A0A5K4FCT3_SCHMA Loading...

Detected protein of confused Function

AlphaFold DB , UniProt , Accession A0A5K4FCT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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
1M47.1Very low72.6Confident205 Ų20598.4 Ų98.4100%1.0149%0.488SS*.  0-310-87.2176.2168.700113.9S3 H4M1-S3 PolarHBondContact O-N 3.35Å; M1-H4 PolarHBondContact O-N 3.33Å
2E54.3Low74.2Confident108 Ų10894.8 Ų94.851%0.50548%0.476SS..Hα-helixtrans-68.4-32.4-176.7-109.9-161.7132.100115.8K6 K203E2-K6 WeakPolarHBondContact O-CG 3.43Å; E2-K203 WeakPolarHBondContact OE1-CD 3.48Å; E2-K203 WeakPolarHBondContact OE1-CE 3.48Å; E2-K203 IonicContact OE1-NZ 2.8Å; E2-K203 PolarHBondContact OE1-NZ 2.94Å
3S60.2Low75.6Confident76 Ų7687.8 Ų87.853%0.53144%0.442SS..Hα-helixtrans-69.9-32178.761.50000112.8M1 H5 K6M1-S3 PolarHBondContact O-N 3.35Å; S3-H5 VanDerWaalsContact C-N 3.29Å; S3-H5 PolarHBondContact O-N 3.41Å; S3-K6 PolarHBondContact O-N 3.11Å
4H62.4Low76.8Confident148 Ų14884.7 Ų84.769%0.68542%0.424SS*.Hα-helixtrans-63.1-31.1-175.2-84.2-86.7000113.6M1 P8M1-H4 PolarHBondContact O-N 3.33Å; H4-P8 WeakPolarHBondContact O-CD 3.47Å; H4-P8 WeakPolarHBondContact O-CG 3.42Å
5H70.3Confident78.1Confident147 Ų14784.2 Ų84.268%0.68143%0.427SS*.Hα-helixtrans-86.4-23178.9-6787.3000113S3 P8 L9S3-H5 VanDerWaalsContact C-N 3.29Å; S3-H5 PolarHBondContact O-N 3.41Å; H5-P8 WeakPolarHBondContact O-CD 3.37Å; H5-P8 WeakPolarHBondContact O-CG 3.28Å; H5-L9 WeakPolarHBondContact O-CB 3.34Å; H5-L9 PolarHBondContact O-N 2.91Å
6K74.2Confident79.2Confident71 Ų7183.6 Ų83.631%0.30942%0.421SS..Hα-helixtrans-76.3-35.8-174.1-70.5-178.5-175.9-179.80112.9E2 S3 F10 F122E2-K6 WeakPolarHBondContact O-CG 3.43Å; S3-K6 PolarHBondContact O-N 3.11Å; K6-F10 PolarHBondContact O-N 2.96Å; K6-F122 HydrophobicContact CB-CE1 3.5Å; K6-F122 VanDerWaalsContact CB-CE1 3.5Å; K6-F122 HydrophobicContact CB-CZ 3.61Å; K6-F122 HydrophobicContact CD-CD1 4.22Å; K6-F122 HydrophobicContact CD-CE1 3.88Å; K6-F122 HydrophobicContact CD-CZ 4.19Å; K6-F122 HydrophobicContact CG-CE1 4.18Å
7V79Confident80.2Confident71 Ų7178.7 Ų78.743%0.4340%0.396SS..Hα-helixtrans-64.4-52.5177.9-179.90000112.7L9 F10 W11V7-L9 PolarHBondContact O-N 3.36Å; V7-F10 PolarHBondContact O-N 3.3Å; V7-W11 PolarHBondContact O-N 3.15Å; V7-W11 VanDerWaalsContact O-N 3.16Å
8P85.3Confident81.1Confident69 Ų6976.7 Ų76.745%0.44839%0.389SS..Hα-helixtrans-63.5-31.8178.624.7-34.2000112.4H4 H5 W11 T12H4-P8 WeakPolarHBondContact O-CD 3.47Å; H4-P8 WeakPolarHBondContact O-CG 3.42Å; H5-P8 WeakPolarHBondContact O-CD 3.37Å; H5-P8 WeakPolarHBondContact O-CG 3.28Å; P8-W11 PolarHBondContact O-N 2.65Å; P8-T12 WeakPolarHBondContact O-CB 3.49Å; P8-T12 PolarHBondContact O-N 3.21Å; P8-T12 PolarHBondContact O-OG1 3.49Å
9L86.5Confident82Confident34 Ų3478.4 Ų78.418%0.17839%0.393CS..Hα-helixtrans-63.7-44.3174.8-171.978.6000112.1H5 V7 T12 C13 I195 F199 V200H5-L9 WeakPolarHBondContact O-CB 3.34Å; H5-L9 PolarHBondContact O-N 2.91Å; V7-L9 PolarHBondContact O-N 3.36Å; L9-T12 WeakPolarHBondContact O-CB 3.34Å; L9-T12 PolarHBondContact O-N 3.16Å; L9-C13 PolarHBondContact O-N 3.09Å; L9-C13 PolarHBondContact O-SG 3.02Å; L9-I195 HydrophobicContact CD1-CG2 3.36Å; L9-I195 HydrophobicContact CG-CG2 3.94Å; L9-F199 HydrophobicContact CD1-CB 4.22Å; L9-F199 HydrophobicContact CD1-CD2 3.86Å; L9-F199 HydrophobicContact CD1-CE2 4.35Å; L9-F199 HydrophobicContact CD1-CG 3.95Å; L9-F199 HydrophobicContact CD2-CB 3.35Å; L9-F199 HydrophobicContact CD2-CG 3.98Å; L9-F199 HydrophobicContact CG-CB 4.41Å; L9-V200 HydrophobicContact CD2-CG2 4.41Å
10F88.3Confident82.8Confident23 Ų2374.5 Ų74.510%0.10137%0.374CS..Hα-helixtrans-60.2-47.2176.2171.6-102000111.5K6 V7 T12 C13 F14 I111 Q114 V115 I121K6-F10 PolarHBondContact O-N 2.96Å; V7-F10 PolarHBondContact O-N 3.3Å; F10-T12 VanDerWaalsContact C-N 3.28Å; F10-T12 PolarHBondContact O-N 3Å; F10-C13 WeakPolarHBondContact O-CB 3.43Å; F10-C13 PolarHBondContact O-N 2.75Å; F10-C13 VanDerWaalsContact O-N 3.09Å; F10-F14 PolarHBondContact O-N 3.22Å; F10-I111 HydrophobicContact CE2-CG2 4.28Å; F10-I111 HydrophobicContact CZ-CG2 4.24Å; F10-Q114 HydrophobicContact CE2-CB 4.07Å; F10-Q114 HydrophobicContact CZ-CB 3.96Å; F10-V115 HydrophobicContact CE1-CG2 3.94Å; F10-V115 HydrophobicContact CZ-CG2 3.76Å; F10-I121 HydrophobicContact CB-CG2 3.96Å; F10-I121 HydrophobicContact CD1-CD1 4.44Å; F10-I121 HydrophobicContact CD1-CG2 4.12Å; F10-I121 HydrophobicContact CD2-CG2 3.5Å; F10-I121 VanDerWaalsContact CD2-CG2 3.5Å; F10-I121 HydrophobicContact CE1-CD1 4.37Å; F10-I121 HydrophobicContact CE1-CG1 4.43Å; F10-I121 HydrophobicContact CE2-CG2 3.95Å; F10-I121 HydrophobicContact CG-CG2 3.57Å; F10-I121 HydrophobicContact CZ-CG1 4.36Å; F10-I121 HydrophobicContact CZ-CG2 4.44Å
11W90.8Very high83.5Confident130 Ų13073.4 Ų73.449%0.49237%0.367SS..Hα-helixtrans-61.3-38176.6-72.5111.9000112.4V7 P8 F14 T15V7-W11 PolarHBondContact O-N 3.15Å; V7-W11 VanDerWaalsContact O-N 3.16Å; P8-W11 PolarHBondContact O-N 2.65Å; W11-F14 AromaticContact CE3-CD1 3.94Å; W11-F14 HydrophobicContact CE3-CD1 3.94Å; W11-F14 HydrophobicContact CZ3-CD1 4.03Å; W11-F14 HydrophobicContact CZ3-CE1 4.31Å; W11-F14 PolarHBondContact O-N 2.98Å; W11-T15 WeakPolarHBondContact O-CG2 3.45Å; W11-T15 PolarHBondContact O-N 3.19Å; W11-T15 PolarHBondContact O-OG1 3.41Å
12T92Very high85.9Confident55 Ų5566.7 Ų66.734%0.33734%0.337SS..Hα-helixtrans-61.7-44.9172.6-53.60000111.1P8 L9 F10 F14 T15 F16 I195P8-T12 WeakPolarHBondContact O-CB 3.49Å; P8-T12 PolarHBondContact O-N 3.21Å; P8-T12 PolarHBondContact O-OG1 3.49Å; L9-T12 WeakPolarHBondContact O-CB 3.34Å; L9-T12 PolarHBondContact O-N 3.16Å; F10-T12 VanDerWaalsContact C-N 3.28Å; F10-T12 PolarHBondContact O-N 3Å; T12-F14 PolarHBondContact O-N 3.3Å; T12-T15 PolarHBondContact O-N 3.5Å; T12-T15 PolarHBondContact O-OG1 3.48Å; T12-F16 HydrophobicContact CG2-CD2 3.79Å; T12-F16 HydrophobicContact CG2-CE2 3.84Å; T12-F16 VanDerWaalsContact O-CD2 3.31Å; T12-F16 WeakPolarHBondContact O-CD2 3.43Å; T12-F16 PolarHBondContact O-N 3.38Å; T12-F16 VanDerWaalsContact O-N 3.11Å; T12-I195 HydrophobicContact CG2-CD1 4.27Å
13C92.1Very high88Confident5 Ų562.3 Ų62.33%0.03432%0.318CS..Hα-helixtrans-62.4-44.2176.4-63.30000111.4L9 F10 T15 F16 T17 T192 I195 L196L9-C13 PolarHBondContact O-N 3.09Å; L9-C13 PolarHBondContact O-SG 3.02Å; F10-C13 WeakPolarHBondContact O-CB 3.43Å; F10-C13 PolarHBondContact O-N 2.75Å; F10-C13 VanDerWaalsContact O-N 3.09Å; C13-T15 PolarHBondContact O-N 3.08Å; C13-F16 PolarHBondContact O-N 3.11Å; C13-T17 WeakPolarHBondContact O-CB 3.44Å; C13-T17 PolarHBondContact O-N 3.16Å; C13-T17 PolarHBondContact O-OG1 3.3Å; C13-T192 HydrophobicContact CB-CG2 4.2Å; C13-I195 VanDerWaalsContact SG-CG2 3.53Å; C13-L196 HydrophobicContact CB-CD2 4.38Å
14F93.1Very high89.7Confident44 Ų4458.9 Ų58.919%0.19330%0.295CS..Hα-helixtrans-58.5-47.3177.9171.9-113.1000111.9F10 W11 T12 T17 T18 I111 L112 V115F10-F14 PolarHBondContact O-N 3.22Å; W11-F14 AromaticContact CE3-CD1 3.94Å; W11-F14 HydrophobicContact CE3-CD1 3.94Å; W11-F14 HydrophobicContact CZ3-CD1 4.03Å; W11-F14 HydrophobicContact CZ3-CE1 4.31Å; W11-F14 PolarHBondContact O-N 2.98Å; T12-F14 PolarHBondContact O-N 3.3Å; F14-T17 PolarHBondContact O-N 3.23Å; F14-T18 WeakPolarHBondContact CE2-OG1 3.23Å; F14-T18 VanDerWaalsContact O-CB 3.32Å; F14-T18 WeakPolarHBondContact O-CB 3.05Å; F14-T18 PolarHBondContact O-N 3.16Å; F14-T18 PolarHBondContact O-OG1 3.49Å; F14-I111 HydrophobicContact CB-CG2 4.23Å; F14-I111 HydrophobicContact CD2-CG2 3.58Å; F14-I111 HydrophobicContact CE2-CG2 4.45Å; F14-I111 HydrophobicContact CG-CG2 4.35Å; F14-L112 HydrophobicContact CE2-CD2 4.26Å; F14-V115 HydrophobicContact CD2-CG2 4.02Å; F14-V115 HydrophobicContact CE2-CG2 4.13Å; F14-V115 HydrophobicContact CG-CG2 4.36Å
15T95.4Very high91.4Very high77 Ų7756.6 Ų56.647%0.47228%0.283SS..Hα-helixtrans-64.4-45.4-179.554.90000112.2W11 T12 C13 F19W11-T15 WeakPolarHBondContact O-CG2 3.45Å; W11-T15 PolarHBondContact O-N 3.19Å; W11-T15 PolarHBondContact O-OG1 3.41Å; T12-T15 PolarHBondContact O-N 3.5Å; T12-T15 PolarHBondContact O-OG1 3.48Å; C13-T15 PolarHBondContact O-N 3.08Å; T15-F19 WeakPolarHBondContact O-CB 3.32Å; T15-F19 PolarHBondContact O-N 3.23Å
16F96.2Very high92.7Very high75 Ų7552 Ų5233%0.32927%0.266SS..Hα-helixtrans-67.1-38.4177.4-84.5-80.9000112.5T12 C13 G20 S188 I191 T192T12-F16 HydrophobicContact CG2-CD2 3.79Å; T12-F16 HydrophobicContact CG2-CE2 3.84Å; T12-F16 VanDerWaalsContact O-CD2 3.31Å; T12-F16 WeakPolarHBondContact O-CD2 3.43Å; T12-F16 PolarHBondContact O-N 3.38Å; T12-F16 VanDerWaalsContact O-N 3.11Å; C13-F16 PolarHBondContact O-N 3.11Å; F16-G20 PolarHBondContact O-N 2.92Å; F16-S188 PolarHBondContact O-OG 3.28Å; F16-I191 HydrophobicContact CD1-CG2 4.21Å; F16-I191 HydrophobicContact CE1-CD1 4.26Å; F16-I191 HydrophobicContact CE1-CG2 4.25Å; F16-I191 HydrophobicContact CG-CG2 4.41Å; F16-I191 HydrophobicContact CZ-CG2 4.47Å; F16-T192 WeakPolarHBondContact CB-OG1 3.19Å
17T95.7Very high93.8Very high0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-65.9-46.7177.7-42.10000110.3C13 F14 F19 G20 F21 H104 E108 I111 L134 T192C13-T17 WeakPolarHBondContact O-CB 3.44Å; C13-T17 PolarHBondContact O-N 3.16Å; C13-T17 PolarHBondContact O-OG1 3.3Å; F14-T17 PolarHBondContact O-N 3.23Å; T17-F19 PolarHBondContact O-N 2.83Å; T17-G20 CarbonylContact O-C 3.59Å; T17-G20 PolarHBondContact O-N 2.9Å; T17-F21 WeakPolarHBondContact O-CB 3.32Å; T17-F21 PolarHBondContact O-N 3.19Å; T17-H104 PolarHBondContact O-NE2 3.37Å; T17-H104 VanDerWaalsContact O-NE2 3.11Å; T17-E108 VanDerWaalsContact CB-OE1 3.27Å; T17-E108 WeakPolarHBondContact CB-OE1 3.4Å; T17-E108 WeakPolarHBondContact CG2-OE1 3.25Å; T17-E108 VanDerWaalsContact O-OE1 3.1Å; T17-I111 HydrophobicContact CG2-CD1 3.73Å; T17-I111 WeakPolarHBondContact OG1-CD1 3.2Å; T17-L134 HydrophobicContact CG2-CD1 4.09Å; T17-L134 HydrophobicContact CG2-CD2 3.84Å; T17-T192 VanDerWaalsContact OG1-CG2 3.26Å; T17-T192 WeakPolarHBondContact OG1-CG2 3.29Å
18T96.8Very high94.6Very high42 Ų4246.3 Ų46.326%0.25824%0.236SC..Hα-helixtrans-65.5-41.2-179-55.20000111F14 F21 T22 E108F14-T18 WeakPolarHBondContact CE2-OG1 3.23Å; F14-T18 VanDerWaalsContact O-CB 3.32Å; F14-T18 WeakPolarHBondContact O-CB 3.05Å; F14-T18 PolarHBondContact O-N 3.16Å; F14-T18 PolarHBondContact O-OG1 3.49Å; T18-F21 PolarHBondContact O-N 3.18Å; T18-T22 WeakPolarHBondContact O-CG2 3.41Å; T18-T22 PolarHBondContact O-N 3.27Å; T18-T22 PolarHBondContact O-OG1 2.93Å; T18-E108 VanDerWaalsContact CA-OE1 3.25Å; T18-E108 WeakPolarHBondContact CA-OE1 3.07Å; T18-E108 PolarHBondContact N-OE1 2.72Å
19F98Very high95.1Very high109 Ų10947 Ų4748%0.47824%0.238SC..Hα-helixtrans-61.9-46.5173.8179.6-105.6000111.2T15 T17 F21 T22 C23 I184T15-F19 WeakPolarHBondContact O-CB 3.32Å; T15-F19 PolarHBondContact O-N 3.23Å; T17-F19 PolarHBondContact O-N 2.83Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.47Å; F19-T22 PolarHBondContact O-N 2.7Å; F19-T22 PolarHBondContact O-OG1 3.04Å; F19-C23 PolarHBondContact O-N 3Å; F19-C23 PolarHBondContact O-SG 3.22Å; F19-I184 HydrophobicContact CE1-CG2 3.79Å; F19-I184 HydrophobicContact CZ-CG2 4.2Å
20G97.5Very high95.6Very high0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-57.6-42.3174.400000112.4F16 T17 C23 G24 S185F16-G20 PolarHBondContact O-N 2.92Å; T17-G20 CarbonylContact O-C 3.59Å; T17-G20 PolarHBondContact O-N 2.9Å; G20-C23 PolarHBondContact O-N 3.27Å; G20-G24 PolarHBondContact O-N 3.11Å; G20-S185 WeakPolarHBondContact O-CB 3.39Å; G20-S185 PolarHBondContact O-OG 3.44Å
21F97.8Very high95.8Very high53 Ų5348.3 Ų48.323%0.23225%0.246CC..Hα-helixtrans-63.9-48.5178.7173.6-104.6000111.7T17 T18 F19 C23 G24 F25 F101 H104 V105 E108T17-F21 WeakPolarHBondContact O-CB 3.32Å; T17-F21 PolarHBondContact O-N 3.19Å; T18-F21 PolarHBondContact O-N 3.18Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.47Å; F21-C23 PolarHBondContact O-N 2.97Å; F21-G24 PolarHBondContact O-N 3.33Å; F21-F25 WeakPolarHBondContact O-CB 3.33Å; F21-F25 PolarHBondContact O-N 3.48Å; F21-F101 HydrophobicContact CD2-CE2 4.26Å; F21-F101 HydrophobicContact CE2-CD2 4.47Å; F21-F101 AromaticContact CE2-CE2 3.6Å; F21-F101 HydrophobicContact CE2-CE2 3.6Å; F21-F101 AromaticContact CE2-CZ 3.83Å; F21-F101 HydrophobicContact CE2-CZ 3.83Å; F21-F101 HydrophobicContact CZ-CE2 4.16Å; F21-F101 HydrophobicContact CZ-CZ 4.11Å; F21-H104 HydrophobicContact CD2-CB 4.27Å; F21-H104 PolarHBondContact N-CE1 2.94Å; F21-H104 VanDerWaalsContact N-CE1 3.25Å; F21-H104 PolarHBondContact N-NE2 3.31Å; F21-V105 HydrophobicContact CE2-CG2 3.67Å; F21-V105 HydrophobicContact CZ-CG2 4.34Å; F21-E108 HydrophobicContact CB-CG 3.77Å; F21-E108 HydrophobicContact CD1-CG 4.31Å; F21-E108 HydrophobicContact CD2-CG 3.94Å; F21-E108 HydrophobicContact CG-CG 3.73Å
22T97.9Very high96Very high64 Ų6445.2 Ų45.239%0.39324%0.235SC..Hα-helixtrans-62.7-42.1178.652.90000111.8T18 F19 F25 V26T18-T22 WeakPolarHBondContact O-CG2 3.41Å; T18-T22 PolarHBondContact O-N 3.27Å; T18-T22 PolarHBondContact O-OG1 2.93Å; F19-T22 PolarHBondContact O-N 2.7Å; F19-T22 PolarHBondContact O-OG1 3.04Å; T22-F25 PolarHBondContact O-N 3.28Å; T22-V26 VanDerWaalsContact O-CG2 3.29Å; T22-V26 WeakPolarHBondContact O-CG2 3.4Å; T22-V26 PolarHBondContact O-N 3.36Å
23C97.9Very high96.2Very high15 Ų1542.6 Ų42.610%0.10122%0.218CC..Hα-helixtrans-59.6-47.5171.1-71.70000111.7F19 G20 F21 F25 V26 S27 I181F19-C23 PolarHBondContact O-N 3Å; F19-C23 PolarHBondContact O-SG 3.22Å; G20-C23 PolarHBondContact O-N 3.27Å; F21-C23 PolarHBondContact O-N 2.97Å; C23-F25 VanDerWaalsContact C-N 3.33Å; C23-F25 PolarHBondContact O-N 2.89Å; C23-V26 PolarHBondContact O-N 3.24Å; C23-S27 WeakPolarHBondContact O-CB 3.43Å; C23-S27 PolarHBondContact O-N 3.45Å; C23-I181 HydrophobicContact CB-CG2 3.66Å; C23-I181 WeakPolarHBondContact O-CG2 3.49Å
24G97.4Very high96.3Very high4 Ų442.4 Ų42.44%0.04122%0.217CC..Hα-helixtrans-60-42.3178.600000112.5G20 F21 S27 M28 S185G20-G24 PolarHBondContact O-N 3.11Å; F21-G24 PolarHBondContact O-N 3.33Å; G24-S27 PolarHBondContact O-N 3.09Å; G24-M28 WeakPolarHBondContact O-CB 3.43Å; G24-M28 PolarHBondContact O-N 3.47Å; G24-S185 PolarHBondContact N-OG 3.46Å
25F97.9Very high96.4Very high100 Ų10040.7 Ų40.744%0.43921%0.211SC..Hα-helixtrans-63.5-49.2175.7179-107.9000112.4F21 T22 C23 S27 M28 V29 F101F21-F25 WeakPolarHBondContact O-CB 3.33Å; F21-F25 PolarHBondContact O-N 3.48Å; T22-F25 PolarHBondContact O-N 3.28Å; C23-F25 VanDerWaalsContact C-N 3.33Å; C23-F25 PolarHBondContact O-N 2.89Å; F25-S27 PolarHBondContact O-N 3.47Å; F25-M28 WeakPolarHBondContact O-CB 3.28Å; F25-M28 PolarHBondContact O-N 2.86Å; F25-V29 HydrophobicContact CD2-CG2 4.16Å; F25-V29 HydrophobicContact CE1-CG2 4.41Å; F25-V29 HydrophobicContact CE2-CG2 3.72Å; F25-V29 HydrophobicContact CZ-CG2 3.87Å; F25-V29 PolarHBondContact O-N 3.47Å; F25-V29 VanDerWaalsContact O-N 3.07Å; F25-F101 HydrophobicContact CB-CE2 3.84Å; F25-F101 HydrophobicContact CB-CZ 4.43Å; F25-F101 AromaticContact CD2-CE2 3.9Å; F25-F101 HydrophobicContact CD2-CE2 3.9Å; F25-F101 AromaticContact CD2-CZ 3.66Å; F25-F101 HydrophobicContact CD2-CZ 3.66Å; F25-F101 HydrophobicContact CE2-CZ 4.49Å; F25-F101 HydrophobicContact CG-CE2 4.38Å
26V97.7Very high96.2Very high52 Ų5239.9 Ų39.932%0.31520%0.199SC..Hα-helixtrans-58.1-43.1176.2170.10000109.7T22 C23 M28 V29 M30 W177 I181T22-V26 VanDerWaalsContact O-CG2 3.29Å; T22-V26 WeakPolarHBondContact O-CG2 3.4Å; T22-V26 PolarHBondContact O-N 3.36Å; C23-V26 PolarHBondContact O-N 3.24Å; V26-M28 PolarHBondContact O-N 2.8Å; V26-V29 PolarHBondContact O-N 2.95Å; V26-M30 HydrophobicContact CG1-CG 3.91Å; V26-M30 WeakPolarHBondContact O-CB 3.43Å; V26-M30 WeakPolarHBondContact O-CG 3.39Å; V26-M30 PolarHBondContact O-N 2.97Å; V26-W177 HydrophobicContact CG1-CZ3 4.16Å; V26-I181 HydrophobicContact CG1-CD1 3.98Å
27S97Very high95.9Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-63.7-41.9178.4-176.30000112.6C23 G24 F25 V29 W33 S178 A182C23-S27 WeakPolarHBondContact O-CB 3.43Å; C23-S27 PolarHBondContact O-N 3.45Å; G24-S27 PolarHBondContact O-N 3.09Å; F25-S27 PolarHBondContact O-N 3.47Å; S27-V29 PolarHBondContact O-N 3.25Å; S27-W33 PolarHBondContact O-NE1 3.37Å; S27-W33 VanDerWaalsContact OG-CZ2 3.22Å; S27-W33 WeakPolarHBondContact OG-CZ2 3.45Å; S27-W33 PolarHBondContact OG-NE1 2.92Å; S27-S178 WeakPolarHBondContact CA-OG 3.41Å; S27-S178 WeakPolarHBondContact CB-O 3.22Å; S27-S178 PolarHBondContact O-OG 3.21Å; S27-S178 PolarHBondContact OG-O 3.27Å; S27-S178 PolarHBondContact OG-OG 3.07Å; S27-A182 VanDerWaalsContact OG-CB 3.32Å; S27-A182 WeakPolarHBondContact OG-CB 3.45Å
28M95.4Very high95.4Very high21 Ų2148.2 Ų48.210%0.10325%0.246CC..Hα-helixtrans-59.3-47.8178.7-175.163.2156.100112.2G24 F25 V26 L49 W50 F97 T98G24-M28 WeakPolarHBondContact O-CB 3.43Å; G24-M28 PolarHBondContact O-N 3.47Å; F25-M28 WeakPolarHBondContact O-CB 3.28Å; F25-M28 PolarHBondContact O-N 2.86Å; V26-M28 PolarHBondContact O-N 2.8Å; M28-L49 HydrophobicContact SD-CD1 3.83Å; M28-W50 HydrophobicContact CE-CZ2 3.5Å; M28-W50 HydrophobicContact SD-CZ2 4.45Å; M28-W50 PolarHBondContact SD-NE1 3.16Å; M28-F97 HydrophobicContact CB-CD1 4.42Å; M28-F97 HydrophobicContact CB-CE1 3.87Å; M28-F97 HydrophobicContact SD-CD1 3.59Å; M28-F97 VanDerWaalsContact SD-CD1 3.59Å; M28-F97 HydrophobicContact SD-CE1 4.02Å; M28-T98 HydrophobicContact CE-CG2 4.33Å
29V96.2Very high94.8Very high83 Ų8354.9 Ų54.950%0.50327%0.274SS..Hα-helixtrans-84.7-29.6-171.2179.50000111.8F25 V26 S27F25-V29 HydrophobicContact CD2-CG2 4.16Å; F25-V29 HydrophobicContact CE1-CG2 4.41Å; F25-V29 HydrophobicContact CE2-CG2 3.72Å; F25-V29 HydrophobicContact CZ-CG2 3.87Å; F25-V29 PolarHBondContact O-N 3.47Å; F25-V29 VanDerWaalsContact O-N 3.07Å; V26-V29 PolarHBondContact O-N 2.95Å; S27-V29 PolarHBondContact O-N 3.25Å
30M95.6Very high94Very high75 Ų7550.1 Ų50.137%0.36925%0.254SS..  trans-79.3133.3-171.8-71.3-70.9-179.800113.1V26 Y32 W177 S178V26-M30 HydrophobicContact CG1-CG 3.91Å; V26-M30 WeakPolarHBondContact O-CB 3.43Å; V26-M30 WeakPolarHBondContact O-CG 3.39Å; V26-M30 PolarHBondContact O-N 2.97Å; M30-Y32 HydrophobicContact CB-CD2 4.42Å; M30-Y32 PolarHBondContact O-N 2.9Å; M30-W177 HydrophobicContact CB-CH2 3.62Å; M30-W177 HydrophobicContact CB-CZ2 4.41Å; M30-W177 HydrophobicContact CB-CZ3 3.99Å; M30-W177 HydrophobicContact CG-CH2 3.53Å; M30-W177 HydrophobicContact CG-CZ3 3.99Å; M30-W177 HydrophobicContact SD-CH2 3.85Å; M30-S178 PolarHBondContact O-OG 3.14Å
31P93.9Very high93.3Very high11 Ų1158.2 Ų58.27%0.07129%0.292CS..SBendtrans-78.233.5-175.233.7-38.3000114.2R46 L47 E51P31-R46 HydrophobicContact CB-CG 4.35Å; P31-R46 WeakPolarHBondContact O-CB 3.32Å; P31-R46 WeakPolarHBondContact O-CD 3.49Å; P31-R46 VanDerWaalsContact O-CG 3.27Å; P31-R46 WeakPolarHBondContact O-CG 3.37Å; P31-L47 CarbonylContact O-C 3.47Å; P31-L47 VanDerWaalsContact O-C 3.32Å; P31-L47 PolarHBondContact O-N 2.77Å; P31-E51 HydrophobicContact CB-CB 4.22Å; P31-E51 HydrophobicContact CB-CG 4.38Å
32Y95.5Very high92.6Very high65 Ų6555.9 Ų55.926%0.25528%0.282SS..  trans-126.840.4-170-65.5-93.5000112.8M30 A35 R46 S176 W177 S178M30-Y32 HydrophobicContact CB-CD2 4.42Å; M30-Y32 PolarHBondContact O-N 2.9Å; Y32-A35 HydrophobicContact CD1-CB 4.36Å; Y32-R46 HydrophobicContact CD1-CB 4.44Å; Y32-R46 VanDerWaalsContact CE1-CD 3.49Å; Y32-R46 PolarHBondContact OH-NH1 3.38Å; Y32-S176 CarbonylContact O-C 3.56Å; Y32-S176 WeakPolarHBondContact O-CB 3.3Å; Y32-W177 VanDerWaalsContact CB-CE2 3.48Å; Y32-W177 AromaticContact CD1-CE2 3.95Å; Y32-W177 HydrophobicContact CD1-CZ2 4.27Å; Y32-W177 AromaticContact CD1-NE1 3.27Å; Y32-W177 VanDerWaalsContact CD1-NE1 3.27Å; Y32-W177 AromaticContact CD2-CE2 3.61Å; Y32-W177 AromaticContact CD2-CH2 3.96Å; Y32-W177 HydrophobicContact CD2-CH2 3.96Å; Y32-W177 AromaticContact CD2-CZ2 3.13Å; Y32-W177 HydrophobicContact CD2-CZ2 3.13Å; Y32-W177 AromaticContact CD2-NE1 3.81Å; Y32-W177 AromaticContact CE1-NE1 3.76Å; Y32-W177 HydrophobicContact CE2-CH2 4.46Å; Y32-W177 AromaticContact CE2-CZ2 3.51Å; Y32-W177 HydrophobicContact CE2-CZ2 3.51Å; Y32-W177 HydrophobicContact CG-CD2 4.43Å; Y32-W177 AromaticContact CG-CE2 3.44Å; Y32-W177 VanDerWaalsContact CG-CE2 3.44Å; Y32-W177 AromaticContact CG-CZ2 3.52Å; Y32-W177 HydrophobicContact CG-CZ2 3.52Å; Y32-W177 AromaticContact CG-NE1 3.25Å; Y32-S178 WeakPolarHBondContact O-CA 3.28Å; Y32-S178 WeakPolarHBondContact O-CB 3.4Å; Y32-S178 PolarHBondContact O-N 3.46Å
33W96.1Very high92Very high0 Ų058 Ų580%028%0.283CS..SBendtrans-73.2-40.9168.9-81.866.6000110.4S27 L47 L49 F97 L145 M148 S176 S178 Y179 A182S27-W33 PolarHBondContact O-NE1 3.37Å; S27-W33 VanDerWaalsContact OG-CZ2 3.22Å; S27-W33 WeakPolarHBondContact OG-CZ2 3.45Å; S27-W33 PolarHBondContact OG-NE1 2.92Å; W33-L47 WeakPolarHBondContact CA-O 3.49Å; W33-L47 WeakPolarHBondContact CB-O 3.36Å; W33-L47 PolarHBondContact N-O 2.78Å; W33-L49 HydrophobicContact CD2-CD1 4.39Å; W33-L49 HydrophobicContact CD2-CD2 4.06Å; W33-L49 HydrophobicContact CD2-CG 3.96Å; W33-L49 HydrophobicContact CE3-CD2 4.25Å; W33-L49 HydrophobicContact CG-CG 4.24Å; W33-L49 HydrophobicContact CH2-CD1 4.17Å; W33-L49 HydrophobicContact CZ2-CD1 3.48Å; W33-L49 VanDerWaalsContact CZ2-CD1 3.48Å; W33-L49 HydrophobicContact CZ2-CD2 4.35Å; W33-L49 HydrophobicContact CZ2-CG 3.97Å; W33-L49 HydrophobicContact CZ3-CD2 4.48Å; W33-F97 HydrophobicContact CH2-CD1 4.43Å; W33-F97 AromaticContact CH2-CD2 3.55Å; W33-F97 HydrophobicContact CH2-CD2 3.55Å; W33-F97 AromaticContact CH2-CE2 3.66Å; W33-F97 HydrophobicContact CH2-CE2 3.66Å; W33-F97 AromaticContact CH2-CG 3.95Å; W33-F97 HydrophobicContact CH2-CG 3.95Å; W33-F97 HydrophobicContact CH2-CZ 4.15Å; W33-F97 AromaticContact CZ2-CD1 3.99Å; W33-F97 HydrophobicContact CZ2-CD1 3.99Å; W33-F97 AromaticContact CZ2-CD2 3.84Å; W33-F97 HydrophobicContact CZ2-CD2 3.84Å; W33-F97 AromaticContact CZ2-CE1 3.83Å; W33-F97 HydrophobicContact CZ2-CE1 3.83Å; W33-F97 AromaticContact CZ2-CE2 3.69Å; W33-F97 HydrophobicContact CZ2-CE2 3.69Å; W33-F97 AromaticContact CZ2-CG 3.97Å; W33-F97 HydrophobicContact CZ2-CG 3.97Å; W33-F97 AromaticContact CZ2-CZ 3.68Å; W33-F97 HydrophobicContact CZ2-CZ 3.68Å; W33-L145 HydrophobicContact CZ3-CD2 4.39Å; W33-M148 HydrophobicContact CB-CE 4.11Å; W33-M148 HydrophobicContact CE3-CG 4.08Å; W33-M148 HydrophobicContact CE3-SD 4.2Å; W33-S176 PolarHBondContact O-N 3.34Å; W33-S178 PolarHBondContact NE1-OG 3.47Å; W33-Y179 AromaticContact CE3-CD2 3.83Å; W33-Y179 HydrophobicContact CE3-CD2 3.83Å; W33-Y179 AromaticContact CZ3-CD2 3.88Å; W33-Y179 HydrophobicContact CZ3-CD2 3.88Å; W33-A182 HydrophobicContact CH2-CB 3.82Å; W33-A182 HydrophobicContact CZ2-CB 3.93Å
34Y94.1Very high91.6Very high1 Ų157.2 Ų57.20%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-136129.7176.1-169.6-119.6000109.1F44 R46 L47 I152 W166 L170 N173 S174Y34-F44 AromaticContact CD1-CE1 3.6Å; Y34-F44 HydrophobicContact CD1-CE1 3.6Å; Y34-F44 AromaticContact CD1-CZ 3.78Å; Y34-F44 HydrophobicContact CD1-CZ 3.78Å; Y34-F44 HydrophobicContact CE1-CE1 4Å; Y34-R46 CarbonylContact O-C 3.6Å; Y34-R46 VanDerWaalsContact O-CA 3.27Å; Y34-R46 WeakPolarHBondContact O-CA 3.37Å; Y34-L47 PolarHBondContact N-O 3.5Å; Y34-L47 PolarHBondContact O-N 3.01Å; Y34-I152 HydrophobicContact CD2-CD1 3.5Å; Y34-I152 HydrophobicContact CD2-CG1 4.31Å; Y34-I152 HydrophobicContact CE2-CD1 3.84Å; Y34-I152 HydrophobicContact CE2-CG1 4.27Å; Y34-I152 HydrophobicContact CE2-CG2 3.74Å; Y34-I152 HydrophobicContact CG-CD1 4.1Å; Y34-W166 HydrophobicContact CD1-CH2 4.33Å; Y34-W166 HydrophobicContact CD1-CZ3 4.38Å; Y34-W166 HydrophobicContact CE1-CH2 4.42Å; Y34-W166 HydrophobicContact CE1-CZ3 4.03Å; Y34-L170 HydrophobicContact CE1-CD2 3.89Å; Y34-L170 VanDerWaalsContact OH-CD2 3.24Å; Y34-L170 WeakPolarHBondContact OH-CD2 2.99Å; Y34-L170 PolarHBondContact OH-O 2.92Å; Y34-N173 HydrophobicContact CD1-CB 4.3Å; Y34-N173 HydrophobicContact CE1-CB 3.46Å; Y34-N173 VanDerWaalsContact CE1-CB 3.46Å; Y34-N173 HydrophobicContact CE2-CB 3.98Å; Y34-N173 WeakPolarHBondContact OH-CB 3.43Å; Y34-S174 WeakPolarHBondContact CA-O 3.36Å; Y34-S174 WeakPolarHBondContact CD2-O 3.32Å
35A94Very high91.4Very high8 Ų858.5 Ų58.57%0.06629%0.285CS..EExtended strand (participates in β ladder)trans-145.4154-17700000112Y32 V45 R46 N173 S174Y32-A35 HydrophobicContact CD1-CB 4.36Å; A35-V45 WeakPolarHBondContact CA-O 3.41Å; A35-R46 HydrophobicContact CB-CB 3.9Å; A35-N173 CarbonylContact O-C 3.4Å; A35-N173 WeakPolarHBondContact O-CA 3.19Å; A35-S174 PolarHBondContact N-O 3.42Å; A35-S174 PolarHBondContact O-N 3.05Å
36R91.4Very high91.2Very high59 Ų5956.4 Ų56.422%0.22327%0.274CS..EExtended strand (participates in β ladder)trans-67.5151.8171.875.5175.7-174.8-159.2-1.1111.4N42 F44 V45 E55 Q172 N173R36-N42 PolarHBondContact NH1-O 3.37Å; R36-F44 WeakPolarHBondContact CD-O 3.39Å; R36-V45 PolarHBondContact N-O 3.1Å; R36-E55 IonicContact CZ-OE2 3.75Å; R36-E55 VanDerWaalsContact CZ-OE2 3.25Å; R36-E55 IonicContact NH1-OE2 3.88Å; R36-E55 PolarHBondContact NH1-OE2 2.63Å; R36-E55 IonicContact NH2-OE2 3.85Å; R36-E55 PolarHBondContact NH2-OE2 2.87Å; R36-Q172 WeakPolarHBondContact CA-O 3.39Å; R36-N173 WeakPolarHBondContact CA-OD1 3.39Å; R36-N173 WeakPolarHBondContact CB-OD1 3.36Å
37Y89.8Confident91Very high120 Ų12054 Ų5447%0.47126%0.259SS..  trans-63147.2168.2-68.1-65.5000110.6Q39 S40 Q172Y37-Q39 PolarHBondContact O-N 3.27Å; Y37-S40 VanDerWaalsContact O-CB 3.24Å; Y37-S40 WeakPolarHBondContact O-CB 3.45Å; Y37-S40 PolarHBondContact O-N 2.89Å; Y37-Q172 VanDerWaalsContact CD2-C 3.48Å; Y37-Q172 WeakPolarHBondContact CD2-O 3.15Å; Y37-Q172 PolarHBondContact N-O 3.32Å
38P85Confident90.9Very high130 Ų13054 Ų5484%0.84426%0.26SS*.THydrogen-bonded Turntrans-57.2-26.5-179.3-26.234.1000114.7
39Q83.9Confident90.9Very high183 Ų18353 Ų5386%0.85526%0.255SS*.THydrogen-bonded Turntrans-87.5-8.8179.4-63.5177-7.400113.3Y37Y37-Q39 PolarHBondContact O-N 3.27Å
40S82.8Confident90.9Very high8 Ų852.3 Ų52.36%0.05624%0.243CC..  trans-77.6136.5-178.51720000111.3Y37 N42 Q172Y37-S40 VanDerWaalsContact O-CB 3.24Å; Y37-S40 WeakPolarHBondContact O-CB 3.45Å; Y37-S40 PolarHBondContact O-N 2.89Å; S40-N42 VanDerWaalsContact C-N 3.27Å; S40-N42 WeakPolarHBondContact OG-CB 3.29Å; S40-N42 PolarHBondContact OG-N 2.87Å; S40-Q172 WeakPolarHBondContact OG-CB 3.28Å; S40-Q172 PolarHBondContact OG-OE1 3.03Å
41Q81.2Confident90.9Very high171 Ų17152 Ų5280%0.79924%0.24SC*.  trans-93.621.1171.4-62.3-65.6-33.300111.8R43Q41-R43 PolarHBondContact O-N 3.49Å
42N83Confident90.9Very high3 Ų351.4 Ų51.42%0.01624%0.237CC..  trans-65.3135.8-179.8-169.1-6.5000110.3R36 S40 F44 E168 D169 N173R36-N42 PolarHBondContact NH1-O 3.37Å; S40-N42 VanDerWaalsContact C-N 3.27Å; S40-N42 WeakPolarHBondContact OG-CB 3.29Å; S40-N42 PolarHBondContact OG-N 2.87Å; N42-F44 PolarHBondContact O-N 3.09Å; N42-F44 PolarHBondContact OD1-N 3.41Å; N42-E168 PolarHBondContact ND2-O 2.92Å; N42-E168 PolarHBondContact OD1-O 3.25Å; N42-D169 PolarHBondContact ND2-O 3.23Å; N42-N173 PolarHBondContact ND2-ND2 2.9Å; N42-N173 PolarHBondContact ND2-OD1 3.38Å
43R86.9Confident90.9Very high108 Ų10848.5 Ų48.541%0.40823%0.226SC..SBendtrans-68.2-24.3179.1-62.7169.8178.9-171.9-0.1112.4Q41 F54 E55 G56 Y57Q41-R43 PolarHBondContact O-N 3.49Å; R43-F54 WeakPolarHBondContact O-CA 3.26Å; R43-E55 WeakPolarHBondContact CA-O 3.4Å; R43-E55 PolarHBondContact O-N 3.01Å; R43-G56 WeakPolarHBondContact CD-O 3.48Å; R43-Y57 HydrophobicContact CB-CD2 4.04Å
44F89.1Confident90.7Very high0 Ų048.8 Ų48.80%023%0.227CC..EExtended strand (participates in β ladder)trans-77.3123.8165170.2-98.4000109.8Y34 R36 N42 R46 L47 V52 F54 L167 N173Y34-F44 AromaticContact CD1-CE1 3.6Å; Y34-F44 HydrophobicContact CD1-CE1 3.6Å; Y34-F44 AromaticContact CD1-CZ 3.78Å; Y34-F44 HydrophobicContact CD1-CZ 3.78Å; Y34-F44 HydrophobicContact CE1-CE1 4Å; R36-F44 WeakPolarHBondContact CD-O 3.39Å; N42-F44 PolarHBondContact O-N 3.09Å; N42-F44 PolarHBondContact OD1-N 3.41Å; F44-R46 VanDerWaalsContact CZ-C 3.47Å; F44-L47 HydrophobicContact CE2-CB 3.76Å; F44-L47 HydrophobicContact CZ-CB 3.52Å; F44-V52 HydrophobicContact CD2-CG2 4.37Å; F44-V52 HydrophobicContact CE2-CG2 3.95Å; F44-F54 HydrophobicContact CD2-CD1 4.3Å; F44-F54 AromaticContact CD2-CE1 3.89Å; F44-F54 HydrophobicContact CD2-CE1 3.89Å; F44-L167 HydrophobicContact CB-CD2 4.45Å; F44-L167 HydrophobicContact CD2-CD1 4.31Å; F44-L167 HydrophobicContact CD2-CD2 3.68Å; F44-L167 HydrophobicContact CD2-CG 4.48Å; F44-L167 HydrophobicContact CE2-CD1 4.15Å; F44-L167 HydrophobicContact CE2-CD2 4.25Å; F44-L167 HydrophobicContact CG-CD2 4.25Å; F44-N173 WeakPolarHBondContact CD1-ND2 3.36Å
45V92.1Very high90.5Very high30 Ų3053.6 Ų53.618%0.18225%0.25CC..EExtended strand (participates in β ladder)trans-96.3-59.5-177.8-1760000110.5A35 R36 C53 E55A35-V45 WeakPolarHBondContact CA-O 3.41Å; R36-V45 PolarHBondContact N-O 3.1Å; V45-C53 HydrophobicContact CB-CB 4.25Å; V45-C53 WeakPolarHBondContact CB-O 3.27Å; V45-C53 PolarHBondContact N-O 3.07Å; V45-E55 HydrophobicContact CG2-CB 3.7Å
46R93.6Very high90.1Very high57 Ų5753.7 Ų53.722%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-162.1153.8-174.764-176.8-177.1-142.9-1112.1P31 Y32 Y34 A35 F44 C53 C70P31-R46 HydrophobicContact CB-CG 4.35Å; P31-R46 WeakPolarHBondContact O-CB 3.32Å; P31-R46 WeakPolarHBondContact O-CD 3.49Å; P31-R46 VanDerWaalsContact O-CG 3.27Å; P31-R46 WeakPolarHBondContact O-CG 3.37Å; Y32-R46 HydrophobicContact CD1-CB 4.44Å; Y32-R46 VanDerWaalsContact CE1-CD 3.49Å; Y32-R46 PolarHBondContact OH-NH1 3.38Å; Y34-R46 CarbonylContact O-C 3.6Å; Y34-R46 VanDerWaalsContact O-CA 3.27Å; Y34-R46 WeakPolarHBondContact O-CA 3.37Å; A35-R46 HydrophobicContact CB-CB 3.9Å; F44-R46 VanDerWaalsContact CZ-C 3.47Å; R46-C53 HydrophobicContact CG-CB 3.77Å; R46-C53 PolarHBondContact N-O 2.91Å; R46-C53 PolarHBondContact NE-SG 2.88Å; R46-C53 PolarHBondContact O-N 2.94Å; R46-C70 PolarHBondContact NH2-SG 3.41Å; R46-C70 VanDerWaalsContact NH2-SG 3.35Å
47L94.3Very high89.8Confident0 Ų051.2 Ų51.20%024%0.242CC..EExtended strand (participates in β ladder)trans-132.4125.6178.8176.968000108.1P31 W33 Y34 F44 V52 L73 I85 F90 W166P31-L47 CarbonylContact O-C 3.47Å; P31-L47 VanDerWaalsContact O-C 3.32Å; P31-L47 PolarHBondContact O-N 2.77Å; W33-L47 WeakPolarHBondContact CA-O 3.49Å; W33-L47 WeakPolarHBondContact CB-O 3.36Å; W33-L47 PolarHBondContact N-O 2.78Å; Y34-L47 PolarHBondContact N-O 3.5Å; Y34-L47 PolarHBondContact O-N 3.01Å; F44-L47 HydrophobicContact CE2-CB 3.76Å; F44-L47 HydrophobicContact CZ-CB 3.52Å; L47-V52 HydrophobicContact CD1-CB 3.87Å; L47-V52 HydrophobicContact CD1-CG2 3.95Å; L47-L73 HydrophobicContact CD1-CD1 4.4Å; L47-L73 HydrophobicContact CD1-CD2 4.1Å; L47-I85 HydrophobicContact CD1-CG2 4.28Å; L47-F90 HydrophobicContact CD1-CE2 4.5Å; L47-F90 HydrophobicContact CD1-CZ 3.99Å; L47-F90 HydrophobicContact CD2-CD2 4.36Å; L47-F90 HydrophobicContact CD2-CE2 3.83Å; L47-F90 HydrophobicContact CD2-CZ 4.11Å; L47-F90 HydrophobicContact CG-CE2 4.16Å; L47-F90 HydrophobicContact CG-CZ 4.14Å; L47-W166 HydrophobicContact CD2-CH2 4.17Å; L47-W166 HydrophobicContact CD2-CZ2 4.17Å
48G95.8Very high89.4Confident1 Ų148 Ų481%0.0123%0.232CC..  trans-103.6-169.7159.600000111.5W50 E51 F90G48-W50 VanDerWaalsContact C-N 3.27Å; G48-W50 PolarHBondContact O-N 3.38Å; G48-E51 PolarHBondContact N-O 2.89Å; G48-F90 WeakPolarHBondContact O-CZ 3.3Å
49L95.7Very high88.8Confident0 Ų042.7 Ų42.70%020%0.199CC..SBendtrans-72.6-19.9176.2-66.2175.4000113.3M28 W33 L73 Q94 F97M28-L49 HydrophobicContact SD-CD1 3.83Å; W33-L49 HydrophobicContact CD2-CD1 4.39Å; W33-L49 HydrophobicContact CD2-CD2 4.06Å; W33-L49 HydrophobicContact CD2-CG 3.96Å; W33-L49 HydrophobicContact CE3-CD2 4.25Å; W33-L49 HydrophobicContact CG-CG 4.24Å; W33-L49 HydrophobicContact CH2-CD1 4.17Å; W33-L49 HydrophobicContact CZ2-CD1 3.48Å; W33-L49 VanDerWaalsContact CZ2-CD1 3.48Å; W33-L49 HydrophobicContact CZ2-CD2 4.35Å; W33-L49 HydrophobicContact CZ2-CG 3.97Å; W33-L49 HydrophobicContact CZ3-CD2 4.48Å; L49-L73 VanDerWaalsContact O-CD1 3.28Å; L49-L73 WeakPolarHBondContact O-CD1 3.42Å; L49-Q94 HydrophobicContact CD2-CG 4.09Å; L49-Q94 PolarHBondContact O-NE2 3.32Å; L49-F97 HydrophobicContact CD1-CB 3.82Å; L49-F97 HydrophobicContact CD1-CD1 3.19Å; L49-F97 HydrophobicContact CD1-CE1 3.88Å; L49-F97 HydrophobicContact CD1-CG 3.65Å
50W96.2Very high88.1Confident68 Ų6841.1 Ų41.126%0.25819%0.19SC..SBendtrans-131.9-13.4-174.5-59101.8000114M28 G48 Y72 L73 F74 T98M28-W50 HydrophobicContact CE-CZ2 3.5Å; M28-W50 HydrophobicContact SD-CZ2 4.45Å; M28-W50 PolarHBondContact SD-NE1 3.16Å; G48-W50 VanDerWaalsContact C-N 3.27Å; G48-W50 PolarHBondContact O-N 3.38Å; W50-Y72 HydrophobicContact CB-CD2 4.36Å; W50-Y72 HydrophobicContact CB-CE2 4Å; W50-Y72 HydrophobicContact CE3-CE2 4.23Å; W50-Y72 WeakPolarHBondContact O-CA 3.45Å; W50-Y72 WeakPolarHBondContact O-CD2 3.41Å; W50-L73 PolarHBondContact O-N 2.99Å; W50-F74 HydrophobicContact CE3-CD2 4.43Å; W50-F74 AromaticContact CE3-CE2 3.81Å; W50-F74 HydrophobicContact CE3-CE2 3.81Å; W50-F74 HydrophobicContact CZ3-CD2 4.49Å; W50-F74 AromaticContact CZ3-CE2 3.62Å; W50-F74 HydrophobicContact CZ3-CE2 3.62Å; W50-F74 HydrophobicContact CZ3-CZ 4.38Å; W50-T98 WeakPolarHBondContact CZ2-OG1 3.46Å
51E95.5Very high87.2Confident68 Ų6847 Ų4732%0.31821%0.214SC..EExtended strand (participates in β ladder)trans-136.7140-174.9-176.5179.2111.200109.6P31 G48 C70 F71P31-E51 HydrophobicContact CB-CB 4.22Å; P31-E51 HydrophobicContact CB-CG 4.38Å; G48-E51 PolarHBondContact N-O 2.89Å; E51-C70 HydrophobicContact CG-CB 3.9Å; E51-C70 VanDerWaalsContact OE1-CB 3.25Å; E51-C70 WeakPolarHBondContact OE1-CB 3.35Å; E51-C70 PolarHBondContact OE1-SG 3.43Å; E51-F71 WeakPolarHBondContact CA-O 3.24Å
52V94Very high85.9Confident0 Ų045.3 Ų45.30%022%0.218CC..EExtended strand (participates in β ladder)trans-124.7139.3173.863.90000109F44 L47 F54 C70 F71 L73 I78 I85F44-V52 HydrophobicContact CD2-CG2 4.37Å; F44-V52 HydrophobicContact CE2-CG2 3.95Å; L47-V52 HydrophobicContact CD1-CB 3.87Å; L47-V52 HydrophobicContact CD1-CG2 3.95Å; V52-F54 HydrophobicContact CB-CE2 4.28Å; V52-F54 HydrophobicContact CB-CZ 4.38Å; V52-F54 HydrophobicContact CG1-CD2 4.37Å; V52-F54 HydrophobicContact CG1-CE2 3.57Å; V52-F54 HydrophobicContact CG1-CZ 4.03Å; V52-F54 HydrophobicContact CG2-CD2 4.44Å; V52-F54 HydrophobicContact CG2-CE1 3.92Å; V52-F54 HydrophobicContact CG2-CE2 3.73Å; V52-F54 HydrophobicContact CG2-CZ 3.42Å; V52-F54 VanDerWaalsContact CG2-CZ 3.42Å; V52-C70 CarbonylContact O-C 3.58Å; V52-C70 WeakPolarHBondContact O-CA 3.25Å; V52-F71 HydrophobicContact CG1-CB 4.46Å; V52-F71 PolarHBondContact N-O 2.92Å; V52-F71 PolarHBondContact O-N 3.42Å; V52-L73 HydrophobicContact CB-CD2 4.02Å; V52-L73 HydrophobicContact CG1-CD2 3.92Å; V52-I78 HydrophobicContact CG1-CD1 3.87Å; V52-I85 HydrophobicContact CG1-CD1 4.18Å
53C94.1Very high84.7Confident4 Ų447.2 Ų47.23%0.02724%0.238CC..EExtended strand (participates in β ladder)trans-119.8137.1178.7-50.60000111.6V45 R46 G69 C70V45-C53 HydrophobicContact CB-CB 4.25Å; V45-C53 WeakPolarHBondContact CB-O 3.27Å; V45-C53 PolarHBondContact N-O 3.07Å; R46-C53 HydrophobicContact CG-CB 3.77Å; R46-C53 PolarHBondContact N-O 2.91Å; R46-C53 PolarHBondContact NE-SG 2.88Å; R46-C53 PolarHBondContact O-N 2.94Å; C53-G69 WeakPolarHBondContact CA-O 3.12Å; C53-C70 HydrophobicContact CB-CB 4.08Å; C53-C70 WeakPolarHBondContact CB-SG 3.31Å; C53-C70 WeakPolarHBondContact SG-CB 3.44Å; C53-C70 CovalentContact SG-SG 2.04Å; C53-C70 PolarHBondContact SG-SG 3.11Å
54F92.2Very high83.6Confident5 Ų548.7 Ų48.72%0.02226%0.255CS..EExtended strand (participates in β ladder)trans-128.8153-177.2-62.7-65.6000111.6R43 F44 V52 Y57 Y67 G69 F71 L81 I85 L167R43-F54 WeakPolarHBondContact O-CA 3.26Å; F44-F54 HydrophobicContact CD2-CD1 4.3Å; F44-F54 AromaticContact CD2-CE1 3.89Å; F44-F54 HydrophobicContact CD2-CE1 3.89Å; V52-F54 HydrophobicContact CB-CE2 4.28Å; V52-F54 HydrophobicContact CB-CZ 4.38Å; V52-F54 HydrophobicContact CG1-CD2 4.37Å; V52-F54 HydrophobicContact CG1-CE2 3.57Å; V52-F54 HydrophobicContact CG1-CZ 4.03Å; V52-F54 HydrophobicContact CG2-CD2 4.44Å; V52-F54 HydrophobicContact CG2-CE1 3.92Å; V52-F54 HydrophobicContact CG2-CE2 3.73Å; V52-F54 HydrophobicContact CG2-CZ 3.42Å; V52-F54 VanDerWaalsContact CG2-CZ 3.42Å; F54-Y57 AromaticContact CD1-CD1 3.98Å; F54-Y57 HydrophobicContact CD1-CD1 3.98Å; F54-Y57 HydrophobicContact CD1-CD2 4.04Å; F54-Y57 AromaticContact CD1-CG 3.53Å; F54-Y57 HydrophobicContact CD1-CG 3.53Å; F54-Y57 AromaticContact CE1-CD1 3.84Å; F54-Y57 HydrophobicContact CE1-CD1 3.84Å; F54-Y57 HydrophobicContact CE1-CD2 4.15Å; F54-Y57 HydrophobicContact CE1-CE1 4.3Å; F54-Y57 AromaticContact CE1-CG 3.77Å; F54-Y57 HydrophobicContact CE1-CG 3.77Å; F54-Y57 HydrophobicContact CG-CG 4.2Å; F54-Y57 HydrophobicContact CZ-CD1 4.28Å; F54-Y67 WeakPolarHBondContact CB-O 3.39Å; F54-G69 PolarHBondContact N-O 2.93Å; F54-G69 PolarHBondContact O-N 2.9Å; F54-F71 HydrophobicContact CD2-CD2 4.17Å; F54-F71 HydrophobicContact CD2-CE2 4.5Å; F54-L81 HydrophobicContact CD2-CD1 4.49Å; F54-L81 HydrophobicContact CE2-CD1 3.63Å; F54-L81 HydrophobicContact CZ-CD1 3.83Å; F54-I85 HydrophobicContact CZ-CD1 4.26Å; F54-L167 HydrophobicContact CE1-CD2 3.9Å; F54-L167 HydrophobicContact CZ-CD2 4.35Å
55E90.7Very high83.2Confident102 Ų10256.7 Ų56.748%0.47729%0.286SS..EExtended strand (participates in β ladder)trans-129.985.8173.5-172.5172.1-158.800108.5R36 R43 V45R36-E55 IonicContact CZ-OE2 3.75Å; R36-E55 VanDerWaalsContact CZ-OE2 3.25Å; R36-E55 IonicContact NH1-OE2 3.88Å; R36-E55 PolarHBondContact NH1-OE2 2.63Å; R36-E55 IonicContact NH2-OE2 3.85Å; R36-E55 PolarHBondContact NH2-OE2 2.87Å; R43-E55 WeakPolarHBondContact CA-O 3.4Å; R43-E55 PolarHBondContact O-N 3.01Å; V45-E55 HydrophobicContact CG2-CB 3.7Å
56G85.7Confident82.9Confident10 Ų1060.3 Ų60.310%0.10330%0.302CS..EExtended strand (participates in β ladder)trans72.328.5-179.200000113.9R43 Y67 F68R43-G56 WeakPolarHBondContact CD-O 3.48Å; G56-Y67 PolarHBondContact N-O 3.18Å; G56-F68 VanDerWaalsContact CA-CE1 3.42Å; G56-F68 VanDerWaalsContact CA-CZ 3.49Å; G56-F68 VanDerWaalsContact N-CE1 3.29Å
57Y84.8Confident82.6Confident7 Ų758.5 Ų58.53%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-67.6136.5179.7-174.2-97.7000111.4R43 F54 M66 Y67 L81 L167 E168R43-Y57 HydrophobicContact CB-CD2 4.04Å; F54-Y57 AromaticContact CD1-CD1 3.98Å; F54-Y57 HydrophobicContact CD1-CD1 3.98Å; F54-Y57 HydrophobicContact CD1-CD2 4.04Å; F54-Y57 AromaticContact CD1-CG 3.53Å; F54-Y57 HydrophobicContact CD1-CG 3.53Å; F54-Y57 AromaticContact CE1-CD1 3.84Å; F54-Y57 HydrophobicContact CE1-CD1 3.84Å; F54-Y57 HydrophobicContact CE1-CD2 4.15Å; F54-Y57 HydrophobicContact CE1-CE1 4.3Å; F54-Y57 AromaticContact CE1-CG 3.77Å; F54-Y57 HydrophobicContact CE1-CG 3.77Å; F54-Y57 HydrophobicContact CG-CG 4.2Å; F54-Y57 HydrophobicContact CZ-CD1 4.28Å; Y57-M66 WeakPolarHBondContact O-CA 3.42Å; Y57-Y67 HydrophobicContact CD1-CD2 4.33Å; Y57-Y67 PolarHBondContact N-O 3.47Å; Y57-Y67 WeakPolarHBondContact O-CD2 3.29Å; Y57-Y67 PolarHBondContact O-N 3.45Å; Y57-L81 HydrophobicContact CD1-CD1 4.31Å; Y57-L81 HydrophobicContact CD1-CD2 4.29Å; Y57-L81 HydrophobicContact CE1-CD1 4.41Å; Y57-L81 HydrophobicContact CE1-CD2 3.76Å; Y57-L167 HydrophobicContact CE2-CD2 4.39Å; Y57-E168 HydrophobicContact CE2-CB 4.42Å; Y57-E168 HydrophobicContact CE2-CG 4.2Å
58M81.1Confident82.5Confident52 Ų5264.6 Ų64.626%0.25632%0.322SS..EExtended strand (participates in β ladder)trans-126.1127.3176.6-67.4179.3177.200109.3M66M58-M66 HydrophobicContact CE-CE 2.98Å; M58-M66 HydrophobicContact CE-CG 3.26Å; M58-M66 HydrophobicContact CE-SD 3.64Å; M58-M66 HydrophobicContact CG-CG 3.9Å; M58-M66 HydrophobicContact SD-CG 4.44Å
59A72.7Confident82.4Confident19 Ų1966.4 Ų66.416%0.15734%0.341CS..  trans-70.4142.9171.100000110.4K61 L81 I84A59-K61 PolarHBondContact O-N 2.93Å; A59-L81 HydrophobicContact CB-CD2 3.71Å; A59-I84 HydrophobicContact CB-CD1 4.35Å
60K69.1Low82.4Confident150 Ų15069 Ų6965%0.65236%0.359SS*.SBendtrans-61-12.5172.9-70.9176.1179.1166.90114S165 E168K60-S165 PolarHBondContact NZ-OG 3.46Å; K60-S165 VanDerWaalsContact NZ-OG 3.11Å; K60-E168 WeakPolarHBondContact CE-OE1 3.32Å
61K64.2Low82.3Confident131 Ų13167.2 Ų67.257%0.5735%0.352SS*.SBendtrans-80.5146.6179.7-73.9-171.1178.2-179.40111.5A59 G63A59-K61 PolarHBondContact O-N 2.93Å; K61-G63 PolarHBondContact O-N 3.3Å
62P52.5Low82.3Confident136 Ų13669.7 Ų69.788%0.88336%0.36SS*.SBendtrans-64120-177.625.3-32.6000110.6
63G59Low82.3Confident43 Ų4369.7 Ų69.744%0.44336%0.36SS..SBendtrans162.3-9.9-176.200000115.5K61 Y65K61-G63 PolarHBondContact O-N 3.3Å; G63-Y65 WeakPolarHBondContact O-CD2 3.2Å; G63-Y65 VanDerWaalsContact O-CE2 3.25Å; G63-Y65 WeakPolarHBondContact O-CE2 3.31Å; G63-Y65 PolarHBondContact O-N 2.82Å
64N64.2Low82.2Confident140 Ų14073.7 Ų73.775%0.74938%0.377SS*.  trans3927.5167.5-711.3000118.4M66N64-M66 PolarHBondContact O-N 3.14Å
65Y79.1Confident82.2Confident168 Ų16875.8 Ų75.866%0.65939%0.388SS*.PPolyproline II helixtrans-79121.7169-63.5-72.9000108.8G63G63-Y65 WeakPolarHBondContact O-CD2 3.2Å; G63-Y65 VanDerWaalsContact O-CE2 3.25Å; G63-Y65 WeakPolarHBondContact O-CE2 3.31Å; G63-Y65 PolarHBondContact O-N 2.82Å
66M86Confident82.2Confident106 Ų10681.3 Ų81.352%0.52241%0.405SS..EExtended strand (participates in β ladder)trans-84128.5166.6-66.3-173.8-162.200109Y57 M58 N64 F68Y57-M66 WeakPolarHBondContact O-CA 3.42Å; M58-M66 HydrophobicContact CE-CE 2.98Å; M58-M66 HydrophobicContact CE-CG 3.26Å; M58-M66 HydrophobicContact CE-SD 3.64Å; M58-M66 HydrophobicContact CG-CG 3.9Å; M58-M66 HydrophobicContact SD-CG 4.44Å; N64-M66 PolarHBondContact O-N 3.14Å; M66-F68 HydrophobicContact CB-CD2 4.1Å; M66-F68 HydrophobicContact CB-CE2 3.48Å; M66-F68 VanDerWaalsContact CB-CE2 3.48Å; M66-F68 HydrophobicContact CB-CZ 4.26Å; M66-F68 HydrophobicContact CG-CE2 4.35Å; M66-F68 HydrophobicContact SD-CE2 3.93Å; M66-F68 HydrophobicContact SD-CZ 4Å
67Y88.4Confident82.2Confident19 Ų1987.8 Ų87.88%0.07543%0.43CS..EExtended strand (participates in β ladder)trans-96.1125.1176.7-61.2-82.1000110.4F54 G56 Y57 F71 K77 I78 T80 L81F54-Y67 WeakPolarHBondContact CB-O 3.39Å; G56-Y67 PolarHBondContact N-O 3.18Å; Y57-Y67 HydrophobicContact CD1-CD2 4.33Å; Y57-Y67 PolarHBondContact N-O 3.47Å; Y57-Y67 WeakPolarHBondContact O-CD2 3.29Å; Y57-Y67 PolarHBondContact O-N 3.45Å; Y67-F71 HydrophobicContact CD1-CE2 4.4Å; Y67-F71 HydrophobicContact CD1-CZ 4.38Å; Y67-K77 WeakPolarHBondContact CE1-O 3.28Å; Y67-I78 HydrophobicContact CD1-CG2 3.77Å; Y67-I78 HydrophobicContact CE1-CB 4.48Å; Y67-I78 HydrophobicContact CE1-CG2 3.76Å; Y67-T80 PolarHBondContact OH-OG1 3.22Å; Y67-L81 HydrophobicContact CD2-CD1 3.86Å; Y67-L81 HydrophobicContact CE1-CD1 4.48Å; Y67-L81 HydrophobicContact CE2-CD1 3.76Å; Y67-L81 HydrophobicContact CE2-CD2 4.12Å; Y67-L81 HydrophobicContact CE2-CG 3.98Å; Y67-L81 HydrophobicContact CG-CD1 4.25Å
68F92.1Very high82.4Confident128 Ų12887.5 Ų87.556%0.56143%0.429SS*.EExtended strand (participates in β ladder)trans-126.6131.9177.1-69.1-84.9000110.5G56 M66 F71G56-F68 VanDerWaalsContact CA-CE1 3.42Å; G56-F68 VanDerWaalsContact CA-CZ 3.49Å; G56-F68 VanDerWaalsContact N-CE1 3.29Å; M66-F68 HydrophobicContact CB-CD2 4.1Å; M66-F68 HydrophobicContact CB-CE2 3.48Å; M66-F68 VanDerWaalsContact CB-CE2 3.48Å; M66-F68 HydrophobicContact CB-CZ 4.26Å; M66-F68 HydrophobicContact CG-CE2 4.35Å; M66-F68 HydrophobicContact SD-CE2 3.93Å; M66-F68 HydrophobicContact SD-CZ 4Å; F68-F71 WeakPolarHBondContact O-CE2 3.44Å; F68-F71 VanDerWaalsContact O-CZ 3.25Å; F68-F71 WeakPolarHBondContact O-CZ 3.36Å
69G93.7Very high82.7Confident39 Ų3987.5 Ų87.540%0.40243%0.434SS..EExtended strand (participates in β ladder)trans93-16517900000112.8C53 F54C53-G69 WeakPolarHBondContact CA-O 3.12Å; F54-G69 PolarHBondContact N-O 2.93Å; F54-G69 PolarHBondContact O-N 2.9Å
70C95Very high83.4Confident55 Ų5590.2 Ų90.237%0.37245%0.449SS..EExtended strand (participates in β ladder)trans-102.6136.9-177.4-61.10000110.8R46 E51 V52 C53R46-C70 PolarHBondContact NH2-SG 3.41Å; R46-C70 VanDerWaalsContact NH2-SG 3.35Å; E51-C70 HydrophobicContact CG-CB 3.9Å; E51-C70 VanDerWaalsContact OE1-CB 3.25Å; E51-C70 WeakPolarHBondContact OE1-CB 3.35Å; E51-C70 PolarHBondContact OE1-SG 3.43Å; V52-C70 CarbonylContact O-C 3.58Å; V52-C70 WeakPolarHBondContact O-CA 3.25Å; C53-C70 HydrophobicContact CB-CB 4.08Å; C53-C70 WeakPolarHBondContact CB-SG 3.31Å; C53-C70 WeakPolarHBondContact SG-CB 3.44Å; C53-C70 CovalentContact SG-SG 2.04Å; C53-C70 PolarHBondContact SG-SG 3.11Å
71F94.6Very high84.2Confident29 Ų2983.1 Ų83.113%0.12742%0.418CS..EExtended strand (participates in β ladder)trans-127.8135.7-177.3-61.3-86.5000109.3E51 V52 F54 Y67 F68 L73 K77 I78E51-F71 WeakPolarHBondContact CA-O 3.24Å; V52-F71 HydrophobicContact CG1-CB 4.46Å; V52-F71 PolarHBondContact N-O 2.92Å; V52-F71 PolarHBondContact O-N 3.42Å; F54-F71 HydrophobicContact CD2-CD2 4.17Å; F54-F71 HydrophobicContact CD2-CE2 4.5Å; Y67-F71 HydrophobicContact CD1-CE2 4.4Å; Y67-F71 HydrophobicContact CD1-CZ 4.38Å; F68-F71 WeakPolarHBondContact O-CE2 3.44Å; F68-F71 VanDerWaalsContact O-CZ 3.25Å; F68-F71 WeakPolarHBondContact O-CZ 3.36Å; F71-L73 PolarHBondContact O-N 2.94Å; F71-K77 HydrophobicContact CE1-CD 4.28Å; F71-I78 HydrophobicContact CB-CD1 4.01Å; F71-I78 HydrophobicContact CB-CG1 4.49Å; F71-I78 HydrophobicContact CB-CG2 3.86Å; F71-I78 HydrophobicContact CD1-CG2 4.01Å; F71-I78 HydrophobicContact CD2-CG2 4.11Å; F71-I78 HydrophobicContact CG-CG2 3.72Å
72Y95.2Very high85.4Confident120 Ų12081.2 Ų81.247%0.47141%0.407SS..EExtended strand (participates in β ladder)trans-61.7135.4166-178.1-116.3000109.4W50 F74 D75 I78W50-Y72 HydrophobicContact CB-CD2 4.36Å; W50-Y72 HydrophobicContact CB-CE2 4Å; W50-Y72 HydrophobicContact CE3-CE2 4.23Å; W50-Y72 WeakPolarHBondContact O-CA 3.45Å; W50-Y72 WeakPolarHBondContact O-CD2 3.41Å; Y72-F74 HydrophobicContact CD1-CB 4.02Å; Y72-F74 HydrophobicContact CE1-CB 3.61Å; Y72-F74 AromaticContact CE1-CD2 3.76Å; Y72-F74 HydrophobicContact CE1-CD2 3.76Å; Y72-F74 HydrophobicContact CE1-CG 4.16Å; Y72-F74 HydrophobicContact CE2-CD2 4.47Å; Y72-F74 AromaticContact CZ-CD2 3.68Å; Y72-F74 PolarHBondContact O-N 3.46Å; Y72-F74 VanDerWaalsContact O-N 3.13Å; Y72-D75 WeakPolarHBondContact O-CB 3.47Å; Y72-D75 PolarHBondContact O-N 3.16Å; Y72-I78 WeakPolarHBondContact O-CD1 3.48Å
73L93.6Very high87.1Confident0 Ų078.3 Ų78.30%039%0.389CS..THydrogen-bonded Turntrans-59.5-30.6-171-82.1170.7000113.5L47 L49 W50 V52 F71 W82 I85 F86 F90L47-L73 HydrophobicContact CD1-CD1 4.4Å; L47-L73 HydrophobicContact CD1-CD2 4.1Å; L49-L73 VanDerWaalsContact O-CD1 3.28Å; L49-L73 WeakPolarHBondContact O-CD1 3.42Å; W50-L73 PolarHBondContact O-N 2.99Å; V52-L73 HydrophobicContact CB-CD2 4.02Å; V52-L73 HydrophobicContact CG1-CD2 3.92Å; F71-L73 PolarHBondContact O-N 2.94Å; L73-W82 PolarHBondContact O-NE1 2.92Å; L73-I85 HydrophobicContact CD2-CD1 4.2Å; L73-I85 HydrophobicContact CD2-CG2 3.63Å; L73-F86 HydrophobicContact CB-CZ 3.92Å; L73-F90 HydrophobicContact CD1-CE1 3.81Å; L73-F90 HydrophobicContact CD1-CZ 3.87Å
74F93.1Very high88.4Confident89 Ų8977.9 Ų77.939%0.3938%0.376SS..THydrogen-bonded Turntrans-97.614.1177.2-53.8-88.2000113.4W50 Y72 R76 W82 F86W50-F74 HydrophobicContact CE3-CD2 4.43Å; W50-F74 AromaticContact CE3-CE2 3.81Å; W50-F74 HydrophobicContact CE3-CE2 3.81Å; W50-F74 HydrophobicContact CZ3-CD2 4.49Å; W50-F74 AromaticContact CZ3-CE2 3.62Å; W50-F74 HydrophobicContact CZ3-CE2 3.62Å; W50-F74 HydrophobicContact CZ3-CZ 4.38Å; Y72-F74 HydrophobicContact CD1-CB 4.02Å; Y72-F74 HydrophobicContact CE1-CB 3.61Å; Y72-F74 AromaticContact CE1-CD2 3.76Å; Y72-F74 HydrophobicContact CE1-CD2 3.76Å; Y72-F74 HydrophobicContact CE1-CG 4.16Å; Y72-F74 HydrophobicContact CE2-CD2 4.47Å; Y72-F74 AromaticContact CZ-CD2 3.68Å; Y72-F74 PolarHBondContact O-N 3.46Å; Y72-F74 VanDerWaalsContact O-N 3.13Å; F74-R76 PolarHBondContact O-N 3.44Å; F74-W82 HydrophobicContact CB-CZ2 4.45Å; F74-F86 HydrophobicContact CD1-CE2 4.49Å; F74-F86 AromaticContact CD1-CZ 3.91Å; F74-F86 HydrophobicContact CD1-CZ 3.91Å; F74-F86 AromaticContact CE1-CE1 3.92Å; F74-F86 HydrophobicContact CE1-CE1 3.92Å; F74-F86 HydrophobicContact CE1-CE2 4.36Å; F74-F86 AromaticContact CE1-CZ 3.54Å; F74-F86 HydrophobicContact CE1-CZ 3.54Å; F74-F86 HydrophobicContact CE2-CE1 4.47Å; F74-F86 HydrophobicContact CE2-CZ 4.23Å; F74-F86 HydrophobicContact CG-CZ 4.42Å; F74-F86 AromaticContact CZ-CE1 3.79Å; F74-F86 HydrophobicContact CZ-CE1 3.79Å; F74-F86 AromaticContact CZ-CZ 3.72Å; F74-F86 HydrophobicContact CZ-CZ 3.72Å
75D91.7Very high89.5Confident49 Ų4971.3 Ų71.326%0.26234%0.341SS..  trans-65.4134.1171-169.7-16.7000109.9Y72 K77 I78Y72-D75 WeakPolarHBondContact O-CB 3.47Å; Y72-D75 PolarHBondContact O-N 3.16Å; D75-K77 PolarHBondContact O-N 2.93Å; D75-K77 PolarHBondContact OD1-N 2.67Å; D75-I78 HydrophobicContact CB-CG1 4.46Å; D75-I78 WeakPolarHBondContact O-CG1 3.4Å; D75-I78 PolarHBondContact O-N 2.91Å
76R89.6Confident90.1Very high218 Ų21864.9 Ų64.982%0.82332%0.316SS*.G310 helixtrans-58.2-29.4176.7-69.4-173.7-179.7-1730.7112.2F74 I78 S79F74-R76 PolarHBondContact O-N 3.44Å; R76-I78 PolarHBondContact O-N 3.48Å; R76-S79 VanDerWaalsContact O-CB 3.28Å; R76-S79 WeakPolarHBondContact O-CB 3.45Å; R76-S79 PolarHBondContact O-N 2.9Å; R76-S79 VanDerWaalsContact O-N 3.14Å; R76-S79 PolarHBondContact O-OG 3.26Å
77K87.4Confident90.4Very high146 Ų14663.8 Ų63.864%0.63531%0.306SS*.G310 helixtrans-57.3-36.1179.3-69.6179.5-177.2173.80112.9Y67 F71 D75Y67-K77 WeakPolarHBondContact CE1-O 3.28Å; F71-K77 HydrophobicContact CE1-CD 4.28Å; D75-K77 PolarHBondContact O-N 2.93Å; D75-K77 PolarHBondContact OD1-N 2.67Å
78I88.4Confident90.7Very high0 Ų069.6 Ų69.60%034%0.338CS..G310 helixtrans-103.714.3-179.264.1164.9000112.8V52 Y67 F71 Y72 D75 R76 T80 L81 W82V52-I78 HydrophobicContact CG1-CD1 3.87Å; Y67-I78 HydrophobicContact CD1-CG2 3.77Å; Y67-I78 HydrophobicContact CE1-CB 4.48Å; Y67-I78 HydrophobicContact CE1-CG2 3.76Å; F71-I78 HydrophobicContact CB-CD1 4.01Å; F71-I78 HydrophobicContact CB-CG1 4.49Å; F71-I78 HydrophobicContact CB-CG2 3.86Å; F71-I78 HydrophobicContact CD1-CG2 4.01Å; F71-I78 HydrophobicContact CD2-CG2 4.11Å; F71-I78 HydrophobicContact CG-CG2 3.72Å; Y72-I78 WeakPolarHBondContact O-CD1 3.48Å; D75-I78 HydrophobicContact CB-CG1 4.46Å; D75-I78 WeakPolarHBondContact O-CG1 3.4Å; D75-I78 PolarHBondContact O-N 2.91Å; R76-I78 PolarHBondContact O-N 3.48Å; I78-T80 PolarHBondContact O-N 2.94Å; I78-T80 VanDerWaalsContact O-N 3.09Å; I78-L81 HydrophobicContact CB-CB 4.48Å; I78-L81 HydrophobicContact CB-CD1 4.14Å; I78-L81 HydrophobicContact CB-CG 4.5Å; I78-L81 HydrophobicContact CG2-CD1 4.25Å; I78-L81 WeakPolarHBondContact O-CA 3.37Å; I78-L81 VanDerWaalsContact O-CB 3.29Å; I78-L81 WeakPolarHBondContact O-CB 3.25Å; I78-L81 PolarHBondContact O-N 3.03Å; I78-W82 PolarHBondContact O-N 3.25Å
79S87.6Confident90.8Very high53 Ų5365.2 Ų65.237%0.37132%0.318SS..G310 helixtrans-56-29-179.356.40000113.7R76 L81 W82R76-S79 VanDerWaalsContact O-CB 3.28Å; R76-S79 WeakPolarHBondContact O-CB 3.45Å; R76-S79 PolarHBondContact O-N 2.9Å; R76-S79 VanDerWaalsContact O-N 3.14Å; R76-S79 PolarHBondContact O-OG 3.26Å; S79-L81 PolarHBondContact O-N 3.42Å; S79-W82 WeakPolarHBondContact O-CB 3.3Å; S79-W82 PolarHBondContact O-N 3.45Å
80T86Confident90.9Very high75 Ų7563.4 Ų63.446%0.4630%0.299SS..G310 helixtrans-67.7-23174.159.50000113.5Y67 I78Y67-T80 PolarHBondContact OH-OG1 3.22Å; I78-T80 PolarHBondContact O-N 2.94Å; I78-T80 VanDerWaalsContact O-N 3.09Å
81L86.9Confident90.9Very high1 Ų164.4 Ų64.41%0.00530%0.3CS..G310 helixtrans-87.8-13.2176.6-60.1-179.4000113F54 Y57 A59 Y67 I78 S79 P83 I84 I85F54-L81 HydrophobicContact CD2-CD1 4.49Å; F54-L81 HydrophobicContact CE2-CD1 3.63Å; F54-L81 HydrophobicContact CZ-CD1 3.83Å; Y57-L81 HydrophobicContact CD1-CD1 4.31Å; Y57-L81 HydrophobicContact CD1-CD2 4.29Å; Y57-L81 HydrophobicContact CE1-CD1 4.41Å; Y57-L81 HydrophobicContact CE1-CD2 3.76Å; A59-L81 HydrophobicContact CB-CD2 3.71Å; Y67-L81 HydrophobicContact CD2-CD1 3.86Å; Y67-L81 HydrophobicContact CE1-CD1 4.48Å; Y67-L81 HydrophobicContact CE2-CD1 3.76Å; Y67-L81 HydrophobicContact CE2-CD2 4.12Å; Y67-L81 HydrophobicContact CE2-CG 3.98Å; Y67-L81 HydrophobicContact CG-CD1 4.25Å; I78-L81 HydrophobicContact CB-CB 4.48Å; I78-L81 HydrophobicContact CB-CD1 4.14Å; I78-L81 HydrophobicContact CB-CG 4.5Å; I78-L81 HydrophobicContact CG2-CD1 4.25Å; I78-L81 WeakPolarHBondContact O-CA 3.37Å; I78-L81 VanDerWaalsContact O-CB 3.29Å; I78-L81 WeakPolarHBondContact O-CB 3.25Å; I78-L81 PolarHBondContact O-N 3.03Å; S79-L81 PolarHBondContact O-N 3.42Å; L81-P83 VanDerWaalsContact C-CD 3.47Å; L81-I84 HydrophobicContact CD2-CD1 4.13Å; L81-I84 WeakPolarHBondContact O-CA 3.42Å; L81-I84 WeakPolarHBondContact O-CB 3.43Å; L81-I84 PolarHBondContact O-N 3.41Å; L81-I85 HydrophobicContact CB-CD1 3.81Å; L81-I85 HydrophobicContact CB-CG1 4.33Å; L81-I85 HydrophobicContact CD1-CD1 4.48Å; L81-I85 PolarHBondContact O-N 3.19Å
82W90.3Very high91Very high91 Ų9164.4 Ų64.435%0.34531%0.306SS..Hα-helixtrans-53-44.3-177.4-70.40.5000113.9L73 F74 I78 S79 I84 I85 F86L73-W82 PolarHBondContact O-NE1 2.92Å; F74-W82 HydrophobicContact CB-CZ2 4.45Å; I78-W82 PolarHBondContact O-N 3.25Å; S79-W82 WeakPolarHBondContact O-CB 3.3Å; S79-W82 PolarHBondContact O-N 3.45Å; W82-I84 PolarHBondContact O-N 3.32Å; W82-I84 VanDerWaalsContact O-N 3.15Å; W82-I85 PolarHBondContact O-N 2.96Å; W82-F86 HydrophobicContact CB-CD2 3.74Å; W82-F86 HydrophobicContact CB-CE2 4.17Å; W82-F86 AromaticContact CD1-CE2 3.6Å; W82-F86 HydrophobicContact CD2-CE2 4.19Å; W82-F86 AromaticContact CG-CD2 3.84Å; W82-F86 HydrophobicContact CG-CD2 3.84Å; W82-F86 AromaticContact CG-CE2 3.74Å; W82-F86 HydrophobicContact CG-CE2 3.74Å; W82-F86 AromaticContact NE1-CE2 3.93Å; W82-F86 WeakPolarHBondContact O-CB 3.43Å; W82-F86 PolarHBondContact O-N 3.46Å
83P86.6Confident91.1Very high76 Ų7658.7 Ų58.749%0.49428%0.283SS..Hα-helixtrans-66.2-17.5177.8-20.434.2000114.1L81L81-P83 VanDerWaalsContact C-CD 3.47Å
84I86.3Confident91.3Very high34 Ų3459.3 Ų59.317%0.17429%0.286CS..Hα-helixtrans-87.3-47.6176.3-56.4173.3000109A59 L81 W82 W166A59-I84 HydrophobicContact CB-CD1 4.35Å; L81-I84 HydrophobicContact CD2-CD1 4.13Å; L81-I84 WeakPolarHBondContact O-CA 3.42Å; L81-I84 WeakPolarHBondContact O-CB 3.43Å; L81-I84 PolarHBondContact O-N 3.41Å; W82-I84 PolarHBondContact O-N 3.32Å; W82-I84 VanDerWaalsContact O-N 3.15Å; I84-W166 PolarHBondContact O-NE1 3.28Å
85I88.3Confident91.5Very high1 Ų157.4 Ų57.41%0.00529%0.287CS..Hα-helixtrans-78.6-48.6-173.4-59.4168.4000111.8L47 V52 F54 L73 L81 W82 R87 F90L47-I85 HydrophobicContact CD1-CG2 4.28Å; V52-I85 HydrophobicContact CG1-CD1 4.18Å; F54-I85 HydrophobicContact CZ-CD1 4.26Å; L73-I85 HydrophobicContact CD2-CD1 4.2Å; L73-I85 HydrophobicContact CD2-CG2 3.63Å; L81-I85 HydrophobicContact CB-CD1 3.81Å; L81-I85 HydrophobicContact CB-CG1 4.33Å; L81-I85 HydrophobicContact CD1-CD1 4.48Å; L81-I85 PolarHBondContact O-N 3.19Å; W82-I85 PolarHBondContact O-N 2.96Å; I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 PolarHBondContact O-N 2.91Å; I85-F90 HydrophobicContact CG2-CD1 4.4Å; I85-F90 HydrophobicContact CG2-CE1 4.17Å
86F92.1Very high91.8Very high33 Ų3358.6 Ų58.615%0.14529%0.29CS..  trans-80.970.7-174.9-68.9-70.3000111.7L73 F74 W82 F90 I91L73-F86 HydrophobicContact CB-CZ 3.92Å; F74-F86 HydrophobicContact CD1-CE2 4.49Å; F74-F86 AromaticContact CD1-CZ 3.91Å; F74-F86 HydrophobicContact CD1-CZ 3.91Å; F74-F86 AromaticContact CE1-CE1 3.92Å; F74-F86 HydrophobicContact CE1-CE1 3.92Å; F74-F86 HydrophobicContact CE1-CE2 4.36Å; F74-F86 AromaticContact CE1-CZ 3.54Å; F74-F86 HydrophobicContact CE1-CZ 3.54Å; F74-F86 HydrophobicContact CE2-CE1 4.47Å; F74-F86 HydrophobicContact CE2-CZ 4.23Å; F74-F86 HydrophobicContact CG-CZ 4.42Å; F74-F86 AromaticContact CZ-CE1 3.79Å; F74-F86 HydrophobicContact CZ-CE1 3.79Å; F74-F86 AromaticContact CZ-CZ 3.72Å; F74-F86 HydrophobicContact CZ-CZ 3.72Å; W82-F86 HydrophobicContact CB-CD2 3.74Å; W82-F86 HydrophobicContact CB-CE2 4.17Å; W82-F86 AromaticContact CD1-CE2 3.6Å; W82-F86 HydrophobicContact CD2-CE2 4.19Å; W82-F86 AromaticContact CG-CD2 3.84Å; W82-F86 HydrophobicContact CG-CD2 3.84Å; W82-F86 AromaticContact CG-CE2 3.74Å; W82-F86 HydrophobicContact CG-CE2 3.74Å; W82-F86 AromaticContact NE1-CE2 3.93Å; W82-F86 WeakPolarHBondContact O-CB 3.43Å; W82-F86 PolarHBondContact O-N 3.46Å; F86-F90 HydrophobicContact CD1-CD1 4.19Å; F86-F90 HydrophobicContact CD1-CE1 4.42Å; F86-F90 HydrophobicContact CE1-CE1 4.47Å; F86-I91 HydrophobicContact CB-CD1 4.1Å; F86-I91 HydrophobicContact CB-CG1 4.07Å; F86-I91 HydrophobicContact CD1-CG1 4.06Å
87R91.9Very high92.2Very high83 Ų8348.3 Ų48.331%0.31325%0.251SS..  trans-72153.4164.8-62.6-60.5-152.6-159.4-0.7110.3I85 W89 F90 I91 E155 W166I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 PolarHBondContact O-N 2.91Å; R87-W89 HydrophobicContact CB-CD2 4.21Å; R87-W89 HydrophobicContact CB-CG 4.12Å; R87-W89 HydrophobicContact CB-CZ2 4.33Å; R87-W89 VanDerWaalsContact CB-NE1 3.25Å; R87-W89 HydrophobicContact CG-CZ2 4.39Å; R87-W89 PolarHBondContact O-N 3.21Å; R87-F90 HydrophobicContact CB-CB 4.48Å; R87-F90 WeakPolarHBondContact O-CA 3.29Å; R87-F90 WeakPolarHBondContact O-CB 3.47Å; R87-F90 PolarHBondContact O-N 3.23Å; R87-I91 WeakPolarHBondContact O-CG1 3.38Å; R87-I91 PolarHBondContact O-N 3.31Å; R87-E155 WeakPolarHBondContact CG-OE1 3.25Å; R87-E155 IonicContact CZ-OE1 2.9Å; R87-E155 IonicContact NE-OE1 2.75Å; R87-E155 PolarHBondContact NE-OE1 2.83Å; R87-E155 IonicContact NH2-OE1 2.73Å; R87-E155 IonicContact NH2-OE2 3.25Å; R87-W166 HydrophobicContact CG-CG 4.28Å; R87-W166 VanDerWaalsContact CG-NE1 3.32Å
88D93.8Very high92.7Very high141 Ų14143.8 Ų43.875%0.75424%0.236SC*.Hα-helixtrans-53.8-41.9-179.7-59-25.4000112.2F90 I91 A92D88-F90 VanDerWaalsContact C-N 3.31Å; D88-F90 PolarHBondContact O-N 2.97Å; D88-I91 PolarHBondContact O-N 2.96Å; D88-A92 WeakPolarHBondContact O-CB 3.34Å; D88-A92 PolarHBondContact O-N 3.29Å
89W94.4Very high93.1Very high37 Ų3747 Ų4714%0.1426%0.258CS..Hα-helixtrans-65.7-33.2177.863.2-105.1000112.7R87 C93 M148 I152 E155 W166R87-W89 HydrophobicContact CB-CD2 4.21Å; R87-W89 HydrophobicContact CB-CG 4.12Å; R87-W89 HydrophobicContact CB-CZ2 4.33Å; R87-W89 VanDerWaalsContact CB-NE1 3.25Å; R87-W89 HydrophobicContact CG-CZ2 4.39Å; R87-W89 PolarHBondContact O-N 3.21Å; W89-C93 WeakPolarHBondContact O-CB 3.33Å; W89-C93 PolarHBondContact O-N 3.47Å; W89-M148 HydrophobicContact CZ3-CE 4.28Å; W89-M148 HydrophobicContact CZ3-SD 3.72Å; W89-I152 HydrophobicContact CH2-CG1 4.09Å; W89-I152 HydrophobicContact CZ3-CG1 4.47Å; W89-E155 HydrophobicContact CZ2-CG 4.22Å; W89-E155 PolarHBondContact NE1-OE1 3.48Å; W89-W166 AromaticContact CH2-CE2 3.97Å; W89-W166 HydrophobicContact CH2-CE3 4.5Å; W89-W166 AromaticContact CH2-CH2 3.3Å; W89-W166 HydrophobicContact CH2-CH2 3.3Å; W89-W166 AromaticContact CH2-CZ2 3.3Å; W89-W166 HydrophobicContact CH2-CZ2 3.3Å; W89-W166 AromaticContact CH2-CZ3 3.92Å; W89-W166 HydrophobicContact CH2-CZ3 3.92Å; W89-W166 AromaticContact CZ2-CD2 3.84Å; W89-W166 HydrophobicContact CZ2-CD2 3.84Å; W89-W166 AromaticContact CZ2-CE2 3.44Å; W89-W166 VanDerWaalsContact CZ2-CE2 3.44Å; W89-W166 AromaticContact CZ2-CE3 3.97Å; W89-W166 HydrophobicContact CZ2-CE3 3.97Å; W89-W166 AromaticContact CZ2-CH2 3.56Å; W89-W166 HydrophobicContact CZ2-CH2 3.56Å; W89-W166 AromaticContact CZ2-CZ2 3.3Å; W89-W166 HydrophobicContact CZ2-CZ2 3.3Å; W89-W166 AromaticContact CZ2-CZ3 3.86Å; W89-W166 HydrophobicContact CZ2-CZ3 3.86Å
90F95.4Very high93.6Very high0 Ų044.7 Ų44.70%024%0.241CC..Hα-helixtrans-77-40.8-179.9-176-110000111L47 G48 L73 I85 F86 R87 D88 A92 C93 Q94 M148L47-F90 HydrophobicContact CD1-CE2 4.5Å; L47-F90 HydrophobicContact CD1-CZ 3.99Å; L47-F90 HydrophobicContact CD2-CD2 4.36Å; L47-F90 HydrophobicContact CD2-CE2 3.83Å; L47-F90 HydrophobicContact CD2-CZ 4.11Å; L47-F90 HydrophobicContact CG-CE2 4.16Å; L47-F90 HydrophobicContact CG-CZ 4.14Å; G48-F90 WeakPolarHBondContact O-CZ 3.3Å; L73-F90 HydrophobicContact CD1-CE1 3.81Å; L73-F90 HydrophobicContact CD1-CZ 3.87Å; I85-F90 HydrophobicContact CG2-CD1 4.4Å; I85-F90 HydrophobicContact CG2-CE1 4.17Å; F86-F90 HydrophobicContact CD1-CD1 4.19Å; F86-F90 HydrophobicContact CD1-CE1 4.42Å; F86-F90 HydrophobicContact CE1-CE1 4.47Å; R87-F90 HydrophobicContact CB-CB 4.48Å; R87-F90 WeakPolarHBondContact O-CA 3.29Å; R87-F90 WeakPolarHBondContact O-CB 3.47Å; R87-F90 PolarHBondContact O-N 3.23Å; D88-F90 VanDerWaalsContact C-N 3.31Å; D88-F90 PolarHBondContact O-N 2.97Å; F90-A92 VanDerWaalsContact C-N 3.31Å; F90-A92 PolarHBondContact O-N 3.28Å; F90-C93 WeakPolarHBondContact O-CB 3.46Å; F90-C93 PolarHBondContact O-N 3.42Å; F90-Q94 HydrophobicContact CD1-CG 4.38Å; F90-Q94 VanDerWaalsContact CE1-CD 3.45Å; F90-Q94 HydrophobicContact CE1-CG 4.01Å; F90-Q94 HydrophobicContact CZ-CG 4.08Å; F90-Q94 WeakPolarHBondContact O-CG 3.24Å; F90-Q94 PolarHBondContact O-N 2.83Å; F90-M148 HydrophobicContact CD2-SD 4.09Å; F90-M148 HydrophobicContact CE2-CE 4.48Å; F90-M148 HydrophobicContact CE2-SD 4.33Å
91I96.3Very high94.2Very high77 Ų7743.3 Ų43.340%0.39523%0.229SC..Hα-helixtrans-60.1-44.8172.6-61.3167.4000109.9F86 R87 D88 C93 Q94 A95F86-I91 HydrophobicContact CB-CD1 4.1Å; F86-I91 HydrophobicContact CB-CG1 4.07Å; F86-I91 HydrophobicContact CD1-CG1 4.06Å; R87-I91 WeakPolarHBondContact O-CG1 3.38Å; R87-I91 PolarHBondContact O-N 3.31Å; D88-I91 PolarHBondContact O-N 2.96Å; I91-C93 PolarHBondContact O-N 3.45Å; I91-Q94 PolarHBondContact O-N 2.98Å; I91-A95 WeakPolarHBondContact O-CB 3.37Å; I91-A95 PolarHBondContact O-N 3.19Å
92A97.1Very high94.7Very high29 Ų2945.7 Ų45.724%0.2425%0.249CC..Hα-helixtrans-59.3-47.4175.300000111.3D88 F90 Q94 A95 F96 T147D88-A92 WeakPolarHBondContact O-CB 3.34Å; D88-A92 PolarHBondContact O-N 3.29Å; F90-A92 VanDerWaalsContact C-N 3.31Å; F90-A92 PolarHBondContact O-N 3.28Å; A92-Q94 PolarHBondContact O-N 3.27Å; A92-A95 PolarHBondContact O-N 2.86Å; A92-F96 HydrophobicContact CB-CD2 4.46Å; A92-F96 WeakPolarHBondContact O-CD2 3.3Å; A92-F96 PolarHBondContact O-N 3.11Å; A92-T147 HydrophobicContact CB-CG2 4.24Å
93C97Very high95Very high0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-55.1-50.9175.6177.60000112W89 F90 I91 A95 F96 F97 S144 T147W89-C93 WeakPolarHBondContact O-CB 3.33Å; W89-C93 PolarHBondContact O-N 3.47Å; F90-C93 WeakPolarHBondContact O-CB 3.46Å; F90-C93 PolarHBondContact O-N 3.42Å; I91-C93 PolarHBondContact O-N 3.45Å; C93-A95 PolarHBondContact O-N 3.35Å; C93-F96 PolarHBondContact O-N 3.25Å; C93-F97 WeakPolarHBondContact O-CB 3.42Å; C93-F97 PolarHBondContact O-N 2.88Å; C93-S144 PolarHBondContact SG-O 2.89Å; C93-T147 WeakPolarHBondContact CA-OG1 3.39Å
94Q96.7Very high95.6Very high12 Ų1238.4 Ų38.46%0.05621%0.213CC..Hα-helixtrans-58-47177.4-71.2175.6-56.300111.9L49 F90 I91 A92 T98L49-Q94 HydrophobicContact CD2-CG 4.09Å; L49-Q94 PolarHBondContact O-NE2 3.32Å; F90-Q94 HydrophobicContact CD1-CG 4.38Å; F90-Q94 VanDerWaalsContact CE1-CD 3.45Å; F90-Q94 HydrophobicContact CE1-CG 4.01Å; F90-Q94 HydrophobicContact CZ-CG 4.08Å; F90-Q94 WeakPolarHBondContact O-CG 3.24Å; F90-Q94 PolarHBondContact O-N 2.83Å; I91-Q94 PolarHBondContact O-N 2.98Å; A92-Q94 PolarHBondContact O-N 3.27Å; Q94-T98 WeakPolarHBondContact O-CB 3.36Å; Q94-T98 PolarHBondContact O-N 3.3Å; Q94-T98 PolarHBondContact O-OG1 3.18Å
95A97.5Very high96.1Very high49 Ų4939.7 Ų39.741%0.40522%0.223SC..Hα-helixtrans-62.5-50.5-17900000111.5I91 A92 C93 T98 C99I91-A95 WeakPolarHBondContact O-CB 3.37Å; I91-A95 PolarHBondContact O-N 3.19Å; A92-A95 PolarHBondContact O-N 2.86Å; C93-A95 PolarHBondContact O-N 3.35Å; A95-T98 PolarHBondContact O-N 3.02Å; A95-C99 PolarHBondContact O-N 3.35Å; A95-C99 PolarHBondContact O-SG 3.41Å
96F98.3Very high96.6Very high74 Ų7444.4 Ų44.433%0.32525%0.247SC..Hα-helixtrans-67.4-38.1-179.4-79.5-71000112.6A92 C93 T98 C99 S100 S140 V143A92-F96 HydrophobicContact CB-CD2 4.46Å; A92-F96 WeakPolarHBondContact O-CD2 3.3Å; A92-F96 PolarHBondContact O-N 3.11Å; C93-F96 PolarHBondContact O-N 3.25Å; F96-T98 VanDerWaalsContact C-N 3.34Å; F96-C99 PolarHBondContact O-N 2.81Å; F96-S100 WeakPolarHBondContact O-CB 3.48Å; F96-S100 PolarHBondContact O-N 3.42Å; F96-S140 VanDerWaalsContact O-CB 3.3Å; F96-S140 WeakPolarHBondContact O-CB 3.49Å; F96-V143 HydrophobicContact CB-CG1 4.36Å; F96-V143 HydrophobicContact CD1-CB 4.22Å; F96-V143 HydrophobicContact CD1-CG1 4Å; F96-V143 HydrophobicContact CD2-CB 4.39Å; F96-V143 HydrophobicContact CD2-CG1 3.45Å; F96-V143 VanDerWaalsContact CD2-CG1 3.45Å; F96-V143 HydrophobicContact CE1-CG1 4.13Å; F96-V143 HydrophobicContact CE2-CG1 3.62Å; F96-V143 HydrophobicContact CG-CB 4.13Å; F96-V143 HydrophobicContact CG-CG1 3.67Å; F96-V143 HydrophobicContact CZ-CG1 3.96Å
97F98Very high96.8Very high2 Ų242.9 Ų42.91%0.00924%0.24CC..Hα-helixtrans-70.1-32.7176.3-158.5-98.8000112.1M28 W33 L49 C93 S100 F101 T141 S144 A182M28-F97 HydrophobicContact CB-CD1 4.42Å; M28-F97 HydrophobicContact CB-CE1 3.87Å; M28-F97 HydrophobicContact SD-CD1 3.59Å; M28-F97 VanDerWaalsContact SD-CD1 3.59Å; M28-F97 HydrophobicContact SD-CE1 4.02Å; W33-F97 HydrophobicContact CH2-CD1 4.43Å; W33-F97 AromaticContact CH2-CD2 3.55Å; W33-F97 HydrophobicContact CH2-CD2 3.55Å; W33-F97 AromaticContact CH2-CE2 3.66Å; W33-F97 HydrophobicContact CH2-CE2 3.66Å; W33-F97 AromaticContact CH2-CG 3.95Å; W33-F97 HydrophobicContact CH2-CG 3.95Å; W33-F97 HydrophobicContact CH2-CZ 4.15Å; W33-F97 AromaticContact CZ2-CD1 3.99Å; W33-F97 HydrophobicContact CZ2-CD1 3.99Å; W33-F97 AromaticContact CZ2-CD2 3.84Å; W33-F97 HydrophobicContact CZ2-CD2 3.84Å; W33-F97 AromaticContact CZ2-CE1 3.83Å; W33-F97 HydrophobicContact CZ2-CE1 3.83Å; W33-F97 AromaticContact CZ2-CE2 3.69Å; W33-F97 HydrophobicContact CZ2-CE2 3.69Å; W33-F97 AromaticContact CZ2-CG 3.97Å; W33-F97 HydrophobicContact CZ2-CG 3.97Å; W33-F97 AromaticContact CZ2-CZ 3.68Å; W33-F97 HydrophobicContact CZ2-CZ 3.68Å; L49-F97 HydrophobicContact CD1-CB 3.82Å; L49-F97 HydrophobicContact CD1-CD1 3.19Å; L49-F97 HydrophobicContact CD1-CE1 3.88Å; L49-F97 HydrophobicContact CD1-CG 3.65Å; C93-F97 WeakPolarHBondContact O-CB 3.42Å; C93-F97 PolarHBondContact O-N 2.88Å; F97-S100 WeakPolarHBondContact O-CB 3.43Å; F97-S100 PolarHBondContact O-N 3.17Å; F97-F101 WeakPolarHBondContact O-CB 3.19Å; F97-F101 PolarHBondContact O-N 3.47Å; F97-T141 HydrophobicContact CD2-CG2 4.44Å; F97-T141 HydrophobicContact CE2-CG2 4.09Å; F97-S144 WeakPolarHBondContact CD2-OG 3.47Å; F97-A182 HydrophobicContact CE2-CB 3.61Å; F97-A182 HydrophobicContact CZ-CB 3.95Å
98T97.6Very high96.9Very high52 Ų5239.5 Ų39.532%0.31923%0.228SC..Hα-helixtrans-64.8-45.7171.4-54.30000111.5M28 W50 Q94 A95 F96 S100 F101 A102M28-T98 HydrophobicContact CE-CG2 4.33Å; W50-T98 WeakPolarHBondContact CZ2-OG1 3.46Å; Q94-T98 WeakPolarHBondContact O-CB 3.36Å; Q94-T98 PolarHBondContact O-N 3.3Å; Q94-T98 PolarHBondContact O-OG1 3.18Å; A95-T98 PolarHBondContact O-N 3.02Å; F96-T98 VanDerWaalsContact C-N 3.34Å; T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 3.1Å; T98-F101 PolarHBondContact O-N 3.07Å; T98-A102 WeakPolarHBondContact O-CB 3.09Å; T98-A102 PolarHBondContact O-N 3.5Å
99C97.9Very high97Very high68 Ų6835.3 Ų35.346%0.45921%0.21SC..Hα-helixtrans-59.3-42.7174.3-71.80000111.6A95 F96 A102 S103A95-C99 PolarHBondContact O-N 3.35Å; A95-C99 PolarHBondContact O-SG 3.41Å; F96-C99 PolarHBondContact O-N 2.81Å; C99-A102 PolarHBondContact O-N 2.99Å; C99-S103 PolarHBondContact O-N 2.9Å; C99-S103 PolarHBondContact O-OG 2.95Å
100S98Very high97.1Very high4 Ų434.8 Ų34.83%0.02821%0.211CC..Hα-helixtrans-58-49.7174.2167.50000111.8F96 F97 T98 A102 S103 H104 N137 T141F96-S100 WeakPolarHBondContact O-CB 3.48Å; F96-S100 PolarHBondContact O-N 3.42Å; F97-S100 WeakPolarHBondContact O-CB 3.43Å; F97-S100 PolarHBondContact O-N 3.17Å; T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 3.1Å; S100-A102 PolarHBondContact O-N 3.34Å; S100-S103 PolarHBondContact O-N 3.43Å; S100-S103 PolarHBondContact O-OG 3.32Å; S100-H104 PolarHBondContact O-N 2.96Å; S100-N137 PolarHBondContact O-ND2 3.47Å; S100-N137 PolarHBondContact OG-ND2 3.13Å; S100-T141 WeakPolarHBondContact CB-OG1 3.26Å; S100-T141 PolarHBondContact OG-OG1 2.87Å
101F97.2Very high96.9Very high46 Ų4635 Ų3520%0.20221%0.212CC..Hα-helixtrans-62.9-43.6-179.9-174.5-106000111.4F21 F25 F97 T98 S103 H104 V105F21-F101 HydrophobicContact CD2-CE2 4.26Å; F21-F101 HydrophobicContact CE2-CD2 4.47Å; F21-F101 AromaticContact CE2-CE2 3.6Å; F21-F101 HydrophobicContact CE2-CE2 3.6Å; F21-F101 AromaticContact CE2-CZ 3.83Å; F21-F101 HydrophobicContact CE2-CZ 3.83Å; F21-F101 HydrophobicContact CZ-CE2 4.16Å; F21-F101 HydrophobicContact CZ-CZ 4.11Å; F25-F101 HydrophobicContact CB-CE2 3.84Å; F25-F101 HydrophobicContact CB-CZ 4.43Å; F25-F101 AromaticContact CD2-CE2 3.9Å; F25-F101 HydrophobicContact CD2-CE2 3.9Å; F25-F101 AromaticContact CD2-CZ 3.66Å; F25-F101 HydrophobicContact CD2-CZ 3.66Å; F25-F101 HydrophobicContact CE2-CZ 4.49Å; F25-F101 HydrophobicContact CG-CE2 4.38Å; F97-F101 WeakPolarHBondContact O-CB 3.19Å; F97-F101 PolarHBondContact O-N 3.47Å; T98-F101 PolarHBondContact O-N 3.07Å; F101-S103 PolarHBondContact O-N 2.88Å; F101-H104 PolarHBondContact O-N 3.35Å; F101-V105 HydrophobicContact CD1-CG2 4.21Å; F101-V105 HydrophobicContact CE1-CG2 3.81Å; F101-V105 HydrophobicContact CE2-CG2 4.48Å; F101-V105 HydrophobicContact CZ-CG2 3.94Å; F101-V105 WeakPolarHBondContact O-CG2 3.38Å; F101-V105 PolarHBondContact O-N 2.94Å
102A98.1Very high96.8Very high51 Ų5135.1 Ų35.142%0.42121%0.213SC..Hα-helixtrans-60.9-43.3176.500000112.4T98 C99 S100 H104 V105 L106T98-A102 WeakPolarHBondContact O-CB 3.09Å; T98-A102 PolarHBondContact O-N 3.5Å; C99-A102 PolarHBondContact O-N 2.99Å; S100-A102 PolarHBondContact O-N 3.34Å; A102-H104 VanDerWaalsContact C-N 3.33Å; A102-H104 PolarHBondContact O-N 3.36Å; A102-V105 PolarHBondContact O-N 2.7Å; A102-L106 WeakPolarHBondContact O-CG 3.45Å; A102-L106 PolarHBondContact O-N 3.47Å; A102-L106 VanDerWaalsContact O-N 3.1Å
103S97.7Very high96.7Very high11 Ų1135.8 Ų35.88%0.07721%0.214CC..Hα-helixtrans-69.7-31.2177.372.60000112.4C99 S100 F101 L106 A107 T133 N137C99-S103 PolarHBondContact O-N 2.9Å; C99-S103 PolarHBondContact O-OG 2.95Å; S100-S103 PolarHBondContact O-N 3.43Å; S100-S103 PolarHBondContact O-OG 3.32Å; F101-S103 PolarHBondContact O-N 2.88Å; S103-L106 PolarHBondContact O-N 2.84Å; S103-A107 PolarHBondContact O-N 2.63Å; S103-T133 WeakPolarHBondContact CB-O 3.46Å; S103-T133 PolarHBondContact OG-O 2.75Å; S103-N137 VanDerWaalsContact OG-CA 3.24Å; S103-N137 WeakPolarHBondContact OG-CA 3.41Å; S103-N137 VanDerWaalsContact OG-CB 3.31Å; S103-N137 WeakPolarHBondContact OG-CB 3.32Å; S103-N137 PolarHBondContact OG-N 2.91Å
104H97.8Very high96.4Very high3 Ų336 Ų361%0.01422%0.215CC..Hα-helixtrans-67.3-42.5172.5-143.2142.4000112T17 F21 S100 F101 A102 L106 A107 E108 N137 S189T17-H104 PolarHBondContact O-NE2 3.37Å; T17-H104 VanDerWaalsContact O-NE2 3.11Å; F21-H104 HydrophobicContact CD2-CB 4.27Å; F21-H104 PolarHBondContact N-CE1 2.94Å; F21-H104 VanDerWaalsContact N-CE1 3.25Å; F21-H104 PolarHBondContact N-NE2 3.31Å; S100-H104 PolarHBondContact O-N 2.96Å; F101-H104 PolarHBondContact O-N 3.35Å; A102-H104 VanDerWaalsContact C-N 3.33Å; A102-H104 PolarHBondContact O-N 3.36Å; H104-L106 VanDerWaalsContact C-N 3.27Å; H104-L106 PolarHBondContact O-N 2.86Å; H104-A107 WeakPolarHBondContact O-CB 3.19Å; H104-A107 PolarHBondContact O-N 3.46Å; H104-A107 VanDerWaalsContact O-N 3.16Å; H104-E108 PolarHBondContact O-N 2.65Å; H104-N137 WeakPolarHBondContact CB-ND2 3.22Å; H104-N137 PolarHBondContact ND1-ND2 3.48Å; H104-N137 VanDerWaalsContact ND1-ND2 3.19Å; H104-S189 PolarHBondContact CE1-OG 3.21Å; H104-S189 VanDerWaalsContact CE1-OG 3.27Å
105V98Very high96.1Very high61 Ų6138 Ų3837%0.3723%0.228SC..Hα-helixtrans-57.7-42.6173.8170.30000110.6F21 F101 A102 E108 S109F21-V105 HydrophobicContact CE2-CG2 3.67Å; F21-V105 HydrophobicContact CZ-CG2 4.34Å; F101-V105 HydrophobicContact CD1-CG2 4.21Å; F101-V105 HydrophobicContact CE1-CG2 3.81Å; F101-V105 HydrophobicContact CE2-CG2 4.48Å; F101-V105 HydrophobicContact CZ-CG2 3.94Å; F101-V105 WeakPolarHBondContact O-CG2 3.38Å; F101-V105 PolarHBondContact O-N 2.94Å; A102-V105 PolarHBondContact O-N 2.7Å; V105-E108 PolarHBondContact O-N 2.9Å; V105-S109 WeakPolarHBondContact O-CB 3.15Å; V105-S109 PolarHBondContact O-N 3.35Å
106L97.1Very high95.9Very high100 Ų10041.7 Ų41.752%0.52424%0.241SC..Hα-helixtrans-62.5-46.2175.3-68.6175.3000111.5A102 S103 H104 E108 S109 V110 T133A102-L106 WeakPolarHBondContact O-CG 3.45Å; A102-L106 PolarHBondContact O-N 3.47Å; A102-L106 VanDerWaalsContact O-N 3.1Å; S103-L106 PolarHBondContact O-N 2.84Å; H104-L106 VanDerWaalsContact C-N 3.27Å; H104-L106 PolarHBondContact O-N 2.86Å; L106-E108 PolarHBondContact O-N 3.38Å; L106-S109 PolarHBondContact O-N 3.38Å; L106-S109 PolarHBondContact O-OG 3.12Å; L106-V110 WeakPolarHBondContact O-CG2 3.38Å; L106-V110 PolarHBondContact O-N 2.61Å; L106-V110 VanDerWaalsContact O-N 3.11Å; L106-T133 HydrophobicContact CB-CG2 4.1Å
107A96.3Very high95.4Very high0 Ų041.2 Ų41.20%026%0.256CS..Hα-helixtrans-57.6-49176.500000112S103 H104 S109 V110 I111 T133 L134S103-A107 PolarHBondContact O-N 2.63Å; H104-A107 WeakPolarHBondContact O-CB 3.19Å; H104-A107 PolarHBondContact O-N 3.46Å; H104-A107 VanDerWaalsContact O-N 3.16Å; A107-S109 PolarHBondContact O-N 2.91Å; A107-V110 PolarHBondContact O-N 3.01Å; A107-I111 WeakPolarHBondContact O-CG1 3.12Å; A107-I111 PolarHBondContact O-N 3.36Å; A107-T133 WeakPolarHBondContact CB-OG1 3.34Å; A107-L134 HydrophobicContact CB-CD2 3.62Å; A107-L134 HydrophobicContact CB-CG 3.85Å
108E95.5Very high95Very high12 Ų1247.4 Ų47.46%0.05629%0.288CS..Hα-helixtrans-60-43.6177-78.7-59.5144.900111.9T17 T18 F21 H104 V105 L106 V110 I111 L112T17-E108 VanDerWaalsContact CB-OE1 3.27Å; T17-E108 WeakPolarHBondContact CB-OE1 3.4Å; T17-E108 WeakPolarHBondContact CG2-OE1 3.25Å; T17-E108 VanDerWaalsContact O-OE1 3.1Å; T18-E108 VanDerWaalsContact CA-OE1 3.25Å; T18-E108 WeakPolarHBondContact CA-OE1 3.07Å; T18-E108 PolarHBondContact N-OE1 2.72Å; F21-E108 HydrophobicContact CB-CG 3.77Å; F21-E108 HydrophobicContact CD1-CG 4.31Å; F21-E108 HydrophobicContact CD2-CG 3.94Å; F21-E108 HydrophobicContact CG-CG 3.73Å; H104-E108 PolarHBondContact O-N 2.65Å; V105-E108 PolarHBondContact O-N 2.9Å; L106-E108 PolarHBondContact O-N 3.38Å; E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.37Å; E108-I111 PolarHBondContact O-N 2.89Å; E108-L112 VanDerWaalsContact O-CB 3.32Å; E108-L112 WeakPolarHBondContact O-CB 3.33Å; E108-L112 VanDerWaalsContact O-CG 3.22Å; E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 3.41Å
109S95.9Very high94.5Very high53 Ų5347.6 Ų47.637%0.37129%0.29SS..Hα-helixtrans-59.3-41.217875.20000112V105 L106 A107 T113V105-S109 WeakPolarHBondContact O-CB 3.15Å; V105-S109 PolarHBondContact O-N 3.35Å; L106-S109 PolarHBondContact O-N 3.38Å; L106-S109 PolarHBondContact O-OG 3.12Å; A107-S109 PolarHBondContact O-N 2.91Å; S109-T113 WeakPolarHBondContact O-CG2 3.34Å; S109-T113 PolarHBondContact O-N 3.49Å; S109-T113 VanDerWaalsContact O-N 3.08Å
110V95Very high93.8Very high26 Ų2648 Ų4816%0.15829%0.293CS..Hα-helixtrans-68.4-46.2178.2178.70000110.5L106 A107 E108 L112 T113 Q114 A126 I130L106-V110 WeakPolarHBondContact O-CG2 3.38Å; L106-V110 PolarHBondContact O-N 2.61Å; L106-V110 VanDerWaalsContact O-N 3.11Å; A107-V110 PolarHBondContact O-N 3.01Å; E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.37Å; V110-L112 VanDerWaalsContact C-N 3.32Å; V110-L112 PolarHBondContact O-N 3.46Å; V110-T113 PolarHBondContact O-N 3.23Å; V110-T113 PolarHBondContact O-OG1 3.03Å; V110-Q114 PolarHBondContact O-N 3.43Å; V110-A126 HydrophobicContact CG1-CB 4.08Å; V110-I130 HydrophobicContact CB-CD1 4.45Å; V110-I130 HydrophobicContact CB-CG1 3.97Å; V110-I130 HydrophobicContact CG1-CD1 3.86Å; V110-I130 HydrophobicContact CG1-CG1 3.72Å
111I93Very high92.9Very high4 Ų450.7 Ų50.72%0.02131%0.307CS..Hα-helixtrans-62.7-41.4178.6-63.5172.5000110.7F10 F14 T17 A107 E108 T113 Q114 V115 I130F10-I111 HydrophobicContact CE2-CG2 4.28Å; F10-I111 HydrophobicContact CZ-CG2 4.24Å; F14-I111 HydrophobicContact CB-CG2 4.23Å; F14-I111 HydrophobicContact CD2-CG2 3.58Å; F14-I111 HydrophobicContact CE2-CG2 4.45Å; F14-I111 HydrophobicContact CG-CG2 4.35Å; T17-I111 HydrophobicContact CG2-CD1 3.73Å; T17-I111 WeakPolarHBondContact OG1-CD1 3.2Å; A107-I111 WeakPolarHBondContact O-CG1 3.12Å; A107-I111 PolarHBondContact O-N 3.36Å; E108-I111 PolarHBondContact O-N 2.89Å; I111-T113 VanDerWaalsContact C-N 3.31Å; I111-T113 PolarHBondContact O-N 2.96Å; I111-Q114 WeakPolarHBondContact O-CA 3.48Å; I111-Q114 WeakPolarHBondContact O-CB 3.49Å; I111-Q114 PolarHBondContact O-N 2.9Å; I111-V115 HydrophobicContact CG2-CG2 4.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.33Å; I111-V115 PolarHBondContact O-N 3.49Å; I111-I130 HydrophobicContact CD1-CD1 4.33Å; I111-I130 HydrophobicContact CD1-CG1 4.49Å; I111-I130 HydrophobicContact CD1-CG2 4Å; I111-I130 HydrophobicContact CG1-CD1 3.42Å; I111-I130 VanDerWaalsContact CG1-CD1 3.42Å; I111-I130 HydrophobicContact CG1-CG1 3.82Å; I111-I130 HydrophobicContact CG1-CG2 4.24Å
112L93.6Very high91.8Very high80 Ų8053.6 Ų53.642%0.41932%0.319SS..Hα-helixtrans-60.1-40176-74171000111.9F14 E108 V110 Q114 V115 L116F14-L112 HydrophobicContact CE2-CD2 4.26Å; E108-L112 VanDerWaalsContact O-CB 3.32Å; E108-L112 WeakPolarHBondContact O-CB 3.33Å; E108-L112 VanDerWaalsContact O-CG 3.22Å; E108-L112 WeakPolarHBondContact O-CG 3.4Å; E108-L112 PolarHBondContact O-N 3.41Å; V110-L112 VanDerWaalsContact C-N 3.32Å; V110-L112 PolarHBondContact O-N 3.46Å; L112-Q114 PolarHBondContact O-N 2.83Å; L112-V115 PolarHBondContact O-N 3.03Å; L112-L116 WeakPolarHBondContact O-CB 3.37Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.49Å
113T93.6Very high91Very high44 Ų4452.2 Ų52.227%0.2731%0.31SS..Hα-helixtrans-62.8-29.6173.664.50000112.9S109 V110 I111 G117 L118 V119S109-T113 WeakPolarHBondContact O-CG2 3.34Å; S109-T113 PolarHBondContact O-N 3.49Å; S109-T113 VanDerWaalsContact O-N 3.08Å; V110-T113 PolarHBondContact O-N 3.23Å; V110-T113 PolarHBondContact O-OG1 3.03Å; I111-T113 VanDerWaalsContact C-N 3.31Å; I111-T113 PolarHBondContact O-N 2.96Å; T113-G117 PolarHBondContact O-N 3.08Å; T113-L118 WeakPolarHBondContact O-CB 3.28Å; T113-L118 PolarHBondContact O-N 2.71Å; T113-V119 PolarHBondContact O-N 3.24Å; T113-V119 VanDerWaalsContact O-N 3.11Å; T113-V119 WeakPolarHBondContact OG1-CG2 3.47Å
114Q90.8Very high90.3Very high5 Ų555.6 Ų55.62%0.02333%0.334CS..Hα-helixtrans-75-41.1174.1-62.4179.2-57.300112.1F10 V110 I111 L112 L116 G117 V119 S120 I121 I130F10-Q114 HydrophobicContact CE2-CB 4.07Å; F10-Q114 HydrophobicContact CZ-CB 3.96Å; V110-Q114 PolarHBondContact O-N 3.43Å; I111-Q114 WeakPolarHBondContact O-CA 3.48Å; I111-Q114 WeakPolarHBondContact O-CB 3.49Å; I111-Q114 PolarHBondContact O-N 2.9Å; L112-Q114 PolarHBondContact O-N 2.83Å; Q114-L116 VanDerWaalsContact C-N 3.32Å; Q114-L116 PolarHBondContact O-N 2.88Å; Q114-G117 PolarHBondContact O-N 2.76Å; Q114-G117 VanDerWaalsContact O-N 3.15Å; Q114-V119 WeakPolarHBondContact CA-O 3.41Å; Q114-V119 HydrophobicContact CG-CB 4.13Å; Q114-V119 HydrophobicContact CG-CG1 4.13Å; Q114-S120 PolarHBondContact NE2-O 3.34Å; Q114-S120 VanDerWaalsContact NE2-O 3.11Å; Q114-I121 HydrophobicContact CB-CG1 4.35Å; Q114-I121 PolarHBondContact NE2-O 3.48Å; Q114-I130 VanDerWaalsContact OE1-CD1 3.26Å
115V91.4Very high89.8Confident54 Ų5466 Ų6633%0.32737%0.373SS..Hα-helixtrans-62.4-40.6175.4174.70000111.2F10 F14 I111 L112 G117F10-V115 HydrophobicContact CE1-CG2 3.94Å; F10-V115 HydrophobicContact CZ-CG2 3.76Å; F14-V115 HydrophobicContact CD2-CG2 4.02Å; F14-V115 HydrophobicContact CE2-CG2 4.13Å; F14-V115 HydrophobicContact CG-CG2 4.36Å; I111-V115 HydrophobicContact CG2-CG2 4.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.33Å; I111-V115 PolarHBondContact O-N 3.49Å; L112-V115 PolarHBondContact O-N 3.03Å; V115-G117 PolarHBondContact O-N 2.93Å
116L92.5Very high89.4Confident126 Ų12663.6 Ų63.666%0.6636%0.359SS*.THydrogen-bonded Turntrans-75.1-3.2177.4-65.8174.4000113.7L112 Q114 L118L112-L116 WeakPolarHBondContact O-CB 3.37Å; L112-L116 VanDerWaalsContact O-CG 3.28Å; L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.49Å; Q114-L116 VanDerWaalsContact C-N 3.32Å; Q114-L116 PolarHBondContact O-N 2.88Å; L116-L118 VanDerWaalsContact C-N 3.26Å; L116-L118 HydrophobicContact CB-CD1 4.44Å; L116-L118 HydrophobicContact CB-CG 4.18Å; L116-L118 PolarHBondContact O-N 3.45Å
117G87.7Confident89.1Confident63 Ų6359.4 Ų59.465%0.64934%0.338SS*.THydrogen-bonded Turntrans73.411.1-179.700000115T113 Q114 V115 V119T113-G117 PolarHBondContact O-N 3.08Å; Q114-G117 PolarHBondContact O-N 2.76Å; Q114-G117 VanDerWaalsContact O-N 3.15Å; V115-G117 PolarHBondContact O-N 2.93Å; G117-V119 VanDerWaalsContact C-N 3.35Å
118L89.3Confident88.8Confident132 Ų13263.4 Ų63.469%0.69136%0.359SS*.SBendtrans-74.7-28.7175.8-59.6178.3000111.9T113 L116T113-L118 WeakPolarHBondContact O-CB 3.28Å; T113-L118 PolarHBondContact O-N 2.71Å; L116-L118 VanDerWaalsContact C-N 3.26Å; L116-L118 HydrophobicContact CB-CD1 4.44Å; L116-L118 HydrophobicContact CB-CG 4.18Å; L116-L118 PolarHBondContact O-N 3.45Å
119V87.2Confident88.7Confident57 Ų5765.4 Ų65.435%0.34537%0.374SS..SBendtrans-127.9142.4177.9177.70000109T113 Q114 G117 I121 A126T113-V119 PolarHBondContact O-N 3.24Å; T113-V119 VanDerWaalsContact O-N 3.11Å; T113-V119 WeakPolarHBondContact OG1-CG2 3.47Å; Q114-V119 WeakPolarHBondContact CA-O 3.41Å; Q114-V119 HydrophobicContact CG-CB 4.13Å; Q114-V119 HydrophobicContact CG-CG1 4.13Å; G117-V119 VanDerWaalsContact C-N 3.35Å; V119-I121 PolarHBondContact O-N 3.49Å; V119-A126 HydrophobicContact CG1-CB 3.78Å
120S84.4Confident88.6Confident76 Ų7663.1 Ų63.153%0.53136%0.357SS..  trans-61.6131.5176.2178.50000111.4Q114 F122 G123Q114-S120 PolarHBondContact NE2-O 3.34Å; Q114-S120 VanDerWaalsContact NE2-O 3.11Å; S120-F122 PolarHBondContact O-N 2.87Å; S120-F122 VanDerWaalsContact O-N 3.16Å; S120-F122 PolarHBondContact OG-N 3.34Å; S120-G123 PolarHBondContact O-N 3.3Å
121I79.7Confident88.5Confident61 Ų6163.5 Ų63.531%0.31336%0.358SS..THydrogen-bonded Turntrans-55.5-31.6174.3-62.6170.1000111.3F10 Q114 V119F10-I121 HydrophobicContact CB-CG2 3.96Å; F10-I121 HydrophobicContact CD1-CD1 4.44Å; F10-I121 HydrophobicContact CD1-CG2 4.12Å; F10-I121 HydrophobicContact CD2-CG2 3.5Å; F10-I121 VanDerWaalsContact CD2-CG2 3.5Å; F10-I121 HydrophobicContact CE1-CD1 4.37Å; F10-I121 HydrophobicContact CE1-CG1 4.43Å; F10-I121 HydrophobicContact CE2-CG2 3.95Å; F10-I121 HydrophobicContact CG-CG2 3.57Å; F10-I121 HydrophobicContact CZ-CG1 4.36Å; F10-I121 HydrophobicContact CZ-CG2 4.44Å; Q114-I121 HydrophobicContact CB-CG1 4.35Å; Q114-I121 PolarHBondContact NE2-O 3.48Å; V119-I121 PolarHBondContact O-N 3.49Å
122F74Confident88.7Confident107 Ų10767.1 Ų67.147%0.46938%0.38SS..THydrogen-bonded Turntrans-102.513.8-179.5-53.3-56.4000113.5K6 S120 S124K6-F122 HydrophobicContact CB-CE1 3.5Å; K6-F122 VanDerWaalsContact CB-CE1 3.5Å; K6-F122 HydrophobicContact CB-CZ 3.61Å; K6-F122 HydrophobicContact CD-CD1 4.22Å; K6-F122 HydrophobicContact CD-CE1 3.88Å; K6-F122 HydrophobicContact CD-CZ 4.19Å; K6-F122 HydrophobicContact CG-CE1 4.18Å; S120-F122 PolarHBondContact O-N 2.87Å; S120-F122 VanDerWaalsContact O-N 3.16Å; S120-F122 PolarHBondContact OG-N 3.34Å; F122-S124 PolarHBondContact O-N 3.46Å; F122-S124 VanDerWaalsContact O-N 3.09Å
123G80.5Confident88.8Confident22 Ų2264.1 Ų64.123%0.22737%0.365CS..  trans-63111174.700000110.5S120 R125 A126 V127S120-G123 PolarHBondContact O-N 3.3Å; G123-R125 PolarHBondContact O-N 3Å; G123-R125 VanDerWaalsContact O-N 3.16Å; G123-A126 WeakPolarHBondContact O-CB 3.41Å; G123-A126 PolarHBondContact O-N 2.88Å; G123-V127 PolarHBondContact O-N 3.21Å
124S83.3Confident89Confident81 Ų8162 Ų6257%0.56635%0.352SS*.Hα-helixtrans-53.2-39.2-178.255.20000112.7F122 L128F122-S124 PolarHBondContact O-N 3.46Å; F122-S124 VanDerWaalsContact O-N 3.09Å; S124-L128 VanDerWaalsContact O-CB 3.23Å; S124-L128 WeakPolarHBondContact O-CB 3.38Å; S124-L128 PolarHBondContact O-N 3.5Å
125R87.9Confident89.3Confident221 Ų22164.4 Ų64.483%0.83437%0.369SS*.Hα-helixtrans-65.9-40.6176.1-65.5-176.7-179.6174.30113.1G123 C129G123-R125 PolarHBondContact O-N 3Å; G123-R125 VanDerWaalsContact O-N 3.16Å; R125-C129 WeakPolarHBondContact O-CB 3.47Å; R125-C129 PolarHBondContact O-N 3.27Å
126A89.3Confident89.6Confident11 Ų1165.2 Ų65.29%0.09137%0.374CS..Hα-helixtrans-67.9-46.2179.500000110.6V110 V119 G123 L128 C129 I130V110-A126 HydrophobicContact CG1-CB 4.08Å; V119-A126 HydrophobicContact CG1-CB 3.78Å; G123-A126 WeakPolarHBondContact O-CB 3.41Å; G123-A126 PolarHBondContact O-N 2.88Å; A126-L128 PolarHBondContact O-N 3.44Å; A126-C129 WeakPolarHBondContact O-CB 3.45Å; A126-C129 PolarHBondContact O-N 3.35Å; A126-I130 WeakPolarHBondContact O-CD1 3.44Å; A126-I130 WeakPolarHBondContact O-CG1 3.28Å; A126-I130 PolarHBondContact O-N 2.92Å
127V89.1Confident89.8Confident12 Ų1259.2 Ų59.27%0.07334%0.343CS..Hα-helixtrans-61.6-44.4175.6177.40000111.3G123 C129 I130 M131 L196 V200G123-V127 PolarHBondContact O-N 3.21Å; V127-C129 VanDerWaalsContact C-N 3.32Å; V127-C129 PolarHBondContact O-N 3.5Å; V127-I130 PolarHBondContact O-N 2.91Å; V127-M131 HydrophobicContact CG1-CG 4.38Å; V127-M131 HydrophobicContact CG1-SD 4.14Å; V127-M131 WeakPolarHBondContact O-CG 3.4Å; V127-M131 PolarHBondContact O-N 3.23Å; V127-L196 HydrophobicContact CG1-CD2 4.27Å; V127-V200 HydrophobicContact CB-CG1 4.46Å; V127-V200 HydrophobicContact CG1-CB 4.22Å; V127-V200 HydrophobicContact CG1-CG1 3.87Å; V127-V200 HydrophobicContact CG1-CG2 4.47Å; V127-V200 HydrophobicContact CG2-CG1 4.32Å
128L90.7Very high90.3Very high85 Ų8557 Ų5745%0.44532%0.317SS..Hα-helixtrans-60.8-42.2176.3-178.863.9000111.5S124 A126 M131 V132S124-L128 VanDerWaalsContact O-CB 3.23Å; S124-L128 WeakPolarHBondContact O-CB 3.38Å; S124-L128 PolarHBondContact O-N 3.5Å; A126-L128 PolarHBondContact O-N 3.44Å; L128-M131 PolarHBondContact O-N 3.18Å; L128-V132 HydrophobicContact CD1-CG2 4.24Å; L128-V132 HydrophobicContact CG-CG2 4.46Å; L128-V132 WeakPolarHBondContact O-CB 3.45Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.44Å; L128-V132 PolarHBondContact O-N 2.96Å
129C93.5Very high90.8Very high54 Ų5456.9 Ų56.937%0.36531%0.311SS..Hα-helixtrans-59.4-47.8175.6-171.40000111.5R125 A126 V127 M131 V132 T133R125-C129 WeakPolarHBondContact O-CB 3.47Å; R125-C129 PolarHBondContact O-N 3.27Å; A126-C129 WeakPolarHBondContact O-CB 3.45Å; A126-C129 PolarHBondContact O-N 3.35Å; V127-C129 VanDerWaalsContact C-N 3.32Å; V127-C129 PolarHBondContact O-N 3.5Å; C129-M131 PolarHBondContact O-N 3.45Å; C129-V132 PolarHBondContact O-N 2.92Å; C129-T133 WeakPolarHBondContact O-CB 3.25Å; C129-T133 VanDerWaalsContact O-CG2 3.28Å; C129-T133 WeakPolarHBondContact O-CG2 3.37Å; C129-T133 PolarHBondContact O-N 2.94Å; C129-T133 PolarHBondContact O-OG1 3.45Å
130I94Very high91.3Very high4 Ų454.5 Ų54.52%0.02130%0.297CS..Hα-helixtrans-59.2-47.4175.9-65.5158.6000110.7V110 I111 Q114 A126 V127 V132 T133 L134 L196V110-I130 HydrophobicContact CB-CD1 4.45Å; V110-I130 HydrophobicContact CB-CG1 3.97Å; V110-I130 HydrophobicContact CG1-CD1 3.86Å; V110-I130 HydrophobicContact CG1-CG1 3.72Å; I111-I130 HydrophobicContact CD1-CD1 4.33Å; I111-I130 HydrophobicContact CD1-CG1 4.49Å; I111-I130 HydrophobicContact CD1-CG2 4Å; I111-I130 HydrophobicContact CG1-CD1 3.42Å; I111-I130 VanDerWaalsContact CG1-CD1 3.42Å; I111-I130 HydrophobicContact CG1-CG1 3.82Å; I111-I130 HydrophobicContact CG1-CG2 4.24Å; Q114-I130 VanDerWaalsContact OE1-CD1 3.26Å; A126-I130 WeakPolarHBondContact O-CD1 3.44Å; A126-I130 WeakPolarHBondContact O-CG1 3.28Å; A126-I130 PolarHBondContact O-N 2.92Å; V127-I130 PolarHBondContact O-N 2.91Å; I130-V132 PolarHBondContact O-N 3.44Å; I130-T133 WeakPolarHBondContact CA-OG1 3.37Å; I130-T133 PolarHBondContact O-N 2.94Å; I130-T133 PolarHBondContact O-OG1 2.63Å; I130-L134 HydrophobicContact CG2-CD1 3.67Å; I130-L134 HydrophobicContact CG2-CG 4.19Å; I130-L134 VanDerWaalsContact O-CB 3.29Å; I130-L134 WeakPolarHBondContact O-CB 3.41Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.27Å; I130-L134 PolarHBondContact O-N 2.99Å; I130-L196 HydrophobicContact CB-CD1 4.43Å; I130-L196 HydrophobicContact CG2-CD1 3.64Å
131M93.7Very high91.9Very high34 Ų3450.9 Ų50.917%0.16727%0.272CS..Hα-helixtrans-60.2-44.4178.7-73.6179.265.800112.5V127 L128 C129 S135 L196V127-M131 HydrophobicContact CG1-CG 4.38Å; V127-M131 HydrophobicContact CG1-SD 4.14Å; V127-M131 WeakPolarHBondContact O-CG 3.4Å; V127-M131 PolarHBondContact O-N 3.23Å; L128-M131 PolarHBondContact O-N 3.18Å; C129-M131 PolarHBondContact O-N 3.45Å; M131-S135 VanDerWaalsContact O-CB 3.29Å; M131-S135 WeakPolarHBondContact O-CB 3.22Å; M131-S135 PolarHBondContact O-N 3.3Å; M131-S135 PolarHBondContact O-OG 2.84Å; M131-L196 HydrophobicContact CG-CB 3.75Å; M131-L196 HydrophobicContact CG-CD1 4.03Å; M131-L196 HydrophobicContact SD-CB 4.09Å
132V95.6Very high92.8Very high80 Ų8051.9 Ų51.949%0.48528%0.277SS..Hα-helixtrans-66.3-50179.6170.60000110.6L128 C129 I130 L134 S135 V136L128-V132 HydrophobicContact CD1-CG2 4.24Å; L128-V132 HydrophobicContact CG-CG2 4.46Å; L128-V132 WeakPolarHBondContact O-CB 3.45Å; L128-V132 VanDerWaalsContact O-CG2 3.3Å; L128-V132 WeakPolarHBondContact O-CG2 3.44Å; L128-V132 PolarHBondContact O-N 2.96Å; C129-V132 PolarHBondContact O-N 2.92Å; I130-V132 PolarHBondContact O-N 3.44Å; V132-L134 PolarHBondContact O-N 3.42Å; V132-S135 PolarHBondContact O-N 3.45Å; V132-S135 VanDerWaalsContact O-N 3.16Å; V132-V136 WeakPolarHBondContact O-CG2 3.17Å; V132-V136 PolarHBondContact O-N 2.68Å
133T97Very high94Very high17 Ų1748.3 Ų48.310%0.10426%0.264CS..Hα-helixtrans-62.2-40-179.9520000112.6S103 L106 A107 C129 I130 V136 N137S103-T133 WeakPolarHBondContact CB-O 3.46Å; S103-T133 PolarHBondContact OG-O 2.75Å; L106-T133 HydrophobicContact CB-CG2 4.1Å; A107-T133 WeakPolarHBondContact CB-OG1 3.34Å; C129-T133 WeakPolarHBondContact O-CB 3.25Å; C129-T133 VanDerWaalsContact O-CG2 3.28Å; C129-T133 WeakPolarHBondContact O-CG2 3.37Å; C129-T133 PolarHBondContact O-N 2.94Å; C129-T133 PolarHBondContact O-OG1 3.45Å; I130-T133 WeakPolarHBondContact CA-OG1 3.37Å; I130-T133 PolarHBondContact O-N 2.94Å; I130-T133 PolarHBondContact O-OG1 2.63Å; T133-V136 PolarHBondContact O-N 3.47Å; T133-N137 WeakPolarHBondContact O-CB 2.96Å; T133-N137 PolarHBondContact O-N 3.22Å
134L97.2Very high94.8Very high0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-71-32.6173.5-68.5179.6000112.9T17 A107 I130 V132 N137 C138 T192 V193T17-L134 HydrophobicContact CG2-CD1 4.09Å; T17-L134 HydrophobicContact CG2-CD2 3.84Å; A107-L134 HydrophobicContact CB-CD2 3.62Å; A107-L134 HydrophobicContact CB-CG 3.85Å; I130-L134 HydrophobicContact CG2-CD1 3.67Å; I130-L134 HydrophobicContact CG2-CG 4.19Å; I130-L134 VanDerWaalsContact O-CB 3.29Å; I130-L134 WeakPolarHBondContact O-CB 3.41Å; I130-L134 VanDerWaalsContact O-CG 3.28Å; I130-L134 WeakPolarHBondContact O-CG 3.27Å; I130-L134 PolarHBondContact O-N 2.99Å; V132-L134 PolarHBondContact O-N 3.42Å; L134-N137 WeakPolarHBondContact O-CB 3.43Å; L134-N137 PolarHBondContact O-N 3.18Å; L134-C138 PolarHBondContact O-N 3.48Å; L134-C138 PolarHBondContact O-SG 2.96Å; L134-T192 HydrophobicContact CD1-CG2 3.59Å; L134-V193 HydrophobicContact CB-CG2 3.46Å; L134-V193 VanDerWaalsContact CB-CG2 3.46Å; L134-V193 HydrophobicContact CD1-CG2 4.36Å
135S96.5Very high95.5Very high56 Ų5644 Ų4439%0.39223%0.229SC..Hα-helixtrans-65.8-41.7173.4-60.50000111.3M131 V132 N137 C138 F139M131-S135 VanDerWaalsContact O-CB 3.29Å; M131-S135 WeakPolarHBondContact O-CB 3.22Å; M131-S135 PolarHBondContact O-N 3.3Å; M131-S135 PolarHBondContact O-OG 2.84Å; V132-S135 PolarHBondContact O-N 3.45Å; V132-S135 VanDerWaalsContact O-N 3.16Å; S135-N137 VanDerWaalsContact C-N 3.33Å; S135-C138 PolarHBondContact O-N 3.27Å; S135-F139 WeakPolarHBondContact O-CB 3.48Å; S135-F139 PolarHBondContact O-N 2.74Å
136V97.9Very high95.9Very high70 Ų7037.7 Ų37.742%0.42421%0.211SC..Hα-helixtrans-63.2-39.8172.5173.50000111V132 T133 S140V132-V136 WeakPolarHBondContact O-CG2 3.17Å; V132-V136 PolarHBondContact O-N 2.68Å; T133-V136 PolarHBondContact O-N 3.47Å; V136-S140 VanDerWaalsContact O-CB 3.25Å; V136-S140 WeakPolarHBondContact O-CB 3.43Å; V136-S140 PolarHBondContact O-N 3.28Å; V136-S140 PolarHBondContact O-OG 3.31Å
137N98.2Very high96.3Very high1 Ų138.6 Ų38.61%0.00522%0.216CC..Hα-helixtrans-59.6-50.4173.3172.8-94000111.1S100 S103 H104 T133 L134 S135 F139 S140 T141 S189S100-N137 PolarHBondContact O-ND2 3.47Å; S100-N137 PolarHBondContact OG-ND2 3.13Å; S103-N137 VanDerWaalsContact OG-CA 3.24Å; S103-N137 WeakPolarHBondContact OG-CA 3.41Å; S103-N137 VanDerWaalsContact OG-CB 3.31Å; S103-N137 WeakPolarHBondContact OG-CB 3.32Å; S103-N137 PolarHBondContact OG-N 2.91Å; H104-N137 WeakPolarHBondContact CB-ND2 3.22Å; H104-N137 PolarHBondContact ND1-ND2 3.48Å; H104-N137 VanDerWaalsContact ND1-ND2 3.19Å; T133-N137 WeakPolarHBondContact O-CB 2.96Å; T133-N137 PolarHBondContact O-N 3.22Å; L134-N137 WeakPolarHBondContact O-CB 3.43Å; L134-N137 PolarHBondContact O-N 3.18Å; S135-N137 VanDerWaalsContact C-N 3.33Å; N137-F139 PolarHBondContact O-N 3.46Å; N137-S140 PolarHBondContact O-N 3.22Å; N137-T141 VanDerWaalsContact O-CB 3.3Å; N137-T141 WeakPolarHBondContact O-CB 3.47Å; N137-T141 PolarHBondContact O-N 3Å; N137-T141 PolarHBondContact O-OG1 3.14Å; N137-S189 VanDerWaalsContact OD1-CB 3.3Å; N137-S189 WeakPolarHBondContact OD1-CB 3.1Å; N137-S189 PolarHBondContact OD1-OG 3.05Å
138C98.1Very high96.6Very high17 Ų1738 Ų3812%0.11521%0.212CC..Hα-helixtrans-59.7-48.2179.7-69.30000111.5L134 S135 L142 L186 S189L134-C138 PolarHBondContact O-N 3.48Å; L134-C138 PolarHBondContact O-SG 2.96Å; S135-C138 PolarHBondContact O-N 3.27Å; C138-L142 VanDerWaalsContact O-CB 3.24Å; C138-L142 WeakPolarHBondContact O-CB 3.06Å; C138-L142 PolarHBondContact O-N 3.44Å; C138-L186 HydrophobicContact CB-CD1 3.84Å; C138-L186 WeakPolarHBondContact O-CD1 3.46Å; C138-S189 WeakPolarHBondContact SG-CB 3.38Å
139F98.2Very high96.8Very high129 Ų12935 Ų3557%0.56620%0.202SC*.Hα-helixtrans-60.5-50.6178.4177.6-101000111.6S135 N137 T141 L142 V143S135-F139 WeakPolarHBondContact O-CB 3.48Å; S135-F139 PolarHBondContact O-N 2.74Å; N137-F139 PolarHBondContact O-N 3.46Å; F139-T141 PolarHBondContact O-N 3.01Å; F139-L142 PolarHBondContact O-N 3.48Å; F139-V143 HydrophobicContact CD1-CG2 4.41Å; F139-V143 HydrophobicContact CD2-CG2 4.46Å; F139-V143 HydrophobicContact CE1-CG2 4.02Å; F139-V143 HydrophobicContact CE2-CG2 4.07Å; F139-V143 HydrophobicContact CZ-CG2 3.83Å; F139-V143 WeakPolarHBondContact O-CG2 3.43Å; F139-V143 PolarHBondContact O-N 2.8Å
140S98.2Very high96.8Very high7 Ų736.3 Ų36.35%0.04921%0.208CC..Hα-helixtrans-67.3-38.8-176.4-52.60000111.7F96 V136 N137 V143 S144F96-S140 VanDerWaalsContact O-CB 3.3Å; F96-S140 WeakPolarHBondContact O-CB 3.49Å; V136-S140 VanDerWaalsContact O-CB 3.25Å; V136-S140 WeakPolarHBondContact O-CB 3.43Å; V136-S140 PolarHBondContact O-N 3.28Å; V136-S140 PolarHBondContact O-OG 3.31Å; N137-S140 PolarHBondContact O-N 3.22Å; S140-V143 PolarHBondContact O-N 2.81Å; S140-S144 WeakPolarHBondContact O-CB 3.29Å; S140-S144 PolarHBondContact O-N 3.49Å; S140-S144 PolarHBondContact O-OG 3.44Å
141T98Very high96.8Very high0 Ų036.2 Ų36.20%021%0.208CC..Hα-helixtrans-63.7-45.8173.8-51.20000110.9F97 S100 N137 F139 V143 S144 L145 L186F97-T141 HydrophobicContact CD2-CG2 4.44Å; F97-T141 HydrophobicContact CE2-CG2 4.09Å; S100-T141 WeakPolarHBondContact CB-OG1 3.26Å; S100-T141 PolarHBondContact OG-OG1 2.87Å; N137-T141 VanDerWaalsContact O-CB 3.3Å; N137-T141 WeakPolarHBondContact O-CB 3.47Å; N137-T141 PolarHBondContact O-N 3Å; N137-T141 PolarHBondContact O-OG1 3.14Å; F139-T141 PolarHBondContact O-N 3.01Å; T141-V143 VanDerWaalsContact C-N 3.35Å; T141-V143 PolarHBondContact O-N 3.44Å; T141-S144 WeakPolarHBondContact CA-OG 3.3Å; T141-S144 PolarHBondContact O-N 2.9Å; T141-S144 PolarHBondContact O-OG 3.15Å; T141-L145 HydrophobicContact CG2-CD1 4.14Å; T141-L145 HydrophobicContact CG2-CG 4.39Å; T141-L145 WeakPolarHBondContact O-CG 3.38Å; T141-L145 PolarHBondContact O-N 3.15Å; T141-L186 HydrophobicContact CG2-CB 3.86Å
142L98.2Very high96.6Very high82 Ų8235 Ų3543%0.42920%0.202SC..Hα-helixtrans-59.3-46.3178.2-179.762.9000111.5C138 F139 S144 L145 I146 L186C138-L142 VanDerWaalsContact O-CB 3.24Å; C138-L142 WeakPolarHBondContact O-CB 3.06Å; C138-L142 PolarHBondContact O-N 3.44Å; F139-L142 PolarHBondContact O-N 3.48Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.94Å; L142-L145 PolarHBondContact O-N 3.3Å; L142-I146 HydrophobicContact CD1-CD1 3.94Å; L142-I146 HydrophobicContact CD1-CG1 4.31Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 2.92Å; L142-L186 HydrophobicContact CB-CD2 4.22Å; L142-L186 HydrophobicContact CD1-CD2 4.13Å
143V98.2Very high96.4Very high31 Ų3134 Ų3419%0.18820%0.195CC..Hα-helixtrans-61.4-41.8176.61750000111.2F96 F139 S140 T141 I146 T147F96-V143 HydrophobicContact CB-CG1 4.36Å; F96-V143 HydrophobicContact CD1-CB 4.22Å; F96-V143 HydrophobicContact CD1-CG1 4Å; F96-V143 HydrophobicContact CD2-CB 4.39Å; F96-V143 HydrophobicContact CD2-CG1 3.45Å; F96-V143 VanDerWaalsContact CD2-CG1 3.45Å; F96-V143 HydrophobicContact CE1-CG1 4.13Å; F96-V143 HydrophobicContact CE2-CG1 3.62Å; F96-V143 HydrophobicContact CG-CB 4.13Å; F96-V143 HydrophobicContact CG-CG1 3.67Å; F96-V143 HydrophobicContact CZ-CG1 3.96Å; F139-V143 HydrophobicContact CD1-CG2 4.41Å; F139-V143 HydrophobicContact CD2-CG2 4.46Å; F139-V143 HydrophobicContact CE1-CG2 4.02Å; F139-V143 HydrophobicContact CE2-CG2 4.07Å; F139-V143 HydrophobicContact CZ-CG2 3.83Å; F139-V143 WeakPolarHBondContact O-CG2 3.43Å; F139-V143 PolarHBondContact O-N 2.8Å; S140-V143 PolarHBondContact O-N 2.81Å; T141-V143 VanDerWaalsContact C-N 3.35Å; T141-V143 PolarHBondContact O-N 3.44Å; V143-I146 PolarHBondContact O-N 3.12Å; V143-T147 HydrophobicContact CG1-CG2 4.17Å; V143-T147 WeakPolarHBondContact O-CB 3.35Å; V143-T147 VanDerWaalsContact O-CG2 3.3Å; V143-T147 WeakPolarHBondContact O-CG2 3.41Å; V143-T147 PolarHBondContact O-N 2.92Å; V143-T147 PolarHBondContact O-OG1 2.9Å
144S97.6Very high96Very high0 Ų036.2 Ų36.20%021%0.208CC..Hα-helixtrans-63.4-41.517772.10000113C93 F97 S140 T141 L142 T147 M148C93-S144 PolarHBondContact SG-O 2.89Å; F97-S144 WeakPolarHBondContact CD2-OG 3.47Å; S140-S144 WeakPolarHBondContact O-CB 3.29Å; S140-S144 PolarHBondContact O-N 3.49Å; S140-S144 PolarHBondContact O-OG 3.44Å; T141-S144 WeakPolarHBondContact CA-OG 3.3Å; T141-S144 PolarHBondContact O-N 2.9Å; T141-S144 PolarHBondContact O-OG 3.15Å; L142-S144 VanDerWaalsContact C-N 3.33Å; L142-S144 PolarHBondContact O-N 2.94Å; S144-T147 WeakPolarHBondContact CA-OG1 3.3Å; S144-T147 PolarHBondContact O-N 2.04Å; S144-T147 PolarHBondContact O-OG1 3.23Å; S144-M148 WeakPolarHBondContact O-CB 3.45Å; S144-M148 PolarHBondContact O-N 2.73Å
145L97.8Very high95.6Very high12 Ų1236.8 Ų36.86%0.06321%0.21CC..Hα-helixtrans-65.2-45177.5-69.4172.4000110.7W33 T141 L142 G149 Y179 A182 A183 L186W33-L145 HydrophobicContact CZ3-CD2 4.39Å; T141-L145 HydrophobicContact CG2-CD1 4.14Å; T141-L145 HydrophobicContact CG2-CG 4.39Å; T141-L145 WeakPolarHBondContact O-CG 3.38Å; T141-L145 PolarHBondContact O-N 3.15Å; L142-L145 PolarHBondContact O-N 3.3Å; L145-G149 PolarHBondContact O-N 2.89Å; L145-Y179 HydrophobicContact CB-CE2 4.18Å; L145-Y179 HydrophobicContact CD2-CD2 3.71Å; L145-Y179 HydrophobicContact CD2-CE1 4.33Å; L145-Y179 HydrophobicContact CD2-CE2 3.43Å; L145-Y179 VanDerWaalsContact CD2-CE2 3.43Å; L145-Y179 HydrophobicContact CD2-CG 4.28Å; L145-Y179 HydrophobicContact CG-CE2 4.42Å; L145-Y179 PolarHBondContact O-OH 2.88Å; L145-Y179 VanDerWaalsContact O-OH 3.14Å; L145-A182 HydrophobicContact CD2-CB 3.81Å; L145-A183 HydrophobicContact CD1-CB 4.12Å; L145-L186 HydrophobicContact CD1-CD2 3.93Å
146I97.9Very high95.1Very high89 Ų8936.3 Ų36.346%0.45620%0.202SC..Hα-helixtrans-62.7-48.5177.4-67.5168.3000110.7L142 V143 M148 G149 V150L142-I146 HydrophobicContact CD1-CD1 3.94Å; L142-I146 HydrophobicContact CD1-CG1 4.31Å; L142-I146 HydrophobicContact CG-CD1 3.83Å; L142-I146 VanDerWaalsContact O-CG1 3.26Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 2.92Å; V143-I146 PolarHBondContact O-N 3.12Å; I146-M148 PolarHBondContact O-N 3.38Å; I146-G149 PolarHBondContact O-N 3.28Å; I146-V150 HydrophobicContact CG2-CG2 3.99Å; I146-V150 VanDerWaalsContact O-CB 3.29Å; I146-V150 WeakPolarHBondContact O-CB 3.4Å; I146-V150 VanDerWaalsContact O-CG2 3.3Å; I146-V150 WeakPolarHBondContact O-CG2 3.36Å; I146-V150 PolarHBondContact O-N 2.85Å
147T96.7Very high94.5Very high30 Ų3038.5 Ų38.518%0.18421%0.206CC..Hα-helixtrans-62.8-40.2-178.847.60000112.1A92 C93 V143 S144 G151A92-T147 HydrophobicContact CB-CG2 4.24Å; C93-T147 WeakPolarHBondContact CA-OG1 3.39Å; V143-T147 HydrophobicContact CG1-CG2 4.17Å; V143-T147 WeakPolarHBondContact O-CB 3.35Å; V143-T147 VanDerWaalsContact O-CG2 3.3Å; V143-T147 WeakPolarHBondContact O-CG2 3.41Å; V143-T147 PolarHBondContact O-N 2.92Å; V143-T147 PolarHBondContact O-OG1 2.9Å; S144-T147 WeakPolarHBondContact CA-OG1 3.3Å; S144-T147 PolarHBondContact O-N 2.04Å; S144-T147 PolarHBondContact O-OG1 3.23Å; T147-G151 WeakPolarHBondContact O-CA 3.42Å; T147-G151 PolarHBondContact O-N 3.35Å
148M95Very high93.8Very high0 Ų041.8 Ų41.80%022%0.223CC..Hα-helixtrans-64.6-49.8173.2-169.380.9-172.400111.8W33 W89 F90 S144 I146 G151 I152 L175 Y179W33-M148 HydrophobicContact CB-CE 4.11Å; W33-M148 HydrophobicContact CE3-CG 4.08Å; W33-M148 HydrophobicContact CE3-SD 4.2Å; W89-M148 HydrophobicContact CZ3-CE 4.28Å; W89-M148 HydrophobicContact CZ3-SD 3.72Å; F90-M148 HydrophobicContact CD2-SD 4.09Å; F90-M148 HydrophobicContact CE2-CE 4.48Å; F90-M148 HydrophobicContact CE2-SD 4.33Å; S144-M148 WeakPolarHBondContact O-CB 3.45Å; S144-M148 PolarHBondContact O-N 2.73Å; I146-M148 PolarHBondContact O-N 3.38Å; M148-G151 PolarHBondContact O-N 2.97Å; M148-I152 HydrophobicContact CE-CD1 3.72Å; M148-I152 HydrophobicContact CE-CG1 4.46Å; M148-I152 HydrophobicContact CG-CD1 4.03Å; M148-I152 WeakPolarHBondContact O-CG1 3.29Å; M148-I152 PolarHBondContact O-N 3.19Å; M148-L175 HydrophobicContact CG-CD2 4.01Å; M148-Y179 HydrophobicContact CB-CD2 4.36Å; M148-Y179 HydrophobicContact CB-CE2 4.02Å; M148-Y179 HydrophobicContact CG-CD2 4.14Å; M148-Y179 HydrophobicContact CG-CE2 4.21Å
149G94.6Very high93Very high22 Ų2243 Ų4323%0.22723%0.227CC..Hα-helixtrans-64.1-48.4-176.900000112.8L145 I146 D153L145-G149 PolarHBondContact O-N 2.89Å; I146-G149 PolarHBondContact O-N 3.28Å; G149-D153 WeakPolarHBondContact O-CB 3.41Å; G149-D153 PolarHBondContact O-N 2.96Å; G149-D153 VanDerWaalsContact O-N 3.14Å
150V95.2Very high92Very high81 Ų8145.8 Ų45.849%0.49123%0.233SC..Hα-helixtrans-67.9-37.9177.1175.20000111.1I146 D153 T154I146-V150 HydrophobicContact CG2-CG2 3.99Å; I146-V150 VanDerWaalsContact O-CB 3.29Å; I146-V150 WeakPolarHBondContact O-CB 3.4Å; I146-V150 VanDerWaalsContact O-CG2 3.3Å; I146-V150 WeakPolarHBondContact O-CG2 3.36Å; I146-V150 PolarHBondContact O-N 2.85Å; V150-D153 PolarHBondContact O-N 3.47Å; V150-T154 VanDerWaalsContact O-CB 3.31Å; V150-T154 WeakPolarHBondContact O-CB 3.49Å; V150-T154 PolarHBondContact O-N 3.48Å; V150-T154 PolarHBondContact O-OG1 2.83Å
151G92.7Very high91Very high3 Ų349.7 Ų49.73%0.03127%0.266CS..Hα-helixtrans-59-50.8177.400000112.4T147 M148 T154 E155T147-G151 WeakPolarHBondContact O-CA 3.42Å; T147-G151 PolarHBondContact O-N 3.35Å; M148-G151 PolarHBondContact O-N 2.97Å; G151-T154 PolarHBondContact O-N 3.42Å; G151-E155 WeakPolarHBondContact O-CG 3.4Å; G151-E155 PolarHBondContact O-N 2.9Å
152I90.7Very high89.7Confident8 Ų852.4 Ų52.44%0.04129%0.289CS..Hα-helixtrans-63.7-45177.5-68161.7000111.5Y34 W89 M148 T154 E155 Q156 W166 L175Y34-I152 HydrophobicContact CD2-CD1 3.5Å; Y34-I152 HydrophobicContact CD2-CG1 4.31Å; Y34-I152 HydrophobicContact CE2-CD1 3.84Å; Y34-I152 HydrophobicContact CE2-CG1 4.27Å; Y34-I152 HydrophobicContact CE2-CG2 3.74Å; Y34-I152 HydrophobicContact CG-CD1 4.1Å; W89-I152 HydrophobicContact CH2-CG1 4.09Å; W89-I152 HydrophobicContact CZ3-CG1 4.47Å; M148-I152 HydrophobicContact CE-CD1 3.72Å; M148-I152 HydrophobicContact CE-CG1 4.46Å; M148-I152 HydrophobicContact CG-CD1 4.03Å; M148-I152 WeakPolarHBondContact O-CG1 3.29Å; M148-I152 PolarHBondContact O-N 3.19Å; I152-T154 VanDerWaalsContact C-N 3.28Å; I152-T154 PolarHBondContact O-N 2.9Å; I152-E155 PolarHBondContact O-N 3.3Å; I152-Q156 HydrophobicContact CG2-CG 4.31Å; I152-Q156 WeakPolarHBondContact O-CB 3.25Å; I152-Q156 WeakPolarHBondContact O-CG 2.97Å; I152-Q156 PolarHBondContact O-N 3.27Å; I152-W166 HydrophobicContact CG1-CH2 4.48Å; I152-W166 HydrophobicContact CG1-CZ3 4.16Å; I152-L175 HydrophobicContact CD1-CD2 3.38Å; I152-L175 HydrophobicContact CD1-CG 4.06Å
153D90.4Very high88.3Confident60 Ų6057.1 Ų57.132%0.32131%0.306SS..Hα-helixtrans-60.9-39.2178.4175.964.3000111.7G149 V150 Q156 K157G149-D153 WeakPolarHBondContact O-CB 3.41Å; G149-D153 PolarHBondContact O-N 2.96Å; G149-D153 VanDerWaalsContact O-N 3.14Å; V150-D153 PolarHBondContact O-N 3.47Å; D153-Q156 PolarHBondContact O-N 3.15Å; D153-K157 VanDerWaalsContact O-CG 3.32Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 2.98Å; D153-K157 WeakPolarHBondContact OD1-CE 3.33Å; D153-K157 IonicContact OD1-NZ 3.74Å; D153-K157 WeakPolarHBondContact OD2-CE 3.27Å; D153-K157 IonicContact OD2-NZ 2.64Å; D153-K157 PolarHBondContact OD2-NZ 2.8Å
154T89.4Confident86.4Confident62 Ų6262.3 Ų62.338%0.3833%0.328SS..Hα-helixtrans-63.6-47.5176.1-57.70000111.2V150 G151 I152 Q156 K157 I158V150-T154 VanDerWaalsContact O-CB 3.31Å; V150-T154 WeakPolarHBondContact O-CB 3.49Å; V150-T154 PolarHBondContact O-N 3.48Å; V150-T154 PolarHBondContact O-OG1 2.83Å; G151-T154 PolarHBondContact O-N 3.42Å; I152-T154 VanDerWaalsContact C-N 3.28Å; I152-T154 PolarHBondContact O-N 2.9Å; T154-Q156 PolarHBondContact O-N 3.28Å; T154-K157 WeakPolarHBondContact O-CB 3.46Å; T154-K157 PolarHBondContact O-N 2.86Å; T154-I158 HydrophobicContact CG2-CD1 4.03Å; T154-I158 WeakPolarHBondContact O-CG1 3.48Å; T154-I158 PolarHBondContact O-N 3.47Å
155E88Confident84.9Confident12 Ų1263.5 Ų63.56%0.05634%0.336CS..Hα-helixtrans-64.8-38.3178.3-66.7-71.4-175.400112R87 W89 G151 I152 K157 I158 E159 W166 L170R87-E155 WeakPolarHBondContact CG-OE1 3.25Å; R87-E155 IonicContact CZ-OE1 2.9Å; R87-E155 IonicContact NE-OE1 2.75Å; R87-E155 PolarHBondContact NE-OE1 2.83Å; R87-E155 IonicContact NH2-OE1 2.73Å; R87-E155 IonicContact NH2-OE2 3.25Å; W89-E155 HydrophobicContact CZ2-CG 4.22Å; W89-E155 PolarHBondContact NE1-OE1 3.48Å; G151-E155 WeakPolarHBondContact O-CG 3.4Å; G151-E155 PolarHBondContact O-N 2.9Å; I152-E155 PolarHBondContact O-N 3.3Å; E155-K157 VanDerWaalsContact C-N 3.28Å; E155-K157 PolarHBondContact O-N 3.44Å; E155-I158 PolarHBondContact O-N 3.42Å; E155-E159 PolarHBondContact O-N 3.37Å; E155-W166 HydrophobicContact CB-CB 3.96Å; E155-W166 HydrophobicContact CB-CD2 4.3Å; E155-W166 HydrophobicContact CB-CE3 3.91Å; E155-W166 HydrophobicContact CB-CG 4.32Å; E155-W166 HydrophobicContact CG-CB 3.81Å; E155-W166 HydrophobicContact CG-CD2 3.93Å; E155-W166 HydrophobicContact CG-CE3 3.96Å; E155-W166 HydrophobicContact CG-CG 3.84Å; E155-W166 WeakPolarHBondContact OE2-CB 3.36Å; E155-L170 HydrophobicContact CB-CD1 4Å
156Q85.4Confident83.6Confident47 Ų4763 Ų6322%0.2233%0.333CS..Hα-helixtrans-64.7-30.1174.1-77.5-176.6-15.800113.2I152 D153 T154 R160 L170I152-Q156 HydrophobicContact CG2-CG 4.31Å; I152-Q156 WeakPolarHBondContact O-CB 3.25Å; I152-Q156 WeakPolarHBondContact O-CG 2.97Å; I152-Q156 PolarHBondContact O-N 3.27Å; D153-Q156 PolarHBondContact O-N 3.15Å; T154-Q156 PolarHBondContact O-N 3.28Å; Q156-R160 WeakPolarHBondContact O-CG 3.37Å; Q156-R160 PolarHBondContact O-N 2.81Å; Q156-R160 PolarHBondContact O-NE 3.09Å; Q156-L170 HydrophobicContact CG-CB 3.88Å; Q156-L170 HydrophobicContact CG-CD1 4.41Å; Q156-L170 PolarHBondContact NE2-O 2.85Å
157K85.8Confident82.4Confident115 Ų11558.8 Ų58.850%0.531%0.312SS..Hα-helixtrans-74.7-40.8173.4-74.1166.7177.8167.70111.3D153 T154 E155 R160 A161D153-K157 VanDerWaalsContact O-CG 3.32Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 2.98Å; D153-K157 WeakPolarHBondContact OD1-CE 3.33Å; D153-K157 IonicContact OD1-NZ 3.74Å; D153-K157 WeakPolarHBondContact OD2-CE 3.27Å; D153-K157 IonicContact OD2-NZ 2.64Å; D153-K157 PolarHBondContact OD2-NZ 2.8Å; T154-K157 WeakPolarHBondContact O-CB 3.46Å; T154-K157 PolarHBondContact O-N 2.86Å; E155-K157 VanDerWaalsContact C-N 3.28Å; E155-K157 PolarHBondContact O-N 3.44Å; K157-R160 PolarHBondContact O-N 3.47Å; K157-A161 PolarHBondContact O-N 2.89Å; K157-A161 VanDerWaalsContact O-N 3.16Å
158I84.2Confident81.1Confident70 Ų7059.3 Ų59.336%0.35931%0.312SS..Hα-helixtrans-63.7-44.5176.8-67166.1000111T154 E155 R160 A161 A162T154-I158 HydrophobicContact CG2-CD1 4.03Å; T154-I158 WeakPolarHBondContact O-CG1 3.48Å; T154-I158 PolarHBondContact O-N 3.47Å; E155-I158 PolarHBondContact O-N 3.42Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 2.93Å; I158-A161 PolarHBondContact O-N 2.92Å; I158-A161 VanDerWaalsContact O-N 3.08Å; I158-A162 PolarHBondContact O-N 2.99Å
159E80.2Confident80.1Confident44 Ų4463.2 Ų63.221%0.20633%0.333CS..Hα-helixtrans-59.3-42.9178.7-175.1177.9-16200111.4E155 A161 K163 S165 L170E155-E159 PolarHBondContact O-N 3.37Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 2.81Å; E159-K163 WeakPolarHBondContact O-CA 3.38Å; E159-K163 PolarHBondContact O-N 2.96Å; E159-S165 WeakPolarHBondContact OE1-CB 3.49Å; E159-L170 HydrophobicContact CB-CD1 4.36Å; E159-L170 WeakPolarHBondContact OE2-CB 3.49Å; E159-L170 WeakPolarHBondContact OE2-CD1 3.24Å; E159-L170 PolarHBondContact OE2-N 3.14Å
160R77.9Confident79Confident186 Ų18662.1 Ų62.170%0.70232%0.322SS*.Hα-helixtrans-63-32.2175.9-78-176.4-95.7179.3-10.1113.2Q156 K157 I158Q156-R160 WeakPolarHBondContact O-CG 3.37Å; Q156-R160 PolarHBondContact O-N 2.81Å; Q156-R160 PolarHBondContact O-NE 3.09Å; K157-R160 PolarHBondContact O-N 3.47Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 2.93Å
161A78.1Confident78Confident89 Ų8961.4 Ų61.474%0.73633%0.331SS*.Hα-helixtrans-89.1-39.8-176.200000113.9K157 I158 E159K157-A161 PolarHBondContact O-N 2.89Å; K157-A161 VanDerWaalsContact O-N 3.16Å; I158-A161 PolarHBondContact O-N 2.92Å; I158-A161 VanDerWaalsContact O-N 3.08Å; E159-A161 VanDerWaalsContact C-N 3.29Å; E159-A161 PolarHBondContact O-N 2.81Å
162A70.8Confident77.5Confident57 Ų5765 Ų6547%0.47135%0.347SS..Hα-helixtrans-128.91.6-166.300000114.7I158 H164I158-A162 PolarHBondContact O-N 2.99Å; A162-H164 PolarHBondContact O-N 2.82Å
163K66.9Low77.3Confident182 Ų18264.8 Ų64.879%0.79135%0.346SS*.  trans55.512.5-177-148.2175.2-175178.30114.7E159 S165E159-K163 WeakPolarHBondContact O-CA 3.38Å; E159-K163 PolarHBondContact O-N 2.96Å; K163-S165 PolarHBondContact O-N 2.75Å
164H60Low77.3Confident140 Ų14063.6 Ų63.665%0.64834%0.342SS*.  trans-82.294.1168.7-76.3-67.3000108.4A162A162-H164 PolarHBondContact O-N 2.82Å
165S66.2Low77.5Confident25 Ų2563.8 Ų63.818%0.17534%0.34CS..  trans-85.8115.5-174.959.80000111K60 E159 K163 L167K60-S165 PolarHBondContact NZ-OG 3.46Å; K60-S165 VanDerWaalsContact NZ-OG 3.11Å; E159-S165 WeakPolarHBondContact OE1-CB 3.49Å; K163-S165 PolarHBondContact O-N 2.75Å; S165-L167 CarbonylContact C-O 3.34Å; S165-L167 VanDerWaalsContact CB-O 3.29Å; S165-L167 WeakPolarHBondContact CB-O 3.41Å; S165-L167 PolarHBondContact O-N 2.97Å
166W69.4Low77.7Confident0 Ų064.5 Ų64.50%035%0.346CS..SBendtrans-73105.1163.2168.975.1000108.1Y34 L47 I84 R87 W89 I152 E155 L170Y34-W166 HydrophobicContact CD1-CH2 4.33Å; Y34-W166 HydrophobicContact CD1-CZ3 4.38Å; Y34-W166 HydrophobicContact CE1-CH2 4.42Å; Y34-W166 HydrophobicContact CE1-CZ3 4.03Å; L47-W166 HydrophobicContact CD2-CH2 4.17Å; L47-W166 HydrophobicContact CD2-CZ2 4.17Å; I84-W166 PolarHBondContact O-NE1 3.28Å; R87-W166 HydrophobicContact CG-CG 4.28Å; R87-W166 VanDerWaalsContact CG-NE1 3.32Å; W89-W166 AromaticContact CH2-CE2 3.97Å; W89-W166 HydrophobicContact CH2-CE3 4.5Å; W89-W166 AromaticContact CH2-CH2 3.3Å; W89-W166 HydrophobicContact CH2-CH2 3.3Å; W89-W166 AromaticContact CH2-CZ2 3.3Å; W89-W166 HydrophobicContact CH2-CZ2 3.3Å; W89-W166 AromaticContact CH2-CZ3 3.92Å; W89-W166 HydrophobicContact CH2-CZ3 3.92Å; W89-W166 AromaticContact CZ2-CD2 3.84Å; W89-W166 HydrophobicContact CZ2-CD2 3.84Å; W89-W166 AromaticContact CZ2-CE2 3.44Å; W89-W166 VanDerWaalsContact CZ2-CE2 3.44Å; W89-W166 AromaticContact CZ2-CE3 3.97Å; W89-W166 HydrophobicContact CZ2-CE3 3.97Å; W89-W166 AromaticContact CZ2-CH2 3.56Å; W89-W166 HydrophobicContact CZ2-CH2 3.56Å; W89-W166 AromaticContact CZ2-CZ2 3.3Å; W89-W166 HydrophobicContact CZ2-CZ2 3.3Å; W89-W166 AromaticContact CZ2-CZ3 3.86Å; W89-W166 HydrophobicContact CZ2-CZ3 3.86Å; I152-W166 HydrophobicContact CG1-CH2 4.48Å; I152-W166 HydrophobicContact CG1-CZ3 4.16Å; E155-W166 HydrophobicContact CB-CB 3.96Å; E155-W166 HydrophobicContact CB-CD2 4.3Å; E155-W166 HydrophobicContact CB-CE3 3.91Å; E155-W166 HydrophobicContact CB-CG 4.32Å; E155-W166 HydrophobicContact CG-CB 3.81Å; E155-W166 HydrophobicContact CG-CD2 3.93Å; E155-W166 HydrophobicContact CG-CE3 3.96Å; E155-W166 HydrophobicContact CG-CG 3.84Å; E155-W166 WeakPolarHBondContact OE2-CB 3.36Å; W166-L170 HydrophobicContact CB-CD1 4.4Å; W166-L170 HydrophobicContact CE3-CD1 4.21Å; W166-L170 HydrophobicContact CE3-CD2 3.41Å; W166-L170 VanDerWaalsContact CE3-CD2 3.41Å; W166-L170 HydrophobicContact CE3-CG 4.41Å; W166-L170 HydrophobicContact CZ3-CD2 3.61Å; W166-L170 WeakPolarHBondContact O-CD1 3.15Å; W166-L170 WeakPolarHBondContact O-CD2 3.41Å; W166-L170 VanDerWaalsContact O-CG 3.29Å; W166-L170 WeakPolarHBondContact O-CG 3.22Å
167L74Confident78.2Confident1 Ų167.4 Ų67.41%0.00536%0.355CS..SBendtrans57.3150.8-159.8-66.3145.8000111F44 F54 Y57 S165F44-L167 HydrophobicContact CB-CD2 4.45Å; F44-L167 HydrophobicContact CD2-CD1 4.31Å; F44-L167 HydrophobicContact CD2-CD2 3.68Å; F44-L167 HydrophobicContact CD2-CG 4.48Å; F44-L167 HydrophobicContact CE2-CD1 4.15Å; F44-L167 HydrophobicContact CE2-CD2 4.25Å; F44-L167 HydrophobicContact CG-CD2 4.25Å; F54-L167 HydrophobicContact CE1-CD2 3.9Å; F54-L167 HydrophobicContact CZ-CD2 4.35Å; Y57-L167 HydrophobicContact CE2-CD2 4.39Å; S165-L167 CarbonylContact C-O 3.34Å; S165-L167 VanDerWaalsContact CB-O 3.29Å; S165-L167 WeakPolarHBondContact CB-O 3.41Å; S165-L167 PolarHBondContact O-N 2.97Å
168E69Low78.7Confident41 Ų4161.9 Ų61.919%0.19233%0.332CS..SBendtrans-78.5146.7-176.1-64.9-175.5151.400110.4N42 Y57 K60N42-E168 PolarHBondContact ND2-O 2.92Å; N42-E168 PolarHBondContact OD1-O 3.25Å; Y57-E168 HydrophobicContact CE2-CB 4.42Å; Y57-E168 HydrophobicContact CE2-CG 4.2Å; K60-E168 WeakPolarHBondContact CE-OE1 3.32Å
169D72.8Confident79.3Confident82 Ų8260.9 Ų60.944%0.43932%0.324SS..  trans54.356.4172.9-61.2-34.4000115.4N42 G171 Q172 N173N42-D169 PolarHBondContact ND2-O 3.23Å; D169-G171 PolarHBondContact O-N 2.98Å; D169-G171 VanDerWaalsContact O-N 3.11Å; D169-Q172 PolarHBondContact O-N 2.85Å; D169-N173 PolarHBondContact O-ND2 2.97Å
170L72.8Confident80.1Confident0 Ų060.3 Ų60.30%033%0.329CS..G310 helixtrans-60.7-23.2178.9-66.4161000113.4Y34 E155 Q156 E159 W166 Q172 N173Y34-L170 HydrophobicContact CE1-CD2 3.89Å; Y34-L170 VanDerWaalsContact OH-CD2 3.24Å; Y34-L170 WeakPolarHBondContact OH-CD2 2.99Å; Y34-L170 PolarHBondContact OH-O 2.92Å; E155-L170 HydrophobicContact CB-CD1 4Å; Q156-L170 HydrophobicContact CG-CB 3.88Å; Q156-L170 HydrophobicContact CG-CD1 4.41Å; Q156-L170 PolarHBondContact NE2-O 2.85Å; E159-L170 HydrophobicContact CB-CD1 4.36Å; E159-L170 WeakPolarHBondContact OE2-CB 3.49Å; E159-L170 WeakPolarHBondContact OE2-CD1 3.24Å; E159-L170 PolarHBondContact OE2-N 3.14Å; W166-L170 HydrophobicContact CB-CD1 4.4Å; W166-L170 HydrophobicContact CE3-CD1 4.21Å; W166-L170 HydrophobicContact CE3-CD2 3.41Å; W166-L170 VanDerWaalsContact CE3-CD2 3.41Å; W166-L170 HydrophobicContact CE3-CG 4.41Å; W166-L170 HydrophobicContact CZ3-CD2 3.61Å; W166-L170 WeakPolarHBondContact O-CD1 3.15Å; W166-L170 WeakPolarHBondContact O-CD2 3.41Å; W166-L170 VanDerWaalsContact O-CG 3.29Å; W166-L170 WeakPolarHBondContact O-CG 3.22Å; L170-Q172 PolarHBondContact O-N 3.38Å; L170-N173 PolarHBondContact O-N 2.92Å
171G73.5Confident81Confident65 Ų6553.1 Ų53.167%0.6730%0.304SS*.G310 helixtrans-65.4-17.4176.100000114D169D169-G171 PolarHBondContact O-N 2.98Å; D169-G171 VanDerWaalsContact O-N 3.11Å
172Q82.6Confident82Confident80 Ų8048.9 Ų48.937%0.37427%0.269SS..G310 helixtrans-101.29.9177.5-57.5-169.74.100113.2R36 Y37 S40 D169 L170R36-Q172 WeakPolarHBondContact CA-O 3.39Å; Y37-Q172 VanDerWaalsContact CD2-C 3.48Å; Y37-Q172 WeakPolarHBondContact CD2-O 3.15Å; Y37-Q172 PolarHBondContact N-O 3.32Å; S40-Q172 WeakPolarHBondContact OG-CB 3.28Å; S40-Q172 PolarHBondContact OG-OE1 3.03Å; D169-Q172 PolarHBondContact O-N 2.85Å; L170-Q172 PolarHBondContact O-N 3.38Å
173N86.7Confident83.2Confident3 Ų347.8 Ų47.82%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-125.4149.6-175.9-57.7-28000110.4Y34 A35 R36 N42 F44 D169 L170Y34-N173 HydrophobicContact CD1-CB 4.3Å; Y34-N173 HydrophobicContact CE1-CB 3.46Å; Y34-N173 VanDerWaalsContact CE1-CB 3.46Å; Y34-N173 HydrophobicContact CE2-CB 3.98Å; Y34-N173 WeakPolarHBondContact OH-CB 3.43Å; A35-N173 CarbonylContact O-C 3.4Å; A35-N173 WeakPolarHBondContact O-CA 3.19Å; R36-N173 WeakPolarHBondContact CA-OD1 3.39Å; R36-N173 WeakPolarHBondContact CB-OD1 3.36Å; N42-N173 PolarHBondContact ND2-ND2 2.9Å; N42-N173 PolarHBondContact ND2-OD1 3.38Å; F44-N173 WeakPolarHBondContact CD1-ND2 3.36Å; D169-N173 PolarHBondContact O-ND2 2.97Å; L170-N173 PolarHBondContact O-N 2.92Å
174S90.1Very high84.7Confident34 Ų3442.9 Ų42.924%0.23824%0.242CC..EExtended strand (participates in β ladder)trans-142.3160.5-178.560.60000111.9Y34 A35 S176Y34-S174 WeakPolarHBondContact CA-O 3.36Å; Y34-S174 WeakPolarHBondContact CD2-O 3.32Å; A35-S174 PolarHBondContact N-O 3.42Å; A35-S174 PolarHBondContact O-N 3.05Å; S174-S176 PolarHBondContact O-N 3.03Å
175L92.6Very high86.5Confident67 Ų6736.3 Ų36.335%0.35121%0.212SC..EExtended strand (participates in β ladder)trans-57.5123.2165.7-72.7169.5000108.4M148 I152 Y179M148-L175 HydrophobicContact CG-CD2 4.01Å; I152-L175 HydrophobicContact CD1-CD2 3.38Å; I152-L175 HydrophobicContact CD1-CG 4.06Å; L175-Y179 HydrophobicContact CB-CD1 4.08Å; L175-Y179 HydrophobicContact CB-CG 4.34Å; L175-Y179 HydrophobicContact CD1-CD1 4.09Å; L175-Y179 HydrophobicContact CD1-CE1 3.77Å; L175-Y179 HydrophobicContact CD1-CE2 4.41Å; L175-Y179 HydrophobicContact CD2-CD1 4.17Å; L175-Y179 HydrophobicContact CD2-CD2 3.76Å; L175-Y179 HydrophobicContact CD2-CE1 4.45Å; L175-Y179 HydrophobicContact CD2-CE2 4.04Å; L175-Y179 HydrophobicContact CD2-CG 3.83Å; L175-Y179 HydrophobicContact CG-CD1 4.35Å; L175-Y179 HydrophobicContact CG-CG 4.47Å
176S93.9Very high88Confident26 Ų2636.2 Ų36.218%0.18221%0.209CC..  trans-101.8-174.8-171.5-171.20000111.1Y32 W33 S174 S178 Y179 G180Y32-S176 CarbonylContact O-C 3.56Å; Y32-S176 WeakPolarHBondContact O-CB 3.3Å; W33-S176 PolarHBondContact O-N 3.34Å; S174-S176 PolarHBondContact O-N 3.03Å; S176-S178 VanDerWaalsContact C-N 3.29Å; S176-S178 PolarHBondContact O-N 3.43Å; S176-Y179 WeakPolarHBondContact O-CB 3.45Å; S176-Y179 PolarHBondContact O-N 3.31Å; S176-G180 PolarHBondContact O-N 2.92Å
177W95.2Very high89.3Confident108 Ų10841.4 Ų41.441%0.40924%0.236SC..Hα-helixtrans-67.6-26.1-167.256.6-95.5000113.4V26 M30 Y32 Y179 G180 I181V26-W177 HydrophobicContact CG1-CZ3 4.16Å; M30-W177 HydrophobicContact CB-CH2 3.62Å; M30-W177 HydrophobicContact CB-CZ2 4.41Å; M30-W177 HydrophobicContact CB-CZ3 3.99Å; M30-W177 HydrophobicContact CG-CH2 3.53Å; M30-W177 HydrophobicContact CG-CZ3 3.99Å; M30-W177 HydrophobicContact SD-CH2 3.85Å; Y32-W177 VanDerWaalsContact CB-CE2 3.48Å; Y32-W177 AromaticContact CD1-CE2 3.95Å; Y32-W177 HydrophobicContact CD1-CZ2 4.27Å; Y32-W177 AromaticContact CD1-NE1 3.27Å; Y32-W177 VanDerWaalsContact CD1-NE1 3.27Å; Y32-W177 AromaticContact CD2-CE2 3.61Å; Y32-W177 AromaticContact CD2-CH2 3.96Å; Y32-W177 HydrophobicContact CD2-CH2 3.96Å; Y32-W177 AromaticContact CD2-CZ2 3.13Å; Y32-W177 HydrophobicContact CD2-CZ2 3.13Å; Y32-W177 AromaticContact CD2-NE1 3.81Å; Y32-W177 AromaticContact CE1-NE1 3.76Å; Y32-W177 HydrophobicContact CE2-CH2 4.46Å; Y32-W177 AromaticContact CE2-CZ2 3.51Å; Y32-W177 HydrophobicContact CE2-CZ2 3.51Å; Y32-W177 HydrophobicContact CG-CD2 4.43Å; Y32-W177 AromaticContact CG-CE2 3.44Å; Y32-W177 VanDerWaalsContact CG-CE2 3.44Å; Y32-W177 AromaticContact CG-CZ2 3.52Å; Y32-W177 HydrophobicContact CG-CZ2 3.52Å; Y32-W177 AromaticContact CG-NE1 3.25Å; W177-Y179 VanDerWaalsContact C-N 3.3Å; W177-Y179 PolarHBondContact O-N 2.78Å; W177-G180 CarbonylContact O-C 3.32Å; W177-G180 WeakPolarHBondContact O-CA 3.46Å; W177-G180 PolarHBondContact O-N 3.25Å; W177-G180 VanDerWaalsContact O-N 3.12Å; W177-I181 HydrophobicContact CE3-CD1 3.51Å; W177-I181 HydrophobicContact CE3-CG1 4.34Å; W177-I181 HydrophobicContact CZ3-CD1 3.69Å; W177-I181 WeakPolarHBondContact O-CG1 3.31Å; W177-I181 PolarHBondContact O-N 3.33Å
178S96.1Very high90.3Very high0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-65-37.5177-158.90000111.4S27 M30 Y32 W33 S176 G180 I181 A182S27-S178 WeakPolarHBondContact CA-OG 3.41Å; S27-S178 WeakPolarHBondContact CB-O 3.22Å; S27-S178 PolarHBondContact O-OG 3.21Å; S27-S178 PolarHBondContact OG-O 3.27Å; S27-S178 PolarHBondContact OG-OG 3.07Å; M30-S178 PolarHBondContact O-OG 3.14Å; Y32-S178 WeakPolarHBondContact O-CA 3.28Å; Y32-S178 WeakPolarHBondContact O-CB 3.4Å; Y32-S178 PolarHBondContact O-N 3.46Å; W33-S178 PolarHBondContact NE1-OG 3.47Å; S176-S178 VanDerWaalsContact C-N 3.29Å; S176-S178 PolarHBondContact O-N 3.43Å; S178-G180 VanDerWaalsContact C-N 3.34Å; S178-I181 PolarHBondContact O-N 2.9Å; S178-A182 PolarHBondContact O-N 3.44Å
179Y96.5Very high91.6Very high49 Ų4939.6 Ų39.619%0.19223%0.228CC..Hα-helixtrans-63.4-41.1171.9177.1-90.2000111.3W33 L145 M148 L175 S176 W177 A182 A183W33-Y179 AromaticContact CE3-CD2 3.83Å; W33-Y179 HydrophobicContact CE3-CD2 3.83Å; W33-Y179 AromaticContact CZ3-CD2 3.88Å; W33-Y179 HydrophobicContact CZ3-CD2 3.88Å; L145-Y179 HydrophobicContact CB-CE2 4.18Å; L145-Y179 HydrophobicContact CD2-CD2 3.71Å; L145-Y179 HydrophobicContact CD2-CE1 4.33Å; L145-Y179 HydrophobicContact CD2-CE2 3.43Å; L145-Y179 VanDerWaalsContact CD2-CE2 3.43Å; L145-Y179 HydrophobicContact CD2-CG 4.28Å; L145-Y179 HydrophobicContact CG-CE2 4.42Å; L145-Y179 PolarHBondContact O-OH 2.88Å; L145-Y179 VanDerWaalsContact O-OH 3.14Å; M148-Y179 HydrophobicContact CB-CD2 4.36Å; M148-Y179 HydrophobicContact CB-CE2 4.02Å; M148-Y179 HydrophobicContact CG-CD2 4.14Å; M148-Y179 HydrophobicContact CG-CE2 4.21Å; L175-Y179 HydrophobicContact CB-CD1 4.08Å; L175-Y179 HydrophobicContact CB-CG 4.34Å; L175-Y179 HydrophobicContact CD1-CD1 4.09Å; L175-Y179 HydrophobicContact CD1-CE1 3.77Å; L175-Y179 HydrophobicContact CD1-CE2 4.41Å; L175-Y179 HydrophobicContact CD2-CD1 4.17Å; L175-Y179 HydrophobicContact CD2-CD2 3.76Å; L175-Y179 HydrophobicContact CD2-CE1 4.45Å; L175-Y179 HydrophobicContact CD2-CE2 4.04Å; L175-Y179 HydrophobicContact CD2-CG 3.83Å; L175-Y179 HydrophobicContact CG-CD1 4.35Å; L175-Y179 HydrophobicContact CG-CG 4.47Å; S176-Y179 WeakPolarHBondContact O-CB 3.45Å; S176-Y179 PolarHBondContact O-N 3.31Å; W177-Y179 VanDerWaalsContact C-N 3.3Å; W177-Y179 PolarHBondContact O-N 2.78Å; Y179-A182 WeakPolarHBondContact O-CB 3.16Å; Y179-A182 PolarHBondContact O-N 2.86Å; Y179-A183 PolarHBondContact O-N 3.36Å; Y179-A183 VanDerWaalsContact O-N 3.15Å
180G97.1Very high92.7Very high31 Ų3137.8 Ų37.832%0.3222%0.221SC..Hα-helixtrans-62.1-41.4173.200000113.1S176 W177 S178 A182 A183 I184S176-G180 PolarHBondContact O-N 2.92Å; W177-G180 CarbonylContact O-C 3.32Å; W177-G180 WeakPolarHBondContact O-CA 3.46Å; W177-G180 PolarHBondContact O-N 3.25Å; W177-G180 VanDerWaalsContact O-N 3.12Å; S178-G180 VanDerWaalsContact C-N 3.34Å; G180-A182 VanDerWaalsContact C-N 3.34Å; G180-A182 PolarHBondContact O-N 3.46Å; G180-A183 WeakPolarHBondContact O-CB 3.48Å; G180-A183 PolarHBondContact O-N 3.19Å; G180-A183 VanDerWaalsContact O-N 3.15Å; G180-I184 WeakPolarHBondContact O-CG1 3.45Å; G180-I184 PolarHBondContact O-N 3.5Å
181I97.6Very high93.8Very high36 Ų3641.1 Ų41.119%0.18524%0.238CC..Hα-helixtrans-65.2-36.6176.1-67.6179.9000111.3C23 V26 W177 S178 A183 I184 S185C23-I181 HydrophobicContact CB-CG2 3.66Å; C23-I181 WeakPolarHBondContact O-CG2 3.49Å; V26-I181 HydrophobicContact CG1-CD1 3.98Å; W177-I181 HydrophobicContact CE3-CD1 3.51Å; W177-I181 HydrophobicContact CE3-CG1 4.34Å; W177-I181 HydrophobicContact CZ3-CD1 3.69Å; W177-I181 WeakPolarHBondContact O-CG1 3.31Å; W177-I181 PolarHBondContact O-N 3.33Å; S178-I181 PolarHBondContact O-N 2.9Å; I181-A183 VanDerWaalsContact C-N 3.31Å; I181-A183 PolarHBondContact O-N 3.43Å; I181-I184 PolarHBondContact O-N 3.07Å; I181-S185 PolarHBondContact O-N 2.72Å
182A97.7Very high94.7Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-60.3-40.5171.400000112S27 W33 F97 L145 S178 Y179 G180 I184 S185 L186S27-A182 VanDerWaalsContact OG-CB 3.32Å; S27-A182 WeakPolarHBondContact OG-CB 3.45Å; W33-A182 HydrophobicContact CH2-CB 3.82Å; W33-A182 HydrophobicContact CZ2-CB 3.93Å; F97-A182 HydrophobicContact CE2-CB 3.61Å; F97-A182 HydrophobicContact CZ-CB 3.95Å; L145-A182 HydrophobicContact CD2-CB 3.81Å; S178-A182 PolarHBondContact O-N 3.44Å; Y179-A182 WeakPolarHBondContact O-CB 3.16Å; Y179-A182 PolarHBondContact O-N 2.86Å; G180-A182 VanDerWaalsContact C-N 3.34Å; G180-A182 PolarHBondContact O-N 3.46Å; A182-I184 VanDerWaalsContact C-N 3.35Å; A182-S185 WeakPolarHBondContact O-CB 3.32Å; A182-S185 PolarHBondContact O-N 2.92Å; A182-L186 PolarHBondContact O-N 3.05Å
183A97.6Very high95.3Very high33 Ų3335.6 Ų35.627%0.27320%0.197SC..Hα-helixtrans-64.7-38.1174.700000112.4L145 Y179 G180 I181 L186 L187L145-A183 HydrophobicContact CD1-CB 4.12Å; Y179-A183 PolarHBondContact O-N 3.36Å; Y179-A183 VanDerWaalsContact O-N 3.15Å; G180-A183 WeakPolarHBondContact O-CB 3.48Å; G180-A183 PolarHBondContact O-N 3.19Å; G180-A183 VanDerWaalsContact O-N 3.15Å; I181-A183 VanDerWaalsContact C-N 3.31Å; I181-A183 PolarHBondContact O-N 3.43Å; A183-L186 WeakPolarHBondContact O-CB 3.45Å; A183-L186 PolarHBondContact O-N 2.93Å; A183-L187 WeakPolarHBondContact O-CG 3.48Å; A183-L187 PolarHBondContact O-N 2.9Å; A183-L187 VanDerWaalsContact O-N 3.08Å
184I97.6Very high95.5Very high80 Ų8040 Ų4041%0.4122%0.219SC..Hα-helixtrans-64.7-41.7174.1-65.8167.9000111F19 G180 I181 A182 L186 L187 S188F19-I184 HydrophobicContact CE1-CG2 3.79Å; F19-I184 HydrophobicContact CZ-CG2 4.2Å; G180-I184 WeakPolarHBondContact O-CG1 3.45Å; G180-I184 PolarHBondContact O-N 3.5Å; I181-I184 PolarHBondContact O-N 3.07Å; A182-I184 VanDerWaalsContact C-N 3.35Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 2.72Å; I184-L187 PolarHBondContact O-N 3.25Å; I184-S188 PolarHBondContact O-N 3.47Å
185S97.4Very high95.5Very high2 Ų239.6 Ų39.61%0.01422%0.215CC..Hα-helixtrans-57.2-46.9174.6-179.30000111.3G20 G24 I181 A182 L187 S188 S189G20-S185 WeakPolarHBondContact O-CB 3.39Å; G20-S185 PolarHBondContact O-OG 3.44Å; G24-S185 PolarHBondContact N-OG 3.46Å; I181-S185 PolarHBondContact O-N 2.72Å; A182-S185 WeakPolarHBondContact O-CB 3.32Å; A182-S185 PolarHBondContact O-N 2.92Å; S185-L187 PolarHBondContact O-N 2.73Å; S185-S188 WeakPolarHBondContact O-CB 3.38Å; S185-S188 PolarHBondContact O-N 2.8Å; S185-S189 PolarHBondContact O-N 2.99Å; S185-S189 PolarHBondContact O-OG 3.33Å
186L97.7Very high95.3Very high22 Ų2237.1 Ų37.112%0.11520%0.202CC..Hα-helixtrans-56.6-47.8174.9172.261.4000112.3C138 T141 L142 L145 A182 A183 I184 S188 S189 C190C138-L186 HydrophobicContact CB-CD1 3.84Å; C138-L186 WeakPolarHBondContact O-CD1 3.46Å; T141-L186 HydrophobicContact CG2-CB 3.86Å; L142-L186 HydrophobicContact CB-CD2 4.22Å; L142-L186 HydrophobicContact CD1-CD2 4.13Å; L145-L186 HydrophobicContact CD1-CD2 3.93Å; A182-L186 PolarHBondContact O-N 3.05Å; A183-L186 WeakPolarHBondContact O-CB 3.45Å; A183-L186 PolarHBondContact O-N 2.93Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 2.72Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 3.45Å; L186-S189 PolarHBondContact O-N 3.17Å; L186-C190 WeakPolarHBondContact O-CB 3.22Å; L186-C190 PolarHBondContact O-N 3.3Å; L186-C190 PolarHBondContact O-SG 3.11Å; L186-C190 VanDerWaalsContact O-SG 3.35Å
187L96.9Very high94.9Very high109 Ų10937 Ų3757%0.57120%0.204SC*.Hα-helixtrans-60.6-42.2179.5-69.8174000111.5A183 I184 S185 C190 I191A183-L187 WeakPolarHBondContact O-CG 3.48Å; A183-L187 PolarHBondContact O-N 2.9Å; A183-L187 VanDerWaalsContact O-N 3.08Å; I184-L187 PolarHBondContact O-N 3.25Å; S185-L187 PolarHBondContact O-N 2.73Å; L187-C190 PolarHBondContact O-N 3.26Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.19Å; L187-I191 PolarHBondContact O-N 3.37Å
188S95.7Very high94.3Very high4 Ų441.3 Ų41.33%0.02822%0.22CC..Hα-helixtrans-62.5-43.6177.7-154.90000112.4F16 I184 S185 L186 T192F16-S188 PolarHBondContact O-OG 3.28Å; I184-S188 PolarHBondContact O-N 3.47Å; S185-S188 WeakPolarHBondContact O-CB 3.38Å; S185-S188 PolarHBondContact O-N 2.8Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 3.45Å; S188-T192 PolarHBondContact O-N 2.9Å; S188-T192 VanDerWaalsContact O-N 3.1Å; S188-T192 PolarHBondContact O-OG1 2.79Å
189S95.8Very high93Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-64.6-43.9175.5-63.40000111.8H104 N137 C138 S185 L186 I191 T192 V193H104-S189 PolarHBondContact CE1-OG 3.21Å; H104-S189 VanDerWaalsContact CE1-OG 3.27Å; N137-S189 VanDerWaalsContact OD1-CB 3.3Å; N137-S189 WeakPolarHBondContact OD1-CB 3.1Å; N137-S189 PolarHBondContact OD1-OG 3.05Å; C138-S189 WeakPolarHBondContact SG-CB 3.38Å; S185-S189 PolarHBondContact O-N 2.99Å; S185-S189 PolarHBondContact O-OG 3.33Å; L186-S189 PolarHBondContact O-N 3.17Å; S189-I191 PolarHBondContact O-N 3.38Å; S189-T192 WeakPolarHBondContact O-CB 3.29Å; S189-T192 PolarHBondContact O-N 3.05Å; S189-V193 WeakPolarHBondContact O-CG2 3.16Å; S189-V193 PolarHBondContact O-N 2.64Å
190C95.8Very high91.7Very high44 Ų4446.8 Ų46.830%0.29725%0.249SC..Hα-helixtrans-60-46.2176.7-76.60000112.2L186 L187 T192 V193 I194L186-C190 WeakPolarHBondContact O-CB 3.22Å; L186-C190 PolarHBondContact O-N 3.3Å; L186-C190 PolarHBondContact O-SG 3.11Å; L186-C190 VanDerWaalsContact O-SG 3.35Å; L187-C190 PolarHBondContact O-N 3.26Å; C190-T192 VanDerWaalsContact C-N 3.29Å; C190-T192 PolarHBondContact O-N 3.04Å; C190-V193 PolarHBondContact O-N 3.39Å; C190-I194 VanDerWaalsContact O-CG1 3.28Å; C190-I194 WeakPolarHBondContact O-CG1 3.34Å; C190-I194 PolarHBondContact O-N 3.27Å
191I94.8Very high90Very high70 Ų7051.2 Ų51.236%0.35926%0.257SS..Hα-helixtrans-58.6-45.2176.8-70.9165.6000110.1F16 L187 S189 V193 I194 I195F16-I191 HydrophobicContact CD1-CG2 4.21Å; F16-I191 HydrophobicContact CE1-CD1 4.26Å; F16-I191 HydrophobicContact CE1-CG2 4.25Å; F16-I191 HydrophobicContact CG-CG2 4.41Å; F16-I191 HydrophobicContact CZ-CG2 4.47Å; L187-I191 VanDerWaalsContact O-CG1 3.26Å; L187-I191 WeakPolarHBondContact O-CG1 3.19Å; L187-I191 PolarHBondContact O-N 3.37Å; S189-I191 PolarHBondContact O-N 3.38Å; I191-V193 PolarHBondContact O-N 3.2Å; I191-I194 PolarHBondContact O-N 2.59Å; I191-I195 HydrophobicContact CG2-CD1 3.68Å; I191-I195 HydrophobicContact CG2-CG1 4.37Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.41Å; I191-I195 PolarHBondContact O-N 2.93Å
192T94.1Very high88.1Confident0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-60.6-46178.3-54.90000111.8C13 F16 T17 L134 S188 S189 C190 I194 I195 L196C13-T192 HydrophobicContact CB-CG2 4.2Å; F16-T192 WeakPolarHBondContact CB-OG1 3.19Å; T17-T192 VanDerWaalsContact OG1-CG2 3.26Å; T17-T192 WeakPolarHBondContact OG1-CG2 3.29Å; L134-T192 HydrophobicContact CD1-CG2 3.59Å; S188-T192 PolarHBondContact O-N 2.9Å; S188-T192 VanDerWaalsContact O-N 3.1Å; S188-T192 PolarHBondContact O-OG1 2.79Å; S189-T192 WeakPolarHBondContact O-CB 3.29Å; S189-T192 PolarHBondContact O-N 3.05Å; C190-T192 VanDerWaalsContact C-N 3.29Å; C190-T192 PolarHBondContact O-N 3.04Å; T192-I194 VanDerWaalsContact C-N 3.34Å; T192-I194 PolarHBondContact O-N 3.04Å; T192-I195 PolarHBondContact O-N 2.85Å; T192-L196 HydrophobicContact CG2-CD1 4.08Å; T192-L196 HydrophobicContact CG2-CG 4.46Å; T192-L196 WeakPolarHBondContact O-CG 3.33Å; T192-L196 PolarHBondContact O-N 3.08Å
193V93.7Very high86Confident29 Ų2958.2 Ų58.218%0.17629%0.294CS..Hα-helixtrans-61.7-42.2178172.40000111.4L134 S189 C190 I191 L196 G197L134-V193 HydrophobicContact CB-CG2 3.46Å; L134-V193 VanDerWaalsContact CB-CG2 3.46Å; L134-V193 HydrophobicContact CD1-CG2 4.36Å; S189-V193 WeakPolarHBondContact O-CG2 3.16Å; S189-V193 PolarHBondContact O-N 2.64Å; C190-V193 PolarHBondContact O-N 3.39Å; I191-V193 PolarHBondContact O-N 3.2Å; V193-L196 PolarHBondContact O-N 3.37Å; V193-G197 PolarHBondContact O-N 3.16Å
194I92.1Very high83.8Confident95 Ų9561.8 Ų61.849%0.48731%0.308SS..Hα-helixtrans-62.5-46.4177.6-68.4164.6000110.5C190 I191 T192 G197 W198C190-I194 VanDerWaalsContact O-CG1 3.28Å; C190-I194 WeakPolarHBondContact O-CG1 3.34Å; C190-I194 PolarHBondContact O-N 3.27Å; I191-I194 PolarHBondContact O-N 2.59Å; T192-I194 VanDerWaalsContact C-N 3.34Å; T192-I194 PolarHBondContact O-N 3.04Å; I194-G197 PolarHBondContact O-N 3.41Å; I194-W198 WeakPolarHBondContact O-CB 3.24Å; I194-W198 PolarHBondContact O-N 3.27Å
195I90Very high81.4Confident27 Ų2765.8 Ų65.814%0.13832%0.323CS..Hα-helixtrans-60.6-48.4178.4-67.9170.3000110.6L9 T12 C13 I191 T192 G197 F199L9-I195 HydrophobicContact CD1-CG2 3.36Å; L9-I195 HydrophobicContact CG-CG2 3.94Å; T12-I195 HydrophobicContact CG2-CD1 4.27Å; C13-I195 VanDerWaalsContact SG-CG2 3.53Å; I191-I195 HydrophobicContact CG2-CD1 3.68Å; I191-I195 HydrophobicContact CG2-CG1 4.37Å; I191-I195 VanDerWaalsContact O-CG1 3.25Å; I191-I195 WeakPolarHBondContact O-CG1 3.41Å; I191-I195 PolarHBondContact O-N 2.93Å; T192-I195 PolarHBondContact O-N 2.85Å; I195-G197 PolarHBondContact O-N 3.11Å; I195-F199 HydrophobicContact CG2-CD2 4.13Å; I195-F199 WeakPolarHBondContact O-CB 3.14Å; I195-F199 WeakPolarHBondContact O-CD2 3.35Å; I195-F199 PolarHBondContact O-N 3.48Å
196L88.2Confident78.7Confident15 Ų1576.1 Ų76.18%0.07936%0.363CS..Hα-helixtrans-63.6-42.6178.8-70.1175.2000112.1C13 V127 I130 M131 T192 V193 V200C13-L196 HydrophobicContact CB-CD2 4.38Å; V127-L196 HydrophobicContact CG1-CD2 4.27Å; I130-L196 HydrophobicContact CB-CD1 4.43Å; I130-L196 HydrophobicContact CG2-CD1 3.64Å; M131-L196 HydrophobicContact CG-CB 3.75Å; M131-L196 HydrophobicContact CG-CD1 4.03Å; M131-L196 HydrophobicContact SD-CB 4.09Å; T192-L196 HydrophobicContact CG2-CD1 4.08Å; T192-L196 HydrophobicContact CG2-CG 4.46Å; T192-L196 WeakPolarHBondContact O-CG 3.33Å; T192-L196 PolarHBondContact O-N 3.08Å; V193-L196 PolarHBondContact O-N 3.37Å; L196-V200 HydrophobicContact CD2-CG2 4.08Å; L196-V200 VanDerWaalsContact O-CB 3.28Å; L196-V200 WeakPolarHBondContact O-CB 3.38Å; L196-V200 PolarHBondContact O-N 3.33Å; L196-V200 VanDerWaalsContact O-N 3.09Å
197G85.2Confident76.3Confident22 Ų2280.1 Ų80.123%0.22739%0.39CS..Hα-helixtrans-64.6-44.6179.700000113.3V193 I194 I195 P202V193-G197 PolarHBondContact O-N 3.16Å; I194-G197 PolarHBondContact O-N 3.41Å; I195-G197 PolarHBondContact O-N 3.11Å; G197-P202 WeakPolarHBondContact O-CD 3.41Å
198W81.7Confident73.8Confident199 Ų19983.1 Ų83.175%0.75440%0.403SS*.Hα-helixtrans-77.2-36.9-176.7-80.931.2000113.5I194 P202I194-W198 WeakPolarHBondContact O-CB 3.24Å; I194-W198 PolarHBondContact O-N 3.27Å; W198-P202 WeakPolarHBondContact O-CD 3.41Å; W198-P202 WeakPolarHBondContact O-CG 3.49Å
199F70.2Confident71.4Confident120 Ų12090.7 Ų90.753%0.52644%0.443SS..Hα-helixtrans-99.7-27-171-72.8-80.8000114.1L9 I195L9-F199 HydrophobicContact CD1-CB 4.22Å; L9-F199 HydrophobicContact CD1-CD2 3.86Å; L9-F199 HydrophobicContact CD1-CE2 4.35Å; L9-F199 HydrophobicContact CD1-CG 3.95Å; L9-F199 HydrophobicContact CD2-CB 3.35Å; L9-F199 HydrophobicContact CD2-CG 3.98Å; L9-F199 HydrophobicContact CG-CB 4.41Å; I195-F199 HydrophobicContact CG2-CD2 4.13Å; I195-F199 WeakPolarHBondContact O-CB 3.14Å; I195-F199 WeakPolarHBondContact O-CD2 3.35Å; I195-F199 PolarHBondContact O-N 3.48Å
200V68.9Low69Low44 Ų4498.4 Ų98.427%0.26749%0.485SS..THydrogen-bonded Turntrans-96.5-41.8-174.6-171.50000112.3L9 V127 L196L9-V200 HydrophobicContact CD2-CG2 4.41Å; V127-V200 HydrophobicContact CB-CG1 4.46Å; V127-V200 HydrophobicContact CG1-CB 4.22Å; V127-V200 HydrophobicContact CG1-CG1 3.87Å; V127-V200 HydrophobicContact CG1-CG2 4.47Å; V127-V200 HydrophobicContact CG2-CG1 4.32Å; L196-V200 HydrophobicContact CD2-CG2 4.08Å; L196-V200 VanDerWaalsContact O-CB 3.28Å; L196-V200 WeakPolarHBondContact O-CB 3.38Å; L196-V200 PolarHBondContact O-N 3.33Å; L196-V200 VanDerWaalsContact O-N 3.09Å
201Y61.9Low66.8Low124 Ų124104.7 Ų104.749%0.48652%0.515SS..SBendtrans-79.8-41.7-171.4-146.2-96.8000116.5K203 N204Y201-K203 PolarHBondContact O-N 3.05Å; Y201-N204 PolarHBondContact O-N 3.05Å
202P57.7Low64.5Low74 Ų74113.8 Ų113.848%0.48156%0.555SS.*G310 helixtrans-65.9-16.6-173.621.2-29.7000114G197 W198 N204G197-P202 WeakPolarHBondContact O-CD 3.41Å; W198-P202 WeakPolarHBondContact O-CD 3.41Å; W198-P202 WeakPolarHBondContact O-CG 3.49Å; P202-N204 PolarHBondContact O-N 3.38Å
203K53.4Low63Low110 Ų110119.5 Ų119.548%0.47858%0.583SS.*G310 helixtrans-76.1-18.6179.8-71.7-172168.2-161.40114.7E2 Y201E2-K203 WeakPolarHBondContact OE1-CD 3.48Å; E2-K203 WeakPolarHBondContact OE1-CE 3.48Å; E2-K203 IonicContact OE1-NZ 2.8Å; E2-K203 PolarHBondContact OE1-NZ 2.94Å; Y201-K203 PolarHBondContact O-N 3.05Å
204N50.7Low61.4Low107 Ų107124.3 Ų124.357%0.57260%0.604SS**G310 helixtrans-93.5-6.7-179.4-70-22.5000113.7Y201 P202Y201-N204 PolarHBondContact O-N 3.05Å; P202-N204 PolarHBondContact O-N 3.38Å
205F46.9Very low59.6Low165 Ų165125.9 Ų125.972%0.72461%0.611SS**SBendtrans-93.9-0.1-176-132.7-92.6000114.7
206Y42.1Very low57.9Low219 Ų219131.7 Ų131.786%0.85964%0.639SS**  trans-10578.6169.9-91.5-88.7000111.2
207P46.7Very low56Low106 Ų106139 Ų13969%0.68867%0.674SS**  trans-140.557.3143.939.4-25000111.8
208M43.6Very low54Low172 Ų172146.8 Ų146.885%0.84770%0.703SS**  trans-14982.1164.5-80.4-154.2-97.200110.1
209N45.4Very low52Low162 Ų162143.1 Ų143.187%0.86670%0.7SS**SBendtrans-171.139151.4-98.9-3000113.1
210N45.6Very low50.6Low162 Ų162144.8 Ų144.887%0.86671%0.713SS**  trans-123.663.3160.2-75.4-8.2000108
211L49Very low49.1Very low177 Ų177153.3 Ų153.393%0.92775%0.75SS**  trans-96.3114157.5-95.1150.1000105.7
212H46.4Very low47.9Very low261 Ų261155.9 Ų155.9100%1.20877%0.774SS**  trans-49.90172.9-83.9-89.2000113.1

Retrieved 212 of 212 residues in 111.4 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).