-CD2 4.45Å; P128-Y309 VanDerWaalsContact CD-CD2 3.47Å; P128-Y309 HydrophobicContact CG-CD1 4.39Å; P128-Y309 HydrophobicContact CG-CD2 4.07Å; P128-Y309 HydrophobicContact CG-CE1 3.9Å; P128-Y309 HydrophobicContact CG-CE2 3.55Å; P128-Y309 HydrophobicContact CG-CG 4.46Å; P128-Y309 VanDerWaalsContact CG-CZ 3.44Å; D283-Y309 PolarHBondContact OD1-OH 2.88Å; D283-Y309 VanDerWaalsContact OD1-OH 3.1Å; D283-Y309 WeakPolarHBondContact OD2-CE2 3.45Å; D283-Y309 PolarHBondContact OD2-OH 2.95Å; L285-Y309 WeakPolarHBondContact CB-OH 3.43Å; L285-Y309 HydrophobicContact CD2-CD2 4.5Å; L285-Y309 HydrophobicContact CD2-CE1 4.38Å; L285-Y309 HydrophobicContact CD2-CE2 3.86Å; K305-Y309 HydrophobicContact CB-CE2 4.25Å; K305-Y309 WeakPolarHBondContact O-CD2 3.47Å; K305-Y309 PolarHBondContact O-N 3.36Å; G306-Y309 PolarHBondContact O-N 3.34Å; Y309-Q312 PolarHBondContact O-N 3.3Å; Y309-A313 WeakPolarHBondContact O-CB 3.44Å; Y309-A313 PolarHBondContact O-N 2.84Å
310M96.9Very high93.6Very high15 Ų1533.8 Ų33.87%0.07416%0.164CC..Hα-helixtrans-62.7-44.4174.7-177.9-179.471.500111.7V123 F126 G306 M307 V308 Q312 A313 L314V123-M310 HydrophobicContact CG1-CB 4.49Å; V123-M310 HydrophobicContact CG1-CE 3.79Å; V123-M310 HydrophobicContact CG1-SD 3.85Å; F126-M310 HydrophobicContact CB-CB 4.37Å; F126-M310 HydrophobicContact CD1-CB 4.27Å; F126-M310 HydrophobicContact CD2-CB 3.72Å; F126-M310 HydrophobicContact CD2-CG 3.87Å; F126-M310 HydrophobicContact CD2-SD 4.43Å; F126-M310 HydrophobicContact CE1-CB 4.49Å; F126-M310 HydrophobicContact CE1-CG 4.39Å; F126-M310 HydrophobicContact CE2-CB 3.97Å; F126-M310 HydrophobicContact CE2-CG 3.58Å; F126-M310 HydrophobicContact CE2-SD 4.08Å; F126-M310 HydrophobicContact CG-CB 3.86Å; F126-M310 HydrophobicContact CG-CG 4.38Å; F126-M310 HydrophobicContact CZ-CB 4.33Å; F126-M310 HydrophobicContact CZ-CG 3.85Å; G306-M310 VanDerWaalsContact O-CB 3.31Å; G306-M310 WeakPolarHBondContact O-CB 3.23Å; G306-M310 PolarHBondContact O-N 2.82Å; M307-M310 PolarHBondContact O-N 3.03Å; V308-M310 VanDerWaalsContact C-N 3.33Å; V308-M310 PolarHBondContact O-N 3.29Å; M310-Q312 VanDerWaalsContact C-N 3.33Å; M310-Q312 PolarHBondContact O-N 3.34Å; M310-A313 PolarHBondContact O-N 2.91Å; M310-L314 WeakPolarHBondContact O-CB 3.17Å; M310-L314 PolarHBondContact O-N 2.89Å
311V96.6Very high93.5Very high2 Ų234.9 Ų34.91%0.01217%0.167CC..Hα-helixtrans-67.8-34.8178.91790000111.3L19 L22 L23 E26 F28 M307 V308 L314 R315L19-V311 HydrophobicContact CD1-CG2 3.67Å; L22-V311 HydrophobicContact CB-CG2 4.31Å; L23-V311 HydrophobicContact CD2-CG1 3.94Å; L23-V311 HydrophobicContact CD2-CG2 4.44Å; L23-V311 HydrophobicContact CG-CG1 4.4Å; E26-V311 HydrophobicContact CB-CG1 3.87Å; E26-V311 HydrophobicContact CG-CG1 3.73Å; F28-V311 HydrophobicContact CE2-CG1 4.4Å; M307-V311 VanDerWaalsContact O-CG2 3.26Å; M307-V311 WeakPolarHBondContact O-CG2 3.41Å; M307-V311 PolarHBondContact O-N 3.03Å; V308-V311 PolarHBondContact O-N 3.37Å; V311-L314 WeakPolarHBondContact O-CB 3.31Å; V311-L314 PolarHBondContact O-N 3.26Å; V311-R315 PolarHBondContact O-N 3.46Å
312Q96Very high93.1Very high59 Ų5939 Ų3928%0.27618%0.184SC..Hα-helixtrans-63.8-45.5172.7-73172.4-12.500112.1E26 V308 Y309 M310 L314 R315 Q316E26-Q312 HydrophobicContact CG-CG 4.35Å; E26-Q312 WeakPolarHBondContact OE1-CG 3.41Å; V308-Q312 WeakPolarHBondContact O-CG 3.34Å; V308-Q312 PolarHBondContact O-N 3.4Å; Y309-Q312 PolarHBondContact O-N 3.3Å; M310-Q312 VanDerWaalsContact C-N 3.33Å; M310-Q312 PolarHBondContact O-N 3.34Å; Q312-L314 VanDerWaalsContact C-N 3.29Å; Q312-L314 PolarHBondContact O-N 3.45Å; Q312-R315 WeakPolarHBondContact O-CB 3.38Å; Q312-R315 PolarHBondContact O-N 2.86Å; Q312-Q316 WeakPolarHBondContact O-CG 3.35Å; Q312-Q316 PolarHBondContact O-N 3Å; Q312-Q316 VanDerWaalsContact O-N 3.09Å
313A96.9Very high92.7Very high10 Ų1042.8 Ų42.88%0.08320%0.204CC..Hα-helixtrans-62.1-38.6173.800000111.9F126 Y309 M310 Q316 S317 P331 V332F126-A313 HydrophobicContact CD1-CB 4Å; F126-A313 HydrophobicContact CE1-CB 3.63Å; Y309-A313 WeakPolarHBondContact O-CB 3.44Å; Y309-A313 PolarHBondContact O-N 2.84Å; M310-A313 PolarHBondContact O-N 2.91Å; A313-Q316 PolarHBondContact O-N 3.15Å; A313-S317 PolarHBondContact O-N 3.15Å; A313-S317 VanDerWaalsContact O-N 3.08Å; A313-S317 PolarHBondContact O-OG 3.4Å; A313-P331 WeakPolarHBondContact CB-O 3.42Å; A313-P331 WeakPolarHBondContact O-CB 3.46Å; A313-V332 HydrophobicContact CB-CG1 3.94Å
314L96.1Very high92.2Very high4 Ų446.5 Ų46.52%0.02122%0.218CC..Hα-helixtrans-61.9-47.3175.2-175.267.9000111.4L23 F28 L68 I93 M117 M310 V311 Q312 Q316 S317 F318L23-L314 HydrophobicContact CD2-CD2 4.06Å; F28-L314 HydrophobicContact CE1-CD2 4.42Å; F28-L314 HydrophobicContact CE1-CG 4.44Å; F28-L314 HydrophobicContact CE2-CD2 4.33Å; F28-L314 HydrophobicContact CE2-CG 4.46Å; F28-L314 HydrophobicContact CZ-CB 4.41Å; F28-L314 HydrophobicContact CZ-CD2 3.94Å; F28-L314 HydrophobicContact CZ-CG 3.8Å; L68-L314 HydrophobicContact CD2-CD1 4.31Å; L68-L314 HydrophobicContact CD2-CD2 3.76Å; L68-L314 HydrophobicContact CD2-CG 4.39Å; I93-L314 HydrophobicContact CD1-CD1 3.79Å; I93-L314 HydrophobicContact CD1-CD2 3.68Å; I93-L314 HydrophobicContact CD1-CG 4.34Å; M117-L314 HydrophobicContact CE-CD1 3.78Å; M117-L314 HydrophobicContact SD-CD1 3.65Å; M310-L314 WeakPolarHBondContact O-CB 3.17Å; M310-L314 PolarHBondContact O-N 2.89Å; V311-L314 WeakPolarHBondContact O-CB 3.31Å; V311-L314 PolarHBondContact O-N 3.26Å; Q312-L314 VanDerWaalsContact C-N 3.29Å; Q312-L314 PolarHBondContact O-N 3.45Å; L314-Q316 VanDerWaalsContact C-N 3.3Å; L314-Q316 PolarHBondContact O-N 3.35Å; L314-S317 VanDerWaalsContact O-CB 3.31Å; L314-S317 WeakPolarHBondContact O-CB 3.44Å; L314-S317 PolarHBondContact O-N 3.46Å; L314-F318 HydrophobicContact CD1-CD2 4.27Å; L314-F318 HydrophobicContact CD1-CE2 3.7Å; L314-F318 HydrophobicContact CG-CD2 4.43Å; L314-F318 HydrophobicContact CG-CE2 4.26Å; L314-F318 WeakPolarHBondContact O-CD2 3.41Å; L314-F318 PolarHBondContact O-N 2.84Å
315R95.4Very high91.8Very high87 Ų8751.3 Ų51.333%0.32824%0.236SC..Hα-helixtrans-54.4-47.9174.7177.8-172.7166.592.5-1.1111.2L4 E26 F28 V311 Q312 S317 F318 Q319L4-R315 HydrophobicContact CD1-CG 4.42Å; E26-R315 HydrophobicContact CB-CB 4.32Å; E26-R315 WeakPolarHBondContact O-CD 3.45Å; E26-R315 PolarHBondContact O-NH1 3.4Å; E26-R315 WeakPolarHBondContact OE2-CD 3.23Å; E26-R315 IonicContact OE2-NE 3.82Å; F28-R315 HydrophobicContact CE2-CB 3.93Å; F28-R315 HydrophobicContact CZ-CB 4.3Å; V311-R315 PolarHBondContact O-N 3.46Å; Q312-R315 WeakPolarHBondContact O-CB 3.38Å; Q312-R315 PolarHBondContact O-N 2.86Å; R315-S317 PolarHBondContact O-N 3.27Å; R315-F318 PolarHBondContact O-N 3.41Å; R315-F318 VanDerWaalsContact O-N 3.11Å; R315-Q319 WeakPolarHBondContact O-CB 3.19Å; R315-Q319 PolarHBondContact O-N 3.26Å
316Q95.4Very high91.5Very high100 Ų10053.9 Ų53.947%0.46725%0.253SS..Hα-helixtrans-60-32.7178.9-70.3174.53.700112.5Q312 A313 L314 F318 P331Q312-Q316 WeakPolarHBondContact O-CG 3.35Å; Q312-Q316 PolarHBondContact O-N 3Å; Q312-Q316 VanDerWaalsContact O-N 3.09Å; A313-Q316 PolarHBondContact O-N 3.15Å; L314-Q316 VanDerWaalsContact C-N 3.3Å; L314-Q316 PolarHBondContact O-N 3.35Å; Q316-F318 PolarHBondContact O-N 2.8Å; Q316-P331 HydrophobicContact CB-CB 3.77Å; Q316-P331 HydrophobicContact CB-CG 3.83Å
317S95.1Very high91.4Very high0 Ų056 Ų560%026%0.261CS..Hα-helixtrans-65.5-27.7178.6-55.30000112.7A313 L314 R315 W327 D328A313-S317 PolarHBondContact O-N 3.15Å; A313-S317 VanDerWaalsContact O-N 3.08Å; A313-S317 PolarHBondContact O-OG 3.4Å; L314-S317 VanDerWaalsContact O-CB 3.31Å; L314-S317 WeakPolarHBondContact O-CB 3.44Å; L314-S317 PolarHBondContact O-N 3.46Å; R315-S317 PolarHBondContact O-N 3.27Å; S317-W327 CarbonylContact O-C 3.52Å; S317-W327 WeakPolarHBondContact O-CA 3.47Å; S317-D328 VanDerWaalsContact CB-O 3.27Å; S317-D328 WeakPolarHBondContact CB-O 3.41Å; S317-D328 PolarHBondContact O-N 3.32Å; S317-D328 PolarHBondContact OG-O 3.08Å
318F93.9Very high91.4Very high8 Ų858.3 Ų58.34%0.03527%0.273CS..Hα-helixtrans-107.1-20.5-176-71-77.1000114.8L4 P5 F28 M117 L314 R315 Q316 D320 Q321 T326 W327L4-F318 HydrophobicContact CD2-CB 3.66Å; P5-F318 HydrophobicContact CB-CE1 4.48Å; P5-F318 HydrophobicContact CG-CB 4.45Å; P5-F318 HydrophobicContact CG-CD1 3.72Å; P5-F318 HydrophobicContact CG-CD2 3.88Å; P5-F318 HydrophobicContact CG-CE1 3.81Å; P5-F318 HydrophobicContact CG-CE2 3.99Å; P5-F318 HydrophobicContact CG-CG 3.76Å; P5-F318 HydrophobicContact CG-CZ 3.96Å; F28-F318 HydrophobicContact CE1-CD2 4.22Å; F28-F318 HydrophobicContact CZ-CD2 4.38Å; M117-F318 HydrophobicContact CE-CE2 3.85Å; M117-F318 HydrophobicContact CE-CZ 3.98Å; L314-F318 HydrophobicContact CD1-CD2 4.27Å; L314-F318 HydrophobicContact CD1-CE2 3.7Å; L314-F318 HydrophobicContact CG-CD2 4.43Å; L314-F318 HydrophobicContact CG-CE2 4.26Å; L314-F318 WeakPolarHBondContact O-CD2 3.41Å; L314-F318 PolarHBondContact O-N 2.84Å; R315-F318 PolarHBondContact O-N 3.41Å; R315-F318 VanDerWaalsContact O-N 3.11Å; Q316-F318 PolarHBondContact O-N 2.8Å; F318-D320 VanDerWaalsContact C-N 3.25Å; F318-D320 PolarHBondContact O-N 2.85Å; F318-D320 VanDerWaalsContact O-N 3.08Å; F318-Q321 PolarHBondContact O-N 3.12Å; F318-T326 VanDerWaalsContact CD1-O 3.28Å; F318-T326 WeakPolarHBondContact CD1-O 3.2Å; F318-W327 HydrophobicContact CD1-CB 3.96Å; F318-W327 HydrophobicContact CE1-CB 3.62Å; F318-W327 HydrophobicContact CE1-CG 4.44Å; F318-W327 HydrophobicContact CE2-CB 4.48Å; F318-W327 HydrophobicContact CZ-CB 3.89Å; F318-W327 HydrophobicContact CZ-CG 4.47Å
319Q87.8Confident91.3Very high83 Ų8362.5 Ų62.539%0.38829%0.291SS..THydrogen-bonded Turntrans-60.2-26.8-166.271.2-172.6-0.300115.5R315R315-Q319 WeakPolarHBondContact O-CB 3.19Å; R315-Q319 PolarHBondContact O-N 3.26Å
320D84.2Confident91.2Very high114 Ų11467.7 Ų67.761%0.6132%0.315SS*.THydrogen-bonded Turntrans-106.84-175.2-65.3-48000113.9K2 F318K2-D320 PolarHBondContact NZ-O 2.84Å; F318-D320 VanDerWaalsContact C-N 3.25Å; F318-D320 PolarHBondContact O-N 2.85Å; F318-D320 VanDerWaalsContact O-N 3.08Å
321Q85.5Confident91.1Very high50 Ų5068.5 Ų68.523%0.23432%0.321CS..  trans-84.9143.8-171.8-54.9-61.6-29.800112.4K2 F318 T326K2-Q321 VanDerWaalsContact CD-O 3.31Å; K2-Q321 WeakPolarHBondContact CD-O 3.46Å; F318-Q321 PolarHBondContact O-N 3.12Å; Q321-T326 WeakPolarHBondContact CB-O 3.05Å; Q321-T326 WeakPolarHBondContact CG-O 3.3Å
322E81.4Confident91.1Very high181 Ų18168.6 Ų68.685%0.84632%0.322SS*.SBendtrans-78.8-34.6178.8-66.9-173.8170.800112.8
323D84.5Confident91.1Very high85 Ų8569.2 Ų69.246%0.45533%0.333SS..SBendtrans-107.5134.8176-175.5-25000109.1R325 T326D323-R325 PolarHBondContact O-N 3.42Å; D323-R325 VanDerWaalsContact O-N 3.14Å; D323-R325 PolarHBondContact OD1-N 3.02Å; D323-T326 PolarHBondContact O-N 3.23Å
324R82.9Confident91Very high85 Ų8570.8 Ų70.832%0.32134%0.339SS..THydrogen-bonded Turntrans-59.2-23.7179.2-56.7-170-166.4162.99.7113.2M3 P5 D67M3-R324 VanDerWaalsContact CE-CZ 3.44Å; P5-R324 WeakPolarHBondContact CB-O 3.26Å; D67-R324 WeakPolarHBondContact OD2-CB 3.17Å
325R82.4Confident91Very high105 Ų10571.1 Ų71.140%0.39634%0.342SS..THydrogen-bonded Turntrans-87.8-19.1178.8-63.1-176.8-175.4173.36.5113.4D67 N91 D323D67-R325 HydrophobicContact CB-CG 4.08Å; D67-R325 VanDerWaalsContact OD1-CG 3.29Å; D67-R325 WeakPolarHBondContact OD1-CG 3.47Å; D67-R325 IonicContact OD1-CZ 3.91Å; D67-R325 IonicContact OD1-NE 3.97Å; D67-R325 PolarHBondContact OD1-NE 3.21Å; D67-R325 IonicContact OD1-NH2 3.78Å; N91-R325 PolarHBondContact ND2-O 3.17Å; D323-R325 PolarHBondContact O-N 3.42Å; D323-R325 VanDerWaalsContact O-N 3.14Å; D323-R325 PolarHBondContact OD1-N 3.02Å
326T88.1Confident91.1Very high67 Ų6767 Ų6741%0.41133%0.327SS..  trans-83.5146.7178.5-55.60000109.5F318 Q321 D323F318-T326 VanDerWaalsContact CD1-O 3.28Å; F318-T326 WeakPolarHBondContact CD1-O 3.2Å; Q321-T326 WeakPolarHBondContact CB-O 3.05Å; Q321-T326 WeakPolarHBondContact CG-O 3.3Å; D323-T326 PolarHBondContact O-N 3.23Å
327W93.4Very high91.2Very high45 Ų4564.1 Ų64.117%0.1732%0.318CS..  trans-147.3153.3-177.161.1-73.2000110.5K115 M117 S317 F318 H329 V332K115-W327 PolarHBondContact O-NE1 3.04Å; M117-W327 VanDerWaalsContact CA-CZ2 3.45Å; M117-W327 HydrophobicContact CB-CD2 4.11Å; M117-W327 HydrophobicContact CB-CH2 4.19Å; M117-W327 HydrophobicContact CB-CZ2 3.8Å; M117-W327 HydrophobicContact CE-CB 4.32Å; M117-W327 HydrophobicContact CE-CD2 3.66Å; M117-W327 HydrophobicContact CE-CE3 3.36Å; M117-W327 HydrophobicContact CE-CG 4.06Å; M117-W327 HydrophobicContact CE-CZ3 3.83Å; M117-W327 HydrophobicContact CG-CH2 4.29Å; M117-W327 HydrophobicContact CG-CZ2 4.4Å; M117-W327 HydrophobicContact CG-CZ3 4.39Å; S317-W327 CarbonylContact O-C 3.52Å; S317-W327 WeakPolarHBondContact O-CA 3.47Å; F318-W327 HydrophobicContact CD1-CB 3.96Å; F318-W327 HydrophobicContact CE1-CB 3.62Å; F318-W327 HydrophobicContact CE1-CG 4.44Å; F318-W327 HydrophobicContact CE2-CB 4.48Å; F318-W327 HydrophobicContact CZ-CB 3.89Å; F318-W327 HydrophobicContact CZ-CG 4.47Å; W327-H329 HydrophobicContact CE3-CB 4.25Å; W327-H329 HydrophobicContact CH2-CB 4Å; W327-H329 AromaticContact CH2-CD2 3.67Å; W327-H329 HydrophobicContact CZ3-CB 3.66Å; W327-H329 AromaticContact CZ3-CD2 3.79Å; W327-V332 HydrophobicContact CE3-CG2 4.1Å; W327-V332 HydrophobicContact CZ3-CG2 3.63Å
328D94Very high91.4Very high59 Ų5964.3 Ų64.332%0.31632%0.319SS..  trans-90.1128.6166.5-176.23.8000109.3S317 K330 P331S317-D328 VanDerWaalsContact CB-O 3.27Å; S317-D328 WeakPolarHBondContact CB-O 3.41Å; S317-D328 PolarHBondContact O-N 3.32Å; S317-D328 PolarHBondContact OG-O 3.08Å; D328-K330 VanDerWaalsContact C-N 3.34Å; D328-K330 WeakPolarHBondContact OD1-CG 3.47Å; D328-K330 PolarHBondContact OD1-N 2.74Å; D328-P331 WeakPolarHBondContact O-CD 3.48Å
329H93.2Very high91.5Very high107 Ų10768.8 Ų68.850%0.49534%0.339SS..SBendtrans-72-25.4177.9172.2-90.4000113.6W327 V332 S333W327-H329 HydrophobicContact CE3-CB 4.25Å; W327-H329 HydrophobicContact CH2-CB 4Å; W327-H329 AromaticContact CH2-CD2 3.67Å; W327-H329 HydrophobicContact CZ3-CB 3.66Å; W327-H329 AromaticContact CZ3-CD2 3.79Å; H329-V332 CarbonylContact O-C 3.59Å; H329-V332 PolarHBondContact O-N 3Å; H329-S333 VanDerWaalsContact CE1-CA 3.41Å; H329-S333 WeakPolarHBondContact CE1-CA 3.06Å; H329-S333 VanDerWaalsContact CE1-CB 3.42Å; H329-S333 WeakPolarHBondContact CE1-CB 3.38Å; H329-S333 WeakPolarHBondContact O-CA 3.33Å; H329-S333 PolarHBondContact O-N 2.91Å
330K95.1Very high92Very high155 Ų15566.4 Ų66.467%0.67433%0.33SS*.G310 helixtrans-55-46.5-171.3-67.3172.9-174.1171.30114.3D328 V332 S333D328-K330 VanDerWaalsContact C-N 3.34Å; D328-K330 WeakPolarHBondContact OD1-CG 3.47Å; D328-K330 PolarHBondContact OD1-N 2.74Å; K330-V332 PolarHBondContact O-N 2.94Å; K330-S333 WeakPolarHBondContact O-CB 3.42Å; K330-S333 PolarHBondContact O-N 3.48Å; K330-S333 PolarHBondContact O-OG 3.28Å
331P95.8Very high92.6Very high32 Ų3261.3 Ų61.321%0.20830%0.303CS..G310 helixtrans-66.3-27.6-176.1-23.137.2000113.4A313 Q316 D328A313-P331 WeakPolarHBondContact CB-O 3.42Å; A313-P331 WeakPolarHBondContact O-CB 3.46Å; Q316-P331 HydrophobicContact CB-CB 3.77Å; Q316-P331 HydrophobicContact CB-CG 3.83Å; D328-P331 WeakPolarHBondContact O-CD 3.48Å
332V95.9Very high93.2Very high4 Ų459.2 Ų59.22%0.02429%0.294CS..G310 helixtrans-10918.5179.3-65.60000112.4M117 I119 F126 A313 W327 H329 K330 M334 A335M117-V332 HydrophobicContact CE-CG2 4.24Å; I119-V332 HydrophobicContact CD1-CB 3.97Å; I119-V332 HydrophobicContact CD1-CG2 3.86Å; F126-V332 HydrophobicContact CE1-CG1 4.33Å; F126-V332 HydrophobicContact CZ-CB 4.46Å; F126-V332 HydrophobicContact CZ-CG1 4.32Å; A313-V332 HydrophobicContact CB-CG1 3.94Å; W327-V332 HydrophobicContact CE3-CG2 4.1Å; W327-V332 HydrophobicContact CZ3-CG2 3.63Å; H329-V332 CarbonylContact O-C 3.59Å; H329-V332 PolarHBondContact O-N 3Å; K330-V332 PolarHBondContact O-N 2.94Å; V332-M334 PolarHBondContact O-N 2.94Å; V332-A335 HydrophobicContact CB-CB 4.34Å; V332-A335 WeakPolarHBondContact O-CB 3.32Å; V332-A335 PolarHBondContact O-N 3.48Å
333S95.4Very high93.9Very high73 Ų7350.8 Ų50.851%0.5125%0.254SS..THydrogen-bonded Turntrans-64.2-18.7-175.168.70000113.8H329 K330H329-S333 VanDerWaalsContact CE1-CA 3.41Å; H329-S333 WeakPolarHBondContact CE1-CA 3.06Å; H329-S333 VanDerWaalsContact CE1-CB 3.42Å; H329-S333 WeakPolarHBondContact CE1-CB 3.38Å; H329-S333 WeakPolarHBondContact O-CA 3.33Å; H329-S333 PolarHBondContact O-N 2.91Å; K330-S333 WeakPolarHBondContact O-CB 3.42Å; K330-S333 PolarHBondContact O-N 3.48Å; K330-S333 PolarHBondContact O-OG 3.28Å
334M95.3Very high94.6Very high43 Ų4346.7 Ų46.721%0.21223%0.233CC..THydrogen-bonded Turntrans-85.2-14.2175.873-157.9-36.600113.4R125 F126 V131 V332R125-M334 WeakPolarHBondContact CD-O 3.41Å; R125-M334 PolarHBondContact NH1-O 3.14Å; R125-M334 VanDerWaalsContact O-CE 3.26Å; R125-M334 WeakPolarHBondContact O-CE 3.42Å; F126-M334 HydrophobicContact CD1-CG 4.21Å; F126-M334 HydrophobicContact CD1-SD 4.03Å; F126-M334 HydrophobicContact CE1-CG 4.04Å; F126-M334 HydrophobicContact CE1-SD 4.32Å; F126-M334 HydrophobicContact CZ-CG 4.37Å; V131-M334 HydrophobicContact CB-CE 4.27Å; V131-M334 HydrophobicContact CG1-CE 4.1Å; V131-M334 HydrophobicContact CG2-CE 3.46Å; V131-M334 VanDerWaalsContact CG2-CE 3.46Å; V131-M334 HydrophobicContact CG2-SD 4.37Å; V332-M334 PolarHBondContact O-N 2.94Å
335A97.3Very high95.2Very high11 Ų1142.7 Ų42.79%0.09122%0.218CC..SBendtrans-58.1148.4-176.400000111.5I119 R125 F126 V332 S337I119-A335 HydrophobicContact CB-CB 4.47Å; I119-A335 HydrophobicContact CD1-CB 3.8Å; I119-A335 HydrophobicContact CG1-CB 4.02Å; I119-A335 HydrophobicContact CG2-CB 3.65Å; R125-A335 PolarHBondContact NH1-O 2.55Å; F126-A335 HydrophobicContact CE2-CB 4.02Å; F126-A335 HydrophobicContact CZ-CB 3.74Å; V332-A335 HydrophobicContact CB-CB 4.34Å; V332-A335 WeakPolarHBondContact O-CB 3.32Å; V332-A335 PolarHBondContact O-N 3.48Å; A335-S337 PolarHBondContact O-N 3.07Å
336A97.5Very high95.9Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-69.6128.6171.500000109.2I119 V120 N122 D340I119-A336 CarbonylContact C-O 3.54Å; I119-A336 WeakPolarHBondContact CA-O 3.36Å; V120-A336 HydrophobicContact CB-CB 4.05Å; V120-A336 PolarHBondContact N-O 3.35Å; N122-A336 HydrophobicContact CB-CB 3.97Å; A336-D340 HydrophobicContact CB-CB 4.1Å
337S97.3Very high96.4Very high39 Ų3934.8 Ų34.827%0.27318%0.181SC..EExtended strand (participates in β ladder)trans-83.1171.2174.167.10000111.3V120 A335 E339 D340 G341V120-S337 VanDerWaalsContact CG2-O 3.26Å; V120-S337 WeakPolarHBondContact CG2-O 3.28Å; A335-S337 PolarHBondContact O-N 3.07Å; S337-E339 PolarHBondContact O-N 3.43Å; S337-E339 PolarHBondContact OG-N 2.92Å; S337-D340 WeakPolarHBondContact CB-OD2 3.49Å; S337-D340 PolarHBondContact N-OD2 2.83Å; S337-D340 WeakPolarHBondContact O-CB 3.45Å; S337-D340 PolarHBondContact O-N 3.19Å; S337-D340 PolarHBondContact OG-N 3.09Å; S337-D340 VanDerWaalsContact OG-N 3.13Å; S337-D340 PolarHBondContact OG-OD2 3.42Å; S337-G341 PolarHBondContact O-N 3.26Å
338F97.6Very high96.6Very high5 Ų532.7 Ų32.72%0.02217%0.173CC..Hα-helixtrans-61.7-26.1168.8-73.2-0.7000112.7A82 L86 V92 C94 M106 V107 A110 V120 G341 L342A82-F338 HydrophobicContact CB-CE2 4.31Å; A82-F338 HydrophobicContact CB-CZ 4.18Å; L86-F338 HydrophobicContact CD1-CD2 4.43Å; L86-F338 HydrophobicContact CD1-CE2 3.85Å; V92-F338 HydrophobicContact CB-CZ 4.44Å; V92-F338 HydrophobicContact CG1-CZ 3.86Å; C94-F338 HydrophobicContact CB-CE1 3.92Å; C94-F338 HydrophobicContact CB-CZ 3.95Å; M106-F338 HydrophobicContact CB-CD2 3.66Å; M106-F338 HydrophobicContact CB-CE2 3.93Å; M106-F338 HydrophobicContact CB-CG 4.23Å; M106-F338 HydrophobicContact CE-CD1 3.99Å; M106-F338 HydrophobicContact CE-CD2 4.15Å; M106-F338 HydrophobicContact CE-CE1 3.56Å; M106-F338 HydrophobicContact CE-CE2 3.71Å; M106-F338 HydrophobicContact CE-CG 4.27Å; M106-F338 HydrophobicContact CE-CZ 3.39Å; M106-F338 WeakPolarHBondContact O-CD2 2.93Å; V107-F338 HydrophobicContact CG2-CB 3.97Å; V107-F338 WeakPolarHBondContact CG2-O 3.42Å; A110-F338 HydrophobicContact CB-CD2 3.93Å; V120-F338 HydrophobicContact CG2-CD1 3.81Å; V120-F338 HydrophobicContact CG2-CE1 4.37Å; F338-G341 CarbonylContact O-C 3.53Å; F338-G341 VanDerWaalsContact O-CA 3.28Å; F338-G341 WeakPolarHBondContact O-CA 3.5Å; F338-G341 PolarHBondContact O-N 3.44Å; F338-L342 PolarHBondContact O-N 3.49Å
339E96.9Very high96.8Very high101 Ų10132.8 Ų32.847%0.47217%0.172SC..Hα-helixtrans-70-40.2174.7-60.2-165.6150.100111.8V107 R111 S337 G341 L342 Y343V107-E339 HydrophobicContact CG1-CG 4.01Å; V107-E339 HydrophobicContact CG2-CG 4.26Å; R111-E339 IonicContact CZ-OE1 3.12Å; R111-E339 VanDerWaalsContact CZ-OE1 3.26Å; R111-E339 IonicContact NE-OE1 3.5Å; R111-E339 PolarHBondContact NE-OE1 3.43Å; R111-E339 IonicContact NH2-OE1 2.62Å; R111-E339 PolarHBondContact NH2-OE1 2.87Å; S337-E339 PolarHBondContact O-N 3.43Å; S337-E339 PolarHBondContact OG-N 2.92Å; E339-G341 PolarHBondContact O-N 2.88Å; E339-L342 PolarHBondContact O-N 3.41Å; E339-Y343 PolarHBondContact O-N 3.09Å
340D97.6Very high97Very high34 Ų3428.1 Ų28.118%0.18215%0.152CC..Hα-helixtrans-59.5-40.5167.8-61.8-76.6000110R125 A336 S337 L342 Y343 M344R125-D340 IonicContact NH1-OD2 2.68Å; R125-D340 VanDerWaalsContact NH2-CG 3.33Å; R125-D340 IonicContact NH2-OD1 2.68Å; R125-D340 PolarHBondContact NH2-OD1 3.28Å; R125-D340 IonicContact NH2-OD2 3.1Å; A336-D340 HydrophobicContact CB-CB 4.1Å; S337-D340 WeakPolarHBondContact CB-OD2 3.49Å; S337-D340 PolarHBondContact N-OD2 2.83Å; S337-D340 WeakPolarHBondContact O-CB 3.45Å; S337-D340 PolarHBondContact O-N 3.19Å; S337-D340 PolarHBondContact OG-N 3.09Å; S337-D340 VanDerWaalsContact OG-N 3.13Å; S337-D340 PolarHBondContact OG-OD2 3.42Å; D340-L342 PolarHBondContact O-N 3.4Å; D340-Y343 PolarHBondContact O-N 3Å; D340-M344 WeakPolarHBondContact O-CG 3.48Å; D340-M344 PolarHBondContact O-N 3.35Å
341G97.1Very high97.1Very high6 Ų620.7 Ų20.76%0.06212%0.119CC..Hα-helixtrans-49.3-53.3171.300000114.2S337 F338 E339 M344 Q345S337-G341 PolarHBondContact O-N 3.26Å; F338-G341 CarbonylContact O-C 3.53Å; F338-G341 VanDerWaalsContact O-CA 3.28Å; F338-G341 WeakPolarHBondContact O-CA 3.5Å; F338-G341 PolarHBondContact O-N 3.44Å; E339-G341 PolarHBondContact O-N 2.88Å; G341-M344 VanDerWaalsContact CA-CE 3.45Å; G341-M344 PolarHBondContact O-N 3.13Å; G341-Q345 WeakPolarHBondContact O-CG 3.31Å; G341-Q345 PolarHBondContact O-N 2.94Å
342L97.7Very high97.2Very high6 Ų620.4 Ų20.43%0.03112%0.115CC..Hα-helixtrans-63.8-45.1178.3175.660.1000111.5S100 A103 F104 V107 F338 E339 D340 M344 Q345 S346 V365 M366S100-L342 VanDerWaalsContact O-CD1 3.29Å; S100-L342 WeakPolarHBondContact O-CD1 3.44Å; A103-L342 HydrophobicContact CB-CB 4.09Å; A103-L342 HydrophobicContact CB-CD1 3.98Å; F104-L342 HydrophobicContact CB-CD1 4.05Å; F104-L342 HydrophobicContact CB-CD2 4.41Å; F104-L342 HydrophobicContact CD2-CD2 3.92Å; V107-L342 HydrophobicContact CG2-CB 3.86Å; V107-L342 HydrophobicContact CG2-CD2 4.21Å; F338-L342 PolarHBondContact O-N 3.49Å; E339-L342 PolarHBondContact O-N 3.41Å; D340-L342 PolarHBondContact O-N 3.4Å; L342-M344 PolarHBondContact O-N 3.42Å; L342-Q345 PolarHBondContact O-N 3.19Å; L342-S346 PolarHBondContact O-N 3.11Å; L342-S346 PolarHBondContact O-OG 3.44Å; L342-V365 HydrophobicContact CD2-CG1 3.95Å; L342-V365 HydrophobicContact CG-CG1 3.92Å; L342-M366 HydrophobicContact CD1-CB 4.29Å
343Y97.9Very high97.3Very high4 Ų425.5 Ų25.52%0.01614%0.137CC..Hα-helixtrans-60.4-44.6177.2164.5-101.3000112.3I183 T187 K193 A194 E339 D340 Q345 S346 V347 V363 V365I183-Y343 HydrophobicContact CG2-CE1 3.9Å; T187-Y343 HydrophobicContact CG2-CD1 4.48Å; T187-Y343 HydrophobicContact CG2-CE1 3.85Å; T187-Y343 WeakPolarHBondContact OG1-CE1 3.22Å; T187-Y343 PolarHBondContact OG1-OH 3.37Å; K193-Y343 WeakPolarHBondContact CA-OH 3.38Å; K193-Y343 HydrophobicContact CB-CE2 3.91Å; K193-Y343 HydrophobicContact CD-CD2 4.12Å; K193-Y343 HydrophobicContact CD-CE2 4Å; K193-Y343 HydrophobicContact CG-CE2 3.98Å; A194-Y343 PolarHBondContact N-OH 3.47Å; E339-Y343 PolarHBondContact O-N 3.09Å; D340-Y343 PolarHBondContact O-N 3Å; Y343-Q345 VanDerWaalsContact C-N 3.29Å; Y343-Q345 PolarHBondContact O-N 3.15Å; Y343-S346 WeakPolarHBondContact O-CB 3.43Å; Y343-S346 PolarHBondContact O-N 3.11Å; Y343-V347 HydrophobicContact CD2-CG2 4.18Å; Y343-V347 HydrophobicContact CE1-CG2 4.22Å; Y343-V347 HydrophobicContact CE2-CG2 3.67Å; Y343-V347 WeakPolarHBondContact O-CG2 3.33Å; Y343-V347 PolarHBondContact O-N 3.22Å; Y343-V363 HydrophobicContact CE2-CG1 4.4Å; Y343-V365 HydrophobicContact CD2-CG2 3.93Å
344M97.6Very high97.4Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-55.1-45.4174.7-75.5-176-83.500111.7V120 N122 T180 I183 D184 D340 G341 L342 V347 V348V120-M344 HydrophobicContact CG1-CE 4.08Å; N122-M344 WeakPolarHBondContact ND2-CE 3.38Å; N122-M344 PolarHBondContact ND2-SD 3.05Å; T180-M344 HydrophobicContact CG2-CB 4.38Å; I183-M344 HydrophobicContact CG2-CG 4.41Å; D184-M344 HydrophobicContact CB-CG 4.1Å; D184-M344 HydrophobicContact CB-SD 3.6Å; D184-M344 VanDerWaalsContact CB-SD 3.6Å; D340-M344 WeakPolarHBondContact O-CG 3.48Å; D340-M344 PolarHBondContact O-N 3.35Å; G341-M344 VanDerWaalsContact CA-CE 3.45Å; G341-M344 PolarHBondContact O-N 3.13Å; L342-M344 PolarHBondContact O-N 3.42Å; M344-V347 PolarHBondContact O-N 3Å; M344-V348 WeakPolarHBondContact O-CG2 3.06Å; M344-V348 PolarHBondContact O-N 3.17Å
345Q96.8Very high97.6Very high1 Ų121.4 Ų21.41%0.00511%0.112CC..Hα-helixtrans-67.6-38.8179.9-67.8-54.3-40.700112.4A97 A103 H176 G341 L342 Y343 V347 V348 E349A97-Q345 VanDerWaalsContact O-CD 3.25Å; A97-Q345 PolarHBondContact O-NE2 3.17Å; A97-Q345 VanDerWaalsContact O-NE2 3.12Å; A103-Q345 HydrophobicContact CB-CG 4.22Å; H176-Q345 PolarHBondContact CE1-NE2 3.31Å; H176-Q345 PolarHBondContact CE1-OE1 3.13Å; H176-Q345 PolarHBondContact ND1-OE1 3.34Å; G341-Q345 WeakPolarHBondContact O-CG 3.31Å; G341-Q345 PolarHBondContact O-N 2.94Å; L342-Q345 PolarHBondContact O-N 3.19Å; Y343-Q345 VanDerWaalsContact C-N 3.29Å; Y343-Q345 PolarHBondContact O-N 3.15Å; Q345-V347 VanDerWaalsContact C-N 3.32Å; Q345-V347 PolarHBondContact O-N 3.13Å; Q345-V348 PolarHBondContact O-N 2.81Å; Q345-E349 WeakPolarHBondContact O-CB 3.31Å; Q345-E349 WeakPolarHBondContact O-CG 3.29Å; Q345-E349 PolarHBondContact O-N 3.44Å
346S97.5Very high97.5Very high5 Ų528 Ų284%0.03514%0.135CC..Hα-helixtrans-58.6-42.7172.9-70.90000112.4L342 Y343 E349 A350 E364 V365L342-S346 PolarHBondContact O-N 3.11Å; L342-S346 PolarHBondContact O-OG 3.44Å; Y343-S346 WeakPolarHBondContact O-CB 3.43Å; Y343-S346 PolarHBondContact O-N 3.11Å; S346-E349 PolarHBondContact O-N 2.86Å; S346-A350 WeakPolarHBondContact O-CB 3.4Å; S346-A350 PolarHBondContact O-N 3.35Å; S346-E364 WeakPolarHBondContact CB-O 3.38Å; S346-E364 PolarHBondContact OG-O 3.07Å; S346-E364 VanDerWaalsContact OG-O 3.12Å; S346-V365 WeakPolarHBondContact OG-CA 3.29Å
347V98.3Very high97.5Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-65.9-43.6176178.50000110.9I183 A194 V197 M227 Y343 M344 Q345 E349 A350 I351 V363I183-V347 HydrophobicContact CD1-CB 4.06Å; I183-V347 HydrophobicContact CD1-CG1 3.59Å; I183-V347 HydrophobicContact CG1-CG1 3.93Å; I183-V347 HydrophobicContact CG2-CB 3.98Å; I183-V347 HydrophobicContact CG2-CG1 3.99Å; I183-V347 HydrophobicContact CG2-CG2 4Å; A194-V347 HydrophobicContact CB-CG2 4.26Å; V197-V347 HydrophobicContact CG1-CG1 4.18Å; M227-V347 HydrophobicContact SD-CG1 3.92Å; Y343-V347 HydrophobicContact CD2-CG2 4.18Å; Y343-V347 HydrophobicContact CE1-CG2 4.22Å; Y343-V347 HydrophobicContact CE2-CG2 3.67Å; Y343-V347 WeakPolarHBondContact O-CG2 3.33Å; Y343-V347 PolarHBondContact O-N 3.22Å; M344-V347 PolarHBondContact O-N 3Å; Q345-V347 VanDerWaalsContact C-N 3.32Å; Q345-V347 PolarHBondContact O-N 3.13Å; V347-E349 VanDerWaalsContact C-N 3.35Å; V347-E349 PolarHBondContact O-N 3.14Å; V347-A350 PolarHBondContact O-N 2.74Å; V347-I351 HydrophobicContact CG1-CD1 3.8Å; V347-I351 HydrophobicContact CG1-CG1 4.39Å; V347-I351 VanDerWaalsContact O-CG1 3.27Å; V347-I351 WeakPolarHBondContact O-CG1 3.45Å; V347-I351 PolarHBondContact O-N 3.22Å; V347-V363 HydrophobicContact CG2-CG1 3.66Å; V347-V363 HydrophobicContact CG2-CG2 4.28Å
348V97.6Very high97.5Very high1 Ų131 Ų311%0.00616%0.163CC..Hα-helixtrans-59.4-44.3176.4166.30000111.6L175 T180 I183 M344 Q345 I351 K352L175-V348 HydrophobicContact CD2-CG1 3.98Å; L175-V348 HydrophobicContact CG-CG1 4.18Å; L175-V348 HydrophobicContact CG-CG2 4.29Å; T180-V348 HydrophobicContact CG2-CG2 3.73Å; I183-V348 HydrophobicContact CD1-CG2 3.96Å; M344-V348 WeakPolarHBondContact O-CG2 3.06Å; M344-V348 PolarHBondContact O-N 3.17Å; Q345-V348 PolarHBondContact O-N 2.81Å; V348-I351 PolarHBondContact O-N 2.9Å; V348-K352 HydrophobicContact CG1-CD 4.19Å; V348-K352 WeakPolarHBondContact O-CG 3.35Å; V348-K352 PolarHBondContact O-N 3.04Å
349E96.8Very high97.5Very high61 Ų6136.7 Ų36.729%0.28519%0.19SC..Hα-helixtrans-65.2-41.3178.3-74.5177.2178.500112.1S100 Q345 S346 V347 K352 K353S100-E349 VanDerWaalsContact CB-CD 3.49Å; S100-E349 WeakPolarHBondContact CB-OE1 3.44Å; S100-E349 WeakPolarHBondContact CB-OE2 3.27Å; S100-E349 PolarHBondContact N-OE1 2.9Å; S100-E349 PolarHBondContact OG-OE1 3.42Å; S100-E349 PolarHBondContact OG-OE2 3.36Å; Q345-E349 WeakPolarHBondContact O-CB 3.31Å; Q345-E349 WeakPolarHBondContact O-CG 3.29Å; Q345-E349 PolarHBondContact O-N 3.44Å; S346-E349 PolarHBondContact O-N 2.86Å; V347-E349 VanDerWaalsContact C-N 3.35Å; V347-E349 PolarHBondContact O-N 3.14Å; E349-K352 PolarHBondContact O-N 3.46Å; E349-K353 WeakPolarHBondContact O-CB 3.43Å; E349-K353 PolarHBondContact O-N 2.65Å
350A98.1Very high97.5Very high9 Ų936.7 Ų36.77%0.07419%0.186CC..Hα-helixtrans-63.3-41.6174.500000112V197 S346 V347 K353 S354 E361 V363V197-A350 HydrophobicContact CG2-CB 3.54Å; S346-A350 WeakPolarHBondContact O-CB 3.4Å; S346-A350 PolarHBondContact O-N 3.35Å; V347-A350 PolarHBondContact O-N 2.74Å; A350-K353 PolarHBondContact O-N 3.02Å; A350-S354 WeakPolarHBondContact O-CB 3.41Å; A350-S354 PolarHBondContact O-N 3.33Å; A350-E361 HydrophobicContact CB-CB 4.34Å; A350-V363 HydrophobicContact CB-CG2 4.26Å
351I98.4Very high97.6Very high0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-63.8-44.1175.4-67.9164.2000110.7L175 I183 V197 L201 F225 V347 V348 K353 S354 S355L175-I351 HydrophobicContact CD1-CD1 3.92Å; L175-I351 HydrophobicContact CD1-CG2 4.1Å; L175-I351 HydrophobicContact CD2-CB 4.04Å; L175-I351 HydrophobicContact CD2-CG2 3.69Å; I183-I351 HydrophobicContact CD1-CD1 4.22Å; V197-I351 HydrophobicContact CB-CG1 3.9Å; V197-I351 HydrophobicContact CG1-CG1 4.22Å; V197-I351 HydrophobicContact CG2-CG1 3.84Å; L201-I351 HydrophobicContact CD1-CG2 3.68Å; F225-I351 HydrophobicContact CB-CD1 4.18Å; F225-I351 HydrophobicContact CB-CG1 4.27Å; F225-I351 HydrophobicContact CB-CG2 4.01Å; F225-I351 HydrophobicContact CD1-CD1 4.14Å; F225-I351 HydrophobicContact CD2-CD1 3.52Å; F225-I351 HydrophobicContact CD2-CG1 4.34Å; F225-I351 HydrophobicContact CE1-CD1 4.38Å; F225-I351 HydrophobicContact CE2-CD1 3.81Å; F225-I351 HydrophobicContact CG-CD1 3.69Å; F225-I351 HydrophobicContact CG-CG1 4.32Å; F225-I351 HydrophobicContact CG-CG2 4.41Å; F225-I351 HydrophobicContact CZ-CD1 4.22Å; V347-I351 HydrophobicContact CG1-CD1 3.8Å; V347-I351 HydrophobicContact CG1-CG1 4.39Å; V347-I351 VanDerWaalsContact O-CG1 3.27Å; V347-I351 WeakPolarHBondContact O-CG1 3.45Å; V347-I351 PolarHBondContact O-N 3.22Å; V348-I351 PolarHBondContact O-N 2.9Å; I351-K353 VanDerWaalsContact C-N 3.3Å; I351-K353 PolarHBondContact O-N 3.33Å; I351-S354 PolarHBondContact O-N 3.31Å; I351-S355 PolarHBondContact O-N 3Å
352K97.1Very high97.6Very high25 Ų2538.4 Ų38.411%0.10920%0.2CC..Hα-helixtrans-59.9-41.3175.2-75.9176.3170.9-162.80111.8E168 L175 L201 V348 E349 S355 R356E168-K352 VanDerWaalsContact CG-NZ 3.3Å; E168-K352 PolarHBondContact O-NZ 3.09Å; E168-K352 VanDerWaalsContact OE1-CD 3.27Å; E168-K352 WeakPolarHBondContact OE1-CD 3.48Å; E168-K352 VanDerWaalsContact OE1-CE 3.29Å; E168-K352 WeakPolarHBondContact OE1-CE 3.22Å; E168-K352 IonicContact OE1-NZ 2.7Å; E168-K352 PolarHBondContact OE1-NZ 2.89Å; L175-K352 HydrophobicContact CD2-CG 3.95Å; L201-K352 HydrophobicContact CD2-CG 4.1Å; V348-K352 HydrophobicContact CG1-CD 4.19Å; V348-K352 WeakPolarHBondContact O-CG 3.35Å; V348-K352 PolarHBondContact O-N 3.04Å; E349-K352 PolarHBondContact O-N 3.46Å; K352-S355 PolarHBondContact O-N 3.44Å; K352-R356 PolarHBondContact O-N 2.87Å; K352-R356 PolarHBondContact O-NH1 3.38Å
353K97.5Very high97.6Very high111 Ų11139.2 Ų39.248%0.48321%0.205SC..Hα-helixtrans-64.1-46.6175.8-171.2-176.1172.1-154.40110.8E349 A350 I351 S355 R356 S357 E361E349-K353 WeakPolarHBondContact O-CB 3.43Å; E349-K353 PolarHBondContact O-N 2.65Å; A350-K353 PolarHBondContact O-N 3.02Å; I351-K353 VanDerWaalsContact C-N 3.3Å; I351-K353 PolarHBondContact O-N 3.33Å; K353-S355 VanDerWaalsContact C-N 3.32Å; K353-S355 PolarHBondContact O-N 3.35Å; K353-R356 PolarHBondContact O-N 3.08Å; K353-S357 PolarHBondContact O-N 3.27Å; K353-S357 PolarHBondContact O-OG 3.4Å; K353-S357 VanDerWaalsContact O-OG 3.14Å; K353-E361 HydrophobicContact CB-CG 4.1Å; K353-E361 VanDerWaalsContact CD-CD 3.49Å; K353-E361 HydrophobicContact CD-CG 4.14Å; K353-E361 VanDerWaalsContact CD-OE2 3.26Å; K353-E361 WeakPolarHBondContact CD-OE2 3.48Å; K353-E361 WeakPolarHBondContact CE-OE1 2.81Å; K353-E361 WeakPolarHBondContact CE-OE2 3.47Å; K353-E361 HydrophobicContact CG-CG 4.06Å; K353-E361 IonicContact NZ-OE1 3.61Å; K353-E361 IonicContact NZ-OE2 3.17Å; K353-E361 PolarHBondContact NZ-OE2 2.69Å
354S98.4Very high97.4Very high0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-58.9-41.8177177.30000112.2H198 G199 A350 I351 R356 S357 G358 E359H198-S354 VanDerWaalsContact CA-OG 3.27Å; H198-S354 WeakPolarHBondContact CA-OG 3.32Å; G199-S354 PolarHBondContact N-OG 2.92Å; G199-S354 VanDerWaalsContact N-OG 3.1Å; A350-S354 WeakPolarHBondContact O-CB 3.41Å; A350-S354 PolarHBondContact O-N 3.33Å; I351-S354 PolarHBondContact O-N 3.31Å; S354-R356 PolarHBondContact O-N 3.25Å; S354-S357 PolarHBondContact O-N 3.16Å; S354-S357 PolarHBondContact O-OG 3.45Å; S354-G358 WeakPolarHBondContact O-CA 3.35Å; S354-G358 PolarHBondContact O-N 3.47Å; S354-E359 VanDerWaalsContact CB-O 3.31Å; S354-E359 WeakPolarHBondContact CB-O 3.36Å; S354-E359 PolarHBondContact OG-O 2.97Å
355S97.9Very high97.3Very high31 Ų3149.5 Ų49.522%0.21726%0.257CS..Hα-helixtrans-64.9-23.8177.1-177.80000113.8G199 L201 I351 K352 K353G199-S355 WeakPolarHBondContact O-CA 3.31Å; G199-S355 WeakPolarHBondContact O-CB 3.4Å; G199-S355 PolarHBondContact O-N 3.43Å; L201-S355 PolarHBondContact N-OG 3.15Å; I351-S355 PolarHBondContact O-N 3Å; K352-S355 PolarHBondContact O-N 3.44Å; K353-S355 VanDerWaalsContact C-N 3.32Å; K353-S355 PolarHBondContact O-N 3.35Å
356R96.9Very high96.9Very high149 Ų14951.4 Ų51.456%0.56227%0.267SS*.Hα-helixtrans-87.9-41.3175.7-70.5-174.3-67.8-91.8-1.5111.9K352 K353 S354K352-R356 PolarHBondContact O-N 2.87Å; K352-R356 PolarHBondContact O-NH1 3.38Å; K353-R356 PolarHBondContact O-N 3.08Å; S354-R356 PolarHBondContact O-N 3.25Å
357S97.1Very high96.5Very high56 Ų5656.8 Ų56.839%0.39230%0.299SS..Hα-helixtrans-79.4-28.5-178.1600000113.1K353 S354 E359 E361K353-S357 PolarHBondContact O-N 3.27Å; K353-S357 PolarHBondContact O-OG 3.4Å; K353-S357 VanDerWaalsContact O-OG 3.14Å; S354-S357 PolarHBondContact O-N 3.16Å; S354-S357 PolarHBondContact O-OG 3.45Å; S357-E359 PolarHBondContact OG-N 3.38Å; S357-E361 PolarHBondContact OG-OE1 3.22Å
358G96.2Very high95.8Very high46 Ų4664.2 Ų64.247%0.47433%0.334SS..SBendtrans79.2-0.6-169.700000113.8H198 S354H198-G358 PolarHBondContact NE2-O 3.28Å; S354-G358 WeakPolarHBondContact O-CA 3.35Å; S354-G358 PolarHBondContact O-N 3.47Å
359E97.6Very high94.8Very high125 Ų12568.5 Ų68.558%0.58435%0.354SS*.SBendtrans-107.3164.8-170.7-63.1-62.6167.200112.4S354 S357S354-E359 VanDerWaalsContact CB-O 3.31Å; S354-E359 WeakPolarHBondContact CB-O 3.36Å; S354-E359 PolarHBondContact OG-O 2.97Å; S357-E359 PolarHBondContact OG-N 3.38Å
360W98.3Very high93.6Very high101 Ų10167.1 Ų67.138%0.38335%0.35SS..  trans-69.9129.5169.2-7784.7000110.1K196 V197 H198 Q226 Q228K196-W360 HydrophobicContact CB-CE3 3.86Å; K196-W360 HydrophobicContact CB-CZ3 4.43Å; V197-W360 VanDerWaalsContact C-CE3 3.42Å; V197-W360 WeakPolarHBondContact O-CA 3.43Å; H198-W360 HydrophobicContact CB-CD2 3.65Å; H198-W360 HydrophobicContact CB-CE3 3.82Å; H198-W360 HydrophobicContact CB-CG 4.19Å; H198-W360 HydrophobicContact CB-CH2 3.99Å; H198-W360 HydrophobicContact CB-CZ2 3.82Å; H198-W360 HydrophobicContact CB-CZ3 3.99Å; Q226-W360 HydrophobicContact CB-CH2 3.93Å; Q228-W360 HydrophobicContact CB-CZ3 4.43Å; Q228-W360 HydrophobicContact CG-CH2 3.9Å; Q228-W360 HydrophobicContact CG-CZ3 3.75Å
361E98.4Very high92.1Very high24 Ų2471.8 Ų71.811%0.11237%0.374CS..EExtended strand (participates in β ladder)trans-111.2136.8179.1-64.8-67.2170.400110.4K196 V197 A350 K353 S357K196-E361 CarbonylContact C-O 3.48Å; K196-E361 VanDerWaalsContact CA-O 3.23Å; K196-E361 WeakPolarHBondContact CA-O 3.4Å; V197-E361 HydrophobicContact CG2-CB 4.28Å; V197-E361 PolarHBondContact N-O 3.14Å; V197-E361 PolarHBondContact O-N 2.7Å; A350-E361 HydrophobicContact CB-CB 4.34Å; K353-E361 HydrophobicContact CB-CG 4.1Å; K353-E361 VanDerWaalsContact CD-CD 3.49Å; K353-E361 HydrophobicContact CD-CG 4.14Å; K353-E361 VanDerWaalsContact CD-OE2 3.26Å; K353-E361 WeakPolarHBondContact CD-OE2 3.48Å; K353-E361 WeakPolarHBondContact CE-OE1 2.81Å; K353-E361 WeakPolarHBondContact CE-OE2 3.47Å; K353-E361 HydrophobicContact CG-CG 4.06Å; K353-E361 IonicContact NZ-OE1 3.61Å; K353-E361 IonicContact NZ-OE2 3.17Å; K353-E361 PolarHBondContact NZ-OE2 2.69Å; S357-E361 PolarHBondContact OG-OE1 3.22Å
362A97.9Very high90.2Very high52 Ų5275 Ų7543%0.4340%0.401SS..EExtended strand (participates in β ladder)trans-70.8146.6171.300000110.5E195E195-A362 WeakPolarHBondContact O-CA 3.27Å
363V97.5Very high88.1Confident22 Ų2279.5 Ų79.513%0.13343%0.426CS..  trans-92.2110.9173.7-1800000108.8A194 E195 V197 Y343 V347 A350A194-V363 HydrophobicContact CB-CG2 3.93Å; A194-V363 WeakPolarHBondContact O-CB 3.2Å; E195-V363 PolarHBondContact O-N 2.9Å; V197-V363 HydrophobicContact CG1-CG2 3.7Å; V197-V363 HydrophobicContact CG2-CG2 4.42Å; Y343-V363 HydrophobicContact CE2-CG1 4.4Å; V347-V363 HydrophobicContact CG2-CG1 3.66Å; V347-V363 HydrophobicContact CG2-CG2 4.28Å; A350-V363 HydrophobicContact CB-CG2 4.26Å
364E94.6Very high85.9Confident160 Ų16079.4 Ų79.475%0.74843%0.427SS*.  trans-111.3120.5177.5-66.6-179.8-176.800109.7S346S346-E364 WeakPolarHBondContact CB-O 3.38Å; S346-E364 PolarHBondContact OG-O 3.07Å; S346-E364 VanDerWaalsContact OG-O 3.12Å
365V93.6Very high83.6Confident60 Ų6082.2 Ų82.236%0.36444%0.442SS..  trans-90.4125.3176.1-174.90000108.7L342 Y343 S346 T367L342-V365 HydrophobicContact CD2-CG1 3.95Å; L342-V365 HydrophobicContact CG-CG1 3.92Å; Y343-V365 HydrophobicContact CD2-CG2 3.93Å; S346-V365 WeakPolarHBondContact OG-CA 3.29Å; V365-T367 PolarHBondContact O-N 3.47Å
366M89.9Confident81Confident42 Ų4286.1 Ų86.121%0.20746%0.46CS..  trans-57.8127-179.2-170.7178.4-64.400111.5S100 V101 F104 L342 E368 P370S100-M366 WeakPolarHBondContact OG-CE 3.16Å; V101-M366 HydrophobicContact CG2-CE 3.89Å; F104-M366 HydrophobicContact CB-CG 4.45Å; F104-M366 HydrophobicContact CB-SD 3.61Å; F104-M366 HydrophobicContact CD1-SD 4.38Å; F104-M366 HydrophobicContact CD2-CB 4.09Å; F104-M366 HydrophobicContact CD2-CG 3.78Å; F104-M366 HydrophobicContact CD2-SD 4.01Å; F104-M366 HydrophobicContact CE2-CG 4.3Å; F104-M366 HydrophobicContact CG-CG 4.15Å; F104-M366 HydrophobicContact CG-SD 3.73Å; L342-M366 HydrophobicContact CD1-CB 4.29Å; M366-E368 WeakPolarHBondContact CG-O 3.36Å; M366-P370 HydrophobicContact CE-CG 4.14Å; M366-P370 WeakPolarHBondContact SD-CD 3.48Å; M366-P370 HydrophobicContact SD-CG 4.25Å
367T88.1Confident78.3Confident117 Ų11782.7 Ų82.772%0.71846%0.458SS*.  trans-106-22.2176.953.80000113.1F104 V365F104-T367 VanDerWaalsContact CE2-C 3.48Å; F104-T367 WeakPolarHBondContact CE2-O 3.41Å; V365-T367 PolarHBondContact O-N 3.47Å
368E84.5Confident76.2Confident156 Ų15683.9 Ų83.973%0.72946%0.457SS*.SBendtrans-134.6150.2-179.1-64.1-177179.900109.9M366M366-E368 WeakPolarHBondContact CG-O 3.36Å
369E76.4Confident73.9Confident91 Ų9184.1 Ų84.143%0.42546%0.455SS..PPolyproline II helixtrans-70.8126.7178.3-165.9173.5171.400109.9F104 R105F104-E369 HydrophobicContact CD1-CB 4.07Å; F104-E369 HydrophobicContact CD1-CG 4.38Å; F104-E369 HydrophobicContact CE1-CB 3.75Å; R105-E369 IonicContact CZ-OE1 2.81Å; R105-E369 IonicContact NE-OE1 3.73Å; R105-E369 PolarHBondContact NE-OE1 3.44Å; R105-E369 IonicContact NH2-OE1 3.97Å; R105-E369 PolarHBondContact NH2-OE1 3.49Å
370P72.1Confident71.2Confident32 Ų3282.9 Ų82.921%0.20845%0.452CS..PPolyproline II helixtrans-64.4140.1179.320.5-28.3000110.8V101 M366 A372V101-P370 HydrophobicContact CG1-CG 4.47Å; V101-P370 HydrophobicContact CG2-CG 3.62Å; M366-P370 HydrophobicContact CE-CG 4.14Å; M366-P370 WeakPolarHBondContact SD-CD 3.48Å; M366-P370 HydrophobicContact SD-CG 4.25Å; P370-A372 PolarHBondContact O-N 3.31Å
371D66Low68.7Low107 Ų10784.6 Ų84.657%0.57246%0.464SS*.PPolyproline II helixtrans-57.7137.9-178.9-161.6-9.2000110.3N373 Q374D371-N373 PolarHBondContact O-N 3.31Å; D371-Q374 WeakPolarHBondContact O-CB 3.29Å; D371-Q374 PolarHBondContact O-N 3.18Å
372A57.6Low66.5Low69 Ų6989.7 Ų89.757%0.5748%0.482SS*.Hα-helixtrans-58.7-27-170.900000112.8P370P370-A372 PolarHBondContact O-N 3.31Å
373N52.7Low63.7Low119 Ų11993 Ų9364%0.63649%0.493SS*.Hα-helixtrans-73.3-28.7176.9-68.6-36.7000113.5D371 L376 C377D371-N373 PolarHBondContact O-N 3.31Å; N373-L376 PolarHBondContact O-N 3.35Å; N373-C377 PolarHBondContact O-N 3.08Å
374Q52.7Low60.7Low108 Ų10898.4 Ų98.451%0.50552%0.521SS..Hα-helixtrans-72.4-37-179.3-165.3169.3-5.200111.5D371 L376 C377 E378D371-Q374 WeakPolarHBondContact O-CB 3.29Å; D371-Q374 PolarHBondContact O-N 3.18Å; Q374-L376 VanDerWaalsContact C-N 3.29Å; Q374-L376 PolarHBondContact O-N 2.75Å; Q374-C377 PolarHBondContact O-N 3.18Å; Q374-E378 PolarHBondContact O-N 2.9Å; Q374-E378 VanDerWaalsContact O-N 3.09Å
375N49.5Very low57.8Low59 Ų59101.2 Ų101.232%0.31654%0.54SS..Hα-helixtrans-61.2-34.3175-70.9-45.8000113.1A379N375-A379 WeakPolarHBondContact O-CB 3.49Å; N375-A379 PolarHBondContact O-N 3.15Å
376L44.4Very low56Low113 Ų113103.3 Ų103.359%0.59255%0.549SS*.Hα-helixtrans-68.5-42.2176.3-117.9118.3000111.3N373 Q374 L380N373-L376 PolarHBondContact O-N 3.35Å; Q374-L376 VanDerWaalsContact C-N 3.29Å; Q374-L376 PolarHBondContact O-N 2.75Å; L376-L380 HydrophobicContact CD2-CD1 4.47Å; L376-L380 WeakPolarHBondContact O-CB 3.25Å; L376-L380 WeakPolarHBondContact O-CD1 3.43Å; L376-L380 WeakPolarHBondContact O-CG 3.37Å; L376-L380 PolarHBondContact O-N 2.83Å; L376-L380 VanDerWaalsContact O-N 3.09Å
377C40.3Very low54.3Low77 Ų77106.5 Ų106.552%0.5257%0.567SS.*Hα-helixtrans-66.7-41.9178.9-77.80000112.8N373 Q374 L380 Q381N373-C377 PolarHBondContact O-N 3.08Å; Q374-C377 PolarHBondContact O-N 3.18Å; C377-L380 PolarHBondContact O-N 3.16Å; C377-Q381 WeakPolarHBondContact O-CG 3.43Å; C377-Q381 PolarHBondContact O-N 3.45Å
378E51.8Low52.4Low81 Ų81105.9 Ų105.938%0.37956%0.559SS.*Hα-helixtrans-69.1-38.9178.4-71.4-171.1-17300112.8Q374 L380 Q381 R382Q374-E378 PolarHBondContact O-N 2.9Å; Q374-E378 VanDerWaalsContact O-N 3.09Å; E378-L380 VanDerWaalsContact C-N 3.3Å; E378-L380 PolarHBondContact O-N 2.9Å; E378-Q381 PolarHBondContact O-N 3.35Å; E378-R382 WeakPolarHBondContact O-CG 2.84Å; E378-R382 PolarHBondContact O-N 3.43Å; E378-R382 IonicContact OE2-NH2 3.32Å
379A47.5Very low50.5Low52 Ų52103 Ų10343%0.4355%0.548SS..Hα-helixtrans-63.4-36.7173.900000112N375 N383N375-A379 WeakPolarHBondContact O-CB 3.49Å; N375-A379 PolarHBondContact O-N 3.15Å; A379-N383 PolarHBondContact O-N 2.92Å; A379-N383 PolarHBondContact O-ND2 2.86Å
380L41.1Very low48.9Very low98 Ų98103.8 Ų103.851%0.51356%0.556SS.*Hα-helixtrans-70.8-33.6175.2-72.8167.5000112.8L376 C377 E378 N384L376-L380 HydrophobicContact CD2-CD1 4.47Å; L376-L380 WeakPolarHBondContact O-CB 3.25Å; L376-L380 WeakPolarHBondContact O-CD1 3.43Å; L376-L380 WeakPolarHBondContact O-CG 3.37Å; L376-L380 PolarHBondContact O-N 2.83Å; L376-L380 VanDerWaalsContact O-N 3.09Å; C377-L380 PolarHBondContact O-N 3.16Å; E378-L380 VanDerWaalsContact C-N 3.3Å; E378-L380 PolarHBondContact O-N 2.9Å; L380-N384 PolarHBondContact O-ND2 2.91Å; L380-N384 VanDerWaalsContact O-ND2 3.09Å
381Q45.4Very low47.3Very low137 Ų137108.5 Ų108.564%0.6458%0.579SS**Hα-helixtrans-71.8-35.4175.4-76179.4-9.500112.6C377 E378 N383 N384C377-Q381 WeakPolarHBondContact O-CG 3.43Å; C377-Q381 PolarHBondContact O-N 3.45Å; E378-Q381 PolarHBondContact O-N 3.35Å; Q381-N383 VanDerWaalsContact C-N 3.32Å; Q381-N383 PolarHBondContact O-N 3.42Å; Q381-N384 PolarHBondContact O-N 2.99Å
382R52.1Low46Very low132 Ų132108.6 Ų108.650%0.49858%0.58SS.*Hα-helixtrans-70.7-22.9177-70.9179.2-169.4-179.36.9114.1E378E378-R382 WeakPolarHBondContact O-CG 2.84Å; E378-R382 PolarHBondContact O-N 3.43Å; E378-R382 IonicContact OE2-NH2 3.32Å
383N39.4Very low45.1Very low121 Ų121111.7 Ų111.765%0.64758%0.581SS**THydrogen-bonded Turntrans-88.3-6.2177.5-77.4-31.4000114A379 Q381A379-N383 PolarHBondContact O-N 2.92Å; A379-N383 PolarHBondContact O-ND2 2.86Å; Q381-N383 VanDerWaalsContact C-N 3.32Å; Q381-N383 PolarHBondContact O-N 3.42Å
384N35.2Very low44.5Very low135 Ų135111.1 Ų111.172%0.72258%0.576SS**  trans-107.915.8-176.1-78.6-33.1000113.6L380 Q381L380-N384 PolarHBondContact O-ND2 2.91Å; L380-N384 VanDerWaalsContact O-ND2 3.09Å; Q381-N384 PolarHBondContact O-N 2.99Å
385L34.3Very low43.7Very low220 Ų220111.4 Ų111.4100%1.15258%0.583SS**  trans-129.60171.8-71.7168.5000108.8

Retrieved 385 of 385 residues in 670.3 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).