A0A077ZAD1_TRITR Loading...

Xylulose kinase

Phosphorylates D-xylulose to produce D-xylulose 5-phosphate, a molecule that may play an important role in the regulation of glucose metabolism and lipogenesis.

AlphaFold DB , UniProt , Accession A0A077ZAD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 643 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
1M36.7Very low75.8Confident213 Ų21370.3 Ų70.3100%1.04936%0.36SS*.  0125.30-70-177.7-12000106.6Q3M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.24Å
2E35.6Very low77.3Confident201 Ų20165 Ų6594%0.93933%0.333SS*.  trans-53.2105.1158.5-79.6176.915000106S4E2-S4 PolarHBondContact O-N 3.14Å
3Q51.2Low78.7Confident107 Ų10760.1 Ų60.150%0.531%0.308SS..  trans-72.998.2-173.8-105.6167.3-10.400107.5M1 N25M1-Q3 VanDerWaalsContact C-N 3.31Å; M1-Q3 PolarHBondContact O-N 3.24Å; Q3-N25 VanDerWaalsContact CD-ND2 3.31Å; Q3-N25 PolarHBondContact OE1-ND2 2.89Å
4S58.9Low79.7Confident95 Ų9556.4 Ų56.466%0.66429%0.291SS*.  trans-41.4154.2165.948.80000112.5E2 C6E2-S4 PolarHBondContact O-N 3.14Å; S4-C6 PolarHBondContact O-N 3.05Å; S4-C6 PolarHBondContact O-SG 3.23Å; S4-C6 VanDerWaalsContact O-SG 3.39Å
5D80.7Confident80.4Confident109 Ų10954.1 Ų54.158%0.58328%0.281SS*.SBendtrans-53.572.5179.9-64.7-38.3000113.5K84D5-K84 HydrophobicContact CB-CD 4.15Å; D5-K84 WeakPolarHBondContact O-CB 3.17Å; D5-K84 WeakPolarHBondContact O-CD 3.26Å; D5-K84 IonicContact OD2-NZ 2.77Å
6C93.6Very high81.1Confident11 Ų1157.8 Ų57.87%0.07430%0.297CS..  trans-97.3151.9176.954.90000111.4S4 D24 N25 K84 L86S4-C6 PolarHBondContact O-N 3.05Å; S4-C6 PolarHBondContact O-SG 3.23Å; S4-C6 VanDerWaalsContact O-SG 3.39Å; C6-D24 CarbonylContact O-C 3.51Å; C6-N25 PolarHBondContact O-N 3.33Å; C6-N25 VanDerWaalsContact O-N 3.12Å; C6-K84 WeakPolarHBondContact CA-O 3.46Å; C6-L86 HydrophobicContact CB-CD1 3.51Å; C6-L86 HydrophobicContact CB-CD2 4.39Å; C6-L86 HydrophobicContact CB-CG 3.74Å
7Y95.7Very high81.9Confident25 Ų2557.8 Ų57.810%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-123.1153.2-174.2-54.7-57.7000112.5L22 T23 F80 K84 V85 L86Y7-L22 HydrophobicContact CD1-CD2 3.56Å; Y7-L22 HydrophobicContact CD1-CG 4.48Å; Y7-L22 HydrophobicContact CD2-CD2 4.49Å; Y7-L22 HydrophobicContact CE1-CD2 4.08Å; Y7-L22 HydrophobicContact CG-CD1 4.43Å; Y7-L22 HydrophobicContact CG-CD2 3.81Å; Y7-L22 HydrophobicContact CG-CG 4.3Å; Y7-T23 CarbonylContact C-O 3.59Å; Y7-T23 WeakPolarHBondContact CA-O 3.32Å; Y7-F80 HydrophobicContact CE1-CD1 4.1Å; Y7-F80 HydrophobicContact CE2-CB 4.48Å; Y7-F80 HydrophobicContact CE2-CD1 4.31Å; Y7-F80 AromaticContact CZ-CD1 3.78Å; Y7-K84 HydrophobicContact CD2-CB 3.78Å; Y7-K84 HydrophobicContact CE2-CB 3.95Å; Y7-K84 HydrophobicContact CE2-CD 4.35Å; Y7-K84 PolarHBondContact N-O 3.32Å; Y7-V85 WeakPolarHBondContact O-CA 3.46Å; Y7-L86 PolarHBondContact O-N 2.7Å
8Y94.1Very high82.7Confident12 Ų1254.6 Ų54.65%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-123.7139.6168.9-59.7-85.5000109.1T23 L27 L86 A87 A598 K599 L602Y8-T23 PolarHBondContact N-O 2.83Å; Y8-T23 PolarHBondContact O-N 3.08Å; Y8-T23 PolarHBondContact O-OG1 2.99Å; Y8-L27 HydrophobicContact CD2-CD2 4.19Å; Y8-L27 HydrophobicContact CG-CD2 4.5Å; Y8-L86 HydrophobicContact CE1-CB 4.24Å; Y8-A87 HydrophobicContact CD1-CB 4.26Å; Y8-A87 HydrophobicContact CE1-CB 4.5Å; Y8-A598 HydrophobicContact CD1-CB 4.35Å; Y8-K599 HydrophobicContact CD1-CB 3.63Å; Y8-K599 HydrophobicContact CD1-CG 4.39Å; Y8-K599 HydrophobicContact CD2-CB 4.12Å; Y8-K599 HydrophobicContact CD2-CD 4.17Å; Y8-K599 HydrophobicContact CD2-CG 4.42Å; Y8-K599 HydrophobicContact CE1-CB 3.56Å; Y8-K599 HydrophobicContact CE1-CG 3.87Å; Y8-K599 HydrophobicContact CE2-CB 4.08Å; Y8-K599 HydrophobicContact CE2-CD 3.68Å; Y8-K599 HydrophobicContact CE2-CG 3.92Å; Y8-K599 HydrophobicContact CG-CB 3.91Å; Y8-L602 HydrophobicContact CE1-CD1 3.83Å
9L95.9Very high83.4Confident0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-117.5132.7-174.8-160.966.3000110.8F11 C20 L22 L75 V85 A87 L88 S89 F368L9-F11 HydrophobicContact CB-CE2 4.47Å; L9-F11 HydrophobicContact CD2-CE2 3.44Å; L9-F11 VanDerWaalsContact CD2-CE2 3.44Å; L9-F11 HydrophobicContact CD2-CZ 3.5Å; L9-F11 HydrophobicContact CG-CD2 4.43Å; L9-F11 HydrophobicContact CG-CE2 3.65Å; L9-F11 HydrophobicContact CG-CZ 3.99Å; L9-C20 WeakPolarHBondContact CD1-SG 3.34Å; L9-L22 HydrophobicContact CD1-CB 3.73Å; L9-L22 HydrophobicContact CD1-CD1 4.26Å; L9-L22 HydrophobicContact CD1-CG 4.22Å; L9-L75 HydrophobicContact CD1-CD1 4.1Å; L9-L75 HydrophobicContact CD1-CD2 4.22Å; L9-L75 HydrophobicContact CD2-CD1 3.95Å; L9-V85 HydrophobicContact CB-CG1 4.08Å; L9-A87 PolarHBondContact N-O 3.13Å; L9-A87 VanDerWaalsContact N-O 3.12Å; L9-L88 HydrophobicContact CB-CB 3.84Å; L9-L88 WeakPolarHBondContact O-CA 3.48Å; L9-S89 PolarHBondContact O-N 3.29Å; L9-F368 HydrophobicContact CD2-CE1 4.03Å; L9-F368 HydrophobicContact CD2-CZ 3.93Å
10G94.6Very high84Confident0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-128.3126.9-178.100000111.8C20 V21 S89 A591G10-C20 CarbonylContact O-C 3.44Å; G10-C20 WeakPolarHBondContact O-CA 3.35Å; G10-V21 PolarHBondContact N-O 2.75Å; G10-V21 PolarHBondContact O-N 3.27Å; G10-S89 WeakPolarHBondContact CA-O 3.4Å; G10-A591 CarbonylContact C-O 3.45Å; G10-A591 WeakPolarHBondContact CA-O 3.33Å
11F96.3Very high84.4Confident0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-107.1154.2178.6-68.4-92.8000112L9 L18 K19 C20 L68 L72 S89 G90 A91 L267 F271 F377L9-F11 HydrophobicContact CB-CE2 4.47Å; L9-F11 HydrophobicContact CD2-CE2 3.44Å; L9-F11 VanDerWaalsContact CD2-CE2 3.44Å; L9-F11 HydrophobicContact CD2-CZ 3.5Å; L9-F11 HydrophobicContact CG-CD2 4.43Å; L9-F11 HydrophobicContact CG-CE2 3.65Å; L9-F11 HydrophobicContact CG-CZ 3.99Å; F11-L18 HydrophobicContact CD1-CD2 4.41Å; F11-K19 CarbonylContact C-O 3.03Å; F11-K19 WeakPolarHBondContact CA-O 3.31Å; F11-C20 HydrophobicContact CD1-CB 3.83Å; F11-C20 HydrophobicContact CE1-CB 3.78Å; F11-C20 WeakPolarHBondContact CE1-SG 2.96Å; F11-C20 VanDerWaalsContact CZ-SG 3.59Å; F11-L68 HydrophobicContact CD1-CD1 4.19Å; F11-L68 HydrophobicContact CE1-CD1 3.76Å; F11-L68 HydrophobicContact CZ-CD1 4.4Å; F11-L72 HydrophobicContact CZ-CD2 4.23Å; F11-S89 PolarHBondContact N-O 3.08Å; F11-G90 CarbonylContact O-C 3.59Å; F11-G90 WeakPolarHBondContact O-CA 3.31Å; F11-A91 PolarHBondContact O-N 3.29Å; F11-L267 HydrophobicContact CB-CD2 4.11Å; F11-F271 HydrophobicContact CD1-CZ 4.44Å; F11-F271 AromaticContact CD2-CE2 3.99Å; F11-F271 HydrophobicContact CD2-CE2 3.99Å; F11-F271 AromaticContact CD2-CZ 3.92Å; F11-F271 HydrophobicContact CD2-CZ 3.92Å; F11-F271 AromaticContact CE1-CZ 3.96Å; F11-F271 HydrophobicContact CE1-CZ 3.96Å; F11-F271 HydrophobicContact CE2-CE1 4.13Å; F11-F271 AromaticContact CE2-CE2 3.9Å; F11-F271 HydrophobicContact CE2-CE2 3.9Å; F11-F271 AromaticContact CE2-CZ 3.36Å; F11-F271 HydrophobicContact CE2-CZ 3.36Å; F11-F271 HydrophobicContact CG-CE2 4.41Å; F11-F271 HydrophobicContact CG-CZ 4.43Å; F11-F271 HydrophobicContact CZ-CE1 4.13Å; F11-F271 HydrophobicContact CZ-CE2 4.26Å; F11-F271 AromaticContact CZ-CZ 3.4Å; F11-F271 HydrophobicContact CZ-CZ 3.4Å; F11-F377 HydrophobicContact CB-CE1 4Å; F11-F377 HydrophobicContact CD2-CZ 4.3Å
12D94Very high87.1Confident7 Ų738.4 Ų38.44%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-139.3100.2170.4169.325.4000108.8G14 L18 K19 A91 A590 A591D12-G14 PolarHBondContact O-N 3.35Å; D12-L18 CarbonylContact O-C 3.52Å; D12-L18 WeakPolarHBondContact O-CA 3.11Å; D12-K19 HydrophobicContact CB-CB 4.18Å; D12-K19 PolarHBondContact N-O 3.21Å; D12-K19 PolarHBondContact O-N 3.14Å; D12-K19 VanDerWaalsContact OD2-CE 3.25Å; D12-K19 WeakPolarHBondContact OD2-CE 3.36Å; D12-K19 IonicContact OD2-NZ 2.81Å; D12-K19 PolarHBondContact OD2-NZ 3.09Å; D12-A91 WeakPolarHBondContact CA-O 3.39Å; D12-A91 HydrophobicContact CB-CB 4.37Å; D12-A590 HydrophobicContact CB-CB 4.07Å; D12-A591 HydrophobicContact CB-CB 3.77Å
13L96.2Very high89.8Confident1 Ų128.9 Ų28.91%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-89.378.3175.3-17866.3000109.5L18 Y37 W64 A91 A92 Q93 V263 F266 L267L13-L18 HydrophobicContact CD1-CB 4.13Å; L13-L18 HydrophobicContact CD1-CD1 3.77Å; L13-L18 HydrophobicContact CD1-CG 4.36Å; L13-Y37 WeakPolarHBondContact CD1-OH 3.19Å; L13-W64 HydrophobicContact CD1-CB 3.85Å; L13-W64 HydrophobicContact CD1-CG 3.94Å; L13-W64 HydrophobicContact CD2-CB 4.07Å; L13-W64 HydrophobicContact CD2-CG 4.21Å; L13-W64 HydrophobicContact CG-CG 4.42Å; L13-A91 PolarHBondContact N-O 3.25Å; L13-A92 HydrophobicContact CB-CB 3.99Å; L13-A92 CarbonylContact O-C 3.54Å; L13-A92 VanDerWaalsContact O-CA 3.27Å; L13-A92 WeakPolarHBondContact O-CA 3.45Å; L13-Q93 PolarHBondContact O-N 2.82Å; L13-V263 HydrophobicContact CD2-CG1 3.43Å; L13-V263 VanDerWaalsContact CD2-CG1 3.43Å; L13-V263 HydrophobicContact CG-CG1 3.98Å; L13-F266 HydrophobicContact CD2-CD1 4.46Å; L13-L267 HydrophobicContact CB-CD2 3.77Å; L13-L267 HydrophobicContact CD2-CB 4.25Å; L13-L267 HydrophobicContact CD2-CD2 4.17Å
14G92Very high91.7Very high8 Ų825.1 Ų25.18%0.08214%0.136CC..  trans-80.8-174.7-178.600000113.5D12 Q17 Y37D12-G14 PolarHBondContact O-N 3.35Å; G14-Q17 PolarHBondContact N-O 2.9Å; G14-Q17 VanDerWaalsContact N-O 3.12Å; G14-Y37 WeakPolarHBondContact O-CE2 3.46Å; G14-Y37 PolarHBondContact O-OH 3.37Å; G14-Y37 VanDerWaalsContact O-OH 3.06Å
15T90.5Very high93.1Very high23 Ų2321.9 Ų21.914%0.14111%0.111CC..SBendtrans-71.3-38.9-178.3-55.40000113.7Y37 G49 V50 Q93 W133 M134T15-Y37 WeakPolarHBondContact O-CD2 3.38Å; T15-Y37 VanDerWaalsContact O-CE2 3.24Å; T15-Y37 WeakPolarHBondContact O-CE2 3.4Å; T15-G49 WeakPolarHBondContact O-CA 3.39Å; T15-V50 HydrophobicContact CG2-CG1 3.88Å; T15-Q93 PolarHBondContact OG1-OE1 3.42Å; T15-W133 PolarHBondContact OG1-NE1 2.94Å; T15-M134 HydrophobicContact CG2-CE 3.37Å; T15-M134 HydrophobicContact CG2-SD 4.34Å
16Q91.7Very high93.2Very high112 Ų11219.5 Ų19.552%0.52310%0.103SC..SBendtrans-103.3-18.8-173.1-65.5177.59.800113.8Y37 G48Q16-Y37 VanDerWaalsContact C-CE2 3.43Å; Q16-Y37 VanDerWaalsContact O-CD2 3.31Å; Q16-Y37 WeakPolarHBondContact O-CD2 3.2Å; Q16-Y37 PolarHBondContact O-N 3.45Å; Q16-G48 WeakPolarHBondContact CG-O 3.18Å
17Q94.6Very high92.7Very high59 Ų5919.9 Ų19.928%0.27610%0.104SC..EExtended strand (participates in β ladder)trans-160.8151.4-17260-176.2-20.200111.6G14 K19 I35 Y37G14-Q17 PolarHBondContact N-O 2.9Å; G14-Q17 VanDerWaalsContact N-O 3.12Å; Q17-K19 HydrophobicContact CG-CD 4.44Å; Q17-K19 HydrophobicContact CG-CG 4.34Å; Q17-K19 VanDerWaalsContact NE2-CE 3.34Å; Q17-I35 CarbonylContact C-O 3.03Å; Q17-I35 WeakPolarHBondContact CA-O 3.32Å; Q17-I35 VanDerWaalsContact CB-O 3.22Å; Q17-I35 WeakPolarHBondContact CB-O 3.34Å; Q17-Y37 VanDerWaalsContact N-CE2 3.28Å; Q17-Y37 PolarHBondContact O-OH 3.18Å
18L97.3Very high92.2Very high0 Ų020.6 Ų20.60%012%0.115CC..EExtended strand (participates in β ladder)trans-92.5130.5162.7178.9146.2000108.4F11 D12 L13 A34 I35 Y37 A67 L68 A71F11-L18 HydrophobicContact CD1-CD2 4.41Å; D12-L18 CarbonylContact O-C 3.52Å; D12-L18 WeakPolarHBondContact O-CA 3.11Å; L13-L18 HydrophobicContact CD1-CB 4.13Å; L13-L18 HydrophobicContact CD1-CD1 3.77Å; L13-L18 HydrophobicContact CD1-CG 4.36Å; L18-A34 CarbonylContact O-C 3.54Å; L18-A34 WeakPolarHBondContact O-CA 3.4Å; L18-I35 PolarHBondContact N-O 3.46Å; L18-I35 PolarHBondContact O-N 3.18Å; L18-Y37 HydrophobicContact CB-CE1 4.06Å; L18-Y37 VanDerWaalsContact N-CE1 3.28Å; L18-Y37 PolarHBondContact N-OH 3.4Å; L18-A67 HydrophobicContact CB-CB 3.98Å; L18-L68 HydrophobicContact CD1-CB 3.97Å; L18-L68 HydrophobicContact CD1-CD1 4.37Å; L18-A71 HydrophobicContact CD2-CB 3.4Å
19K94.7Very high91.9Very high35 Ų3523.4 Ų23.415%0.15213%0.134CC..EExtended strand (participates in β ladder)trans-114.9146.6172.1-79166.7-87.2154.10110.2F11 D12 Q17 V33 A34 H588 A591F11-K19 CarbonylContact C-O 3.03Å; F11-K19 WeakPolarHBondContact CA-O 3.31Å; D12-K19 HydrophobicContact CB-CB 4.18Å; D12-K19 PolarHBondContact N-O 3.21Å; D12-K19 PolarHBondContact O-N 3.14Å; D12-K19 VanDerWaalsContact OD2-CE 3.25Å; D12-K19 WeakPolarHBondContact OD2-CE 3.36Å; D12-K19 IonicContact OD2-NZ 2.81Å; D12-K19 PolarHBondContact OD2-NZ 3.09Å; Q17-K19 HydrophobicContact CG-CD 4.44Å; Q17-K19 HydrophobicContact CG-CG 4.34Å; Q17-K19 VanDerWaalsContact NE2-CE 3.34Å; K19-V33 CarbonylContact C-O 3.37Å; K19-V33 VanDerWaalsContact CA-O 3.24Å; K19-V33 WeakPolarHBondContact CA-O 3.4Å; K19-A34 HydrophobicContact CG-CB 3.93Å; K19-H588 WeakPolarHBondContact CD-ND1 3.43Å; K19-A591 HydrophobicContact CB-CB 4.5Å
20C95.1Very high91.7Very high1 Ų130 Ų301%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-135.2138.6172.3-175.40000109.8L9 G10 F11 V32 V33L9-C20 WeakPolarHBondContact CD1-SG 3.34Å; G10-C20 CarbonylContact O-C 3.44Å; G10-C20 WeakPolarHBondContact O-CA 3.35Å; F11-C20 HydrophobicContact CD1-CB 3.83Å; F11-C20 HydrophobicContact CE1-CB 3.78Å; F11-C20 WeakPolarHBondContact CE1-SG 2.96Å; F11-C20 VanDerWaalsContact CZ-SG 3.59Å; C20-V32 CarbonylContact O-C 3.52Å; C20-V32 WeakPolarHBondContact O-CA 3.06Å; C20-V33 HydrophobicContact CB-CB 4.25Å; C20-V33 PolarHBondContact N-O 3.06Å; C20-V33 PolarHBondContact O-N 3.49Å
21V92.5Very high91.7Very high1 Ų132.2 Ų32.21%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-127.8123.2179175.20000108.7G10 T23 V29 V32 H588 A591 L592G10-V21 PolarHBondContact N-O 2.75Å; G10-V21 PolarHBondContact O-N 3.27Å; V21-T23 HydrophobicContact CG1-CG2 3.9Å; V21-V29 HydrophobicContact CG1-CB 4.33Å; V21-V29 HydrophobicContact CG1-CG1 3.92Å; V21-V29 HydrophobicContact CG1-CG2 3.75Å; V21-V32 HydrophobicContact CG2-CG1 4.42Å; V21-V32 HydrophobicContact CG2-CG2 4.33Å; V21-H588 HydrophobicContact CG2-CB 3.82Å; V21-A591 HydrophobicContact CB-CB 4.17Å; V21-A591 HydrophobicContact CG2-CB 3.61Å; V21-L592 HydrophobicContact CG1-CD1 4.35Å
22L94.6Very high91.6Very high0 Ų034.8 Ų34.80%018%0.184CC..EExtended strand (participates in β ladder)trans-99.6125.7170.9-175.2149.5000108.6Y7 L9 R30 H31 L75 F80 L82Y7-L22 HydrophobicContact CD1-CD2 3.56Å; Y7-L22 HydrophobicContact CD1-CG 4.48Å; Y7-L22 HydrophobicContact CD2-CD2 4.49Å; Y7-L22 HydrophobicContact CE1-CD2 4.08Å; Y7-L22 HydrophobicContact CG-CD1 4.43Å; Y7-L22 HydrophobicContact CG-CD2 3.81Å; Y7-L22 HydrophobicContact CG-CG 4.3Å; L9-L22 HydrophobicContact CD1-CB 3.73Å; L9-L22 HydrophobicContact CD1-CD1 4.26Å; L9-L22 HydrophobicContact CD1-CG 4.22Å; L22-R30 HydrophobicContact CD2-CB 3.88Å; L22-R30 HydrophobicContact CD2-CG 4.32Å; L22-R30 PolarHBondContact O-N 3.25Å; L22-H31 HydrophobicContact CB-CB 4.05Å; L22-H31 PolarHBondContact N-O 3.39Å; L22-H31 PolarHBondContact O-N 2.93Å; L22-L75 HydrophobicContact CB-CD2 4.43Å; L22-L75 HydrophobicContact CD1-CD2 4.23Å; L22-F80 HydrophobicContact CD1-CB 4.12Å; L22-F80 HydrophobicContact CD1-CG 4.41Å; L22-F80 HydrophobicContact CD2-CD1 4.08Å; L22-F80 HydrophobicContact CD2-CE1 4.41Å; L22-F80 HydrophobicContact CD2-CG 4.21Å; L22-L82 HydrophobicContact CD1-CD2 4.24Å
23T91.4Very high91.8Very high0 Ų034.8 Ų34.80%018%0.184CC..EExtended strand (participates in β ladder)trans-116.3151.5177.771.80000111.2Y7 Y8 V21 L27 A28 V29 L592 A595Y7-T23 CarbonylContact C-O 3.59Å; Y7-T23 WeakPolarHBondContact CA-O 3.32Å; Y8-T23 PolarHBondContact N-O 2.83Å; Y8-T23 PolarHBondContact O-N 3.08Å; Y8-T23 PolarHBondContact O-OG1 2.99Å; V21-T23 HydrophobicContact CG1-CG2 3.9Å; T23-L27 WeakPolarHBondContact OG1-CD2 3.49Å; T23-A28 CarbonylContact C-O 3.58Å; T23-A28 VanDerWaalsContact CA-O 3.22Å; T23-A28 WeakPolarHBondContact CA-O 3.27Å; T23-A28 WeakPolarHBondContact CB-O 3.49Å; T23-V29 HydrophobicContact CG2-CG2 4.37Å; T23-L592 HydrophobicContact CG2-CD1 3.55Å; T23-A595 HydrophobicContact CG2-CB 3.89Å
24D90.7Very high91.7Very high28 Ų2837.3 Ų37.315%0.1521%0.205CC..EExtended strand (participates in β ladder)trans-74.6-178166.567.426.2000111.8C6 S26 L27 A28 R30C6-D24 CarbonylContact O-C 3.51Å; D24-S26 PolarHBondContact O-N 3.42Å; D24-S26 VanDerWaalsContact OD1-CA 3.28Å; D24-S26 WeakPolarHBondContact OD1-CA 3.27Å; D24-S26 WeakPolarHBondContact OD1-CB 3.4Å; D24-S26 PolarHBondContact OD1-N 2.84Å; D24-S26 PolarHBondContact OD1-OG 3.25Å; D24-L27 WeakPolarHBondContact O-CA 3.27Å; D24-L27 PolarHBondContact O-N 3.17Å; D24-L27 PolarHBondContact OD1-N 2.88Å; D24-A28 PolarHBondContact N-O 3.47Å; D24-A28 PolarHBondContact OD1-N 2.83Å; D24-R30 HydrophobicContact CB-CG 3.93Å; D24-R30 IonicContact OD2-CZ 3.03Å; D24-R30 IonicContact OD2-NE 3.06Å; D24-R30 IonicContact OD2-NH1 2.75Å
25N88.2Confident92Very high27 Ų2738 Ų3814%0.14421%0.207CC..THydrogen-bonded Turntrans-61.8-25.7177.7-176.148.8000113.9Q3 C6 L27 K599Q3-N25 VanDerWaalsContact CD-ND2 3.31Å; Q3-N25 PolarHBondContact OE1-ND2 2.89Å; C6-N25 PolarHBondContact O-N 3.33Å; C6-N25 VanDerWaalsContact O-N 3.12Å; N25-L27 PolarHBondContact O-N 3.38Å; N25-K599 PolarHBondContact O-NZ 2.64Å; N25-K599 PolarHBondContact OD1-NZ 2.64Å
26S83.6Confident92.4Very high60 Ų6039.4 Ų39.442%0.4221%0.213SC..THydrogen-bonded Turntrans-79.72.8173.676.70000113.3D24 A28D24-S26 PolarHBondContact O-N 3.42Å; D24-S26 VanDerWaalsContact OD1-CA 3.28Å; D24-S26 WeakPolarHBondContact OD1-CA 3.27Å; D24-S26 WeakPolarHBondContact OD1-CB 3.4Å; D24-S26 PolarHBondContact OD1-N 2.84Å; D24-S26 PolarHBondContact OD1-OG 3.25Å; S26-A28 PolarHBondContact O-N 3.36Å
27L83.8Confident92.7Very high19 Ų1934 Ų3410%0.09919%0.188CC..  trans61.919.5-169.1-59.9177.6000113.6Y8 T23 D24 N25 V29 V390 F393 V596 K599Y8-L27 HydrophobicContact CD2-CD2 4.19Å; Y8-L27 HydrophobicContact CG-CD2 4.5Å; T23-L27 WeakPolarHBondContact OG1-CD2 3.49Å; D24-L27 WeakPolarHBondContact O-CA 3.27Å; D24-L27 PolarHBondContact O-N 3.17Å; D24-L27 PolarHBondContact OD1-N 2.88Å; N25-L27 PolarHBondContact O-N 3.38Å; L27-V29 PolarHBondContact O-N 3.46Å; L27-V390 HydrophobicContact CD1-CG1 4.33Å; L27-F393 HydrophobicContact CD1-CD2 3.56Å; L27-F393 HydrophobicContact CD1-CE2 3.96Å; L27-F393 HydrophobicContact CG-CD2 4.47Å; L27-V596 HydrophobicContact CD1-CB 4.39Å; L27-V596 HydrophobicContact CD1-CG1 4.48Å; L27-V596 HydrophobicContact CD1-CG2 3.85Å; L27-K599 HydrophobicContact CD1-CD 4.28Å; L27-K599 HydrophobicContact CD2-CB 4.12Å; L27-K599 HydrophobicContact CD2-CD 3.87Å; L27-K599 HydrophobicContact CG-CD 3.97Å
28A84.2Confident92.8Very high40 Ų4033.7 Ų33.733%0.33119%0.189SC..  trans-73.4130170.700000109.1T23 D24 S26 R30T23-A28 CarbonylContact C-O 3.58Å; T23-A28 VanDerWaalsContact CA-O 3.22Å; T23-A28 WeakPolarHBondContact CA-O 3.27Å; T23-A28 WeakPolarHBondContact CB-O 3.49Å; D24-A28 PolarHBondContact N-O 3.47Å; D24-A28 PolarHBondContact OD1-N 2.83Å; S26-A28 PolarHBondContact O-N 3.36Å; A28-R30 WeakPolarHBondContact O-CG 3.46Å; A28-R30 PolarHBondContact O-N 3.13Å
29V87.6Confident92.9Very high71 Ų7139.4 Ų39.443%0.4322%0.223SC..EExtended strand (participates in β ladder)trans-64.5126.7178.6174.80000109.7V21 T23 L27 V32 L592V21-V29 HydrophobicContact CG1-CB 4.33Å; V21-V29 HydrophobicContact CG1-CG1 3.92Å; V21-V29 HydrophobicContact CG1-CG2 3.75Å; T23-V29 HydrophobicContact CG2-CG2 4.37Å; L27-V29 PolarHBondContact O-N 3.46Å; V29-V32 HydrophobicContact CG1-CG2 3.46Å; V29-V32 VanDerWaalsContact CG1-CG2 3.46Å; V29-L592 HydrophobicContact CG2-CD1 4.12Å; V29-L592 HydrophobicContact CG2-CD2 4.2Å
30R92.9Very high93Very high139 Ų13939.7 Ų39.753%0.52523%0.232SC..EExtended strand (participates in β ladder)trans-113.2-29.8-179.5-48.7-62.1-89.1178.7-8.9112.6L22 D24 A28 F80L22-R30 HydrophobicContact CD2-CB 3.88Å; L22-R30 HydrophobicContact CD2-CG 4.32Å; L22-R30 PolarHBondContact O-N 3.25Å; D24-R30 HydrophobicContact CB-CG 3.93Å; D24-R30 IonicContact OD2-CZ 3.03Å; D24-R30 IonicContact OD2-NE 3.06Å; D24-R30 IonicContact OD2-NH1 2.75Å; A28-R30 WeakPolarHBondContact O-CG 3.46Å; A28-R30 PolarHBondContact O-N 3.13Å; R30-F80 HydrophobicContact CB-CE1 3.68Å; R30-F80 HydrophobicContact CB-CE2 4.48Å; R30-F80 HydrophobicContact CB-CZ 3.6Å; R30-F80 HydrophobicContact CG-CE1 4.48Å; R30-F80 WeakPolarHBondContact O-CZ 3.16Å
31H94.8Very high93.2Very high46 Ų4639.9 Ų39.921%0.21323%0.233CC..EExtended strand (participates in β ladder)trans-147.3144.6177.4-159.360.2000110.8L22 D74 F80L22-H31 HydrophobicContact CB-CB 4.05Å; L22-H31 PolarHBondContact N-O 3.39Å; L22-H31 PolarHBondContact O-N 2.93Å; H31-D74 IonicContact CD2-OD1 3.85Å; H31-D74 IonicContact CE1-OD1 3.73Å; H31-D74 IonicContact NE2-OD1 3.49Å; H31-D74 PolarHBondContact NE2-OD1 2.96Å; H31-F80 HydrophobicContact CB-CD2 3.97Å; H31-F80 HydrophobicContact CB-CE2 3.65Å; H31-F80 HydrophobicContact CB-CZ 4.46Å
32V94.2Very high93.4Very high54 Ų5443.7 Ų43.733%0.32726%0.258SS..EExtended strand (participates in β ladder)trans-134.6131.4177-177.80000109C20 V21 V29C20-V32 CarbonylContact O-C 3.52Å; C20-V32 WeakPolarHBondContact O-CA 3.06Å; V21-V32 HydrophobicContact CG2-CG1 4.42Å; V21-V32 HydrophobicContact CG2-CG2 4.33Å; V29-V32 HydrophobicContact CG1-CG2 3.46Å; V29-V32 VanDerWaalsContact CG1-CG2 3.46Å
33V96.4Very high93.6Very high6 Ų649.5 Ų49.54%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-119.6137.9174.1-167.20000108.8K19 C20 I35 A71 D74 L75K19-V33 CarbonylContact C-O 3.37Å; K19-V33 VanDerWaalsContact CA-O 3.24Å; K19-V33 WeakPolarHBondContact CA-O 3.4Å; C20-V33 HydrophobicContact CB-CB 4.25Å; C20-V33 PolarHBondContact N-O 3.06Å; C20-V33 PolarHBondContact O-N 3.49Å; V33-I35 HydrophobicContact CG1-CD1 3.89Å; V33-I35 HydrophobicContact CG1-CG1 4.28Å; V33-A71 HydrophobicContact CG1-CB 4.06Å; V33-D74 HydrophobicContact CG1-CB 3.93Å; V33-D74 HydrophobicContact CG2-CB 4.19Å; V33-D74 WeakPolarHBondContact CG2-OD1 3.12Å; V33-L75 HydrophobicContact CG2-CD2 4.4Å; V33-L75 HydrophobicContact CG2-CG 4.29Å
34A96.1Very high93.9Very high54 Ų5450.6 Ų50.645%0.44629%0.291SS..EExtended strand (participates in β ladder)trans-138.4115.2175.300000110L18 K19L18-A34 CarbonylContact O-C 3.54Å; L18-A34 WeakPolarHBondContact O-CA 3.4Å; K19-A34 HydrophobicContact CG-CB 3.93Å
35I97.9Very high94.1Very high22 Ų2259.6 Ų59.611%0.11332%0.323CS..EExtended strand (participates in β ladder)trans-107.198.4-180-51.6-56.9000108.3Q17 L18 V33 A40 A67 L70 A71Q17-I35 CarbonylContact C-O 3.03Å; Q17-I35 WeakPolarHBondContact CA-O 3.32Å; Q17-I35 VanDerWaalsContact CB-O 3.22Å; Q17-I35 WeakPolarHBondContact CB-O 3.34Å; L18-I35 PolarHBondContact N-O 3.46Å; L18-I35 PolarHBondContact O-N 3.18Å; V33-I35 HydrophobicContact CG1-CD1 3.89Å; V33-I35 HydrophobicContact CG1-CG1 4.28Å; I35-A40 HydrophobicContact CG2-CB 3.73Å; I35-A67 HydrophobicContact CB-CB 4.39Å; I35-A67 HydrophobicContact CG2-CB 4.02Å; I35-L70 HydrophobicContact CD1-CB 3.99Å; I35-L70 HydrophobicContact CG1-CB 4.13Å; I35-L70 HydrophobicContact CG2-CB 4.3Å; I35-L70 HydrophobicContact CG2-CD1 3.85Å; I35-A71 HydrophobicContact CG1-CB 4.07Å
36N97.9Very high94.6Very high53 Ų5359.1 Ų59.128%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-72.6126.5172.4-178-70.3000110.3D38 V39 A40N36-D38 PolarHBondContact OD1-N 3.48Å; N36-D38 VanDerWaalsContact OD1-N 3.15Å; N36-V39 HydrophobicContact CB-CB 4.26Å; N36-V39 HydrophobicContact CB-CG2 4.38Å; N36-V39 PolarHBondContact OD1-N 2.97Å; N36-A40 VanDerWaalsContact O-CB 3.24Å; N36-A40 WeakPolarHBondContact O-CB 3.28Å; N36-A40 PolarHBondContact O-N 3.43Å
37Y98.3Very high95.1Very high0 Ų060.5 Ų60.50%033%0.331CS..Hα-helixtrans-67.1-45.5-171.2-56.2-34.4000113.3L13 G14 T15 Q16 Q17 L18 V39 L41 M63 A67L13-Y37 WeakPolarHBondContact CD1-OH 3.19Å; G14-Y37 WeakPolarHBondContact O-CE2 3.46Å; G14-Y37 PolarHBondContact O-OH 3.37Å; G14-Y37 VanDerWaalsContact O-OH 3.06Å; T15-Y37 WeakPolarHBondContact O-CD2 3.38Å; T15-Y37 VanDerWaalsContact O-CE2 3.24Å; T15-Y37 WeakPolarHBondContact O-CE2 3.4Å; Q16-Y37 VanDerWaalsContact C-CE2 3.43Å; Q16-Y37 VanDerWaalsContact O-CD2 3.31Å; Q16-Y37 WeakPolarHBondContact O-CD2 3.2Å; Q16-Y37 PolarHBondContact O-N 3.45Å; Q17-Y37 VanDerWaalsContact N-CE2 3.28Å; Q17-Y37 PolarHBondContact O-OH 3.18Å; L18-Y37 HydrophobicContact CB-CE1 4.06Å; L18-Y37 VanDerWaalsContact N-CE1 3.28Å; L18-Y37 PolarHBondContact N-OH 3.4Å; Y37-V39 VanDerWaalsContact C-N 3.26Å; Y37-V39 PolarHBondContact O-N 3.36Å; Y37-L41 CarbonylContact O-C 3.18Å; Y37-L41 VanDerWaalsContact O-CA 3.29Å; Y37-L41 WeakPolarHBondContact O-CA 3.36Å; Y37-L41 WeakPolarHBondContact O-CB 3.28Å; Y37-L41 PolarHBondContact O-N 3.19Å; Y37-M63 HydrophobicContact CD1-CG 4.39Å; Y37-M63 HydrophobicContact CD2-CE 3.57Å; Y37-M63 HydrophobicContact CD2-SD 4.23Å; Y37-M63 HydrophobicContact CE2-CE 4.03Å; Y37-M63 HydrophobicContact CG-CE 3.86Å; Y37-M63 HydrophobicContact CG-CG 4.28Å; Y37-M63 HydrophobicContact CG-SD 3.97Å; Y37-A67 HydrophobicContact CD1-CB 3.92Å; Y37-A67 HydrophobicContact CE1-CB 3.55Å
38D97.9Very high95.5Very high52 Ų5260.8 Ų60.828%0.27834%0.339SS..Hα-helixtrans-68.7-30.4-175.7-59.5-16.8000111.5N36 T46 G48 G49N36-D38 PolarHBondContact OD1-N 3.48Å; N36-D38 VanDerWaalsContact OD1-N 3.15Å; D38-T46 VanDerWaalsContact OD1-C 3.29Å; D38-T46 VanDerWaalsContact OD1-CB 3.29Å; D38-T46 WeakPolarHBondContact OD1-CB 3.36Å; D38-T46 PolarHBondContact OD1-OG1 2.78Å; D38-G48 WeakPolarHBondContact OD2-CA 3.46Å; D38-G48 PolarHBondContact OD2-N 3.21Å; D38-G49 PolarHBondContact OD1-N 2.88Å; D38-G49 PolarHBondContact OD2-N 2.92Å
39V98Very high96Very high119 Ų11958.9 Ų58.972%0.72132%0.323SS*.Hα-helixtrans-82.9-51.4178.7177.40000111.8N36 Y37N36-V39 HydrophobicContact CB-CB 4.26Å; N36-V39 HydrophobicContact CB-CG2 4.38Å; N36-V39 PolarHBondContact OD1-N 2.97Å; Y37-V39 VanDerWaalsContact C-N 3.26Å; Y37-V39 PolarHBondContact O-N 3.36Å
40A97.9Very high96.5Very high41 Ų4155.9 Ų55.934%0.33930%0.304SS..Hα-helixtrans-83.4-24.5-172.600000113I35 N36 P42 L70I35-A40 HydrophobicContact CG2-CB 3.73Å; N36-A40 VanDerWaalsContact O-CB 3.24Å; N36-A40 WeakPolarHBondContact O-CB 3.28Å; N36-A40 PolarHBondContact O-N 3.43Å; A40-P42 VanDerWaalsContact C-CD 3.4Å; A40-L70 HydrophobicContact CB-CD1 4.11Å
41L98.3Very high96.6Very high6 Ų653.4 Ų53.43%0.03130%0.295CS..  trans-130.951.7-173.9-56.3171.2000112.4Y37 M43 F44 M63 K66 A67 L70Y37-L41 CarbonylContact O-C 3.18Å; Y37-L41 VanDerWaalsContact O-CA 3.29Å; Y37-L41 WeakPolarHBondContact O-CA 3.36Å; Y37-L41 WeakPolarHBondContact O-CB 3.28Å; Y37-L41 PolarHBondContact O-N 3.19Å; L41-M43 WeakPolarHBondContact CA-SD 3.47Å; L41-M43 HydrophobicContact CB-SD 3.81Å; L41-M43 HydrophobicContact CD2-SD 4.11Å; L41-M43 PolarHBondContact O-N 2.89Å; L41-F44 HydrophobicContact CB-CD2 3.84Å; L41-F44 HydrophobicContact CB-CE2 4.24Å; L41-F44 HydrophobicContact CD1-CE2 4.5Å; L41-F44 PolarHBondContact O-N 3.34Å; L41-F44 VanDerWaalsContact O-N 3.13Å; L41-M63 HydrophobicContact CB-CG 4.46Å; L41-M63 HydrophobicContact CD1-CG 3.8Å; L41-M63 VanDerWaalsContact CD1-O 3.32Å; L41-M63 WeakPolarHBondContact CD1-O 3.31Å; L41-K66 HydrophobicContact CD1-CB 4.04Å; L41-K66 HydrophobicContact CD2-CB 3.85Å; L41-K66 HydrophobicContact CD2-CD 4.47Å; L41-A67 HydrophobicContact CD1-CB 3.93Å; L41-L70 HydrophobicContact CD2-CD1 3.76Å; L41-L70 HydrophobicContact CG-CD1 4.23Å
42P97.6Very high96.6Very high81 Ų8156.8 Ų56.853%0.52631%0.314SS..G310 helixtrans-62.3-19.4-174.127.3-36.5000113.3A40 F44 R45A40-P42 VanDerWaalsContact C-CD 3.4Å; P42-F44 PolarHBondContact O-N 3.4Å; P42-F44 VanDerWaalsContact O-N 3.15Å; P42-R45 PolarHBondContact O-N 2.93Å
43M97.5Very high96.5Very high121 Ų12160 Ų6060%0.59633%0.329SS*.G310 helixtrans-60.7-21.6177.172.1-73.7-75.100113.6L41 R45L41-M43 WeakPolarHBondContact CA-SD 3.47Å; L41-M43 HydrophobicContact CB-SD 3.81Å; L41-M43 HydrophobicContact CD2-SD 4.11Å; L41-M43 PolarHBondContact O-N 2.89Å; M43-R45 VanDerWaalsContact C-N 3.33Å
44F97.4Very high96.2Very high23 Ų2362.7 Ų62.710%0.10136%0.357CS..G310 helixtrans-81.6-9.6176.8-71-78.2000114.2L41 P42 T46 R51 P60 L62 M63 K66L41-F44 HydrophobicContact CB-CD2 3.84Å; L41-F44 HydrophobicContact CB-CE2 4.24Å; L41-F44 HydrophobicContact CD1-CE2 4.5Å; L41-F44 PolarHBondContact O-N 3.34Å; L41-F44 VanDerWaalsContact O-N 3.13Å; P42-F44 PolarHBondContact O-N 3.4Å; P42-F44 VanDerWaalsContact O-N 3.15Å; F44-T46 VanDerWaalsContact C-N 3.31Å; F44-T46 HydrophobicContact CB-CG2 4.36Å; F44-T46 PolarHBondContact O-N 3.43Å; F44-R51 PolarHBondContact O-NE 3.48Å; F44-R51 VanDerWaalsContact O-NE 3.1Å; F44-R51 PolarHBondContact O-NH2 3.33Å; F44-P60 HydrophobicContact CB-CG 4.23Å; F44-P60 HydrophobicContact CD1-CB 3.58Å; F44-P60 HydrophobicContact CD1-CG 3.9Å; F44-P60 HydrophobicContact CE1-CB 4.05Å; F44-P60 HydrophobicContact CG-CB 4.41Å; F44-P60 HydrophobicContact CG-CG 4.41Å; F44-L62 HydrophobicContact CE1-CB 3.8Å; F44-L62 HydrophobicContact CZ-CB 3.9Å; F44-M63 HydrophobicContact CB-CB 4.37Å; F44-M63 HydrophobicContact CB-CG 4.35Å; F44-M63 HydrophobicContact CB-SD 4.13Å; F44-M63 HydrophobicContact CD1-CB 3.93Å; F44-M63 HydrophobicContact CD2-CB 3.67Å; F44-M63 HydrophobicContact CD2-CG 3.78Å; F44-M63 HydrophobicContact CE1-CB 4.07Å; F44-M63 HydrophobicContact CE2-CB 3.81Å; F44-M63 HydrophobicContact CE2-CG 4.22Å; F44-M63 HydrophobicContact CG-CB 3.71Å; F44-M63 HydrophobicContact CG-CG 4.05Å; F44-M63 HydrophobicContact CG-SD 4.43Å; F44-M63 HydrophobicContact CZ-CB 4.01Å; F44-K66 HydrophobicContact CE2-CD 3.9Å; F44-K66 HydrophobicContact CZ-CD 3.97Å
45R97Very high95.8Very high217 Ų21762 Ų6282%0.81935%0.352SS*.  trans54.444.4176.3-54.4-179.8-175.2175.20.4112.9P42 M43P42-R45 PolarHBondContact O-N 2.93Å; M43-R45 VanDerWaalsContact C-N 3.33Å
46T97.4Very high95.6Very high17 Ų1764.5 Ų64.510%0.10436%0.363CS..  trans-88.2158.917449.30000111.5D38 F44 V50 R51 P60 M63D38-T46 VanDerWaalsContact OD1-C 3.29Å; D38-T46 VanDerWaalsContact OD1-CB 3.29Å; D38-T46 WeakPolarHBondContact OD1-CB 3.36Å; D38-T46 PolarHBondContact OD1-OG1 2.78Å; F44-T46 VanDerWaalsContact C-N 3.31Å; F44-T46 HydrophobicContact CB-CG2 4.36Å; F44-T46 PolarHBondContact O-N 3.43Å; T46-V50 WeakPolarHBondContact CA-O 3.44Å; T46-R51 HydrophobicContact CG2-CG 4.29Å; T46-P60 HydrophobicContact CG2-CG 4.45Å; T46-M63 HydrophobicContact CG2-CE 4.32Å; T46-M63 HydrophobicContact CG2-SD 3.64Å
47S95.3Very high95.3Very high89 Ų8962.8 Ų62.862%0.62235%0.353SS*.BIsolated β-bridgetrans-131.1120.3166.7-175.10000108.1G49 V50S47-G49 PolarHBondContact O-N 3.49Å; S47-V50 PolarHBondContact N-O 2.88Å; S47-V50 WeakPolarHBondContact O-CG2 3.29Å; S47-V50 PolarHBondContact O-N 3.41Å
48G91.5Very high95.3Very high26 Ų2664 Ų6427%0.26836%0.361SS..THydrogen-bonded Turntrans62.828.9-166.600000112.7Q16 D38 V50Q16-G48 WeakPolarHBondContact CG-O 3.18Å; D38-G48 WeakPolarHBondContact OD2-CA 3.46Å; D38-G48 PolarHBondContact OD2-N 3.21Å; G48-V50 VanDerWaalsContact C-N 3.28Å; G48-V50 PolarHBondContact O-N 3.17Å
49G95.2Very high95.3Very high0 Ų061.5 Ų61.50%035%0.348CS..THydrogen-bonded Turntrans74.510.2-178.300000115.7T15 D38 S47 M63T15-G49 WeakPolarHBondContact O-CA 3.39Å; D38-G49 PolarHBondContact OD1-N 2.88Å; D38-G49 PolarHBondContact OD2-N 2.92Å; S47-G49 PolarHBondContact O-N 3.49Å; G49-M63 WeakPolarHBondContact O-CE 3.42Å
50V96.3Very high95.3Very high7 Ų756.1 Ų56.14%0.04232%0.315CS..BIsolated β-bridgetrans-132.6164.9179.4-64.40000113.4T15 T46 S47 G48 I52 I57 T58 A59 V132 M134T15-V50 HydrophobicContact CG2-CG1 3.88Å; T46-V50 WeakPolarHBondContact CA-O 3.44Å; S47-V50 PolarHBondContact N-O 2.88Å; S47-V50 WeakPolarHBondContact O-CG2 3.29Å; S47-V50 PolarHBondContact O-N 3.41Å; G48-V50 VanDerWaalsContact C-N 3.28Å; G48-V50 PolarHBondContact O-N 3.17Å; V50-I52 HydrophobicContact CG2-CG1 4.15Å; V50-I57 HydrophobicContact CB-CG2 3.86Å; V50-I57 HydrophobicContact CG1-CG2 4.27Å; V50-I57 HydrophobicContact CG2-CG2 3.89Å; V50-T58 CarbonylContact C-O 3.6Å; V50-T58 VanDerWaalsContact CA-O 3.32Å; V50-T58 WeakPolarHBondContact CA-O 3.44Å; V50-T58 WeakPolarHBondContact CB-O 3.35Å; V50-A59 HydrophobicContact CG1-CB 4.47Å; V50-V132 HydrophobicContact CG1-CG2 3.9Å; V50-M134 HydrophobicContact CB-CE 3.89Å; V50-M134 HydrophobicContact CG1-CE 3.2Å; V50-M134 HydrophobicContact CG2-CE 3.52Å
51R97Very high95.3Very high87 Ų8754.2 Ų54.233%0.32830%0.299SS..EExtended strand (participates in β ladder)trans-108.7129.7167.5-65177.6178.4173-6.5108.4F44 T46 I57 T58 D129F44-R51 PolarHBondContact O-NE 3.48Å; F44-R51 VanDerWaalsContact O-NE 3.1Å; F44-R51 PolarHBondContact O-NH2 3.33Å; T46-R51 HydrophobicContact CG2-CG 4.29Å; R51-I57 WeakPolarHBondContact O-CA 3.39Å; R51-T58 PolarHBondContact N-O 3.37Å; R51-T58 PolarHBondContact O-N 3.18Å; R51-D129 WeakPolarHBondContact CD-OD1 3.5Å; R51-D129 IonicContact CZ-OD1 2.78Å; R51-D129 IonicContact NE-OD1 2.75Å; R51-D129 IonicContact NH1-OD1 3.31Å; R51-D129 PolarHBondContact NH1-OD1 2.74Å; R51-D129 IonicContact NH1-OD2 3.51Å; R51-D129 PolarHBondContact NH1-OD2 3.25Å; R51-D129 VanDerWaalsContact NH1-OD2 3.15Å
52I92.8Very high95.3Very high118 Ų11856.2 Ų56.261%0.60531%0.31SS*.EExtended strand (participates in β ladder)trans-110.4121.3-176.3-58.9171.4000108.2V50 I57V50-I52 HydrophobicContact CG2-CG1 4.15Å; I52-I57 HydrophobicContact CG1-CG2 4.33Å; I52-I57 HydrophobicContact CG2-CG1 4.47Å
53N92.9Very high95.4Very high122 Ų12252.3 Ų52.365%0.65229%0.285SS*.EExtended strand (participates in β ladder)trans-132.283.1173.9-175.122.7000109.9A55 E56N53-A55 PolarHBondContact O-N 2.91Å; N53-E56 CarbonylContact C-O 2.99Å; N53-E56 PolarHBondContact N-O 3.1Å; N53-E56 PolarHBondContact O-N 3.11Å; N53-E56 VanDerWaalsContact O-N 3.1Å
54G89.8Confident95.4Very high61 Ų6146.7 Ų46.763%0.62926%0.257SS*.THydrogen-bonded Turntrans63-124.1-17300000111.3E56G54-E56 VanDerWaalsContact C-N 3.3Å
55A88Confident95.5Very high39 Ų3945.6 Ų45.632%0.32225%0.252SS..THydrogen-bonded Turntrans-79.5-13.517700000113.8N53 H136N53-A55 PolarHBondContact O-N 2.91Å; A55-H136 WeakPolarHBondContact CA-NE2 3.45Å; A55-H136 PolarHBondContact O-N 2.88Å; A55-H136 VanDerWaalsContact O-N 3.12Å
56E92.9Very high95.6Very high75 Ų7538.5 Ų38.535%0.3523%0.227SC..EExtended strand (participates in β ladder)trans-86121.3177.8-55-166.8162.200109.9N53 G54 D135 K174N53-E56 CarbonylContact C-O 2.99Å; N53-E56 PolarHBondContact N-O 3.1Å; N53-E56 PolarHBondContact O-N 3.11Å; N53-E56 VanDerWaalsContact O-N 3.1Å; G54-E56 VanDerWaalsContact C-N 3.3Å; E56-D135 VanDerWaalsContact CA-OD2 3.27Å; E56-D135 WeakPolarHBondContact CA-OD2 3.3Å; E56-K174 VanDerWaalsContact OE1-CE 3.27Å; E56-K174 WeakPolarHBondContact OE1-CE 3.32Å; E56-K174 IonicContact OE1-NZ 2.74Å; E56-K174 PolarHBondContact OE1-NZ 2.85Å; E56-K174 IonicContact OE2-NZ 3.48Å
57I93.5Very high95.6Very high17 Ų1737.7 Ų37.79%0.08722%0.222CC..EExtended strand (participates in β ladder)trans-129.5117.9-179.1-53.5-174.6000108.9V50 R51 I52 V132 M134 D135V50-I57 HydrophobicContact CB-CG2 3.86Å; V50-I57 HydrophobicContact CG1-CG2 4.27Å; V50-I57 HydrophobicContact CG2-CG2 3.89Å; R51-I57 WeakPolarHBondContact O-CA 3.39Å; I52-I57 HydrophobicContact CG1-CG2 4.33Å; I52-I57 HydrophobicContact CG2-CG1 4.47Å; I57-V132 HydrophobicContact CB-CG2 4.4Å; I57-V132 HydrophobicContact CG2-CG2 3.86Å; I57-V132 WeakPolarHBondContact O-CG2 3.47Å; I57-V132 PolarHBondContact O-N 3.44Å; I57-M134 HydrophobicContact CB-CB 4.22Å; I57-M134 HydrophobicContact CD1-CB 3.93Å; I57-M134 HydrophobicContact CG2-CB 3.96Å; I57-M134 HydrophobicContact CG2-CE 4.05Å; I57-D135 PolarHBondContact N-OD2 3.44Å
58T97.4Very high95.8Very high25 Ų2533.5 Ų33.515%0.15319%0.193CC..EExtended strand (participates in β ladder)trans-129.6167.1-171.561.60000111.8V50 R51 D129 S130V50-T58 CarbonylContact C-O 3.6Å; V50-T58 VanDerWaalsContact CA-O 3.32Å; V50-T58 WeakPolarHBondContact CA-O 3.44Å; V50-T58 WeakPolarHBondContact CB-O 3.35Å; R51-T58 PolarHBondContact N-O 3.37Å; R51-T58 PolarHBondContact O-N 3.18Å; T58-D129 HydrophobicContact CG2-CB 4.38Å; T58-S130 CarbonylContact C-O 3.58Å; T58-S130 WeakPolarHBondContact CA-O 3.25Å; T58-S130 VanDerWaalsContact CB-O 3.28Å; T58-S130 WeakPolarHBondContact CB-O 3.21Å
59A98Very high96.1Very high1 Ų133 Ų331%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-134.2142.7168.900000110.3V50 V61 M63 W64 S130 V132V50-A59 HydrophobicContact CG1-CB 4.47Å; A59-V61 PolarHBondContact O-N 2.85Å; A59-M63 HydrophobicContact CB-CE 4.16Å; A59-W64 HydrophobicContact CB-CH2 4.33Å; A59-W64 HydrophobicContact CB-CZ2 3.47Å; A59-W64 VanDerWaalsContact CB-CZ2 3.47Å; A59-S130 PolarHBondContact N-O 2.89Å; A59-S130 PolarHBondContact O-N 3.24Å; A59-V132 HydrophobicContact CB-CG1 3.67Å
60P98.3Very high96.3Very high5 Ų536.2 Ų36.23%0.03220%0.2CC..EExtended strand (participates in β ladder)trans-67.9127.9177.9-22.535.7000111.9F44 T46 L62 M63 S128F44-P60 HydrophobicContact CB-CG 4.23Å; F44-P60 HydrophobicContact CD1-CB 3.58Å; F44-P60 HydrophobicContact CD1-CG 3.9Å; F44-P60 HydrophobicContact CE1-CB 4.05Å; F44-P60 HydrophobicContact CG-CB 4.41Å; F44-P60 HydrophobicContact CG-CG 4.41Å; T46-P60 HydrophobicContact CG2-CG 4.45Å; P60-L62 VanDerWaalsContact C-N 3.3Å; P60-L62 PolarHBondContact O-N 3.49Å; P60-M63 HydrophobicContact CB-CB 4.06Å; P60-M63 VanDerWaalsContact O-CB 3.27Å; P60-M63 WeakPolarHBondContact O-CB 3.33Å; P60-M63 PolarHBondContact O-N 3.22Å; P60-M63 VanDerWaalsContact O-N 3.09Å; P60-S128 CarbonylContact C-O 3.57Å; P60-S128 WeakPolarHBondContact CA-O 3.41Å
61V98Very high96.4Very high1 Ų135.9 Ų35.91%0.00620%0.198CC..Hα-helixtrans-62.2-40.2-179.7-177.80000111.4A59 M63 W64 I65 V98 F125 S128 S130 F266A59-V61 PolarHBondContact O-N 2.85Å; V61-M63 PolarHBondContact O-N 2.87Å; V61-W64 HydrophobicContact CB-CE3 4.44Å; V61-W64 HydrophobicContact CG1-CE3 4.34Å; V61-W64 HydrophobicContact CG2-CE3 4.47Å; V61-W64 HydrophobicContact CG2-CZ3 4.22Å; V61-W64 WeakPolarHBondContact O-CB 3.46Å; V61-W64 PolarHBondContact O-N 3.36Å; V61-W64 VanDerWaalsContact O-N 3.12Å; V61-I65 PolarHBondContact O-N 2.9Å; V61-V98 HydrophobicContact CG1-CG1 4.18Å; V61-V98 HydrophobicContact CG1-CG2 4.47Å; V61-V98 HydrophobicContact CG2-CG1 4.39Å; V61-V98 HydrophobicContact CG2-CG2 4.36Å; V61-F125 HydrophobicContact CB-CD2 4.4Å; V61-F125 HydrophobicContact CB-CE2 4.49Å; V61-F125 HydrophobicContact CB-CG 4.46Å; V61-F125 HydrophobicContact CG1-CD1 3.95Å; V61-F125 HydrophobicContact CG1-CD2 4.13Å; V61-F125 HydrophobicContact CG1-CE1 3.65Å; V61-F125 HydrophobicContact CG1-CE2 3.83Å; V61-F125 HydrophobicContact CG1-CG 4.19Å; V61-F125 HydrophobicContact CG1-CZ 3.61Å; V61-S128 PolarHBondContact N-O 3.41Å; V61-S130 WeakPolarHBondContact CG2-OG 3.26Å; V61-F266 HydrophobicContact CG1-CE1 4.36Å; V61-F266 HydrophobicContact CG1-CE2 3.77Å; V61-F266 HydrophobicContact CG1-CZ 3.59Å
62L98.2Very high96.4Very high48 Ų4831.7 Ų31.725%0.25118%0.182SC..Hα-helixtrans-63.1-25.3177.6-77.3-178.3000113.6F44 P60 I65 K66 A118 K122 F125F44-L62 HydrophobicContact CE1-CB 3.8Å; F44-L62 HydrophobicContact CZ-CB 3.9Å; P60-L62 VanDerWaalsContact C-N 3.3Å; P60-L62 PolarHBondContact O-N 3.49Å; L62-I65 HydrophobicContact CD2-CD1 4.18Å; L62-I65 PolarHBondContact O-N 3.1Å; L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 WeakPolarHBondContact O-CG 3.24Å; L62-K66 PolarHBondContact O-N 2.83Å; L62-A118 HydrophobicContact CD2-CB 4.45Å; L62-K122 HydrophobicContact CD1-CB 4Å; L62-K122 HydrophobicContact CD2-CB 4.28Å; L62-F125 HydrophobicContact CD2-CE2 4.44Å
63M98.6Very high96.7Very high0 Ų028.8 Ų28.80%017%0.168CC..Hα-helixtrans-67.4-42174.8-179.7-173.973.400110.6Y37 L41 F44 T46 G49 A59 P60 V61 I65 K66 A67Y37-M63 HydrophobicContact CD1-CG 4.39Å; Y37-M63 HydrophobicContact CD2-CE 3.57Å; Y37-M63 HydrophobicContact CD2-SD 4.23Å; Y37-M63 HydrophobicContact CE2-CE 4.03Å; Y37-M63 HydrophobicContact CG-CE 3.86Å; Y37-M63 HydrophobicContact CG-CG 4.28Å; Y37-M63 HydrophobicContact CG-SD 3.97Å; L41-M63 HydrophobicContact CB-CG 4.46Å; L41-M63 HydrophobicContact CD1-CG 3.8Å; L41-M63 VanDerWaalsContact CD1-O 3.32Å; L41-M63 WeakPolarHBondContact CD1-O 3.31Å; F44-M63 HydrophobicContact CB-CB 4.37Å; F44-M63 HydrophobicContact CB-CG 4.35Å; F44-M63 HydrophobicContact CB-SD 4.13Å; F44-M63 HydrophobicContact CD1-CB 3.93Å; F44-M63 HydrophobicContact CD2-CB 3.67Å; F44-M63 HydrophobicContact CD2-CG 3.78Å; F44-M63 HydrophobicContact CE1-CB 4.07Å; F44-M63 HydrophobicContact CE2-CB 3.81Å; F44-M63 HydrophobicContact CE2-CG 4.22Å; F44-M63 HydrophobicContact CG-CB 3.71Å; F44-M63 HydrophobicContact CG-CG 4.05Å; F44-M63 HydrophobicContact CG-SD 4.43Å; F44-M63 HydrophobicContact CZ-CB 4.01Å; T46-M63 HydrophobicContact CG2-CE 4.32Å; T46-M63 HydrophobicContact CG2-SD 3.64Å; G49-M63 WeakPolarHBondContact O-CE 3.42Å; A59-M63 HydrophobicContact CB-CE 4.16Å; P60-M63 HydrophobicContact CB-CB 4.06Å; P60-M63 VanDerWaalsContact O-CB 3.27Å; P60-M63 WeakPolarHBondContact O-CB 3.33Å; P60-M63 PolarHBondContact O-N 3.22Å; P60-M63 VanDerWaalsContact O-N 3.09Å; V61-M63 PolarHBondContact O-N 2.87Å; M63-I65 PolarHBondContact O-N 3.44Å; M63-K66 PolarHBondContact O-N 3.26Å; M63-A67 WeakPolarHBondContact O-CB 3.32Å; M63-A67 PolarHBondContact O-N 2.82Å
64W98.6Very high96.9Very high2 Ų226.3 Ų26.31%0.00816%0.155CC..Hα-helixtrans-63.1-41.5175.5-58.7-32.1000112L13 A59 V61 A67 L68 Q93 V98 V132 V263 F266L13-W64 HydrophobicContact CD1-CB 3.85Å; L13-W64 HydrophobicContact CD1-CG 3.94Å; L13-W64 HydrophobicContact CD2-CB 4.07Å; L13-W64 HydrophobicContact CD2-CG 4.21Å; L13-W64 HydrophobicContact CG-CG 4.42Å; A59-W64 HydrophobicContact CB-CH2 4.33Å; A59-W64 HydrophobicContact CB-CZ2 3.47Å; A59-W64 VanDerWaalsContact CB-CZ2 3.47Å; V61-W64 HydrophobicContact CB-CE3 4.44Å; V61-W64 HydrophobicContact CG1-CE3 4.34Å; V61-W64 HydrophobicContact CG2-CE3 4.47Å; V61-W64 HydrophobicContact CG2-CZ3 4.22Å; V61-W64 WeakPolarHBondContact O-CB 3.46Å; V61-W64 PolarHBondContact O-N 3.36Å; V61-W64 VanDerWaalsContact O-N 3.12Å; W64-A67 PolarHBondContact O-N 2.84Å; W64-L68 PolarHBondContact O-N 3.4Å; W64-Q93 VanDerWaalsContact CZ2-NE2 3.32Å; W64-V98 HydrophobicContact CE3-CG2 4.39Å; W64-V98 HydrophobicContact CZ3-CG2 3.73Å; W64-V132 HydrophobicContact CH2-CG1 4.48Å; W64-V132 HydrophobicContact CZ2-CG1 4.07Å; W64-V263 HydrophobicContact CE3-CG1 4.37Å; W64-V263 HydrophobicContact CH2-CG1 4.38Å; W64-V263 HydrophobicContact CH2-CG2 3.89Å; W64-V263 HydrophobicContact CZ2-CG2 4.47Å; W64-V263 HydrophobicContact CZ3-CG1 4.29Å; W64-V263 HydrophobicContact CZ3-CG2 4.21Å; W64-F266 HydrophobicContact CB-CE1 4.3Å; W64-F266 HydrophobicContact CE3-CD1 4.43Å; W64-F266 HydrophobicContact CE3-CE1 4.13Å
65I98.6Very high97.2Very high0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-63.2-47.7176.3-60-179.1000110.7V61 L62 M63 A67 L68 E69 L117 A118 L121 F125 F266 L270V61-I65 PolarHBondContact O-N 2.9Å; L62-I65 HydrophobicContact CD2-CD1 4.18Å; L62-I65 PolarHBondContact O-N 3.1Å; M63-I65 PolarHBondContact O-N 3.44Å; I65-A67 VanDerWaalsContact C-N 3.31Å; I65-A67 PolarHBondContact O-N 2.83Å; I65-L68 WeakPolarHBondContact O-CB 3.25Å; I65-L68 PolarHBondContact O-N 3.41Å; I65-L68 VanDerWaalsContact O-N 3.15Å; I65-E69 WeakPolarHBondContact O-CG 3.48Å; I65-E69 PolarHBondContact O-N 3.07Å; I65-L117 HydrophobicContact CG2-CB 3.51Å; I65-L117 HydrophobicContact CG2-CD1 4.49Å; I65-A118 HydrophobicContact CG2-CB 4.06Å; I65-L121 HydrophobicContact CD1-CB 4.26Å; I65-L121 HydrophobicContact CD1-CD1 4.28Å; I65-F125 HydrophobicContact CD1-CE2 3.85Å; I65-F125 HydrophobicContact CD1-CZ 3.74Å; I65-F266 HydrophobicContact CD1-CZ 4.04Å; I65-F266 HydrophobicContact CG1-CZ 3.72Å; I65-L270 HydrophobicContact CD1-CD2 4.49Å; I65-L270 HydrophobicContact CG1-CD1 4.13Å
66K98.5Very high97.7Very high69 Ų6926.6 Ų26.630%0.313%0.132SC..Hα-helixtrans-63.2-36.7177.6-75.7-167.5170.3-64.90112.6L41 F44 L62 M63 L68 E69 L70 A118L41-K66 HydrophobicContact CD1-CB 4.04Å; L41-K66 HydrophobicContact CD2-CB 3.85Å; L41-K66 HydrophobicContact CD2-CD 4.47Å; F44-K66 HydrophobicContact CE2-CD 3.9Å; F44-K66 HydrophobicContact CZ-CD 3.97Å; L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 WeakPolarHBondContact O-CG 3.24Å; L62-K66 PolarHBondContact O-N 2.83Å; M63-K66 PolarHBondContact O-N 3.26Å; K66-L68 VanDerWaalsContact C-N 3.32Å; K66-E69 PolarHBondContact O-N 3.48Å; K66-L70 WeakPolarHBondContact O-CG 3.38Å; K66-L70 PolarHBondContact O-N 3Å; K66-A118 HydrophobicContact CG-CB 3.81Å
67A98.6Very high97.8Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-65.7-36.9175.100000112.2L18 I35 Y37 L41 M63 W64 I65 A71L18-A67 HydrophobicContact CB-CB 3.98Å; I35-A67 HydrophobicContact CB-CB 4.39Å; I35-A67 HydrophobicContact CG2-CB 4.02Å; Y37-A67 HydrophobicContact CD1-CB 3.92Å; Y37-A67 HydrophobicContact CE1-CB 3.55Å; L41-A67 HydrophobicContact CD1-CB 3.93Å; M63-A67 WeakPolarHBondContact O-CB 3.32Å; M63-A67 PolarHBondContact O-N 2.82Å; W64-A67 PolarHBondContact O-N 2.84Å; I65-A67 VanDerWaalsContact C-N 3.31Å; I65-A67 PolarHBondContact O-N 2.83Å; A67-A71 PolarHBondContact O-N 3.39Å; A67-A71 VanDerWaalsContact O-N 3.08Å
68L98.6Very high97.9Very high1 Ų129.8 Ų29.81%0.00515%0.153CC..Hα-helixtrans-64.2-45.4173173.663.6000111.3F11 L18 W64 I65 K66 L70 A71 L72 L117 L267 L270 F271F11-L68 HydrophobicContact CD1-CD1 4.19Å; F11-L68 HydrophobicContact CE1-CD1 3.76Å; F11-L68 HydrophobicContact CZ-CD1 4.4Å; L18-L68 HydrophobicContact CD1-CB 3.97Å; L18-L68 HydrophobicContact CD1-CD1 4.37Å; W64-L68 PolarHBondContact O-N 3.4Å; I65-L68 WeakPolarHBondContact O-CB 3.25Å; I65-L68 PolarHBondContact O-N 3.41Å; I65-L68 VanDerWaalsContact O-N 3.15Å; K66-L68 VanDerWaalsContact C-N 3.32Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-L70 PolarHBondContact O-N 3.33Å; L68-A71 PolarHBondContact O-N 2.79Å; L68-L72 HydrophobicContact CD1-CD1 3.89Å; L68-L72 HydrophobicContact CD1-CG 4.01Å; L68-L72 HydrophobicContact CD2-CD1 4.46Å; L68-L72 HydrophobicContact CG-CD1 3.83Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CG 3.21Å; L68-L72 PolarHBondContact O-N 3.48Å; L68-L117 HydrophobicContact CD2-CD1 4.25Å; L68-L267 HydrophobicContact CD1-CD1 4.27Å; L68-L267 HydrophobicContact CD2-CD1 3.77Å; L68-L267 HydrophobicContact CG-CD1 4.48Å; L68-L270 HydrophobicContact CD2-CB 4.31Å; L68-L270 HydrophobicContact CD2-CD1 3.75Å; L68-F271 HydrophobicContact CD1-CE2 4.21Å; L68-F271 HydrophobicContact CD1-CZ 3.68Å; L68-F271 HydrophobicContact CD2-CZ 4.45Å
69E98.5Very high97.7Very high15 Ų1536.7 Ų36.77%0.0719%0.189CC..Hα-helixtrans-56.6-48.5176.3-70170.8159.200111.4I65 K66 A71 L72 D73 S116 L117 A118I65-E69 WeakPolarHBondContact O-CG 3.48Å; I65-E69 PolarHBondContact O-N 3.07Å; K66-E69 PolarHBondContact O-N 3.48Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.19Å; E69-L72 PolarHBondContact O-N 3.04Å; E69-D73 WeakPolarHBondContact O-CB 3.28Å; E69-D73 VanDerWaalsContact O-CG 3.26Å; E69-D73 PolarHBondContact O-N 3.23Å; E69-S116 WeakPolarHBondContact OE1-CB 3.22Å; E69-L117 WeakPolarHBondContact OE1-CA 3.21Å; E69-L117 WeakPolarHBondContact OE1-CB 3.1Å; E69-L117 PolarHBondContact OE1-N 3.19Å; E69-A118 PolarHBondContact OE1-N 3.44Å
70L98.5Very high97.6Very high67 Ų6738.9 Ų38.935%0.35120%0.198SC..Hα-helixtrans-59.3-40.5177-70.3175.5000112.4I35 A40 L41 K66 L68 D73 D74I35-L70 HydrophobicContact CD1-CB 3.99Å; I35-L70 HydrophobicContact CG1-CB 4.13Å; I35-L70 HydrophobicContact CG2-CB 4.3Å; I35-L70 HydrophobicContact CG2-CD1 3.85Å; A40-L70 HydrophobicContact CB-CD1 4.11Å; L41-L70 HydrophobicContact CD2-CD1 3.76Å; L41-L70 HydrophobicContact CG-CD1 4.23Å; K66-L70 WeakPolarHBondContact O-CG 3.38Å; K66-L70 PolarHBondContact O-N 3Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-L70 PolarHBondContact O-N 3.33Å; L70-D73 PolarHBondContact O-N 3.46Å; L70-D74 PolarHBondContact O-N 2.92Å
71A98.2Very high97.4Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-69.5-35.9177.600000113L18 V33 I35 A67 L68 E69 L75L18-A71 HydrophobicContact CD2-CB 3.4Å; V33-A71 HydrophobicContact CG1-CB 4.06Å; I35-A71 HydrophobicContact CG1-CB 4.07Å; A67-A71 PolarHBondContact O-N 3.39Å; A67-A71 VanDerWaalsContact O-N 3.08Å; L68-A71 PolarHBondContact O-N 2.79Å; E69-A71 VanDerWaalsContact C-N 3.31Å; E69-A71 PolarHBondContact O-N 3.19Å; A71-L75 WeakPolarHBondContact O-CG 3.47Å; A71-L75 PolarHBondContact O-N 2.97Å
72L98.3Very high97.4Very high0 Ų042.4 Ų42.40%022%0.217CC..Hα-helixtrans-72.6-35.4175.7-68.9169000112.1F11 L68 E69 L75 K76 F271 F362 Y366 F368F11-L72 HydrophobicContact CZ-CD2 4.23Å; L68-L72 HydrophobicContact CD1-CD1 3.89Å; L68-L72 HydrophobicContact CD1-CG 4.01Å; L68-L72 HydrophobicContact CD2-CD1 4.46Å; L68-L72 HydrophobicContact CG-CD1 3.83Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CG 3.21Å; L68-L72 PolarHBondContact O-N 3.48Å; E69-L72 PolarHBondContact O-N 3.04Å; L72-L75 HydrophobicContact CD2-CD1 4.33Å; L72-L75 PolarHBondContact O-N 3.1Å; L72-K76 VanDerWaalsContact O-CB 3.29Å; L72-K76 WeakPolarHBondContact O-CB 3.44Å; L72-K76 PolarHBondContact O-N 3.05Å; L72-F271 HydrophobicContact CD2-CE1 4.29Å; L72-F362 HydrophobicContact CD1-CD1 3.96Å; L72-F362 HydrophobicContact CD1-CE1 3.63Å; L72-Y366 HydrophobicContact CB-CD1 3.76Å; L72-Y366 HydrophobicContact CB-CD2 4.46Å; L72-Y366 HydrophobicContact CB-CE1 3.39Å; L72-Y366 HydrophobicContact CB-CE2 4.15Å; L72-Y366 HydrophobicContact CB-CG 4.29Å; L72-Y366 HydrophobicContact CD1-CD2 4.26Å; L72-Y366 HydrophobicContact CD1-CE2 3.82Å; L72-F368 HydrophobicContact CD2-CE2 4.12Å; L72-F368 HydrophobicContact CD2-CZ 4.22Å
73D98Very high97.3Very high57 Ų5742.7 Ų42.731%0.30522%0.223SC..Hα-helixtrans-64.6-41.6173.5-71.5-22.2000110.7E69 L70 K76 N77 Y366E69-D73 WeakPolarHBondContact O-CB 3.28Å; E69-D73 VanDerWaalsContact O-CG 3.26Å; E69-D73 PolarHBondContact O-N 3.23Å; L70-D73 PolarHBondContact O-N 3.46Å; D73-K76 PolarHBondContact O-N 2.84Å; D73-N77 WeakPolarHBondContact O-CB 3.08Å; D73-N77 VanDerWaalsContact O-CG 3.25Å; D73-N77 PolarHBondContact O-N 3.49Å; D73-N77 PolarHBondContact O-ND2 3.37Å; D73-Y366 VanDerWaalsContact OD1-CE1 3.32Å; D73-Y366 WeakPolarHBondContact OD1-CE1 3.34Å
74D98Very high97.2Very high69 Ų6946.3 Ų46.337%0.36924%0.239SC..Hα-helixtrans-59.5-50.2172.2-176.1-81000111.6H31 V33 L70 K76 N77 S78H31-D74 IonicContact CD2-OD1 3.85Å; H31-D74 IonicContact CE1-OD1 3.73Å; H31-D74 IonicContact NE2-OD1 3.49Å; H31-D74 PolarHBondContact NE2-OD1 2.96Å; V33-D74 HydrophobicContact CG1-CB 3.93Å; V33-D74 HydrophobicContact CG2-CB 4.19Å; V33-D74 WeakPolarHBondContact CG2-OD1 3.12Å; L70-D74 PolarHBondContact O-N 2.92Å; D74-K76 VanDerWaalsContact C-N 3.34Å; D74-K76 PolarHBondContact O-N 3.38Å; D74-N77 CarbonylContact O-C 3.53Å; D74-N77 PolarHBondContact O-N 3.05Å; D74-N77 VanDerWaalsContact O-N 3.16Å; D74-S78 PolarHBondContact O-N 3.05Å
75L97.1Very high97.2Very high1 Ų146.2 Ų46.21%0.00524%0.238CC..Hα-helixtrans-58.6-43.3177.4-76.6167.9000112.6L9 L22 V33 A71 L72 N77 S78 L82L9-L75 HydrophobicContact CD1-CD1 4.1Å; L9-L75 HydrophobicContact CD1-CD2 4.22Å; L9-L75 HydrophobicContact CD2-CD1 3.95Å; L22-L75 HydrophobicContact CB-CD2 4.43Å; L22-L75 HydrophobicContact CD1-CD2 4.23Å; V33-L75 HydrophobicContact CG2-CD2 4.4Å; V33-L75 HydrophobicContact CG2-CG 4.29Å; A71-L75 WeakPolarHBondContact O-CG 3.47Å; A71-L75 PolarHBondContact O-N 2.97Å; L72-L75 HydrophobicContact CD2-CD1 4.33Å; L72-L75 PolarHBondContact O-N 3.1Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.31Å; L75-S78 VanDerWaalsContact O-CB 3.3Å; L75-S78 WeakPolarHBondContact O-CB 3.39Å; L75-S78 PolarHBondContact O-N 2.91Å; L75-S78 PolarHBondContact O-OG 3.36Å; L75-L82 HydrophobicContact CB-CD1 4.18Å; L75-L82 HydrophobicContact CB-CD2 4.28Å
76K96.5Very high97.1Very high106 Ų10649.6 Ų49.646%0.46126%0.256SS..Hα-helixtrans-64.8-35.2178.4-178.2-175175.5174.40112.3L72 D73 D74 S78 R365 Y366L72-K76 VanDerWaalsContact O-CB 3.29Å; L72-K76 WeakPolarHBondContact O-CB 3.44Å; L72-K76 PolarHBondContact O-N 3.05Å; D73-K76 PolarHBondContact O-N 2.84Å; D74-K76 VanDerWaalsContact C-N 3.34Å; D74-K76 PolarHBondContact O-N 3.38Å; K76-S78 VanDerWaalsContact C-N 3.31Å; K76-R365 WeakPolarHBondContact CE-O 3.47Å; K76-R365 PolarHBondContact NZ-O 2.82Å; K76-Y366 HydrophobicContact CB-CD1 4.11Å; K76-Y366 HydrophobicContact CD-CD1 4Å
77N96.6Very high96.9Very high134 Ų13446.3 Ų46.372%0.71724%0.242SC*.Hα-helixtrans-87.5-0.9178.5-65.6-37000113D73 D74 L75D73-N77 WeakPolarHBondContact O-CB 3.08Å; D73-N77 VanDerWaalsContact O-CG 3.25Å; D73-N77 PolarHBondContact O-N 3.49Å; D73-N77 PolarHBondContact O-ND2 3.37Å; D74-N77 CarbonylContact O-C 3.53Å; D74-N77 PolarHBondContact O-N 3.05Å; D74-N77 VanDerWaalsContact O-N 3.16Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.31Å
78S94.8Very high96.8Very high25 Ų2546.3 Ų46.318%0.17524%0.242CC..SBendtrans-75171.7173.982.20000111.7D74 L75 K76 F80D74-S78 PolarHBondContact O-N 3.05Å; L75-S78 VanDerWaalsContact O-CB 3.3Å; L75-S78 WeakPolarHBondContact O-CB 3.39Å; L75-S78 PolarHBondContact O-N 2.91Å; L75-S78 PolarHBondContact O-OG 3.36Å; K76-S78 VanDerWaalsContact C-N 3.31Å; S78-F80 PolarHBondContact O-N 2.96Å; S78-F80 PolarHBondContact OG-N 3.4Å
79N93.8Very high96.6Very high170 Ų17046.2 Ų46.291%0.90924%0.241SC*.SBendtrans-78.76.7175.1-66.4-29000113.6
80F94.5Very high96.3Very high46 Ų4645.5 Ų45.520%0.20224%0.238CC..SBendtrans-98.9129.5-176.7-62.5-78.8000111.7Y7 L22 R30 H31 S78 L82Y7-F80 HydrophobicContact CE1-CD1 4.1Å; Y7-F80 HydrophobicContact CE2-CB 4.48Å; Y7-F80 HydrophobicContact CE2-CD1 4.31Å; Y7-F80 AromaticContact CZ-CD1 3.78Å; L22-F80 HydrophobicContact CD1-CB 4.12Å; L22-F80 HydrophobicContact CD1-CG 4.41Å; L22-F80 HydrophobicContact CD2-CD1 4.08Å; L22-F80 HydrophobicContact CD2-CE1 4.41Å; L22-F80 HydrophobicContact CD2-CG 4.21Å; R30-F80 HydrophobicContact CB-CE1 3.68Å; R30-F80 HydrophobicContact CB-CE2 4.48Å; R30-F80 HydrophobicContact CB-CZ 3.6Å; R30-F80 HydrophobicContact CG-CE1 4.48Å; R30-F80 WeakPolarHBondContact O-CZ 3.16Å; H31-F80 HydrophobicContact CB-CD2 3.97Å; H31-F80 HydrophobicContact CB-CE2 3.65Å; H31-F80 HydrophobicContact CB-CZ 4.46Å; S78-F80 PolarHBondContact O-N 2.96Å; S78-F80 PolarHBondContact OG-N 3.4Å; F80-L82 PolarHBondContact O-N 2.84Å
81D95.7Very high96Very high74 Ų7442.3 Ų42.340%0.39622%0.221SC..  trans-76.1104.2175.3179.73.1000110.9S83 K84D81-S83 PolarHBondContact O-N 3.22Å; D81-S83 WeakPolarHBondContact OD1-CB 2.96Å; D81-S83 PolarHBondContact OD1-N 3.05Å; D81-S83 PolarHBondContact OD1-OG 3.5Å; D81-S83 PolarHBondContact OD2-OG 3.49Å; D81-K84 HydrophobicContact CB-CD 4.43Å; D81-K84 HydrophobicContact CB-CG 4.22Å; D81-K84 WeakPolarHBondContact O-CB 3.41Å; D81-K84 PolarHBondContact O-N 3.42Å
82L96.7Very high95.8Very high6 Ų642.3 Ų42.33%0.03122%0.221CC..G310 helixtrans-64.8-15.6-179.9-63-175.3000113.5L22 L75 F80 K84 V85 Y366 G367 F368L22-L82 HydrophobicContact CD1-CD2 4.24Å; L75-L82 HydrophobicContact CB-CD1 4.18Å; L75-L82 HydrophobicContact CB-CD2 4.28Å; F80-L82 PolarHBondContact O-N 2.84Å; L82-K84 PolarHBondContact O-N 3.27Å; L82-V85 HydrophobicContact CD2-CG2 4.12Å; L82-V85 PolarHBondContact O-N 3.36Å; L82-V85 VanDerWaalsContact O-N 3.16Å; L82-Y366 WeakPolarHBondContact CD1-O 3.4Å; L82-G367 CarbonylContact C-O 3.51Å; L82-F368 HydrophobicContact CD1-CD2 4.45Å; L82-F368 HydrophobicContact CD1-CE2 3.92Å; L82-F368 HydrophobicContact CD1-CZ 4.13Å
83S96.9Very high95.4Very high54 Ų5442.3 Ų42.338%0.37822%0.221SC..G310 helixtrans-66.5-17.9173.179.60000112.3D81 G367 S369D81-S83 PolarHBondContact O-N 3.22Å; D81-S83 WeakPolarHBondContact OD1-CB 2.96Å; D81-S83 PolarHBondContact OD1-N 3.05Å; D81-S83 PolarHBondContact OD1-OG 3.5Å; D81-S83 PolarHBondContact OD2-OG 3.49Å; S83-G367 VanDerWaalsContact CA-O 3.32Å; S83-G367 WeakPolarHBondContact CA-O 3.39Å; S83-G367 PolarHBondContact N-O 3.38Å; S83-S369 VanDerWaalsContact O-CB 3.26Å; S83-S369 WeakPolarHBondContact O-CB 3.39Å
84K97.1Very high94.9Very high76 Ų7639.9 Ų39.933%0.3321%0.208SC..G310 helixtrans-90.51.3176.7-53.1-168.8-171.9175.90114.1D5 C6 Y7 D81 L82 L86D5-K84 HydrophobicContact CB-CD 4.15Å; D5-K84 WeakPolarHBondContact O-CB 3.17Å; D5-K84 WeakPolarHBondContact O-CD 3.26Å; D5-K84 IonicContact OD2-NZ 2.77Å; C6-K84 WeakPolarHBondContact CA-O 3.46Å; Y7-K84 HydrophobicContact CD2-CB 3.78Å; Y7-K84 HydrophobicContact CE2-CB 3.95Å; Y7-K84 HydrophobicContact CE2-CD 4.35Å; Y7-K84 PolarHBondContact N-O 3.32Å; D81-K84 HydrophobicContact CB-CD 4.43Å; D81-K84 HydrophobicContact CB-CG 4.22Å; D81-K84 WeakPolarHBondContact O-CB 3.41Å; D81-K84 PolarHBondContact O-N 3.42Å; L82-K84 PolarHBondContact O-N 3.27Å; K84-L86 PolarHBondContact O-N 3.43Å
85V97.1Very high94.5Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-73.1114.7171.7-179.10000109.1Y7 L9 L82 F368 C372Y7-V85 WeakPolarHBondContact O-CA 3.46Å; L9-V85 HydrophobicContact CB-CG1 4.08Å; L82-V85 HydrophobicContact CD2-CG2 4.12Å; L82-V85 PolarHBondContact O-N 3.36Å; L82-V85 VanDerWaalsContact O-N 3.16Å; V85-F368 HydrophobicContact CB-CD1 4.03Å; V85-F368 HydrophobicContact CB-CE1 4.06Å; V85-F368 HydrophobicContact CG1-CD1 4.32Å; V85-F368 HydrophobicContact CG1-CE1 4.08Å; V85-F368 HydrophobicContact CG2-CD1 4.37Å; V85-F368 HydrophobicContact CG2-CE1 4.06Å; V85-C372 WeakPolarHBondContact O-CB 3.49Å
86L96.2Very high94.3Very high71 Ų7137.2 Ų37.237%0.37219%0.194SC..EExtended strand (participates in β ladder)trans-84.7-37.3-178.2-62.4-177.8000112.5C6 Y7 Y8 K84 C372 R373 L602C6-L86 HydrophobicContact CB-CD1 3.51Å; C6-L86 HydrophobicContact CB-CD2 4.39Å; C6-L86 HydrophobicContact CB-CG 3.74Å; Y7-L86 PolarHBondContact O-N 2.7Å; Y8-L86 HydrophobicContact CE1-CB 4.24Å; K84-L86 PolarHBondContact O-N 3.43Å; L86-C372 WeakPolarHBondContact O-CA 3.43Å; L86-R373 PolarHBondContact O-N 3.4Å; L86-L602 HydrophobicContact CB-CD1 3.71Å
87A95.9Very high94.2Very high0 Ų032.2 Ų32.20%017%0.172CC..EExtended strand (participates in β ladder)trans-152155.917600000112Y8 L9 R373 A598 L602Y8-A87 HydrophobicContact CD1-CB 4.26Å; Y8-A87 HydrophobicContact CE1-CB 4.5Å; L9-A87 PolarHBondContact N-O 3.13Å; L9-A87 VanDerWaalsContact N-O 3.12Å; A87-R373 CarbonylContact C-O 3.58Å; A87-R373 WeakPolarHBondContact CA-O 3.15Å; A87-R373 HydrophobicContact CB-CB 4.11Å; A87-R373 WeakPolarHBondContact CB-O 3.3Å; A87-A598 HydrophobicContact CB-CB 3.85Å; A87-L602 HydrophobicContact CB-CD1 3.77Å; A87-L602 HydrophobicContact CB-CD2 4.09Å; A87-L602 HydrophobicContact CB-CG 3.77Å
88L97Very high94.2Very high0 Ų025.8 Ų25.80%014%0.138CC..EExtended strand (participates in β ladder)trans-132.4152.2171.368.184.4000111.8L9 F271 I358 F368 R373 V374 V375 F377L9-L88 HydrophobicContact CB-CB 3.84Å; L9-L88 WeakPolarHBondContact O-CA 3.48Å; L88-F271 HydrophobicContact CD1-CB 4.24Å; L88-F271 HydrophobicContact CD1-CD1 4.16Å; L88-F271 HydrophobicContact CD1-CD2 3.88Å; L88-F271 HydrophobicContact CD1-CE2 4.26Å; L88-F271 HydrophobicContact CD1-CG 3.83Å; L88-F271 HydrophobicContact CD2-CD1 3.82Å; L88-F271 HydrophobicContact CD2-CE1 3.97Å; L88-F271 HydrophobicContact CD2-CG 4.32Å; L88-I358 HydrophobicContact CD2-CD1 3.73Å; L88-F368 HydrophobicContact CD2-CE1 4.29Å; L88-R373 PolarHBondContact N-O 2.99Å; L88-V374 HydrophobicContact CD1-CB 4.36Å; L88-V374 HydrophobicContact CD1-CG1 3.93Å; L88-V374 HydrophobicContact CD1-CG2 4.1Å; L88-V374 HydrophobicContact CG-CG2 4.27Å; L88-V375 PolarHBondContact O-N 3.36Å; L88-F377 HydrophobicContact CD1-CE2 3.85Å; L88-F377 HydrophobicContact CD1-CZ 3.91Å
89S94.2Very high94.1Very high0 Ų024.7 Ų24.70%013%0.13CC..EExtended strand (participates in β ladder)trans-151.8-171.1168.1-157.60000109.2L9 G10 F11 V375 V376 F377 G594 R597L9-S89 PolarHBondContact O-N 3.29Å; G10-S89 WeakPolarHBondContact CA-O 3.4Å; F11-S89 PolarHBondContact N-O 3.08Å; S89-V375 PolarHBondContact OG-O 2.94Å; S89-V376 PolarHBondContact OG-O 3.15Å; S89-F377 VanDerWaalsContact C-CZ 3.43Å; S89-G594 VanDerWaalsContact CB-O 3.29Å; S89-G594 WeakPolarHBondContact CB-O 2.92Å; S89-R597 PolarHBondContact OG-NH1 3.27Å
90G92.2Very high94Very high0 Ų016.6 Ų16.60%09%0.086CC..EExtended strand (participates in β ladder)trans-177.1-175.7174.100000115F11 F377 T378 R597F11-G90 CarbonylContact O-C 3.59Å; F11-G90 WeakPolarHBondContact O-CA 3.31Å; G90-F377 VanDerWaalsContact C-CD1 3.48Å; G90-F377 VanDerWaalsContact CA-CD1 3.4Å; G90-F377 VanDerWaalsContact CA-CE1 3.47Å; G90-F377 WeakPolarHBondContact O-CA 3.03Å; G90-F377 WeakPolarHBondContact O-CB 3.11Å; G90-T378 PolarHBondContact O-N 3.25Å; G90-R597 PolarHBondContact O-NH1 2.99Å
91A90.9Very high93.8Very high0 Ų018.1 Ų18.10%09%0.093CC..EExtended strand (participates in β ladder)trans-116.7155.4178.300000110F11 D12 L13 T378 D380 C383 A590F11-A91 PolarHBondContact O-N 3.29Å; D12-A91 WeakPolarHBondContact CA-O 3.39Å; D12-A91 HydrophobicContact CB-CB 4.37Å; L13-A91 PolarHBondContact N-O 3.25Å; A91-T378 CarbonylContact C-O 3.41Å; A91-T378 VanDerWaalsContact CA-O 3.26Å; A91-T378 WeakPolarHBondContact CA-O 2.99Å; A91-D380 HydrophobicContact CB-CB 4.31Å; A91-C383 HydrophobicContact CB-CB 3.61Å; A91-A590 HydrophobicContact CB-CB 3.78Å
92A93.5Very high93.3Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-145.1162162.200000110.8L13 Q94 V263 T378 G379 D380L13-A92 HydrophobicContact CB-CB 3.99Å; L13-A92 CarbonylContact O-C 3.54Å; L13-A92 VanDerWaalsContact O-CA 3.27Å; L13-A92 WeakPolarHBondContact O-CA 3.45Å; A92-Q94 PolarHBondContact O-N 2.95Å; A92-V263 HydrophobicContact CB-CB 3.86Å; A92-V263 HydrophobicContact CB-CG1 3.74Å; A92-T378 PolarHBondContact N-O 3.12Å; A92-T378 VanDerWaalsContact N-O 3.12Å; A92-G379 CarbonylContact O-C 3.48Å; A92-D380 PolarHBondContact O-N 3.23Å
93Q90.4Very high92.9Very high0 Ų020.3 Ų20.30%012%0.12CC..  trans-51.5129.8171.162.5177.4-31.900110.6L13 T15 W64 V263L13-Q93 PolarHBondContact O-N 2.82Å; T15-Q93 PolarHBondContact OG1-OE1 3.42Å; W64-Q93 VanDerWaalsContact CZ2-NE2 3.32Å; Q93-V263 HydrophobicContact CG-CB 4.4Å; Q93-V263 HydrophobicContact CG-CG1 4.35Å; Q93-V263 HydrophobicContact CG-CG2 4.16Å
94Q87Confident92.6Very high6 Ų617.8 Ų17.83%0.02810%0.103CC..SBendtrans-69.5165.2-175.7-52.2-159.6-9700112.4A92 G96 D282 D380 N381A92-Q94 PolarHBondContact O-N 2.95Å; Q94-G96 PolarHBondContact O-N 3.16Å; Q94-D282 WeakPolarHBondContact CG-OD1 3.39Å; Q94-D282 PolarHBondContact NE2-OD1 3.09Å; Q94-D380 VanDerWaalsContact CG-OD1 3.3Å; Q94-D380 WeakPolarHBondContact CG-OD1 3.42Å; Q94-N381 PolarHBondContact OE1-ND2 3.32Å
95H90.1Very high92.3Very high13 Ų1318.5 Ų18.56%0.0611%0.107CC..SBendtrans68.3-29.1170.6-39.6-64.8000116.9R166 F167 T168 G285H95-R166 HydrophobicContact CB-CG 4.49Å; H95-R166 VanDerWaalsContact CB-O 3.23Å; H95-R166 WeakPolarHBondContact CB-O 3.29Å; H95-R166 PolarHBondContact NE2-NE 2.89Å; H95-F167 AromaticContact CE1-CD1 3.76Å; H95-F167 AromaticContact CE1-CE1 3.43Å; H95-F167 VanDerWaalsContact CE1-CE1 3.43Å; H95-F167 WeakPolarHBondContact CE1-CE1 3.49Å; H95-F167 AromaticContact CE1-CZ 4Å; H95-F167 AromaticContact ND1-CD1 3.76Å; H95-F167 AromaticContact ND1-CE1 3.9Å; H95-T168 PolarHBondContact O-OG1 2.97Å; H95-G285 PolarHBondContact ND1-O 3.49Å
96G93.5Very high92Very high1 Ų124.6 Ų24.61%0.0114%0.136CC..  trans-59.4146.517700000111.4Q94 P131 L262 V263Q94-G96 PolarHBondContact O-N 3.16Å; G96-P131 WeakPolarHBondContact CA-O 3.49Å; G96-L262 WeakPolarHBondContact O-CA 3.28Å; G96-L262 WeakPolarHBondContact O-CD2 3.47Å; G96-V263 WeakPolarHBondContact O-CG2 3.19Å; G96-V263 PolarHBondContact O-N 3.13Å; G96-V263 VanDerWaalsContact O-N 3.14Å
97S94.8Very high92Very high0 Ų022.7 Ų22.70%013%0.13CC..EExtended strand (participates in β ladder)trans-133.8138.5-17245.70000113.2Y99 S130 P131 S261S97-Y99 WeakPolarHBondContact O-CE2 3.28Å; S97-Y99 WeakPolarHBondContact OG-CE2 3.4Å; S97-Y99 PolarHBondContact OG-OH 3.19Å; S97-S130 WeakPolarHBondContact O-CB 3.4Å; S97-S130 PolarHBondContact O-OG 3.48Å; S97-P131 PolarHBondContact N-O 3.28Å; S97-P131 WeakPolarHBondContact OG-CG 3.42Å; S97-S261 CarbonylContact C-O 3.07Å; S97-S261 VanDerWaalsContact CA-O 3.22Å; S97-S261 WeakPolarHBondContact CA-O 3.35Å
98V95.2Very high92Very high0 Ų022.8 Ų22.80%013%0.13CC..EExtended strand (participates in β ladder)trans-109.9135.8177178.70000109.8V61 W64 F125 I260 S261 F266V61-V98 HydrophobicContact CG1-CG1 4.18Å; V61-V98 HydrophobicContact CG1-CG2 4.47Å; V61-V98 HydrophobicContact CG2-CG1 4.39Å; V61-V98 HydrophobicContact CG2-CG2 4.36Å; W64-V98 HydrophobicContact CE3-CG2 4.39Å; W64-V98 HydrophobicContact CZ3-CG2 3.73Å; V98-F125 HydrophobicContact CG1-CD1 3.67Å; V98-F125 HydrophobicContact CG1-CE1 3.73Å; V98-I260 WeakPolarHBondContact O-CA 3.48Å; V98-S261 PolarHBondContact N-O 2.86Å; V98-S261 PolarHBondContact O-N 3.14Å; V98-F266 HydrophobicContact CB-CB 4.21Å; V98-F266 HydrophobicContact CB-CD2 4.05Å; V98-F266 HydrophobicContact CB-CG 4.23Å; V98-F266 HydrophobicContact CG1-CD2 3.72Å; V98-F266 HydrophobicContact CG1-CE2 4.12Å; V98-F266 HydrophobicContact CG1-CG 4.39Å; V98-F266 HydrophobicContact CG2-CB 3.9Å; V98-F266 HydrophobicContact CG2-CD1 4.21Å; V98-F266 HydrophobicContact CG2-CD2 3.88Å; V98-F266 HydrophobicContact CG2-CE2 4.5Å; V98-F266 HydrophobicContact CG2-CG 3.72Å
99Y92.6Very high91.9Very high1 Ų125.9 Ų25.90%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-112.397.1-172-64.3-97.3000108.9S97 F125 A126 T127 P131 L172 K175 T186 I260S97-Y99 WeakPolarHBondContact O-CE2 3.28Å; S97-Y99 WeakPolarHBondContact OG-CE2 3.4Å; S97-Y99 PolarHBondContact OG-OH 3.19Å; Y99-F125 CarbonylContact O-C 3.5Å; Y99-F125 WeakPolarHBondContact O-CA 3.41Å; Y99-A126 PolarHBondContact O-N 3.15Å; Y99-T127 HydrophobicContact CD2-CG2 3.88Å; Y99-T127 HydrophobicContact CG-CG2 4.25Å; Y99-P131 HydrophobicContact CE2-CG 4.24Å; Y99-L172 HydrophobicContact CE1-CD2 3.47Å; Y99-L172 VanDerWaalsContact CE1-CD2 3.47Å; Y99-L172 WeakPolarHBondContact OH-CD2 3.21Å; Y99-K175 HydrophobicContact CE1-CB 4.15Å; Y99-K175 HydrophobicContact CE1-CD 4.5Å; Y99-K175 HydrophobicContact CE1-CG 3.69Å; Y99-K175 WeakPolarHBondContact OH-CG 3.42Å; Y99-T186 HydrophobicContact CD1-CG2 4.05Å; Y99-T186 HydrophobicContact CG-CG2 4.31Å; Y99-I260 HydrophobicContact CD1-CG1 4.12Å; Y99-I260 HydrophobicContact CE1-CG1 4.28Å
100W92.3Very high92Very high0 Ų030.7 Ų30.70%018%0.182CC..BIsolated β-bridgetrans-74.5131-178-62.597.9000110.5A104 L108 F125 T186 E187 R259 S261 F266 T269 L270 Y275W100-A104 HydrophobicContact CB-CB 4.2Å; W100-A104 HydrophobicContact CE3-CB 3.81Å; W100-L108 HydrophobicContact CE3-CD1 4.44Å; W100-L108 HydrophobicContact CH2-CD1 4.02Å; W100-L108 HydrophobicContact CH2-CD2 4.21Å; W100-L108 HydrophobicContact CZ3-CD1 3.96Å; W100-L108 HydrophobicContact CZ3-CD2 4.34Å; W100-L108 HydrophobicContact CZ3-CG 4.38Å; W100-F125 HydrophobicContact CD2-CE1 4.2Å; W100-F125 HydrophobicContact CE3-CD1 4.09Å; W100-F125 AromaticContact CE3-CE1 3.57Å; W100-F125 HydrophobicContact CE3-CE1 3.57Å; W100-F125 HydrophobicContact CE3-CZ 4.38Å; W100-F125 AromaticContact CH2-CE1 3.96Å; W100-F125 HydrophobicContact CH2-CE1 3.96Å; W100-F125 HydrophobicContact CH2-CZ 4.37Å; W100-F125 HydrophobicContact CZ3-CD1 4.38Å; W100-F125 AromaticContact CZ3-CE1 3.44Å; W100-F125 HydrophobicContact CZ3-CE1 3.44Å; W100-F125 VanDerWaalsContact CZ3-CE1 3.44Å; W100-F125 AromaticContact CZ3-CZ 3.87Å; W100-F125 HydrophobicContact CZ3-CZ 3.87Å; W100-T186 CarbonylContact O-C 3.46Å; W100-T186 WeakPolarHBondContact O-CA 2.9Å; W100-T186 WeakPolarHBondContact O-CB 3.03Å; W100-E187 PolarHBondContact O-N 3.09Å; W100-R259 HydrophobicContact CB-CB 4.27Å; W100-R259 HydrophobicContact CB-CG 4.45Å; W100-R259 HydrophobicContact CG-CG 4.39Å; W100-R259 PolarHBondContact N-O 3.04Å; W100-S261 PolarHBondContact NE1-OG 3.36Å; W100-F266 AromaticContact CH2-CD2 3.78Å; W100-F266 HydrophobicContact CH2-CD2 3.78Å; W100-F266 AromaticContact CH2-CE2 3.8Å; W100-F266 HydrophobicContact CH2-CE2 3.8Å; W100-F266 AromaticContact CZ2-CD2 3.41Å; W100-F266 HydrophobicContact CZ2-CD2 3.41Å; W100-F266 VanDerWaalsContact CZ2-CD2 3.41Å; W100-F266 AromaticContact CZ2-CE2 3.94Å; W100-F266 HydrophobicContact CZ2-CE2 3.94Å; W100-F266 HydrophobicContact CZ2-CG 4.49Å; W100-T269 HydrophobicContact CH2-CG2 3.82Å; W100-T269 HydrophobicContact CZ2-CG2 3.52Å; W100-L270 HydrophobicContact CH2-CD2 4.32Å; W100-Y275 HydrophobicContact CB-CE1 4.16Å; W100-Y275 WeakPolarHBondContact CB-OH 3.37Å; W100-Y275 AromaticContact CD1-CE1 3.83Å; W100-Y275 HydrophobicContact CD2-CD1 4.46Å; W100-Y275 AromaticContact CD2-CE1 3.62Å; W100-Y275 HydrophobicContact CD2-CE1 3.62Å; W100-Y275 AromaticContact CE2-CE1 3.78Å; W100-Y275 HydrophobicContact CE3-CE1 4.15Å; W100-Y275 AromaticContact CG-CE1 3.62Å; W100-Y275 HydrophobicContact CG-CE1 3.62Å; W100-Y275 HydrophobicContact CZ2-CE1 4.4Å; W100-Y275 AromaticContact NE1-CE1 3.92Å
101K90.9Very high92.3Very high78 Ų7831.7 Ų31.734%0.33919%0.187SC..BIsolated β-bridgetrans-77.5150.8175.5-171.2167.2179.51460110.6G103 A104 C124 E185K101-G103 PolarHBondContact O-N 3.06Å; K101-A104 WeakPolarHBondContact O-CB 3.49Å; K101-A104 PolarHBondContact O-N 3.3Å; K101-A104 VanDerWaalsContact O-N 3.08Å; K101-C124 PolarHBondContact N-O 2.73Å; K101-E185 WeakPolarHBondContact CE-OE2 3.33Å; K101-E185 IonicContact NZ-OE2 3.74Å; K101-E185 PolarHBondContact NZ-OE2 2.7Å
102S84.5Confident92.6Very high90 Ų9034.8 Ų34.863%0.62920%0.204SC*.THydrogen-bonded Turntrans-48.7131.2173.5-167.80000112.3E185S102-E185 PolarHBondContact N-O 3.23Å; S102-E185 VanDerWaalsContact N-O 3.13Å
103G87.6Confident92.8Very high36 Ų3635.9 Ų35.937%0.37121%0.212SC..THydrogen-bonded Turntrans91-2.7-177.400000114.6K101 E105 Q106 A107 E187K101-G103 PolarHBondContact O-N 3.06Å; G103-E105 VanDerWaalsContact C-N 3.33Å; G103-E105 PolarHBondContact O-N 3.3Å; G103-Q106 PolarHBondContact O-N 3.39Å; G103-A107 PolarHBondContact O-N 3.47Å; G103-E187 VanDerWaalsContact N-CD 3.32Å; G103-E187 PolarHBondContact N-OE1 3.13Å; G103-E187 PolarHBondContact N-OE2 3.44Å
104A92.4Very high93.1Very high1 Ų142 Ų421%0.00824%0.244CC..Hα-helixtrans-66.9-33.8178.600000112.2W100 K101 Q106 A107 L108 C124 E187 Y275W100-A104 HydrophobicContact CB-CB 4.2Å; W100-A104 HydrophobicContact CE3-CB 3.81Å; K101-A104 WeakPolarHBondContact O-CB 3.49Å; K101-A104 PolarHBondContact O-N 3.3Å; K101-A104 VanDerWaalsContact O-N 3.08Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 3.04Å; A104-A107 PolarHBondContact O-N 2.94Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 3.26Å; A104-C124 HydrophobicContact CB-CB 3.76Å; A104-E187 PolarHBondContact N-OE2 3.1Å; A104-Y275 WeakPolarHBondContact CB-OH 3.22Å
105E89.6Confident93.6Very high91 Ų9147 Ų4743%0.42527%0.266SS..Hα-helixtrans-59.6-42.6174.7-165.4159.3-150.200112G103 A107 L108 A109 E187 Y275G103-E105 VanDerWaalsContact C-N 3.33Å; G103-E105 PolarHBondContact O-N 3.3Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 2.88Å; E105-L108 PolarHBondContact O-N 2.79Å; E105-A109 WeakPolarHBondContact O-CB 3.34Å; E105-A109 PolarHBondContact O-N 2.92Å; E105-E187 PolarHBondContact N-OE2 2.74Å; E105-E187 VanDerWaalsContact N-OE2 3.16Å; E105-Y275 HydrophobicContact CB-CD2 4.16Å; E105-Y275 HydrophobicContact CB-CE2 3.51Å; E105-Y275 HydrophobicContact CG-CD2 3.94Å; E105-Y275 HydrophobicContact CG-CE2 3.83Å; E105-Y275 PolarHBondContact N-OH 3.36Å; E105-Y275 WeakPolarHBondContact OE1-CD2 3.41Å
106Q92.1Very high94Very high129 Ų12947 Ų4760%0.60327%0.267SS*.Hα-helixtrans-65-39.6176.4-171.167.521.200111.3G103 A104 A109 N110G103-Q106 PolarHBondContact O-N 3.39Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-Q106 PolarHBondContact O-N 3.04Å; Q106-A109 PolarHBondContact O-N 3.24Å; Q106-N110 PolarHBondContact NE2-ND2 3.28Å; Q106-N110 PolarHBondContact O-N 2.63Å; Q106-N110 PolarHBondContact O-ND2 3.08Å
107A95.7Very high94.2Very high31 Ų3146.9 Ų46.926%0.25627%0.267SS..Hα-helixtrans-64-43176.200000111.9G103 A104 E105 N110 L111 L121 C124G103-A107 PolarHBondContact O-N 3.47Å; A104-A107 PolarHBondContact O-N 2.94Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 2.88Å; A107-N110 PolarHBondContact O-N 2.89Å; A107-L111 PolarHBondContact O-N 2.97Å; A107-L121 HydrophobicContact CB-CD2 4.27Å; A107-C124 VanDerWaalsContact CB-SG 3.5Å
108L95.1Very high94.4Very high1 Ų147.2 Ų47.21%0.00527%0.269CS..Hα-helixtrans-61.7-43.3175.8-73165.4000112W100 A104 E105 N110 L111 L121 T269 G273 Y275W100-L108 HydrophobicContact CE3-CD1 4.44Å; W100-L108 HydrophobicContact CH2-CD1 4.02Å; W100-L108 HydrophobicContact CH2-CD2 4.21Å; W100-L108 HydrophobicContact CZ3-CD1 3.96Å; W100-L108 HydrophobicContact CZ3-CD2 4.34Å; W100-L108 HydrophobicContact CZ3-CG 4.38Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 3.26Å; E105-L108 PolarHBondContact O-N 2.79Å; L108-N110 PolarHBondContact O-N 2.92Å; L108-L111 WeakPolarHBondContact O-CD1 3.41Å; L108-L111 VanDerWaalsContact O-CG 3.29Å; L108-L111 WeakPolarHBondContact O-CG 3.46Å; L108-L121 HydrophobicContact CD2-CD1 4.1Å; L108-L121 HydrophobicContact CD2-CD2 4.09Å; L108-L121 HydrophobicContact CG-CD2 4.37Å; L108-T269 HydrophobicContact CD1-CG2 3.51Å; L108-T269 HydrophobicContact CD2-CG2 4.17Å; L108-T269 HydrophobicContact CG-CG2 4.49Å; L108-G273 CarbonylContact C-O 3.58Å; L108-G273 WeakPolarHBondContact CB-O 3.49Å; L108-G273 VanDerWaalsContact O-O 3.08Å; L108-Y275 HydrophobicContact CD1-CD1 3.93Å; L108-Y275 HydrophobicContact CD1-CE1 3.66Å
109A94.2Very high94.5Very high66 Ų6652.5 Ų52.555%0.54529%0.294SS..Hα-helixtrans-66.7-25.2-179.700000113.2E105 Q106 G273E105-A109 WeakPolarHBondContact O-CB 3.34Å; E105-A109 PolarHBondContact O-N 2.92Å; Q106-A109 PolarHBondContact O-N 3.24Å; A109-G273 WeakPolarHBondContact CA-O 3.45Å; A109-G273 PolarHBondContact N-O 2.85Å
110N97Very high94.8Very high100 Ų10054.8 Ų54.854%0.53531%0.305SS..THydrogen-bonded Turntrans-111.624.9-175.8-62.4-69000113.9Q106 A107 L108 N112Q106-N110 PolarHBondContact NE2-ND2 3.28Å; Q106-N110 PolarHBondContact O-N 2.63Å; Q106-N110 PolarHBondContact O-ND2 3.08Å; A107-N110 PolarHBondContact O-N 2.89Å; L108-N110 PolarHBondContact O-N 2.92Å; N110-N112 PolarHBondContact O-N 3.16Å
111L98Very high95Very high21 Ų2154.8 Ų54.811%0.1131%0.305CS..  trans-54.5122.9177.1-73.7170.4000111.8A107 L108 L117 Q120 L121 Y361A107-L111 PolarHBondContact O-N 2.97Å; L108-L111 WeakPolarHBondContact O-CD1 3.41Å; L108-L111 VanDerWaalsContact O-CG 3.29Å; L108-L111 WeakPolarHBondContact O-CG 3.46Å; L111-L117 HydrophobicContact CD1-CD2 3.79Å; L111-L117 HydrophobicContact CD2-CD2 3.86Å; L111-L117 HydrophobicContact CG-CD2 4.43Å; L111-Q120 HydrophobicContact CD2-CB 4.1Å; L111-L121 HydrophobicContact CD2-CD2 4.23Å; L111-L121 HydrophobicContact CD2-CG 4.38Å; L111-Y361 HydrophobicContact CB-CD2 3.81Å; L111-Y361 HydrophobicContact CB-CG 4.08Å; L111-Y361 HydrophobicContact CD1-CG 4.43Å
112N97.9Very high95.3Very high66 Ų6656.7 Ų56.735%0.35331%0.313SS..  trans-95.7120.5178.2-176.5-23.3000110.3N110 N114 F115 Q120 Y361N110-N112 PolarHBondContact O-N 3.16Å; N112-N114 PolarHBondContact O-N 2.9Å; N112-N114 VanDerWaalsContact O-N 3.09Å; N112-N114 WeakPolarHBondContact OD1-CB 3.27Å; N112-N114 PolarHBondContact OD1-N 3.2Å; N112-F115 HydrophobicContact CB-CD2 4.1Å; N112-F115 PolarHBondContact O-N 3.45Å; N112-F115 VanDerWaalsContact O-N 3.13Å; N112-Q120 PolarHBondContact O-NE2 3.43Å; N112-Y361 WeakPolarHBondContact O-CE2 3.29Å
113S97.4Very high95.8Very high23 Ų2358.2 Ų58.216%0.16131%0.314CS..THydrogen-bonded Turntrans-62.6-16.1-176.552.90000115F115 R365S113-F115 VanDerWaalsContact C-N 3.33Å; S113-R365 PolarHBondContact O-NH1 2.76Å
114N97.6Very high96.2Very high127 Ų12757.1 Ų57.168%0.67930%0.3SS*.THydrogen-bonded Turntrans-75-23.1177.3-65.2-18.4000112.7N112N112-N114 PolarHBondContact O-N 2.9Å; N112-N114 VanDerWaalsContact O-N 3.09Å; N112-N114 WeakPolarHBondContact OD1-CB 3.27Å; N112-N114 PolarHBondContact OD1-N 3.2Å
115F97.9Very high96.3Very high111 Ų11158 Ų5849%0.48730%0.304SS..SBendtrans-109.9157.2-178.7-58.5-78.2000111.3N112 S113 Q120 Y361N112-F115 HydrophobicContact CB-CD2 4.1Å; N112-F115 PolarHBondContact O-N 3.45Å; N112-F115 VanDerWaalsContact O-N 3.13Å; S113-F115 VanDerWaalsContact C-N 3.33Å; F115-Q120 HydrophobicContact CB-CG 3.91Å; F115-Q120 PolarHBondContact O-NE2 3.3Å; F115-Q120 VanDerWaalsContact O-NE2 3.12Å; F115-Y361 WeakPolarHBondContact O-CE2 3.48Å; F115-Y361 PolarHBondContact O-OH 3.33Å
116S97.9Very high96.4Very high13 Ų1354.2 Ų54.29%0.09129%0.288CS..  trans-70.3158.317569.10000110.9E69 A118 E119 Q120E69-S116 WeakPolarHBondContact OE1-CB 3.22Å; S116-A118 VanDerWaalsContact C-N 3.31Å; S116-E119 WeakPolarHBondContact CB-OE2 3.06Å; S116-E119 PolarHBondContact N-OE2 2.82Å; S116-E119 VanDerWaalsContact OG-CB 3.29Å; S116-E119 WeakPolarHBondContact OG-CB 3.08Å; S116-E119 WeakPolarHBondContact OG-CG 3.14Å; S116-E119 PolarHBondContact OG-N 3.2Å; S116-E119 VanDerWaalsContact OG-N 3.13Å; S116-E119 PolarHBondContact OG-OE2 3.28Å; S116-Q120 VanDerWaalsContact O-CG 3.32Å; S116-Q120 WeakPolarHBondContact O-CG 3.25Å; S116-Q120 PolarHBondContact O-N 3.18Å; S116-Q120 PolarHBondContact O-NE2 3.11Å
117L98.3Very high96.5Very high0 Ų049 Ų490%027%0.266CS..Hα-helixtrans-63.2-42172-67.9174.8000110.1I65 L68 E69 L111 E119 Q120 L121 Y361 F362I65-L117 HydrophobicContact CG2-CB 3.51Å; I65-L117 HydrophobicContact CG2-CD1 4.49Å; L68-L117 HydrophobicContact CD2-CD1 4.25Å; E69-L117 WeakPolarHBondContact OE1-CA 3.21Å; E69-L117 WeakPolarHBondContact OE1-CB 3.1Å; E69-L117 PolarHBondContact OE1-N 3.19Å; L111-L117 HydrophobicContact CD1-CD2 3.79Å; L111-L117 HydrophobicContact CD2-CD2 3.86Å; L111-L117 HydrophobicContact CG-CD2 4.43Å; L117-E119 VanDerWaalsContact C-N 3.33Å; L117-E119 PolarHBondContact O-N 3.49Å; L117-Q120 PolarHBondContact O-N 3.28Å; L117-L121 HydrophobicContact CB-CD1 4.45Å; L117-L121 VanDerWaalsContact O-CB 3.31Å; L117-L121 WeakPolarHBondContact O-CB 2.83Å; L117-L121 WeakPolarHBondContact O-CG 3.13Å; L117-L121 PolarHBondContact O-N 3Å; L117-Y361 HydrophobicContact CD1-CE1 4.16Å; L117-Y361 HydrophobicContact CD2-CD1 3.86Å; L117-Y361 HydrophobicContact CD2-CE1 3.44Å; L117-Y361 VanDerWaalsContact CD2-CE1 3.44Å; L117-Y361 HydrophobicContact CD2-CE2 4.29Å; L117-Y361 HydrophobicContact CD2-CG 4.44Å; L117-Y361 HydrophobicContact CG-CD1 4.42Å; L117-Y361 HydrophobicContact CG-CE1 3.58Å; L117-Y361 PolarHBondContact N-OH 2.92Å; L117-F362 HydrophobicContact CD1-CE1 4.2Å; L117-F362 HydrophobicContact CD1-CZ 3.99Å
118A97.8Very high96.4Very high6 Ų651.3 Ų51.35%0.0528%0.279CS..Hα-helixtrans-61.1-40.1-17900000112.1L62 I65 K66 E69 S116 K122L62-A118 HydrophobicContact CD2-CB 4.45Å; I65-A118 HydrophobicContact CG2-CB 4.06Å; K66-A118 HydrophobicContact CG-CB 3.81Å; E69-A118 PolarHBondContact OE1-N 3.44Å; S116-A118 VanDerWaalsContact C-N 3.31Å; A118-K122 WeakPolarHBondContact O-CB 2.96Å; A118-K122 PolarHBondContact O-N 2.89Å
119E97.6Very high96.4Very high111 Ų11152.6 Ų52.652%0.51929%0.286SS..Hα-helixtrans-66.2-39.8175.9-75.6160.8161.200112.6S116 L117S116-E119 WeakPolarHBondContact CB-OE2 3.06Å; S116-E119 PolarHBondContact N-OE2 2.82Å; S116-E119 VanDerWaalsContact OG-CB 3.29Å; S116-E119 WeakPolarHBondContact OG-CB 3.08Å; S116-E119 WeakPolarHBondContact OG-CG 3.14Å; S116-E119 PolarHBondContact OG-N 3.2Å; S116-E119 VanDerWaalsContact OG-N 3.13Å; S116-E119 PolarHBondContact OG-OE2 3.28Å; L117-E119 VanDerWaalsContact C-N 3.33Å; L117-E119 PolarHBondContact O-N 3.49Å
120Q98.1Very high96.5Very high49 Ų4949.4 Ų49.423%0.22926%0.26CS..Hα-helixtrans-79-32-175.7-68.5176.689.900112.9L111 N112 F115 S116 L117L111-Q120 HydrophobicContact CD2-CB 4.1Å; N112-Q120 PolarHBondContact O-NE2 3.43Å; F115-Q120 HydrophobicContact CB-CG 3.91Å; F115-Q120 PolarHBondContact O-NE2 3.3Å; F115-Q120 VanDerWaalsContact O-NE2 3.12Å; S116-Q120 VanDerWaalsContact O-CG 3.32Å; S116-Q120 WeakPolarHBondContact O-CG 3.25Å; S116-Q120 PolarHBondContact O-N 3.18Å; S116-Q120 PolarHBondContact O-NE2 3.11Å; L117-Q120 PolarHBondContact O-N 3.28Å
121L97.5Very high96.4Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-104.4-1.1-172-59.3179000114.3I65 A107 L108 L111 L117 D123 C124 F125 L270I65-L121 HydrophobicContact CD1-CB 4.26Å; I65-L121 HydrophobicContact CD1-CD1 4.28Å; A107-L121 HydrophobicContact CB-CD2 4.27Å; L108-L121 HydrophobicContact CD2-CD1 4.1Å; L108-L121 HydrophobicContact CD2-CD2 4.09Å; L108-L121 HydrophobicContact CG-CD2 4.37Å; L111-L121 HydrophobicContact CD2-CD2 4.23Å; L111-L121 HydrophobicContact CD2-CG 4.38Å; L117-L121 HydrophobicContact CB-CD1 4.45Å; L117-L121 VanDerWaalsContact O-CB 3.31Å; L117-L121 WeakPolarHBondContact O-CB 2.83Å; L117-L121 WeakPolarHBondContact O-CG 3.13Å; L117-L121 PolarHBondContact O-N 3Å; L121-D123 PolarHBondContact O-N 3.1Å; L121-D123 VanDerWaalsContact O-N 3.09Å; L121-C124 HydrophobicContact CB-CB 4.41Å; L121-C124 HydrophobicContact CD2-CB 4.38Å; L121-C124 VanDerWaalsContact O-CB 3.3Å; L121-C124 WeakPolarHBondContact O-CB 3.44Å; L121-C124 PolarHBondContact O-N 2.92Å; L121-F125 HydrophobicContact CB-CE2 4.24Å; L121-F125 HydrophobicContact CB-CZ 4.38Å; L121-F125 WeakPolarHBondContact O-CD2 3.44Å; L121-F125 WeakPolarHBondContact O-CE2 3.46Å; L121-L270 HydrophobicContact CD1-CD2 3.61Å
122K96.1Very high96.2Very high118 Ų11843.9 Ų43.951%0.51323%0.231SC..THydrogen-bonded Turntrans-52.9-32.9-178.564.2-177-176.1178.20114.8L62 A118L62-K122 HydrophobicContact CD1-CB 4Å; L62-K122 HydrophobicContact CD2-CB 4.28Å; A118-K122 WeakPolarHBondContact O-CB 2.96Å; A118-K122 PolarHBondContact O-N 2.89Å
123D95.4Very high95.8Very high123 Ų12343.6 Ų43.666%0.65823%0.225SC*.THydrogen-bonded Turntrans-99.67.2-177.7-57.9-47.8000112.7L121L121-D123 PolarHBondContact O-N 3.1Å; L121-D123 VanDerWaalsContact O-N 3.09Å
124C95.7Very high95.2Very high12 Ų1245 Ų458%0.08123%0.23CC..SBendtrans-92.37.3-175.5-680000114.2K101 A104 A107 L121K101-C124 PolarHBondContact N-O 2.73Å; A104-C124 HydrophobicContact CB-CB 3.76Å; A107-C124 VanDerWaalsContact CB-SG 3.5Å; L121-C124 HydrophobicContact CB-CB 4.41Å; L121-C124 HydrophobicContact CD2-CB 4.38Å; L121-C124 VanDerWaalsContact O-CB 3.3Å; L121-C124 WeakPolarHBondContact O-CB 3.44Å; L121-C124 PolarHBondContact O-N 2.92Å
125F95.5Very high94.7Very high20 Ų2039.1 Ų39.19%0.08820%0.198CC..BIsolated β-bridgetrans-120.2132.2-177.4-53.3-69.3000110.9V61 L62 I65 V98 Y99 W100 L121 T127 F266V61-F125 HydrophobicContact CB-CD2 4.4Å; V61-F125 HydrophobicContact CB-CE2 4.49Å; V61-F125 HydrophobicContact CB-CG 4.46Å; V61-F125 HydrophobicContact CG1-CD1 3.95Å; V61-F125 HydrophobicContact CG1-CD2 4.13Å; V61-F125 HydrophobicContact CG1-CE1 3.65Å; V61-F125 HydrophobicContact CG1-CE2 3.83Å; V61-F125 HydrophobicContact CG1-CG 4.19Å; V61-F125 HydrophobicContact CG1-CZ 3.61Å; L62-F125 HydrophobicContact CD2-CE2 4.44Å; I65-F125 HydrophobicContact CD1-CE2 3.85Å; I65-F125 HydrophobicContact CD1-CZ 3.74Å; V98-F125 HydrophobicContact CG1-CD1 3.67Å; V98-F125 HydrophobicContact CG1-CE1 3.73Å; Y99-F125 CarbonylContact O-C 3.5Å; Y99-F125 WeakPolarHBondContact O-CA 3.41Å; W100-F125 HydrophobicContact CD2-CE1 4.2Å; W100-F125 HydrophobicContact CE3-CD1 4.09Å; W100-F125 AromaticContact CE3-CE1 3.57Å; W100-F125 HydrophobicContact CE3-CE1 3.57Å; W100-F125 HydrophobicContact CE3-CZ 4.38Å; W100-F125 AromaticContact CH2-CE1 3.96Å; W100-F125 HydrophobicContact CH2-CE1 3.96Å; W100-F125 HydrophobicContact CH2-CZ 4.37Å; W100-F125 HydrophobicContact CZ3-CD1 4.38Å; W100-F125 AromaticContact CZ3-CE1 3.44Å; W100-F125 HydrophobicContact CZ3-CE1 3.44Å; W100-F125 VanDerWaalsContact CZ3-CE1 3.44Å; W100-F125 AromaticContact CZ3-CZ 3.87Å; W100-F125 HydrophobicContact CZ3-CZ 3.87Å; L121-F125 HydrophobicContact CB-CE2 4.24Å; L121-F125 HydrophobicContact CB-CZ 4.38Å; L121-F125 WeakPolarHBondContact O-CD2 3.44Å; L121-F125 WeakPolarHBondContact O-CE2 3.46Å; F125-T127 WeakPolarHBondContact CB-O 3.49Å; F125-T127 PolarHBondContact O-N 2.82Å; F125-F266 HydrophobicContact CE1-CD2 4.46Å; F125-F266 AromaticContact CE1-CE2 3.79Å; F125-F266 HydrophobicContact CE1-CE2 3.79Å; F125-F266 AromaticContact CZ-CE2 3.9Å; F125-F266 HydrophobicContact CZ-CE2 3.9Å
126A92.3Very high94.3Very high11 Ų1138.3 Ų38.39%0.09120%0.196CC..SBendtrans-71.4-17.5177.500000112.2Y99 I182 E185 T186Y99-A126 PolarHBondContact O-N 3.15Å; A126-I182 HydrophobicContact CB-CG2 4.15Å; A126-I182 WeakPolarHBondContact CB-O 3.34Å; A126-E185 HydrophobicContact CB-CB 3.98Å; A126-T186 HydrophobicContact CB-CG2 3.44Å; A126-T186 VanDerWaalsContact CB-CG2 3.44Å
127T93.7Very high93.9Very high21 Ų2138.9 Ų38.913%0.12920%0.2CC..  trans-143140.5168.6-173.40000109.7Y99 F125 D129 I182Y99-T127 HydrophobicContact CD2-CG2 3.88Å; Y99-T127 HydrophobicContact CG-CG2 4.25Å; F125-T127 WeakPolarHBondContact CB-O 3.49Å; F125-T127 PolarHBondContact O-N 2.82Å; T127-D129 VanDerWaalsContact C-N 3.3Å; T127-D129 PolarHBondContact OG1-O 3.46Å; T127-I182 HydrophobicContact CG2-CG2 4.1Å
128S93.6Very high93.5Very high78 Ų7838.9 Ų38.955%0.54520%0.2SC..SBendtrans-71.7-27.6176.751.20000112.7P60 V61P60-S128 CarbonylContact C-O 3.57Å; P60-S128 WeakPolarHBondContact CA-O 3.41Å; V61-S128 PolarHBondContact N-O 3.41Å
129D94.9Very high93.2Very high28 Ų2842.2 Ų42.215%0.1521%0.214CC..EExtended strand (participates in β ladder)trans-117.7109.4-169-71.2-88.5000109.7R51 T58 T127R51-D129 WeakPolarHBondContact CD-OD1 3.5Å; R51-D129 IonicContact CZ-OD1 2.78Å; R51-D129 IonicContact NE-OD1 2.75Å; R51-D129 IonicContact NH1-OD1 3.31Å; R51-D129 PolarHBondContact NH1-OD1 2.74Å; R51-D129 IonicContact NH1-OD2 3.51Å; R51-D129 PolarHBondContact NH1-OD2 3.25Å; R51-D129 VanDerWaalsContact NH1-OD2 3.15Å; T58-D129 HydrophobicContact CG2-CB 4.38Å; T127-D129 VanDerWaalsContact C-N 3.3Å; T127-D129 PolarHBondContact OG1-O 3.46Å
130S96Very high92.9Very high0 Ų042.2 Ų42.20%022%0.215CC..EExtended strand (participates in β ladder)trans-90.1136-177.8-74.20000110.8T58 A59 V61 S97T58-S130 CarbonylContact C-O 3.58Å; T58-S130 WeakPolarHBondContact CA-O 3.25Å; T58-S130 VanDerWaalsContact CB-O 3.28Å; T58-S130 WeakPolarHBondContact CB-O 3.21Å; A59-S130 PolarHBondContact N-O 2.89Å; A59-S130 PolarHBondContact O-N 3.24Å; V61-S130 WeakPolarHBondContact CG2-OG 3.26Å; S97-S130 WeakPolarHBondContact O-CB 3.4Å; S97-S130 PolarHBondContact O-OG 3.48Å
131P95.9Very high92.6Very high3 Ų339.9 Ų39.92%0.01920%0.204CC..EExtended strand (participates in β ladder)trans-61.6141.6171.929.1-34000109.6G96 S97 Y99 D135 Q171G96-P131 WeakPolarHBondContact CA-O 3.49Å; S97-P131 PolarHBondContact N-O 3.28Å; S97-P131 WeakPolarHBondContact OG-CG 3.42Å; Y99-P131 HydrophobicContact CE2-CG 4.24Å; P131-D135 HydrophobicContact CB-CB 4.47Å; P131-Q171 HydrophobicContact CB-CG 4.48Å; P131-Q171 HydrophobicContact CG-CB 4.44Å
132V94.1Very high92.3Very high1 Ų140 Ų401%0.00620%0.204CC..  trans-114.9174.2177.9-60.20000110.7V50 I57 A59 W64 M134 D135V50-V132 HydrophobicContact CG1-CG2 3.9Å; I57-V132 HydrophobicContact CB-CG2 4.4Å; I57-V132 HydrophobicContact CG2-CG2 3.86Å; I57-V132 WeakPolarHBondContact O-CG2 3.47Å; I57-V132 PolarHBondContact O-N 3.44Å; A59-V132 HydrophobicContact CB-CG1 3.67Å; W64-V132 HydrophobicContact CH2-CG1 4.48Å; W64-V132 HydrophobicContact CZ2-CG1 4.07Å; V132-M134 HydrophobicContact CG2-CB 4.17Å; V132-M134 HydrophobicContact CG2-CE 4.01Å; V132-M134 PolarHBondContact O-N 2.8Å; V132-D135 WeakPolarHBondContact O-CB 3.29Å; V132-D135 PolarHBondContact O-N 3.15Å
133W88.1Confident92.1Very high60 Ų6040.7 Ų40.723%0.22721%0.207CC..THydrogen-bonded Turntrans-59-18.2-176.875-90.8000114.8T15 D135 R166 I503T15-W133 PolarHBondContact OG1-NE1 2.94Å; W133-D135 VanDerWaalsContact C-N 3.35Å; W133-R166 WeakPolarHBondContact O-CB 3.46Å; W133-R166 WeakPolarHBondContact O-CD 3.47Å; W133-I503 HydrophobicContact CZ3-CD1 3.76Å
134M84.9Confident92Very high53 Ų5337.6 Ų37.626%0.26119%0.189SC..THydrogen-bonded Turntrans-81.9-13179.2-63.2-175.9-70.500113.2T15 V50 I57 V132 H136T15-M134 HydrophobicContact CG2-CE 3.37Å; T15-M134 HydrophobicContact CG2-SD 4.34Å; V50-M134 HydrophobicContact CB-CE 3.89Å; V50-M134 HydrophobicContact CG1-CE 3.2Å; V50-M134 HydrophobicContact CG2-CE 3.52Å; I57-M134 HydrophobicContact CB-CB 4.22Å; I57-M134 HydrophobicContact CD1-CB 3.93Å; I57-M134 HydrophobicContact CG2-CB 3.96Å; I57-M134 HydrophobicContact CG2-CE 4.05Å; V132-M134 HydrophobicContact CG2-CB 4.17Å; V132-M134 HydrophobicContact CG2-CE 4.01Å; V132-M134 PolarHBondContact O-N 2.8Å; M134-H136 PolarHBondContact O-N 3.46Å; M134-H136 PolarHBondContact O-ND1 2.79Å
135D88.7Confident91.7Very high4 Ų437 Ų372%0.02119%0.185CC..  trans-64.2130.6178.8-168.2-67.8000110.9E56 I57 P131 V132 W133 S137 Q171E56-D135 VanDerWaalsContact CA-OD2 3.27Å; E56-D135 WeakPolarHBondContact CA-OD2 3.3Å; I57-D135 PolarHBondContact N-OD2 3.44Å; P131-D135 HydrophobicContact CB-CB 4.47Å; V132-D135 WeakPolarHBondContact O-CB 3.29Å; V132-D135 PolarHBondContact O-N 3.15Å; W133-D135 VanDerWaalsContact C-N 3.35Å; D135-S137 WeakPolarHBondContact OD1-CB 3.22Å; D135-S137 PolarHBondContact OD1-N 3.41Å; D135-S137 PolarHBondContact OD1-OG 3.36Å; D135-Q171 VanDerWaalsContact CG-NE2 3.32Å; D135-Q171 PolarHBondContact OD1-NE2 3.28Å
136H87.5Confident91.6Very high93 Ų9336.8 Ų36.843%0.43118%0.184SC..  trans-130.430.1-17857.5-80.8000112.1A55 M134 L165A55-H136 WeakPolarHBondContact CA-NE2 3.45Å; A55-H136 PolarHBondContact O-N 2.88Å; A55-H136 VanDerWaalsContact O-N 3.12Å; M134-H136 PolarHBondContact O-N 3.46Å; M134-H136 PolarHBondContact O-ND1 2.79Å; H136-L165 HydrophobicContact CB-CB 4.24Å; H136-L165 HydrophobicContact CB-CD1 3.68Å
137S89.6Confident91.6Very high26 Ų2640 Ų4018%0.18221%0.21CC..  trans-91.83.1-172.567.50000115.5D135 K174D135-S137 WeakPolarHBondContact OD1-CB 3.22Å; D135-S137 PolarHBondContact OD1-N 3.41Å; D135-S137 PolarHBondContact OD1-OG 3.36Å; S137-K174 PolarHBondContact OG-NZ 2.93Å
138T91.8Very high91.3Very high0 Ų041.7 Ų41.70%023%0.227CC..  trans-111.430.5-165.257.20000114.2E140 E141 C142 L165 P170 Q171 K174T138-E140 VanDerWaalsContact C-N 3.28Å; T138-E140 PolarHBondContact O-N 3.08Å; T138-E141 VanDerWaalsContact C-OE2 3.3Å; T138-E141 VanDerWaalsContact CA-OE2 3.24Å; T138-E141 WeakPolarHBondContact CA-OE2 3.22Å; T138-E141 PolarHBondContact O-N 2.83Å; T138-E141 VanDerWaalsContact O-N 3.16Å; T138-C142 PolarHBondContact O-N 3.45Å; T138-L165 VanDerWaalsContact OG1-C 3.24Å; T138-L165 WeakPolarHBondContact OG1-CA 3.45Å; T138-L165 PolarHBondContact OG1-O 2.81Å; T138-P170 HydrophobicContact CG2-CB 4.48Å; T138-Q171 VanDerWaalsContact CG2-CD 3.46Å; T138-Q171 HydrophobicContact CG2-CG 4.25Å; T138-Q171 VanDerWaalsContact CG2-NE2 3.28Å; T138-K174 HydrophobicContact CG2-CB 3.93Å; T138-K174 HydrophobicContact CG2-CD 3.82Å; T138-K174 HydrophobicContact CG2-CG 4.48Å
139Q89.9Confident91.1Very high75 Ų7539.2 Ų39.235%0.3521%0.208SC..Hα-helixtrans-58-39.4-174.7-179.564.387.400113.1K143 L165Q139-K143 WeakPolarHBondContact O-CG 3.49Å; Q139-K143 PolarHBondContact O-N 3.3Å; Q139-L165 HydrophobicContact CB-CD2 3.92Å
140E91.4Very high91Very high112 Ų11240.6 Ų40.652%0.52323%0.229SC..Hα-helixtrans-69.6-41.7178.8-62.4-179.9148.900111.3T138 K143 E144 K178T138-E140 VanDerWaalsContact C-N 3.28Å; T138-E140 PolarHBondContact O-N 3.08Å; E140-K143 PolarHBondContact O-N 3.33Å; E140-E144 PolarHBondContact O-N 3.37Å; E140-K178 IonicContact OE2-NZ 3.25Å; E140-K178 PolarHBondContact OE2-NZ 3.01Å
141E92.6Very high90.8Very high0 Ų041.9 Ų41.90%024%0.242CC..Hα-helixtrans-65.2-38.9178.9-69.178-168.500112T138 E144 L145 P170 L173 K174 K178T138-E141 VanDerWaalsContact C-OE2 3.3Å; T138-E141 VanDerWaalsContact CA-OE2 3.24Å; T138-E141 WeakPolarHBondContact CA-OE2 3.22Å; T138-E141 PolarHBondContact O-N 2.83Å; T138-E141 VanDerWaalsContact O-N 3.16Å; E141-E144 PolarHBondContact O-N 2.83Å; E141-L145 WeakPolarHBondContact O-CB 3.44Å; E141-L145 PolarHBondContact O-N 3.41Å; E141-P170 HydrophobicContact CB-CB 4.2Å; E141-L173 HydrophobicContact CB-CB 4.09Å; E141-L173 HydrophobicContact CB-CD2 3.87Å; E141-L173 HydrophobicContact CB-CG 4.03Å; E141-L173 HydrophobicContact CG-CB 3.93Å; E141-L173 HydrophobicContact CG-CD2 4.04Å; E141-L173 HydrophobicContact CG-CG 3.71Å; E141-K174 HydrophobicContact CG-CB 4.06Å; E141-K178 WeakPolarHBondContact OE1-CE 3.37Å; E141-K178 IonicContact OE1-NZ 2.69Å; E141-K178 PolarHBondContact OE1-NZ 3.37Å; E141-K178 IonicContact OE2-NZ 3.73Å
142C91.7Very high90.5Very high2 Ų242.8 Ų42.81%0.01425%0.25CS..Hα-helixtrans-58.9-47.3171.4-75.40000111.9T138 E144 L145 E146 A163 P170T138-C142 PolarHBondContact O-N 3.45Å; C142-E144 VanDerWaalsContact C-N 3.33Å; C142-E144 PolarHBondContact O-N 3.46Å; C142-L145 PolarHBondContact O-N 3.2Å; C142-E146 WeakPolarHBondContact O-CG 3.49Å; C142-E146 PolarHBondContact O-N 3.47Å; C142-E146 VanDerWaalsContact O-N 3.09Å; C142-A163 HydrophobicContact CB-CB 3.72Å; C142-P170 VanDerWaalsContact SG-CG 3.58Å
143K91.7Very high90.3Very high133 Ų13346.6 Ų46.658%0.57827%0.27SS*.Hα-helixtrans-62-40.9177.9-70.3176-177.1177.70111.6Q139 E140 A147Q139-K143 WeakPolarHBondContact O-CG 3.49Å; Q139-K143 PolarHBondContact O-N 3.3Å; E140-K143 PolarHBondContact O-N 3.33Å; K143-A147 VanDerWaalsContact O-CB 3.29Å; K143-A147 WeakPolarHBondContact O-CB 3.46Å; K143-A147 PolarHBondContact O-N 3Å
144E91.6Very high90.5Very high57 Ų5746.1 Ų46.127%0.26628%0.276SS..Hα-helixtrans-65-45.8177.8-176.6174.315300111.8E140 E141 C142 E146 A147 A148 L173 R177 V303 R311E140-E144 PolarHBondContact O-N 3.37Å; E141-E144 PolarHBondContact O-N 2.83Å; C142-E144 VanDerWaalsContact C-N 3.33Å; C142-E144 PolarHBondContact O-N 3.46Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.43Å; E144-A147 PolarHBondContact O-N 3.36Å; E144-A148 WeakPolarHBondContact O-CB 3.45Å; E144-A148 PolarHBondContact O-N 2.93Å; E144-L173 HydrophobicContact CB-CD2 4.21Å; E144-L173 HydrophobicContact CG-CD2 4.28Å; E144-R177 IonicContact OE2-CZ 3.15Å; E144-R177 IonicContact OE2-NH1 3.54Å; E144-R177 PolarHBondContact OE2-NH1 2.88Å; E144-V303 HydrophobicContact CG-CG1 3.98Å; E144-R311 IonicContact OE1-NH1 2.63Å; E144-R311 PolarHBondContact OE1-NH1 3.06Å
145L90.9Very high90.9Very high0 Ų043.6 Ų43.60%026%0.264CS..Hα-helixtrans-60-45.7179.7-175.458.8000111.4E141 C142 A148 V149 L155 P170 N287 C300 V303 V304E141-L145 WeakPolarHBondContact O-CB 3.44Å; E141-L145 PolarHBondContact O-N 3.41Å; C142-L145 PolarHBondContact O-N 3.2Å; L145-A148 PolarHBondContact O-N 3.06Å; L145-V149 PolarHBondContact O-N 2.97Å; L145-L155 HydrophobicContact CD2-CD2 4.02Å; L145-L155 HydrophobicContact CG-CD1 4.49Å; L145-L155 HydrophobicContact CG-CD2 3.99Å; L145-P170 HydrophobicContact CD2-CG 4.18Å; L145-N287 HydrophobicContact CD2-CB 3.72Å; L145-C300 HydrophobicContact CD1-CB 4.15Å; L145-V303 HydrophobicContact CD1-CB 4.06Å; L145-V303 HydrophobicContact CD1-CG1 4.24Å; L145-V304 HydrophobicContact CD1-CG2 4.2Å
146E93.3Very high90.9Very high15 Ų1543.4 Ų43.47%0.0726%0.263CS..Hα-helixtrans-66.5-46.8178.1-69.1176.4146.600112.3C142 E144 A148 V149 G150 G151 A152 L155 A163 K506C142-E146 WeakPolarHBondContact O-CG 3.49Å; C142-E146 PolarHBondContact O-N 3.47Å; C142-E146 VanDerWaalsContact O-N 3.09Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.43Å; E146-A148 PolarHBondContact O-N 2.86Å; E146-V149 PolarHBondContact O-N 3.39Å; E146-V149 VanDerWaalsContact O-N 3.14Å; E146-G150 PolarHBondContact O-N 2.94Å; E146-G151 WeakPolarHBondContact O-CA 3.29Å; E146-G151 PolarHBondContact O-N 3.19Å; E146-A152 HydrophobicContact CG-CB 4.48Å; E146-A152 WeakPolarHBondContact OE1-CA 3.22Å; E146-A152 VanDerWaalsContact OE1-CB 3.24Å; E146-A152 WeakPolarHBondContact OE1-CB 3.02Å; E146-L155 HydrophobicContact CG-CD2 3.87Å; E146-A163 HydrophobicContact CG-CB 3.55Å; E146-A163 PolarHBondContact OE1-N 2.97Å; E146-A163 VanDerWaalsContact OE1-N 3.1Å; E146-K506 WeakPolarHBondContact OE1-CE 3.44Å; E146-K506 IonicContact OE1-NZ 3.59Å; E146-K506 PolarHBondContact OE1-NZ 2.78Å; E146-K506 IonicContact OE2-NZ 2.79Å; E146-K506 PolarHBondContact OE2-NZ 3.1Å
147A92.3Very high91.1Very high78 Ų7845 Ų4565%0.64527%0.268SS*.Hα-helixtrans-56.7-38.6178.300000111.5K143 E144 V149 G150K143-A147 VanDerWaalsContact O-CB 3.29Å; K143-A147 WeakPolarHBondContact O-CB 3.46Å; K143-A147 PolarHBondContact O-N 3Å; E144-A147 PolarHBondContact O-N 3.36Å; A147-V149 VanDerWaalsContact C-N 3.32Å; A147-V149 PolarHBondContact O-N 2.83Å; A147-G150 PolarHBondContact O-N 2.68Å
148A87.4Confident91.2Very high57 Ų5745.4 Ų45.447%0.47127%0.268SS..Hα-helixtrans-71-22.4-178.500000114.7E144 L145 E146 V303E144-A148 WeakPolarHBondContact O-CB 3.45Å; E144-A148 PolarHBondContact O-N 2.93Å; L145-A148 PolarHBondContact O-N 3.06Å; E146-A148 PolarHBondContact O-N 2.86Å; A148-V303 HydrophobicContact CB-CB 4.32Å; A148-V303 HydrophobicContact CB-CG1 4.19Å; A148-V303 HydrophobicContact CB-CG2 3.2Å
149V89.4Confident91.1Very high26 Ų2645.4 Ų45.416%0.15827%0.268CS..THydrogen-bonded Turntrans-107.48.7178.3-56.50000113.6L145 E146 A147 S154 L155 E299L145-V149 PolarHBondContact O-N 2.97Å; E146-V149 PolarHBondContact O-N 3.39Å; E146-V149 VanDerWaalsContact O-N 3.14Å; A147-V149 VanDerWaalsContact C-N 3.32Å; A147-V149 PolarHBondContact O-N 2.83Å; V149-S154 WeakPolarHBondContact O-CB 3.49Å; V149-L155 HydrophobicContact CG2-CB 3.59Å; V149-L155 HydrophobicContact CG2-CD1 3.89Å; V149-L155 HydrophobicContact CG2-CG 4.22Å; V149-E299 HydrophobicContact CG1-CB 4.02Å
150G92.3Very high91Very high57 Ų5741.9 Ų41.959%0.58825%0.252SS*.THydrogen-bonded Turntrans88.128.2178.200000114.7E146 A147 S154E146-G150 PolarHBondContact O-N 2.94Å; A147-G150 PolarHBondContact O-N 2.68Å; G150-S154 PolarHBondContact O-OG 3.49Å
151G91.5Very high90.9Very high27 Ų2736.5 Ų36.528%0.27823%0.227SC..SBendtrans103.3171.8172.100000115E146 L153 S154 L155E146-G151 WeakPolarHBondContact O-CA 3.29Å; E146-G151 PolarHBondContact O-N 3.19Å; G151-L153 PolarHBondContact O-N 3.22Å; G151-S154 WeakPolarHBondContact O-CB 3.45Å; G151-S154 PolarHBondContact O-N 3.33Å; G151-S154 VanDerWaalsContact O-N 3.14Å; G151-L155 PolarHBondContact O-N 3.35Å
152A89.7Confident90.7Very high23 Ų2336.6 Ų36.619%0.1923%0.227CC..Hα-helixtrans-56.4-43.9-174.700000113.7E146 L155 A156 A162E146-A152 HydrophobicContact CG-CB 4.48Å; E146-A152 WeakPolarHBondContact OE1-CA 3.22Å; E146-A152 VanDerWaalsContact OE1-CB 3.24Å; E146-A152 WeakPolarHBondContact OE1-CB 3.02Å; A152-L155 PolarHBondContact O-N 2.96Å; A152-A156 WeakPolarHBondContact O-CB 3.21Å; A152-A156 PolarHBondContact O-N 3.38Å; A152-A162 HydrophobicContact CB-CB 4Å
153L89.6Confident90.6Very high81 Ų8136.7 Ų36.742%0.42423%0.228SC..Hα-helixtrans-68.5-35.5179.2-177.562.2000112.1G151 A156 K157G151-L153 PolarHBondContact O-N 3.22Å; L153-A156 PolarHBondContact O-N 3.24Å; L153-K157 HydrophobicContact CG-CD 4.42Å; L153-K157 WeakPolarHBondContact O-CB 3.44Å; L153-K157 VanDerWaalsContact O-CG 3.31Å; L153-K157 WeakPolarHBondContact O-CG 3.45Å; L153-K157 PolarHBondContact O-N 2.74Å
154S92.3Very high90.4Very high50 Ų5031 Ų3135%0.3520%0.204SC..Hα-helixtrans-66.8-41.1176.6-57.80000111V149 G150 G151 K157 L158V149-S154 WeakPolarHBondContact O-CB 3.49Å; G150-S154 PolarHBondContact O-OG 3.49Å; G151-S154 WeakPolarHBondContact O-CB 3.45Å; G151-S154 PolarHBondContact O-N 3.33Å; G151-S154 VanDerWaalsContact O-N 3.14Å; S154-K157 PolarHBondContact O-N 3.42Å; S154-L158 PolarHBondContact O-N 3.32Å
155L93.1Very high90.2Very high0 Ų029.3 Ų29.30%020%0.197CC..Hα-helixtrans-62-46.1171.5-171.156.8000111.5L145 E146 V149 G151 A152 K157 L158 T159 S161 A163 N287 C300L145-L155 HydrophobicContact CD2-CD2 4.02Å; L145-L155 HydrophobicContact CG-CD1 4.49Å; L145-L155 HydrophobicContact CG-CD2 3.99Å; E146-L155 HydrophobicContact CG-CD2 3.87Å; V149-L155 HydrophobicContact CG2-CB 3.59Å; V149-L155 HydrophobicContact CG2-CD1 3.89Å; V149-L155 HydrophobicContact CG2-CG 4.22Å; G151-L155 PolarHBondContact O-N 3.35Å; A152-L155 PolarHBondContact O-N 2.96Å; L155-K157 VanDerWaalsContact C-N 3.33Å; L155-K157 PolarHBondContact O-N 3.07Å; L155-L158 WeakPolarHBondContact O-CB 3.32Å; L155-L158 PolarHBondContact O-N 2.98Å; L155-T159 HydrophobicContact CD1-CG2 3.82Å; L155-T159 PolarHBondContact O-N 3.25Å; L155-T159 PolarHBondContact O-OG1 3.44Å; L155-S161 CarbonylContact C-O 3.15Å; L155-A163 HydrophobicContact CD2-CB 3.72Å; L155-N287 HydrophobicContact CD1-CB 4.49Å; L155-N287 HydrophobicContact CD2-CB 4.37Å; L155-C300 VanDerWaalsContact CD1-SG 3.54Å
156A90.4Very high90.1Very high0 Ų030.3 Ų30.30%020%0.2CC..Hα-helixtrans-60.2-41.7177.100000112.4A152 L153 L158 G160 S161 P431A152-A156 WeakPolarHBondContact O-CB 3.21Å; A152-A156 PolarHBondContact O-N 3.38Å; L153-A156 PolarHBondContact O-N 3.24Å; A156-L158 PolarHBondContact O-N 3.21Å; A156-G160 CarbonylContact O-C 3.47Å; A156-G160 WeakPolarHBondContact O-CA 3.37Å; A156-G160 PolarHBondContact O-N 3.29Å; A156-S161 VanDerWaalsContact CA-C 3.45Å; A156-S161 VanDerWaalsContact CA-O 3.32Å; A156-S161 WeakPolarHBondContact CA-O 3.41Å; A156-S161 PolarHBondContact N-O 2.84Å; A156-P431 HydrophobicContact CB-CB 4.2Å; A156-P431 VanDerWaalsContact O-CB 3.23Å; A156-P431 WeakPolarHBondContact O-CB 3.34Å
157K90.9Very high90Very high126 Ų12629.6 Ų29.655%0.54820%0.197SC..Hα-helixtrans-61.2-29.3175-77.5174.5178.9178.10113.4L153 S154 L155 P431L153-K157 HydrophobicContact CG-CD 4.42Å; L153-K157 WeakPolarHBondContact O-CB 3.44Å; L153-K157 VanDerWaalsContact O-CG 3.31Å; L153-K157 WeakPolarHBondContact O-CG 3.45Å; L153-K157 PolarHBondContact O-N 2.74Å; S154-K157 PolarHBondContact O-N 3.42Å; L155-K157 VanDerWaalsContact C-N 3.33Å; L155-K157 PolarHBondContact O-N 3.07Å; K157-P431 HydrophobicContact CG-CB 4.38Å
158L90.5Very high90.1Very high34 Ų3425.9 Ų25.918%0.17817%0.166CC..Hα-helixtrans-86.1-47.5-178.7-173.259.2000111.8S154 L155 A156 N290 L291 A297S154-L158 PolarHBondContact O-N 3.32Å; L155-L158 WeakPolarHBondContact O-CB 3.32Å; L155-L158 PolarHBondContact O-N 2.98Å; A156-L158 PolarHBondContact O-N 3.21Å; L158-N290 HydrophobicContact CD1-CB 4.06Å; L158-N290 VanDerWaalsContact CD1-ND2 3.34Å; L158-N290 WeakPolarHBondContact CD1-ND2 3.04Å; L158-N290 WeakPolarHBondContact O-CA 3.49Å; L158-L291 PolarHBondContact O-N 3.36Å; L158-L291 VanDerWaalsContact O-N 3.1Å; L158-A297 HydrophobicContact CD1-CB 4.33Å; L158-A297 HydrophobicContact CD2-CB 3.71Å; L158-A297 HydrophobicContact CG-CB 3.96Å
159T91Very high90.3Very high0 Ų023.2 Ų23.20%014%0.144CC..Hα-helixtrans-117.97.6-168.482.90000114.2L155 S161 N287 L289L155-T159 HydrophobicContact CD1-CG2 3.82Å; L155-T159 PolarHBondContact O-N 3.25Å; L155-T159 PolarHBondContact O-OG1 3.44Å; T159-S161 PolarHBondContact O-N 3.32Å; T159-S161 PolarHBondContact OG1-O 3.32Å; T159-N287 PolarHBondContact OG1-ND2 2.76Å; T159-L289 VanDerWaalsContact CA-O 3.24Å; T159-L289 WeakPolarHBondContact CA-O 3.49Å; T159-L289 VanDerWaalsContact CB-O 3.3Å; T159-L289 WeakPolarHBondContact CB-O 3.3Å; T159-L289 WeakPolarHBondContact CG2-O 3.12Å
160G87.8Confident90.5Very high1 Ų122 Ų221%0.0114%0.137CC..SBendtrans75.1-2.3-178.200000116.3A156 I437A156-G160 CarbonylContact O-C 3.47Å; A156-G160 WeakPolarHBondContact O-CA 3.37Å; A156-G160 PolarHBondContact O-N 3.29Å; G160-I437 PolarHBondContact O-N 3.22Å
161S88Confident90.5Very high0 Ų019.4 Ų19.40%011%0.109CC..SBendtrans-147.7145.7180-620000110.9L155 A156 T159 N287 H436L155-S161 CarbonylContact C-O 3.15Å; A156-S161 VanDerWaalsContact CA-C 3.45Å; A156-S161 VanDerWaalsContact CA-O 3.32Å; A156-S161 WeakPolarHBondContact CA-O 3.41Å; A156-S161 PolarHBondContact N-O 2.84Å; T159-S161 PolarHBondContact O-N 3.32Å; T159-S161 PolarHBondContact OG1-O 3.32Å; S161-N287 PolarHBondContact O-ND2 2.65Å; S161-N287 VanDerWaalsContact O-ND2 3.14Å; S161-H436 WeakPolarHBondContact OG-CA 3.3Å; S161-H436 PolarHBondContact OG-ND1 2.94Å
162A89.3Confident90.4Very high1 Ų118.2 Ų18.21%0.00810%0.096CC..  trans-62.3174.9160.500000110.8A152 H164 N287 S433A152-A162 HydrophobicContact CB-CB 4Å; A162-H164 PolarHBondContact O-CE1 3.03Å; A162-H164 PolarHBondContact O-N 3.09Å; A162-H164 PolarHBondContact O-ND1 2.87Å; A162-N287 PolarHBondContact O-ND2 3.13Å; A162-S433 WeakPolarHBondContact CB-O 2.98Å
163A89.9Confident90.4Very high4 Ų417.1 Ų17.13%0.0339%0.087CC..  trans-72.6129.9178.200000110.2C142 E146 L155 N287C142-A163 HydrophobicContact CB-CB 3.72Å; E146-A163 HydrophobicContact CG-CB 3.55Å; E146-A163 PolarHBondContact OE1-N 2.97Å; E146-A163 VanDerWaalsContact OE1-N 3.1Å; L155-A163 HydrophobicContact CD2-CB 3.72Å; A163-N287 WeakPolarHBondContact CA-OD1 3.36Å
164H86.7Confident90.4Very high13 Ų1313.6 Ų13.66%0.067%0.069CC..  trans-126.4143.7179.1-6979.8000110.5A162 R166 F167 N287 H436 I503 G504A162-H164 PolarHBondContact O-CE1 3.03Å; A162-H164 PolarHBondContact O-N 3.09Å; A162-H164 PolarHBondContact O-ND1 2.87Å; H164-R166 VanDerWaalsContact C-N 3.26Å; H164-R166 PolarHBondContact O-N 3.43Å; H164-R166 VanDerWaalsContact O-N 3.16Å; H164-F167 HydrophobicContact CB-CD1 3.57Å; H164-F167 HydrophobicContact CB-CE1 3.87Å; H164-F167 HydrophobicContact CB-CG 4.08Å; H164-F167 WeakPolarHBondContact O-CB 3.15Å; H164-F167 PolarHBondContact O-N 3.22Å; H164-N287 PolarHBondContact N-OD1 3.19Å; H164-H436 AromaticContact CD2-CE1 3.7Å; H164-H436 AromaticContact CE1-CE1 3.37Å; H164-H436 PolarHBondContact CE1-CE1 2.78Å; H164-H436 AromaticContact CE1-ND1 3.94Å; H164-H436 AromaticContact CG-CE1 3.75Å; H164-H436 AromaticContact ND1-CE1 3.54Å; H164-H436 AromaticContact NE2-CE1 3.46Å; H164-H436 PolarHBondContact NE2-CE1 2.85Å; H164-I503 PolarHBondContact CD2-O 2.91Å; H164-G504 WeakPolarHBondContact NE2-CA 3.36Å
165L89.1Confident90.2Very high23 Ų2311.8 Ų11.812%0.125%0.054CC..THydrogen-bonded Turntrans-58.5-38-167.5-52.9171000113.1H136 T138 Q139 Q171H136-L165 HydrophobicContact CB-CB 4.24Å; H136-L165 HydrophobicContact CB-CD1 3.68Å; T138-L165 VanDerWaalsContact OG1-C 3.24Å; T138-L165 WeakPolarHBondContact OG1-CA 3.45Å; T138-L165 PolarHBondContact OG1-O 2.81Å; Q139-L165 HydrophobicContact CB-CD2 3.92Å; L165-Q171 PolarHBondContact O-NE2 3.43Å
166R88Confident89.7Confident21 Ų2112.4 Ų12.48%0.0796%0.059CC..THydrogen-bonded Turntrans-77.6-18.4179.572-173.4175-74.5-5114.7H95 W133 H164 H436 I503H95-R166 HydrophobicContact CB-CG 4.49Å; H95-R166 VanDerWaalsContact CB-O 3.23Å; H95-R166 WeakPolarHBondContact CB-O 3.29Å; H95-R166 PolarHBondContact NE2-NE 2.89Å; W133-R166 WeakPolarHBondContact O-CB 3.46Å; W133-R166 WeakPolarHBondContact O-CD 3.47Å; H164-R166 VanDerWaalsContact C-N 3.26Å; H164-R166 PolarHBondContact O-N 3.43Å; H164-R166 VanDerWaalsContact O-N 3.16Å; R166-H436 PolarHBondContact NH2-CE1 2.97Å; R166-H436 VanDerWaalsContact NH2-CE1 3.33Å; R166-H436 PolarHBondContact NH2-NE2 3.16Å; R166-I503 PolarHBondContact NH1-O 3.06Å; R166-I503 PolarHBondContact NH2-O 2.75Å
167F92Very high89.3Confident0 Ų017.8 Ų17.80%08%0.079CC..SBendtrans-63.7146-174.1-8437.6000109.7H95 H164 G169 P170 Q171 G285 N287 H436 F438H95-F167 AromaticContact CE1-CD1 3.76Å; H95-F167 AromaticContact CE1-CE1 3.43Å; H95-F167 VanDerWaalsContact CE1-CE1 3.43Å; H95-F167 WeakPolarHBondContact CE1-CE1 3.49Å; H95-F167 AromaticContact CE1-CZ 4Å; H95-F167 AromaticContact ND1-CD1 3.76Å; H95-F167 AromaticContact ND1-CE1 3.9Å; H164-F167 HydrophobicContact CB-CD1 3.57Å; H164-F167 HydrophobicContact CB-CE1 3.87Å; H164-F167 HydrophobicContact CB-CG 4.08Å; H164-F167 WeakPolarHBondContact O-CB 3.15Å; H164-F167 PolarHBondContact O-N 3.22Å; F167-G169 VanDerWaalsContact C-N 3.3Å; F167-G169 PolarHBondContact O-N 3.49Å; F167-P170 VanDerWaalsContact O-CD 3.25Å; F167-P170 WeakPolarHBondContact O-CD 3.41Å; F167-Q171 WeakPolarHBondContact O-CG 3.43Å; F167-Q171 PolarHBondContact O-N 2.68Å; F167-G285 VanDerWaalsContact CD2-O 3.31Å; F167-G285 WeakPolarHBondContact CD2-O 3.38Å; F167-G285 VanDerWaalsContact CG-O 3.31Å; F167-G285 WeakPolarHBondContact CG-O 3.18Å; F167-N287 WeakPolarHBondContact CB-OD1 3.38Å; F167-N287 HydrophobicContact CD2-CB 4.18Å; F167-N287 WeakPolarHBondContact CD2-ND2 3.45Å; F167-N287 WeakPolarHBondContact CD2-OD1 3.22Å; F167-N287 WeakPolarHBondContact CG-OD1 3.33Å; F167-H436 AromaticContact CE1-CE1 3.81Å; F167-H436 AromaticContact CE1-ND1 3.99Å; F167-H436 AromaticContact CZ-CE1 3.68Å; F167-H436 AromaticContact CZ-ND1 3.39Å; F167-H436 WeakPolarHBondContact CZ-ND1 3.33Å; F167-F438 HydrophobicContact CZ-CE1 4.19Å; F167-F438 HydrophobicContact CZ-CZ 4.28Å
168T93.1Very high89Confident0 Ų016.9 Ų16.90%08%0.075CC..Hα-helixtrans-63.8-34.8-169.6-42.50000112.7H95 Q171 L172 L262 M286H95-T168 PolarHBondContact O-OG1 2.97Å; T168-Q171 PolarHBondContact O-N 3.48Å; T168-L172 HydrophobicContact CG2-CD1 4.07Å; T168-L172 HydrophobicContact CG2-CG 4.11Å; T168-L172 WeakPolarHBondContact O-CB 3.48Å; T168-L172 VanDerWaalsContact O-CG 3.23Å; T168-L172 WeakPolarHBondContact O-CG 3.26Å; T168-L172 PolarHBondContact O-N 3.43Å; T168-L262 HydrophobicContact CG2-CD2 3.97Å; T168-L262 WeakPolarHBondContact OG1-CD2 2.98Å; T168-M286 HydrophobicContact CG2-CE 3.72Å
169G92Very high88.8Confident0 Ų017.3 Ų17.30%08%0.076CC..Hα-helixtrans-56.6-56.9177.400000113.3F167 Q171 L172 L173 M286 V304F167-G169 VanDerWaalsContact C-N 3.3Å; F167-G169 PolarHBondContact O-N 3.49Å; G169-Q171 VanDerWaalsContact C-N 3.33Å; G169-Q171 PolarHBondContact O-N 3.44Å; G169-L172 PolarHBondContact O-N 3.02Å; G169-L173 PolarHBondContact O-N 3.42Å; G169-M286 VanDerWaalsContact CA-O 3.27Å; G169-M286 WeakPolarHBondContact CA-O 3.19Å; G169-M286 PolarHBondContact N-O 3.35Å; G169-V304 WeakPolarHBondContact O-CG1 3.43Å
170P92.6Very high88.4Confident0 Ų020.2 Ų20.20%09%0.094CC..Hα-helixtrans-55.3-41172.3-30.836.4000114.6T138 E141 C142 L145 F167 L173 K174T138-P170 HydrophobicContact CG2-CB 4.48Å; E141-P170 HydrophobicContact CB-CB 4.2Å; C142-P170 VanDerWaalsContact SG-CG 3.58Å; L145-P170 HydrophobicContact CD2-CG 4.18Å; F167-P170 VanDerWaalsContact O-CD 3.25Å; F167-P170 WeakPolarHBondContact O-CD 3.41Å; P170-L173 PolarHBondContact O-N 2.98Å; P170-K174 PolarHBondContact O-N 3.42Å
171Q92.7Very high88.3Confident4 Ų423.3 Ų23.32%0.01912%0.12CC..Hα-helixtrans-62.8-42176.1-66.7-66.1-21.200112.1P131 D135 T138 L165 F167 T168 G169 K174 K175P131-Q171 HydrophobicContact CB-CG 4.48Å; P131-Q171 HydrophobicContact CG-CB 4.44Å; D135-Q171 VanDerWaalsContact CG-NE2 3.32Å; D135-Q171 PolarHBondContact OD1-NE2 3.28Å; T138-Q171 VanDerWaalsContact CG2-CD 3.46Å; T138-Q171 HydrophobicContact CG2-CG 4.25Å; T138-Q171 VanDerWaalsContact CG2-NE2 3.28Å; L165-Q171 PolarHBondContact O-NE2 3.43Å; F167-Q171 WeakPolarHBondContact O-CG 3.43Å; F167-Q171 PolarHBondContact O-N 2.68Å; T168-Q171 PolarHBondContact O-N 3.48Å; G169-Q171 VanDerWaalsContact C-N 3.33Å; G169-Q171 PolarHBondContact O-N 3.44Å; Q171-K174 WeakPolarHBondContact O-CB 3.45Å; Q171-K174 PolarHBondContact O-N 2.93Å; Q171-K175 WeakPolarHBondContact O-CG 3.39Å; Q171-K175 PolarHBondContact O-N 2.97Å
172L89.6Confident88.1Confident1 Ų125 Ų251%0.00513%0.128CC..Hα-helixtrans-65.4-38.9174.7-74177.8000112.6Y99 T168 G169 K174 K175 C176 I260 L288 V304Y99-L172 HydrophobicContact CE1-CD2 3.47Å; Y99-L172 VanDerWaalsContact CE1-CD2 3.47Å; Y99-L172 WeakPolarHBondContact OH-CD2 3.21Å; T168-L172 HydrophobicContact CG2-CD1 4.07Å; T168-L172 HydrophobicContact CG2-CG 4.11Å; T168-L172 WeakPolarHBondContact O-CB 3.48Å; T168-L172 VanDerWaalsContact O-CG 3.23Å; T168-L172 WeakPolarHBondContact O-CG 3.26Å; T168-L172 PolarHBondContact O-N 3.43Å; G169-L172 PolarHBondContact O-N 3.02Å; L172-K174 VanDerWaalsContact C-N 3.3Å; L172-K174 PolarHBondContact O-N 3.36Å; L172-K175 PolarHBondContact O-N 3.32Å; L172-C176 WeakPolarHBondContact O-CB 3.37Å; L172-C176 PolarHBondContact O-N 2.92Å; L172-I260 HydrophobicContact CD1-CD1 4.09Å; L172-I260 HydrophobicContact CD1-CG2 4.41Å; L172-I260 HydrophobicContact CD2-CB 4.48Å; L172-I260 HydrophobicContact CD2-CD1 3.36Å; L172-I260 HydrophobicContact CD2-CG1 3.9Å; L172-I260 HydrophobicContact CD2-CG2 3.96Å; L172-I260 HydrophobicContact CG-CD1 4.35Å; L172-L288 HydrophobicContact CD1-CD1 4.2Å; L172-V304 HydrophobicContact CB-CG1 3.28Å; L172-V304 HydrophobicContact CD1-CG1 4.14Å; L172-V304 HydrophobicContact CG-CG1 4.35Å
173L89.1Confident87.7Confident0 Ų025.4 Ų25.40%013%0.13CC..Hα-helixtrans-63.9-39.4175.5-178.651.3000111.1E141 E144 G169 P170 C176 R177 V303 V304E141-L173 HydrophobicContact CB-CB 4.09Å; E141-L173 HydrophobicContact CB-CD2 3.87Å; E141-L173 HydrophobicContact CB-CG 4.03Å; E141-L173 HydrophobicContact CG-CB 3.93Å; E141-L173 HydrophobicContact CG-CD2 4.04Å; E141-L173 HydrophobicContact CG-CG 3.71Å; E144-L173 HydrophobicContact CB-CD2 4.21Å; E144-L173 HydrophobicContact CG-CD2 4.28Å; G169-L173 PolarHBondContact O-N 3.42Å; P170-L173 PolarHBondContact O-N 2.98Å; L173-C176 PolarHBondContact O-N 2.97Å; L173-R177 HydrophobicContact CD1-CG 3.91Å; L173-R177 WeakPolarHBondContact O-CB 3.18Å; L173-R177 VanDerWaalsContact O-CG 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.36Å; L173-R177 PolarHBondContact O-N 2.59Å; L173-V303 WeakPolarHBondContact CD1-O 3.46Å; L173-V303 HydrophobicContact CD2-CG1 4.07Å; L173-V304 HydrophobicContact CB-CG2 4.42Å
174K91Very high87.2Confident8 Ų828.9 Ų28.94%0.03515%0.148CC..Hα-helixtrans-60.5-50172.8171.5-173.4172.2-170.50110.2E56 S137 T138 E141 P170 Q171 L172 C176 R177 K178E56-K174 VanDerWaalsContact OE1-CE 3.27Å; E56-K174 WeakPolarHBondContact OE1-CE 3.32Å; E56-K174 IonicContact OE1-NZ 2.74Å; E56-K174 PolarHBondContact OE1-NZ 2.85Å; E56-K174 IonicContact OE2-NZ 3.48Å; S137-K174 PolarHBondContact OG-NZ 2.93Å; T138-K174 HydrophobicContact CG2-CB 3.93Å; T138-K174 HydrophobicContact CG2-CD 3.82Å; T138-K174 HydrophobicContact CG2-CG 4.48Å; E141-K174 HydrophobicContact CG-CB 4.06Å; P170-K174 PolarHBondContact O-N 3.42Å; Q171-K174 WeakPolarHBondContact O-CB 3.45Å; Q171-K174 PolarHBondContact O-N 2.93Å; L172-K174 VanDerWaalsContact C-N 3.3Å; L172-K174 PolarHBondContact O-N 3.36Å; K174-C176 PolarHBondContact O-N 3.26Å; K174-R177 PolarHBondContact O-N 2.67Å; K174-K178 HydrophobicContact CG-CD 4.23Å; K174-K178 WeakPolarHBondContact O-CB 3.32Å; K174-K178 PolarHBondContact O-N 2.87Å
175K88.2Confident87Confident11 Ų1132.3 Ų32.35%0.04816%0.164CC..Hα-helixtrans-57.5-46.6176.9-70.1-63.8-174.2-1570112.2Y99 Q171 L172 R177 E179 T180 I182 Y183Y99-K175 HydrophobicContact CE1-CB 4.15Å; Y99-K175 HydrophobicContact CE1-CD 4.5Å; Y99-K175 HydrophobicContact CE1-CG 3.69Å; Y99-K175 WeakPolarHBondContact OH-CG 3.42Å; Q171-K175 WeakPolarHBondContact O-CG 3.39Å; Q171-K175 PolarHBondContact O-N 2.97Å; L172-K175 PolarHBondContact O-N 3.32Å; K175-R177 VanDerWaalsContact C-N 3.29Å; K175-R177 PolarHBondContact O-N 3.39Å; K175-E179 HydrophobicContact CD-CB 4Å; K175-E179 VanDerWaalsContact CD-CD 3.5Å; K175-E179 HydrophobicContact CD-CG 4.29Å; K175-E179 WeakPolarHBondContact CD-OE1 3.44Å; K175-E179 WeakPolarHBondContact CD-OE2 3.45Å; K175-E179 IonicContact NZ-OE1 3.7Å; K175-E179 PolarHBondContact NZ-OE1 3.2Å; K175-E179 IonicContact NZ-OE2 2.75Å; K175-E179 PolarHBondContact NZ-OE2 2.86Å; K175-E179 CarbonylContact O-C 3.56Å; K175-E179 WeakPolarHBondContact O-CA 3.4Å; K175-E179 PolarHBondContact O-N 2.93Å; K175-E179 VanDerWaalsContact O-N 3.11Å; K175-T180 PolarHBondContact O-N 3.12Å; K175-I182 HydrophobicContact CD-CG2 4.43Å; K175-Y183 HydrophobicContact CB-CD2 4.48Å
176C81.2Confident86.4Confident14 Ų1431.5 Ų31.510%0.09516%0.16CC..Hα-helixtrans-62.8-33.3179.4-175.10000113L172 L173 K174 T180 Y183L172-C176 WeakPolarHBondContact O-CB 3.37Å; L172-C176 PolarHBondContact O-N 2.92Å; L173-C176 PolarHBondContact O-N 2.97Å; K174-C176 PolarHBondContact O-N 3.26Å; C176-T180 PolarHBondContact O-OG1 3.04Å; C176-Y183 HydrophobicContact CB-CD1 4.31Å; C176-Y183 HydrophobicContact CB-CD2 3.93Å; C176-Y183 HydrophobicContact CB-CE1 4.36Å; C176-Y183 HydrophobicContact CB-CE2 3.98Å; C176-Y183 HydrophobicContact CB-CG 4.13Å
177R82Confident85.6Confident113 Ų11331.8 Ų31.843%0.42616%0.162SC..Hα-helixtrans-92.9-48.7-175.6-72.4178.765.3179.28.3114.2E144 L173 K174 K175E144-R177 IonicContact OE2-CZ 3.15Å; E144-R177 IonicContact OE2-NH1 3.54Å; E144-R177 PolarHBondContact OE2-NH1 2.88Å; L173-R177 HydrophobicContact CD1-CG 3.91Å; L173-R177 WeakPolarHBondContact O-CB 3.18Å; L173-R177 VanDerWaalsContact O-CG 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.36Å; L173-R177 PolarHBondContact O-N 2.59Å; K174-R177 PolarHBondContact O-N 2.67Å; K175-R177 VanDerWaalsContact C-N 3.29Å; K175-R177 PolarHBondContact O-N 3.39Å
178K86.2Confident84.3Confident107 Ų10734 Ų3447%0.46518%0.181SC..Hα-helixtrans-100.5-26.5-167.9-63.5175.9176.5159.10111.4E140 E141 K174E140-K178 IonicContact OE2-NZ 3.25Å; E140-K178 PolarHBondContact OE2-NZ 3.01Å; E141-K178 WeakPolarHBondContact OE1-CE 3.37Å; E141-K178 IonicContact OE1-NZ 2.69Å; E141-K178 PolarHBondContact OE1-NZ 3.37Å; E141-K178 IonicContact OE2-NZ 3.73Å; K174-K178 HydrophobicContact CG-CD 4.23Å; K174-K178 WeakPolarHBondContact O-CB 3.32Å; K174-K178 PolarHBondContact O-N 2.87Å
179E85.8Confident82.4Confident42 Ų4234.7 Ų34.720%0.19619%0.185CC..  trans-123.146.1-177.1-55.1179.1-120.300111.5K175 A181 I182 Y183K175-E179 HydrophobicContact CD-CB 4Å; K175-E179 VanDerWaalsContact CD-CD 3.5Å; K175-E179 HydrophobicContact CD-CG 4.29Å; K175-E179 WeakPolarHBondContact CD-OE1 3.44Å; K175-E179 WeakPolarHBondContact CD-OE2 3.45Å; K175-E179 IonicContact NZ-OE1 3.7Å; K175-E179 PolarHBondContact NZ-OE1 3.2Å; K175-E179 IonicContact NZ-OE2 2.75Å; K175-E179 PolarHBondContact NZ-OE2 2.86Å; K175-E179 CarbonylContact O-C 3.56Å; K175-E179 WeakPolarHBondContact O-CA 3.4Å; K175-E179 PolarHBondContact O-N 2.93Å; K175-E179 VanDerWaalsContact O-N 3.11Å; E179-A181 PolarHBondContact O-N 2.67Å; E179-I182 HydrophobicContact CB-CB 4.47Å; E179-I182 HydrophobicContact CB-CD1 4.22Å; E179-I182 PolarHBondContact O-N 2.97Å; E179-I182 WeakPolarHBondContact OE2-CD1 3.35Å; E179-Y183 PolarHBondContact O-N 3.36Å; E179-Y183 VanDerWaalsContact O-N 3.13Å
180T82.2Confident80.2Confident61 Ų6139.7 Ų39.737%0.37421%0.212SC..Hα-helixtrans-56.9-28.4-169.8-52.70000113.3K175 C176 N184K175-T180 PolarHBondContact O-N 3.12Å; C176-T180 PolarHBondContact O-OG1 3.04Å; T180-N184 VanDerWaalsContact O-CB 3.32Å; T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 2.8Å; T180-N184 PolarHBondContact O-ND2 2.94Å
181A85Confident77.7Confident67 Ų6740.2 Ų40.255%0.55422%0.216SC*.Hα-helixtrans-63.2-51.3175.100000111.6E179 Y183 N184 E185E179-A181 PolarHBondContact O-N 2.67Å; A181-Y183 VanDerWaalsContact C-N 3.33Å; A181-Y183 PolarHBondContact O-N 2.8Å; A181-N184 PolarHBondContact O-N 3.17Å; A181-E185 PolarHBondContact O-N 3.31Å
182I85.5Confident74.9Confident35 Ų3545.2 Ų45.218%0.17924%0.242CC..Hα-helixtrans-58.6-47.6176-69.3166.5000109.9A126 T127 K175 E179 E185 T186A126-I182 HydrophobicContact CB-CG2 4.15Å; A126-I182 WeakPolarHBondContact CB-O 3.34Å; T127-I182 HydrophobicContact CG2-CG2 4.1Å; K175-I182 HydrophobicContact CD-CG2 4.43Å; E179-I182 HydrophobicContact CB-CB 4.47Å; E179-I182 HydrophobicContact CB-CD1 4.22Å; E179-I182 PolarHBondContact O-N 2.97Å; E179-I182 WeakPolarHBondContact OE2-CD1 3.35Å; I182-E185 PolarHBondContact O-N 3.29Å; I182-T186 PolarHBondContact O-N 2.88Å
183Y80Confident72.3Confident9 Ų950.1 Ų50.14%0.03526%0.263CS..Hα-helixtrans-55.4-58.4176.3-167.6-98.9000109.2K175 C176 E179 A181 E185 T186 Q258 C305K175-Y183 HydrophobicContact CB-CD2 4.48Å; C176-Y183 HydrophobicContact CB-CD1 4.31Å; C176-Y183 HydrophobicContact CB-CD2 3.93Å; C176-Y183 HydrophobicContact CB-CE1 4.36Å; C176-Y183 HydrophobicContact CB-CE2 3.98Å; C176-Y183 HydrophobicContact CB-CG 4.13Å; E179-Y183 PolarHBondContact O-N 3.36Å; E179-Y183 VanDerWaalsContact O-N 3.13Å; A181-Y183 VanDerWaalsContact C-N 3.33Å; A181-Y183 PolarHBondContact O-N 2.8Å; Y183-E185 VanDerWaalsContact C-N 3.26Å; Y183-E185 PolarHBondContact O-N 3.26Å; Y183-E185 VanDerWaalsContact O-N 3.1Å; Y183-T186 PolarHBondContact O-N 3.22Å; Y183-T186 PolarHBondContact O-OG1 3.04Å; Y183-Q258 VanDerWaalsContact C-NE2 3.27Å; Y183-Q258 VanDerWaalsContact C-OE1 3.31Å; Y183-Q258 VanDerWaalsContact CD1-NE2 3.33Å; Y183-Q258 VanDerWaalsContact CE1-CD 3.41Å; Y183-Q258 PolarHBondContact O-NE2 3.25Å; Y183-Q258 PolarHBondContact O-OE1 3.25Å; Y183-C305 WeakPolarHBondContact OH-CA 3.17Å; Y183-C305 PolarHBondContact OH-O 3.25Å
184N78.6Confident69.6Low78 Ų7855 Ų5542%0.41730%0.304SS..Hα-helixtrans-59.6-27-177.2-71.5-26.8000115.8T180 A181 T186 K307T180-N184 VanDerWaalsContact O-CB 3.32Å; T180-N184 WeakPolarHBondContact O-CB 3.46Å; T180-N184 PolarHBondContact O-N 2.8Å; T180-N184 PolarHBondContact O-ND2 2.94Å; A181-N184 PolarHBondContact O-N 3.17Å; N184-T186 VanDerWaalsContact C-N 3.31Å; N184-K307 WeakPolarHBondContact OD1-CE 3.26Å; N184-K307 PolarHBondContact OD1-NZ 3.47Å
185E82.5Confident66.6Low85 Ų8563 Ų6340%0.39734%0.341SS..Hα-helixtrans-75.3-18.8176.1-78.2-169.7-148.900113.7K101 S102 A126 A181 I182 Y183K101-E185 WeakPolarHBondContact CE-OE2 3.33Å; K101-E185 IonicContact NZ-OE2 3.74Å; K101-E185 PolarHBondContact NZ-OE2 2.7Å; S102-E185 PolarHBondContact N-O 3.23Å; S102-E185 VanDerWaalsContact N-O 3.13Å; A126-E185 HydrophobicContact CB-CB 3.98Å; A181-E185 PolarHBondContact O-N 3.31Å; I182-E185 PolarHBondContact O-N 3.29Å; Y183-E185 VanDerWaalsContact C-N 3.26Å; Y183-E185 PolarHBondContact O-N 3.26Å; Y183-E185 VanDerWaalsContact O-N 3.1Å
186T77.1Confident63.9Low5 Ų567.2 Ų67.23%0.03136%0.357CS..BIsolated β-bridgetrans-68.2143.8178.8540000112.5Y99 W100 A126 I182 Y183 N184 A188 Q258Y99-T186 HydrophobicContact CD1-CG2 4.05Å; Y99-T186 HydrophobicContact CG-CG2 4.31Å; W100-T186 CarbonylContact O-C 3.46Å; W100-T186 WeakPolarHBondContact O-CA 2.9Å; W100-T186 WeakPolarHBondContact O-CB 3.03Å; A126-T186 HydrophobicContact CB-CG2 3.44Å; A126-T186 VanDerWaalsContact CB-CG2 3.44Å; I182-T186 PolarHBondContact O-N 2.88Å; Y183-T186 PolarHBondContact O-N 3.22Å; Y183-T186 PolarHBondContact O-OG1 3.04Å; N184-T186 VanDerWaalsContact C-N 3.31Å; T186-A188 PolarHBondContact O-N 3.43Å; T186-A188 VanDerWaalsContact O-N 3.13Å; T186-Q258 WeakPolarHBondContact OG1-CB 3.4Å; T186-Q258 WeakPolarHBondContact OG1-CG 3.19Å; T186-Q258 PolarHBondContact OG1-OE1 2.86Å
187E71.7Confident61.3Low28 Ų2870.7 Ų70.713%0.13138%0.379CS..  trans-57.4115.3-174.9-174.3137.5-139.700110.5W100 G103 A104 E105 S189 Q258 R259 Y275W100-E187 PolarHBondContact O-N 3.09Å; G103-E187 VanDerWaalsContact N-CD 3.32Å; G103-E187 PolarHBondContact N-OE1 3.13Å; G103-E187 PolarHBondContact N-OE2 3.44Å; A104-E187 PolarHBondContact N-OE2 3.1Å; E105-E187 PolarHBondContact N-OE2 2.74Å; E105-E187 VanDerWaalsContact N-OE2 3.16Å; E187-S189 PolarHBondContact O-N 2.73Å; E187-Q258 CarbonylContact O-C 3.53Å; E187-Q258 VanDerWaalsContact O-CA 3.3Å; E187-Q258 WeakPolarHBondContact O-CA 3.48Å; E187-R259 HydrophobicContact CB-CB 4.14Å; E187-R259 PolarHBondContact O-N 3.41Å; E187-Y275 PolarHBondContact OE2-OH 2.71Å
188A63.7Low59.1Low47 Ų4771 Ų7139%0.38839%0.388SS..BIsolated β-bridgetrans-71.3124.9170.100000108.4T186 N190 S256T186-A188 PolarHBondContact O-N 3.43Å; T186-A188 VanDerWaalsContact O-N 3.13Å; A188-N190 PolarHBondContact O-N 3.05Å; A188-S256 WeakPolarHBondContact CB-OG 3.42Å
189S53.9Low56.6Low14 Ų1473.9 Ų73.910%0.09840%0.403CS..  trans-53126.9165.3480000108.6E187 P191 S256 F257 S344 S345E187-S189 PolarHBondContact O-N 2.73Å; S189-P191 WeakPolarHBondContact O-CD 3.3Å; S189-S256 WeakPolarHBondContact O-CB 3.28Å; S189-F257 PolarHBondContact N-O 2.75Å; S189-F257 PolarHBondContact OG-N 2.96Å; S189-F257 PolarHBondContact OG-O 3.16Å; S189-S344 VanDerWaalsContact CB-OG 3.31Å; S189-S344 WeakPolarHBondContact CB-OG 3.38Å; S189-S344 PolarHBondContact OG-OG 3.04Å; S189-S345 WeakPolarHBondContact OG-CB 3.05Å
190N45.6Very low54.1Low104 Ų10481.4 Ų81.456%0.55643%0.431SS*.  trans-9493.8177.4-169.6-3.4000108.6A188 L192 F193A188-N190 PolarHBondContact O-N 3.05Å; N190-L192 PolarHBondContact O-N 3.3Å; N190-F193 WeakPolarHBondContact OD1-CB 3.07Å; N190-F193 PolarHBondContact OD1-N 3.36Å
191P39.9Very low52.1Low12 Ų1284.7 Ų84.78%0.07844%0.442CS..  trans-68.6108168.827.9-31.6000107.7S189 F193S189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-F193 PolarHBondContact O-N 3.08Å
192L35.1Very low49.7Very low109 Ų10990.5 Ų90.557%0.57145%0.45SS*.SBendtrans80.90.5157-64.5152000120.5N190 A194 L249N190-L192 PolarHBondContact O-N 3.3Å; L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 2.8Å; L192-L249 HydrophobicContact CD1-CD2 4.1Å
193F34.5Very low47.2Very low103 Ų10392.5 Ų92.545%0.45247%0.472SS..G310 helixtrans-74.1-4-179-89.9-86.6000116.9N190 P191 Q195 W196 H253N190-F193 WeakPolarHBondContact OD1-CB 3.07Å; N190-F193 PolarHBondContact OD1-N 3.36Å; P191-F193 PolarHBondContact O-N 3.08Å; F193-Q195 PolarHBondContact O-N 2.93Å; F193-W196 HydrophobicContact CD1-CB 4.05Å; F193-W196 HydrophobicContact CD1-CD2 4.48Å; F193-W196 HydrophobicContact CD1-CE3 4.35Å; F193-W196 HydrophobicContact CD1-CG 4.38Å; F193-W196 HydrophobicContact CE1-CB 4.35Å; F193-W196 HydrophobicContact CE1-CD2 4.02Å; F193-W196 AromaticContact CE1-CE3 3.98Å; F193-W196 HydrophobicContact CE1-CE3 3.98Å; F193-W196 HydrophobicContact CE1-CG 4.19Å; F193-W196 HydrophobicContact CZ-CE3 4.16Å; F193-W196 HydrophobicContact CZ-CZ3 4.38Å; F193-H253 AromaticContact CE2-ND1 3.86Å
194A31.1Very low45.1Very low103 Ų10396.8 Ų96.885%0.85150%0.503SS*.G310 helixtrans-73.6-3.8176.400000114.4L192L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 2.8Å
195Q28.8Very low43Very low176 Ų17697.8 Ų97.882%0.82251%0.507SS*.G310 helixtrans-132.415.5179.3-72.7-174.6-13.700114.5F193 P197F193-Q195 PolarHBondContact O-N 2.93Å; Q195-P197 WeakPolarHBondContact O-CD 3.36Å
196W30.5Very low40.6Very low100 Ų100102 Ų10238%0.37953%0.525SS..  trans-72117.2178.1-153.7-77.8000110.7F193 I198 L249F193-W196 HydrophobicContact CD1-CB 4.05Å; F193-W196 HydrophobicContact CD1-CD2 4.48Å; F193-W196 HydrophobicContact CD1-CE3 4.35Å; F193-W196 HydrophobicContact CD1-CG 4.38Å; F193-W196 HydrophobicContact CE1-CB 4.35Å; F193-W196 HydrophobicContact CE1-CD2 4.02Å; F193-W196 AromaticContact CE1-CE3 3.98Å; F193-W196 HydrophobicContact CE1-CE3 3.98Å; F193-W196 HydrophobicContact CE1-CG 4.19Å; F193-W196 HydrophobicContact CZ-CE3 4.16Å; F193-W196 HydrophobicContact CZ-CZ3 4.38Å; W196-I198 PolarHBondContact O-N 3.36Å; W196-I198 VanDerWaalsContact O-N 3.13Å; W196-L249 HydrophobicContact CH2-CD1 4.17Å; W196-L249 HydrophobicContact CZ3-CD1 4.19Å
197P27.9Very low38.5Very low87 Ų87110.8 Ų110.857%0.56557%0.565SS**  trans-71.9109.1168.1-6.124.6000107.3Q195 E199Q195-P197 WeakPolarHBondContact O-CD 3.36Å; P197-E199 PolarHBondContact O-N 3.4Å
198I35.9Very low36.7Very low120 Ų120116.4 Ų116.462%0.61559%0.591SS**THydrogen-bonded Turntrans-60-5.5174.5-71.6168.7000112.1W196 Y200W196-I198 PolarHBondContact O-N 3.36Å; W196-I198 VanDerWaalsContact O-N 3.13Å; I198-Y200 PolarHBondContact O-N 3.2Å
199E33.6Very low35.2Very low167 Ų167122.7 Ų122.778%0.7861%0.613SS**THydrogen-bonded Turntrans-76.7-22-172.4-63.8-177.7171.900114.7P197P197-E199 PolarHBondContact O-N 3.4Å
200Y33.4Very low34.3Very low200 Ų200127.2 Ų127.278%0.78464%0.643SS**THydrogen-bonded Turntrans-85.4-21.8-177.2-117.6-93.2000114.9I198I198-Y200 PolarHBondContact O-N 3.2Å
201E38.9Very low33.6Very low130 Ų130129 Ų12961%0.60765%0.646SS**THydrogen-bonded Turntrans-82.9-19.2-178-124.9170.9-174.300113.1A203E201-A203 VanDerWaalsContact C-N 3.32Å; E201-A203 PolarHBondContact O-N 3.18Å
202R35.5Very low33.3Very low188 Ų188132.4 Ų132.471%0.70968%0.675SS**THydrogen-bonded Turntrans-78.8-10.8176-74.3-176.5176.2175.9-0114.3
203A34Very low33.5Very low77 Ų77136.4 Ų136.464%0.63669%0.691SS**THydrogen-bonded Turntrans-97.9-18.3-169.500000115.1E201E201-A203 VanDerWaalsContact C-N 3.32Å; E201-A203 PolarHBondContact O-N 3.18Å
204S35.3Very low33.6Very low99 Ų99142.1 Ų142.169%0.69271%0.709SS**THydrogen-bonded Turntrans-130.9-3.6-171.8500000115.8
205I34.9Very low33.9Very low99 Ų99139 Ų13951%0.50868%0.679SS.*  trans-11955.6173.6-48.6179.4000109.2Q207I205-Q207 PolarHBondContact O-N 3.48Å
206K31.4Very low35Very low175 Ų175134.2 Ų134.276%0.76166%0.659SS**  trans-8783.3165.4-76.8-175.4176.31790108.6
207Q33.6Very low36.1Very low188 Ų188136.6 Ų136.688%0.87967%0.669SS**SBendtrans179.5-2.2146.7-103.7172.10.200117.3I205I205-Q207 PolarHBondContact O-N 3.48Å
208E33.4Very low37.2Very low146 Ų146133.4 Ų133.468%0.68265%0.647SS**  trans-136.745.1-178.2-69-170.5161.800114.9C210 F211E208-C210 PolarHBondContact O-N 2.92Å; E208-F211 PolarHBondContact O-N 2.87Å
209E31.9Very low38.2Very low180 Ų180132.4 Ų132.484%0.84164%0.64SS**THydrogen-bonded Turntrans-67.713.1-178.8-76.8-175.9148.600115.9
210C35.2Very low39.3Very low109 Ų109127.9 Ų127.974%0.73662%0.62SS**THydrogen-bonded Turntrans-113-4.3174.6-145.40000114.2E208E208-C210 PolarHBondContact O-N 2.92Å
211F31Very low40.4Very low142 Ų142118.5 Ų118.562%0.62358%0.584SS**SBendtrans-92.6-29.5-173-142.5-107.1000113.8E208 E213 R214 V215E208-F211 PolarHBondContact O-N 2.87Å; F211-E213 PolarHBondContact O-N 3.31Å; F211-R214 PolarHBondContact O-N 2.76Å; F211-V215 HydrophobicContact CD1-CG2 3.32Å; F211-V215 HydrophobicContact CE1-CG2 3.38Å; F211-V215 HydrophobicContact CG-CG2 4.21Å; F211-V215 HydrophobicContact CZ-CG2 4.32Å; F211-V215 VanDerWaalsContact O-CG2 3.25Å; F211-V215 WeakPolarHBondContact O-CG2 3.43Å; F211-V215 PolarHBondContact O-N 3.32Å
212A34.4Very low41.4Very low82 Ų82116.9 Ų116.968%0.67857%0.572SS**THydrogen-bonded Turntrans-67.7-28.1-171.900000114.8
213E37.8Very low42.4Very low193 Ų193110.1 Ų110.190%0.90256%0.556SS**THydrogen-bonded Turntrans-80.9-12.8-177.6-73.3-172.5153.900114.6F211F211-E213 PolarHBondContact O-N 3.31Å
214R36.2Very low43.6Very low224 Ų224110.9 Ų110.985%0.84554%0.543SS*.THydrogen-bonded Turntrans-115.8-7.2-178.3-66.4-174.5-163.8-165.14.7114.7F211 N216F211-R214 PolarHBondContact O-N 2.76Å; R214-N216 PolarHBondContact O-N 2.86Å
215V38.9Very low44.9Very low36 Ų36106.3 Ų106.322%0.21851%0.512CS..SBendtrans-82.5107.9179.6178.10000109.5F211 R217 H219 L220F211-V215 HydrophobicContact CD1-CG2 3.32Å; F211-V215 HydrophobicContact CE1-CG2 3.38Å; F211-V215 HydrophobicContact CG-CG2 4.21Å; F211-V215 HydrophobicContact CZ-CG2 4.32Å; F211-V215 VanDerWaalsContact O-CG2 3.25Å; F211-V215 WeakPolarHBondContact O-CG2 3.43Å; F211-V215 PolarHBondContact O-N 3.32Å; V215-R217 PolarHBondContact O-N 2.89Å; V215-R217 VanDerWaalsContact O-N 3.08Å; V215-H219 HydrophobicContact CG1-CB 3.53Å; V215-L220 HydrophobicContact CG1-CD1 4.28Å
216N51Low46.2Very low76 Ų76105.8 Ų105.841%0.40651%0.509SS..  trans-41.2118.4168.5175.7-14.1000109.5R214 V218 H219R214-N216 PolarHBondContact O-N 2.86Å; N216-V218 CarbonylContact O-C 3.42Å; N216-V218 PolarHBondContact O-N 2.91Å; N216-V218 WeakPolarHBondContact OD1-CB 3.3Å; N216-V218 WeakPolarHBondContact OD1-CG2 3.24Å; N216-V218 PolarHBondContact OD1-N 2.72Å; N216-H219 WeakPolarHBondContact O-CB 3.42Å; N216-H219 PolarHBondContact O-N 2.88Å
217R53.2Low47.5Very low151 Ų151101 Ų10157%0.5749%0.491SS*.Hα-helixtrans-44.1-29.6-173.1-69.2-177.6-178.6-169.4-2.5113.7V215 H219 L220 I221V215-R217 PolarHBondContact O-N 2.89Å; V215-R217 VanDerWaalsContact O-N 3.08Å; R217-H219 PolarHBondContact O-N 3.36Å; R217-L220 WeakPolarHBondContact O-CB 3.42Å; R217-L220 PolarHBondContact O-N 2.85Å; R217-I221 WeakPolarHBondContact O-CG1 3.25Å; R217-I221 PolarHBondContact O-N 3.13Å; R217-I221 VanDerWaalsContact O-N 3.13Å
218V52.9Low48.7Very low19 Ų1992.2 Ų92.212%0.11545%0.451CS..Hα-helixtrans-55.8-42.1172.1167.10000114.2N216 I221 R222 Q309 C313N216-V218 CarbonylContact O-C 3.42Å; N216-V218 PolarHBondContact O-N 2.91Å; N216-V218 WeakPolarHBondContact OD1-CB 3.3Å; N216-V218 WeakPolarHBondContact OD1-CG2 3.24Å; N216-V218 PolarHBondContact OD1-N 2.72Å; V218-I221 PolarHBondContact O-N 3.02Å; V218-R222 PolarHBondContact O-N 3.08Å; V218-Q309 HydrophobicContact CG2-CB 3.8Å; V218-Q309 HydrophobicContact CG2-CG 4.41Å; V218-C313 VanDerWaalsContact CG1-SG 3.53Å
219H55.5Low49.9Very low99 Ų9986.8 Ų86.846%0.45843%0.426SS..Hα-helixtrans-69.7-36.5178.6-7193.2000111.5V215 N216 R217 I221 R222 A223V215-H219 HydrophobicContact CG1-CB 3.53Å; N216-H219 WeakPolarHBondContact O-CB 3.42Å; N216-H219 PolarHBondContact O-N 2.88Å; R217-H219 PolarHBondContact O-N 3.36Å; H219-I221 VanDerWaalsContact C-N 3.33Å; H219-I221 PolarHBondContact O-N 3.2Å; H219-R222 PolarHBondContact O-N 2.87Å; H219-A223 WeakPolarHBondContact O-CB 3.13Å; H219-A223 PolarHBondContact O-N 3.34Å
220L56.4Low51.1Low72 Ų7285.6 Ų85.638%0.37742%0.418SS..Hα-helixtrans-61-45.3173.8-134104.5000110.5V215 R217 R222 A223 Y224 M250V215-L220 HydrophobicContact CG1-CD1 4.28Å; R217-L220 WeakPolarHBondContact O-CB 3.42Å; R217-L220 PolarHBondContact O-N 2.85Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.17Å; L220-A223 PolarHBondContact O-N 3.44Å; L220-Y224 HydrophobicContact CD2-CD2 4.18Å; L220-Y224 HydrophobicContact CD2-CE2 4.02Å; L220-Y224 HydrophobicContact CG-CD2 4.4Å; L220-Y224 HydrophobicContact CG-CE2 4.47Å; L220-Y224 WeakPolarHBondContact O-CB 3.28Å; L220-Y224 WeakPolarHBondContact O-CD2 3.19Å; L220-Y224 PolarHBondContact O-N 2.85Å; L220-M250 HydrophobicContact CD2-SD 4.34Å
221I58.1Low52.1Low4 Ų487 Ų872%0.02141%0.409CS..Hα-helixtrans-59.3-43.2175.3-60.8165.9000111.5R217 V218 H219 A225 F247 M250 V254 C313 I317R217-I221 WeakPolarHBondContact O-CG1 3.25Å; R217-I221 PolarHBondContact O-N 3.13Å; R217-I221 VanDerWaalsContact O-N 3.13Å; V218-I221 PolarHBondContact O-N 3.02Å; H219-I221 VanDerWaalsContact C-N 3.33Å; H219-I221 PolarHBondContact O-N 3.2Å; I221-A225 WeakPolarHBondContact O-CB 3.39Å; I221-A225 PolarHBondContact O-N 3.46Å; I221-F247 HydrophobicContact CG2-CE2 4.33Å; I221-F247 HydrophobicContact CG2-CZ 4.5Å; I221-M250 HydrophobicContact CB-CE 4.1Å; I221-M250 HydrophobicContact CB-SD 4.46Å; I221-M250 HydrophobicContact CG1-CE 3.97Å; I221-M250 HydrophobicContact CG1-CG 4.44Å; I221-M250 HydrophobicContact CG1-SD 4.01Å; I221-M250 HydrophobicContact CG2-CE 4.15Å; I221-V254 HydrophobicContact CD1-CB 4.03Å; I221-V254 HydrophobicContact CD1-CG1 3.65Å; I221-V254 HydrophobicContact CD1-CG2 3.51Å; I221-V254 HydrophobicContact CG1-CG2 3.97Å; I221-C313 HydrophobicContact CG2-CB 4.4Å; I221-I317 HydrophobicContact CG2-CD1 4.06Å
222R60Low53.2Low96 Ų9682.1 Ų82.136%0.36239%0.389SS..Hα-helixtrans-64.5-45.6177.6-77.9179.2167.6173.4-5.2112V218 H219 L220 A225 I226 W316V218-R222 PolarHBondContact O-N 3.08Å; H219-R222 PolarHBondContact O-N 2.87Å; L220-R222 VanDerWaalsContact C-N 3.31Å; L220-R222 PolarHBondContact O-N 3.17Å; R222-A225 PolarHBondContact O-N 2.68Å; R222-I226 WeakPolarHBondContact O-CD1 3.48Å; R222-I226 VanDerWaalsContact O-CG1 3.24Å; R222-I226 WeakPolarHBondContact O-CG1 3.36Å; R222-I226 PolarHBondContact O-N 3.08Å; R222-W316 HydrophobicContact CB-CH2 4.03Å; R222-W316 HydrophobicContact CB-CZ3 4.16Å; R222-W316 HydrophobicContact CG-CD2 4.46Å; R222-W316 HydrophobicContact CG-CE3 4.05Å; R222-W316 HydrophobicContact CG-CH2 3.93Å; R222-W316 HydrophobicContact CG-CZ2 4.32Å; R222-W316 HydrophobicContact CG-CZ3 3.79Å
223A56Low54.1Low45 Ų4583.7 Ų83.737%0.37239%0.39SS..Hα-helixtrans-61.8-48.6178.500000110.9H219 L220 A225 I226 I227H219-A223 WeakPolarHBondContact O-CB 3.13Å; H219-A223 PolarHBondContact O-N 3.34Å; L220-A223 PolarHBondContact O-N 3.44Å; A223-A225 PolarHBondContact O-N 3Å; A223-I226 WeakPolarHBondContact O-CB 3.46Å; A223-I226 PolarHBondContact O-N 3.21Å; A223-I227 VanDerWaalsContact O-CG1 3.27Å; A223-I227 WeakPolarHBondContact O-CG1 3.5Å; A223-I227 PolarHBondContact O-N 3.45Å
224Y59.1Low54.8Low93 Ų9380 Ų8037%0.36538%0.377SS..Hα-helixtrans-62.8-42.6176.4-94-85.1000112.2L220 I226 I227 S228 M250L220-Y224 HydrophobicContact CD2-CD2 4.18Å; L220-Y224 HydrophobicContact CD2-CE2 4.02Å; L220-Y224 HydrophobicContact CG-CD2 4.4Å; L220-Y224 HydrophobicContact CG-CE2 4.47Å; L220-Y224 WeakPolarHBondContact O-CB 3.28Å; L220-Y224 WeakPolarHBondContact O-CD2 3.19Å; L220-Y224 PolarHBondContact O-N 2.85Å; Y224-I226 VanDerWaalsContact C-N 3.32Å; Y224-I226 PolarHBondContact O-N 3.37Å; Y224-I227 PolarHBondContact O-N 2.97Å; Y224-S228 WeakPolarHBondContact O-CB 3.33Å; Y224-S228 PolarHBondContact O-N 3.46Å; Y224-S228 PolarHBondContact O-OG 3.26Å; Y224-M250 HydrophobicContact CD2-SD 3.91Å; Y224-M250 HydrophobicContact CG-CE 4.31Å; Y224-M250 HydrophobicContact CG-SD 4.06Å
225A61.8Low55.5Low4 Ų478.8 Ų78.83%0.03338%0.381CS..Hα-helixtrans-59.6-42.8173.900000111.5I221 R222 A223 I227 S228 L229 F247 W316I221-A225 WeakPolarHBondContact O-CB 3.39Å; I221-A225 PolarHBondContact O-N 3.46Å; R222-A225 PolarHBondContact O-N 2.68Å; A223-A225 PolarHBondContact O-N 3Å; A225-I227 VanDerWaalsContact C-N 3.35Å; A225-I227 PolarHBondContact O-N 3.46Å; A225-S228 PolarHBondContact O-N 3.42Å; A225-L229 VanDerWaalsContact O-CB 3.27Å; A225-L229 WeakPolarHBondContact O-CB 3.18Å; A225-L229 WeakPolarHBondContact O-CD1 3.48Å; A225-L229 WeakPolarHBondContact O-CG 3.33Å; A225-L229 PolarHBondContact O-N 3.06Å; A225-F247 HydrophobicContact CB-CE2 3.94Å; A225-F247 HydrophobicContact CB-CZ 4.27Å; A225-W316 HydrophobicContact CB-CH2 4.24Å; A225-W316 HydrophobicContact CB-CZ3 3.69Å
226I63.1Low56Low87 Ų8780.8 Ų80.845%0.44640%0.395SS..Hα-helixtrans-61.8-44175.7-70.1162.9000110.9R222 A223 Y224 L229 K230 W316R222-I226 WeakPolarHBondContact O-CD1 3.48Å; R222-I226 VanDerWaalsContact O-CG1 3.24Å; R222-I226 WeakPolarHBondContact O-CG1 3.36Å; R222-I226 PolarHBondContact O-N 3.08Å; A223-I226 WeakPolarHBondContact O-CB 3.46Å; A223-I226 PolarHBondContact O-N 3.21Å; Y224-I226 VanDerWaalsContact C-N 3.32Å; Y224-I226 PolarHBondContact O-N 3.37Å; I226-L229 PolarHBondContact O-N 3.13Å; I226-K230 PolarHBondContact O-N 3.09Å; I226-W316 HydrophobicContact CD1-CH2 4.35Å; I226-W316 HydrophobicContact CG1-CH2 4.02Å
227I57.8Low56.4Low76 Ų7683.8 Ų83.839%0.3941%0.411SS..Hα-helixtrans-61.6-52177.4-69.8166.6000109.7A223 Y224 A225 L229 K230 Y231A223-I227 VanDerWaalsContact O-CG1 3.27Å; A223-I227 WeakPolarHBondContact O-CG1 3.5Å; A223-I227 PolarHBondContact O-N 3.45Å; Y224-I227 PolarHBondContact O-N 2.97Å; A225-I227 VanDerWaalsContact C-N 3.35Å; A225-I227 PolarHBondContact O-N 3.46Å; I227-L229 PolarHBondContact O-N 3.3Å; I227-K230 PolarHBondContact O-N 3.01Å; I227-K230 VanDerWaalsContact O-N 3.08Å; I227-Y231 HydrophobicContact CG2-CD2 3.68Å; I227-Y231 HydrophobicContact CG2-CE2 3.81Å; I227-Y231 VanDerWaalsContact O-CD2 3.31Å; I227-Y231 WeakPolarHBondContact O-CD2 3.33Å; I227-Y231 PolarHBondContact O-N 2.88Å
228S58.2Low56.6Low3 Ų383.6 Ų83.62%0.02142%0.421CS..Hα-helixtrans-55.5-41.8178.2-55.60000112.2Y224 A225 L232 I243Y224-S228 WeakPolarHBondContact O-CB 3.33Å; Y224-S228 PolarHBondContact O-N 3.46Å; Y224-S228 PolarHBondContact O-OG 3.26Å; A225-S228 PolarHBondContact O-N 3.42Å; S228-L232 WeakPolarHBondContact O-CB 3.26Å; S228-L232 WeakPolarHBondContact O-CD1 3.12Å; S228-L232 WeakPolarHBondContact O-CG 3.22Å; S228-L232 PolarHBondContact O-N 3.06Å; S228-I243 VanDerWaalsContact CB-CG2 3.49Å; S228-I243 WeakPolarHBondContact OG-CG2 3.44Å
229L59.2Low56.8Low32 Ų3285.6 Ų85.617%0.16843%0.433CS..Hα-helixtrans-74-29.5-180-68.3171.4000113.3A225 I226 I227 L232 I320 L324A225-L229 VanDerWaalsContact O-CB 3.27Å; A225-L229 WeakPolarHBondContact O-CB 3.18Å; A225-L229 WeakPolarHBondContact O-CD1 3.48Å; A225-L229 WeakPolarHBondContact O-CG 3.33Å; A225-L229 PolarHBondContact O-N 3.06Å; I226-L229 PolarHBondContact O-N 3.13Å; I227-L229 PolarHBondContact O-N 3.3Å; L229-L232 HydrophobicContact CD2-CD1 4.07Å; L229-I320 HydrophobicContact CD1-CB 4.22Å; L229-I320 HydrophobicContact CD1-CD1 4.48Å; L229-I320 HydrophobicContact CD1-CG2 3.26Å; L229-I320 HydrophobicContact CG-CG2 4.49Å; L229-L324 HydrophobicContact CB-CD1 4.04Å; L229-L324 HydrophobicContact CD1-CD1 3.88Å; L229-L324 HydrophobicContact CD2-CD1 3.28Å; L229-L324 HydrophobicContact CG-CD1 3.9Å
230K57.5Low56.7Low155 Ų15583.6 Ų83.667%0.67442%0.422SS*.Hα-helixtrans-70.3-48.1172.2-96.6-172.6171.7-173.40111.7I226 I227 L232 T233I226-K230 PolarHBondContact O-N 3.09Å; I227-K230 PolarHBondContact O-N 3.01Å; I227-K230 VanDerWaalsContact O-N 3.08Å; K230-L232 PolarHBondContact O-N 3.49Å; K230-T233 PolarHBondContact O-N 2.97Å; K230-T233 PolarHBondContact O-OG1 2.92Å
231Y55.9Low56.8Low139 Ų13986.6 Ų86.655%0.54543%0.432SS..Hα-helixtrans-71.9-14.9-176.6-79.8-77.3000114.1I227 T233 D234 I243I227-Y231 HydrophobicContact CG2-CD2 3.68Å; I227-Y231 HydrophobicContact CG2-CE2 3.81Å; I227-Y231 VanDerWaalsContact O-CD2 3.31Å; I227-Y231 WeakPolarHBondContact O-CD2 3.33Å; I227-Y231 PolarHBondContact O-N 2.88Å; Y231-T233 PolarHBondContact O-N 3.48Å; Y231-T233 VanDerWaalsContact O-N 3.14Å; Y231-D234 PolarHBondContact O-N 3.33Å; Y231-I243 HydrophobicContact CD2-CD1 4.29Å; Y231-I243 HydrophobicContact CG-CD1 4.17Å
232L54.1Low56.9Low39 Ų3992.3 Ų92.320%0.20446%0.458CS..THydrogen-bonded Turntrans-66.1-6.9174.2-98.9162.2000114.9S228 L229 K230 Y240 Q326 W329S228-L232 WeakPolarHBondContact O-CB 3.26Å; S228-L232 WeakPolarHBondContact O-CD1 3.12Å; S228-L232 WeakPolarHBondContact O-CG 3.22Å; S228-L232 PolarHBondContact O-N 3.06Å; L229-L232 HydrophobicContact CD2-CD1 4.07Å; K230-L232 PolarHBondContact O-N 3.49Å; L232-Y240 HydrophobicContact CD1-CE2 4.19Å; L232-Y240 HydrophobicContact CD2-CD2 3.45Å; L232-Y240 VanDerWaalsContact CD2-CD2 3.45Å; L232-Y240 HydrophobicContact CD2-CE2 3.31Å; L232-Y240 HydrophobicContact CG-CD2 3.93Å; L232-Y240 HydrophobicContact CG-CE2 3.9Å; L232-Q326 VanDerWaalsContact CD1-OE1 3.31Å; L232-W329 HydrophobicContact CD1-CZ2 4.44Å
233T54.3Low56.6Low115 Ų11589.1 Ų89.171%0.70645%0.448SS*.THydrogen-bonded Turntrans-85.4-18.217447.90000113.5K230 Y231K230-T233 PolarHBondContact O-N 2.97Å; K230-T233 PolarHBondContact O-OG1 2.92Å; Y231-T233 PolarHBondContact O-N 3.48Å; Y231-T233 VanDerWaalsContact O-N 3.14Å
234D51.7Low56.7Low115 Ų11590.7 Ų90.762%0.61545%0.445SS*.SBendtrans-103.1131.8-178.4-68.5-34.9000111Y231 C236Y231-D234 PolarHBondContact O-N 3.33Å; D234-C236 PolarHBondContact O-N 3.04Å
235Q50.9Low56.8Low198 Ų19890.2 Ų90.293%0.92545%0.448SS*.  trans-65.926-168.8-69.9-156.9-2100116.8N237Q235-N237 PolarHBondContact O-N 3.24Å
236C50.4Low56.6Low78 Ų7893.2 Ų93.253%0.52746%0.464SS..  trans-88.990.7178.5-95.80000112.2D234 L238 V239 Y240D234-C236 PolarHBondContact O-N 3.04Å; C236-L238 PolarHBondContact O-N 3.45Å; C236-L238 VanDerWaalsContact O-N 3.14Å; C236-V239 HydrophobicContact CB-CB 4.03Å; C236-V239 HydrophobicContact CB-CG2 3.89Å; C236-V239 PolarHBondContact O-N 3.33Å; C236-Y240 PolarHBondContact O-N 2.93Å
237N58.6Low56.5Low139 Ų13989 Ų8974%0.74344%0.442SS*.Hα-helixtrans-53.1-30.8174.7-84.7-34.2000114.1Q235 K241Q235-N237 PolarHBondContact O-N 3.24Å; N237-K241 PolarHBondContact O-N 2.98Å
238L57.8Low56.5Low148 Ų14886.4 Ų86.478%0.77543%0.43SS*.Hα-helixtrans-70.2-51.6177.7-89.9152.1000112C236 Y240 K241 E242C236-L238 PolarHBondContact O-N 3.45Å; C236-L238 VanDerWaalsContact O-N 3.14Å; L238-Y240 VanDerWaalsContact C-N 3.26Å; L238-Y240 PolarHBondContact O-N 3.06Å; L238-K241 PolarHBondContact O-N 3.1Å; L238-K241 VanDerWaalsContact O-N 3.09Å; L238-E242 PolarHBondContact O-N 2.97Å
239V55.7Low56.4Low61 Ų6188.7 Ų88.737%0.3744%0.442SS..Hα-helixtrans-60.1-40.1177.4177.80000110.4C236 K241 E242 I243C236-V239 HydrophobicContact CB-CB 4.03Å; C236-V239 HydrophobicContact CB-CG2 3.89Å; C236-V239 PolarHBondContact O-N 3.33Å; V239-K241 PolarHBondContact O-N 2.94Å; V239-E242 PolarHBondContact O-N 3.43Å; V239-I243 HydrophobicContact CG1-CD1 3.6Å; V239-I243 HydrophobicContact CG1-CG1 4.15Å; V239-I243 WeakPolarHBondContact O-CB 3.39Å; V239-I243 VanDerWaalsContact O-CG1 3.26Å; V239-I243 WeakPolarHBondContact O-CG1 3.38Å; V239-I243 PolarHBondContact O-N 3.12Å
240Y54.2Low56.3Low56 Ų5688.6 Ų88.622%0.2244%0.44CS..Hα-helixtrans-59.1-44.6174.4177.5-107.4000112.9L232 C236 L238 R244 W329L232-Y240 HydrophobicContact CD1-CE2 4.19Å; L232-Y240 HydrophobicContact CD2-CD2 3.45Å; L232-Y240 VanDerWaalsContact CD2-CD2 3.45Å; L232-Y240 HydrophobicContact CD2-CE2 3.31Å; L232-Y240 HydrophobicContact CG-CD2 3.93Å; L232-Y240 HydrophobicContact CG-CE2 3.9Å; C236-Y240 PolarHBondContact O-N 2.93Å; L238-Y240 VanDerWaalsContact C-N 3.26Å; L238-Y240 PolarHBondContact O-N 3.06Å; Y240-R244 WeakPolarHBondContact O-CB 3.31Å; Y240-R244 PolarHBondContact O-N 3.17Å; Y240-W329 HydrophobicContact CE2-CZ2 4.37Å; Y240-W329 AromaticContact CE2-NE1 3.84Å; Y240-W329 PolarHBondContact OH-NE1 3.39Å
241K59.4Low56.1Low135 Ų13581.4 Ų81.459%0.58741%0.409SS*.Hα-helixtrans-65.5-41.4-179.9-168177.9-179.7-176.90111.3N237 L238 V239 R244 N245N237-K241 PolarHBondContact O-N 2.98Å; L238-K241 PolarHBondContact O-N 3.1Å; L238-K241 VanDerWaalsContact O-N 3.09Å; V239-K241 PolarHBondContact O-N 2.94Å; K241-R244 PolarHBondContact O-N 3.07Å; K241-N245 WeakPolarHBondContact O-CB 3.39Å; K241-N245 PolarHBondContact O-N 3.22Å; K241-N245 PolarHBondContact O-ND2 2.95Å; K241-N245 PolarHBondContact O-OD1 3.16Å
242E58.2Low55.9Low124 Ų12475 Ų7558%0.57939%0.385SS*.Hα-helixtrans-69.1-47.3179.5-166.8170.6-170.100112.1L238 V239 R244 N245 N246L238-E242 PolarHBondContact O-N 2.97Å; V239-E242 PolarHBondContact O-N 3.43Å; E242-R244 VanDerWaalsContact C-N 3.3Å; E242-R244 PolarHBondContact O-N 3.22Å; E242-N245 PolarHBondContact O-N 3.32Å; E242-N245 VanDerWaalsContact O-N 3.17Å; E242-N246 WeakPolarHBondContact O-CB 3.19Å; E242-N246 PolarHBondContact O-N 3.25Å
243I55Low55.7Low29 Ų2976.2 Ų76.215%0.14939%0.389CS..Hα-helixtrans-58.5-43.8173.1-71.3177.9000110.8S228 Y231 V239 N246 F247S228-I243 VanDerWaalsContact CB-CG2 3.49Å; S228-I243 WeakPolarHBondContact OG-CG2 3.44Å; Y231-I243 HydrophobicContact CD2-CD1 4.29Å; Y231-I243 HydrophobicContact CG-CD1 4.17Å; V239-I243 HydrophobicContact CG1-CD1 3.6Å; V239-I243 HydrophobicContact CG1-CG1 4.15Å; V239-I243 WeakPolarHBondContact O-CB 3.39Å; V239-I243 VanDerWaalsContact O-CG1 3.26Å; V239-I243 WeakPolarHBondContact O-CG1 3.38Å; V239-I243 PolarHBondContact O-N 3.12Å; I243-N246 PolarHBondContact O-N 2.93Å; I243-F247 WeakPolarHBondContact O-CB 3.39Å; I243-F247 PolarHBondContact O-N 3.17Å
244R58.2Low55.5Low79 Ų7972.2 Ų72.230%0.29837%0.365SS..Hα-helixtrans-61.7-44.3176.4-178.7-178178.4-170-0.9111.2Y240 K241 E242 F247 V248Y240-R244 WeakPolarHBondContact O-CB 3.31Å; Y240-R244 PolarHBondContact O-N 3.17Å; K241-R244 PolarHBondContact O-N 3.07Å; E242-R244 VanDerWaalsContact C-N 3.3Å; E242-R244 PolarHBondContact O-N 3.22Å; R244-F247 PolarHBondContact O-N 3.25Å; R244-V248 WeakPolarHBondContact O-CB 2.93Å; R244-V248 WeakPolarHBondContact O-CG2 3.42Å; R244-V248 PolarHBondContact O-N 3.05Å
245N61Low55.4Low83 Ų8367.2 Ų67.244%0.44434%0.338SS..Hα-helixtrans-64.1-45.4177.4-72.3-9.7000111.6K241 E242 F247 V248 L249K241-N245 WeakPolarHBondContact O-CB 3.39Å; K241-N245 PolarHBondContact O-N 3.22Å; K241-N245 PolarHBondContact O-ND2 2.95Å; K241-N245 PolarHBondContact O-OD1 3.16Å; E242-N245 PolarHBondContact O-N 3.32Å; E242-N245 VanDerWaalsContact O-N 3.17Å; N245-F247 VanDerWaalsContact C-N 3.32Å; N245-F247 PolarHBondContact O-N 3.12Å; N245-V248 PolarHBondContact O-N 2.94Å; N245-L249 WeakPolarHBondContact O-CB 3.33Å; N245-L249 WeakPolarHBondContact O-CG 3.34Å; N245-L249 PolarHBondContact O-N 3.45Å
246N58.4Low55.3Low66 Ų6659.1 Ų59.135%0.35330%0.304SS..Hα-helixtrans-63.2-39.3176.4-72.7-19.1000111.8E242 I243 L249 M250E242-N246 WeakPolarHBondContact O-CB 3.19Å; E242-N246 PolarHBondContact O-N 3.25Å; I243-N246 PolarHBondContact O-N 2.93Å; N246-L249 PolarHBondContact O-N 2.78Å; N246-M250 VanDerWaalsContact O-CB 3.28Å; N246-M250 WeakPolarHBondContact O-CB 3.41Å; N246-M250 PolarHBondContact O-N 3.41Å
247F59.8Low55.7Low0 Ų055.7 Ų55.70%028%0.28CS..Hα-helixtrans-69-38.3175.6-168.7-102.2000112I221 A225 I243 R244 N245 M250 I251 I317 W329 F334I221-F247 HydrophobicContact CG2-CE2 4.33Å; I221-F247 HydrophobicContact CG2-CZ 4.5Å; A225-F247 HydrophobicContact CB-CE2 3.94Å; A225-F247 HydrophobicContact CB-CZ 4.27Å; I243-F247 WeakPolarHBondContact O-CB 3.39Å; I243-F247 PolarHBondContact O-N 3.17Å; R244-F247 PolarHBondContact O-N 3.25Å; N245-F247 VanDerWaalsContact C-N 3.32Å; N245-F247 PolarHBondContact O-N 3.12Å; F247-M250 HydrophobicContact CD2-CE 3.3Å; F247-M250 HydrophobicContact CE2-CE 3.44Å; F247-M250 VanDerWaalsContact CE2-CE 3.44Å; F247-M250 HydrophobicContact CG-CE 4.27Å; F247-M250 HydrophobicContact CZ-CE 4.47Å; F247-I251 HydrophobicContact CD1-CD1 3.87Å; F247-I251 HydrophobicContact CD1-CG1 4.31Å; F247-I251 HydrophobicContact CE1-CD1 3.14Å; F247-I251 HydrophobicContact CE1-CG1 3.92Å; F247-I251 HydrophobicContact CE2-CD1 4.42Å; F247-I251 HydrophobicContact CZ-CD1 3.5Å; F247-I251 VanDerWaalsContact CZ-CD1 3.5Å; F247-I251 HydrophobicContact CZ-CG1 4.09Å; F247-I251 WeakPolarHBondContact O-CB 3.13Å; F247-I251 WeakPolarHBondContact O-CG1 3.36Å; F247-I251 PolarHBondContact O-N 2.66Å; F247-I317 HydrophobicContact CE1-CD1 4.42Å; F247-I317 HydrophobicContact CZ-CD1 3.71Å; F247-I317 HydrophobicContact CZ-CG1 4.34Å; F247-W329 AromaticContact CD1-CH2 3.63Å; F247-W329 HydrophobicContact CD1-CH2 3.63Å; F247-W329 AromaticContact CD1-CZ3 3.44Å; F247-W329 HydrophobicContact CD1-CZ3 3.44Å; F247-W329 VanDerWaalsContact CD1-CZ3 3.44Å; F247-W329 HydrophobicContact CE1-CE3 4.44Å; F247-W329 HydrophobicContact CE1-CH2 4.07Å; F247-W329 AromaticContact CE1-CZ3 3.41Å; F247-W329 HydrophobicContact CE1-CZ3 3.41Å; F247-W329 VanDerWaalsContact CE1-CZ3 3.41Å; F247-W329 HydrophobicContact CG-CH2 4.14Å; F247-W329 HydrophobicContact CG-CZ3 4.31Å; F247-W329 HydrophobicContact CZ-CZ3 4.2Å; F247-F334 HydrophobicContact CD1-CE1 4.36Å; F247-F334 AromaticContact CD1-CE2 3.56Å; F247-F334 HydrophobicContact CD1-CE2 3.56Å; F247-F334 AromaticContact CD1-CZ 3.3Å; F247-F334 HydrophobicContact CD1-CZ 3.3Å; F247-F334 HydrophobicContact CE1-CE1 4.39Å; F247-F334 AromaticContact CE1-CE2 3.79Å; F247-F334 HydrophobicContact CE1-CE2 3.79Å; F247-F334 AromaticContact CE1-CZ 3.61Å; F247-F334 HydrophobicContact CE1-CZ 3.61Å; F247-F334 HydrophobicContact CG-CZ 4.48Å
248V58Low56.2Low20 Ų2049.8 Ų49.812%0.12125%0.247CC..Hα-helixtrans-63.6-43.5172168.50000110.8R244 N245 I251 S252 F334 L337 L338R244-V248 WeakPolarHBondContact O-CB 2.93Å; R244-V248 WeakPolarHBondContact O-CG2 3.42Å; R244-V248 PolarHBondContact O-N 3.05Å; N245-V248 PolarHBondContact O-N 2.94Å; V248-I251 PolarHBondContact O-N 2.93Å; V248-S252 WeakPolarHBondContact O-CB 3.42Å; V248-S252 PolarHBondContact O-N 2.93Å; V248-S252 PolarHBondContact O-OG 3.48Å; V248-F334 HydrophobicContact CB-CZ 4.49Å; V248-F334 HydrophobicContact CG2-CE1 4.05Å; V248-F334 HydrophobicContact CG2-CE2 4.25Å; V248-F334 HydrophobicContact CG2-CZ 3.59Å; V248-L337 WeakPolarHBondContact CG1-O 3.39Å; V248-L337 HydrophobicContact CG2-CB 4.04Å; V248-L337 HydrophobicContact CG2-CD1 4.43Å; V248-L338 HydrophobicContact CG1-CD2 4.47Å
249L56.5Low57.4Low52 Ų5243.5 Ų43.527%0.27221%0.214SC..Hα-helixtrans-64.6-43.9176.3-77.7165.7000112.2L192 W196 N245 N246 S252 H253L192-L249 HydrophobicContact CD1-CD2 4.1Å; W196-L249 HydrophobicContact CH2-CD1 4.17Å; W196-L249 HydrophobicContact CZ3-CD1 4.19Å; N245-L249 WeakPolarHBondContact O-CB 3.33Å; N245-L249 WeakPolarHBondContact O-CG 3.34Å; N245-L249 PolarHBondContact O-N 3.45Å; N246-L249 PolarHBondContact O-N 2.78Å; L249-S252 VanDerWaalsContact CA-OG 3.29Å; L249-S252 WeakPolarHBondContact CA-OG 3.42Å; L249-S252 PolarHBondContact O-N 3.18Å; L249-S252 PolarHBondContact O-OG 3.42Å; L249-H253 WeakPolarHBondContact O-CB 3.35Å; L249-H253 PolarHBondContact O-N 3.24Å
250M56.2Low58.9Low29 Ų2940.9 Ų40.914%0.14320%0.197CC..Hα-helixtrans-65-44.3175.9-179-168.958.600110.7L220 I221 Y224 N246 F247 H253 V254L220-M250 HydrophobicContact CD2-SD 4.34Å; I221-M250 HydrophobicContact CB-CE 4.1Å; I221-M250 HydrophobicContact CB-SD 4.46Å; I221-M250 HydrophobicContact CG1-CE 3.97Å; I221-M250 HydrophobicContact CG1-CG 4.44Å; I221-M250 HydrophobicContact CG1-SD 4.01Å; I221-M250 HydrophobicContact CG2-CE 4.15Å; Y224-M250 HydrophobicContact CD2-SD 3.91Å; Y224-M250 HydrophobicContact CG-CE 4.31Å; Y224-M250 HydrophobicContact CG-SD 4.06Å; N246-M250 VanDerWaalsContact O-CB 3.28Å; N246-M250 WeakPolarHBondContact O-CB 3.41Å; N246-M250 PolarHBondContact O-N 3.41Å; F247-M250 HydrophobicContact CD2-CE 3.3Å; F247-M250 HydrophobicContact CE2-CE 3.44Å; F247-M250 VanDerWaalsContact CE2-CE 3.44Å; F247-M250 HydrophobicContact CG-CE 4.27Å; F247-M250 HydrophobicContact CZ-CE 4.47Å; M250-H253 PolarHBondContact O-N 3.03Å; M250-V254 WeakPolarHBondContact O-CG2 3.35Å; M250-V254 PolarHBondContact O-N 3.41Å
251I54.5Low60.8Low4 Ų438.2 Ų38.22%0.02119%0.187CC..Hα-helixtrans-63.6-44173.6-71-168.4000109.7F247 V248 H253 V254 M255 M314 I317 F334 L338F247-I251 HydrophobicContact CD1-CD1 3.87Å; F247-I251 HydrophobicContact CD1-CG1 4.31Å; F247-I251 HydrophobicContact CE1-CD1 3.14Å; F247-I251 HydrophobicContact CE1-CG1 3.92Å; F247-I251 HydrophobicContact CE2-CD1 4.42Å; F247-I251 HydrophobicContact CZ-CD1 3.5Å; F247-I251 VanDerWaalsContact CZ-CD1 3.5Å; F247-I251 HydrophobicContact CZ-CG1 4.09Å; F247-I251 WeakPolarHBondContact O-CB 3.13Å; F247-I251 WeakPolarHBondContact O-CG1 3.36Å; F247-I251 PolarHBondContact O-N 2.66Å; V248-I251 PolarHBondContact O-N 2.93Å; I251-H253 PolarHBondContact O-N 2.99Å; I251-V254 CarbonylContact O-C 3.53Å; I251-V254 PolarHBondContact O-N 3.42Å; I251-M255 HydrophobicContact CG2-CG 3.43Å; I251-M255 VanDerWaalsContact CG2-CG 3.43Å; I251-M255 HydrophobicContact CG2-SD 4.21Å; I251-M255 WeakPolarHBondContact O-CB 3.29Å; I251-M255 WeakPolarHBondContact O-CG 3.18Å; I251-M255 PolarHBondContact O-N 3Å; I251-M314 HydrophobicContact CD1-SD 4.02Å; I251-I317 HydrophobicContact CD1-CD1 4.24Å; I251-F334 HydrophobicContact CB-CE1 4.17Å; I251-F334 HydrophobicContact CD1-CD1 4.3Å; I251-F334 HydrophobicContact CD1-CE1 3.58Å; I251-F334 HydrophobicContact CD1-CZ 3.88Å; I251-F334 HydrophobicContact CG1-CE1 4.33Å; I251-F334 HydrophobicContact CG2-CE1 4.2Å; I251-L338 HydrophobicContact CB-CD2 4.04Å; I251-L338 HydrophobicContact CG2-CD1 4Å; I251-L338 HydrophobicContact CG2-CD2 3.47Å; I251-L338 VanDerWaalsContact CG2-CD2 3.47Å; I251-L338 HydrophobicContact CG2-CG 4.35Å
252S50.8Low62.5Low5 Ų531.8 Ų31.84%0.03516%0.159CC..Hα-helixtrans-60.2-35.5177.764.70000112V248 L249 M255 S256V248-S252 WeakPolarHBondContact O-CB 3.42Å; V248-S252 PolarHBondContact O-N 2.93Å; V248-S252 PolarHBondContact O-OG 3.48Å; L249-S252 VanDerWaalsContact CA-OG 3.29Å; L249-S252 WeakPolarHBondContact CA-OG 3.42Å; L249-S252 PolarHBondContact O-N 3.18Å; L249-S252 PolarHBondContact O-OG 3.42Å; S252-M255 CarbonylContact O-C 3.4Å; S252-M255 PolarHBondContact O-N 3.4Å; S252-S256 WeakPolarHBondContact O-CA 3.11Å; S252-S256 PolarHBondContact O-N 3.14Å
253H49.9Very low64.3Low64 Ų6425.9 Ų25.930%0.29613%0.131SC..Hα-helixtrans-70.2-35.4174.8-163.783.5000112.8F193 L249 M250 I251 M255 S256F193-H253 AromaticContact CE2-ND1 3.86Å; L249-H253 WeakPolarHBondContact O-CB 3.35Å; L249-H253 PolarHBondContact O-N 3.24Å; M250-H253 PolarHBondContact O-N 3.03Å; I251-H253 PolarHBondContact O-N 2.99Å; H253-M255 VanDerWaalsContact C-N 3.34Å; H253-S256 WeakPolarHBondContact O-CB 3.36Å; H253-S256 PolarHBondContact O-N 2.59Å; H253-S256 PolarHBondContact O-OG 3.08Å
254V50.1Low66.2Low32 Ų3224.5 Ų24.519%0.19412%0.124CC..Hα-helixtrans-75.4-30174.5172.50000111.5I221 M250 I251 S256 V310I221-V254 HydrophobicContact CD1-CB 4.03Å; I221-V254 HydrophobicContact CD1-CG1 3.65Å; I221-V254 HydrophobicContact CD1-CG2 3.51Å; I221-V254 HydrophobicContact CG1-CG2 3.97Å; M250-V254 WeakPolarHBondContact O-CG2 3.35Å; M250-V254 PolarHBondContact O-N 3.41Å; I251-V254 CarbonylContact O-C 3.53Å; I251-V254 PolarHBondContact O-N 3.42Å; V254-S256 VanDerWaalsContact C-N 3.3Å; V254-V310 HydrophobicContact CG1-CB 4.29Å; V254-V310 HydrophobicContact CG1-CG1 3.91Å; V254-V310 HydrophobicContact CG1-CG2 3.38Å
255M50.5Low67.9Low9 Ų920.8 Ų20.84%0.04411%0.111CC..THydrogen-bonded Turntrans-84.3-2.2175.9-62.3-79-58.600111.6I251 S252 H253 F257 L306 V310 Y335 L338 A342I251-M255 HydrophobicContact CG2-CG 3.43Å; I251-M255 VanDerWaalsContact CG2-CG 3.43Å; I251-M255 HydrophobicContact CG2-SD 4.21Å; I251-M255 WeakPolarHBondContact O-CB 3.29Å; I251-M255 WeakPolarHBondContact O-CG 3.18Å; I251-M255 PolarHBondContact O-N 3Å; S252-M255 CarbonylContact O-C 3.4Å; S252-M255 PolarHBondContact O-N 3.4Å; H253-M255 VanDerWaalsContact C-N 3.34Å; M255-F257 HydrophobicContact CB-CE2 4.25Å; M255-F257 HydrophobicContact CE-CE2 3.97Å; M255-F257 HydrophobicContact CE-CZ 4Å; M255-F257 WeakPolarHBondContact O-CD2 3.41Å; M255-F257 VanDerWaalsContact O-CE2 3.25Å; M255-F257 WeakPolarHBondContact O-CE2 3.48Å; M255-F257 PolarHBondContact O-N 3.02Å; M255-L306 HydrophobicContact CE-CD2 3.65Å; M255-L306 HydrophobicContact CE-CG 4.44Å; M255-L306 HydrophobicContact SD-CD2 3.14Å; M255-L306 WeakPolarHBondContact SD-CD2 3.21Å; M255-L306 HydrophobicContact SD-CG 4.35Å; M255-V310 HydrophobicContact SD-CG1 4.21Å; M255-Y335 HydrophobicContact CE-CE1 4.45Å; M255-L338 HydrophobicContact CE-CD1 4.31Å; M255-A342 HydrophobicContact CB-CB 4.5Å
256S48.9Very low69.6Low29 Ų2916.9 Ų16.920%0.2039%0.089CC..  trans-48.8107-171.4690000109.6A188 S189 S252 H253 V254A188-S256 WeakPolarHBondContact CB-OG 3.42Å; S189-S256 WeakPolarHBondContact O-CB 3.28Å; S252-S256 WeakPolarHBondContact O-CA 3.11Å; S252-S256 PolarHBondContact O-N 3.14Å; H253-S256 WeakPolarHBondContact O-CB 3.36Å; H253-S256 PolarHBondContact O-N 2.59Å; H253-S256 PolarHBondContact O-OG 3.08Å; V254-S256 VanDerWaalsContact C-N 3.3Å
257F58.6Low71.5Confident6 Ų613.8 Ų13.83%0.0267%0.073CC..  trans-75.4148.6-175.1-72.5-108.4000107.9S189 M255 L301 C305 A342 F343 S345S189-F257 PolarHBondContact N-O 2.75Å; S189-F257 PolarHBondContact OG-N 2.96Å; S189-F257 PolarHBondContact OG-O 3.16Å; M255-F257 HydrophobicContact CB-CE2 4.25Å; M255-F257 HydrophobicContact CE-CE2 3.97Å; M255-F257 HydrophobicContact CE-CZ 4Å; M255-F257 WeakPolarHBondContact O-CD2 3.41Å; M255-F257 VanDerWaalsContact O-CE2 3.25Å; M255-F257 WeakPolarHBondContact O-CE2 3.48Å; M255-F257 PolarHBondContact O-N 3.02Å; F257-L301 HydrophobicContact CE1-CB 4.18Å; F257-L301 HydrophobicContact CE1-CD1 4.18Å; F257-L301 HydrophobicContact CE1-CD2 4.21Å; F257-L301 HydrophobicContact CE1-CG 4.46Å; F257-L301 HydrophobicContact CZ-CB 4.43Å; F257-L301 HydrophobicContact CZ-CD1 4.35Å; F257-C305 HydrophobicContact CD1-CB 3.55Å; F257-C305 HydrophobicContact CE1-CB 3.29Å; F257-C305 HydrophobicContact CZ-CB 4.3Å; F257-A342 WeakPolarHBondContact CD2-O 3.16Å; F257-A342 HydrophobicContact CE2-CB 4.46Å; F257-F343 HydrophobicContact CD2-CD1 4.07Å; F257-F343 HydrophobicContact CE1-CD1 4.03Å; F257-F343 HydrophobicContact CE1-CE1 4.22Å; F257-F343 AromaticContact CE2-CD1 3.36Å; F257-F343 HydrophobicContact CE2-CD1 3.36Å; F257-F343 AromaticContact CE2-CE1 3.55Å; F257-F343 HydrophobicContact CE2-CE1 3.55Å; F257-F343 HydrophobicContact CE2-CG 4.37Å; F257-F343 AromaticContact CZ-CD1 3.38Å; F257-F343 HydrophobicContact CZ-CD1 3.38Å; F257-F343 AromaticContact CZ-CE1 3.31Å; F257-F343 HydrophobicContact CZ-CE1 3.31Å; F257-S345 VanDerWaalsContact C-OG 3.29Å; F257-S345 WeakPolarHBondContact CB-OG 3.43Å; F257-S345 WeakPolarHBondContact O-CB 3.33Å
258Q68.9Low73.2Confident14 Ų1413.8 Ų13.87%0.0657%0.073CC..BIsolated β-bridgetrans-81.3140.7-179.3-77173.7-3.900110.5Y183 T186 E187 I260 S345Y183-Q258 VanDerWaalsContact C-NE2 3.27Å; Y183-Q258 VanDerWaalsContact C-OE1 3.31Å; Y183-Q258 VanDerWaalsContact CD1-NE2 3.33Å; Y183-Q258 VanDerWaalsContact CE1-CD 3.41Å; Y183-Q258 PolarHBondContact O-NE2 3.25Å; Y183-Q258 PolarHBondContact O-OE1 3.25Å; T186-Q258 WeakPolarHBondContact OG1-CB 3.4Å; T186-Q258 WeakPolarHBondContact OG1-CG 3.19Å; T186-Q258 PolarHBondContact OG1-OE1 2.86Å; E187-Q258 CarbonylContact O-C 3.53Å; E187-Q258 VanDerWaalsContact O-CA 3.3Å; E187-Q258 WeakPolarHBondContact O-CA 3.48Å; Q258-I260 HydrophobicContact CB-CD1 4.2Å; Q258-I260 PolarHBondContact O-N 3.41Å; Q258-S345 VanDerWaalsContact O-CB 3.25Å; Q258-S345 WeakPolarHBondContact O-CB 3.35Å; Q258-S345 PolarHBondContact O-OG 2.93Å
259R81.7Confident75Confident17 Ų1712.8 Ų12.86%0.0647%0.067CC..  trans-72.3104.1-177.8-16585-168.8176.95.9109.4W100 E187 Y275 A276 S344 S345W100-R259 HydrophobicContact CB-CB 4.27Å; W100-R259 HydrophobicContact CB-CG 4.45Å; W100-R259 HydrophobicContact CG-CG 4.39Å; W100-R259 PolarHBondContact N-O 3.04Å; E187-R259 HydrophobicContact CB-CB 4.14Å; E187-R259 PolarHBondContact O-N 3.41Å; R259-Y275 HydrophobicContact CB-CE2 4.28Å; R259-Y275 VanDerWaalsContact CD-CD2 3.47Å; R259-Y275 HydrophobicContact CG-CD1 3.95Å; R259-Y275 HydrophobicContact CG-CD2 3.84Å; R259-Y275 HydrophobicContact CG-CE1 3.81Å; R259-Y275 HydrophobicContact CG-CE2 3.58Å; R259-Y275 HydrophobicContact CG-CG 3.99Å; R259-Y275 VanDerWaalsContact NE-CD2 3.33Å; R259-A276 PolarHBondContact NH2-O 3.2Å; R259-S344 PolarHBondContact NH1-O 3.3Å; R259-S345 WeakPolarHBondContact CD-O 3.43Å; R259-S345 PolarHBondContact NE-O 3.27Å
260I88.5Confident77Confident5 Ų510.4 Ų10.43%0.0265%0.054CC..EExtended strand (participates in β ladder)trans-120.8132178.4-65.8142.1000107.2V98 Y99 L172 Q258 L346V98-I260 WeakPolarHBondContact O-CA 3.48Å; Y99-I260 HydrophobicContact CD1-CG1 4.12Å; Y99-I260 HydrophobicContact CE1-CG1 4.28Å; L172-I260 HydrophobicContact CD1-CD1 4.09Å; L172-I260 HydrophobicContact CD1-CG2 4.41Å; L172-I260 HydrophobicContact CD2-CB 4.48Å; L172-I260 HydrophobicContact CD2-CD1 3.36Å; L172-I260 HydrophobicContact CD2-CG1 3.9Å; L172-I260 HydrophobicContact CD2-CG2 3.96Å; L172-I260 HydrophobicContact CG-CD1 4.35Å; Q258-I260 HydrophobicContact CB-CD1 4.2Å; Q258-I260 PolarHBondContact O-N 3.41Å; I260-L346 HydrophobicContact CB-CD2 4.06Å; I260-L346 HydrophobicContact CG2-CD2 4.5Å; I260-L346 WeakPolarHBondContact O-CD2 3.31Å
261S92.9Very high79Confident1 Ų19 Ų91%0.0075%0.048CC..EExtended strand (participates in β ladder)trans-109.4150.3173.3-65.50000110S97 V98 W100 S265S97-S261 CarbonylContact C-O 3.07Å; S97-S261 VanDerWaalsContact CA-O 3.22Å; S97-S261 WeakPolarHBondContact CA-O 3.35Å; V98-S261 PolarHBondContact N-O 2.86Å; V98-S261 PolarHBondContact O-N 3.14Å; W100-S261 PolarHBondContact NE1-OG 3.36Å; S261-S265 WeakPolarHBondContact CA-OG 2.78Å; S261-S265 WeakPolarHBondContact CB-OG 3.3Å
262L95Very high80.9Confident0 Ų09.3 Ų9.30%05%0.049CC..EExtended strand (participates in β ladder)trans-72.8161.7154.9-68.8-178.7000108.7G96 T168 S264 S265 F266 I278 D282 M286G96-L262 WeakPolarHBondContact O-CA 3.28Å; G96-L262 WeakPolarHBondContact O-CD2 3.47Å; T168-L262 HydrophobicContact CG2-CD2 3.97Å; T168-L262 WeakPolarHBondContact OG1-CD2 2.98Å; L262-S264 PolarHBondContact O-N 2.81Å; L262-S264 VanDerWaalsContact O-N 3.14Å; L262-S265 PolarHBondContact N-OG 3.32Å; L262-S265 VanDerWaalsContact N-OG 3.08Å; L262-S265 PolarHBondContact O-N 2.6Å; L262-S265 PolarHBondContact O-OG 3.39Å; L262-F266 VanDerWaalsContact O-CB 3.28Å; L262-F266 WeakPolarHBondContact O-CB 3.38Å; L262-F266 PolarHBondContact O-N 2.75Å; L262-I278 HydrophobicContact CD1-CG2 3.79Å; L262-I278 HydrophobicContact CG-CD1 4.24Å; L262-I278 HydrophobicContact CG-CG1 4.33Å; L262-I278 HydrophobicContact CG-CG2 4.39Å; L262-D282 HydrophobicContact CD1-CB 3.82Å; L262-D282 WeakPolarHBondContact CD1-O 3.36Å; L262-D282 WeakPolarHBondContact CD1-OD2 3.33Å; L262-M286 HydrophobicContact CD1-CG 4.09Å; L262-M286 HydrophobicContact CD1-SD 3.95Å; L262-M286 HydrophobicContact CD2-CE 4.08Å; L262-M286 HydrophobicContact CD2-CG 4.15Å; L262-M286 HydrophobicContact CD2-SD 4.26Å; L262-M286 HydrophobicContact CG-CE 4.31Å; L262-M286 HydrophobicContact CG-SD 4.17Å
263V97.3Very high83.1Confident0 Ų09.4 Ų9.40%05%0.051CC..Hα-helixtrans-56.2-33.5178.2-170.40000111.3L13 W64 A92 Q93 G96 L267L13-V263 HydrophobicContact CD2-CG1 3.43Å; L13-V263 VanDerWaalsContact CD2-CG1 3.43Å; L13-V263 HydrophobicContact CG-CG1 3.98Å; W64-V263 HydrophobicContact CE3-CG1 4.37Å; W64-V263 HydrophobicContact CH2-CG1 4.38Å; W64-V263 HydrophobicContact CH2-CG2 3.89Å; W64-V263 HydrophobicContact CZ2-CG2 4.47Å; W64-V263 HydrophobicContact CZ3-CG1 4.29Å; W64-V263 HydrophobicContact CZ3-CG2 4.21Å; A92-V263 HydrophobicContact CB-CB 3.86Å; A92-V263 HydrophobicContact CB-CG1 3.74Å; Q93-V263 HydrophobicContact CG-CB 4.4Å; Q93-V263 HydrophobicContact CG-CG1 4.35Å; Q93-V263 HydrophobicContact CG-CG2 4.16Å; G96-V263 WeakPolarHBondContact O-CG2 3.19Å; G96-V263 PolarHBondContact O-N 3.13Å; G96-V263 VanDerWaalsContact O-N 3.14Å; V263-L267 PolarHBondContact O-N 3.26Å
264S94.8Very high85.1Confident0 Ų011.4 Ų11.40%06%0.056CC..Hα-helixtrans-63.1-57174.655.10000112.1L262 F266 L267 C268 D282 F377 T378L262-S264 PolarHBondContact O-N 2.81Å; L262-S264 VanDerWaalsContact O-N 3.14Å; S264-F266 VanDerWaalsContact C-N 3.28Å; S264-F266 PolarHBondContact O-N 3.13Å; S264-L267 PolarHBondContact O-N 3.04Å; S264-C268 PolarHBondContact O-N 2.71Å; S264-D282 WeakPolarHBondContact CB-OD2 3.28Å; S264-D282 PolarHBondContact OG-OD2 3Å; S264-F377 VanDerWaalsContact O-CB 3.27Å; S264-F377 WeakPolarHBondContact O-CB 3.4Å; S264-T378 WeakPolarHBondContact CB-O 3.13Å
265S94.3Very high87Confident1 Ų110.2 Ų10.21%0.0075%0.048CC..Hα-helixtrans-69.7-24.7179.465.30000113.1S261 L262 T269 A276 P277 I278S261-S265 WeakPolarHBondContact CA-OG 2.78Å; S261-S265 WeakPolarHBondContact CB-OG 3.3Å; L262-S265 PolarHBondContact N-OG 3.32Å; L262-S265 VanDerWaalsContact N-OG 3.08Å; L262-S265 PolarHBondContact O-N 2.6Å; L262-S265 PolarHBondContact O-OG 3.39Å; S265-T269 WeakPolarHBondContact O-CB 3.08Å; S265-T269 PolarHBondContact O-N 2.98Å; S265-T269 PolarHBondContact O-OG1 3.42Å; S265-A276 WeakPolarHBondContact O-CB 3.04Å; S265-P277 WeakPolarHBondContact CB-O 3.23Å; S265-I278 WeakPolarHBondContact OG-CG1 3.32Å
266F96.7Very high88.9Confident0 Ų09.9 Ų9.90%05%0.046CC..Hα-helixtrans-61.8-51.1168.1161.6-101.9000110.7L13 V61 W64 I65 V98 W100 F125 L262 S264 C268 T269 L270L13-F266 HydrophobicContact CD2-CD1 4.46Å; V61-F266 HydrophobicContact CG1-CE1 4.36Å; V61-F266 HydrophobicContact CG1-CE2 3.77Å; V61-F266 HydrophobicContact CG1-CZ 3.59Å; W64-F266 HydrophobicContact CB-CE1 4.3Å; W64-F266 HydrophobicContact CE3-CD1 4.43Å; W64-F266 HydrophobicContact CE3-CE1 4.13Å; I65-F266 HydrophobicContact CD1-CZ 4.04Å; I65-F266 HydrophobicContact CG1-CZ 3.72Å; V98-F266 HydrophobicContact CB-CB 4.21Å; V98-F266 HydrophobicContact CB-CD2 4.05Å; V98-F266 HydrophobicContact CB-CG 4.23Å; V98-F266 HydrophobicContact CG1-CD2 3.72Å; V98-F266 HydrophobicContact CG1-CE2 4.12Å; V98-F266 HydrophobicContact CG1-CG 4.39Å; V98-F266 HydrophobicContact CG2-CB 3.9Å; V98-F266 HydrophobicContact CG2-CD1 4.21Å; V98-F266 HydrophobicContact CG2-CD2 3.88Å; V98-F266 HydrophobicContact CG2-CE2 4.5Å; V98-F266 HydrophobicContact CG2-CG 3.72Å; W100-F266 AromaticContact CH2-CD2 3.78Å; W100-F266 HydrophobicContact CH2-CD2 3.78Å; W100-F266 AromaticContact CH2-CE2 3.8Å; W100-F266 HydrophobicContact CH2-CE2 3.8Å; W100-F266 AromaticContact CZ2-CD2 3.41Å; W100-F266 HydrophobicContact CZ2-CD2 3.41Å; W100-F266 VanDerWaalsContact CZ2-CD2 3.41Å; W100-F266 AromaticContact CZ2-CE2 3.94Å; W100-F266 HydrophobicContact CZ2-CE2 3.94Å; W100-F266 HydrophobicContact CZ2-CG 4.49Å; F125-F266 HydrophobicContact CE1-CD2 4.46Å; F125-F266 AromaticContact CE1-CE2 3.79Å; F125-F266 HydrophobicContact CE1-CE2 3.79Å; F125-F266 AromaticContact CZ-CE2 3.9Å; F125-F266 HydrophobicContact CZ-CE2 3.9Å; L262-F266 VanDerWaalsContact O-CB 3.28Å; L262-F266 WeakPolarHBondContact O-CB 3.38Å; L262-F266 PolarHBondContact O-N 2.75Å; S264-F266 VanDerWaalsContact C-N 3.28Å; S264-F266 PolarHBondContact O-N 3.13Å; F266-C268 VanDerWaalsContact C-N 3.32Å; F266-C268 PolarHBondContact O-N 3.1Å; F266-T269 VanDerWaalsContact O-CB 3.26Å; F266-T269 WeakPolarHBondContact O-CB 3.44Å; F266-T269 PolarHBondContact O-N 3.34Å; F266-T269 VanDerWaalsContact O-N 3.12Å; F266-L270 HydrophobicContact CE1-CD1 3.9Å; F266-L270 HydrophobicContact CE2-CD1 4.35Å; F266-L270 HydrophobicContact CE2-CD2 4.14Å; F266-L270 HydrophobicContact CE2-CG 4.32Å; F266-L270 HydrophobicContact CZ-CD1 3.77Å; F266-L270 HydrophobicContact CZ-CD2 4.28Å; F266-L270 HydrophobicContact CZ-CG 4.22Å; F266-L270 PolarHBondContact O-N 2.75Å; F266-L270 VanDerWaalsContact O-N 3.11Å
267L97.4Very high90.7Very high1 Ų18.8 Ų8.81%0.0054%0.038CC..Hα-helixtrans-62.9-40.5178.8-177.355.8000111.7F11 L13 L68 V263 S264 T269 L270 F271 F377F11-L267 HydrophobicContact CB-CD2 4.11Å; L13-L267 HydrophobicContact CB-CD2 3.77Å; L13-L267 HydrophobicContact CD2-CB 4.25Å; L13-L267 HydrophobicContact CD2-CD2 4.17Å; L68-L267 HydrophobicContact CD1-CD1 4.27Å; L68-L267 HydrophobicContact CD2-CD1 3.77Å; L68-L267 HydrophobicContact CG-CD1 4.48Å; V263-L267 PolarHBondContact O-N 3.26Å; S264-L267 PolarHBondContact O-N 3.04Å; L267-T269 VanDerWaalsContact C-N 3.33Å; L267-T269 PolarHBondContact O-N 3.23Å; L267-L270 HydrophobicContact CD1-CD1 4.26Å; L267-L270 WeakPolarHBondContact O-CB 3.45Å; L267-L270 PolarHBondContact O-N 3.26Å; L267-F271 HydrophobicContact CD1-CD2 4.42Å; L267-F271 HydrophobicContact CD1-CE2 3.91Å; L267-F271 HydrophobicContact CG-CD2 4.5Å; L267-F271 HydrophobicContact CG-CE2 4.15Å; L267-F271 WeakPolarHBondContact O-CD2 3.34Å; L267-F271 PolarHBondContact O-N 3.31Å; L267-F377 HydrophobicContact CB-CD1 4.08Å; L267-F377 HydrophobicContact CB-CE1 4.17Å; L267-F377 HydrophobicContact CD2-CD1 3.78Å; L267-F377 HydrophobicContact CD2-CE1 3.4Å; L267-F377 VanDerWaalsContact CD2-CE1 3.4Å; L267-F377 HydrophobicContact CD2-CZ 4.48Å; L267-F377 HydrophobicContact CG-CD1 3.88Å; L267-F377 HydrophobicContact CG-CE1 3.47Å; L267-F377 VanDerWaalsContact CG-CE1 3.47Å; L267-F377 HydrophobicContact CG-CZ 4.22Å
268C96.3Very high92.1Very high0 Ų08.6 Ų8.60%04%0.038CC..Hα-helixtrans-60.4-41.8173.2-170.80000112.2S264 F266 L270 F271 L272 A276 F377S264-C268 PolarHBondContact O-N 2.71Å; F266-C268 VanDerWaalsContact C-N 3.32Å; F266-C268 PolarHBondContact O-N 3.1Å; C268-L270 VanDerWaalsContact C-N 3.29Å; C268-L270 PolarHBondContact O-N 3.4Å; C268-F271 PolarHBondContact O-N 2.78Å; C268-L272 WeakPolarHBondContact O-CG 3.32Å; C268-L272 PolarHBondContact O-N 3.37Å; C268-L272 VanDerWaalsContact O-N 3.08Å; C268-A276 HydrophobicContact CB-CB 3.6Å; C268-A276 VanDerWaalsContact SG-CB 3.53Å; C268-F377 HydrophobicContact CB-CB 4.06Å; C268-F377 HydrophobicContact CB-CD2 3.51Å; C268-F377 HydrophobicContact CB-CE2 4.17Å; C268-F377 HydrophobicContact CB-CG 3.9Å
269T95.8Very high93.1Very high0 Ų08 Ų80%04%0.035CC..Hα-helixtrans-57.6-41.6176.2-65.50000111.8W100 L108 S265 F266 L267 F271 L272 G273 R274 Y275 A276W100-T269 HydrophobicContact CH2-CG2 3.82Å; W100-T269 HydrophobicContact CZ2-CG2 3.52Å; L108-T269 HydrophobicContact CD1-CG2 3.51Å; L108-T269 HydrophobicContact CD2-CG2 4.17Å; L108-T269 HydrophobicContact CG-CG2 4.49Å; S265-T269 WeakPolarHBondContact O-CB 3.08Å; S265-T269 PolarHBondContact O-N 2.98Å; S265-T269 PolarHBondContact O-OG1 3.42Å; F266-T269 VanDerWaalsContact O-CB 3.26Å; F266-T269 WeakPolarHBondContact O-CB 3.44Å; F266-T269 PolarHBondContact O-N 3.34Å; F266-T269 VanDerWaalsContact O-N 3.12Å; L267-T269 VanDerWaalsContact C-N 3.33Å; L267-T269 PolarHBondContact O-N 3.23Å; T269-F271 PolarHBondContact O-N 2.83Å; T269-L272 PolarHBondContact O-N 3.32Å; T269-G273 PolarHBondContact O-N 3.25Å; T269-R274 WeakPolarHBondContact CA-O 3.31Å; T269-R274 WeakPolarHBondContact CG2-O 3.38Å; T269-Y275 HydrophobicContact CG2-CD1 3.82Å; T269-Y275 HydrophobicContact CG2-CE1 4.49Å; T269-A276 PolarHBondContact OG1-N 2.94Å
270L97.7Very high93.3Very high1 Ų18.4 Ų8.41%0.0054%0.037CC..Hα-helixtrans-58.9-47.6177.9-62.5178.9000111I65 L68 W100 L121 F266 L267 C268 L272 G273 F362I65-L270 HydrophobicContact CD1-CD2 4.49Å; I65-L270 HydrophobicContact CG1-CD1 4.13Å; L68-L270 HydrophobicContact CD2-CB 4.31Å; L68-L270 HydrophobicContact CD2-CD1 3.75Å; W100-L270 HydrophobicContact CH2-CD2 4.32Å; L121-L270 HydrophobicContact CD1-CD2 3.61Å; F266-L270 HydrophobicContact CE1-CD1 3.9Å; F266-L270 HydrophobicContact CE2-CD1 4.35Å; F266-L270 HydrophobicContact CE2-CD2 4.14Å; F266-L270 HydrophobicContact CE2-CG 4.32Å; F266-L270 HydrophobicContact CZ-CD1 3.77Å; F266-L270 HydrophobicContact CZ-CD2 4.28Å; F266-L270 HydrophobicContact CZ-CG 4.22Å; F266-L270 PolarHBondContact O-N 2.75Å; F266-L270 VanDerWaalsContact O-N 3.11Å; L267-L270 HydrophobicContact CD1-CD1 4.26Å; L267-L270 WeakPolarHBondContact O-CB 3.45Å; L267-L270 PolarHBondContact O-N 3.26Å; C268-L270 VanDerWaalsContact C-N 3.29Å; C268-L270 PolarHBondContact O-N 3.4Å; L270-L272 VanDerWaalsContact C-N 3.35Å; L270-L272 PolarHBondContact O-N 2.84Å; L270-G273 PolarHBondContact O-N 2.83Å; L270-F362 WeakPolarHBondContact O-CE2 3.38Å; L270-F362 WeakPolarHBondContact O-CZ 3.14Å
271F98Very high93.1Very high0 Ų08.2 Ų8.20%04%0.036CC..Hα-helixtrans-65.8-33.6179.1-76-69000113.8F11 L68 L72 L88 L267 C268 T269 I358 S359 F362 V374 F377F11-F271 HydrophobicContact CD1-CZ 4.44Å; F11-F271 AromaticContact CD2-CE2 3.99Å; F11-F271 HydrophobicContact CD2-CE2 3.99Å; F11-F271 AromaticContact CD2-CZ 3.92Å; F11-F271 HydrophobicContact CD2-CZ 3.92Å; F11-F271 AromaticContact CE1-CZ 3.96Å; F11-F271 HydrophobicContact CE1-CZ 3.96Å; F11-F271 HydrophobicContact CE2-CE1 4.13Å; F11-F271 AromaticContact CE2-CE2 3.9Å; F11-F271 HydrophobicContact CE2-CE2 3.9Å; F11-F271 AromaticContact CE2-CZ 3.36Å; F11-F271 HydrophobicContact CE2-CZ 3.36Å; F11-F271 HydrophobicContact CG-CE2 4.41Å; F11-F271 HydrophobicContact CG-CZ 4.43Å; F11-F271 HydrophobicContact CZ-CE1 4.13Å; F11-F271 HydrophobicContact CZ-CE2 4.26Å; F11-F271 AromaticContact CZ-CZ 3.4Å; F11-F271 HydrophobicContact CZ-CZ 3.4Å; L68-F271 HydrophobicContact CD1-CE2 4.21Å; L68-F271 HydrophobicContact CD1-CZ 3.68Å; L68-F271 HydrophobicContact CD2-CZ 4.45Å; L72-F271 HydrophobicContact CD2-CE1 4.29Å; L88-F271 HydrophobicContact CD1-CB 4.24Å; L88-F271 HydrophobicContact CD1-CD1 4.16Å; L88-F271 HydrophobicContact CD1-CD2 3.88Å; L88-F271 HydrophobicContact CD1-CE2 4.26Å; L88-F271 HydrophobicContact CD1-CG 3.83Å; L88-F271 HydrophobicContact CD2-CD1 3.82Å; L88-F271 HydrophobicContact CD2-CE1 3.97Å; L88-F271 HydrophobicContact CD2-CG 4.32Å; L267-F271 HydrophobicContact CD1-CD2 4.42Å; L267-F271 HydrophobicContact CD1-CE2 3.91Å; L267-F271 HydrophobicContact CG-CD2 4.5Å; L267-F271 HydrophobicContact CG-CE2 4.15Å; L267-F271 WeakPolarHBondContact O-CD2 3.34Å; L267-F271 PolarHBondContact O-N 3.31Å; C268-F271 PolarHBondContact O-N 2.78Å; T269-F271 PolarHBondContact O-N 2.83Å; F271-I358 HydrophobicContact CD1-CD1 4.21Å; F271-S359 WeakPolarHBondContact O-CB 3.11Å; F271-S359 PolarHBondContact O-N 3Å; F271-F362 HydrophobicContact CD1-CD1 4.28Å; F271-F362 HydrophobicContact CD1-CD2 4.46Å; F271-F362 HydrophobicContact CD1-CE1 4.04Å; F271-F362 HydrophobicContact CD1-CE2 4.26Å; F271-F362 HydrophobicContact CD1-CG 4.49Å; F271-F362 HydrophobicContact CD1-CZ 4.03Å; F271-F362 HydrophobicContact CE1-CD1 4.35Å; F271-F362 HydrophobicContact CE1-CE1 4.11Å; F271-F362 HydrophobicContact CE1-CZ 4.49Å; F271-V374 HydrophobicContact CB-CG1 4Å; F271-V374 HydrophobicContact CB-CG2 3.93Å; F271-F377 HydrophobicContact CD2-CE2 4.23Å; F271-F377 AromaticContact CD2-CZ 3.72Å; F271-F377 HydrophobicContact CD2-CZ 3.72Å; F271-F377 HydrophobicContact CE2-CE1 4.36Å; F271-F377 AromaticContact CE2-CZ 3.78Å; F271-F377 HydrophobicContact CE2-CZ 3.78Å
272L95.7Very high93Very high11 Ų118.1 Ų8.16%0.0584%0.036CC..Hα-helixtrans-79.1-27179.7-71.5174.3000113.6C268 T269 L270 R274 A276 L354 D356 V374C268-L272 WeakPolarHBondContact O-CG 3.32Å; C268-L272 PolarHBondContact O-N 3.37Å; C268-L272 VanDerWaalsContact O-N 3.08Å; T269-L272 PolarHBondContact O-N 3.32Å; L270-L272 VanDerWaalsContact C-N 3.35Å; L270-L272 PolarHBondContact O-N 2.84Å; L272-R274 HydrophobicContact CB-CG 4.06Å; L272-R274 PolarHBondContact O-N 2.81Å; L272-A276 HydrophobicContact CD1-CB 3.81Å; L272-L354 HydrophobicContact CD1-CD2 3.62Å; L272-D356 HydrophobicContact CD2-CB 3.87Å; L272-V374 HydrophobicContact CD2-CB 3.67Å; L272-V374 HydrophobicContact CD2-CG1 4.01Å; L272-V374 HydrophobicContact CD2-CG2 4.09Å; L272-V374 HydrophobicContact CG-CB 4.23Å; L272-V374 HydrophobicContact CG-CG1 4Å
273G95.2Very high92.7Very high6 Ų68.1 Ų8.16%0.0624%0.036CC..THydrogen-bonded Turntrans66.519.8-169.800000113.2L108 A109 T269 L270L108-G273 CarbonylContact C-O 3.58Å; L108-G273 WeakPolarHBondContact CB-O 3.49Å; L108-G273 VanDerWaalsContact O-O 3.08Å; A109-G273 WeakPolarHBondContact CA-O 3.45Å; A109-G273 PolarHBondContact N-O 2.85Å; T269-G273 PolarHBondContact O-N 3.25Å; L270-G273 PolarHBondContact O-N 2.83Å
274R92.1Very high92.3Very high106 Ų1068.1 Ų8.140%0.44%0.036SC..SBendtrans-158.6162173.865.9-174.1-167.491.3-2.3108.1T269 L272 A276 D356T269-R274 WeakPolarHBondContact CA-O 3.31Å; T269-R274 WeakPolarHBondContact CG2-O 3.38Å; L272-R274 HydrophobicContact CB-CG 4.06Å; L272-R274 PolarHBondContact O-N 2.81Å; R274-A276 PolarHBondContact O-N 3.17Å; R274-D356 IonicContact CZ-OD2 3.32Å; R274-D356 VanDerWaalsContact CZ-OD2 3.32Å; R274-D356 IonicContact NE-OD2 3.24Å; R274-D356 PolarHBondContact NE-OD2 3.41Å; R274-D356 IonicContact NH2-OD2 3.69Å; R274-D356 PolarHBondContact NH2-OD2 3.14Å
275Y90.4Very high92Very high7 Ų78.1 Ų8.13%0.0274%0.036CC..PPolyproline II helixtrans-64.3125-173.9-62-53.2000114W100 A104 E105 L108 E187 R259 T269W100-Y275 HydrophobicContact CB-CE1 4.16Å; W100-Y275 WeakPolarHBondContact CB-OH 3.37Å; W100-Y275 AromaticContact CD1-CE1 3.83Å; W100-Y275 HydrophobicContact CD2-CD1 4.46Å; W100-Y275 AromaticContact CD2-CE1 3.62Å; W100-Y275 HydrophobicContact CD2-CE1 3.62Å; W100-Y275 AromaticContact CE2-CE1 3.78Å; W100-Y275 HydrophobicContact CE3-CE1 4.15Å; W100-Y275 AromaticContact CG-CE1 3.62Å; W100-Y275 HydrophobicContact CG-CE1 3.62Å; W100-Y275 HydrophobicContact CZ2-CE1 4.4Å; W100-Y275 AromaticContact NE1-CE1 3.92Å; A104-Y275 WeakPolarHBondContact CB-OH 3.22Å; E105-Y275 HydrophobicContact CB-CD2 4.16Å; E105-Y275 HydrophobicContact CB-CE2 3.51Å; E105-Y275 HydrophobicContact CG-CD2 3.94Å; E105-Y275 HydrophobicContact CG-CE2 3.83Å; E105-Y275 PolarHBondContact N-OH 3.36Å; E105-Y275 WeakPolarHBondContact OE1-CD2 3.41Å; L108-Y275 HydrophobicContact CD1-CD1 3.93Å; L108-Y275 HydrophobicContact CD1-CE1 3.66Å; E187-Y275 PolarHBondContact OE2-OH 2.71Å; R259-Y275 HydrophobicContact CB-CE2 4.28Å; R259-Y275 VanDerWaalsContact CD-CD2 3.47Å; R259-Y275 HydrophobicContact CG-CD1 3.95Å; R259-Y275 HydrophobicContact CG-CD2 3.84Å; R259-Y275 HydrophobicContact CG-CE1 3.81Å; R259-Y275 HydrophobicContact CG-CE2 3.58Å; R259-Y275 HydrophobicContact CG-CG 3.99Å; R259-Y275 VanDerWaalsContact NE-CD2 3.33Å; T269-Y275 HydrophobicContact CG2-CD1 3.82Å; T269-Y275 HydrophobicContact CG2-CE1 4.49Å
276A90.4Very high91.9Very high2 Ų28.1 Ų8.12%0.0174%0.036CC..PPolyproline II helixtrans-79.7151.417100000111.4R259 S265 C268 T269 L272 R274 L354R259-A276 PolarHBondContact NH2-O 3.2Å; S265-A276 WeakPolarHBondContact O-CB 3.04Å; C268-A276 HydrophobicContact CB-CB 3.6Å; C268-A276 VanDerWaalsContact SG-CB 3.53Å; T269-A276 PolarHBondContact OG1-N 2.94Å; L272-A276 HydrophobicContact CD1-CB 3.81Å; R274-A276 PolarHBondContact O-N 3.17Å; A276-L354 HydrophobicContact CB-CD2 4.46Å
277P87.8Confident91.8Very high6 Ų68.1 Ų8.14%0.0394%0.036CC..PPolyproline II helixtrans-69156.7162.632.3-35.7000112.5S265 L347 Q349 L354 V376S265-P277 WeakPolarHBondContact CB-O 3.23Å; P277-L347 CarbonylContact C-O 3.58Å; P277-L347 VanDerWaalsContact CA-O 3.22Å; P277-L347 WeakPolarHBondContact CA-O 3.37Å; P277-L347 HydrophobicContact CB-CB 3.73Å; P277-L347 WeakPolarHBondContact CB-O 3.36Å; P277-Q349 HydrophobicContact CB-CB 3.93Å; P277-Q349 HydrophobicContact CB-CG 3.59Å; P277-Q349 HydrophobicContact CG-CB 3.9Å; P277-Q349 HydrophobicContact CG-CG 3.64Å; P277-L354 VanDerWaalsContact CD-CD2 3.45Å; P277-L354 HydrophobicContact CG-CB 4.25Å; P277-L354 HydrophobicContact CG-CD2 3.86Å; P277-L354 HydrophobicContact CG-CG 4.47Å; P277-V376 HydrophobicContact CG-CG2 4.13Å; P277-V376 WeakPolarHBondContact O-CG2 3.11Å
278I88.4Confident91.4Very high2 Ų28 Ų81%0.014%0.035CC..EExtended strand (participates in β ladder)trans-76.9138.4161.4-65.4165.5000107.6L262 S265 M286 W296 L346 L347 L348 Q349L262-I278 HydrophobicContact CD1-CG2 3.79Å; L262-I278 HydrophobicContact CG-CD1 4.24Å; L262-I278 HydrophobicContact CG-CG1 4.33Å; L262-I278 HydrophobicContact CG-CG2 4.39Å; S265-I278 WeakPolarHBondContact OG-CG1 3.32Å; I278-M286 HydrophobicContact CD1-CE 3.99Å; I278-M286 HydrophobicContact CD1-SD 4.05Å; I278-M286 HydrophobicContact CG2-SD 4.33Å; I278-W296 HydrophobicContact CD1-CH2 4.25Å; I278-W296 HydrophobicContact CD1-CZ2 4.26Å; I278-W296 HydrophobicContact CG2-CH2 4.25Å; I278-L346 HydrophobicContact CD1-CD2 3.92Å; I278-L347 PolarHBondContact N-O 3.24Å; I278-L348 HydrophobicContact CB-CD1 4.45Å; I278-L348 HydrophobicContact CG2-CD1 4.25Å; I278-L348 VanDerWaalsContact O-CA 3.3Å; I278-L348 WeakPolarHBondContact O-CA 3.45Å; I278-Q349 PolarHBondContact O-N 2.95Å
279D88.1Confident91Very high1 Ų18 Ų81%0.0054%0.035CC..EExtended strand (participates in β ladder)trans-81.3159.7174.796.7-64.8000111.6S281 D282 G283 Q349 V376 T378D279-S281 VanDerWaalsContact C-N 3.27Å; D279-S281 PolarHBondContact O-N 2.91Å; D279-S281 WeakPolarHBondContact OD2-CA 3.41Å; D279-S281 WeakPolarHBondContact OD2-CB 3.23Å; D279-S281 PolarHBondContact OD2-N 2.98Å; D279-D282 WeakPolarHBondContact OD1-CB 3.27Å; D279-D282 PolarHBondContact OD1-N 3.13Å; D279-G283 WeakPolarHBondContact O-CA 3.2Å; D279-G283 PolarHBondContact O-N 3.21Å; D279-Q349 CarbonylContact C-O 3.6Å; D279-Q349 WeakPolarHBondContact CA-O 3.5Å; D279-V376 HydrophobicContact CB-CG1 4.04Å; D279-V376 HydrophobicContact CB-CG2 4.12Å; D279-T378 PolarHBondContact OD1-OG1 3.19Å; D279-T378 PolarHBondContact OD2-OG1 3.08Å
280F86.2Confident90.6Very high27 Ų279.3 Ų9.312%0.1184%0.042CC..Hα-helixtrans-59.6-35.4178.6-62.9-20.5000113.5S284 L289 H294 L348 Q349 P350 C439F280-S284 PolarHBondContact O-N 2.93Å; F280-S284 VanDerWaalsContact O-N 3.13Å; F280-S284 PolarHBondContact O-OG 2.84Å; F280-L289 HydrophobicContact CB-CD2 4.45Å; F280-L289 WeakPolarHBondContact O-CD2 3.42Å; F280-H294 HydrophobicContact CD1-CB 4.38Å; F280-H294 HydrophobicContact CD2-CB 4.23Å; F280-H294 HydrophobicContact CE1-CB 3.97Å; F280-H294 HydrophobicContact CE2-CB 3.8Å; F280-H294 AromaticContact CE2-CG 3.85Å; F280-H294 AromaticContact CE2-ND1 3.81Å; F280-H294 HydrophobicContact CZ-CB 3.67Å; F280-L348 HydrophobicContact CD1-CD1 3.81Å; F280-L348 HydrophobicContact CD1-CD2 3.86Å; F280-L348 HydrophobicContact CD1-CG 3.57Å; F280-L348 HydrophobicContact CE1-CD1 4.38Å; F280-L348 HydrophobicContact CE1-CD2 3.8Å; F280-L348 HydrophobicContact CE1-CG 3.63Å; F280-Q349 WeakPolarHBondContact CD1-O 3.43Å; F280-Q349 VanDerWaalsContact CE1-C 3.45Å; F280-Q349 PolarHBondContact N-O 3.47Å; F280-Q349 VanDerWaalsContact N-O 3.07Å; F280-P350 HydrophobicContact CD2-CB 3.81Å; F280-P350 HydrophobicContact CE2-CB 3.5Å; F280-P350 HydrophobicContact CE2-CG 4.05Å; F280-P350 HydrophobicContact CZ-CB 4.12Å; F280-P350 HydrophobicContact CZ-CG 4.24Å; F280-C439 HydrophobicContact CB-CB 3.88Å
281S85.7Confident90Very high0 Ų09.8 Ų9.80%05%0.045CC..Hα-helixtrans-70.3-53.3-175.7-160.70000111.3D279 G283 S284 P382 C439D279-S281 VanDerWaalsContact C-N 3.27Å; D279-S281 PolarHBondContact O-N 2.91Å; D279-S281 WeakPolarHBondContact OD2-CA 3.41Å; D279-S281 WeakPolarHBondContact OD2-CB 3.23Å; D279-S281 PolarHBondContact OD2-N 2.98Å; S281-G283 VanDerWaalsContact C-N 3.33Å; S281-G283 PolarHBondContact O-N 2.97Å; S281-S284 WeakPolarHBondContact O-CB 3.44Å; S281-S284 PolarHBondContact O-N 2.89Å; S281-S284 PolarHBondContact O-OG 2.72Å; S281-P382 VanDerWaalsContact OG-CB 3.26Å; S281-P382 WeakPolarHBondContact OG-CB 3.45Å; S281-P382 WeakPolarHBondContact OG-CG 3.4Å; S281-C439 WeakPolarHBondContact CA-O 3.45Å; S281-C439 VanDerWaalsContact CB-O 3.29Å; S281-C439 WeakPolarHBondContact CB-O 3.24Å; S281-C439 PolarHBondContact OG-O 2.77Å
282D89Confident89.3Confident0 Ų017.8 Ų17.80%08%0.079CC..Hα-helixtrans-71.2-31.9177.7-150.725.6000111.8Q94 L262 S264 D279 S284 G285 G379Q94-D282 WeakPolarHBondContact CG-OD1 3.39Å; Q94-D282 PolarHBondContact NE2-OD1 3.09Å; L262-D282 HydrophobicContact CD1-CB 3.82Å; L262-D282 WeakPolarHBondContact CD1-O 3.36Å; L262-D282 WeakPolarHBondContact CD1-OD2 3.33Å; S264-D282 WeakPolarHBondContact CB-OD2 3.28Å; S264-D282 PolarHBondContact OG-OD2 3Å; D279-D282 WeakPolarHBondContact OD1-CB 3.27Å; D279-D282 PolarHBondContact OD1-N 3.13Å; D282-S284 PolarHBondContact O-N 2.88Å; D282-G285 PolarHBondContact O-N 2.99Å; D282-G379 WeakPolarHBondContact OD1-CA 3.37Å
283G89.3Confident88.7Confident0 Ų021 Ų210%010%0.099CC..Hα-helixtrans-59.5-25.2172.100000113.9D279 S281 G285 M286 L289D279-G283 WeakPolarHBondContact O-CA 3.2Å; D279-G283 PolarHBondContact O-N 3.21Å; S281-G283 VanDerWaalsContact C-N 3.33Å; S281-G283 PolarHBondContact O-N 2.97Å; G283-G285 PolarHBondContact O-N 3.4Å; G283-M286 WeakPolarHBondContact O-CB 3.42Å; G283-M286 WeakPolarHBondContact O-CG 3.38Å; G283-M286 PolarHBondContact O-N 2.59Å; G283-L289 WeakPolarHBondContact O-CB 3.39Å
284S89.6Confident88Confident0 Ų022.9 Ų22.90%011%0.107CC..G310 helixtrans-65.3-26.2173.2-57.90000112.5F280 S281 D282 M286 L291 F438 C439F280-S284 PolarHBondContact O-N 2.93Å; F280-S284 VanDerWaalsContact O-N 3.13Å; F280-S284 PolarHBondContact O-OG 2.84Å; S281-S284 WeakPolarHBondContact O-CB 3.44Å; S281-S284 PolarHBondContact O-N 2.89Å; S281-S284 PolarHBondContact O-OG 2.72Å; D282-S284 PolarHBondContact O-N 2.88Å; S284-M286 PolarHBondContact O-N 2.95Å; S284-L291 VanDerWaalsContact OG-CD2 3.28Å; S284-L291 WeakPolarHBondContact OG-CD2 3.42Å; S284-F438 VanDerWaalsContact CB-CB 3.45Å; S284-F438 VanDerWaalsContact CB-CD1 3.41Å; S284-F438 VanDerWaalsContact CB-CG 3.49Å; S284-C439 PolarHBondContact OG-N 3.37Å
285G89.1Confident87.5Confident0 Ų022.9 Ų22.90%011%0.112CC..G310 helixtrans-78.415.4178.200000115.2H95 F167 D282 G283H95-G285 PolarHBondContact ND1-O 3.49Å; F167-G285 VanDerWaalsContact CD2-O 3.31Å; F167-G285 WeakPolarHBondContact CD2-O 3.38Å; F167-G285 VanDerWaalsContact CG-O 3.31Å; F167-G285 WeakPolarHBondContact CG-O 3.18Å; D282-G285 PolarHBondContact O-N 2.99Å; G283-G285 PolarHBondContact O-N 3.4Å
286M91.9Very high87.1Confident0 Ų023.4 Ų23.40%011%0.114CC..G310 helixtrans-110-14.4-171.8-58.2-178.880.200114.9T168 G169 L262 I278 G283 S284 L288 W296 L346T168-M286 HydrophobicContact CG2-CE 3.72Å; G169-M286 VanDerWaalsContact CA-O 3.27Å; G169-M286 WeakPolarHBondContact CA-O 3.19Å; G169-M286 PolarHBondContact N-O 3.35Å; L262-M286 HydrophobicContact CD1-CG 4.09Å; L262-M286 HydrophobicContact CD1-SD 3.95Å; L262-M286 HydrophobicContact CD2-CE 4.08Å; L262-M286 HydrophobicContact CD2-CG 4.15Å; L262-M286 HydrophobicContact CD2-SD 4.26Å; L262-M286 HydrophobicContact CG-CE 4.31Å; L262-M286 HydrophobicContact CG-SD 4.17Å; I278-M286 HydrophobicContact CD1-CE 3.99Å; I278-M286 HydrophobicContact CD1-SD 4.05Å; I278-M286 HydrophobicContact CG2-SD 4.33Å; G283-M286 WeakPolarHBondContact O-CB 3.42Å; G283-M286 WeakPolarHBondContact O-CG 3.38Å; G283-M286 PolarHBondContact O-N 2.59Å; S284-M286 PolarHBondContact O-N 2.95Å; M286-L288 HydrophobicContact CB-CB 4.06Å; M286-L288 HydrophobicContact CB-CD1 4.36Å; M286-L288 HydrophobicContact CB-CG 4.13Å; M286-L288 HydrophobicContact CE-CD1 4.14Å; M286-L288 PolarHBondContact O-N 3.14Å; M286-W296 HydrophobicContact CE-CH2 4.39Å; M286-W296 HydrophobicContact SD-CH2 3.46Å; M286-W296 WeakPolarHBondContact SD-CH2 3.5Å; M286-W296 HydrophobicContact SD-CZ3 3.69Å; M286-L346 HydrophobicContact CE-CD2 4.45Å
287N93Very high86.7Confident0 Ų023.3 Ų23.30%011%0.114CC..THydrogen-bonded Turntrans57.723.8-162.8-64.2131.6000113.7L145 L155 T159 S161 A162 A163 H164 F167 C300L145-N287 HydrophobicContact CD2-CB 3.72Å; L155-N287 HydrophobicContact CD1-CB 4.49Å; L155-N287 HydrophobicContact CD2-CB 4.37Å; T159-N287 PolarHBondContact OG1-ND2 2.76Å; S161-N287 PolarHBondContact O-ND2 2.65Å; S161-N287 VanDerWaalsContact O-ND2 3.14Å; A162-N287 PolarHBondContact O-ND2 3.13Å; A163-N287 WeakPolarHBondContact CA-OD1 3.36Å; H164-N287 PolarHBondContact N-OD1 3.19Å; F167-N287 WeakPolarHBondContact CB-OD1 3.38Å; F167-N287 HydrophobicContact CD2-CB 4.18Å; F167-N287 WeakPolarHBondContact CD2-ND2 3.45Å; F167-N287 WeakPolarHBondContact CD2-OD1 3.22Å; F167-N287 WeakPolarHBondContact CG-OD1 3.33Å; N287-C300 WeakPolarHBondContact O-CB 3.37Å; N287-C300 PolarHBondContact O-SG 3.12Å; N287-C300 VanDerWaalsContact O-SG 3.32Å
288L90.1Very high86.1Confident0 Ų024.6 Ų24.60%012%0.122CC..  trans-119.5-29.2-179.8-62.4-178.7000112.8L172 M286 W296 A297 C300 L301 V304 L346L172-L288 HydrophobicContact CD1-CD1 4.2Å; M286-L288 HydrophobicContact CB-CB 4.06Å; M286-L288 HydrophobicContact CB-CD1 4.36Å; M286-L288 HydrophobicContact CB-CG 4.13Å; M286-L288 HydrophobicContact CE-CD1 4.14Å; M286-L288 PolarHBondContact O-N 3.14Å; L288-W296 HydrophobicContact CB-CE3 3.68Å; L288-W296 HydrophobicContact CB-CZ3 3.87Å; L288-W296 CarbonylContact O-C 3.56Å; L288-W296 WeakPolarHBondContact O-CA 3.45Å; L288-A297 WeakPolarHBondContact O-CB 3.11Å; L288-A297 PolarHBondContact O-N 3.12Å; L288-C300 HydrophobicContact CD2-CB 3.78Å; L288-L301 HydrophobicContact CB-CD2 4.41Å; L288-L301 HydrophobicContact CD1-CD2 3.94Å; L288-L301 HydrophobicContact CD2-CD2 3.97Å; L288-L301 HydrophobicContact CG-CD2 4.33Å; L288-V304 HydrophobicContact CD2-CB 4.28Å; L288-V304 HydrophobicContact CD2-CG2 3.84Å; L288-L346 HydrophobicContact CD1-CD1 4.32Å
289L87.4Confident85.7Confident0 Ų028.7 Ų28.70%014%0.141CC..EExtended strand (participates in β ladder)trans-78.8129-178.2179.358.9000111.1T159 F280 G283 L291 W296 L348T159-L289 VanDerWaalsContact CA-O 3.24Å; T159-L289 WeakPolarHBondContact CA-O 3.49Å; T159-L289 VanDerWaalsContact CB-O 3.3Å; T159-L289 WeakPolarHBondContact CB-O 3.3Å; T159-L289 WeakPolarHBondContact CG2-O 3.12Å; F280-L289 HydrophobicContact CB-CD2 4.45Å; F280-L289 WeakPolarHBondContact O-CD2 3.42Å; G283-L289 WeakPolarHBondContact O-CB 3.39Å; L289-L291 HydrophobicContact CD2-CD2 4.21Å; L289-L291 HydrophobicContact CG-CD2 4.36Å; L289-L291 PolarHBondContact O-N 2.8Å; L289-W296 HydrophobicContact CB-CE3 4.16Å; L289-W296 HydrophobicContact CB-CZ3 3.96Å; L289-L348 HydrophobicContact CD1-CD1 4.39Å; L289-L348 HydrophobicContact CD1-CD2 3.34Å; L289-L348 HydrophobicContact CD1-CG 4.49Å
290N88.2Confident85.6Confident27 Ų2728.7 Ų28.714%0.14414%0.141CC..EExtended strand (participates in β ladder)trans-79.9110.8164.8-178.6-24.2000109.2L158 K292 T293 H294 M295 A297L158-N290 HydrophobicContact CD1-CB 4.06Å; L158-N290 VanDerWaalsContact CD1-ND2 3.34Å; L158-N290 WeakPolarHBondContact CD1-ND2 3.04Å; L158-N290 WeakPolarHBondContact O-CA 3.49Å; N290-K292 PolarHBondContact O-N 3.12Å; N290-K292 PolarHBondContact OD1-N 3.05Å; N290-T293 WeakPolarHBondContact CB-OG1 3.27Å; N290-T293 VanDerWaalsContact CG-OG1 3.31Å; N290-T293 PolarHBondContact O-N 3.11Å; N290-T293 PolarHBondContact OD1-N 3.18Å; N290-H294 WeakPolarHBondContact O-CA 3.38Å; N290-H294 PolarHBondContact O-N 2.86Å; N290-M295 VanDerWaalsContact CB-O 3.25Å; N290-M295 WeakPolarHBondContact CB-O 3.29Å; N290-M295 PolarHBondContact N-O 3.34Å; N290-A297 HydrophobicContact CB-CB 4.33Å
291L85.2Confident85.2Confident11 Ų1127.5 Ų27.56%0.05814%0.136CC..THydrogen-bonded Turntrans-65.9-21.2-174.6-67.9-170.8000114.6L158 S284 L289 H294 I437 Y447L158-L291 PolarHBondContact O-N 3.36Å; L158-L291 VanDerWaalsContact O-N 3.1Å; S284-L291 VanDerWaalsContact OG-CD2 3.28Å; S284-L291 WeakPolarHBondContact OG-CD2 3.42Å; L289-L291 HydrophobicContact CD2-CD2 4.21Å; L289-L291 HydrophobicContact CG-CD2 4.36Å; L289-L291 PolarHBondContact O-N 2.8Å; L291-H294 PolarHBondContact O-CD2 3.21Å; L291-H294 PolarHBondContact O-NE2 3.41Å; L291-I437 HydrophobicContact CD1-CB 4.24Å; L291-I437 HydrophobicContact CD1-CG2 3.93Å; L291-I437 VanDerWaalsContact CD1-O 3.28Å; L291-I437 WeakPolarHBondContact CD1-O 3.38Å; L291-Y447 HydrophobicContact CB-CE1 3.94Å; L291-Y447 HydrophobicContact CD1-CD1 4.4Å; L291-Y447 HydrophobicContact CD1-CE1 4.42Å; L291-Y447 PolarHBondContact O-OH 2.56Å
292K83.1Confident84.6Confident168 Ų16829.7 Ų29.773%0.7315%0.145SC*.THydrogen-bonded Turntrans-85.7-36.4-179.6-67.4-175.4177.5-173.80112.3N290N290-K292 PolarHBondContact O-N 3.12Å; N290-K292 PolarHBondContact OD1-N 3.05Å
293T82.2Confident84.1Confident77 Ų7730.2 Ų30.247%0.47215%0.148SC..THydrogen-bonded Turntrans-99.1-10.1-175.465.60000112.8N290 M295N290-T293 WeakPolarHBondContact CB-OG1 3.27Å; N290-T293 VanDerWaalsContact CG-OG1 3.31Å; N290-T293 PolarHBondContact O-N 3.11Å; N290-T293 PolarHBondContact OD1-N 3.18Å; T293-M295 PolarHBondContact O-N 3.38Å; T293-M295 PolarHBondContact OG1-N 3.4Å
294H81Confident83.5Confident47 Ų4730.2 Ų30.222%0.21815%0.148CC..THydrogen-bonded Turntrans51.434.8-171.1-57.5151.4000113F280 N290 L291 L348 P444F280-H294 HydrophobicContact CD1-CB 4.38Å; F280-H294 HydrophobicContact CD2-CB 4.23Å; F280-H294 HydrophobicContact CE1-CB 3.97Å; F280-H294 HydrophobicContact CE2-CB 3.8Å; F280-H294 AromaticContact CE2-CG 3.85Å; F280-H294 AromaticContact CE2-ND1 3.81Å; F280-H294 HydrophobicContact CZ-CB 3.67Å; N290-H294 WeakPolarHBondContact O-CA 3.38Å; N290-H294 PolarHBondContact O-N 2.86Å; L291-H294 PolarHBondContact O-CD2 3.21Å; L291-H294 PolarHBondContact O-NE2 3.41Å; H294-L348 VanDerWaalsContact O-CD2 3.29Å; H294-L348 WeakPolarHBondContact O-CD2 3.24Å; H294-P444 PolarHBondContact CE1-O 3.24Å; H294-P444 VanDerWaalsContact CE1-O 3.29Å
295M81.1Confident82.3Confident105 Ų10530.8 Ų30.852%0.51715%0.152SC..EExtended strand (participates in β ladder)trans-126155.4176.2-65.5176.162.800109.1N290 T293 A297N290-M295 VanDerWaalsContact CB-O 3.25Å; N290-M295 WeakPolarHBondContact CB-O 3.29Å; N290-M295 PolarHBondContact N-O 3.34Å; T293-M295 PolarHBondContact O-N 3.38Å; T293-M295 PolarHBondContact OG1-N 3.4Å; M295-A297 PolarHBondContact O-N 3.1Å
296W82Confident80.8Confident19 Ų1931.1 Ų31.17%0.07215%0.154CC..EExtended strand (participates in β ladder)trans-61.1133.1171.7-56.7116.2000111.7I278 M286 L288 L289 P298 L301 L346 L348I278-W296 HydrophobicContact CD1-CH2 4.25Å; I278-W296 HydrophobicContact CD1-CZ2 4.26Å; I278-W296 HydrophobicContact CG2-CH2 4.25Å; M286-W296 HydrophobicContact CE-CH2 4.39Å; M286-W296 HydrophobicContact SD-CH2 3.46Å; M286-W296 WeakPolarHBondContact SD-CH2 3.5Å; M286-W296 HydrophobicContact SD-CZ3 3.69Å; L288-W296 HydrophobicContact CB-CE3 3.68Å; L288-W296 HydrophobicContact CB-CZ3 3.87Å; L288-W296 CarbonylContact O-C 3.56Å; L288-W296 WeakPolarHBondContact O-CA 3.45Å; L289-W296 HydrophobicContact CB-CE3 4.16Å; L289-W296 HydrophobicContact CB-CZ3 3.96Å; W296-P298 WeakPolarHBondContact O-CD 3.44Å; W296-L301 HydrophobicContact CB-CD1 3.41Å; W296-L301 VanDerWaalsContact CB-CD1 3.41Å; W296-L301 HydrophobicContact CB-CG 4.13Å; W296-L301 HydrophobicContact CG-CD1 4.11Å; W296-L346 HydrophobicContact CZ2-CB 3.76Å; W296-L346 PolarHBondContact NE1-O 3.45Å; W296-L348 HydrophobicContact CD2-CD2 4.45Å; W296-L348 HydrophobicContact CH2-CD1 3.75Å; W296-L348 HydrophobicContact CZ2-CB 3.79Å; W296-L348 HydrophobicContact CZ2-CD1 3.66Å; W296-L348 HydrophobicContact CZ2-CD2 4.37Å; W296-L348 HydrophobicContact CZ2-CG 4.11Å; W296-L348 HydrophobicContact CZ3-CD1 4.48Å
297A83.2Confident79.1Confident0 Ų035.4 Ų35.40%017%0.173CC..  trans-68.5109.3175.900000110L158 L288 N290 M295 E299 C300 L301L158-A297 HydrophobicContact CD1-CB 4.33Å; L158-A297 HydrophobicContact CD2-CB 3.71Å; L158-A297 HydrophobicContact CG-CB 3.96Å; L288-A297 WeakPolarHBondContact O-CB 3.11Å; L288-A297 PolarHBondContact O-N 3.12Å; N290-A297 HydrophobicContact CB-CB 4.33Å; M295-A297 PolarHBondContact O-N 3.1Å; A297-E299 PolarHBondContact O-N 3.02Å; A297-E299 VanDerWaalsContact O-N 3.17Å; A297-C300 HydrophobicContact CB-CB 4.08Å; A297-C300 PolarHBondContact O-N 2.95Å; A297-C300 VanDerWaalsContact O-N 3.09Å; A297-L301 PolarHBondContact O-N 3.25Å
298P74.9Confident77.2Confident32 Ų3243 Ų4321%0.20821%0.205CC..Hα-helixtrans-59.8-32.3-177.8-24.536.3000112.4W296 K302 Y335W296-P298 WeakPolarHBondContact O-CD 3.44Å; P298-K302 VanDerWaalsContact C-CE 3.46Å; P298-K302 WeakPolarHBondContact O-CB 3.47Å; P298-K302 WeakPolarHBondContact O-CE 3.39Å; P298-K302 WeakPolarHBondContact O-CG 3.35Å; P298-K302 PolarHBondContact O-N 3.04Å; P298-Y335 HydrophobicContact CB-CD1 3.82Å; P298-Y335 HydrophobicContact CB-CE1 4.19Å; P298-Y335 HydrophobicContact CB-CG 4.09Å
299E80.5Confident75.1Confident89 Ų8947.8 Ų47.842%0.41623%0.228SC..Hα-helixtrans-61.5-43.8176.7-63.172.7-159.400111.9V149 A297 V303V149-E299 HydrophobicContact CG1-CB 4.02Å; A297-E299 PolarHBondContact O-N 3.02Å; A297-E299 VanDerWaalsContact O-N 3.17Å; E299-V303 WeakPolarHBondContact O-CG2 3.35Å
300C85.4Confident73.6Confident0 Ų048.4 Ų48.40%023%0.232CC..Hα-helixtrans-70.7-47.2176.7-60.80000111.1L145 L155 N287 L288 A297 K302 V303 V304L145-C300 HydrophobicContact CD1-CB 4.15Å; L155-C300 VanDerWaalsContact CD1-SG 3.54Å; N287-C300 WeakPolarHBondContact O-CB 3.37Å; N287-C300 PolarHBondContact O-SG 3.12Å; N287-C300 VanDerWaalsContact O-SG 3.32Å; L288-C300 HydrophobicContact CD2-CB 3.78Å; A297-C300 HydrophobicContact CB-CB 4.08Å; A297-C300 PolarHBondContact O-N 2.95Å; A297-C300 VanDerWaalsContact O-N 3.09Å; C300-K302 VanDerWaalsContact C-N 3.28Å; C300-K302 PolarHBondContact O-N 3.1Å; C300-V303 WeakPolarHBondContact O-CB 3.24Å; C300-V303 PolarHBondContact O-N 2.77Å; C300-V304 PolarHBondContact O-N 3.48Å; C300-V304 VanDerWaalsContact O-N 3.08Å
301L77.9Confident72.2Confident2 Ų250.3 Ų50.31%0.0124%0.237CC..Hα-helixtrans-61.6-34.8-179.6-72.3-176.8000113F257 L288 W296 A297 V303 V304 C305 F343 L346F257-L301 HydrophobicContact CE1-CB 4.18Å; F257-L301 HydrophobicContact CE1-CD1 4.18Å; F257-L301 HydrophobicContact CE1-CD2 4.21Å; F257-L301 HydrophobicContact CE1-CG 4.46Å; F257-L301 HydrophobicContact CZ-CB 4.43Å; F257-L301 HydrophobicContact CZ-CD1 4.35Å; L288-L301 HydrophobicContact CB-CD2 4.41Å; L288-L301 HydrophobicContact CD1-CD2 3.94Å; L288-L301 HydrophobicContact CD2-CD2 3.97Å; L288-L301 HydrophobicContact CG-CD2 4.33Å; W296-L301 HydrophobicContact CB-CD1 3.41Å; W296-L301 VanDerWaalsContact CB-CD1 3.41Å; W296-L301 HydrophobicContact CB-CG 4.13Å; W296-L301 HydrophobicContact CG-CD1 4.11Å; A297-L301 PolarHBondContact O-N 3.25Å; L301-V303 PolarHBondContact O-N 2.7Å; L301-V304 PolarHBondContact O-N 2.95Å; L301-C305 PolarHBondContact O-N 2.87Å; L301-F343 HydrophobicContact CB-CE1 4.44Å; L301-F343 HydrophobicContact CD1-CD1 3.31Å; L301-F343 HydrophobicContact CD1-CE1 3.34Å; L301-F343 HydrophobicContact CD1-CG 4.24Å; L301-F343 HydrophobicContact CD1-CZ 4.33Å; L301-L346 HydrophobicContact CD2-CD1 4.09Å
302K73.1Confident70.9Confident46 Ų4656.2 Ų56.220%0.226%0.262CS..Hα-helixtrans-54.3-37.3172.4-85.6172.5-117.1-169.50112.1P298 C300 L306 R311 M331 Y335P298-K302 VanDerWaalsContact C-CE 3.46Å; P298-K302 WeakPolarHBondContact O-CB 3.47Å; P298-K302 WeakPolarHBondContact O-CE 3.39Å; P298-K302 WeakPolarHBondContact O-CG 3.35Å; P298-K302 PolarHBondContact O-N 3.04Å; C300-K302 VanDerWaalsContact C-N 3.28Å; C300-K302 PolarHBondContact O-N 3.1Å; K302-L306 HydrophobicContact CB-CD1 4.01Å; K302-L306 HydrophobicContact CG-CD1 3.74Å; K302-L306 WeakPolarHBondContact O-CB 3.28Å; K302-R311 PolarHBondContact O-NE 2.87Å; K302-M331 HydrophobicContact CD-CE 4.19Å; K302-Y335 HydrophobicContact CD-CE2 4.05Å; K302-Y335 WeakPolarHBondContact CD-OH 3.49Å; K302-Y335 WeakPolarHBondContact CE-OH 3.31Å; K302-Y335 HydrophobicContact CG-CE1 4.39Å; K302-Y335 WeakPolarHBondContact CG-OH 3.45Å
303V77.9Confident69.5Low11 Ų1148.4 Ų48.47%0.06723%0.229CC..Hα-helixtrans-86-28.5-175.6-174.90000111.5E144 L145 A148 L173 E299 C300 L301 R311E144-V303 HydrophobicContact CG-CG1 3.98Å; L145-V303 HydrophobicContact CD1-CB 4.06Å; L145-V303 HydrophobicContact CD1-CG1 4.24Å; A148-V303 HydrophobicContact CB-CB 4.32Å; A148-V303 HydrophobicContact CB-CG1 4.19Å; A148-V303 HydrophobicContact CB-CG2 3.2Å; L173-V303 WeakPolarHBondContact CD1-O 3.46Å; L173-V303 HydrophobicContact CD2-CG1 4.07Å; E299-V303 WeakPolarHBondContact O-CG2 3.35Å; C300-V303 WeakPolarHBondContact O-CB 3.24Å; C300-V303 PolarHBondContact O-N 2.77Å; L301-V303 PolarHBondContact O-N 2.7Å; V303-R311 VanDerWaalsContact C-NH2 3.28Å; V303-R311 PolarHBondContact O-NH1 3.4Å; V303-R311 PolarHBondContact O-NH2 3.25Å
304V77.3Confident68.5Low0 Ų045.2 Ų45.20%021%0.208CC..Hα-helixtrans-89.9-43.7-177176.70000111.9L145 G169 L172 L173 L288 C300 L301L145-V304 HydrophobicContact CD1-CG2 4.2Å; G169-V304 WeakPolarHBondContact O-CG1 3.43Å; L172-V304 HydrophobicContact CB-CG1 3.28Å; L172-V304 HydrophobicContact CD1-CG1 4.14Å; L172-V304 HydrophobicContact CG-CG1 4.35Å; L173-V304 HydrophobicContact CB-CG2 4.42Å; L288-V304 HydrophobicContact CD2-CB 4.28Å; L288-V304 HydrophobicContact CD2-CG2 3.84Å; C300-V304 PolarHBondContact O-N 3.48Å; C300-V304 VanDerWaalsContact O-N 3.08Å; L301-V304 PolarHBondContact O-N 2.95Å
305C63.3Low67.7Low13 Ų1349.6 Ų49.69%0.08823%0.227CC..THydrogen-bonded Turntrans-110.6-19.3-163-570000114.6Y183 F257 L301 K307Y183-C305 WeakPolarHBondContact OH-CA 3.17Å; Y183-C305 PolarHBondContact OH-O 3.25Å; F257-C305 HydrophobicContact CD1-CB 3.55Å; F257-C305 HydrophobicContact CE1-CB 3.29Å; F257-C305 HydrophobicContact CZ-CB 4.3Å; L301-C305 PolarHBondContact O-N 2.87Å; C305-K307 PolarHBondContact O-N 3.48Å
306L58.5Low66.8Low6 Ų647.9 Ų47.93%0.03122%0.215CC..SBendtrans-77.5118.9178.1-67.4175.5000110.6M255 K302 K308 V310 R311M255-L306 HydrophobicContact CE-CD2 3.65Å; M255-L306 HydrophobicContact CE-CG 4.44Å; M255-L306 HydrophobicContact SD-CD2 3.14Å; M255-L306 WeakPolarHBondContact SD-CD2 3.21Å; M255-L306 HydrophobicContact SD-CG 4.35Å; K302-L306 HydrophobicContact CB-CD1 4.01Å; K302-L306 HydrophobicContact CG-CD1 3.74Å; K302-L306 WeakPolarHBondContact O-CB 3.28Å; L306-K308 PolarHBondContact O-N 3.42Å; L306-V310 HydrophobicContact CB-CB 4.41Å; L306-V310 HydrophobicContact CD2-CB 3.98Å; L306-V310 HydrophobicContact CD2-CG1 3.47Å; L306-V310 VanDerWaalsContact CD2-CG1 3.47Å; L306-V310 HydrophobicContact CG-CG1 4.49Å; L306-R311 HydrophobicContact CB-CG 3.51Å; L306-R311 HydrophobicContact CD1-CG 4.13Å; L306-R311 HydrophobicContact CG-CG 4.48Å; L306-R311 PolarHBondContact O-NE 3.36Å; L306-R311 PolarHBondContact O-NH2 3.32Å
307K55.6Low65.7Low90 Ų9047.7 Ų47.739%0.39122%0.215SC..  trans-48.4139.5163.7-70-176.1176.2-1790108.5N184 C305 Q309 V310 R311N184-K307 WeakPolarHBondContact OD1-CE 3.26Å; N184-K307 PolarHBondContact OD1-NZ 3.47Å; C305-K307 PolarHBondContact O-N 3.48Å; K307-Q309 PolarHBondContact O-N 3.2Å; K307-V310 HydrophobicContact CB-CG2 4.22Å; K307-V310 WeakPolarHBondContact O-CA 3.26Å; K307-V310 PolarHBondContact O-N 2.75Å; K307-R311 PolarHBondContact O-N 3.02Å
308K53Low64.7Low159 Ų15949.2 Ų49.269%0.69123%0.227SC*.Hα-helixtrans-48.6-33.8180-170.6175.7-176.2174.90112.6L306 R311 K312L306-K308 PolarHBondContact O-N 3.42Å; K308-R311 PolarHBondContact O-N 3.15Å; K308-K312 WeakPolarHBondContact O-CG 3.47Å; K308-K312 PolarHBondContact O-N 2.79Å
309Q47.3Very low64.1Low102 Ų10251.5 Ų51.548%0.47724%0.238SC..Hα-helixtrans-65.8-43.5174.9-73.5165.5-800113.2V218 K307 K312 C313V218-Q309 HydrophobicContact CG2-CB 3.8Å; V218-Q309 HydrophobicContact CG2-CG 4.41Å; K307-Q309 PolarHBondContact O-N 3.2Å; Q309-K312 WeakPolarHBondContact O-CB 3.27Å; Q309-K312 PolarHBondContact O-N 2.81Å; Q309-C313 PolarHBondContact O-N 2.87Å; Q309-C313 PolarHBondContact O-SG 3.14Å; Q309-C313 VanDerWaalsContact O-SG 3.41Å
310V55Low63.2Low12 Ų1248.9 Ų48.97%0.07323%0.226CC..Hα-helixtrans-66.5-40.1174.9-173.50000110.1V254 M255 L306 K307 K312 C313 M314V254-V310 HydrophobicContact CG1-CB 4.29Å; V254-V310 HydrophobicContact CG1-CG1 3.91Å; V254-V310 HydrophobicContact CG1-CG2 3.38Å; M255-V310 HydrophobicContact SD-CG1 4.21Å; L306-V310 HydrophobicContact CB-CB 4.41Å; L306-V310 HydrophobicContact CD2-CB 3.98Å; L306-V310 HydrophobicContact CD2-CG1 3.47Å; L306-V310 VanDerWaalsContact CD2-CG1 3.47Å; L306-V310 HydrophobicContact CG-CG1 4.49Å; K307-V310 HydrophobicContact CB-CG2 4.22Å; K307-V310 WeakPolarHBondContact O-CA 3.26Å; K307-V310 PolarHBondContact O-N 2.75Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 3.48Å; V310-C313 CarbonylContact O-C 3.56Å; V310-C313 WeakPolarHBondContact O-CB 3.35Å; V310-C313 PolarHBondContact O-N 3.4Å; V310-C313 VanDerWaalsContact O-N 3.12Å; V310-M314 HydrophobicContact CG1-CG 4.13Å; V310-M314 WeakPolarHBondContact O-CB 3.48Å; V310-M314 VanDerWaalsContact O-CG 3.27Å; V310-M314 WeakPolarHBondContact O-CG 3.37Å; V310-M314 PolarHBondContact O-N 3.29Å
311R59.4Low61.9Low68 Ų6849.2 Ų49.226%0.25723%0.229SC..Hα-helixtrans-58.1-42.5171.6-61.4-171.7-158.4165.714.5112E144 K302 V303 L306 K307 K308 M314 K315E144-R311 IonicContact OE1-NH1 2.63Å; E144-R311 PolarHBondContact OE1-NH1 3.06Å; K302-R311 PolarHBondContact O-NE 2.87Å; V303-R311 VanDerWaalsContact C-NH2 3.28Å; V303-R311 PolarHBondContact O-NH1 3.4Å; V303-R311 PolarHBondContact O-NH2 3.25Å; L306-R311 HydrophobicContact CB-CG 3.51Å; L306-R311 HydrophobicContact CD1-CG 4.13Å; L306-R311 HydrophobicContact CG-CG 4.48Å; L306-R311 PolarHBondContact O-NE 3.36Å; L306-R311 PolarHBondContact O-NH2 3.32Å; K307-R311 PolarHBondContact O-N 3.02Å; K308-R311 PolarHBondContact O-N 3.15Å; R311-M314 PolarHBondContact O-N 2.89Å; R311-K315 VanDerWaalsContact O-CB 3.32Å; R311-K315 WeakPolarHBondContact O-CB 3.34Å; R311-K315 PolarHBondContact O-N 3.43Å
312K57.6Low61.2Low135 Ų13554 Ų5459%0.58726%0.261SS*.Hα-helixtrans-63-41.9174.3-75.8-177.2179.8-172.50111.9K308 Q309 V310 W316K308-K312 WeakPolarHBondContact O-CG 3.47Å; K308-K312 PolarHBondContact O-N 2.79Å; Q309-K312 WeakPolarHBondContact O-CB 3.27Å; Q309-K312 PolarHBondContact O-N 2.81Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 3.48Å; K312-W316 VanDerWaalsContact O-CB 3.28Å; K312-W316 WeakPolarHBondContact O-CB 3.32Å; K312-W316 PolarHBondContact O-N 3.11Å
313C54.4Low60.6Low4 Ų461.9 Ų61.93%0.02729%0.29CS..Hα-helixtrans-62.5-49174.6-71.70000111.8V218 I221 Q309 V310 K315 W316 I317V218-C313 VanDerWaalsContact CG1-SG 3.53Å; I221-C313 HydrophobicContact CG2-CB 4.4Å; Q309-C313 PolarHBondContact O-N 2.87Å; Q309-C313 PolarHBondContact O-SG 3.14Å; Q309-C313 VanDerWaalsContact O-SG 3.41Å; V310-C313 CarbonylContact O-C 3.56Å; V310-C313 WeakPolarHBondContact O-CB 3.35Å; V310-C313 PolarHBondContact O-N 3.4Å; V310-C313 VanDerWaalsContact O-N 3.12Å; C313-K315 VanDerWaalsContact C-N 3.33Å; C313-K315 PolarHBondContact O-N 3.33Å; C313-W316 CarbonylContact O-C 3.11Å; C313-W316 WeakPolarHBondContact O-CB 3.35Å; C313-W316 PolarHBondContact O-N 3.23Å; C313-W316 VanDerWaalsContact O-N 3.15Å; C313-I317 VanDerWaalsContact O-CG1 3.28Å; C313-I317 WeakPolarHBondContact O-CG1 3.39Å; C313-I317 PolarHBondContact O-N 3.29Å
314M60.7Low59.8Low9 Ų965.2 Ų65.24%0.04431%0.307CS..Hα-helixtrans-63.8-39.2-179.9-65.4-60.1-77.300111.6I251 V310 R311 I317 A318 M331I251-M314 HydrophobicContact CD1-SD 4.02Å; V310-M314 HydrophobicContact CG1-CG 4.13Å; V310-M314 WeakPolarHBondContact O-CB 3.48Å; V310-M314 VanDerWaalsContact O-CG 3.27Å; V310-M314 WeakPolarHBondContact O-CG 3.37Å; V310-M314 PolarHBondContact O-N 3.29Å; R311-M314 PolarHBondContact O-N 2.89Å; M314-I317 PolarHBondContact O-N 2.94Å; M314-I317 HydrophobicContact SD-CD1 4.14Å; M314-A318 WeakPolarHBondContact O-CB 3.3Å; M314-A318 PolarHBondContact O-N 2.87Å; M314-M331 HydrophobicContact CB-CE 4.04Å; M314-M331 HydrophobicContact CE-CE 3.88Å; M314-M331 HydrophobicContact CE-SD 3.58Å; M314-M331 VanDerWaalsContact CE-SD 3.58Å
315K64.3Low58.9Low140 Ų14074.5 Ų74.561%0.60935%0.347SS*.Hα-helixtrans-62.1-46.1172.1-173.6175.2179.9177.30111.2R311 C313 I317 A318 D319R311-K315 VanDerWaalsContact O-CB 3.32Å; R311-K315 WeakPolarHBondContact O-CB 3.34Å; R311-K315 PolarHBondContact O-N 3.43Å; C313-K315 VanDerWaalsContact C-N 3.33Å; C313-K315 PolarHBondContact O-N 3.33Å; K315-I317 PolarHBondContact O-N 2.99Å; K315-A318 PolarHBondContact O-N 3.39Å; K315-D319 WeakPolarHBondContact O-CB 3.4Å; K315-D319 PolarHBondContact O-N 2.9Å
316W62Low58.5Low68 Ų6876.4 Ų76.426%0.25836%0.355SS..Hα-helixtrans-62.9-40.6177.2179.182.5000112.5R222 A225 I226 K312 C313 D319 I320R222-W316 HydrophobicContact CB-CH2 4.03Å; R222-W316 HydrophobicContact CB-CZ3 4.16Å; R222-W316 HydrophobicContact CG-CD2 4.46Å; R222-W316 HydrophobicContact CG-CE3 4.05Å; R222-W316 HydrophobicContact CG-CH2 3.93Å; R222-W316 HydrophobicContact CG-CZ2 4.32Å; R222-W316 HydrophobicContact CG-CZ3 3.79Å; A225-W316 HydrophobicContact CB-CH2 4.24Å; A225-W316 HydrophobicContact CB-CZ3 3.69Å; I226-W316 HydrophobicContact CD1-CH2 4.35Å; I226-W316 HydrophobicContact CG1-CH2 4.02Å; K312-W316 VanDerWaalsContact O-CB 3.28Å; K312-W316 WeakPolarHBondContact O-CB 3.32Å; K312-W316 PolarHBondContact O-N 3.11Å; C313-W316 CarbonylContact O-C 3.11Å; C313-W316 WeakPolarHBondContact O-CB 3.35Å; C313-W316 PolarHBondContact O-N 3.23Å; C313-W316 VanDerWaalsContact O-N 3.15Å; W316-D319 PolarHBondContact O-N 2.81Å; W316-I320 HydrophobicContact CD2-CD1 3.53Å; W316-I320 HydrophobicContact CE3-CD1 3.79Å; W316-I320 HydrophobicContact CG-CD1 4.27Å; W316-I320 HydrophobicContact CH2-CD1 3.46Å; W316-I320 VanDerWaalsContact CH2-CD1 3.46Å; W316-I320 HydrophobicContact CZ2-CD1 3.19Å; W316-I320 HydrophobicContact CZ3-CD1 3.74Å; W316-I320 VanDerWaalsContact O-CG1 3.31Å; W316-I320 WeakPolarHBondContact O-CG1 3.42Å; W316-I320 PolarHBondContact O-N 2.74Å
317I58.8Low58.1Low15 Ų1585 Ų858%0.07739%0.392CS..Hα-helixtrans-62.3-45.4173.3-67.5158.1000110.4I221 F247 I251 C313 M314 K315 I320 S321I221-I317 HydrophobicContact CG2-CD1 4.06Å; F247-I317 HydrophobicContact CE1-CD1 4.42Å; F247-I317 HydrophobicContact CZ-CD1 3.71Å; F247-I317 HydrophobicContact CZ-CG1 4.34Å; I251-I317 HydrophobicContact CD1-CD1 4.24Å; C313-I317 VanDerWaalsContact O-CG1 3.28Å; C313-I317 WeakPolarHBondContact O-CG1 3.39Å; C313-I317 PolarHBondContact O-N 3.29Å; M314-I317 PolarHBondContact O-N 2.94Å; M314-I317 HydrophobicContact SD-CD1 4.14Å; K315-I317 PolarHBondContact O-N 2.99Å; I317-I320 PolarHBondContact O-N 2.63Å; I317-S321 WeakPolarHBondContact O-CB 3.36Å; I317-S321 PolarHBondContact O-N 3.48Å; I317-S321 PolarHBondContact O-OG 2.87Å
318A62.4Low57.8Low32 Ų3283.3 Ų83.326%0.26440%0.395SS..Hα-helixtrans-63.4-42.5177.700000112M314 K315 I320 S321 C322 M331M314-A318 WeakPolarHBondContact O-CB 3.3Å; M314-A318 PolarHBondContact O-N 2.87Å; K315-A318 PolarHBondContact O-N 3.39Å; A318-I320 PolarHBondContact O-N 2.67Å; A318-S321 PolarHBondContact O-N 3.37Å; A318-C322 WeakPolarHBondContact O-CB 3.11Å; A318-C322 PolarHBondContact O-N 3.44Å; A318-M331 HydrophobicContact CB-CG 4.16Å
319D62.8Low57.7Low81 Ų8176.3 Ų76.343%0.43336%0.364SS..Hα-helixtrans-62.5-41.7177.1-70.2-20.2000111K315 W316 R323K315-D319 WeakPolarHBondContact O-CB 3.4Å; K315-D319 PolarHBondContact O-N 2.9Å; W316-D319 PolarHBondContact O-N 2.81Å; D319-R323 WeakPolarHBondContact O-CG 3.44Å; D319-R323 PolarHBondContact O-N 2.82Å
320I60.5Low57.9Low33 Ų3373.7 Ų73.717%0.16936%0.357CS..Hα-helixtrans-70.3-42.7176.1-65.1167.1000111.7L229 W316 I317 A318 C322 R323 L324L229-I320 HydrophobicContact CD1-CB 4.22Å; L229-I320 HydrophobicContact CD1-CD1 4.48Å; L229-I320 HydrophobicContact CD1-CG2 3.26Å; L229-I320 HydrophobicContact CG-CG2 4.49Å; W316-I320 HydrophobicContact CD2-CD1 3.53Å; W316-I320 HydrophobicContact CE3-CD1 3.79Å; W316-I320 HydrophobicContact CG-CD1 4.27Å; W316-I320 HydrophobicContact CH2-CD1 3.46Å; W316-I320 VanDerWaalsContact CH2-CD1 3.46Å; W316-I320 HydrophobicContact CZ2-CD1 3.19Å; W316-I320 HydrophobicContact CZ3-CD1 3.74Å; W316-I320 VanDerWaalsContact O-CG1 3.31Å; W316-I320 WeakPolarHBondContact O-CG1 3.42Å; W316-I320 PolarHBondContact O-N 2.74Å; I317-I320 PolarHBondContact O-N 2.63Å; A318-I320 PolarHBondContact O-N 2.67Å; I320-C322 PolarHBondContact O-N 2.88Å; I320-R323 WeakPolarHBondContact O-CB 3.38Å; I320-R323 PolarHBondContact O-N 3.29Å; I320-L324 HydrophobicContact CG2-CD1 3.62Å; I320-L324 HydrophobicContact CG2-CG 4.06Å; I320-L324 WeakPolarHBondContact O-CG 3.32Å; I320-L324 PolarHBondContact O-N 3.46Å
321S58.2Low57.6Low7 Ų775.6 Ų75.65%0.04937%0.365CS..Hα-helixtrans-59.4-38.9177.7-57.30000111.2I317 A318 L324 K325 Q326 W329I317-S321 WeakPolarHBondContact O-CB 3.36Å; I317-S321 PolarHBondContact O-N 3.48Å; I317-S321 PolarHBondContact O-OG 2.87Å; A318-S321 PolarHBondContact O-N 3.37Å; S321-L324 PolarHBondContact O-N 3.22Å; S321-K325 PolarHBondContact O-N 3.01Å; S321-Q326 PolarHBondContact O-N 2.96Å; S321-W329 WeakPolarHBondContact CB-O 3.23Å; S321-W329 VanDerWaalsContact OG-CB 3.27Å; S321-W329 WeakPolarHBondContact OG-CB 3.37Å; S321-W329 PolarHBondContact OG-O 2.99Å
322C62.6Low57.3Low102 Ų10283.1 Ų83.169%0.68939%0.394SS*.Hα-helixtrans-62.9-47.7172.1-169.30000111.5A318 I320 L324 K325A318-C322 WeakPolarHBondContact O-CB 3.11Å; A318-C322 PolarHBondContact O-N 3.44Å; I320-C322 PolarHBondContact O-N 2.88Å; C322-L324 VanDerWaalsContact C-N 3.29Å; C322-L324 PolarHBondContact O-N 3.41Å; C322-K325 PolarHBondContact O-N 3.5Å
323R61.4Low56.9Low213 Ų21378.7 Ų78.780%0.80438%0.38SS*.Hα-helixtrans-60.3-35.7177.3-74.7178.5-172.7-140.51.4113.2D319 I320 K325D319-R323 WeakPolarHBondContact O-CG 3.44Å; D319-R323 PolarHBondContact O-N 2.82Å; I320-R323 WeakPolarHBondContact O-CB 3.38Å; I320-R323 PolarHBondContact O-N 3.29Å; R323-K325 VanDerWaalsContact C-N 3.28Å; R323-K325 PolarHBondContact O-N 2.65Å
324L60.1Low56.8Low80 Ų8079 Ų7942%0.41938%0.381SS..THydrogen-bonded Turntrans-83.92-178.7-64.8174.3000113.8L229 I320 S321 C322 Q326L229-L324 HydrophobicContact CB-CD1 4.04Å; L229-L324 HydrophobicContact CD1-CD1 3.88Å; L229-L324 HydrophobicContact CD2-CD1 3.28Å; L229-L324 HydrophobicContact CG-CD1 3.9Å; I320-L324 HydrophobicContact CG2-CD1 3.62Å; I320-L324 HydrophobicContact CG2-CG 4.06Å; I320-L324 WeakPolarHBondContact O-CG 3.32Å; I320-L324 PolarHBondContact O-N 3.46Å; S321-L324 PolarHBondContact O-N 3.22Å; C322-L324 VanDerWaalsContact C-N 3.29Å; C322-L324 PolarHBondContact O-N 3.41Å; L324-Q326 HydrophobicContact CB-CG 4.2Å; L324-Q326 PolarHBondContact O-N 3.39Å
325K59.2Low56.4Low195 Ų19579.4 Ų79.485%0.84838%0.382SS*.THydrogen-bonded Turntrans52.919.5-175.7-61.8-177.4178.9177.90113.9S321 C322 R323 K327S321-K325 PolarHBondContact O-N 3.01Å; C322-K325 PolarHBondContact O-N 3.5Å; R323-K325 VanDerWaalsContact C-N 3.28Å; R323-K325 PolarHBondContact O-N 2.65Å; K325-K327 PolarHBondContact O-N 2.62Å
326Q54.3Low55.6Low53 Ų5377.3 Ų77.325%0.24838%0.383CS..  trans-86.792.7179.5-69.7-1529.200110L232 S321 L324 A328 W329L232-Q326 VanDerWaalsContact CD1-OE1 3.31Å; S321-Q326 PolarHBondContact O-N 2.96Å; L324-Q326 HydrophobicContact CB-CG 4.2Å; L324-Q326 PolarHBondContact O-N 3.39Å; Q326-A328 PolarHBondContact O-N 3.23Å; Q326-A328 VanDerWaalsContact O-N 3.11Å; Q326-W329 PolarHBondContact O-N 3.22Å; Q326-W329 VanDerWaalsContact O-N 3.1Å
327K51.3Low54.6Low187 Ų18776.9 Ų76.981%0.81339%0.385SS*.G310 helixtrans-54.7-28.3174.4-74.5-175.5178178.20112.9K325 W329 S330 S333K325-K327 PolarHBondContact O-N 2.62Å; K327-W329 PolarHBondContact O-N 2.75Å; K327-S330 WeakPolarHBondContact O-CB 3.09Å; K327-S330 PolarHBondContact O-N 3.26Å; K327-S330 VanDerWaalsContact O-N 3.1Å; K327-S330 PolarHBondContact O-OG 2.63Å; K327-S333 PolarHBondContact O-OG 3.34Å
328A49.5Very low54Low55 Ų5576.2 Ų76.246%0.45538%0.382SS..G310 helixtrans-61.5-21.4179.300000113.9Q326 S333Q326-A328 PolarHBondContact O-N 3.23Å; Q326-A328 VanDerWaalsContact O-N 3.11Å; A328-S333 WeakPolarHBondContact O-CB 3.47Å
329W50Low52.9Low12 Ų1275.8 Ų75.85%0.04538%0.381CS..G310 helixtrans-106.917.6178.6-72.779.9000113.1L232 Y240 F247 S321 Q326 K327 F334L232-W329 HydrophobicContact CD1-CZ2 4.44Å; Y240-W329 HydrophobicContact CE2-CZ2 4.37Å; Y240-W329 AromaticContact CE2-NE1 3.84Å; Y240-W329 PolarHBondContact OH-NE1 3.39Å; F247-W329 AromaticContact CD1-CH2 3.63Å; F247-W329 HydrophobicContact CD1-CH2 3.63Å; F247-W329 AromaticContact CD1-CZ3 3.44Å; F247-W329 HydrophobicContact CD1-CZ3 3.44Å; F247-W329 VanDerWaalsContact CD1-CZ3 3.44Å; F247-W329 HydrophobicContact CE1-CE3 4.44Å; F247-W329 HydrophobicContact CE1-CH2 4.07Å; F247-W329 AromaticContact CE1-CZ3 3.41Å; F247-W329 HydrophobicContact CE1-CZ3 3.41Å; F247-W329 VanDerWaalsContact CE1-CZ3 3.41Å; F247-W329 HydrophobicContact CG-CH2 4.14Å; F247-W329 HydrophobicContact CG-CZ3 4.31Å; F247-W329 HydrophobicContact CZ-CZ3 4.2Å; S321-W329 WeakPolarHBondContact CB-O 3.23Å; S321-W329 VanDerWaalsContact OG-CB 3.27Å; S321-W329 WeakPolarHBondContact OG-CB 3.37Å; S321-W329 PolarHBondContact OG-O 2.99Å; Q326-W329 PolarHBondContact O-N 3.22Å; Q326-W329 VanDerWaalsContact O-N 3.1Å; K327-W329 PolarHBondContact O-N 2.75Å; W329-F334 HydrophobicContact CE3-CD2 4.14Å; W329-F334 HydrophobicContact CE3-CE2 4.06Å; W329-F334 HydrophobicContact CH2-CE2 4.21Å; W329-F334 HydrophobicContact CZ3-CD2 4.22Å; W329-F334 AromaticContact CZ3-CE2 3.67Å; W329-F334 HydrophobicContact CZ3-CE2 3.67Å
330S50.7Low51.9Low47 Ų4778.1 Ų78.133%0.32939%0.393SS..SBendtrans-58.8145.9167.982.90000109.5K327 R332 S333 F334K327-S330 WeakPolarHBondContact O-CB 3.09Å; K327-S330 PolarHBondContact O-N 3.26Å; K327-S330 VanDerWaalsContact O-N 3.1Å; K327-S330 PolarHBondContact O-OG 2.63Å; S330-R332 PolarHBondContact O-N 2.93Å; S330-R332 VanDerWaalsContact O-N 3.08Å; S330-S333 WeakPolarHBondContact O-CA 3.19Å; S330-S333 WeakPolarHBondContact O-CB 3.18Å; S330-S333 PolarHBondContact O-N 3.45Å; S330-S333 PolarHBondContact OG-N 3.38Å; S330-S333 PolarHBondContact OG-OG 2.97Å; S330-F334 PolarHBondContact O-N 3.09Å
331M50.4Low50.9Low51 Ų5179.6 Ų79.625%0.25140%0.404SS..Hα-helixtrans-50.7-37174.4-78.8-73.6-99.800111.6K302 M314 A318 S333 F334 Y335K302-M331 HydrophobicContact CD-CE 4.19Å; M314-M331 HydrophobicContact CB-CE 4.04Å; M314-M331 HydrophobicContact CE-CE 3.88Å; M314-M331 HydrophobicContact CE-SD 3.58Å; M314-M331 VanDerWaalsContact CE-SD 3.58Å; A318-M331 HydrophobicContact CB-CG 4.16Å; M331-S333 PolarHBondContact O-N 3.45Å; M331-F334 PolarHBondContact O-N 3.01Å; M331-F334 VanDerWaalsContact O-N 3.13Å; M331-Y335 HydrophobicContact CB-CD2 4.42Å; M331-Y335 HydrophobicContact CB-CE2 4.22Å; M331-Y335 HydrophobicContact CE-CE2 3.46Å; M331-Y335 VanDerWaalsContact CE-CE2 3.46Å; M331-Y335 VanDerWaalsContact CE-OH 3.29Å; M331-Y335 WeakPolarHBondContact CE-OH 3.31Å; M331-Y335 WeakPolarHBondContact O-CD2 3.26Å; M331-Y335 PolarHBondContact O-N 3.18Å; M331-Y335 VanDerWaalsContact O-N 3.16Å; M331-Y335 HydrophobicContact SD-CE2 3.72Å
332R51.2Low49.9Very low227 Ų22779.3 Ų79.386%0.85740%0.402SS*.Hα-helixtrans-60.5-30.2176-73.4-177.6178.9173.6-0.1113.4S330 P336S330-R332 PolarHBondContact O-N 2.93Å; S330-R332 VanDerWaalsContact O-N 3.08Å; R332-P336 WeakPolarHBondContact O-CD 3.24Å; R332-P336 WeakPolarHBondContact O-CG 3.33Å
333S50.4Low49.5Very low41 Ų4175.5 Ų75.529%0.28737%0.374SS..Hα-helixtrans-81.1-26.7177.6-51.10000112.5K327 A328 S330 M331 L337K327-S333 PolarHBondContact O-OG 3.34Å; A328-S333 WeakPolarHBondContact O-CB 3.47Å; S330-S333 WeakPolarHBondContact O-CA 3.19Å; S330-S333 WeakPolarHBondContact O-CB 3.18Å; S330-S333 PolarHBondContact O-N 3.45Å; S330-S333 PolarHBondContact OG-N 3.38Å; S330-S333 PolarHBondContact OG-OG 2.97Å; M331-S333 PolarHBondContact O-N 3.45Å; S333-L337 VanDerWaalsContact O-CD1 3.28Å; S333-L337 WeakPolarHBondContact O-CD1 3.32Å; S333-L337 WeakPolarHBondContact O-CG 3.43Å
334F51.7Low48.9Very low10 Ų1066.8 Ų66.84%0.04435%0.345CS..Hα-helixtrans-87-39.1-174.2-145.7-86.1000113.3F247 V248 I251 W329 S330 M331 L337 L338F247-F334 HydrophobicContact CD1-CE1 4.36Å; F247-F334 AromaticContact CD1-CE2 3.56Å; F247-F334 HydrophobicContact CD1-CE2 3.56Å; F247-F334 AromaticContact CD1-CZ 3.3Å; F247-F334 HydrophobicContact CD1-CZ 3.3Å; F247-F334 HydrophobicContact CE1-CE1 4.39Å; F247-F334 AromaticContact CE1-CE2 3.79Å; F247-F334 HydrophobicContact CE1-CE2 3.79Å; F247-F334 AromaticContact CE1-CZ 3.61Å; F247-F334 HydrophobicContact CE1-CZ 3.61Å; F247-F334 HydrophobicContact CG-CZ 4.48Å; V248-F334 HydrophobicContact CB-CZ 4.49Å; V248-F334 HydrophobicContact CG2-CE1 4.05Å; V248-F334 HydrophobicContact CG2-CE2 4.25Å; V248-F334 HydrophobicContact CG2-CZ 3.59Å; I251-F334 HydrophobicContact CB-CE1 4.17Å; I251-F334 HydrophobicContact CD1-CD1 4.3Å; I251-F334 HydrophobicContact CD1-CE1 3.58Å; I251-F334 HydrophobicContact CD1-CZ 3.88Å; I251-F334 HydrophobicContact CG1-CE1 4.33Å; I251-F334 HydrophobicContact CG2-CE1 4.2Å; W329-F334 HydrophobicContact CE3-CD2 4.14Å; W329-F334 HydrophobicContact CE3-CE2 4.06Å; W329-F334 HydrophobicContact CH2-CE2 4.21Å; W329-F334 HydrophobicContact CZ3-CD2 4.22Å; W329-F334 AromaticContact CZ3-CE2 3.67Å; W329-F334 HydrophobicContact CZ3-CE2 3.67Å; S330-F334 PolarHBondContact O-N 3.09Å; M331-F334 PolarHBondContact O-N 3.01Å; M331-F334 VanDerWaalsContact O-N 3.13Å; F334-L337 WeakPolarHBondContact O-CB 3.22Å; F334-L337 PolarHBondContact O-N 3.42Å; F334-L338 HydrophobicContact CD1-CD1 4.04Å; F334-L338 HydrophobicContact CD1-CD2 4.37Å; F334-L338 HydrophobicContact CD1-CG 3.97Å; F334-L338 HydrophobicContact CE1-CD1 4.44Å; F334-L338 HydrophobicContact CE1-CD2 4.01Å; F334-L338 HydrophobicContact CE1-CG 4.11Å; F334-L338 PolarHBondContact O-N 3.35Å; F334-L338 VanDerWaalsContact O-N 3.15Å
335Y51.6Low48.6Very low18 Ų1863 Ų637%0.07133%0.326CS..Hα-helixtrans-60.2-41.6-178.5-83.6-72.1000115M255 P298 K302 M331 L337 L338 G339 F343M255-Y335 HydrophobicContact CE-CE1 4.45Å; P298-Y335 HydrophobicContact CB-CD1 3.82Å; P298-Y335 HydrophobicContact CB-CE1 4.19Å; P298-Y335 HydrophobicContact CB-CG 4.09Å; K302-Y335 HydrophobicContact CD-CE2 4.05Å; K302-Y335 WeakPolarHBondContact CD-OH 3.49Å; K302-Y335 WeakPolarHBondContact CE-OH 3.31Å; K302-Y335 HydrophobicContact CG-CE1 4.39Å; K302-Y335 WeakPolarHBondContact CG-OH 3.45Å; M331-Y335 HydrophobicContact CB-CD2 4.42Å; M331-Y335 HydrophobicContact CB-CE2 4.22Å; M331-Y335 HydrophobicContact CE-CE2 3.46Å; M331-Y335 VanDerWaalsContact CE-CE2 3.46Å; M331-Y335 VanDerWaalsContact CE-OH 3.29Å; M331-Y335 WeakPolarHBondContact CE-OH 3.31Å; M331-Y335 WeakPolarHBondContact O-CD2 3.26Å; M331-Y335 PolarHBondContact O-N 3.18Å; M331-Y335 VanDerWaalsContact O-N 3.16Å; M331-Y335 HydrophobicContact SD-CE2 3.72Å; Y335-L337 PolarHBondContact O-N 3.41Å; Y335-L338 HydrophobicContact CD1-CD1 4.12Å; Y335-L338 HydrophobicContact CE1-CD1 4.2Å; Y335-L338 PolarHBondContact O-N 3.13Å; Y335-G339 PolarHBondContact O-N 3.02Å; Y335-F343 HydrophobicContact CD1-CZ 4.3Å
336P47.9Very low48.6Very low97 Ų9753.9 Ų53.963%0.6329%0.286SS*.Hα-helixtrans-60.7-30.1174.7-23.634.1000112.8R332 G339R332-P336 WeakPolarHBondContact O-CD 3.24Å; R332-P336 WeakPolarHBondContact O-CG 3.33Å; P336-G339 PolarHBondContact O-N 3.33Å
337L41.6Very low49.1Very low59 Ų5954.6 Ų54.631%0.30929%0.291SS..Hα-helixtrans-77.9-27.3179.1-57.7163.6000113V248 S333 F334 Y335 G339V248-L337 WeakPolarHBondContact CG1-O 3.39Å; V248-L337 HydrophobicContact CG2-CB 4.04Å; V248-L337 HydrophobicContact CG2-CD1 4.43Å; S333-L337 VanDerWaalsContact O-CD1 3.28Å; S333-L337 WeakPolarHBondContact O-CD1 3.32Å; S333-L337 WeakPolarHBondContact O-CG 3.43Å; F334-L337 WeakPolarHBondContact O-CB 3.22Å; F334-L337 PolarHBondContact O-N 3.42Å; Y335-L337 PolarHBondContact O-N 3.41Å; L337-G339 PolarHBondContact O-N 2.85Å
338L45.4Very low50.1Low0 Ų046.9 Ų46.90%026%0.259CS..Hα-helixtrans-66-24.7171.8-70.9172.7000111.2V248 I251 M255 F334 Y335 T341 A342V248-L338 HydrophobicContact CG1-CD2 4.47Å; I251-L338 HydrophobicContact CB-CD2 4.04Å; I251-L338 HydrophobicContact CG2-CD1 4Å; I251-L338 HydrophobicContact CG2-CD2 3.47Å; I251-L338 VanDerWaalsContact CG2-CD2 3.47Å; I251-L338 HydrophobicContact CG2-CG 4.35Å; M255-L338 HydrophobicContact CE-CD1 4.31Å; F334-L338 HydrophobicContact CD1-CD1 4.04Å; F334-L338 HydrophobicContact CD1-CD2 4.37Å; F334-L338 HydrophobicContact CD1-CG 3.97Å; F334-L338 HydrophobicContact CE1-CD1 4.44Å; F334-L338 HydrophobicContact CE1-CD2 4.01Å; F334-L338 HydrophobicContact CE1-CG 4.11Å; F334-L338 PolarHBondContact O-N 3.35Å; F334-L338 VanDerWaalsContact O-N 3.15Å; Y335-L338 HydrophobicContact CD1-CD1 4.12Å; Y335-L338 HydrophobicContact CE1-CD1 4.2Å; Y335-L338 PolarHBondContact O-N 3.13Å; L338-T341 PolarHBondContact O-OG1 3.34Å; L338-A342 HydrophobicContact CB-CB 3.86Å; L338-A342 HydrophobicContact CD2-CB 4.49Å; L338-A342 VanDerWaalsContact O-CB 3.3Å; L338-A342 WeakPolarHBondContact O-CB 3.31Å; L338-A342 PolarHBondContact O-N 2.91Å
339G40.1Very low51.2Low24 Ų2448 Ų4825%0.24726%0.255CS..Hα-helixtrans55.6-17716700000114.3Y335 P336 L337 T341 A342 F343Y335-G339 PolarHBondContact O-N 3.02Å; P336-G339 PolarHBondContact O-N 3.33Å; L337-G339 PolarHBondContact O-N 2.85Å; G339-T341 PolarHBondContact O-N 3.04Å; G339-A342 PolarHBondContact O-N 3.11Å; G339-F343 WeakPolarHBondContact O-CD2 3.3Å
340D42.5Very low52.3Low129 Ų12948.5 Ų48.569%0.6926%0.259SS*.Hα-helixtrans-55.9-20168.6-69-32.8000112.2F343 S344D340-F343 CarbonylContact O-C 3.47Å; D340-F343 PolarHBondContact O-N 3.41Å; D340-S344 WeakPolarHBondContact O-CA 3.34Å; D340-S344 PolarHBondContact O-N 3.43Å
341T38.7Very low53.3Low65 Ų6546.5 Ų46.540%0.39925%0.245SC..Hα-helixtrans-62.7-44178.141.70000113.5L338 G339 S344L338-T341 PolarHBondContact O-OG1 3.34Å; G339-T341 PolarHBondContact O-N 3.04Å; T341-S344 WeakPolarHBondContact O-CB 3.23Å; T341-S344 PolarHBondContact O-OG 3.01Å
342A38.5Very low54.3Low1 Ų147 Ų471%0.00825%0.246CC..Hα-helixtrans-68.6-40.5175.700000110.1M255 F257 L338 G339 S344M255-A342 HydrophobicContact CB-CB 4.5Å; F257-A342 WeakPolarHBondContact CD2-O 3.16Å; F257-A342 HydrophobicContact CE2-CB 4.46Å; L338-A342 HydrophobicContact CB-CB 3.86Å; L338-A342 HydrophobicContact CD2-CB 4.49Å; L338-A342 VanDerWaalsContact O-CB 3.3Å; L338-A342 WeakPolarHBondContact O-CB 3.31Å; L338-A342 PolarHBondContact O-N 2.91Å; G339-A342 PolarHBondContact O-N 3.11Å; A342-S344 VanDerWaalsContact C-N 3.27Å; A342-S344 PolarHBondContact O-N 3.1Å
343F52.5Low55Low22 Ų2238.6 Ų38.610%0.09622%0.224CC..THydrogen-bonded Turntrans-87.510.1-174.9-52.9-68.2000114.4F257 L301 Y335 G339 D340 S345 L346F257-F343 HydrophobicContact CD2-CD1 4.07Å; F257-F343 HydrophobicContact CE1-CD1 4.03Å; F257-F343 HydrophobicContact CE1-CE1 4.22Å; F257-F343 AromaticContact CE2-CD1 3.36Å; F257-F343 HydrophobicContact CE2-CD1 3.36Å; F257-F343 AromaticContact CE2-CE1 3.55Å; F257-F343 HydrophobicContact CE2-CE1 3.55Å; F257-F343 HydrophobicContact CE2-CG 4.37Å; F257-F343 AromaticContact CZ-CD1 3.38Å; F257-F343 HydrophobicContact CZ-CD1 3.38Å; F257-F343 AromaticContact CZ-CE1 3.31Å; F257-F343 HydrophobicContact CZ-CE1 3.31Å; L301-F343 HydrophobicContact CB-CE1 4.44Å; L301-F343 HydrophobicContact CD1-CD1 3.31Å; L301-F343 HydrophobicContact CD1-CE1 3.34Å; L301-F343 HydrophobicContact CD1-CG 4.24Å; L301-F343 HydrophobicContact CD1-CZ 4.33Å; Y335-F343 HydrophobicContact CD1-CZ 4.3Å; G339-F343 WeakPolarHBondContact O-CD2 3.3Å; D340-F343 CarbonylContact O-C 3.47Å; D340-F343 PolarHBondContact O-N 3.41Å; F343-S345 PolarHBondContact O-N 2.96Å; F343-L346 PolarHBondContact O-N 3.27Å
344S48.5Very low55.8Low29 Ų2937.7 Ų37.720%0.20322%0.216CC..THydrogen-bonded Turntrans-57.9-16.2-173.257.50000114.6S189 R259 D340 T341 A342 L347S189-S344 VanDerWaalsContact CB-OG 3.31Å; S189-S344 WeakPolarHBondContact CB-OG 3.38Å; S189-S344 PolarHBondContact OG-OG 3.04Å; R259-S344 PolarHBondContact NH1-O 3.3Å; D340-S344 WeakPolarHBondContact O-CA 3.34Å; D340-S344 PolarHBondContact O-N 3.43Å; T341-S344 WeakPolarHBondContact O-CB 3.23Å; T341-S344 PolarHBondContact O-OG 3.01Å; A342-S344 VanDerWaalsContact C-N 3.27Å; A342-S344 PolarHBondContact O-N 3.1Å; S344-L347 WeakPolarHBondContact O-CD2 3.29Å; S344-L347 VanDerWaalsContact O-CG 3.26Å; S344-L347 WeakPolarHBondContact O-CG 3.43Å
345S54Low56.9Low1 Ų138.4 Ų38.41%0.00722%0.22CC..THydrogen-bonded Turntrans-76-26.5177.591.50000114.5S189 F257 Q258 R259 F343S189-S345 WeakPolarHBondContact OG-CB 3.05Å; F257-S345 VanDerWaalsContact C-OG 3.29Å; F257-S345 WeakPolarHBondContact CB-OG 3.43Å; F257-S345 WeakPolarHBondContact O-CB 3.33Å; Q258-S345 VanDerWaalsContact O-CB 3.25Å; Q258-S345 WeakPolarHBondContact O-CB 3.35Å; Q258-S345 PolarHBondContact O-OG 2.93Å; R259-S345 WeakPolarHBondContact CD-O 3.43Å; R259-S345 PolarHBondContact NE-O 3.27Å; F343-S345 PolarHBondContact O-N 2.96Å
346L59.9Low58.7Low4 Ų440.2 Ų40.22%0.02123%0.231CC..SBendtrans-107.463.7173.2-66.6175.2000107.2I260 I278 M286 L288 W296 L301 F343 L348I260-L346 HydrophobicContact CB-CD2 4.06Å; I260-L346 HydrophobicContact CG2-CD2 4.5Å; I260-L346 WeakPolarHBondContact O-CD2 3.31Å; I278-L346 HydrophobicContact CD1-CD2 3.92Å; M286-L346 HydrophobicContact CE-CD2 4.45Å; L288-L346 HydrophobicContact CD1-CD1 4.32Å; W296-L346 HydrophobicContact CZ2-CB 3.76Å; W296-L346 PolarHBondContact NE1-O 3.45Å; L301-L346 HydrophobicContact CD2-CD1 4.09Å; F343-L346 PolarHBondContact O-N 3.27Å; L346-L348 PolarHBondContact O-N 3.26Å
347L65.6Low61Low68 Ų6837.8 Ų37.836%0.35622%0.215SC..  trans-54.3133.1177.3-65.1178.2000108.9P277 I278 S344P277-L347 CarbonylContact C-O 3.58Å; P277-L347 VanDerWaalsContact CA-O 3.22Å; P277-L347 WeakPolarHBondContact CA-O 3.37Å; P277-L347 HydrophobicContact CB-CB 3.73Å; P277-L347 WeakPolarHBondContact CB-O 3.36Å; I278-L347 PolarHBondContact N-O 3.24Å; S344-L347 WeakPolarHBondContact O-CD2 3.29Å; S344-L347 VanDerWaalsContact O-CG 3.26Å; S344-L347 WeakPolarHBondContact O-CG 3.43Å
348L71.2Confident63.6Low25 Ų2535.3 Ų35.313%0.13120%0.202CC..EExtended strand (participates in β ladder)trans-127.4132.3-176-177.175.5000108.8I278 F280 L289 H294 W296 L346I278-L348 HydrophobicContact CB-CD1 4.45Å; I278-L348 HydrophobicContact CG2-CD1 4.25Å; I278-L348 VanDerWaalsContact O-CA 3.3Å; I278-L348 WeakPolarHBondContact O-CA 3.45Å; F280-L348 HydrophobicContact CD1-CD1 3.81Å; F280-L348 HydrophobicContact CD1-CD2 3.86Å; F280-L348 HydrophobicContact CD1-CG 3.57Å; F280-L348 HydrophobicContact CE1-CD1 4.38Å; F280-L348 HydrophobicContact CE1-CD2 3.8Å; F280-L348 HydrophobicContact CE1-CG 3.63Å; L289-L348 HydrophobicContact CD1-CD1 4.39Å; L289-L348 HydrophobicContact CD1-CD2 3.34Å; L289-L348 HydrophobicContact CD1-CG 4.49Å; H294-L348 VanDerWaalsContact O-CD2 3.29Å; H294-L348 WeakPolarHBondContact O-CD2 3.24Å; W296-L348 HydrophobicContact CD2-CD2 4.45Å; W296-L348 HydrophobicContact CH2-CD1 3.75Å; W296-L348 HydrophobicContact CZ2-CB 3.79Å; W296-L348 HydrophobicContact CZ2-CD1 3.66Å; W296-L348 HydrophobicContact CZ2-CD2 4.37Å; W296-L348 HydrophobicContact CZ2-CG 4.11Å; W296-L348 HydrophobicContact CZ3-CD1 4.48Å; L346-L348 PolarHBondContact O-N 3.26Å
349Q73.8Confident66.1Low79 Ų7935.8 Ų35.837%0.36921%0.206SC..EExtended strand (participates in β ladder)trans-145.1154.6-177.3-71.1-64.2-3900111.3P277 I278 D279 F280 A353P277-Q349 HydrophobicContact CB-CB 3.93Å; P277-Q349 HydrophobicContact CB-CG 3.59Å; P277-Q349 HydrophobicContact CG-CB 3.9Å; P277-Q349 HydrophobicContact CG-CG 3.64Å; I278-Q349 PolarHBondContact O-N 2.95Å; D279-Q349 CarbonylContact C-O 3.6Å; D279-Q349 WeakPolarHBondContact CA-O 3.5Å; F280-Q349 WeakPolarHBondContact CD1-O 3.43Å; F280-Q349 VanDerWaalsContact CE1-C 3.45Å; F280-Q349 PolarHBondContact N-O 3.47Å; F280-Q349 VanDerWaalsContact N-O 3.07Å; Q349-A353 HydrophobicContact CB-CB 4.24Å; Q349-A353 VanDerWaalsContact OE1-CB 3.23Å
350P73Confident68.9Low21 Ų2138.9 Ų38.914%0.13622%0.221CC..  trans-67.3159.6164.729.1-31.9000110.2F280 F352 A353F280-P350 HydrophobicContact CD2-CB 3.81Å; F280-P350 HydrophobicContact CE2-CB 3.5Å; F280-P350 HydrophobicContact CE2-CG 4.05Å; F280-P350 HydrophobicContact CZ-CB 4.12Å; F280-P350 HydrophobicContact CZ-CG 4.24Å; P350-F352 HydrophobicContact CB-CD1 4.06Å; P350-F352 HydrophobicContact CB-CE1 3.72Å; P350-F352 HydrophobicContact CB-CZ 4.12Å; P350-F352 HydrophobicContact CG-CE1 4.15Å; P350-F352 HydrophobicContact CG-CE2 4.37Å; P350-F352 HydrophobicContact CG-CZ 4.06Å; P350-F352 PolarHBondContact O-N 2.83Å; P350-A353 HydrophobicContact CG-CB 3.58Å; P350-A353 PolarHBondContact O-N 3.27Å; P350-A353 VanDerWaalsContact O-N 3.13Å
351F71.7Confident71.5Confident6 Ų632.9 Ų32.93%0.02619%0.189CC..THydrogen-bonded Turntrans-59.2-19.6-171.991.6-89.8000114.8V375 V376 P441 I442 R597 H600 M604 F610F351-V375 WeakPolarHBondContact O-CG1 3.25Å; F351-V376 VanDerWaalsContact CA-CG1 3.46Å; F351-V376 HydrophobicContact CB-CG1 4.45Å; F351-V376 WeakPolarHBondContact O-CG1 3.4Å; F351-P441 WeakPolarHBondContact CB-O 3.4Å; F351-P441 WeakPolarHBondContact CD1-O 3.43Å; F351-P441 WeakPolarHBondContact CD2-O 3.33Å; F351-P441 WeakPolarHBondContact CG-O 3.5Å; F351-I442 VanDerWaalsContact CE1-CA 3.42Å; F351-I442 WeakPolarHBondContact CE1-O 3.27Å; F351-R597 PolarHBondContact O-NH2 3.28Å; F351-H600 AromaticContact CE2-ND1 3.61Å; F351-H600 AromaticContact CZ-CE1 3.64Å; F351-H600 AromaticContact CZ-ND1 3.51Å; F351-M604 HydrophobicContact CE2-CE 3.7Å; F351-M604 HydrophobicContact CZ-CE 3.51Å; F351-M604 HydrophobicContact CZ-SD 4.22Å; F351-F610 HydrophobicContact CE1-CE2 4.43Å
352F70.3Confident74.4Confident62 Ų6229.8 Ų29.827%0.27217%0.17SC..THydrogen-bonded Turntrans-106.4-9.4-176.360.5-92.3000114.1P350 Q355 P444 M604P350-F352 HydrophobicContact CB-CD1 4.06Å; P350-F352 HydrophobicContact CB-CE1 3.72Å; P350-F352 HydrophobicContact CB-CZ 4.12Å; P350-F352 HydrophobicContact CG-CE1 4.15Å; P350-F352 HydrophobicContact CG-CE2 4.37Å; P350-F352 HydrophobicContact CG-CZ 4.06Å; P350-F352 PolarHBondContact O-N 2.83Å; F352-Q355 WeakPolarHBondContact O-CG 3.4Å; F352-Q355 PolarHBondContact O-NE2 3.42Å; F352-P444 HydrophobicContact CE1-CG 4.49Å; F352-M604 HydrophobicContact CB-CE 3.41Å; F352-M604 VanDerWaalsContact CB-CE 3.41Å; F352-M604 HydrophobicContact CB-SD 4.26Å; F352-M604 HydrophobicContact CG-CE 4.22Å; F352-M604 HydrophobicContact CG-SD 4.48Å
353A65.3Low77.2Confident49 Ų4931.7 Ų31.741%0.40518%0.181SC..THydrogen-bonded Turntrans-75.1-30-171.600000113.6Q349 P350Q349-A353 HydrophobicContact CB-CB 4.24Å; Q349-A353 VanDerWaalsContact OE1-CB 3.23Å; P350-A353 HydrophobicContact CG-CB 3.58Å; P350-A353 PolarHBondContact O-N 3.27Å; P350-A353 VanDerWaalsContact O-N 3.13Å
354L69Low79.4Confident22 Ų2238.2 Ų38.212%0.11521%0.21CC..  trans-96.3110.6176.4-17377000109.7L272 A276 P277 D356 V375 V376L272-L354 HydrophobicContact CD1-CD2 3.62Å; A276-L354 HydrophobicContact CB-CD2 4.46Å; P277-L354 VanDerWaalsContact CD-CD2 3.45Å; P277-L354 HydrophobicContact CG-CB 4.25Å; P277-L354 HydrophobicContact CG-CD2 3.86Å; P277-L354 HydrophobicContact CG-CG 4.47Å; L354-D356 HydrophobicContact CD1-CB 4.46Å; L354-V375 WeakPolarHBondContact O-CA 3.49Å; L354-V376 HydrophobicContact CB-CB 4.21Å; L354-V376 HydrophobicContact CD2-CB 4.29Å
355Q75Confident81.7Confident26 Ų2639.7 Ų39.712%0.12121%0.211CC..EExtended strand (participates in β ladder)trans-135.866.1175.7-56.5-172.139.100109.3F352 R373 A601 L605F352-Q355 WeakPolarHBondContact O-CG 3.4Å; F352-Q355 PolarHBondContact O-NE2 3.42Å; Q355-R373 WeakPolarHBondContact O-CD 3.41Å; Q355-R373 PolarHBondContact O-NH1 3.39Å; Q355-A601 HydrophobicContact CG-CB 4.31Å; Q355-A601 PolarHBondContact NE2-O 2.77Å; Q355-A601 VanDerWaalsContact NE2-O 3.16Å; Q355-A601 PolarHBondContact OE1-O 3.43Å; Q355-A601 VanDerWaalsContact OE1-O 3.08Å; Q355-L605 VanDerWaalsContact OE1-CB 3.28Å
356D88.9Confident83.8Confident56 Ų5640 Ų4030%0.29921%0.212SC..EExtended strand (participates in β ladder)trans-98.4162.6-175.6-147-2.6000111.7L272 R274 L354 R373 V374L272-D356 HydrophobicContact CD2-CB 3.87Å; R274-D356 IonicContact CZ-OD2 3.32Å; R274-D356 VanDerWaalsContact CZ-OD2 3.32Å; R274-D356 IonicContact NE-OD2 3.24Å; R274-D356 PolarHBondContact NE-OD2 3.41Å; R274-D356 IonicContact NH2-OD2 3.69Å; R274-D356 PolarHBondContact NH2-OD2 3.14Å; L354-D356 HydrophobicContact CD1-CB 4.46Å; D356-R373 CarbonylContact O-C 3.53Å; D356-R373 WeakPolarHBondContact O-CA 3.4Å; D356-V374 PolarHBondContact N-O 2.94Å; D356-V374 PolarHBondContact O-N 3.25Å
357C94.9Very high85.6Confident46 Ų4641.5 Ų41.531%0.31123%0.228SC..EExtended strand (participates in β ladder)trans-70.6145.9179-69.90000111.6S370 C372C357-S370 PolarHBondContact SG-O 3.49Å; C357-C372 WeakPolarHBondContact CA-O 3.4Å
358I97.3Very high87.2Confident6 Ų638.5 Ų38.53%0.03121%0.212CC..PPolyproline II helixtrans-58.5146.2172.6-161173.9000111.1L88 F271 F362 V363 F368 S369 C372 V374L88-I358 HydrophobicContact CD2-CD1 3.73Å; F271-I358 HydrophobicContact CD1-CD1 4.21Å; I358-F362 HydrophobicContact CD1-CB 3.59Å; I358-F362 HydrophobicContact CD1-CD2 4.22Å; I358-F362 HydrophobicContact CD1-CG 3.96Å; I358-F362 HydrophobicContact CG1-CB 3.97Å; I358-F362 HydrophobicContact CG1-CD2 3.91Å; I358-F362 HydrophobicContact CG1-CG 4.16Å; I358-V363 HydrophobicContact CG2-CG2 3.96Å; I358-F368 HydrophobicContact CD1-CB 4.11Å; I358-F368 HydrophobicContact CD1-CD1 3.95Å; I358-F368 HydrophobicContact CD1-CD2 4.13Å; I358-F368 HydrophobicContact CD1-CE1 4.4Å; I358-F368 HydrophobicContact CD1-CG 3.79Å; I358-F368 HydrophobicContact CG2-CB 4.34Å; I358-S369 WeakPolarHBondContact CG2-O 3.4Å; I358-C372 HydrophobicContact CB-CB 4.34Å; I358-C372 HydrophobicContact CG2-CB 3.89Å; I358-C372 PolarHBondContact N-O 3.27Å; I358-V374 HydrophobicContact CB-CG2 3.9Å; I358-V374 HydrophobicContact CG1-CG2 4.02Å
359S97.7Very high88.4Confident11 Ų1138.9 Ų38.98%0.07722%0.217CC..PPolyproline II helixtrans-56.9140.1178.8169.60000111.6F271 Y361 F362F271-S359 WeakPolarHBondContact O-CB 3.11Å; F271-S359 PolarHBondContact O-N 3Å; S359-Y361 PolarHBondContact O-N 2.77Å; S359-Y361 WeakPolarHBondContact OG-CB 3.46Å; S359-Y361 PolarHBondContact OG-N 3.36Å; S359-F362 PolarHBondContact O-N 3.35Å
360P97.9Very high89.5Confident88 Ų8838.9 Ų38.957%0.57123%0.226SC*.Hα-helixtrans-53.2-22.1172.8-26.834.9000114.1F362 V363 K364P360-F362 PolarHBondContact O-N 2.9Å; P360-V363 PolarHBondContact O-N 2.93Å; P360-K364 WeakPolarHBondContact O-CG 3.33Å; P360-K364 PolarHBondContact O-N 2.85Å
361Y98.6Very high90.5Very high3 Ų345.7 Ų45.71%0.01225%0.254CS..Hα-helixtrans-53.1-50.7171.6177.4-97.9000111.8L111 N112 F115 L117 S359 K364 R365 Y366L111-Y361 HydrophobicContact CB-CD2 3.81Å; L111-Y361 HydrophobicContact CB-CG 4.08Å; L111-Y361 HydrophobicContact CD1-CG 4.43Å; N112-Y361 WeakPolarHBondContact O-CE2 3.29Å; F115-Y361 WeakPolarHBondContact O-CE2 3.48Å; F115-Y361 PolarHBondContact O-OH 3.33Å; L117-Y361 HydrophobicContact CD1-CE1 4.16Å; L117-Y361 HydrophobicContact CD2-CD1 3.86Å; L117-Y361 HydrophobicContact CD2-CE1 3.44Å; L117-Y361 VanDerWaalsContact CD2-CE1 3.44Å; L117-Y361 HydrophobicContact CD2-CE2 4.29Å; L117-Y361 HydrophobicContact CD2-CG 4.44Å; L117-Y361 HydrophobicContact CG-CD1 4.42Å; L117-Y361 HydrophobicContact CG-CE1 3.58Å; L117-Y361 PolarHBondContact N-OH 2.92Å; S359-Y361 PolarHBondContact O-N 2.77Å; S359-Y361 WeakPolarHBondContact OG-CB 3.46Å; S359-Y361 PolarHBondContact OG-N 3.36Å; Y361-K364 PolarHBondContact O-N 3.37Å; Y361-R365 WeakPolarHBondContact O-CB 3.49Å; Y361-R365 PolarHBondContact O-N 3.14Å; Y361-R365 WeakPolarHBondContact OH-CD 3.49Å; Y361-R365 PolarHBondContact OH-NE 3.01Å; Y361-Y366 HydrophobicContact CE1-CE2 4.04Å
362F98.5Very high91.7Very high0 Ų045.4 Ų45.40%025%0.252CS..Hα-helixtrans-75.4-30.7-177-59.7-86.8000112.5L72 L117 L270 F271 I358 S359 P360 Y366 G367 F368L72-F362 HydrophobicContact CD1-CD1 3.96Å; L72-F362 HydrophobicContact CD1-CE1 3.63Å; L117-F362 HydrophobicContact CD1-CE1 4.2Å; L117-F362 HydrophobicContact CD1-CZ 3.99Å; L270-F362 WeakPolarHBondContact O-CE2 3.38Å; L270-F362 WeakPolarHBondContact O-CZ 3.14Å; F271-F362 HydrophobicContact CD1-CD1 4.28Å; F271-F362 HydrophobicContact CD1-CD2 4.46Å; F271-F362 HydrophobicContact CD1-CE1 4.04Å; F271-F362 HydrophobicContact CD1-CE2 4.26Å; F271-F362 HydrophobicContact CD1-CG 4.49Å; F271-F362 HydrophobicContact CD1-CZ 4.03Å; F271-F362 HydrophobicContact CE1-CD1 4.35Å; F271-F362 HydrophobicContact CE1-CE1 4.11Å; F271-F362 HydrophobicContact CE1-CZ 4.49Å; I358-F362 HydrophobicContact CD1-CB 3.59Å; I358-F362 HydrophobicContact CD1-CD2 4.22Å; I358-F362 HydrophobicContact CD1-CG 3.96Å; I358-F362 HydrophobicContact CG1-CB 3.97Å; I358-F362 HydrophobicContact CG1-CD2 3.91Å; I358-F362 HydrophobicContact CG1-CG 4.16Å; S359-F362 PolarHBondContact O-N 3.35Å; P360-F362 PolarHBondContact O-N 2.9Å; F362-Y366 HydrophobicContact CB-CD2 4.48Å; F362-Y366 AromaticContact CD1-CD2 3.76Å; F362-Y366 HydrophobicContact CD1-CD2 3.76Å; F362-Y366 HydrophobicContact CD1-CE2 4.09Å; F362-Y366 HydrophobicContact CE1-CE2 4.43Å; F362-Y366 CarbonylContact O-C 3.53Å; F362-Y366 WeakPolarHBondContact O-CA 3.31Å; F362-Y366 WeakPolarHBondContact O-CB 3.31Å; F362-Y366 PolarHBondContact O-N 2.99Å; F362-G367 PolarHBondContact O-N 3.1Å; F362-F368 HydrophobicContact CB-CD2 3.9Å; F362-F368 HydrophobicContact CB-CE2 4.48Å
363V98.2Very high93Very high41 Ų4146.1 Ų46.125%0.24825%0.253CS..Hα-helixtrans-58.9-53.9171.91770000109.9I358 P360 G367 F368I358-V363 HydrophobicContact CG2-CG2 3.96Å; P360-V363 PolarHBondContact O-N 2.93Å; V363-G367 VanDerWaalsContact O-CA 3.28Å; V363-G367 WeakPolarHBondContact O-CA 3.39Å; V363-G367 PolarHBondContact O-N 3.46Å; V363-F368 WeakPolarHBondContact CA-O 3.39Å; V363-F368 WeakPolarHBondContact CG1-O 3.49Å
364K98Very high94.4Very high160 Ų16043.8 Ų43.870%0.69623%0.234SC*.Hα-helixtrans-73.3-39.1-175.9-68.6177.7-178.8178.30113.4P360 Y361P360-K364 WeakPolarHBondContact O-CG 3.33Å; P360-K364 PolarHBondContact O-N 2.85Å; Y361-K364 PolarHBondContact O-N 3.37Å
365R97.7Very high95.5Very high59 Ų5942.8 Ų42.822%0.22323%0.228CC..Hα-helixtrans-83.9-39.5-174.2-171.9173.2179.483.60.9113.3K76 S113 Y361K76-R365 WeakPolarHBondContact CE-O 3.47Å; K76-R365 PolarHBondContact NZ-O 2.82Å; S113-R365 PolarHBondContact O-NH1 2.76Å; Y361-R365 WeakPolarHBondContact O-CB 3.49Å; Y361-R365 PolarHBondContact O-N 3.14Å; Y361-R365 WeakPolarHBondContact OH-CD 3.49Å; Y361-R365 PolarHBondContact OH-NE 3.01Å
366Y97.9Very high96.2Very high8 Ų841.5 Ų41.53%0.03122%0.223CC..Hα-helixtrans-115.6-12.6-170.8-63.8-75.1000113.9L72 D73 K76 L82 Y361 F362L72-Y366 HydrophobicContact CB-CD1 3.76Å; L72-Y366 HydrophobicContact CB-CD2 4.46Å; L72-Y366 HydrophobicContact CB-CE1 3.39Å; L72-Y366 HydrophobicContact CB-CE2 4.15Å; L72-Y366 HydrophobicContact CB-CG 4.29Å; L72-Y366 HydrophobicContact CD1-CD2 4.26Å; L72-Y366 HydrophobicContact CD1-CE2 3.82Å; D73-Y366 VanDerWaalsContact OD1-CE1 3.32Å; D73-Y366 WeakPolarHBondContact OD1-CE1 3.34Å; K76-Y366 HydrophobicContact CB-CD1 4.11Å; K76-Y366 HydrophobicContact CD-CD1 4Å; L82-Y366 WeakPolarHBondContact CD1-O 3.4Å; Y361-Y366 HydrophobicContact CE1-CE2 4.04Å; F362-Y366 HydrophobicContact CB-CD2 4.48Å; F362-Y366 AromaticContact CD1-CD2 3.76Å; F362-Y366 HydrophobicContact CD1-CD2 3.76Å; F362-Y366 HydrophobicContact CD1-CE2 4.09Å; F362-Y366 HydrophobicContact CE1-CE2 4.43Å; F362-Y366 CarbonylContact O-C 3.53Å; F362-Y366 WeakPolarHBondContact O-CA 3.31Å; F362-Y366 WeakPolarHBondContact O-CB 3.31Å; F362-Y366 PolarHBondContact O-N 2.99Å
367G97.4Very high96.4Very high35 Ų3538.9 Ų38.936%0.36121%0.208SC..  trans87.218.5175.400000114.9L82 S83 F362 V363L82-G367 CarbonylContact C-O 3.51Å; S83-G367 VanDerWaalsContact CA-O 3.32Å; S83-G367 WeakPolarHBondContact CA-O 3.39Å; S83-G367 PolarHBondContact N-O 3.38Å; F362-G367 PolarHBondContact O-N 3.1Å; V363-G367 VanDerWaalsContact O-CA 3.28Å; V363-G367 WeakPolarHBondContact O-CA 3.39Å; V363-G367 PolarHBondContact O-N 3.46Å
368F98.1Very high96.2Very high5 Ų536.7 Ų36.72%0.02219%0.194CC..  trans-63.1152.7170.8-75-92.4000111.5L9 L72 L82 V85 L88 I358 F362 V363L9-F368 HydrophobicContact CD2-CE1 4.03Å; L9-F368 HydrophobicContact CD2-CZ 3.93Å; L72-F368 HydrophobicContact CD2-CE2 4.12Å; L72-F368 HydrophobicContact CD2-CZ 4.22Å; L82-F368 HydrophobicContact CD1-CD2 4.45Å; L82-F368 HydrophobicContact CD1-CE2 3.92Å; L82-F368 HydrophobicContact CD1-CZ 4.13Å; V85-F368 HydrophobicContact CB-CD1 4.03Å; V85-F368 HydrophobicContact CB-CE1 4.06Å; V85-F368 HydrophobicContact CG1-CD1 4.32Å; V85-F368 HydrophobicContact CG1-CE1 4.08Å; V85-F368 HydrophobicContact CG2-CD1 4.37Å; V85-F368 HydrophobicContact CG2-CE1 4.06Å; L88-F368 HydrophobicContact CD2-CE1 4.29Å; I358-F368 HydrophobicContact CD1-CB 4.11Å; I358-F368 HydrophobicContact CD1-CD1 3.95Å; I358-F368 HydrophobicContact CD1-CD2 4.13Å; I358-F368 HydrophobicContact CD1-CE1 4.4Å; I358-F368 HydrophobicContact CD1-CG 3.79Å; I358-F368 HydrophobicContact CG2-CB 4.34Å; F362-F368 HydrophobicContact CB-CD2 3.9Å; F362-F368 HydrophobicContact CB-CE2 4.48Å; V363-F368 WeakPolarHBondContact CA-O 3.39Å; V363-F368 WeakPolarHBondContact CG1-O 3.49Å
369S96.6Very high95.5Very high34 Ų3436.4 Ų36.424%0.23819%0.192CC..  trans-67.2139.4167.7173.80000110.8S83 I358 K371 C372S83-S369 VanDerWaalsContact O-CB 3.26Å; S83-S369 WeakPolarHBondContact O-CB 3.39Å; I358-S369 WeakPolarHBondContact CG2-O 3.4Å; S369-K371 PolarHBondContact O-N 3.31Å; S369-K371 VanDerWaalsContact O-N 3.11Å; S369-K371 PolarHBondContact OG-N 3.49Å; S369-K371 VanDerWaalsContact OG-N 3.1Å; S369-C372 WeakPolarHBondContact O-CB 3.16Å; S369-C372 PolarHBondContact O-N 3.15Å
370S97Very high94.7Very high79 Ų7937.6 Ų37.655%0.55220%0.198SC*.THydrogen-bonded Turntrans-64-11.1170.458.10000113.5C357C357-S370 PolarHBondContact SG-O 3.49Å
371K95.6Very high93.6Very high164 Ų16435.8 Ų35.871%0.71318%0.183SC*.THydrogen-bonded Turntrans-92.7-6.1173.2-58.2-177.8179.2179.40113.3S369 R373S369-K371 PolarHBondContact O-N 3.31Å; S369-K371 VanDerWaalsContact O-N 3.11Å; S369-K371 PolarHBondContact OG-N 3.49Å; S369-K371 VanDerWaalsContact OG-N 3.1Å; K371-R373 PolarHBondContact O-N 3.41Å
372C96.7Very high92.2Very high0 Ų035.6 Ų35.60%018%0.183CC..  trans-60.1125.7178.1177.30000109.8V85 L86 C357 I358 S369V85-C372 WeakPolarHBondContact O-CB 3.49Å; L86-C372 WeakPolarHBondContact O-CA 3.43Å; C357-C372 WeakPolarHBondContact CA-O 3.4Å; I358-C372 HydrophobicContact CB-CB 4.34Å; I358-C372 HydrophobicContact CG2-CB 3.89Å; I358-C372 PolarHBondContact N-O 3.27Å; S369-C372 WeakPolarHBondContact O-CB 3.16Å; S369-C372 PolarHBondContact O-N 3.15Å
373R96Very high90.7Very high77 Ų7735.6 Ų35.629%0.29118%0.183SC..EExtended strand (participates in β ladder)trans-90.2134.2-179.7-62.5-62.3-170.8170.1-7.1111.6L86 A87 L88 Q355 D356 K371 L602L86-R373 PolarHBondContact O-N 3.4Å; A87-R373 CarbonylContact C-O 3.58Å; A87-R373 WeakPolarHBondContact CA-O 3.15Å; A87-R373 HydrophobicContact CB-CB 4.11Å; A87-R373 WeakPolarHBondContact CB-O 3.3Å; L88-R373 PolarHBondContact N-O 2.99Å; Q355-R373 WeakPolarHBondContact O-CD 3.41Å; Q355-R373 PolarHBondContact O-NH1 3.39Å; D356-R373 CarbonylContact O-C 3.53Å; D356-R373 WeakPolarHBondContact O-CA 3.4Å; K371-R373 PolarHBondContact O-N 3.41Å; R373-L602 HydrophobicContact CB-CD2 3.82Å; R373-L602 HydrophobicContact CG-CD2 3.56Å
374V96Very high88.6Confident0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-98.2114.6170.1-177.70000108L88 F271 L272 D356 I358 F377L88-V374 HydrophobicContact CD1-CB 4.36Å; L88-V374 HydrophobicContact CD1-CG1 3.93Å; L88-V374 HydrophobicContact CD1-CG2 4.1Å; L88-V374 HydrophobicContact CG-CG2 4.27Å; F271-V374 HydrophobicContact CB-CG1 4Å; F271-V374 HydrophobicContact CB-CG2 3.93Å; L272-V374 HydrophobicContact CD2-CB 3.67Å; L272-V374 HydrophobicContact CD2-CG1 4.01Å; L272-V374 HydrophobicContact CD2-CG2 4.09Å; L272-V374 HydrophobicContact CG-CB 4.23Å; L272-V374 HydrophobicContact CG-CG1 4Å; D356-V374 PolarHBondContact N-O 2.94Å; D356-V374 PolarHBondContact O-N 3.25Å; I358-V374 HydrophobicContact CB-CG2 3.9Å; I358-V374 HydrophobicContact CG1-CG2 4.02Å; V374-F377 HydrophobicContact CG1-CE2 4.3Å
375V91.9Very high86.7Confident0 Ų026.5 Ų26.50%014%0.142CC..EExtended strand (participates in β ladder)trans-95.2134.8176.8-179.20000108.3L88 S89 F351 L354 F377 A601L88-V375 PolarHBondContact O-N 3.36Å; S89-V375 PolarHBondContact OG-O 2.94Å; F351-V375 WeakPolarHBondContact O-CG1 3.25Å; L354-V375 WeakPolarHBondContact O-CA 3.49Å; V375-F377 WeakPolarHBondContact O-CD2 3.48Å; V375-F377 PolarHBondContact O-N 3.28Å; V375-A601 HydrophobicContact CB-CB 4.24Å; V375-A601 HydrophobicContact CG1-CB 3.69Å; V375-A601 HydrophobicContact CG2-CB 3.47Å; V375-A601 VanDerWaalsContact CG2-CB 3.47Å
376V90.3Very high84.8Confident0 Ų023.7 Ų23.70%013%0.131CC..PPolyproline II helixtrans-47.3139.8-176.670.90000111.3S89 P277 D279 F351 L354 R597S89-V376 PolarHBondContact OG-O 3.15Å; P277-V376 HydrophobicContact CG-CG2 4.13Å; P277-V376 WeakPolarHBondContact O-CG2 3.11Å; D279-V376 HydrophobicContact CB-CG1 4.04Å; D279-V376 HydrophobicContact CB-CG2 4.12Å; F351-V376 VanDerWaalsContact CA-CG1 3.46Å; F351-V376 HydrophobicContact CB-CG1 4.45Å; F351-V376 WeakPolarHBondContact O-CG1 3.4Å; L354-V376 HydrophobicContact CB-CB 4.21Å; L354-V376 HydrophobicContact CD2-CB 4.29Å; V376-R597 PolarHBondContact O-NH1 2.86Å; V376-R597 PolarHBondContact O-NH2 2.96Å
377F92.5Very high82.7Confident0 Ų023.9 Ų23.90%013%0.132CC..PPolyproline II helixtrans-84.7160.7-179.2-76.9-133.6000109.5F11 L88 S89 G90 S264 L267 C268 F271 V374 V375F11-F377 HydrophobicContact CB-CE1 4Å; F11-F377 HydrophobicContact CD2-CZ 4.3Å; L88-F377 HydrophobicContact CD1-CE2 3.85Å; L88-F377 HydrophobicContact CD1-CZ 3.91Å; S89-F377 VanDerWaalsContact C-CZ 3.43Å; G90-F377 VanDerWaalsContact C-CD1 3.48Å; G90-F377 VanDerWaalsContact CA-CD1 3.4Å; G90-F377 VanDerWaalsContact CA-CE1 3.47Å; G90-F377 WeakPolarHBondContact O-CA 3.03Å; G90-F377 WeakPolarHBondContact O-CB 3.11Å; S264-F377 VanDerWaalsContact O-CB 3.27Å; S264-F377 WeakPolarHBondContact O-CB 3.4Å; L267-F377 HydrophobicContact CB-CD1 4.08Å; L267-F377 HydrophobicContact CB-CE1 4.17Å; L267-F377 HydrophobicContact CD2-CD1 3.78Å; L267-F377 HydrophobicContact CD2-CE1 3.4Å; L267-F377 VanDerWaalsContact CD2-CE1 3.4Å; L267-F377 HydrophobicContact CD2-CZ 4.48Å; L267-F377 HydrophobicContact CG-CD1 3.88Å; L267-F377 HydrophobicContact CG-CE1 3.47Å; L267-F377 VanDerWaalsContact CG-CE1 3.47Å; L267-F377 HydrophobicContact CG-CZ 4.22Å; C268-F377 HydrophobicContact CB-CB 4.06Å; C268-F377 HydrophobicContact CB-CD2 3.51Å; C268-F377 HydrophobicContact CB-CE2 4.17Å; C268-F377 HydrophobicContact CB-CG 3.9Å; F271-F377 HydrophobicContact CD2-CE2 4.23Å; F271-F377 AromaticContact CD2-CZ 3.72Å; F271-F377 HydrophobicContact CD2-CZ 3.72Å; F271-F377 HydrophobicContact CE2-CE1 4.36Å; F271-F377 AromaticContact CE2-CZ 3.78Å; F271-F377 HydrophobicContact CE2-CZ 3.78Å; V374-F377 HydrophobicContact CG1-CE2 4.3Å; V375-F377 WeakPolarHBondContact O-CD2 3.48Å; V375-F377 PolarHBondContact O-N 3.28Å
378T89.6Confident80.5Confident0 Ų022.2 Ų22.20%012%0.115CC..EExtended strand (participates in β ladder)trans-132.5177.8179.4-174.90000110.7G90 A91 A92 S264 D279 P382 C383G90-T378 PolarHBondContact O-N 3.25Å; A91-T378 CarbonylContact C-O 3.41Å; A91-T378 VanDerWaalsContact CA-O 3.26Å; A91-T378 WeakPolarHBondContact CA-O 2.99Å; A92-T378 PolarHBondContact N-O 3.12Å; A92-T378 VanDerWaalsContact N-O 3.12Å; S264-T378 WeakPolarHBondContact CB-O 3.13Å; D279-T378 PolarHBondContact OD1-OG1 3.19Å; D279-T378 PolarHBondContact OD2-OG1 3.08Å; T378-P382 HydrophobicContact CG2-CB 4.37Å; T378-C383 HydrophobicContact CG2-CB 3.72Å
379G84.3Confident78.3Confident0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-64.9151171.900000112.5A92 D282 N381 P382 C383A92-G379 CarbonylContact O-C 3.48Å; D282-G379 WeakPolarHBondContact OD1-CA 3.37Å; G379-N381 PolarHBondContact O-N 2.93Å; G379-P382 VanDerWaalsContact O-CD 3.29Å; G379-P382 WeakPolarHBondContact O-CD 3.4Å; G379-C383 WeakPolarHBondContact O-CB 3.23Å; G379-C383 PolarHBondContact O-N 3.24Å
380D80Confident76Confident37 Ų3721.2 Ų21.220%0.19811%0.108CC..Hα-helixtrans-59-40.2178.961.5-4.2000114.2A91 A92 Q94 C383 G384 A590A91-D380 HydrophobicContact CB-CB 4.31Å; A92-D380 PolarHBondContact O-N 3.23Å; Q94-D380 VanDerWaalsContact CG-OD1 3.3Å; Q94-D380 WeakPolarHBondContact CG-OD1 3.42Å; D380-C383 PolarHBondContact O-N 3.13Å; D380-G384 PolarHBondContact O-N 2.74Å; D380-A590 HydrophobicContact CB-CB 4.3Å
381N75.5Confident73.5Confident49 Ų4918.1 Ų18.126%0.2629%0.087SC..Hα-helixtrans-68.5-48.6177.5-57.8-56.9000112Q94 G379 C383 G384 Y385 F423 F450Q94-N381 PolarHBondContact OE1-ND2 3.32Å; G379-N381 PolarHBondContact O-N 2.93Å; N381-C383 VanDerWaalsContact C-N 3.31Å; N381-C383 PolarHBondContact O-N 3.42Å; N381-G384 PolarHBondContact O-N 3.39Å; N381-Y385 WeakPolarHBondContact O-CB 3.3Å; N381-Y385 PolarHBondContact O-N 3.43Å; N381-F423 HydrophobicContact CB-CE1 4.14Å; N381-F423 HydrophobicContact CB-CZ 4.11Å; N381-F423 WeakPolarHBondContact O-CE1 3.35Å; N381-F423 WeakPolarHBondContact O-CZ 3.39Å; N381-F450 HydrophobicContact CB-CD1 4.09Å; N381-F450 HydrophobicContact CB-CE1 3.51Å
382P68.7Low71Confident0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-53.5-42.8168.6-26.631.6000114.4S281 T378 G379 Y385 L386 P441 M448S281-P382 VanDerWaalsContact OG-CB 3.26Å; S281-P382 WeakPolarHBondContact OG-CB 3.45Å; S281-P382 WeakPolarHBondContact OG-CG 3.4Å; T378-P382 HydrophobicContact CG2-CB 4.37Å; G379-P382 VanDerWaalsContact O-CD 3.29Å; G379-P382 WeakPolarHBondContact O-CD 3.4Å; P382-Y385 WeakPolarHBondContact O-CB 3.42Å; P382-L386 PolarHBondContact O-N 3.38Å; P382-P441 HydrophobicContact CB-CB 3.84Å; P382-P441 HydrophobicContact CB-CG 3.71Å; P382-P441 WeakPolarHBondContact O-CG 3.14Å; P382-M448 HydrophobicContact CB-CE 4.29Å; P382-M448 HydrophobicContact CB-SD 4.11Å; P382-M448 HydrophobicContact CG-CE 4.28Å; P382-M448 HydrophobicContact CG-SD 4.06Å
383C66.6Low68.3Low0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-72.4-40.5-178.6-148.80000112.5A91 T378 G379 D380 N381 Y385 L386 N387 A590 G594A91-C383 HydrophobicContact CB-CB 3.61Å; T378-C383 HydrophobicContact CG2-CB 3.72Å; G379-C383 WeakPolarHBondContact O-CB 3.23Å; G379-C383 PolarHBondContact O-N 3.24Å; D380-C383 PolarHBondContact O-N 3.13Å; N381-C383 VanDerWaalsContact C-N 3.31Å; N381-C383 PolarHBondContact O-N 3.42Å; C383-Y385 VanDerWaalsContact C-N 3.3Å; C383-Y385 PolarHBondContact O-N 2.76Å; C383-L386 WeakPolarHBondContact O-CB 3.36Å; C383-L386 PolarHBondContact O-N 3Å; C383-N387 PolarHBondContact O-N 3.4Å; C383-A590 PolarHBondContact SG-O 2.83Å; C383-G594 PolarHBondContact SG-N 2.93Å
384G53.6Low65.3Low7 Ų724 Ų247%0.07211%0.11CC..Hα-helixtrans-64.6-36175.600000112D380 N381 L386 N387 I388D380-G384 PolarHBondContact O-N 2.74Å; N381-G384 PolarHBondContact O-N 3.39Å; G384-L386 VanDerWaalsContact C-N 3.34Å; G384-L386 PolarHBondContact O-N 2.8Å; G384-N387 PolarHBondContact O-N 2.87Å; G384-I388 PolarHBondContact O-N 2.91Å
385Y59.4Low62.4Low3 Ų332 Ų321%0.01214%0.144CC..Hα-helixtrans-56.4-46.5172178.1-123.5000111.6N381 P382 C383 N387 I388 M389 F423 M448N381-Y385 WeakPolarHBondContact O-CB 3.3Å; N381-Y385 PolarHBondContact O-N 3.43Å; P382-Y385 WeakPolarHBondContact O-CB 3.42Å; C383-Y385 VanDerWaalsContact C-N 3.3Å; C383-Y385 PolarHBondContact O-N 2.76Å; Y385-N387 VanDerWaalsContact C-N 3.3Å; Y385-N387 PolarHBondContact O-N 3.4Å; Y385-I388 WeakPolarHBondContact O-CB 3.29Å; Y385-I388 PolarHBondContact O-N 2.95Å; Y385-M389 HydrophobicContact CD1-CE 3.17Å; Y385-M389 HydrophobicContact CD1-SD 4.01Å; Y385-M389 HydrophobicContact CD2-CE 4.33Å; Y385-M389 HydrophobicContact CD2-SD 4.46Å; Y385-M389 HydrophobicContact CE1-CE 3.1Å; Y385-M389 HydrophobicContact CE1-SD 3.39Å; Y385-M389 WeakPolarHBondContact CE1-SD 3.41Å; Y385-M389 HydrophobicContact CE2-CE 4.27Å; Y385-M389 HydrophobicContact CE2-CG 4.28Å; Y385-M389 HydrophobicContact CE2-SD 3.9Å; Y385-M389 HydrophobicContact CG-CE 3.83Å; Y385-M389 WeakPolarHBondContact O-CG 3.35Å; Y385-M389 PolarHBondContact O-N 3.15Å; Y385-M389 PolarHBondContact OH-SD 3.5Å; Y385-F423 HydrophobicContact CD2-CB 3.35Å; Y385-F423 AromaticContact CD2-CD1 3.73Å; Y385-F423 HydrophobicContact CD2-CD1 3.73Å; Y385-F423 AromaticContact CD2-CD2 3.78Å; Y385-F423 HydrophobicContact CD2-CD2 3.78Å; Y385-F423 HydrophobicContact CD2-CE1 4.4Å; Y385-F423 HydrophobicContact CD2-CE2 4.46Å; Y385-F423 AromaticContact CD2-CG 3.34Å; Y385-F423 HydrophobicContact CD2-CG 3.34Å; Y385-F423 HydrophobicContact CE2-CB 3.33Å; Y385-F423 HydrophobicContact CE2-CD1 4.47Å; Y385-F423 AromaticContact CE2-CG 3.92Å; Y385-F423 HydrophobicContact CE2-CG 3.92Å; Y385-F423 HydrophobicContact CG-CB 4.19Å; Y385-F423 AromaticContact CG-CD1 3.79Å; Y385-F423 HydrophobicContact CG-CD1 3.79Å; Y385-F423 HydrophobicContact CG-CD2 4.48Å; Y385-F423 HydrophobicContact CG-CE1 4.2Å; Y385-F423 AromaticContact CG-CG 3.92Å; Y385-F423 HydrophobicContact CG-CG 3.92Å; Y385-M448 HydrophobicContact CD1-CE 4.13Å; Y385-M448 HydrophobicContact CG-CE 4.27Å
386L56.7Low59.6Low0 Ų038 Ų380%018%0.175CC..Hα-helixtrans-57.7-41.2178.8168.767.9000113.4P382 C383 G384 I388 M389 V390 I442 G593 V596 R597 L613P382-L386 PolarHBondContact O-N 3.38Å; C383-L386 WeakPolarHBondContact O-CB 3.36Å; C383-L386 PolarHBondContact O-N 3Å; G384-L386 VanDerWaalsContact C-N 3.34Å; G384-L386 PolarHBondContact O-N 2.8Å; L386-I388 VanDerWaalsContact C-N 3.29Å; L386-I388 PolarHBondContact O-N 3.39Å; L386-M389 HydrophobicContact CB-CE 4.36Å; L386-M389 CarbonylContact O-C 3.53Å; L386-M389 WeakPolarHBondContact O-CA 3.4Å; L386-M389 VanDerWaalsContact O-CB 3.31Å; L386-M389 WeakPolarHBondContact O-CB 3.41Å; L386-M389 PolarHBondContact O-N 3.07Å; L386-V390 HydrophobicContact CD1-CG2 3.46Å; L386-V390 VanDerWaalsContact CD1-CG2 3.46Å; L386-V390 HydrophobicContact CG-CG2 4.27Å; L386-V390 PolarHBondContact O-N 2.77Å; L386-V390 VanDerWaalsContact O-N 3.14Å; L386-I442 HydrophobicContact CB-CD1 4.33Å; L386-I442 HydrophobicContact CD1-CD1 3.27Å; L386-I442 HydrophobicContact CD1-CG1 3.88Å; L386-I442 HydrophobicContact CG-CD1 4.32Å; L386-G593 VanDerWaalsContact CD2-O 3.3Å; L386-G593 WeakPolarHBondContact CD2-O 3.27Å; L386-V596 HydrophobicContact CD1-CG1 3.86Å; L386-V596 HydrophobicContact CD2-CB 3.96Å; L386-V596 HydrophobicContact CD2-CG1 3.77Å; L386-V596 HydrophobicContact CG-CB 4.29Å; L386-V596 HydrophobicContact CG-CG1 3.87Å; L386-R597 HydrophobicContact CD2-CB 4.31Å; L386-R597 HydrophobicContact CD2-CG 3.1Å; L386-L613 HydrophobicContact CD1-CD1 3.2Å
387N54Low56.7Low11 Ų1147.2 Ų47.26%0.05922%0.218CC..Hα-helixtrans-69.4-28.6179.2168.477.1000112.8C383 G384 Y385 M389 V586 S589 L592C383-N387 PolarHBondContact O-N 3.4Å; G384-N387 PolarHBondContact O-N 2.87Å; Y385-N387 VanDerWaalsContact C-N 3.3Å; Y385-N387 PolarHBondContact O-N 3.4Å; N387-M389 PolarHBondContact O-N 3.08Å; N387-V586 WeakPolarHBondContact ND2-CB 3.1Å; N387-V586 WeakPolarHBondContact ND2-CG1 3.4Å; N387-V586 WeakPolarHBondContact ND2-CG2 3.41Å; N387-V586 WeakPolarHBondContact OD1-CG1 3.29Å; N387-S589 WeakPolarHBondContact CB-O 3.37Å; N387-S589 WeakPolarHBondContact ND2-CA 3.21Å; N387-S589 VanDerWaalsContact ND2-CB 3.35Å; N387-S589 WeakPolarHBondContact ND2-CB 3.07Å; N387-L592 WeakPolarHBondContact OD1-CD2 3.21Å; N387-L592 VanDerWaalsContact OD1-CG 3.23Å; N387-L592 WeakPolarHBondContact OD1-CG 3.46Å
388I52Low53.4Low1 Ų150.2 Ų50.21%0.00525%0.249CC..Hα-helixtrans-63-27.3168.6-58.3167.4000109.6G384 Y385 L386 Q407 L558 T560 K584G384-I388 PolarHBondContact O-N 2.91Å; Y385-I388 WeakPolarHBondContact O-CB 3.29Å; Y385-I388 PolarHBondContact O-N 2.95Å; L386-I388 VanDerWaalsContact C-N 3.29Å; L386-I388 PolarHBondContact O-N 3.39Å; I388-Q407 PolarHBondContact O-NE2 3.31Å; I388-L558 HydrophobicContact CG2-CB 3.88Å; I388-L558 HydrophobicContact CG2-CD1 4.18Å; I388-T560 HydrophobicContact CD1-CG2 3.66Å; I388-T560 HydrophobicContact CG1-CG2 4.2Å; I388-K584 HydrophobicContact CG2-CD 4.31Å; I388-K584 WeakPolarHBondContact O-CD 3.3Å; I388-K584 WeakPolarHBondContact O-CE 3.24Å; I388-K584 PolarHBondContact O-NZ 2.76Å
389M50.6Low50.5Low1 Ų162.1 Ų62.11%0.00529%0.294CS..Hα-helixtrans-87.3-28.9-174.5-62.2-168.3-74.200116.2Y385 L386 N387 Q407 W425 I442 F615 E616Y385-M389 HydrophobicContact CD1-CE 3.17Å; Y385-M389 HydrophobicContact CD1-SD 4.01Å; Y385-M389 HydrophobicContact CD2-CE 4.33Å; Y385-M389 HydrophobicContact CD2-SD 4.46Å; Y385-M389 HydrophobicContact CE1-CE 3.1Å; Y385-M389 HydrophobicContact CE1-SD 3.39Å; Y385-M389 WeakPolarHBondContact CE1-SD 3.41Å; Y385-M389 HydrophobicContact CE2-CE 4.27Å; Y385-M389 HydrophobicContact CE2-CG 4.28Å; Y385-M389 HydrophobicContact CE2-SD 3.9Å; Y385-M389 HydrophobicContact CG-CE 3.83Å; Y385-M389 WeakPolarHBondContact O-CG 3.35Å; Y385-M389 PolarHBondContact O-N 3.15Å; Y385-M389 PolarHBondContact OH-SD 3.5Å; L386-M389 HydrophobicContact CB-CE 4.36Å; L386-M389 CarbonylContact O-C 3.53Å; L386-M389 WeakPolarHBondContact O-CA 3.4Å; L386-M389 VanDerWaalsContact O-CB 3.31Å; L386-M389 WeakPolarHBondContact O-CB 3.41Å; L386-M389 PolarHBondContact O-N 3.07Å; N387-M389 PolarHBondContact O-N 3.08Å; M389-Q407 VanDerWaalsContact CA-NE2 3.34Å; M389-W425 HydrophobicContact SD-CZ3 4.21Å; M389-I442 HydrophobicContact CE-CD1 3.23Å; M389-I442 HydrophobicContact SD-CD1 4.43Å; M389-F615 HydrophobicContact CB-CD1 3.71Å; M389-F615 HydrophobicContact CB-CE1 3.8Å; M389-F615 HydrophobicContact CG-CE1 4.46Å; M389-F615 CarbonylContact O-C 3.47Å; M389-F615 WeakPolarHBondContact O-CA 3.4Å; M389-F615 WeakPolarHBondContact O-CD1 3.36Å; M389-F615 HydrophobicContact SD-CE1 4.1Å; M389-E616 PolarHBondContact O-N 3.38Å
390V49.3Very low47.7Very low16 Ų1666.1 Ų66.110%0.09733%0.328CS..BIsolated β-bridgetrans-101.7137.2-164.21770000115.9L27 L386 F393 V596 L613L27-V390 HydrophobicContact CD1-CG1 4.33Å; L386-V390 HydrophobicContact CD1-CG2 3.46Å; L386-V390 VanDerWaalsContact CD1-CG2 3.46Å; L386-V390 HydrophobicContact CG-CG2 4.27Å; L386-V390 PolarHBondContact O-N 2.77Å; L386-V390 VanDerWaalsContact O-N 3.14Å; V390-F393 HydrophobicContact CG1-CE2 4.45Å; V390-V596 HydrophobicContact CB-CG1 3.89Å; V390-V596 HydrophobicContact CB-CG2 4.41Å; V390-V596 HydrophobicContact CG1-CG1 3.79Å; V390-V596 HydrophobicContact CG1-CG2 4.33Å; V390-V596 HydrophobicContact CG2-CG1 3.62Å; V390-L613 HydrophobicContact CG1-CD2 4.38Å; V390-L613 HydrophobicContact CG2-CB 4.31Å; V390-L613 HydrophobicContact CG2-CD1 4.02Å; V390-L613 HydrophobicContact CG2-CD2 3.91Å; V390-L613 HydrophobicContact CG2-CG 4.33Å
391A44.5Very low45Very low14 Ų1469.7 Ų69.712%0.11636%0.355CS..  trans-115.5152.7159.400000107.2F393 E616A391-F393 PolarHBondContact O-N 3.06Å; A391-F393 VanDerWaalsContact O-N 3.1Å; A391-E616 HydrophobicContact CB-CB 3.74Å; A391-E616 HydrophobicContact CB-CG 3.28Å; A391-E616 WeakPolarHBondContact CB-O 3.32Å
392K42.3Very low42.7Very low137 Ų13775.6 Ų75.660%0.59639%0.386SS*.  trans2182.9141.4-71.7-176.4169.7174.60114.5R394K392-R394 PolarHBondContact O-N 3.3Å
393F39.5Very low40.7Very low26 Ų2680.4 Ų80.411%0.11443%0.426CS..  trans-51.7105149.4-82.8-86.5000109.6L27 V390 A391 V596 K599 H600 I603 L613L27-F393 HydrophobicContact CD1-CD2 3.56Å; L27-F393 HydrophobicContact CD1-CE2 3.96Å; L27-F393 HydrophobicContact CG-CD2 4.47Å; V390-F393 HydrophobicContact CG1-CE2 4.45Å; A391-F393 PolarHBondContact O-N 3.06Å; A391-F393 VanDerWaalsContact O-N 3.1Å; F393-V596 HydrophobicContact CE2-CG1 4.43Å; F393-K599 HydrophobicContact CB-CD 4.17Å; F393-K599 VanDerWaalsContact CB-CE 3.49Å; F393-K599 VanDerWaalsContact CB-NZ 3.25Å; F393-K599 HydrophobicContact CD2-CD 3.79Å; F393-K599 HydrophobicContact CD2-CG 4.26Å; F393-K599 HydrophobicContact CE2-CB 4.5Å; F393-K599 HydrophobicContact CE2-CD 4.2Å; F393-K599 HydrophobicContact CE2-CG 4.18Å; F393-K599 HydrophobicContact CG-CD 3.98Å; F393-K599 HydrophobicContact CZ-CG 4.39Å; F393-H600 HydrophobicContact CZ-CB 3.89Å; F393-I603 HydrophobicContact CD1-CD1 3.26Å; F393-I603 HydrophobicContact CE1-CD1 3.14Å; F393-I603 HydrophobicContact CE1-CG1 4.45Å; F393-I603 HydrophobicContact CG-CD1 4.16Å; F393-I603 HydrophobicContact CZ-CD1 3.93Å; F393-L613 HydrophobicContact CD2-CD2 4.47Å; F393-L613 HydrophobicContact CE1-CD2 4.06Å; F393-L613 HydrophobicContact CE2-CD2 3.35Å; F393-L613 HydrophobicContact CZ-CD2 3.12Å; F393-L613 HydrophobicContact CZ-CG 4.37Å
394R34.7Very low38.8Very low203 Ų20382.9 Ų82.977%0.76645%0.451SS*.  trans-121.793168.1-90.9-171.2164.7-170.1-4.9109.1K392K392-R394 PolarHBondContact O-N 3.3Å
395F34.3Very low37.8Very low167 Ų16786.2 Ų86.273%0.73247%0.467SS*.  trans-117.984.4162.2-97.5-87.1000109.4E614F395-E614 WeakPolarHBondContact CE2-OE1 3.4Å
396I33.8Very low36.8Very low125 Ų12590.1 Ų90.164%0.64149%0.488SS*.  trans-134.3131.2156-61.6-178.2000106.2
397Q27.8Very low36.4Very low194 Ų19490.6 Ų90.691%0.90749%0.49SS*.SBendtrans-55.3138.2-172.8-67.4177.8-29.800114.4
398G24.5Very low36.6Very low63 Ų6394 Ų9465%0.64950%0.502SS*.  trans95.5144.7163.200000114.9
399W28.8Very low37.2Very low250 Ų25097.5 Ų97.595%0.94753%0.525SS*.  trans87.688.4178.1-56.974.5000114.2
400A24.6Very low38.2Very low85 Ų8598.1 Ų98.170%0.70253%0.529SS*.  65.1117.279.700000113.1
401S24.7Very low39.5Very low111 Ų11197.4 Ų97.478%0.77653%0.525SS*.  trans58.290163.857.20000117.8
402L26.2Very low41.3Very low174 Ų17496.7 Ų96.791%0.91152%0.519SS*.  trans162.186.9137.2-87.8155.4000108.5
403A26.4Very low43.1Very low101 Ų10190.2 Ų90.284%0.83549%0.491SS*.  trans-80.3150.5177.100000111.1
404G27.6Very low45.1Very low52 Ų5289 Ų8954%0.53649%0.486SS..  trans103.8105.8130.400000113.2
405L31.3Very low47.1Very low76 Ų7680.7 Ų80.740%0.39846%0.459SS..  trans176.3113.4-176.4-106.2-162.4000100.9F615 L617L405-F615 VanDerWaalsContact O-O 3.09Å; L405-L617 CarbonylContact C-O 3.6Å; L405-L617 VanDerWaalsContact CA-O 3.31Å; L405-L617 WeakPolarHBondContact CA-O 3.42Å; L405-L617 HydrophobicContact CB-CB 3.02Å; L405-L617 HydrophobicContact CB-CD1 3.78Å; L405-L617 HydrophobicContact CB-CD2 3.55Å; L405-L617 HydrophobicContact CB-CG 3.47Å; L405-L617 VanDerWaalsContact CB-CG 3.47Å; L405-L617 VanDerWaalsContact CB-O 3.23Å; L405-L617 WeakPolarHBondContact CB-O 2.97Å; L405-L617 HydrophobicContact CD1-CB 3.43Å; L405-L617 VanDerWaalsContact CD1-CB 3.43Å; L405-L617 HydrophobicContact CD1-CD1 4.09Å; L405-L617 HydrophobicContact CD1-CG 4.32Å; L405-L617 WeakPolarHBondContact CD2-O 3.44Å; L405-L617 HydrophobicContact CG-CB 3.78Å; L405-L617 HydrophobicContact CG-CD1 4.41Å; L405-L617 HydrophobicContact CG-CG 4.46Å; L405-L617 VanDerWaalsContact O-CA 3.3Å; L405-L617 WeakPolarHBondContact O-CA 3.45Å; L405-L617 WeakPolarHBondContact O-CD2 3.32Å
406N38.9Very low49.2Very low85 Ų8572.8 Ų72.846%0.45542%0.424SS..  trans-153.5103.9-139.3-146.41.5000108.8R408 R556 L617N406-R408 HydrophobicContact CB-CG 4.03Å; N406-R408 PolarHBondContact O-N 3.31Å; N406-R408 PolarHBondContact O-NE 3.11Å; N406-R556 PolarHBondContact O-NH2 3.44Å; N406-L617 PolarHBondContact N-O 3.31Å
407Q48.5Very low50.8Low11 Ų1167.9 Ų67.95%0.05141%0.405CS..  trans-69.5128.5162.6-80.7-144.327.100108.4I388 M389 D411 L558 F615I388-Q407 PolarHBondContact O-NE2 3.31Å; M389-Q407 VanDerWaalsContact CA-NE2 3.34Å; Q407-D411 VanDerWaalsContact CA-OD2 3.23Å; Q407-D411 WeakPolarHBondContact CA-OD2 3.36Å; Q407-D411 WeakPolarHBondContact CG-OD2 3.46Å; Q407-L558 HydrophobicContact CG-CD1 3.77Å; Q407-F615 HydrophobicContact CB-CB 3.74Å; Q407-F615 HydrophobicContact CB-CD1 4.26Å; Q407-F615 HydrophobicContact CB-CG 3.96Å; Q407-F615 WeakPolarHBondContact O-CD2 3.49Å
408R57.6Low52.4Low83 Ų8362.2 Ų62.231%0.31338%0.383SS..  trans-122.4159.7-171.2-73.7172.8-73.1152.24.9108.5N406 S410 D411 E555N406-R408 HydrophobicContact CB-CG 4.03Å; N406-R408 PolarHBondContact O-N 3.31Å; N406-R408 PolarHBondContact O-NE 3.11Å; R408-S410 VanDerWaalsContact CB-OG 3.26Å; R408-S410 WeakPolarHBondContact CB-OG 3.18Å; R408-S410 PolarHBondContact O-N 3.44Å; R408-D411 PolarHBondContact N-OD2 2.92Å; R408-D411 PolarHBondContact O-N 3.14Å; R408-E555 IonicContact CZ-OE1 2.77Å; R408-E555 IonicContact CZ-OE2 3.89Å; R408-E555 VanDerWaalsContact NH1-CD 3.27Å; R408-E555 IonicContact NH1-OE1 3.54Å; R408-E555 PolarHBondContact NH1-OE1 3.37Å; R408-E555 IonicContact NH1-OE2 3.77Å; R408-E555 PolarHBondContact NH1-OE2 3.41Å; R408-E555 IonicContact NH2-OE2 2.68Å; R408-E555 PolarHBondContact NH2-OE2 2.74Å
409P64.4Low54.2Low74 Ų7460.4 Ų60.448%0.48136%0.361SS..THydrogen-bonded Turntrans-51.2-6.1165.8-28.336.2000115.3W425P409-W425 HydrophobicContact CB-CG 4.32Å
410S72.2Confident56.2Low13 Ų1348.5 Ų48.59%0.09132%0.316CS..THydrogen-bonded Turntrans-93.92.3173.562.70000114.9R408 M554 E555R408-S410 VanDerWaalsContact CB-OG 3.26Å; R408-S410 WeakPolarHBondContact CB-OG 3.18Å; R408-S410 PolarHBondContact O-N 3.44Å; S410-M554 CarbonylContact O-C 3.17Å; S410-M554 WeakPolarHBondContact O-CA 3.4Å; S410-M554 VanDerWaalsContact O-SD 3.33Å; S410-E555 PolarHBondContact O-N 2.86Å
411D76.8Confident58.3Low1 Ų144.6 Ų44.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-95.3138.3178.4-69.6-14.2000111.5Q407 R408 R556 L558Q407-D411 VanDerWaalsContact CA-OD2 3.23Å; Q407-D411 WeakPolarHBondContact CA-OD2 3.36Å; Q407-D411 WeakPolarHBondContact CG-OD2 3.46Å; R408-D411 PolarHBondContact N-OD2 2.92Å; R408-D411 PolarHBondContact O-N 3.14Å; D411-R556 WeakPolarHBondContact OD1-CG 3.43Å; D411-R556 IonicContact OD1-CZ 2.58Å; D411-R556 IonicContact OD1-NE 2.86Å; D411-R556 PolarHBondContact OD1-NE 2.81Å; D411-R556 IonicContact OD1-NH2 2.68Å; D411-R556 PolarHBondContact OD1-NH2 3.35Å; D411-R556 IonicContact OD2-CZ 2.83Å; D411-R556 IonicContact OD2-NE 2.56Å; D411-R556 PolarHBondContact OD2-NE 3.2Å; D411-R556 IonicContact OD2-NH2 2.62Å; D411-R556 PolarHBondContact OD2-NH2 3.46Å; D411-L558 HydrophobicContact CB-CD1 4.23Å
412L81.7Confident60.7Low0 Ų039.7 Ų39.70%025%0.248CC..EExtended strand (participates in β ladder)trans-102.9125170.3-177.171.7000108.9I414 V422 V424 M550 M554 R556 I557 L558 F577L412-I414 HydrophobicContact CD2-CD1 3.86Å; L412-I414 HydrophobicContact CD2-CG1 4.36Å; L412-I414 HydrophobicContact CG-CD1 4.29Å; L412-I414 HydrophobicContact CG-CG1 4.24Å; L412-V422 HydrophobicContact CD1-CG1 3.63Å; L412-V422 HydrophobicContact CG-CG1 4.3Å; L412-V424 HydrophobicContact CD1-CG2 3.68Å; L412-M550 HydrophobicContact CD1-SD 4.3Å; L412-M554 HydrophobicContact CB-CG 4.44Å; L412-M554 HydrophobicContact CB-SD 4.27Å; L412-R556 PolarHBondContact N-O 3.01Å; L412-R556 VanDerWaalsContact N-O 3.07Å; L412-I557 HydrophobicContact CB-CG1 4.37Å; L412-I557 HydrophobicContact CD2-CD1 4.13Å; L412-I557 HydrophobicContact CD2-CG1 4.05Å; L412-I557 HydrophobicContact CD2-CG2 4.47Å; L412-I557 CarbonylContact O-C 3.58Å; L412-I557 VanDerWaalsContact O-CA 3.24Å; L412-I557 WeakPolarHBondContact O-CA 3.44Å; L412-L558 PolarHBondContact O-N 2.83Å; L412-F577 HydrophobicContact CD2-CD1 3.68Å; L412-F577 HydrophobicContact CD2-CE1 3.24Å; L412-F577 HydrophobicContact CD2-CG 4.47Å; L412-F577 HydrophobicContact CD2-CZ 3.7Å
413S80.2Confident63Low0 Ų031.5 Ų31.50%021%0.205CC..EExtended strand (participates in β ladder)trans-109.4135.9176.1-62.20000111.3V422 F423 L558S413-V422 CarbonylContact O-C 3.56Å; S413-F423 PolarHBondContact N-O 3.5Å; S413-F423 VanDerWaalsContact N-O 3.08Å; S413-F423 PolarHBondContact O-N 3.04Å; S413-L558 CarbonylContact C-O 3.57Å; S413-L558 VanDerWaalsContact CA-O 3.3Å; S413-L558 WeakPolarHBondContact CA-O 3.05Å
414I82.1Confident65.1Low0 Ų026.8 Ų26.80%017%0.166CC..EExtended strand (participates in β ladder)trans-131.6113.5-178.2-55.9-178.6000110.1L412 L416 T421 V422 K541 I557 L558 V559 T560 L573L412-I414 HydrophobicContact CD2-CD1 3.86Å; L412-I414 HydrophobicContact CD2-CG1 4.36Å; L412-I414 HydrophobicContact CG-CD1 4.29Å; L412-I414 HydrophobicContact CG-CG1 4.24Å; I414-L416 HydrophobicContact CG2-CD2 3.64Å; I414-L416 HydrophobicContact CG2-CG 3.99Å; I414-T421 CarbonylContact C-O 3.51Å; I414-T421 VanDerWaalsContact CA-O 3.26Å; I414-T421 WeakPolarHBondContact CA-O 3.13Å; I414-V422 HydrophobicContact CD1-CG1 4.35Å; I414-V422 HydrophobicContact CD1-CG2 4.2Å; I414-V422 HydrophobicContact CG1-CB 4.41Å; I414-V422 HydrophobicContact CG1-CG1 4.11Å; I414-V422 HydrophobicContact CG1-CG2 4.11Å; I414-V422 HydrophobicContact CG2-CG2 4.28Å; I414-K541 HydrophobicContact CD1-CD 4.44Å; I414-K541 HydrophobicContact CG2-CD 4.42Å; I414-I557 HydrophobicContact CD1-CG2 3.88Å; I414-I557 HydrophobicContact CG1-CG2 4.06Å; I414-L558 PolarHBondContact N-O 3.19Å; I414-V559 HydrophobicContact CB-CG1 4.44Å; I414-V559 VanDerWaalsContact O-CA 3.3Å; I414-V559 WeakPolarHBondContact O-CA 3.23Å; I414-T560 PolarHBondContact O-N 3.37Å; I414-T560 VanDerWaalsContact O-N 3.11Å; I414-L573 HydrophobicContact CD1-CD1 3.76Å; I414-L573 HydrophobicContact CD1-CD2 4Å; I414-L573 HydrophobicContact CD1-CG 4.36Å
415S77.2Confident67.2Low29 Ų2926.2 Ų26.220%0.20315%0.148CC..EExtended strand (participates in β ladder)trans-85.3119.8166.8-176.70000108.9D420 T421S415-D420 CarbonylContact O-C 3.59Å; S415-D420 WeakPolarHBondContact O-CA 2.86Å; S415-T421 PolarHBondContact N-O 3.07Å; S415-T421 PolarHBondContact O-N 2.85Å
416L77.2Confident69.1Low2 Ų222.9 Ų22.91%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-103.183.2-179.2-63.1170.1000109.5I414 D420 V559 T560 G561 G562 A563 I569 L570I414-L416 HydrophobicContact CG2-CD2 3.64Å; I414-L416 HydrophobicContact CG2-CG 3.99Å; L416-D420 WeakPolarHBondContact CA-OD1 3.45Å; L416-D420 HydrophobicContact CD2-CB 4.5Å; L416-V559 HydrophobicContact CD1-CG1 4.39Å; L416-T560 PolarHBondContact N-O 3.27Å; L416-G561 CarbonylContact O-C 3.57Å; L416-G561 VanDerWaalsContact O-C 3.24Å; L416-G561 WeakPolarHBondContact O-CA 3.35Å; L416-G562 PolarHBondContact O-N 2.8Å; L416-A563 HydrophobicContact CB-CB 3.73Å; L416-A563 PolarHBondContact O-N 2.77Å; L416-I569 HydrophobicContact CD1-CG2 4.03Å; L416-L570 HydrophobicContact CD1-CD2 4.06Å
417G68.2Low70.7Confident22 Ų2222.6 Ų22.623%0.22714%0.135CC..SBendtrans-131.9-166.9179.400000111.8S419 D420 D454G417-S419 CarbonylContact C-O 3.56Å; G417-S419 CarbonylContact O-C 3.56Å; G417-S419 WeakPolarHBondContact O-CA 3.41Å; G417-S419 PolarHBondContact O-N 2.76Å; G417-D420 PolarHBondContact O-N 2.97Å; G417-D454 WeakPolarHBondContact O-CB 3.18Å
418T60.5Low72.1Confident75 Ų7528.6 Ų28.646%0.4617%0.167SC..SBendtrans-42.6-39.6179.3-51.50000112.7D454T418-D454 WeakPolarHBondContact CA-OD2 3.16Å; T418-D454 WeakPolarHBondContact O-CB 3.33Å; T418-D454 PolarHBondContact O-N 3.46Å
419S62.1Low73.1Confident25 Ų2526 Ų2618%0.17516%0.162CC..SBendtrans-110119.2157.9-71.90000108.4G417 N452G417-S419 CarbonylContact C-O 3.56Å; G417-S419 CarbonylContact O-C 3.56Å; G417-S419 WeakPolarHBondContact O-CA 3.41Å; G417-S419 PolarHBondContact O-N 2.76Å; S419-N452 WeakPolarHBondContact CB-OD1 3.12Å; S419-N452 PolarHBondContact OG-OD1 2.7Å
420D70.8Confident74Confident0 Ų026.1 Ų26.10%016%0.157CC..EExtended strand (participates in β ladder)trans-57.6154.7161.2-66.1-15.2000107.8S415 L416 G417 R451 N452 G453 R457 K541S415-D420 CarbonylContact O-C 3.59Å; S415-D420 WeakPolarHBondContact O-CA 2.86Å; L416-D420 WeakPolarHBondContact CA-OD1 3.45Å; L416-D420 HydrophobicContact CD2-CB 4.5Å; G417-D420 PolarHBondContact O-N 2.97Å; D420-R451 CarbonylContact C-O 3.46Å; D420-R451 CarbonylContact O-C 3.24Å; D420-N452 VanDerWaalsContact O-CA 3.27Å; D420-N452 WeakPolarHBondContact O-CA 3.28Å; D420-G453 VanDerWaalsContact N-N 3.16Å; D420-R457 IonicContact OD1-CZ 2.97Å; D420-R457 IonicContact OD1-NH1 3.24Å; D420-R457 PolarHBondContact OD1-NH1 3.01Å; D420-R457 IonicContact OD1-NH2 3.61Å; D420-R457 PolarHBondContact OD1-NH2 2.82Å; D420-R457 IonicContact OD2-CZ 3.97Å; D420-R457 IonicContact OD2-NH1 3.73Å; D420-R457 PolarHBondContact OD2-NH1 2.85Å; D420-R457 IonicContact OD2-NH2 2.65Å; D420-K541 WeakPolarHBondContact OD2-CE 3.22Å; D420-K541 IonicContact OD2-NZ 3.03Å; D420-K541 PolarHBondContact OD2-NZ 3.06Å
421T70.3Confident74.4Confident3 Ų327 Ų272%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-148.3120176.4-700000108.3I414 S415 F423 F450I414-T421 CarbonylContact C-O 3.51Å; I414-T421 VanDerWaalsContact CA-O 3.26Å; I414-T421 WeakPolarHBondContact CA-O 3.13Å; S415-T421 PolarHBondContact N-O 3.07Å; S415-T421 PolarHBondContact O-N 2.85Å; T421-F423 HydrophobicContact CG2-CD1 3.99Å; T421-F423 HydrophobicContact CG2-CD2 4.05Å; T421-F423 HydrophobicContact CG2-CE1 3.51Å; T421-F423 HydrophobicContact CG2-CE2 3.57Å; T421-F423 HydrophobicContact CG2-CG 4.26Å; T421-F423 HydrophobicContact CG2-CZ 3.29Å; T421-F450 HydrophobicContact CG2-CB 4.18Å; T421-F450 HydrophobicContact CG2-CD1 3.23Å; T421-F450 HydrophobicContact CG2-CE1 3.93Å; T421-F450 HydrophobicContact CG2-CG 4.03Å
422V74.6Confident74.1Confident7 Ų728.4 Ų28.44%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-104.5101.9-178.4-177.50000109.5L412 S413 I414 V424 G449 K541 S545L412-V422 HydrophobicContact CD1-CG1 3.63Å; L412-V422 HydrophobicContact CG-CG1 4.3Å; S413-V422 CarbonylContact O-C 3.56Å; I414-V422 HydrophobicContact CD1-CG1 4.35Å; I414-V422 HydrophobicContact CD1-CG2 4.2Å; I414-V422 HydrophobicContact CG1-CB 4.41Å; I414-V422 HydrophobicContact CG1-CG1 4.11Å; I414-V422 HydrophobicContact CG1-CG2 4.11Å; I414-V422 HydrophobicContact CG2-CG2 4.28Å; V422-V424 HydrophobicContact CG1-CG2 4.08Å; V422-G449 CarbonylContact C-O 3.54Å; V422-G449 CarbonylContact O-C 3.58Å; V422-K541 HydrophobicContact CG2-CB 3.86Å; V422-K541 HydrophobicContact CG2-CD 3.76Å; V422-K541 HydrophobicContact CG2-CG 3.59Å; V422-S545 WeakPolarHBondContact CG1-OG 3.32Å
423F73.5Confident73.4Confident3 Ų330.9 Ų30.91%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-83.7121.4175.6-52.3-82.3000110.3N381 Y385 S413 T421 M448 F450N381-F423 HydrophobicContact CB-CE1 4.14Å; N381-F423 HydrophobicContact CB-CZ 4.11Å; N381-F423 WeakPolarHBondContact O-CE1 3.35Å; N381-F423 WeakPolarHBondContact O-CZ 3.39Å; Y385-F423 HydrophobicContact CD2-CB 3.35Å; Y385-F423 AromaticContact CD2-CD1 3.73Å; Y385-F423 HydrophobicContact CD2-CD1 3.73Å; Y385-F423 AromaticContact CD2-CD2 3.78Å; Y385-F423 HydrophobicContact CD2-CD2 3.78Å; Y385-F423 HydrophobicContact CD2-CE1 4.4Å; Y385-F423 HydrophobicContact CD2-CE2 4.46Å; Y385-F423 AromaticContact CD2-CG 3.34Å; Y385-F423 HydrophobicContact CD2-CG 3.34Å; Y385-F423 HydrophobicContact CE2-CB 3.33Å; Y385-F423 HydrophobicContact CE2-CD1 4.47Å; Y385-F423 AromaticContact CE2-CG 3.92Å; Y385-F423 HydrophobicContact CE2-CG 3.92Å; Y385-F423 HydrophobicContact CG-CB 4.19Å; Y385-F423 AromaticContact CG-CD1 3.79Å; Y385-F423 HydrophobicContact CG-CD1 3.79Å; Y385-F423 HydrophobicContact CG-CD2 4.48Å; Y385-F423 HydrophobicContact CG-CE1 4.2Å; Y385-F423 AromaticContact CG-CG 3.92Å; Y385-F423 HydrophobicContact CG-CG 3.92Å; S413-F423 PolarHBondContact N-O 3.5Å; S413-F423 VanDerWaalsContact N-O 3.08Å; S413-F423 PolarHBondContact O-N 3.04Å; T421-F423 HydrophobicContact CG2-CD1 3.99Å; T421-F423 HydrophobicContact CG2-CD2 4.05Å; T421-F423 HydrophobicContact CG2-CE1 3.51Å; T421-F423 HydrophobicContact CG2-CE2 3.57Å; T421-F423 HydrophobicContact CG2-CG 4.26Å; T421-F423 HydrophobicContact CG2-CZ 3.29Å; F423-M448 HydrophobicContact CD1-CE 3.28Å; F423-M448 HydrophobicContact CE1-CE 3.37Å; F423-F450 HydrophobicContact CD1-CE1 4.06Å; F423-F450 HydrophobicContact CE1-CD1 4.09Å; F423-F450 AromaticContact CE1-CE1 3.5Å; F423-F450 HydrophobicContact CE1-CE1 3.5Å; F423-F450 VanDerWaalsContact CE1-CE1 3.5Å; F423-F450 HydrophobicContact CE1-CZ 4.24Å; F423-F450 HydrophobicContact CZ-CE1 4.41Å
424V71.2Confident72.7Confident1 Ų132.4 Ų32.41%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-121.4130.8176.4-171.40000108.1L412 V422 M426 M448 M550 M554L412-V424 HydrophobicContact CD1-CG2 3.68Å; V422-V424 HydrophobicContact CG1-CG2 4.08Å; V424-M426 HydrophobicContact CB-CE 4.4Å; V424-M426 HydrophobicContact CB-CG 4.1Å; V424-M426 HydrophobicContact CB-SD 4.24Å; V424-M426 HydrophobicContact CG1-CG 3.69Å; V424-M426 HydrophobicContact CG1-SD 4.21Å; V424-M426 PolarHBondContact O-N 2.87Å; V424-M448 WeakPolarHBondContact O-CA 3.17Å; V424-M550 HydrophobicContact CG1-CB 3.96Å; V424-M550 HydrophobicContact CG1-CG 3.91Å; V424-M550 HydrophobicContact CG1-SD 4.2Å; V424-M554 HydrophobicContact CG1-CE 4.44Å
425W71.3Confident72.1Confident41 Ų4132.5 Ų32.516%0.15520%0.196CC..  trans-77.5115.6170.4-166-76.2000109.5M389 P409 N440 D443 V446 F615M389-W425 HydrophobicContact SD-CZ3 4.21Å; P409-W425 HydrophobicContact CB-CG 4.32Å; W425-N440 VanDerWaalsContact CZ3-ND2 3.31Å; W425-N440 WeakPolarHBondContact CZ3-ND2 3.18Å; W425-D443 HydrophobicContact CH2-CB 4.04Å; W425-D443 HydrophobicContact CZ2-CB 4.12Å; W425-V446 HydrophobicContact CD2-CB 4.48Å; W425-V446 HydrophobicContact CD2-CG2 3.96Å; W425-V446 VanDerWaalsContact CE2-CG2 3.49Å; W425-V446 HydrophobicContact CE3-CG2 4.39Å; W425-V446 HydrophobicContact CH2-CG2 3.97Å; W425-V446 HydrophobicContact CZ2-CB 4.26Å; W425-V446 HydrophobicContact CZ2-CG1 3.97Å; W425-V446 HydrophobicContact CZ2-CG2 3.5Å; W425-V446 VanDerWaalsContact CZ2-CG2 3.5Å; W425-V446 HydrophobicContact CZ3-CG2 4.4Å; W425-F615 HydrophobicContact CH2-CZ 4.49Å; W425-F615 HydrophobicContact CZ3-CZ 4.45Å
426M72.8Confident72.1Confident5 Ų531.3 Ų31.33%0.02519%0.187CC..BIsolated β-bridgetrans-129.9122.7-176.7-61.8174.9-68.200110.7V424 P429 I437 V446 Y447V424-M426 HydrophobicContact CB-CE 4.4Å; V424-M426 HydrophobicContact CB-CG 4.1Å; V424-M426 HydrophobicContact CB-SD 4.24Å; V424-M426 HydrophobicContact CG1-CG 3.69Å; V424-M426 HydrophobicContact CG1-SD 4.21Å; V424-M426 PolarHBondContact O-N 2.87Å; M426-P429 HydrophobicContact CB-CB 4.2Å; M426-P429 HydrophobicContact CE-CB 4.22Å; M426-P429 HydrophobicContact SD-CB 4.29Å; M426-I437 HydrophobicContact CE-CG1 4.44Å; M426-V446 CarbonylContact O-C 3.47Å; M426-V446 WeakPolarHBondContact O-CA 3.29Å; M426-Y447 PolarHBondContact N-O 3.42Å; M426-Y447 VanDerWaalsContact N-O 3.1Å; M426-Y447 PolarHBondContact O-N 2.78Å
427S71.4Confident72.4Confident80 Ų8031.3 Ų31.356%0.55919%0.187SC*.SBendtrans-81.1-33.9170.8510000112.4
428N77Confident73Confident137 Ų13730.4 Ų30.473%0.73318%0.177SC*.SBendtrans-127.576.7178.9-74.6-42.9000110.1
429P80Confident74Confident29 Ų2926.8 Ų26.819%0.18816%0.155CC..  trans-68.9146.6-17834.7-40.3000110M426 P431 I437 Y447 T548M426-P429 HydrophobicContact CB-CB 4.2Å; M426-P429 HydrophobicContact CE-CB 4.22Å; M426-P429 HydrophobicContact SD-CB 4.29Å; P429-P431 WeakPolarHBondContact O-CD 3.29Å; P429-I437 HydrophobicContact CB-CD1 3.86Å; P429-I437 HydrophobicContact CB-CG1 4.18Å; P429-I437 HydrophobicContact CB-CG2 3.74Å; P429-I437 HydrophobicContact CG-CG2 3.91Å; P429-Y447 HydrophobicContact CB-CD2 4.37Å; P429-Y447 HydrophobicContact CB-CG 4.39Å; P429-Y447 HydrophobicContact CG-CD1 4.29Å; P429-Y447 HydrophobicContact CG-CD2 3.35Å; P429-Y447 HydrophobicContact CG-CE2 3.78Å; P429-Y447 HydrophobicContact CG-CG 3.6Å; P429-T548 CarbonylContact C-O 3.47Å; P429-T548 WeakPolarHBondContact CA-O 3.39Å
430I83.1Confident74.7Confident75 Ų7525.9 Ų25.939%0.38515%0.148SC..  trans-105.5105.4175.1-59.3174.6000107.2I432 T548I430-I432 PolarHBondContact O-N 3.12Å; I430-T548 PolarHBondContact N-O 3.13Å
431P80Confident74.7Confident32 Ų3226 Ų2621%0.20815%0.149CC..  trans-63.4125.1178-24.637000112.1A156 K157 P429 I437A156-P431 HydrophobicContact CB-CB 4.2Å; A156-P431 VanDerWaalsContact O-CB 3.23Å; A156-P431 WeakPolarHBondContact O-CB 3.34Å; K157-P431 HydrophobicContact CG-CB 4.38Å; P429-P431 WeakPolarHBondContact O-CD 3.29Å; P431-I437 VanDerWaalsContact CA-CD1 3.43Å; P431-I437 HydrophobicContact CB-CD1 3.99Å; P431-I437 HydrophobicContact CG-CD1 3.89Å
432I71.9Confident74.6Confident31 Ų3126 Ų2616%0.15915%0.148CC..  trans-114.2157.6176.460.7174.2000109.6I430 N434 K547 T548I430-I432 PolarHBondContact O-N 3.12Å; I432-N434 VanDerWaalsContact C-N 3.26Å; I432-N434 PolarHBondContact O-N 2.65Å; I432-K547 HydrophobicContact CD1-CB 4.25Å; I432-K547 HydrophobicContact CG2-CB 4.24Å; I432-T548 HydrophobicContact CD1-CG2 3.6Å; I432-T548 HydrophobicContact CG1-CG2 3.97Å
433S66.7Low74.3Confident51 Ų5127.2 Ų27.236%0.35716%0.155SC..THydrogen-bonded Turntrans-67.8-27.6179.361.30000113.1A162A162-S433 WeakPolarHBondContact CB-O 2.98Å
434N65.8Low74Confident32 Ų3228.9 Ų28.917%0.17117%0.166CC..THydrogen-bonded Turntrans-118.952.9-169.2-63.212.2000112.7I432 R451 G504 S505I432-N434 VanDerWaalsContact C-N 3.26Å; I432-N434 PolarHBondContact O-N 2.65Å; N434-R451 PolarHBondContact O-NH1 2.58Å; N434-G504 CarbonylContact C-O 3.58Å; N434-G504 WeakPolarHBondContact CA-O 3.31Å; N434-G504 VanDerWaalsContact CB-O 3.29Å; N434-G504 WeakPolarHBondContact CB-O 3.47Å; N434-S505 PolarHBondContact ND2-OG 3.15Å
435G68.8Low73.7Confident2 Ų232.3 Ų32.32%0.02119%0.19CC..SBendtrans-171.4171.6177.400000110.6
436H77Confident73.4Confident4 Ų430.7 Ų30.72%0.01919%0.185CC..EExtended strand (participates in β ladder)trans-122.2130.5178.4-51.4-62.3000109.9S161 H164 R166 F167 F438 G449 F450 I503S161-H436 WeakPolarHBondContact OG-CA 3.3Å; S161-H436 PolarHBondContact OG-ND1 2.94Å; H164-H436 AromaticContact CD2-CE1 3.7Å; H164-H436 AromaticContact CE1-CE1 3.37Å; H164-H436 PolarHBondContact CE1-CE1 2.78Å; H164-H436 AromaticContact CE1-ND1 3.94Å; H164-H436 AromaticContact CG-CE1 3.75Å; H164-H436 AromaticContact ND1-CE1 3.54Å; H164-H436 AromaticContact NE2-CE1 3.46Å; H164-H436 PolarHBondContact NE2-CE1 2.85Å; R166-H436 PolarHBondContact NH2-CE1 2.97Å; R166-H436 VanDerWaalsContact NH2-CE1 3.33Å; R166-H436 PolarHBondContact NH2-NE2 3.16Å; F167-H436 AromaticContact CE1-CE1 3.81Å; F167-H436 AromaticContact CE1-ND1 3.99Å; F167-H436 AromaticContact CZ-CE1 3.68Å; F167-H436 AromaticContact CZ-ND1 3.39Å; F167-H436 WeakPolarHBondContact CZ-ND1 3.33Å; H436-F438 HydrophobicContact CB-CD1 4.33Å; H436-F438 HydrophobicContact CB-CE1 3.71Å; H436-F438 HydrophobicContact CB-CZ 4.13Å; H436-G449 CarbonylContact O-C 3.6Å; H436-G449 VanDerWaalsContact O-CA 3.23Å; H436-G449 WeakPolarHBondContact O-CA 2.97Å; H436-F450 HydrophobicContact CB-CB 4.21Å; H436-F450 HydrophobicContact CB-CD2 3.98Å; H436-F450 PolarHBondContact O-N 2.64Å; H436-F450 VanDerWaalsContact O-N 3.15Å; H436-I503 PolarHBondContact NE2-O 3.38Å
437I82.9Confident73Confident2 Ų231.9 Ų31.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-113.1120.6169.3-64154.8000107G160 L291 M426 P429 P431 Y447 M448G160-I437 PolarHBondContact O-N 3.22Å; L291-I437 HydrophobicContact CD1-CB 4.24Å; L291-I437 HydrophobicContact CD1-CG2 3.93Å; L291-I437 VanDerWaalsContact CD1-O 3.28Å; L291-I437 WeakPolarHBondContact CD1-O 3.38Å; M426-I437 HydrophobicContact CE-CG1 4.44Å; P429-I437 HydrophobicContact CB-CD1 3.86Å; P429-I437 HydrophobicContact CB-CG1 4.18Å; P429-I437 HydrophobicContact CB-CG2 3.74Å; P429-I437 HydrophobicContact CG-CG2 3.91Å; P431-I437 VanDerWaalsContact CA-CD1 3.43Å; P431-I437 HydrophobicContact CB-CD1 3.99Å; P431-I437 HydrophobicContact CG-CD1 3.89Å; I437-Y447 HydrophobicContact CG2-CD1 3.95Å; I437-Y447 HydrophobicContact CG2-CG 3.98Å; I437-M448 CarbonylContact C-O 3.54Å; I437-M448 VanDerWaalsContact CA-O 3.27Å; I437-M448 WeakPolarHBondContact CA-O 3.13Å
438F81.5Confident72.7Confident3 Ų328 Ų281%0.01316%0.162CC..EExtended strand (participates in β ladder)trans-112.9156.6173.3-60.4-9.6000110.9F167 S284 H436 Y447 M448 F450F167-F438 HydrophobicContact CZ-CE1 4.19Å; F167-F438 HydrophobicContact CZ-CZ 4.28Å; S284-F438 VanDerWaalsContact CB-CB 3.45Å; S284-F438 VanDerWaalsContact CB-CD1 3.41Å; S284-F438 VanDerWaalsContact CB-CG 3.49Å; H436-F438 HydrophobicContact CB-CD1 4.33Å; H436-F438 HydrophobicContact CB-CE1 3.71Å; H436-F438 HydrophobicContact CB-CZ 4.13Å; F438-Y447 CarbonylContact O-C 3.5Å; F438-Y447 WeakPolarHBondContact O-CA 3.39Å; F438-Y447 WeakPolarHBondContact O-CB 3.41Å; F438-M448 HydrophobicContact CB-CG 3.81Å; F438-M448 HydrophobicContact CB-SD 4.27Å; F438-M448 PolarHBondContact N-O 2.94Å; F438-M448 WeakPolarHBondContact O-CG 3.42Å; F438-M448 PolarHBondContact O-N 2.62Å; F438-F450 HydrophobicContact CB-CE2 3.8Å; F438-F450 HydrophobicContact CB-CZ 4.32Å; F438-F450 HydrophobicContact CD1-CE2 4.15Å; F438-F450 HydrophobicContact CD2-CD2 4.11Å; F438-F450 HydrophobicContact CD2-CE1 4.35Å; F438-F450 AromaticContact CD2-CE2 3.23Å; F438-F450 HydrophobicContact CD2-CE2 3.23Å; F438-F450 AromaticContact CD2-CZ 3.37Å; F438-F450 HydrophobicContact CD2-CZ 3.37Å; F438-F450 HydrophobicContact CE2-CD2 4.2Å; F438-F450 HydrophobicContact CE2-CE1 4.44Å; F438-F450 AromaticContact CE2-CE2 3.71Å; F438-F450 HydrophobicContact CE2-CE2 3.71Å; F438-F450 AromaticContact CE2-CZ 3.84Å; F438-F450 HydrophobicContact CE2-CZ 3.84Å; F438-F450 HydrophobicContact CG-CD2 4.27Å; F438-F450 AromaticContact CG-CE2 3.44Å; F438-F450 HydrophobicContact CG-CE2 3.44Å; F438-F450 VanDerWaalsContact CG-CE2 3.44Å; F438-F450 HydrophobicContact CG-CZ 4.02Å; F438-F450 HydrophobicContact CZ-CD2 4.47Å; F438-F450 HydrophobicContact CZ-CE2 4.34Å
439C80.8Confident71.9Confident0 Ų021.6 Ų21.60%013%0.128CC..EExtended strand (participates in β ladder)trans-58138.8164.3-66.10000109.4F280 S281 S284F280-C439 HydrophobicContact CB-CB 3.88Å; S281-C439 WeakPolarHBondContact CA-O 3.45Å; S281-C439 VanDerWaalsContact CB-O 3.29Å; S281-C439 WeakPolarHBondContact CB-O 3.24Å; S281-C439 PolarHBondContact OG-O 2.77Å; S284-C439 PolarHBondContact OG-N 3.37Å
440N77Confident70.9Confident6 Ų621 Ų213%0.03212%0.123CC..  trans-71.7137.8176.5176.4-49.4000110.3W425 I442 D443 V446W425-N440 VanDerWaalsContact CZ3-ND2 3.31Å; W425-N440 WeakPolarHBondContact CZ3-ND2 3.18Å; N440-I442 PolarHBondContact O-N 2.96Å; N440-I442 WeakPolarHBondContact OD1-CB 3.45Å; N440-I442 PolarHBondContact OD1-N 3.03Å; N440-D443 WeakPolarHBondContact CB-O 3.19Å; N440-D443 PolarHBondContact OD1-N 3.43Å; N440-D443 VanDerWaalsContact OD1-N 3.08Å; N440-V446 HydrophobicContact CB-CG2 3.48Å; N440-V446 VanDerWaalsContact CB-CG2 3.48Å; N440-V446 WeakPolarHBondContact CB-O 2.99Å; N440-V446 PolarHBondContact N-O 2.83Å; N440-V446 WeakPolarHBondContact ND2-CG2 3.48Å
441P70.3Confident69.8Low1 Ų118.9 Ų18.91%0.00611%0.11CC..SBendtrans-77.15.6-174.234-39.9000114.2F351 P382F351-P441 WeakPolarHBondContact CB-O 3.4Å; F351-P441 WeakPolarHBondContact CD1-O 3.43Å; F351-P441 WeakPolarHBondContact CD2-O 3.33Å; F351-P441 WeakPolarHBondContact CG-O 3.5Å; P382-P441 HydrophobicContact CB-CB 3.84Å; P382-P441 HydrophobicContact CB-CG 3.71Å; P382-P441 WeakPolarHBondContact O-CG 3.14Å
442I68.3Low68.6Low3 Ų318.5 Ų18.52%0.01511%0.106CC..SBendtrans-128.5-47.7-179-56.5163.6000110.2F351 L386 M389 N440 F610 L613F351-I442 VanDerWaalsContact CE1-CA 3.42Å; F351-I442 WeakPolarHBondContact CE1-O 3.27Å; L386-I442 HydrophobicContact CB-CD1 4.33Å; L386-I442 HydrophobicContact CD1-CD1 3.27Å; L386-I442 HydrophobicContact CD1-CG1 3.88Å; L386-I442 HydrophobicContact CG-CD1 4.32Å; M389-I442 HydrophobicContact CE-CD1 3.23Å; M389-I442 HydrophobicContact SD-CD1 4.43Å; N440-I442 PolarHBondContact O-N 2.96Å; N440-I442 WeakPolarHBondContact OD1-CB 3.45Å; N440-I442 PolarHBondContact OD1-N 3.03Å; I442-F610 HydrophobicContact CG2-CZ 4.4Å; I442-F610 WeakPolarHBondContact O-CE2 3.49Å; I442-F610 VanDerWaalsContact O-CZ 3.32Å; I442-F610 WeakPolarHBondContact O-CZ 3.26Å; I442-L613 HydrophobicContact CD1-CD1 3.8Å; I442-L613 HydrophobicContact CG1-CD1 3.99Å; I442-L613 HydrophobicContact CG2-CD1 3.86Å
443D68.1Low67.8Low34 Ų3417.3 Ų17.318%0.18210%0.101CC..  trans-119.3104.9-178-177.8-8.6000109.1W425 N440 S445 V446 F610W425-D443 HydrophobicContact CH2-CB 4.04Å; W425-D443 HydrophobicContact CZ2-CB 4.12Å; N440-D443 WeakPolarHBondContact CB-O 3.19Å; N440-D443 PolarHBondContact OD1-N 3.43Å; N440-D443 VanDerWaalsContact OD1-N 3.08Å; D443-S445 PolarHBondContact O-N 3.32Å; D443-S445 VanDerWaalsContact OD1-CB 3.22Å; D443-S445 WeakPolarHBondContact OD1-CB 3.23Å; D443-S445 PolarHBondContact OD1-N 3.48Å; D443-S445 PolarHBondContact OD1-OG 3.26Å; D443-S445 PolarHBondContact OD2-OG 2.77Å; D443-S445 VanDerWaalsContact OD2-OG 3.09Å; D443-V446 HydrophobicContact CB-CG2 3.96Å; D443-V446 WeakPolarHBondContact O-CG2 3.23Å; D443-V446 PolarHBondContact O-N 3.16Å; D443-V446 VanDerWaalsContact O-N 3.13Å; D443-F610 HydrophobicContact CB-CZ 4.28Å
444P67.7Low67.6Low37 Ų3715.4 Ų15.424%0.249%0.087CC..THydrogen-bonded Turntrans-65.1-9.2-178.928.5-35000113.2H294 F352 V446H294-P444 PolarHBondContact CE1-O 3.24Å; H294-P444 VanDerWaalsContact CE1-O 3.29Å; F352-P444 HydrophobicContact CE1-CG 4.49Å; P444-V446 VanDerWaalsContact C-N 3.31Å
445S64.4Low67.5Low74 Ų7416.9 Ų16.952%0.51710%0.099SC..THydrogen-bonded Turntrans-80.5-10176.177.30000113.9D443D443-S445 PolarHBondContact O-N 3.32Å; D443-S445 VanDerWaalsContact OD1-CB 3.22Å; D443-S445 WeakPolarHBondContact OD1-CB 3.23Å; D443-S445 PolarHBondContact OD1-N 3.48Å; D443-S445 PolarHBondContact OD1-OG 3.26Å; D443-S445 PolarHBondContact OD2-OG 2.77Å; D443-S445 VanDerWaalsContact OD2-OG 3.09Å
446V65.8Low67.6Low6 Ų617.8 Ų17.84%0.03611%0.105CC..SBendtrans-127.5166.9-177.9-55.20000112W425 M426 N440 D443 P444W425-V446 HydrophobicContact CD2-CB 4.48Å; W425-V446 HydrophobicContact CD2-CG2 3.96Å; W425-V446 VanDerWaalsContact CE2-CG2 3.49Å; W425-V446 HydrophobicContact CE3-CG2 4.39Å; W425-V446 HydrophobicContact CH2-CG2 3.97Å; W425-V446 HydrophobicContact CZ2-CB 4.26Å; W425-V446 HydrophobicContact CZ2-CG1 3.97Å; W425-V446 HydrophobicContact CZ2-CG2 3.5Å; W425-V446 VanDerWaalsContact CZ2-CG2 3.5Å; W425-V446 HydrophobicContact CZ3-CG2 4.4Å; M426-V446 CarbonylContact O-C 3.47Å; M426-V446 WeakPolarHBondContact O-CA 3.29Å; N440-V446 HydrophobicContact CB-CG2 3.48Å; N440-V446 VanDerWaalsContact CB-CG2 3.48Å; N440-V446 WeakPolarHBondContact CB-O 2.99Å; N440-V446 PolarHBondContact N-O 2.83Å; N440-V446 WeakPolarHBondContact ND2-CG2 3.48Å; D443-V446 HydrophobicContact CB-CG2 3.96Å; D443-V446 WeakPolarHBondContact O-CG2 3.23Å; D443-V446 PolarHBondContact O-N 3.16Å; D443-V446 VanDerWaalsContact O-N 3.13Å; P444-V446 VanDerWaalsContact C-N 3.31Å
447Y64.6Low67.8Low30 Ų3017.6 Ų17.612%0.11810%0.104CC..EExtended strand (participates in β ladder)trans-128.6161-173.8-55.9-89.5000111.8L291 M426 P429 I437 F438L291-Y447 HydrophobicContact CB-CE1 3.94Å; L291-Y447 HydrophobicContact CD1-CD1 4.4Å; L291-Y447 HydrophobicContact CD1-CE1 4.42Å; L291-Y447 PolarHBondContact O-OH 2.56Å; M426-Y447 PolarHBondContact N-O 3.42Å; M426-Y447 VanDerWaalsContact N-O 3.1Å; M426-Y447 PolarHBondContact O-N 2.78Å; P429-Y447 HydrophobicContact CB-CD2 4.37Å; P429-Y447 HydrophobicContact CB-CG 4.39Å; P429-Y447 HydrophobicContact CG-CD1 4.29Å; P429-Y447 HydrophobicContact CG-CD2 3.35Å; P429-Y447 HydrophobicContact CG-CE2 3.78Å; P429-Y447 HydrophobicContact CG-CG 3.6Å; I437-Y447 HydrophobicContact CG2-CD1 3.95Å; I437-Y447 HydrophobicContact CG2-CG 3.98Å; F438-Y447 CarbonylContact O-C 3.5Å; F438-Y447 WeakPolarHBondContact O-CA 3.39Å; F438-Y447 WeakPolarHBondContact O-CB 3.41Å
448M65.9Low67.6Low0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-126.6139.8-178.159.2-175.2-50.900112P382 Y385 F423 V424 I437 F438 F450P382-M448 HydrophobicContact CB-CE 4.29Å; P382-M448 HydrophobicContact CB-SD 4.11Å; P382-M448 HydrophobicContact CG-CE 4.28Å; P382-M448 HydrophobicContact CG-SD 4.06Å; Y385-M448 HydrophobicContact CD1-CE 4.13Å; Y385-M448 HydrophobicContact CG-CE 4.27Å; F423-M448 HydrophobicContact CD1-CE 3.28Å; F423-M448 HydrophobicContact CE1-CE 3.37Å; V424-M448 WeakPolarHBondContact O-CA 3.17Å; I437-M448 CarbonylContact C-O 3.54Å; I437-M448 VanDerWaalsContact CA-O 3.27Å; I437-M448 WeakPolarHBondContact CA-O 3.13Å; F438-M448 HydrophobicContact CB-CG 3.81Å; F438-M448 HydrophobicContact CB-SD 4.27Å; F438-M448 PolarHBondContact N-O 2.94Å; F438-M448 WeakPolarHBondContact O-CG 3.42Å; F438-M448 PolarHBondContact O-N 2.62Å; M448-F450 HydrophobicContact CB-CE2 4.36Å; M448-F450 HydrophobicContact CB-CZ 4.49Å; M448-F450 HydrophobicContact CE-CE1 3.63Å; M448-F450 HydrophobicContact CE-CE2 4.02Å; M448-F450 HydrophobicContact CE-CZ 3.12Å; M448-F450 HydrophobicContact CG-CE2 3.62Å; M448-F450 HydrophobicContact CG-CZ 3.69Å; M448-F450 HydrophobicContact SD-CE2 4.16Å; M448-F450 HydrophobicContact SD-CZ 3.61Å
449G58.9Low67.4Low2 Ų222.6 Ų22.62%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-96.4159179.100000114.2V422 H436V422-G449 CarbonylContact C-O 3.54Å; V422-G449 CarbonylContact O-C 3.58Å; H436-G449 CarbonylContact O-C 3.6Å; H436-G449 VanDerWaalsContact O-CA 3.23Å; H436-G449 WeakPolarHBondContact O-CA 2.97Å
450F58.6Low67.4Low15 Ų1522.8 Ų22.87%0.06613%0.127CC..EExtended strand (participates in β ladder)trans-150.1146175.1-49.4-108.5000113.1N381 T421 F423 H436 F438 M448N381-F450 HydrophobicContact CB-CD1 4.09Å; N381-F450 HydrophobicContact CB-CE1 3.51Å; T421-F450 HydrophobicContact CG2-CB 4.18Å; T421-F450 HydrophobicContact CG2-CD1 3.23Å; T421-F450 HydrophobicContact CG2-CE1 3.93Å; T421-F450 HydrophobicContact CG2-CG 4.03Å; F423-F450 HydrophobicContact CD1-CE1 4.06Å; F423-F450 HydrophobicContact CE1-CD1 4.09Å; F423-F450 AromaticContact CE1-CE1 3.5Å; F423-F450 HydrophobicContact CE1-CE1 3.5Å; F423-F450 VanDerWaalsContact CE1-CE1 3.5Å; F423-F450 HydrophobicContact CE1-CZ 4.24Å; F423-F450 HydrophobicContact CZ-CE1 4.41Å; H436-F450 HydrophobicContact CB-CB 4.21Å; H436-F450 HydrophobicContact CB-CD2 3.98Å; H436-F450 PolarHBondContact O-N 2.64Å; H436-F450 VanDerWaalsContact O-N 3.15Å; F438-F450 HydrophobicContact CB-CE2 3.8Å; F438-F450 HydrophobicContact CB-CZ 4.32Å; F438-F450 HydrophobicContact CD1-CE2 4.15Å; F438-F450 HydrophobicContact CD2-CD2 4.11Å; F438-F450 HydrophobicContact CD2-CE1 4.35Å; F438-F450 AromaticContact CD2-CE2 3.23Å; F438-F450 HydrophobicContact CD2-CE2 3.23Å; F438-F450 AromaticContact CD2-CZ 3.37Å; F438-F450 HydrophobicContact CD2-CZ 3.37Å; F438-F450 HydrophobicContact CE2-CD2 4.2Å; F438-F450 HydrophobicContact CE2-CE1 4.44Å; F438-F450 AromaticContact CE2-CE2 3.71Å; F438-F450 HydrophobicContact CE2-CE2 3.71Å; F438-F450 AromaticContact CE2-CZ 3.84Å; F438-F450 HydrophobicContact CE2-CZ 3.84Å; F438-F450 HydrophobicContact CG-CD2 4.27Å; F438-F450 AromaticContact CG-CE2 3.44Å; F438-F450 HydrophobicContact CG-CE2 3.44Å; F438-F450 VanDerWaalsContact CG-CE2 3.44Å; F438-F450 HydrophobicContact CG-CZ 4.02Å; F438-F450 HydrophobicContact CZ-CD2 4.47Å; F438-F450 HydrophobicContact CZ-CE2 4.34Å; M448-F450 HydrophobicContact CB-CE2 4.36Å; M448-F450 HydrophobicContact CB-CZ 4.49Å; M448-F450 HydrophobicContact CE-CE1 3.63Å; M448-F450 HydrophobicContact CE-CE2 4.02Å; M448-F450 HydrophobicContact CE-CZ 3.12Å; M448-F450 HydrophobicContact CG-CE2 3.62Å; M448-F450 HydrophobicContact CG-CZ 3.69Å; M448-F450 HydrophobicContact SD-CE2 4.16Å; M448-F450 HydrophobicContact SD-CZ 3.61Å
451R61.1Low68Low31 Ų3125 Ų2512%0.11714%0.135CC..  trans-162.8135.6171.5-93.7-116.2-87.6-124.16.4112.2D420 N434 A540 S544D420-R451 CarbonylContact C-O 3.46Å; D420-R451 CarbonylContact O-C 3.24Å; N434-R451 PolarHBondContact O-NH1 2.58Å; R451-A540 PolarHBondContact NH2-O 2.86Å; R451-S544 PolarHBondContact NE-OG 3.37Å
452N54.4Low68.8Low24 Ų2429.6 Ų29.613%0.12815%0.152CC..  trans-84.8168.9-168.1-45.8-92000112.9S419 D420 E502 I503S419-N452 WeakPolarHBondContact CB-OD1 3.12Å; S419-N452 PolarHBondContact OG-OD1 2.7Å; D420-N452 VanDerWaalsContact O-CA 3.27Å; D420-N452 WeakPolarHBondContact O-CA 3.28Å; N452-E502 WeakPolarHBondContact CA-OE1 3.36Å; N452-E502 VanDerWaalsContact CB-OE1 3.32Å; N452-E502 WeakPolarHBondContact CB-OE1 3.37Å; N452-I503 HydrophobicContact CB-CB 4.06Å; N452-I503 HydrophobicContact CB-CD1 4.17Å; N452-I503 HydrophobicContact CB-CG2 4.46Å; N452-I503 VanDerWaalsContact CG-CB 3.4Å; N452-I503 WeakPolarHBondContact ND2-CB 3.2Å; N452-I503 WeakPolarHBondContact ND2-CG2 3.32Å; N452-I503 VanDerWaalsContact OD1-CG2 3.28Å; N452-I503 WeakPolarHBondContact OD1-CG2 3.45Å
453G55.7Low69.7Low6 Ų633.9 Ų33.96%0.06217%0.168CC..  trans-172.3-19.9-17200000122.1D420 Q537D420-G453 VanDerWaalsContact N-N 3.16Å; G453-Q537 PolarHBondContact O-NE2 2.9Å
454D61.2Low70.6Confident11 Ų1132.7 Ų32.76%0.05916%0.162CC..Hα-helixtrans-81.8-26.8-171.6169.766.2000115.5G417 T418 T456 R457 K458G417-D454 WeakPolarHBondContact O-CB 3.18Å; T418-D454 WeakPolarHBondContact CA-OD2 3.16Å; T418-D454 WeakPolarHBondContact O-CB 3.33Å; T418-D454 PolarHBondContact O-N 3.46Å; D454-T456 VanDerWaalsContact C-N 3.26Å; D454-T456 PolarHBondContact O-N 3.16Å; D454-R457 PolarHBondContact O-N 2.81Å; D454-R457 IonicContact OD1-NE 3.86Å; D454-R457 IonicContact OD1-NH2 2.63Å; D454-K458 PolarHBondContact O-N 3.45Å; D454-K458 WeakPolarHBondContact OD2-CD 3.27Å; D454-K458 WeakPolarHBondContact OD2-CE 3.48Å; D454-K458 IonicContact OD2-NZ 3.95Å; D454-K458 PolarHBondContact OD2-NZ 2.86Å
455C64.6Low71.8Confident63 Ų6332.9 Ų32.943%0.42616%0.163SC..Hα-helixtrans-54.9-42.5178.3-68.20000112.2R457 K458 E459C455-R457 PolarHBondContact O-N 3.37Å; C455-K458 PolarHBondContact O-N 3.21Å; C455-E459 WeakPolarHBondContact O-CB 3.27Å; C455-E459 PolarHBondContact O-N 2.96Å; C455-E459 VanDerWaalsContact O-N 3.08Å
456T71.3Confident73Confident21 Ų2130.7 Ų30.713%0.12915%0.153CC..Hα-helixtrans-62.4-39177.1-54.40000112.6D454 A460 F497 V533D454-T456 VanDerWaalsContact C-N 3.26Å; D454-T456 PolarHBondContact O-N 3.16Å; T456-A460 VanDerWaalsContact O-CB 3.28Å; T456-A460 WeakPolarHBondContact O-CB 3.42Å; T456-A460 PolarHBondContact O-N 2.89Å; T456-F497 HydrophobicContact CG2-CB 3.54Å; T456-F497 HydrophobicContact CG2-CG 4.48Å; T456-F497 WeakPolarHBondContact CG2-O 3.27Å; T456-F497 PolarHBondContact OG1-O 3.41Å; T456-V533 HydrophobicContact CG2-CG1 4.08Å
457R80.1Confident73.9Confident1 Ų139.8 Ų39.80%0.00419%0.186CC..Hα-helixtrans-69.8-45179-67.1-170-66.6-90.54.1111.9D420 D454 C455 E459 A460 R461 W471 I534 Q537D420-R457 IonicContact OD1-CZ 2.97Å; D420-R457 IonicContact OD1-NH1 3.24Å; D420-R457 PolarHBondContact OD1-NH1 3.01Å; D420-R457 IonicContact OD1-NH2 3.61Å; D420-R457 PolarHBondContact OD1-NH2 2.82Å; D420-R457 IonicContact OD2-CZ 3.97Å; D420-R457 IonicContact OD2-NH1 3.73Å; D420-R457 PolarHBondContact OD2-NH1 2.85Å; D420-R457 IonicContact OD2-NH2 2.65Å; D454-R457 PolarHBondContact O-N 2.81Å; D454-R457 IonicContact OD1-NE 3.86Å; D454-R457 IonicContact OD1-NH2 2.63Å; C455-R457 PolarHBondContact O-N 3.37Å; R457-E459 VanDerWaalsContact C-N 3.26Å; R457-E459 PolarHBondContact O-N 3.3Å; R457-A460 PolarHBondContact O-N 3.01Å; R457-R461 WeakPolarHBondContact O-CB 3.47Å; R457-R461 PolarHBondContact O-N 3.47Å; R457-W471 HydrophobicContact CB-CH2 3.84Å; R457-W471 HydrophobicContact CB-CZ3 4.05Å; R457-I534 HydrophobicContact CG-CD1 4.05Å; R457-Q537 VanDerWaalsContact CD-OE1 3.28Å
458K79.3Confident75Confident89 Ų8946 Ų4639%0.38722%0.222SC..Hα-helixtrans-57.9-43.3177.8-79.7174.1171.2157.70111.3D454 C455 R462 W471D454-K458 PolarHBondContact O-N 3.45Å; D454-K458 WeakPolarHBondContact OD2-CD 3.27Å; D454-K458 WeakPolarHBondContact OD2-CE 3.48Å; D454-K458 IonicContact OD2-NZ 3.95Å; D454-K458 PolarHBondContact OD2-NZ 2.86Å; C455-K458 PolarHBondContact O-N 3.21Å; K458-R462 WeakPolarHBondContact O-CB 3.04Å; K458-R462 PolarHBondContact O-N 3.19Å; K458-W471 HydrophobicContact CG-CH2 3.97Å; K458-W471 HydrophobicContact CG-CZ2 3.8Å
459E76.7Confident76.1Confident21 Ų2146.3 Ų46.310%0.09822%0.224CC..Hα-helixtrans-72.2-43.3179.5-177.851.9-130.400112.5C455 R457 R461 R462 R463 E499C455-E459 WeakPolarHBondContact O-CB 3.27Å; C455-E459 PolarHBondContact O-N 2.96Å; C455-E459 VanDerWaalsContact O-N 3.08Å; R457-E459 VanDerWaalsContact C-N 3.26Å; R457-E459 PolarHBondContact O-N 3.3Å; E459-R461 VanDerWaalsContact C-N 3.32Å; E459-R461 PolarHBondContact O-N 2.82Å; E459-R462 WeakPolarHBondContact O-CB 3.41Å; E459-R462 PolarHBondContact O-N 2.72Å; E459-R462 IonicContact OE1-CZ 2.6Å; E459-R462 IonicContact OE1-NE 2.74Å; E459-R462 PolarHBondContact OE1-NE 3.33Å; E459-R462 IonicContact OE1-NH1 3.22Å; E459-R462 IonicContact OE1-NH2 2.98Å; E459-R462 PolarHBondContact OE1-NH2 3.29Å; E459-R462 IonicContact OE2-CZ 3.25Å; E459-R462 VanDerWaalsContact OE2-CZ 3.25Å; E459-R462 IonicContact OE2-NE 2.65Å; E459-R462 PolarHBondContact OE2-NE 2.92Å; E459-R462 IonicContact OE2-NH2 2.63Å; E459-R462 PolarHBondContact OE2-NH2 3.42Å; E459-R463 WeakPolarHBondContact O-CB 3.26Å; E459-R463 PolarHBondContact O-N 2.89Å; E459-E499 VanDerWaalsContact CD-OE2 3.32Å; E459-E499 HydrophobicContact CG-CG 4.33Å; E459-E499 WeakPolarHBondContact CG-OE1 3.35Å; E459-E499 WeakPolarHBondContact CG-OE2 3.32Å
460A82Confident77.7Confident3 Ų349.7 Ų49.73%0.02525%0.245CC..Hα-helixtrans-56.1-45.817300000111.6T456 R457 R462 R463 L464 F474 V533T456-A460 VanDerWaalsContact O-CB 3.28Å; T456-A460 WeakPolarHBondContact O-CB 3.42Å; T456-A460 PolarHBondContact O-N 2.89Å; R457-A460 PolarHBondContact O-N 3.01Å; A460-R462 PolarHBondContact O-N 2.89Å; A460-R463 PolarHBondContact O-N 2.93Å; A460-L464 VanDerWaalsContact O-CB 3.22Å; A460-L464 WeakPolarHBondContact O-CB 3.44Å; A460-L464 VanDerWaalsContact O-CG 3.32Å; A460-L464 WeakPolarHBondContact O-CG 3.24Å; A460-L464 PolarHBondContact O-N 2.98Å; A460-F474 HydrophobicContact CB-CE2 3.92Å; A460-F474 HydrophobicContact CB-CZ 4Å; A460-V533 HydrophobicContact CB-CB 4.32Å; A460-V533 HydrophobicContact CB-CG1 3.93Å; A460-V533 HydrophobicContact CB-CG2 3.91Å
461R89.1Confident79.1Confident53 Ų5353.4 Ų53.420%0.226%0.258CS..Hα-helixtrans-57.1-49.3172.3177.7-170.381.4157.416.7111.7R457 E459 R463 C465 G466 A469 W471 F474R457-R461 WeakPolarHBondContact O-CB 3.47Å; R457-R461 PolarHBondContact O-N 3.47Å; E459-R461 VanDerWaalsContact C-N 3.32Å; E459-R461 PolarHBondContact O-N 2.82Å; R461-R463 VanDerWaalsContact C-N 3.31Å; R461-R463 PolarHBondContact O-N 2.84Å; R461-C465 WeakPolarHBondContact O-CA 3.3Å; R461-C465 WeakPolarHBondContact O-CB 3.38Å; R461-C465 PolarHBondContact O-N 3.25Å; R461-G466 PolarHBondContact O-N 3.36Å; R461-A469 HydrophobicContact CG-CB 4.22Å; R461-A469 VanDerWaalsContact CZ-O 3.24Å; R461-A469 PolarHBondContact NE-O 3.2Å; R461-A469 PolarHBondContact NH1-O 2.89Å; R461-W471 HydrophobicContact CB-CZ3 4.31Å; R461-F474 HydrophobicContact CB-CB 4.13Å; R461-F474 HydrophobicContact CB-CD2 3.88Å; R461-F474 HydrophobicContact CB-CE2 4.45Å; R461-F474 HydrophobicContact CB-CG 3.96Å; R461-F474 HydrophobicContact CG-CB 3.87Å; R461-F474 HydrophobicContact CG-CD2 4.45Å; R461-F474 HydrophobicContact CG-CG 4.27Å
462R86.4Confident80.6Confident97 Ų9755 Ų5537%0.36627%0.274SS..Hα-helixtrans-59-42.6-179-167.3-173.664.678.1-13.4111.8K458 E459 A460 G466 R467K458-R462 WeakPolarHBondContact O-CB 3.04Å; K458-R462 PolarHBondContact O-N 3.19Å; E459-R462 WeakPolarHBondContact O-CB 3.41Å; E459-R462 PolarHBondContact O-N 2.72Å; E459-R462 IonicContact OE1-CZ 2.6Å; E459-R462 IonicContact OE1-NE 2.74Å; E459-R462 PolarHBondContact OE1-NE 3.33Å; E459-R462 IonicContact OE1-NH1 3.22Å; E459-R462 IonicContact OE1-NH2 2.98Å; E459-R462 PolarHBondContact OE1-NH2 3.29Å; E459-R462 IonicContact OE2-CZ 3.25Å; E459-R462 VanDerWaalsContact OE2-CZ 3.25Å; E459-R462 IonicContact OE2-NE 2.65Å; E459-R462 PolarHBondContact OE2-NE 2.92Å; E459-R462 IonicContact OE2-NH2 2.63Å; E459-R462 PolarHBondContact OE2-NH2 3.42Å; A460-R462 PolarHBondContact O-N 2.89Å; R462-G466 CarbonylContact O-C 3.51Å; R462-G466 WeakPolarHBondContact O-CA 3.25Å; R462-G466 PolarHBondContact O-N 3Å; R462-R467 HydrophobicContact CG-CB 4.4Å; R462-R467 HydrophobicContact CG-CG 3.84Å
463R87.1Confident82.5Confident93 Ų9358.6 Ų58.635%0.35129%0.29SS..Hα-helixtrans-78.7-41.7-176.2-174.9164.755.767.612.5112.8E459 A460 R461 E499 Y511 E529E459-R463 WeakPolarHBondContact O-CB 3.26Å; E459-R463 PolarHBondContact O-N 2.89Å; A460-R463 PolarHBondContact O-N 2.93Å; R461-R463 VanDerWaalsContact C-N 3.31Å; R461-R463 PolarHBondContact O-N 2.84Å; R463-E499 IonicContact NE-OE1 2.64Å; R463-Y511 PolarHBondContact NH2-OH 3.36Å; R463-E529 IonicContact CZ-OE1 2.64Å; R463-E529 IonicContact NH1-OE1 3.97Å; R463-E529 PolarHBondContact NH1-OE1 2.93Å; R463-E529 IonicContact NH1-OE2 3.33Å; R463-E529 PolarHBondContact NH1-OE2 2.86Å; R463-E529 IonicContact NH2-OE1 3.06Å; R463-E529 PolarHBondContact NH2-OE1 3.04Å
464L88.5Confident84.3Confident10 Ų1058.5 Ų58.55%0.05229%0.288CS..Hα-helixtrans-84.5-40.5-174.8-65.3175.7000113.1A460 F474 L477 K526 E529 A530A460-L464 VanDerWaalsContact O-CB 3.22Å; A460-L464 WeakPolarHBondContact O-CB 3.44Å; A460-L464 VanDerWaalsContact O-CG 3.32Å; A460-L464 WeakPolarHBondContact O-CG 3.24Å; A460-L464 PolarHBondContact O-N 2.98Å; L464-F474 HydrophobicContact CD1-CE2 4.2Å; L464-L477 HydrophobicContact CB-CD2 3.86Å; L464-L477 HydrophobicContact CD1-CD2 4.46Å; L464-K526 HydrophobicContact CD2-CB 4.3Å; L464-K526 HydrophobicContact CD2-CG 4.19Å; L464-K526 WeakPolarHBondContact O-CD 3.32Å; L464-K526 WeakPolarHBondContact O-CE 3.48Å; L464-K526 PolarHBondContact O-NZ 3.46Å; L464-E529 HydrophobicContact CD1-CB 4.04Å; L464-E529 HydrophobicContact CD1-CG 4.43Å; L464-E529 HydrophobicContact CD2-CB 4.27Å; L464-E529 WeakPolarHBondContact CD2-OE1 3.24Å; L464-A530 HydrophobicContact CD1-CB 3.93Å
465C92.2Very high85.8Confident40 Ų4060.1 Ų60.127%0.2730%0.296SS..THydrogen-bonded Turntrans-105-18.7-175.1-53.10000113.2R461 A469R461-C465 WeakPolarHBondContact O-CA 3.3Å; R461-C465 WeakPolarHBondContact O-CB 3.38Å; R461-C465 PolarHBondContact O-N 3.25Å; C465-A469 HydrophobicContact CB-CB 3.3Å
466G88.7Confident87.2Confident29 Ų2961.4 Ų61.430%0.29930%0.298SS..  trans108.7163.3-179.300000113.9R461 R462 N468 A469R461-G466 PolarHBondContact O-N 3.36Å; R462-G466 CarbonylContact O-C 3.51Å; R462-G466 WeakPolarHBondContact O-CA 3.25Å; R462-G466 PolarHBondContact O-N 3Å; G466-N468 VanDerWaalsContact C-N 3.29Å; G466-N468 PolarHBondContact O-N 3.1Å; G466-A469 VanDerWaalsContact O-CB 3.26Å; G466-A469 WeakPolarHBondContact O-CB 3.4Å; G466-A469 PolarHBondContact O-N 3.45Å; G466-A469 VanDerWaalsContact O-N 3.12Å
467R85.5Confident88.3Confident196 Ų19661.9 Ų61.974%0.7430%0.3SS*.THydrogen-bonded Turntrans-59.5-35.2-172.2-73.3-175.2178.6179.80.6114.8R462R462-R467 HydrophobicContact CG-CB 4.4Å; R462-R467 HydrophobicContact CG-CG 3.84Å
468N88.7Confident89Confident161 Ų16161.9 Ų61.986%0.86130%0.3SS*.THydrogen-bonded Turntrans-99.210.5-177.5-61.3-19.6000112.6G466G466-N468 VanDerWaalsContact C-N 3.29Å; G466-N468 PolarHBondContact O-N 3.1Å
469A88.3Confident89.7Confident6 Ų663.8 Ų63.85%0.0531%0.31CS..  trans-65.6139.7-17800000111.8R461 C465 G466R461-A469 HydrophobicContact CG-CB 4.22Å; R461-A469 VanDerWaalsContact CZ-O 3.24Å; R461-A469 PolarHBondContact NE-O 3.2Å; R461-A469 PolarHBondContact NH1-O 2.89Å; C465-A469 HydrophobicContact CB-CB 3.3Å; G466-A469 VanDerWaalsContact O-CB 3.26Å; G466-A469 WeakPolarHBondContact O-CB 3.4Å; G466-A469 PolarHBondContact O-N 3.45Å; G466-A469 VanDerWaalsContact O-N 3.12Å
470T91.7Very high90.5Very high74 Ų7466.3 Ų66.345%0.45433%0.33SS..  trans-75163.9172.869.40000110.3S472 Q473T470-S472 VanDerWaalsContact C-N 3.29Å; T470-Q473 PolarHBondContact O-N 3.09Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.46Å; T470-Q473 PolarHBondContact OG1-N 2.96Å
471W89.5Confident90.9Very high92 Ų9266.5 Ų66.535%0.34833%0.332SS..Hα-helixtrans-63.6-37.8171.1-75.3113.1000111.5R457 K458 R461 Q473 F474 E475R457-W471 HydrophobicContact CB-CH2 3.84Å; R457-W471 HydrophobicContact CB-CZ3 4.05Å; K458-W471 HydrophobicContact CG-CH2 3.97Å; K458-W471 HydrophobicContact CG-CZ2 3.8Å; R461-W471 HydrophobicContact CB-CZ3 4.31Å; W471-Q473 VanDerWaalsContact C-N 3.31Å; W471-Q473 PolarHBondContact O-N 3.35Å; W471-F474 HydrophobicContact CE3-CD1 4.27Å; W471-F474 HydrophobicContact CZ3-CD1 4.25Å; W471-F474 WeakPolarHBondContact O-CB 3.35Å; W471-F474 PolarHBondContact O-N 3.48Å; W471-E475 WeakPolarHBondContact O-CB 3.35Å; W471-E475 VanDerWaalsContact O-CG 3.29Å; W471-E475 WeakPolarHBondContact O-CG 3.35Å; W471-E475 PolarHBondContact O-N 2.79Å
472S92.2Very high91.1Very high65 Ų6567.4 Ų67.446%0.45534%0.344SS..Hα-helixtrans-54-44.5174.7-170.20000112.3T470 F474 E475 D476T470-S472 VanDerWaalsContact C-N 3.29Å; S472-F474 VanDerWaalsContact C-N 3.27Å; S472-F474 PolarHBondContact O-N 3.12Å; S472-E475 WeakPolarHBondContact O-CB 3.4Å; S472-E475 PolarHBondContact O-N 3.06Å; S472-E475 VanDerWaalsContact O-N 3.12Å; S472-D476 PolarHBondContact O-N 3.12Å
473Q93.2Very high91.3Very high99 Ų9964.5 Ų64.546%0.46334%0.338SS..Hα-helixtrans-65.3-29.9178.7-71.9174-56.800113.6T470 W471 L477T470-Q473 PolarHBondContact O-N 3.09Å; T470-Q473 WeakPolarHBondContact OG1-CG 3.46Å; T470-Q473 PolarHBondContact OG1-N 2.96Å; W471-Q473 VanDerWaalsContact C-N 3.31Å; W471-Q473 PolarHBondContact O-N 3.35Å; Q473-L477 PolarHBondContact O-N 3.26Å
474F93.2Very high91.2Very high4 Ų460.3 Ų60.32%0.01832%0.323CS..Hα-helixtrans-78.1-35.6173.4-179.3-102.2000111.5A460 R461 L464 W471 S472 L477 V478 A530 I534A460-F474 HydrophobicContact CB-CE2 3.92Å; A460-F474 HydrophobicContact CB-CZ 4Å; R461-F474 HydrophobicContact CB-CB 4.13Å; R461-F474 HydrophobicContact CB-CD2 3.88Å; R461-F474 HydrophobicContact CB-CE2 4.45Å; R461-F474 HydrophobicContact CB-CG 3.96Å; R461-F474 HydrophobicContact CG-CB 3.87Å; R461-F474 HydrophobicContact CG-CD2 4.45Å; R461-F474 HydrophobicContact CG-CG 4.27Å; L464-F474 HydrophobicContact CD1-CE2 4.2Å; W471-F474 HydrophobicContact CE3-CD1 4.27Å; W471-F474 HydrophobicContact CZ3-CD1 4.25Å; W471-F474 WeakPolarHBondContact O-CB 3.35Å; W471-F474 PolarHBondContact O-N 3.48Å; S472-F474 VanDerWaalsContact C-N 3.27Å; S472-F474 PolarHBondContact O-N 3.12Å; F474-L477 WeakPolarHBondContact O-CB 3.46Å; F474-L477 PolarHBondContact O-N 2.87Å; F474-V478 HydrophobicContact CD1-CG2 4.26Å; F474-V478 HydrophobicContact CE1-CG2 3.96Å; F474-V478 HydrophobicContact CZ-CG2 4.26Å; F474-V478 WeakPolarHBondContact O-CG2 3.24Å; F474-V478 PolarHBondContact O-N 3.24Å; F474-A530 HydrophobicContact CD2-CB 4.4Å; F474-A530 HydrophobicContact CE2-CB 3.85Å; F474-A530 HydrophobicContact CZ-CB 4.21Å; F474-I534 HydrophobicContact CE1-CD1 3.88Å; F474-I534 HydrophobicContact CE1-CG1 4.1Å
475E94Very high91.2Very high46 Ų4659.9 Ų59.922%0.21532%0.321CS..Hα-helixtrans-63.4-47.5175.1-74.6174.716500111.3W471 S472 L477 V478 E479 S566 I568W471-E475 WeakPolarHBondContact O-CB 3.35Å; W471-E475 VanDerWaalsContact O-CG 3.29Å; W471-E475 WeakPolarHBondContact O-CG 3.35Å; W471-E475 PolarHBondContact O-N 2.79Å; S472-E475 WeakPolarHBondContact O-CB 3.4Å; S472-E475 PolarHBondContact O-N 3.06Å; S472-E475 VanDerWaalsContact O-N 3.12Å; E475-L477 PolarHBondContact O-N 3.26Å; E475-V478 WeakPolarHBondContact O-CB 3.42Å; E475-V478 PolarHBondContact O-N 2.89Å; E475-E479 PolarHBondContact O-N 3.11Å; E475-S566 WeakPolarHBondContact OE1-CA 3.41Å; E475-S566 WeakPolarHBondContact OE1-CB 3.4Å; E475-S566 PolarHBondContact OE1-OG 3.5Å; E475-I568 VanDerWaalsContact C-CD1 3.43Å; E475-I568 VanDerWaalsContact CA-CD1 3.4Å; E475-I568 HydrophobicContact CB-CD1 3.38Å; E475-I568 HydrophobicContact CB-CG1 4.42Å; E475-I568 HydrophobicContact CG-CD1 3.84Å; E475-I568 WeakPolarHBondContact O-CD1 3.3Å
476D94.4Very high90.9Very high90 Ų9062.2 Ų62.248%0.48134%0.337SS..Hα-helixtrans-55.6-40.1173.5-60.5-24000111.3S472 E479 S480S472-D476 PolarHBondContact O-N 3.12Å; D476-E479 PolarHBondContact O-N 2.68Å; D476-S480 PolarHBondContact O-N 2.82Å; D476-S480 VanDerWaalsContact O-N 3.08Å
477L93.8Very high90.5Very high31 Ų3162.5 Ų62.516%0.16234%0.34CS..Hα-helixtrans-66.2-39177.4-172.266.1000111.9L464 Q473 F474 E475 S480 K526 Q527 A530L464-L477 HydrophobicContact CB-CD2 3.86Å; L464-L477 HydrophobicContact CD1-CD2 4.46Å; Q473-L477 PolarHBondContact O-N 3.26Å; F474-L477 WeakPolarHBondContact O-CB 3.46Å; F474-L477 PolarHBondContact O-N 2.87Å; E475-L477 PolarHBondContact O-N 3.26Å; L477-S480 PolarHBondContact O-OG 2.8Å; L477-K526 HydrophobicContact CD1-CB 3.87Å; L477-K526 HydrophobicContact CD2-CB 3.99Å; L477-K526 HydrophobicContact CG-CB 4.44Å; L477-Q527 HydrophobicContact CD1-CB 3.88Å; L477-Q527 HydrophobicContact CG-CB 4.39Å; L477-Q527 WeakPolarHBondContact O-CA 3.2Å; L477-Q527 VanDerWaalsContact O-CB 3.3Å; L477-Q527 WeakPolarHBondContact O-CB 3.41Å; L477-A530 HydrophobicContact CB-CB 4.31Å; L477-A530 HydrophobicContact CD2-CB 3.75Å; L477-A530 HydrophobicContact CG-CB 3.78Å
478V93.9Very high90.4Very high1 Ų154 Ų541%0.00631%0.31CS..Hα-helixtrans-69.1-37.8175.1175.20000111.9F474 E475 S480 S481 A530 R531 I534 I568F474-V478 HydrophobicContact CD1-CG2 4.26Å; F474-V478 HydrophobicContact CE1-CG2 3.96Å; F474-V478 HydrophobicContact CZ-CG2 4.26Å; F474-V478 WeakPolarHBondContact O-CG2 3.24Å; F474-V478 PolarHBondContact O-N 3.24Å; E475-V478 WeakPolarHBondContact O-CB 3.42Å; E475-V478 PolarHBondContact O-N 2.89Å; V478-S480 VanDerWaalsContact C-N 3.3Å; V478-S480 PolarHBondContact O-N 2.76Å; V478-S481 PolarHBondContact O-N 3.03Å; V478-A530 HydrophobicContact CG2-CB 3.74Å; V478-R531 HydrophobicContact CG1-CB 4.21Å; V478-R531 PolarHBondContact O-NE 2.86Å; V478-R531 PolarHBondContact O-NH2 3.06Å; V478-R531 VanDerWaalsContact O-NH2 3.15Å; V478-I534 HydrophobicContact CG1-CG1 4.38Å; V478-I534 HydrophobicContact CG2-CG1 3.91Å; V478-I568 HydrophobicContact CB-CD1 4.27Å; V478-I568 HydrophobicContact CB-CG2 4.14Å; V478-I568 HydrophobicContact CG1-CG2 3.48Å; V478-I568 VanDerWaalsContact CG1-CG2 3.48Å
479E93.7Very high89.7Confident128 Ų12848.3 Ų48.360%0.59828%0.279SS*.Hα-helixtrans-68.6-27.3177.9-91.1175.7-170.800113.2E475 D476 S481 I568E475-E479 PolarHBondContact O-N 3.11Å; D476-E479 PolarHBondContact O-N 2.68Å; E479-S481 PolarHBondContact O-N 3.08Å; E479-I568 HydrophobicContact CB-CD1 4.43Å; E479-I568 HydrophobicContact CG-CD1 3.57Å; E479-I568 HydrophobicContact CG-CG1 4.05Å; E479-I568 WeakPolarHBondContact OE1-CG1 3.42Å
480S94Very high88.4Confident75 Ų7548.1 Ų48.152%0.52428%0.277SS..THydrogen-bonded Turntrans-71.7-1.7175.969.60000115.1D476 L477 V478 Q527D476-S480 PolarHBondContact O-N 2.82Å; D476-S480 VanDerWaalsContact O-N 3.08Å; L477-S480 PolarHBondContact O-OG 2.8Å; V478-S480 VanDerWaalsContact C-N 3.3Å; V478-S480 PolarHBondContact O-N 2.76Å; S480-Q527 WeakPolarHBondContact OG-CB 3.24Å
481S91.5Very high86.4Confident7 Ų746.5 Ų46.55%0.04927%0.267CS..SBendtrans-115.2139.1168.3-174.70000110.4V478 E479 N485 R531V478-S481 PolarHBondContact O-N 3.03Å; E479-S481 PolarHBondContact O-N 3.08Å; S481-N485 PolarHBondContact OG-OD1 3.07Å; S481-R531 PolarHBondContact O-NE 3.43Å
482P92.1Very high84Confident71 Ų7142.3 Ų42.346%0.46125%0.252SS..  trans-72.4155.6-178.830.4-36.3000112.7N485 R531P482-N485 WeakPolarHBondContact O-CA 3.03Å; P482-N485 PolarHBondContact O-N 2.78Å; P482-R531 WeakPolarHBondContact O-CD 3.35Å; P482-R531 PolarHBondContact O-NE 3.38Å
483P91Very high81.2Confident37 Ų3742.9 Ų42.924%0.2426%0.256CS..THydrogen-bonded Turntrans-52.1139.5172.4-25.735.4000113.2N485 E535 A630P483-N485 PolarHBondContact O-N 2.81Å; P483-E535 WeakPolarHBondContact CA-OE1 3.24Å; P483-A630 HydrophobicContact CB-CB 3.66Å; P483-A630 HydrophobicContact CG-CB 4.11Å
484G85.7Confident78.3Confident4 Ų441.3 Ų41.34%0.04125%0.253CS..THydrogen-bonded Turntrans79-3.5-171.200000113.8C486 G487 E535G484-C486 PolarHBondContact O-N 3.22Å; G484-G487 PolarHBondContact O-N 2.87Å; G484-E535 WeakPolarHBondContact CA-OE2 3.34Å; G484-E535 PolarHBondContact N-OE1 2.65Å; G484-E535 PolarHBondContact N-OE2 3.06Å
485N89Confident75.8Confident1 Ų142.1 Ų42.11%0.00526%0.263CS..G310 helixtrans53.433.9168.4-156.436.4000114.2S481 P482 P483 G487 C488 I528 R531S481-N485 PolarHBondContact OG-OD1 3.07Å; P482-N485 WeakPolarHBondContact O-CA 3.03Å; P482-N485 PolarHBondContact O-N 2.78Å; P483-N485 PolarHBondContact O-N 2.81Å; N485-G487 PolarHBondContact O-N 3.45Å; N485-G487 VanDerWaalsContact O-N 3.17Å; N485-C488 WeakPolarHBondContact CB-O 3.41Å; N485-C488 PolarHBondContact ND2-O 3.34Å; N485-C488 VanDerWaalsContact O-CB 3.25Å; N485-C488 WeakPolarHBondContact O-CB 3.16Å; N485-C488 PolarHBondContact O-N 2.88Å; N485-I528 WeakPolarHBondContact ND2-CG2 3.22Å; N485-I528 PolarHBondContact ND2-O 2.69Å; N485-I528 WeakPolarHBondContact OD1-CA 3.42Å; N485-I528 PolarHBondContact OD1-O 2.75Å; N485-R531 HydrophobicContact CB-CG 3.88Å
486C85Confident73.6Confident90 Ų9040.4 Ų40.461%0.60826%0.256SS*.G310 helixtrans53.231.1-173.9-56.70000113.8G484 C488 A516G484-C486 PolarHBondContact O-N 3.22Å; C486-C488 PolarHBondContact O-N 2.8Å; C486-A516 WeakPolarHBondContact O-CB 3.37Å
487G81Confident71.6Confident35 Ų3536.3 Ų36.336%0.36123%0.234SC..G310 helixtrans80.7-5.6-176.600000114.7G484 N485 M489G484-G487 PolarHBondContact O-N 2.87Å; N485-G487 PolarHBondContact O-N 3.45Å; N485-G487 VanDerWaalsContact O-N 3.17Å; G487-M489 PolarHBondContact O-N 3.29Å
488C82.2Confident69.6Low16 Ų1635.1 Ų35.111%0.10823%0.227CC..  trans-73.9123.2176.1-66.60000110.6N485 C486 V514 F524 I528N485-C488 WeakPolarHBondContact CB-O 3.41Å; N485-C488 PolarHBondContact ND2-O 3.34Å; N485-C488 VanDerWaalsContact O-CB 3.25Å; N485-C488 WeakPolarHBondContact O-CB 3.16Å; N485-C488 PolarHBondContact O-N 2.88Å; C486-C488 PolarHBondContact O-N 2.8Å; C488-V514 WeakPolarHBondContact CA-O 3.38Å; C488-F524 HydrophobicContact CB-CE1 3.86Å; C488-F524 HydrophobicContact CB-CE2 4.08Å; C488-F524 HydrophobicContact CB-CZ 3.57Å; C488-I528 HydrophobicContact CB-CG2 3.51Å
489M73.3Confident67.2Low43 Ų4338.6 Ų38.621%0.21224%0.243CC..EExtended strand (participates in β ladder)trans-128.2153.3-180-66.7-174.5-70.600110.8G487 T491 V514 P635 V638G487-M489 PolarHBondContact O-N 3.29Å; M489-T491 HydrophobicContact CB-CG2 3.67Å; M489-T491 HydrophobicContact CE-CG2 4.43Å; M489-V514 PolarHBondContact N-O 3.29Å; M489-V514 PolarHBondContact O-N 3.21Å; M489-V514 VanDerWaalsContact O-O 3.08Å; M489-P635 HydrophobicContact SD-CG 4.07Å; M489-V638 HydrophobicContact CE-CG1 4.47Å; M489-V638 HydrophobicContact CE-CG2 4.49Å
490G61.8Low64.9Low1 Ų140 Ų401%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-91.6116.2159.900000109.2V512 H536G490-V512 CarbonylContact C-O 3.55Å; G490-V512 VanDerWaalsContact CA-O 3.29Å; G490-V512 WeakPolarHBondContact CA-O 2.87Å; G490-H536 PolarHBondContact O-CE1 2.99Å; G490-H536 PolarHBondContact O-ND1 2.92Å
491T50.9Low62.6Low40 Ų4040.5 Ų40.525%0.24524%0.238CC..  trans-133.7114.4-178.979.40000109.8M489 V512 V514M489-T491 HydrophobicContact CB-CG2 3.67Å; M489-T491 HydrophobicContact CE-CG2 4.43Å; T491-V512 PolarHBondContact N-O 2.93Å; T491-V512 WeakPolarHBondContact O-CB 3.18Å; T491-V512 WeakPolarHBondContact O-CG1 3.45Å; T491-V514 HydrophobicContact CG2-CB 4.39Å; T491-V514 HydrophobicContact CG2-CG2 4.38Å; T491-V514 WeakPolarHBondContact OG1-CG2 3.31Å
492S39.2Very low60.6Low5 Ų541.3 Ų41.34%0.03524%0.241CC..  trans-74.8157.4152.3620000108.3T494 G495 V496S492-T494 PolarHBondContact O-N 2.8Å; S492-T494 PolarHBondContact OG-OG1 2.93Å; S492-G495 PolarHBondContact O-N 2.68Å; S492-G495 PolarHBondContact OG-N 2.6Å; S492-V496 PolarHBondContact OG-N 2.93Å; S492-V496 VanDerWaalsContact OG-N 3.13Å; S492-V496 PolarHBondContact OG-O 3.03Å
493S31.9Very low58.6Low77 Ų7739.9 Ų39.954%0.53823%0.229SC..THydrogen-bonded Turntrans-54.9-3.3168.655.40000113.8
494T33.7Very low56.5Low65 Ų6538.1 Ų38.140%0.39922%0.218SC..THydrogen-bonded Turntrans-134.311.5179.750.90000113.1S492 V507S492-T494 PolarHBondContact O-N 2.8Å; S492-T494 PolarHBondContact OG-OG1 2.93Å; T494-V507 HydrophobicContact CG2-CG2 3.79Å; T494-V507 WeakPolarHBondContact OG1-CG1 3.32Å; T494-V507 WeakPolarHBondContact OG1-CG2 3.41Å
495G39.1Very low54.7Low21 Ų2138 Ų3822%0.21622%0.217CC..SBendtrans79.836.9154.700000120.7S492 H536S492-G495 PolarHBondContact O-N 2.68Å; S492-G495 PolarHBondContact OG-N 2.6Å; G495-H536 PolarHBondContact O-CE1 3.42Å; G495-H536 PolarHBondContact O-NE2 3.12Å
496V48.4Very low52.8Low11 Ų1142.1 Ų42.17%0.06723%0.234CC..  trans-159.3148.3160.8-165.20000114.7S492 Y498 H536 A540S492-V496 PolarHBondContact OG-N 2.93Å; S492-V496 VanDerWaalsContact OG-N 3.13Å; S492-V496 PolarHBondContact OG-O 3.03Å; V496-Y498 HydrophobicContact CB-CD1 3.71Å; V496-Y498 HydrophobicContact CB-CD2 3.99Å; V496-Y498 HydrophobicContact CB-CE1 3.16Å; V496-Y498 HydrophobicContact CB-CE2 3.54Å; V496-Y498 HydrophobicContact CB-CG 4.11Å; V496-Y498 HydrophobicContact CG1-CD1 3.71Å; V496-Y498 HydrophobicContact CG1-CE1 3.33Å; V496-Y498 HydrophobicContact CG1-CG 4.45Å; V496-Y498 HydrophobicContact CG2-CD1 4.48Å; V496-Y498 HydrophobicContact CG2-CE1 3.47Å; V496-Y498 VanDerWaalsContact CG2-CE1 3.47Å; V496-Y498 HydrophobicContact CG2-CE2 3.9Å; V496-Y498 WeakPolarHBondContact CG2-OH 3.46Å; V496-Y498 WeakPolarHBondContact O-CD2 3.11Å; V496-Y498 PolarHBondContact O-N 3.01Å; V496-H536 WeakPolarHBondContact CA-NE2 3.44Å; V496-A540 HydrophobicContact CG2-CB 4.34Å
497F52.4Low51Low4 Ų438.7 Ų38.72%0.01821%0.211CC..  trans-59.395.6157.5-67-76.1000111.8T456 Y511 L513 A532 V533 H536T456-F497 HydrophobicContact CG2-CB 3.54Å; T456-F497 HydrophobicContact CG2-CG 4.48Å; T456-F497 WeakPolarHBondContact CG2-O 3.27Å; T456-F497 PolarHBondContact OG1-O 3.41Å; F497-Y511 AromaticContact CD1-CD2 3.75Å; F497-Y511 HydrophobicContact CD1-CD2 3.75Å; F497-Y511 HydrophobicContact CD1-CE1 4.35Å; F497-Y511 AromaticContact CD1-CE2 3.23Å; F497-Y511 HydrophobicContact CD1-CE2 3.23Å; F497-Y511 HydrophobicContact CD1-CG 4.46Å; F497-Y511 AromaticContact CD1-CZ 3.53Å; F497-Y511 HydrophobicContact CE1-CD2 4.41Å; F497-Y511 HydrophobicContact CE1-CE1 4.06Å; F497-Y511 AromaticContact CE1-CE2 3.68Å; F497-Y511 HydrophobicContact CE1-CE2 3.68Å; F497-Y511 AromaticContact CE1-CZ 3.42Å; F497-Y511 VanDerWaalsContact CE1-CZ 3.42Å; F497-Y511 WeakPolarHBondContact CE1-OH 3.37Å; F497-Y511 HydrophobicContact CG-CE2 4.27Å; F497-L513 HydrophobicContact CE1-CD2 3.62Å; F497-L513 HydrophobicContact CZ-CD2 4.09Å; F497-A532 HydrophobicContact CE2-CB 4.24Å; F497-A532 WeakPolarHBondContact CE2-O 2.96Å; F497-A532 HydrophobicContact CZ-CB 3.86Å; F497-V533 HydrophobicContact CD1-CG2 4.43Å; F497-V533 HydrophobicContact CD2-CB 4.49Å; F497-V533 HydrophobicContact CD2-CG2 4.03Å; F497-V533 HydrophobicContact CE1-CG2 4.23Å; F497-V533 HydrophobicContact CE2-CB 4.32Å; F497-V533 HydrophobicContact CE2-CG2 3.87Å; F497-V533 HydrophobicContact CG-CG2 4.29Å; F497-V533 HydrophobicContact CZ-CG2 3.91Å; F497-H536 HydrophobicContact CD2-CB 4.13Å; F497-H536 AromaticContact CD2-CD2 3.95Å; F497-H536 HydrophobicContact CE2-CB 3.85Å
498Y50.9Low49.4Very low5 Ų543.5 Ų43.52%0.0223%0.227CC..  trans-113.8120177.2-62-47.4000109.1V496 Y500 E502 S505 V507 P509 Q510V496-Y498 HydrophobicContact CB-CD1 3.71Å; V496-Y498 HydrophobicContact CB-CD2 3.99Å; V496-Y498 HydrophobicContact CB-CE1 3.16Å; V496-Y498 HydrophobicContact CB-CE2 3.54Å; V496-Y498 HydrophobicContact CB-CG 4.11Å; V496-Y498 HydrophobicContact CG1-CD1 3.71Å; V496-Y498 HydrophobicContact CG1-CE1 3.33Å; V496-Y498 HydrophobicContact CG1-CG 4.45Å; V496-Y498 HydrophobicContact CG2-CD1 4.48Å; V496-Y498 HydrophobicContact CG2-CE1 3.47Å; V496-Y498 VanDerWaalsContact CG2-CE1 3.47Å; V496-Y498 HydrophobicContact CG2-CE2 3.9Å; V496-Y498 WeakPolarHBondContact CG2-OH 3.46Å; V496-Y498 WeakPolarHBondContact O-CD2 3.11Å; V496-Y498 PolarHBondContact O-N 3.01Å; Y498-Y500 WeakPolarHBondContact CB-O 3.28Å; Y498-E502 HydrophobicContact CD1-CB 3.68Å; Y498-E502 HydrophobicContact CD1-CG 4.15Å; Y498-E502 WeakPolarHBondContact CD1-OE2 3.05Å; Y498-E502 HydrophobicContact CE1-CB 3.17Å; Y498-E502 HydrophobicContact CE1-CG 3.3Å; Y498-E502 WeakPolarHBondContact CE1-OE2 3.42Å; Y498-E502 HydrophobicContact CE2-CB 4.27Å; Y498-E502 HydrophobicContact CG-CB 4.41Å; Y498-E502 VanDerWaalsContact CZ-CB 3.43Å; Y498-S505 WeakPolarHBondContact OH-CB 2.95Å; Y498-V507 HydrophobicContact CD2-CB 4.29Å; Y498-V507 HydrophobicContact CD2-CG1 4.1Å; Y498-V507 HydrophobicContact CE2-CB 4.06Å; Y498-V507 HydrophobicContact CE2-CG1 4.18Å; Y498-P509 CarbonylContact O-C 3.4Å; Y498-P509 WeakPolarHBondContact O-CA 3.03Å; Y498-P509 WeakPolarHBondContact O-CB 3.46Å; Y498-Q510 PolarHBondContact O-N 3.29Å
499E44.2Very low48Very low75 Ų7545.5 Ų45.535%0.3524%0.24SC..SBendtrans-94.3-19160.4-73.4-166.9-163.100111.6E459 R463E459-E499 VanDerWaalsContact CD-OE2 3.32Å; E459-E499 HydrophobicContact CG-CG 4.33Å; E459-E499 WeakPolarHBondContact CG-OE1 3.35Å; E459-E499 WeakPolarHBondContact CG-OE2 3.32Å; R463-E499 IonicContact NE-OE1 2.64Å
500Y44.6Very low47.1Very low157 Ų15747.3 Ų47.362%0.61625%0.248SC*.SBendtrans-125.8152.9174.8-56.8-82.2000108.9Y498 E502Y498-Y500 WeakPolarHBondContact CB-O 3.28Å; Y500-E502 PolarHBondContact O-N 3.29Å
501E47.3Very low47.2Very low85 Ų8551 Ų5140%0.39726%0.262SS..  trans-54.7119.5171.3-172177.2-16900108.3I503 S505E501-I503 PolarHBondContact O-N 3.02Å; E501-S505 WeakPolarHBondContact CG-O 3.27Å
502E49.1Very low48Very low24 Ų2449.9 Ų49.911%0.11226%0.255CS..  trans-62137.7-179-169.761.6-169.800108.9N452 Y498 Y500 G504 S505N452-E502 WeakPolarHBondContact CA-OE1 3.36Å; N452-E502 VanDerWaalsContact CB-OE1 3.32Å; N452-E502 WeakPolarHBondContact CB-OE1 3.37Å; Y498-E502 HydrophobicContact CD1-CB 3.68Å; Y498-E502 HydrophobicContact CD1-CG 4.15Å; Y498-E502 WeakPolarHBondContact CD1-OE2 3.05Å; Y498-E502 HydrophobicContact CE1-CB 3.17Å; Y498-E502 HydrophobicContact CE1-CG 3.3Å; Y498-E502 WeakPolarHBondContact CE1-OE2 3.42Å; Y498-E502 HydrophobicContact CE2-CB 4.27Å; Y498-E502 HydrophobicContact CG-CB 4.41Å; Y498-E502 VanDerWaalsContact CZ-CB 3.43Å; Y500-E502 PolarHBondContact O-N 3.29Å; E502-G504 PolarHBondContact O-N 2.8Å; E502-S505 PolarHBondContact O-N 3.03Å
503I50.9Low49.8Very low42 Ų4249.7 Ų49.722%0.21525%0.254CS..THydrogen-bonded Turntrans-55.2-9.6177.7-67.7164.1000111.7W133 H164 R166 H436 N452 E501W133-I503 HydrophobicContact CZ3-CD1 3.76Å; H164-I503 PolarHBondContact CD2-O 2.91Å; R166-I503 PolarHBondContact NH1-O 3.06Å; R166-I503 PolarHBondContact NH2-O 2.75Å; H436-I503 PolarHBondContact NE2-O 3.38Å; N452-I503 HydrophobicContact CB-CB 4.06Å; N452-I503 HydrophobicContact CB-CD1 4.17Å; N452-I503 HydrophobicContact CB-CG2 4.46Å; N452-I503 VanDerWaalsContact CG-CB 3.4Å; N452-I503 WeakPolarHBondContact ND2-CB 3.2Å; N452-I503 WeakPolarHBondContact ND2-CG2 3.32Å; N452-I503 VanDerWaalsContact OD1-CG2 3.28Å; N452-I503 WeakPolarHBondContact OD1-CG2 3.45Å; E501-I503 PolarHBondContact O-N 3.02Å
504G46Very low52.1Low0 Ų046.7 Ų46.70%023%0.232CC..THydrogen-bonded Turntrans-131.615.4170.300000117H164 N434 E502H164-G504 WeakPolarHBondContact NE2-CA 3.36Å; N434-G504 CarbonylContact C-O 3.58Å; N434-G504 WeakPolarHBondContact CA-O 3.31Å; N434-G504 VanDerWaalsContact CB-O 3.29Å; N434-G504 WeakPolarHBondContact CB-O 3.47Å; E502-G504 PolarHBondContact O-N 2.8Å
505S47Very low54.4Low2 Ų245.3 Ų45.31%0.01422%0.222CC..  trans-139.7123.3-176.9-164.50000111.4N434 Y498 E501 E502 V507N434-S505 PolarHBondContact ND2-OG 3.15Å; Y498-S505 WeakPolarHBondContact OH-CB 2.95Å; E501-S505 WeakPolarHBondContact CG-O 3.27Å; E502-S505 PolarHBondContact O-N 3.03Å; S505-V507 PolarHBondContact O-N 2.85Å; S505-V507 WeakPolarHBondContact OG-CB 3.37Å; S505-V507 WeakPolarHBondContact OG-CG2 3.27Å
506K50Low56.5Low87 Ų8747.4 Ų47.438%0.37824%0.238SC..  trans-71.818.1172.8-68.7-177.7164.7-177.80114.3E146E146-K506 WeakPolarHBondContact OE1-CE 3.44Å; E146-K506 IonicContact OE1-NZ 3.59Å; E146-K506 PolarHBondContact OE1-NZ 2.78Å; E146-K506 IonicContact OE2-NZ 2.79Å; E146-K506 PolarHBondContact OE2-NZ 3.1Å
507V47.2Very low58.1Low18 Ų1853.1 Ų53.111%0.10927%0.268CS..  trans-87.4119.7-175.5173.60000106.1T494 Y498 S505T494-V507 HydrophobicContact CG2-CG2 3.79Å; T494-V507 WeakPolarHBondContact OG1-CG1 3.32Å; T494-V507 WeakPolarHBondContact OG1-CG2 3.41Å; Y498-V507 HydrophobicContact CD2-CB 4.29Å; Y498-V507 HydrophobicContact CD2-CG1 4.1Å; Y498-V507 HydrophobicContact CE2-CB 4.06Å; Y498-V507 HydrophobicContact CE2-CG1 4.18Å; S505-V507 PolarHBondContact O-N 2.85Å; S505-V507 WeakPolarHBondContact OG-CB 3.37Å; S505-V507 WeakPolarHBondContact OG-CG2 3.27Å
508L48.1Very low59.3Low135 Ų13555.6 Ų55.671%0.70729%0.294SS*.  trans-52.7139.5170.9-71.9170.7000109.4Q510L508-Q510 PolarHBondContact O-N 3.21Å
509P51.7Low60.7Low59 Ų5958.7 Ų58.738%0.38332%0.316SS..  trans-41.4112.3171-32.838000111.5Y498Y498-P509 CarbonylContact O-C 3.4Å; Y498-P509 WeakPolarHBondContact O-CA 3.03Å; Y498-P509 WeakPolarHBondContact O-CB 3.46Å
510Q55Low62.6Low80 Ų8063.2 Ų63.237%0.37433%0.33SS..  trans-134.6112.8175.7-79.3-168.913.800108.8Y498 L508 V512Y498-Q510 PolarHBondContact O-N 3.29Å; L508-Q510 PolarHBondContact O-N 3.21Å; Q510-V512 HydrophobicContact CB-CG2 4.12Å; Q510-V512 PolarHBondContact O-N 3.2Å
511Y63.9Low64.5Low78 Ų7857.7 Ų57.731%0.30631%0.312SS..  trans-88.693.9172.7-155.2-91.1000108.2R463 F497 L513 E529R463-Y511 PolarHBondContact NH2-OH 3.36Å; F497-Y511 AromaticContact CD1-CD2 3.75Å; F497-Y511 HydrophobicContact CD1-CD2 3.75Å; F497-Y511 HydrophobicContact CD1-CE1 4.35Å; F497-Y511 AromaticContact CD1-CE2 3.23Å; F497-Y511 HydrophobicContact CD1-CE2 3.23Å; F497-Y511 HydrophobicContact CD1-CG 4.46Å; F497-Y511 AromaticContact CD1-CZ 3.53Å; F497-Y511 HydrophobicContact CE1-CD2 4.41Å; F497-Y511 HydrophobicContact CE1-CE1 4.06Å; F497-Y511 AromaticContact CE1-CE2 3.68Å; F497-Y511 HydrophobicContact CE1-CE2 3.68Å; F497-Y511 AromaticContact CE1-CZ 3.42Å; F497-Y511 VanDerWaalsContact CE1-CZ 3.42Å; F497-Y511 WeakPolarHBondContact CE1-OH 3.37Å; F497-Y511 HydrophobicContact CG-CE2 4.27Å; Y511-L513 HydrophobicContact CD1-CD2 4.23Å; Y511-L513 HydrophobicContact CD1-CG 4.17Å; Y511-L513 HydrophobicContact CE1-CD1 4.01Å; Y511-L513 HydrophobicContact CE1-CD2 3.59Å; Y511-L513 HydrophobicContact CE1-CG 3.84Å; Y511-E529 WeakPolarHBondContact OH-CG 3.12Å; Y511-E529 PolarHBondContact OH-OE1 3.36Å
512V67.2Low66.1Low17 Ų1759.3 Ų59.310%0.10333%0.33CS..  trans-117.9118.3-177.3177.50000108.5G490 T491 Q510 V514 R520G490-V512 CarbonylContact C-O 3.55Å; G490-V512 VanDerWaalsContact CA-O 3.29Å; G490-V512 WeakPolarHBondContact CA-O 2.87Å; T491-V512 PolarHBondContact N-O 2.93Å; T491-V512 WeakPolarHBondContact O-CB 3.18Å; T491-V512 WeakPolarHBondContact O-CG1 3.45Å; Q510-V512 HydrophobicContact CB-CG2 4.12Å; Q510-V512 PolarHBondContact O-N 3.2Å; V512-V514 HydrophobicContact CG1-CG2 4.1Å; V512-R520 HydrophobicContact CG1-CG 3.91Å
513L76.4Confident67.7Low2 Ų265.5 Ų65.51%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-102.2135.3176-57.6179.1000108.5F497 Y511 R520 V521 F524 E529F497-L513 HydrophobicContact CE1-CD2 3.62Å; F497-L513 HydrophobicContact CZ-CD2 4.09Å; Y511-L513 HydrophobicContact CD1-CD2 4.23Å; Y511-L513 HydrophobicContact CD1-CG 4.17Å; Y511-L513 HydrophobicContact CE1-CD1 4.01Å; Y511-L513 HydrophobicContact CE1-CD2 3.59Å; Y511-L513 HydrophobicContact CE1-CG 3.84Å; L513-R520 CarbonylContact O-C 3.17Å; L513-R520 VanDerWaalsContact O-CA 3.26Å; L513-R520 WeakPolarHBondContact O-CA 3.24Å; L513-V521 HydrophobicContact CB-CG2 3.7Å; L513-V521 PolarHBondContact O-N 3.06Å; L513-F524 HydrophobicContact CB-CD2 4.03Å; L513-F524 HydrophobicContact CB-CE1 4.46Å; L513-F524 HydrophobicContact CB-CE2 3.67Å; L513-F524 HydrophobicContact CB-CZ 3.89Å; L513-F524 HydrophobicContact CD1-CB 4.24Å; L513-F524 HydrophobicContact CD1-CD2 3.79Å; L513-F524 HydrophobicContact CD1-CE2 4.31Å; L513-F524 HydrophobicContact CD1-CG 3.97Å; L513-F524 HydrophobicContact CD2-CD2 3.64Å; L513-F524 HydrophobicContact CD2-CE2 3.7Å; L513-F524 HydrophobicContact CG-CD2 4.02Å; L513-F524 HydrophobicContact CG-CE2 4.09Å; L513-E529 HydrophobicContact CD2-CG 4.36Å
514V80.8Confident69.3Low13 Ų1364.6 Ų64.68%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-129.1119.9-177.6178.10000108.7C488 M489 T491 V512 G518 C519 R520 F524C488-V514 WeakPolarHBondContact CA-O 3.38Å; M489-V514 PolarHBondContact N-O 3.29Å; M489-V514 PolarHBondContact O-N 3.21Å; M489-V514 VanDerWaalsContact O-O 3.08Å; T491-V514 HydrophobicContact CG2-CB 4.39Å; T491-V514 HydrophobicContact CG2-CG2 4.38Å; T491-V514 WeakPolarHBondContact OG1-CG2 3.31Å; V512-V514 HydrophobicContact CG1-CG2 4.1Å; V514-G518 VanDerWaalsContact CG1-C 3.41Å; V514-G518 VanDerWaalsContact CG1-CA 3.43Å; V514-C519 WeakPolarHBondContact CA-O 3.48Å; V514-R520 HydrophobicContact CG2-CG 4.36Å; V514-F524 WeakPolarHBondContact O-CZ 3.38Å
515N82.9Confident71.4Confident36 Ų3670.3 Ų70.319%0.19338%0.378CS..  trans-73.5179.6178.377.3-12.2000111.5D517 G518 C519 V521N515-D517 PolarHBondContact ND2-OD2 2.87Å; N515-D517 PolarHBondContact O-N 2.8Å; N515-D517 VanDerWaalsContact O-N 3.11Å; N515-D517 PolarHBondContact OD1-N 3.47Å; N515-D517 VanDerWaalsContact OD1-N 3.11Å; N515-G518 PolarHBondContact O-N 3.36Å; N515-G518 PolarHBondContact OD1-N 3.41Å; N515-C519 PolarHBondContact N-O 3.04Å; N515-C519 WeakPolarHBondContact OD1-CB 3.29Å; N515-C519 PolarHBondContact OD1-N 3.13Å; N515-C519 PolarHBondContact OD1-O 2.73Å; N515-V521 HydrophobicContact CB-CG1 4.03Å
516A83.2Confident73.6Confident65 Ų6576 Ų7654%0.53740%0.403SS..THydrogen-bonded Turntrans-56.3-26.517900000114.5C486 G518C486-A516 WeakPolarHBondContact O-CB 3.37Å; A516-G518 VanDerWaalsContact C-N 3.27Å; A516-G518 PolarHBondContact O-N 3.15Å
517D81Confident75.6Confident131 Ų13174.3 Ų74.370%0.70140%0.396SS*.THydrogen-bonded Turntrans-83.4-0.6-179.5-49.5-54.7000113.2N515 C519N515-D517 PolarHBondContact ND2-OD2 2.87Å; N515-D517 PolarHBondContact O-N 2.8Å; N515-D517 VanDerWaalsContact O-N 3.11Å; N515-D517 PolarHBondContact OD1-N 3.47Å; N515-D517 VanDerWaalsContact OD1-N 3.11Å; D517-C519 VanDerWaalsContact C-N 3.27Å; D517-C519 PolarHBondContact O-N 2.69Å
518G77.5Confident77.6Confident56 Ų5675.2 Ų75.258%0.57740%0.4SS*.SBendtrans79.47.8-173.200000113.9V514 N515 A516V514-G518 VanDerWaalsContact CG1-C 3.41Å; V514-G518 VanDerWaalsContact CG1-CA 3.43Å; N515-G518 PolarHBondContact O-N 3.36Å; N515-G518 PolarHBondContact OD1-N 3.41Å; A516-G518 VanDerWaalsContact C-N 3.27Å; A516-G518 PolarHBondContact O-N 3.15Å
519C81.6Confident79.5Confident70 Ų7069.3 Ų69.347%0.47337%0.369SS..  trans-85.9136.1-180-690000111.3V514 N515 D517 V521V514-C519 WeakPolarHBondContact CA-O 3.48Å; N515-C519 PolarHBondContact N-O 3.04Å; N515-C519 WeakPolarHBondContact OD1-CB 3.29Å; N515-C519 PolarHBondContact OD1-N 3.13Å; N515-C519 PolarHBondContact OD1-O 2.73Å; D517-C519 VanDerWaalsContact C-N 3.27Å; D517-C519 PolarHBondContact O-N 2.69Å; C519-V521 PolarHBondContact O-N 2.64Å
520R83.3Confident81.4Confident171 Ų17166.5 Ų66.565%0.64535%0.351SS*.EExtended strand (participates in β ladder)trans-68130.9172.4-67.2-174.9-177.7-176.41.7110.2V512 L513 V514V512-R520 HydrophobicContact CG1-CG 3.91Å; L513-R520 CarbonylContact O-C 3.17Å; L513-R520 VanDerWaalsContact O-CA 3.26Å; L513-R520 WeakPolarHBondContact O-CA 3.24Å; V514-R520 HydrophobicContact CG2-CG 4.36Å
521V83.4Confident83.1Confident40 Ų4063.1 Ų63.124%0.24234%0.335CS..EExtended strand (participates in β ladder)trans-121.7150.8177.3-62.90000111L513 N515 C519 F524L513-V521 HydrophobicContact CB-CG2 3.7Å; L513-V521 PolarHBondContact O-N 3.06Å; N515-V521 HydrophobicContact CB-CG1 4.03Å; C519-V521 PolarHBondContact O-N 2.64Å; V521-F524 HydrophobicContact CG2-CD1 3.93Å; V521-F524 HydrophobicContact CG2-CE1 3.45Å; V521-F524 VanDerWaalsContact CG2-CE1 3.45Å; V521-F524 HydrophobicContact CG2-CZ 3.96Å
522P80.9Confident84.2Confident120 Ų12059.5 Ų59.578%0.77932%0.321SS*.SBendtrans-76.9-27-175.727.7-33.5000113.9
523F83.5Confident85Confident153 Ų15358.8 Ų58.867%0.67132%0.316SS*.  trans-153.2160.8-179.862.8-91.3000110.9
524F85.6Confident85.5Confident23 Ų2358.9 Ų58.910%0.10132%0.317CS..  trans-117.3162.3166.2-77.9-36.9000110.1C488 L513 V514 V521 I528 E529C488-F524 HydrophobicContact CB-CE1 3.86Å; C488-F524 HydrophobicContact CB-CE2 4.08Å; C488-F524 HydrophobicContact CB-CZ 3.57Å; L513-F524 HydrophobicContact CB-CD2 4.03Å; L513-F524 HydrophobicContact CB-CE1 4.46Å; L513-F524 HydrophobicContact CB-CE2 3.67Å; L513-F524 HydrophobicContact CB-CZ 3.89Å; L513-F524 HydrophobicContact CD1-CB 4.24Å; L513-F524 HydrophobicContact CD1-CD2 3.79Å; L513-F524 HydrophobicContact CD1-CE2 4.31Å; L513-F524 HydrophobicContact CD1-CG 3.97Å; L513-F524 HydrophobicContact CD2-CD2 3.64Å; L513-F524 HydrophobicContact CD2-CE2 3.7Å; L513-F524 HydrophobicContact CG-CD2 4.02Å; L513-F524 HydrophobicContact CG-CE2 4.09Å; V514-F524 WeakPolarHBondContact O-CZ 3.38Å; V521-F524 HydrophobicContact CG2-CD1 3.93Å; V521-F524 HydrophobicContact CG2-CE1 3.45Å; V521-F524 VanDerWaalsContact CG2-CE1 3.45Å; V521-F524 HydrophobicContact CG2-CZ 3.96Å; F524-I528 HydrophobicContact CB-CB 4.09Å; F524-I528 HydrophobicContact CB-CG2 4.01Å; F524-I528 HydrophobicContact CD1-CG2 3.9Å; F524-I528 HydrophobicContact CD2-CG2 3.87Å; F524-I528 HydrophobicContact CE1-CG2 4.32Å; F524-I528 HydrophobicContact CE2-CG2 4.29Å; F524-I528 HydrophobicContact CG-CB 4.32Å; F524-I528 HydrophobicContact CG-CG2 3.68Å; F524-E529 HydrophobicContact CB-CB 3.93Å; F524-E529 HydrophobicContact CB-CG 4.32Å; F524-E529 HydrophobicContact CD2-CG 4.41Å
525E90.3Very high85.8Confident121 Ų12158.6 Ų58.657%0.56532%0.315SS*.  trans-61.7148.7160.8-61.3-172.5178.600109.8Q527 I528 E529E525-Q527 PolarHBondContact O-N 3.03Å; E525-Q527 VanDerWaalsContact O-N 3.13Å; E525-Q527 PolarHBondContact OE2-NE2 2.85Å; E525-I528 HydrophobicContact CB-CD1 4.28Å; E525-I528 HydrophobicContact CB-CG1 4.42Å; E525-I528 PolarHBondContact O-N 3.14Å; E525-E529 PolarHBondContact O-N 3.31Å
526K91.4Very high85.7Confident121 Ų12157.8 Ų57.853%0.52631%0.31SS..Hα-helixtrans-55.2-39.7-167.8-68-174.4172.6-163.10113.2L464 L477 E529 A530L464-K526 HydrophobicContact CD2-CB 4.3Å; L464-K526 HydrophobicContact CD2-CG 4.19Å; L464-K526 WeakPolarHBondContact O-CD 3.32Å; L464-K526 WeakPolarHBondContact O-CE 3.48Å; L464-K526 PolarHBondContact O-NZ 3.46Å; L477-K526 HydrophobicContact CD1-CB 3.87Å; L477-K526 HydrophobicContact CD2-CB 3.99Å; L477-K526 HydrophobicContact CG-CB 4.44Å; K526-E529 PolarHBondContact O-N 3.2Å; K526-A530 VanDerWaalsContact O-CB 3.32Å; K526-A530 WeakPolarHBondContact O-CB 3.42Å; K526-A530 PolarHBondContact O-N 3.01Å
527Q92.4Very high85.5Confident52 Ų5255.1 Ų55.124%0.24329%0.286CS..Hα-helixtrans-69.2-40.1179.367.7-76.214.500113.3L477 S480 E525 E529 A530 R531L477-Q527 HydrophobicContact CD1-CB 3.88Å; L477-Q527 HydrophobicContact CG-CB 4.39Å; L477-Q527 WeakPolarHBondContact O-CA 3.2Å; L477-Q527 VanDerWaalsContact O-CB 3.3Å; L477-Q527 WeakPolarHBondContact O-CB 3.41Å; S480-Q527 WeakPolarHBondContact OG-CB 3.24Å; E525-Q527 PolarHBondContact O-N 3.03Å; E525-Q527 VanDerWaalsContact O-N 3.13Å; E525-Q527 PolarHBondContact OE2-NE2 2.85Å; Q527-E529 VanDerWaalsContact C-N 3.3Å; Q527-A530 PolarHBondContact O-N 3.12Å; Q527-R531 PolarHBondContact O-N 3.43Å
528I90.6Very high85.8Confident37 Ų3749 Ų4919%0.1925%0.254CS..Hα-helixtrans-65.4-42176.1-61.6178.5000109N485 C488 F524 E525 A532N485-I528 WeakPolarHBondContact ND2-CG2 3.22Å; N485-I528 PolarHBondContact ND2-O 2.69Å; N485-I528 WeakPolarHBondContact OD1-CA 3.42Å; N485-I528 PolarHBondContact OD1-O 2.75Å; C488-I528 HydrophobicContact CB-CG2 3.51Å; F524-I528 HydrophobicContact CB-CB 4.09Å; F524-I528 HydrophobicContact CB-CG2 4.01Å; F524-I528 HydrophobicContact CD1-CG2 3.9Å; F524-I528 HydrophobicContact CD2-CG2 3.87Å; F524-I528 HydrophobicContact CE1-CG2 4.32Å; F524-I528 HydrophobicContact CE2-CG2 4.29Å; F524-I528 HydrophobicContact CG-CB 4.32Å; F524-I528 HydrophobicContact CG-CG2 3.68Å; E525-I528 HydrophobicContact CB-CD1 4.28Å; E525-I528 HydrophobicContact CB-CG1 4.42Å; E525-I528 PolarHBondContact O-N 3.14Å; I528-A532 VanDerWaalsContact O-CB 3.26Å; I528-A532 WeakPolarHBondContact O-CB 3.37Å; I528-A532 PolarHBondContact O-N 2.78Å
529E88Confident86Confident11 Ų1147.4 Ų47.45%0.05123%0.232CC..Hα-helixtrans-68.7-42.6179-150.9-168.39900112.7R463 L464 Y511 L513 F524 E525 K526 Q527 R531 A532 V533R463-E529 IonicContact CZ-OE1 2.64Å; R463-E529 IonicContact NH1-OE1 3.97Å; R463-E529 PolarHBondContact NH1-OE1 2.93Å; R463-E529 IonicContact NH1-OE2 3.33Å; R463-E529 PolarHBondContact NH1-OE2 2.86Å; R463-E529 IonicContact NH2-OE1 3.06Å; R463-E529 PolarHBondContact NH2-OE1 3.04Å; L464-E529 HydrophobicContact CD1-CB 4.04Å; L464-E529 HydrophobicContact CD1-CG 4.43Å; L464-E529 HydrophobicContact CD2-CB 4.27Å; L464-E529 WeakPolarHBondContact CD2-OE1 3.24Å; Y511-E529 WeakPolarHBondContact OH-CG 3.12Å; Y511-E529 PolarHBondContact OH-OE1 3.36Å; L513-E529 HydrophobicContact CD2-CG 4.36Å; F524-E529 HydrophobicContact CB-CB 3.93Å; F524-E529 HydrophobicContact CB-CG 4.32Å; F524-E529 HydrophobicContact CD2-CG 4.41Å; E525-E529 PolarHBondContact O-N 3.31Å; K526-E529 PolarHBondContact O-N 3.2Å; Q527-E529 VanDerWaalsContact C-N 3.3Å; E529-R531 PolarHBondContact O-N 3.46Å; E529-A532 WeakPolarHBondContact O-CB 3.5Å; E529-A532 PolarHBondContact O-N 2.85Å; E529-V533 WeakPolarHBondContact O-CG2 3.38Å; E529-V533 PolarHBondContact O-N 3.48Å
530A90.2Very high85.8Confident0 Ų044.6 Ų44.60%021%0.213CC..Hα-helixtrans-60.1-47.6177.900000111.4L464 F474 L477 V478 K526 Q527 V533 I534L464-A530 HydrophobicContact CD1-CB 3.93Å; F474-A530 HydrophobicContact CD2-CB 4.4Å; F474-A530 HydrophobicContact CE2-CB 3.85Å; F474-A530 HydrophobicContact CZ-CB 4.21Å; L477-A530 HydrophobicContact CB-CB 4.31Å; L477-A530 HydrophobicContact CD2-CB 3.75Å; L477-A530 HydrophobicContact CG-CB 3.78Å; V478-A530 HydrophobicContact CG2-CB 3.74Å; K526-A530 VanDerWaalsContact O-CB 3.32Å; K526-A530 WeakPolarHBondContact O-CB 3.42Å; K526-A530 PolarHBondContact O-N 3.01Å; Q527-A530 PolarHBondContact O-N 3.12Å; A530-V533 PolarHBondContact O-N 2.82Å; A530-I534 PolarHBondContact O-N 3.02Å
531R91.5Very high85.7Confident9 Ų937 Ų373%0.03419%0.185CC..Hα-helixtrans-64.3-42.9175.2173.3162.1-73.2-75.9-7.9112.2V478 S481 P482 N485 Q527 E529 V533 I534 E535V478-R531 HydrophobicContact CG1-CB 4.21Å; V478-R531 PolarHBondContact O-NE 2.86Å; V478-R531 PolarHBondContact O-NH2 3.06Å; V478-R531 VanDerWaalsContact O-NH2 3.15Å; S481-R531 PolarHBondContact O-NE 3.43Å; P482-R531 WeakPolarHBondContact O-CD 3.35Å; P482-R531 PolarHBondContact O-NE 3.38Å; N485-R531 HydrophobicContact CB-CG 3.88Å; Q527-R531 PolarHBondContact O-N 3.43Å; E529-R531 PolarHBondContact O-N 3.46Å; R531-V533 PolarHBondContact O-N 3.05Å; R531-I534 PolarHBondContact O-N 2.88Å; R531-I534 VanDerWaalsContact O-N 3.12Å; R531-E535 WeakPolarHBondContact CD-OE1 3.48Å; R531-E535 HydrophobicContact CG-CG 3.95Å; R531-E535 IonicContact CZ-OE1 3.89Å; R531-E535 IonicContact NE-OE1 3.05Å; R531-E535 IonicContact NH1-OE1 3.71Å; R531-E535 PolarHBondContact NH1-OE1 2.6Å; R531-E535 PolarHBondContact O-N 3.19Å
532A86.4Confident85.7Confident2 Ų236.6 Ų36.62%0.01718%0.179CC..Hα-helixtrans-54.2-43.2176.300000111F497 I528 E529 I534 H536F497-A532 HydrophobicContact CE2-CB 4.24Å; F497-A532 WeakPolarHBondContact CE2-O 2.96Å; F497-A532 HydrophobicContact CZ-CB 3.86Å; I528-A532 VanDerWaalsContact O-CB 3.26Å; I528-A532 WeakPolarHBondContact O-CB 3.37Å; I528-A532 PolarHBondContact O-N 2.78Å; E529-A532 WeakPolarHBondContact O-CB 3.5Å; E529-A532 PolarHBondContact O-N 2.85Å; A532-I534 PolarHBondContact O-N 2.88Å; A532-H536 WeakPolarHBondContact O-CB 3.38Å; A532-H536 PolarHBondContact O-N 3.3Å
533V83.9Confident85.5Confident1 Ų132.5 Ų32.51%0.00615%0.15CC..Hα-helixtrans-59.3-47.5177.6169.80000111.9T456 A460 F497 E529 A530 R531 Q537T456-V533 HydrophobicContact CG2-CG1 4.08Å; A460-V533 HydrophobicContact CB-CB 4.32Å; A460-V533 HydrophobicContact CB-CG1 3.93Å; A460-V533 HydrophobicContact CB-CG2 3.91Å; F497-V533 HydrophobicContact CD1-CG2 4.43Å; F497-V533 HydrophobicContact CD2-CB 4.49Å; F497-V533 HydrophobicContact CD2-CG2 4.03Å; F497-V533 HydrophobicContact CE1-CG2 4.23Å; F497-V533 HydrophobicContact CE2-CB 4.32Å; F497-V533 HydrophobicContact CE2-CG2 3.87Å; F497-V533 HydrophobicContact CG-CG2 4.29Å; F497-V533 HydrophobicContact CZ-CG2 3.91Å; E529-V533 WeakPolarHBondContact O-CG2 3.38Å; E529-V533 PolarHBondContact O-N 3.48Å; A530-V533 PolarHBondContact O-N 2.82Å; R531-V533 PolarHBondContact O-N 3.05Å; V533-Q537 WeakPolarHBondContact O-CB 3.25Å; V533-Q537 VanDerWaalsContact O-CG 3.23Å; V533-Q537 WeakPolarHBondContact O-CG 3.15Å; V533-Q537 PolarHBondContact O-N 2.82Å
534I87.6Confident85.1Confident4 Ų425.7 Ų25.72%0.02112%0.122CC..Hα-helixtrans-71.1-49.3-177.5-62-58.4000112.1R457 F474 V478 A530 R531 A532 H536 Q537 C538 I569 T572R457-I534 HydrophobicContact CG-CD1 4.05Å; F474-I534 HydrophobicContact CE1-CD1 3.88Å; F474-I534 HydrophobicContact CE1-CG1 4.1Å; V478-I534 HydrophobicContact CG1-CG1 4.38Å; V478-I534 HydrophobicContact CG2-CG1 3.91Å; A530-I534 PolarHBondContact O-N 3.02Å; R531-I534 PolarHBondContact O-N 2.88Å; R531-I534 VanDerWaalsContact O-N 3.12Å; A532-I534 PolarHBondContact O-N 2.88Å; I534-H536 PolarHBondContact O-N 2.86Å; I534-Q537 PolarHBondContact O-N 2.77Å; I534-C538 PolarHBondContact O-N 3.42Å; I534-C538 PolarHBondContact O-SG 2.94Å; I534-C538 VanDerWaalsContact O-SG 3.33Å; I534-I569 HydrophobicContact CD1-CD1 4.33Å; I534-I569 HydrophobicContact CD1-CG1 4.02Å; I534-I569 HydrophobicContact CG2-CG1 4.32Å; I534-T572 HydrophobicContact CG2-CG2 4.02Å
535E87.7Confident84.6Confident8 Ų824.7 Ų24.74%0.03712%0.118CC..Hα-helixtrans-62.5-45-179.6-76.1-173.7176.800111.3P483 G484 R531 Q537 C538 L539 T572P483-E535 WeakPolarHBondContact CA-OE1 3.24Å; G484-E535 WeakPolarHBondContact CA-OE2 3.34Å; G484-E535 PolarHBondContact N-OE1 2.65Å; G484-E535 PolarHBondContact N-OE2 3.06Å; R531-E535 WeakPolarHBondContact CD-OE1 3.48Å; R531-E535 HydrophobicContact CG-CG 3.95Å; R531-E535 IonicContact CZ-OE1 3.89Å; R531-E535 IonicContact NE-OE1 3.05Å; R531-E535 IonicContact NH1-OE1 3.71Å; R531-E535 PolarHBondContact NH1-OE1 2.6Å; R531-E535 PolarHBondContact O-N 3.19Å; E535-Q537 VanDerWaalsContact C-N 3.31Å; E535-Q537 PolarHBondContact O-N 3.19Å; E535-C538 PolarHBondContact O-N 2.97Å; E535-C538 VanDerWaalsContact O-N 3.12Å; E535-L539 WeakPolarHBondContact O-CB 3.17Å; E535-L539 WeakPolarHBondContact O-CG 3.49Å; E535-L539 PolarHBondContact O-N 3.21Å; E535-T572 HydrophobicContact CB-CG2 4.39Å; E535-T572 HydrophobicContact CG-CG2 3.72Å
536H79Confident84.1Confident18 Ų1823 Ų238%0.08311%0.107CC..Hα-helixtrans-60.9-41.6179.2-177.167.7000112G490 G495 V496 F497 A532 I534 C538 L539 A540G490-H536 PolarHBondContact O-CE1 2.99Å; G490-H536 PolarHBondContact O-ND1 2.92Å; G495-H536 PolarHBondContact O-CE1 3.42Å; G495-H536 PolarHBondContact O-NE2 3.12Å; V496-H536 WeakPolarHBondContact CA-NE2 3.44Å; F497-H536 HydrophobicContact CD2-CB 4.13Å; F497-H536 AromaticContact CD2-CD2 3.95Å; F497-H536 HydrophobicContact CE2-CB 3.85Å; A532-H536 WeakPolarHBondContact O-CB 3.38Å; A532-H536 PolarHBondContact O-N 3.3Å; I534-H536 PolarHBondContact O-N 2.86Å; H536-C538 VanDerWaalsContact C-N 3.3Å; H536-C538 PolarHBondContact O-N 2.75Å; H536-L539 PolarHBondContact O-N 2.77Å; H536-A540 WeakPolarHBondContact O-CB 2.96Å; H536-A540 PolarHBondContact O-N 3.32Å
537Q80.4Confident83.4Confident9 Ų920.6 Ų20.64%0.04210%0.097CC..Hα-helixtrans-62.9-36.9176.2-80.3-170.4-14.900113.2G453 R457 V533 I534 E535 K541G453-Q537 PolarHBondContact O-NE2 2.9Å; R457-Q537 VanDerWaalsContact CD-OE1 3.28Å; V533-Q537 WeakPolarHBondContact O-CB 3.25Å; V533-Q537 VanDerWaalsContact O-CG 3.23Å; V533-Q537 WeakPolarHBondContact O-CG 3.15Å; V533-Q537 PolarHBondContact O-N 2.82Å; I534-Q537 PolarHBondContact O-N 2.77Å; E535-Q537 VanDerWaalsContact C-N 3.31Å; E535-Q537 PolarHBondContact O-N 3.19Å; Q537-K541 VanDerWaalsContact O-CG 3.27Å; Q537-K541 WeakPolarHBondContact O-CG 3.31Å; Q537-K541 PolarHBondContact O-N 3.1Å; Q537-K541 PolarHBondContact O-NZ 3.13Å; Q537-K541 VanDerWaalsContact O-NZ 3.14Å
538C86.4Confident82.4Confident4 Ų418.3 Ų18.33%0.0279%0.086CC..Hα-helixtrans-71.2-43.3176.2-64.30000110.7I534 E535 H536 A540 K541 R542 T572 L573 V576I534-C538 PolarHBondContact O-N 3.42Å; I534-C538 PolarHBondContact O-SG 2.94Å; I534-C538 VanDerWaalsContact O-SG 3.33Å; E535-C538 PolarHBondContact O-N 2.97Å; E535-C538 VanDerWaalsContact O-N 3.12Å; H536-C538 VanDerWaalsContact C-N 3.3Å; H536-C538 PolarHBondContact O-N 2.75Å; C538-A540 PolarHBondContact O-N 2.66Å; C538-K541 WeakPolarHBondContact O-CB 3.5Å; C538-K541 PolarHBondContact O-N 3.17Å; C538-R542 PolarHBondContact O-N 3.41Å; C538-T572 HydrophobicContact CB-CG2 4.28Å; C538-L573 HydrophobicContact CB-CD1 4.45Å; C538-V576 HydrophobicContact CB-CB 3.91Å; C538-V576 HydrophobicContact CB-CG1 3.95Å; C538-V576 HydrophobicContact CB-CG2 3.74Å
539L83.1Confident81.6Confident22 Ų2217.1 Ų17.112%0.1158%0.083CC..Hα-helixtrans-62.4-42.6177.1-75.3165.7000111.6E535 H536 K541 R542 L543 V576 I634E535-L539 WeakPolarHBondContact O-CB 3.17Å; E535-L539 WeakPolarHBondContact O-CG 3.49Å; E535-L539 PolarHBondContact O-N 3.21Å; H536-L539 PolarHBondContact O-N 2.77Å; L539-K541 VanDerWaalsContact C-N 3.27Å; L539-K541 PolarHBondContact O-N 2.88Å; L539-R542 PolarHBondContact O-N 3.1Å; L539-L543 WeakPolarHBondContact O-CB 3.37Å; L539-L543 PolarHBondContact O-N 3.39Å; L539-V576 HydrophobicContact CD2-CG1 3.88Å; L539-V576 HydrophobicContact CD2-CG2 4.43Å; L539-V576 HydrophobicContact CG-CG1 4.1Å; L539-V576 HydrophobicContact CG-CG2 4.25Å; L539-I634 HydrophobicContact CD2-CG2 3.96Å
540A76.5Confident80.9Confident10 Ų1016.7 Ų16.78%0.0838%0.081CC..Hα-helixtrans-63.4-33177.500000112.5R451 V496 H536 C538 S544R451-A540 PolarHBondContact NH2-O 2.86Å; V496-A540 HydrophobicContact CG2-CB 4.34Å; H536-A540 WeakPolarHBondContact O-CB 2.96Å; H536-A540 PolarHBondContact O-N 3.32Å; C538-A540 PolarHBondContact O-N 2.66Å; A540-S544 VanDerWaalsContact O-CB 3.27Å; A540-S544 WeakPolarHBondContact O-CB 3.46Å; A540-S544 PolarHBondContact O-N 3.12Å; A540-S544 VanDerWaalsContact O-N 3.1Å
541K80.7Confident79.6Confident12 Ų1224.8 Ų24.85%0.05211%0.111CC..Hα-helixtrans-67.3-50.8171.5-71.7174.5-17472.10110.6I414 D420 V422 Q537 C538 L539 L543 S544 S545 F577I414-K541 HydrophobicContact CD1-CD 4.44Å; I414-K541 HydrophobicContact CG2-CD 4.42Å; D420-K541 WeakPolarHBondContact OD2-CE 3.22Å; D420-K541 IonicContact OD2-NZ 3.03Å; D420-K541 PolarHBondContact OD2-NZ 3.06Å; V422-K541 HydrophobicContact CG2-CB 3.86Å; V422-K541 HydrophobicContact CG2-CD 3.76Å; V422-K541 HydrophobicContact CG2-CG 3.59Å; Q537-K541 VanDerWaalsContact O-CG 3.27Å; Q537-K541 WeakPolarHBondContact O-CG 3.31Å; Q537-K541 PolarHBondContact O-N 3.1Å; Q537-K541 PolarHBondContact O-NZ 3.13Å; Q537-K541 VanDerWaalsContact O-NZ 3.14Å; C538-K541 WeakPolarHBondContact O-CB 3.5Å; C538-K541 PolarHBondContact O-N 3.17Å; L539-K541 VanDerWaalsContact C-N 3.27Å; L539-K541 PolarHBondContact O-N 2.88Å; K541-L543 PolarHBondContact O-N 3.05Å; K541-S544 WeakPolarHBondContact O-CB 2.93Å; K541-S544 PolarHBondContact O-N 3.17Å; K541-S545 PolarHBondContact O-N 3.34Å; K541-S545 PolarHBondContact O-OG 3.2Å; K541-S545 VanDerWaalsContact O-OG 3.12Å; K541-F577 HydrophobicContact CB-CE2 4.24Å; K541-F577 HydrophobicContact CB-CZ 4.11Å
542R83Confident78.3Confident31 Ų3127.2 Ų27.212%0.11713%0.129CC..Hα-helixtrans-55.5-53.4178.2-177173.2172.6164.24.8111.3C538 L539 S544 S545 Y546 V576 F577 H636 I639C538-R542 PolarHBondContact O-N 3.41Å; L539-R542 PolarHBondContact O-N 3.1Å; R542-S544 VanDerWaalsContact C-N 3.31Å; R542-S544 PolarHBondContact O-N 3.33Å; R542-S545 PolarHBondContact O-N 2.92Å; R542-Y546 HydrophobicContact CG-CD2 3.86Å; R542-Y546 HydrophobicContact CG-CE2 3.54Å; R542-Y546 WeakPolarHBondContact O-CD2 3.17Å; R542-Y546 PolarHBondContact O-N 3.49Å; R542-Y546 VanDerWaalsContact O-N 3.15Å; R542-V576 HydrophobicContact CB-CG1 4.16Å; R542-V576 WeakPolarHBondContact CD-O 3.39Å; R542-V576 PolarHBondContact NH1-O 3.41Å; R542-F577 HydrophobicContact CB-CD1 4.25Å; R542-F577 HydrophobicContact CB-CD2 4.22Å; R542-F577 HydrophobicContact CB-CE1 3.8Å; R542-F577 HydrophobicContact CB-CE2 3.77Å; R542-F577 HydrophobicContact CB-CG 4.46Å; R542-F577 HydrophobicContact CB-CZ 3.57Å; R542-F577 HydrophobicContact CG-CD1 4.13Å; R542-F577 HydrophobicContact CG-CE1 4.01Å; R542-F577 HydrophobicContact CG-CZ 4.3Å; R542-F577 VanDerWaalsContact N-CZ 3.3Å; R542-H636 PolarHBondContact NH1-CE1 2.62Å; R542-H636 PolarHBondContact NH1-ND1 2.95Å; R542-I639 HydrophobicContact CG-CD1 3.98Å
543L78.1Confident77.7Confident34 Ų3436 Ų3618%0.17817%0.167CC..Hα-helixtrans-56.5-44.6178.1178.563.3000111.8L539 K541 Y546 K547 I639L539-L543 WeakPolarHBondContact O-CB 3.37Å; L539-L543 PolarHBondContact O-N 3.39Å; K541-L543 PolarHBondContact O-N 3.05Å; L543-Y546 PolarHBondContact O-N 2.94Å; L543-K547 HydrophobicContact CD1-CD 4.32Å; L543-K547 HydrophobicContact CD1-CG 4.37Å; L543-K547 HydrophobicContact CG-CD 4.27Å; L543-K547 WeakPolarHBondContact O-CB 3.29Å; L543-K547 WeakPolarHBondContact O-CG 3.41Å; L543-K547 PolarHBondContact O-N 2.65Å; L543-I639 HydrophobicContact CB-CG1 4.32Å; L543-I639 HydrophobicContact CD1-CB 4.1Å; L543-I639 HydrophobicContact CD1-CG1 4.11Å; L543-I639 HydrophobicContact CD1-CG2 3.61Å
544S73.8Confident77.7Confident10 Ų1036.5 Ų36.57%0.0717%0.17CC..Hα-helixtrans-60.9-47.9179.2-162.20000111.7R451 A540 K541 R542 Y546 K547 T548R451-S544 PolarHBondContact NE-OG 3.37Å; A540-S544 VanDerWaalsContact O-CB 3.27Å; A540-S544 WeakPolarHBondContact O-CB 3.46Å; A540-S544 PolarHBondContact O-N 3.12Å; A540-S544 VanDerWaalsContact O-N 3.1Å; K541-S544 WeakPolarHBondContact O-CB 2.93Å; K541-S544 PolarHBondContact O-N 3.17Å; R542-S544 VanDerWaalsContact C-N 3.31Å; R542-S544 PolarHBondContact O-N 3.33Å; S544-Y546 VanDerWaalsContact C-N 3.32Å; S544-Y546 PolarHBondContact O-N 3.33Å; S544-K547 PolarHBondContact O-N 3.49Å; S544-K547 VanDerWaalsContact O-N 3.1Å; S544-T548 WeakPolarHBondContact O-CG2 3.47Å; S544-T548 PolarHBondContact O-N 3.15Å; S544-T548 PolarHBondContact O-OG1 3.21Å
545S76.5Confident77.6Confident3 Ų340.6 Ų40.62%0.02119%0.189CC..Hα-helixtrans-58.6-44.6180-56.60000111.4V422 K541 R542 K547 T548 M550V422-S545 WeakPolarHBondContact CG1-OG 3.32Å; K541-S545 PolarHBondContact O-N 3.34Å; K541-S545 PolarHBondContact O-OG 3.2Å; K541-S545 VanDerWaalsContact O-OG 3.12Å; R542-S545 PolarHBondContact O-N 2.92Å; S545-K547 PolarHBondContact O-N 3.04Å; S545-T548 PolarHBondContact O-N 3.46Å; S545-T548 PolarHBondContact O-OG1 3.01Å; S545-M550 VanDerWaalsContact C-CB 3.47Å; S545-M550 VanDerWaalsContact CB-SD 3.6Å; S545-M550 WeakPolarHBondContact O-CB 3.35Å; S545-M550 PolarHBondContact O-N 2.88Å
546Y79.7Confident77.6Confident85 Ų8541.3 Ų41.333%0.33319%0.191SC..Hα-helixtrans-62.7-40.5175.1-77.7-67.6000112.7R542 L543 S544 T548 G549 M550 R551R542-Y546 HydrophobicContact CG-CD2 3.86Å; R542-Y546 HydrophobicContact CG-CE2 3.54Å; R542-Y546 WeakPolarHBondContact O-CD2 3.17Å; R542-Y546 PolarHBondContact O-N 3.49Å; R542-Y546 VanDerWaalsContact O-N 3.15Å; L543-Y546 PolarHBondContact O-N 2.94Å; S544-Y546 VanDerWaalsContact C-N 3.32Å; S544-Y546 PolarHBondContact O-N 3.33Å; Y546-T548 VanDerWaalsContact C-N 3.35Å; Y546-T548 PolarHBondContact O-N 2.7Å; Y546-G549 PolarHBondContact O-N 3.19Å; Y546-M550 HydrophobicContact CD1-CE 3.99Å; Y546-M550 WeakPolarHBondContact CD1-O 3.23Å; Y546-M550 HydrophobicContact CD2-CE 3.98Å; Y546-M550 HydrophobicContact CE1-CE 3.76Å; Y546-M550 HydrophobicContact CE2-CE 3.7Å; Y546-M550 HydrophobicContact CG-CE 4.09Å; Y546-R551 PolarHBondContact O-NH1 2.96Å
547K75.7Confident78.1Confident71 Ų7140.4 Ų40.431%0.30919%0.187SC..Hα-helixtrans-67.4-32.5178.7-78.2-173.7170.9-173.60113.3I432 L543 S544 S545 G549 H642I432-K547 HydrophobicContact CD1-CB 4.25Å; I432-K547 HydrophobicContact CG2-CB 4.24Å; L543-K547 HydrophobicContact CD1-CD 4.32Å; L543-K547 HydrophobicContact CD1-CG 4.37Å; L543-K547 HydrophobicContact CG-CD 4.27Å; L543-K547 WeakPolarHBondContact O-CB 3.29Å; L543-K547 WeakPolarHBondContact O-CG 3.41Å; L543-K547 PolarHBondContact O-N 2.65Å; S544-K547 PolarHBondContact O-N 3.49Å; S544-K547 VanDerWaalsContact O-N 3.1Å; S545-K547 PolarHBondContact O-N 3.04Å; K547-G549 PolarHBondContact O-N 2.69Å; K547-H642 VanDerWaalsContact CE-O 3.23Å; K547-H642 WeakPolarHBondContact CE-O 3.47Å; K547-H642 PolarHBondContact NZ-O 2.69Å
548T72.2Confident78.4Confident4 Ų440 Ų403%0.02519%0.185CC..THydrogen-bonded Turntrans-78.6-1.7177.9550000113.7P429 I430 I432 S544 S545 Y546P429-T548 CarbonylContact C-O 3.47Å; P429-T548 WeakPolarHBondContact CA-O 3.39Å; I430-T548 PolarHBondContact N-O 3.13Å; I432-T548 HydrophobicContact CD1-CG2 3.6Å; I432-T548 HydrophobicContact CG1-CG2 3.97Å; S544-T548 WeakPolarHBondContact O-CG2 3.47Å; S544-T548 PolarHBondContact O-N 3.15Å; S544-T548 PolarHBondContact O-OG1 3.21Å; S545-T548 PolarHBondContact O-N 3.46Å; S545-T548 PolarHBondContact O-OG1 3.01Å; Y546-T548 VanDerWaalsContact C-N 3.35Å; Y546-T548 PolarHBondContact O-N 2.7Å
549G73Confident78.3Confident11 Ų1139.8 Ų39.811%0.11318%0.184CC..THydrogen-bonded Turntrans106.214.6177.100000114.8Y546 K547 R551Y546-G549 PolarHBondContact O-N 3.19Å; K547-G549 PolarHBondContact O-N 2.69Å; G549-R551 WeakPolarHBondContact O-CG 3.45Å; G549-R551 PolarHBondContact O-N 3.39Å
550M73.6Confident78.2Confident3 Ų339.4 Ų39.42%0.01518%0.182CC..  trans-60.7104.5163.9-166.3176.776.100108.4L412 V424 S545 Y546 M554L412-M550 HydrophobicContact CD1-SD 4.3Å; V424-M550 HydrophobicContact CG1-CB 3.96Å; V424-M550 HydrophobicContact CG1-CG 3.91Å; V424-M550 HydrophobicContact CG1-SD 4.2Å; S545-M550 VanDerWaalsContact C-CB 3.47Å; S545-M550 VanDerWaalsContact CB-SD 3.6Å; S545-M550 WeakPolarHBondContact O-CB 3.35Å; S545-M550 PolarHBondContact O-N 2.88Å; Y546-M550 HydrophobicContact CD1-CE 3.99Å; Y546-M550 WeakPolarHBondContact CD1-O 3.23Å; Y546-M550 HydrophobicContact CD2-CE 3.98Å; Y546-M550 HydrophobicContact CE1-CE 3.76Å; Y546-M550 HydrophobicContact CE2-CE 3.7Å; Y546-M550 HydrophobicContact CG-CE 4.09Å; M550-M554 HydrophobicContact CE-CG 4.38Å; M550-M554 HydrophobicContact CG-CE 3.71Å; M550-M554 HydrophobicContact CG-CG 4.15Å; M550-M554 HydrophobicContact SD-CE 4.12Å; M550-M554 HydrophobicContact SD-CG 3.53Å; M550-M554 VanDerWaalsContact SD-CG 3.53Å; M550-M554 HydrophobicContact SD-SD 4.31Å
551R63.6Low78.1Confident170 Ų17040.2 Ų40.264%0.64219%0.191SC*.  trans-120.8-25.8179.3-64.8-69.8-178.6-101.40.6111.8Y546 G549Y546-R551 PolarHBondContact O-NH1 2.96Å; G549-R551 WeakPolarHBondContact O-CG 3.45Å; G549-R551 PolarHBondContact O-N 3.39Å
552S64.4Low77.8Confident59 Ų5942.3 Ų42.341%0.41322%0.216SC..SBendtrans-67.2143.5173.142.70000110.5M554S552-M554 PolarHBondContact O-N 3.25Å; S552-M554 VanDerWaalsContact O-N 3.1Å; S552-M554 VanDerWaalsContact OG-CE 3.24Å; S552-M554 WeakPolarHBondContact OG-CE 3.41Å
553K73.9Confident77.8Confident186 Ų18641.6 Ų41.681%0.80922%0.217SC*.  trans-63.7111.5170.8-173.2176.9-178.5-178.90107.7
554M82.4Confident78.1Confident13 Ų1340.2 Ų40.26%0.06421%0.21CC..  trans-70.5144.6169.8-66.7-64.1136.400108.7S410 L412 V424 M550 S552 L579S410-M554 CarbonylContact O-C 3.17Å; S410-M554 WeakPolarHBondContact O-CA 3.4Å; S410-M554 VanDerWaalsContact O-SD 3.33Å; L412-M554 HydrophobicContact CB-CG 4.44Å; L412-M554 HydrophobicContact CB-SD 4.27Å; V424-M554 HydrophobicContact CG1-CE 4.44Å; M550-M554 HydrophobicContact CE-CG 4.38Å; M550-M554 HydrophobicContact CG-CE 3.71Å; M550-M554 HydrophobicContact CG-CG 4.15Å; M550-M554 HydrophobicContact SD-CE 4.12Å; M550-M554 HydrophobicContact SD-CG 3.53Å; M550-M554 VanDerWaalsContact SD-CG 3.53Å; M550-M554 HydrophobicContact SD-SD 4.31Å; S552-M554 PolarHBondContact O-N 3.25Å; S552-M554 VanDerWaalsContact O-N 3.1Å; S552-M554 VanDerWaalsContact OG-CE 3.24Å; S552-M554 WeakPolarHBondContact OG-CE 3.41Å; M554-L579 HydrophobicContact CB-CD1 3.6Å; M554-L579 WeakPolarHBondContact O-CD2 2.93Å
555E86.1Confident78.8Confident89 Ų8945.1 Ų45.142%0.41624%0.236SC..  trans-107.2-24.7-177.5-72.9-175.6-153.200112.8R408 S410 P580R408-E555 IonicContact CZ-OE1 2.77Å; R408-E555 IonicContact CZ-OE2 3.89Å; R408-E555 VanDerWaalsContact NH1-CD 3.27Å; R408-E555 IonicContact NH1-OE1 3.54Å; R408-E555 PolarHBondContact NH1-OE1 3.37Å; R408-E555 IonicContact NH1-OE2 3.77Å; R408-E555 PolarHBondContact NH1-OE2 3.41Å; R408-E555 IonicContact NH2-OE2 2.68Å; R408-E555 PolarHBondContact NH2-OE2 2.74Å; S410-E555 PolarHBondContact O-N 2.86Å; E555-P580 WeakPolarHBondContact O-CD 3.34Å
556R88.3Confident79.5Confident23 Ų2345.5 Ų45.59%0.08724%0.238CC..EExtended strand (participates in β ladder)trans-166.1165.8-178.959.2-170.8173.1-1725.5112N406 D411 L412 L558 P580 Y582N406-R556 PolarHBondContact O-NH2 3.44Å; D411-R556 WeakPolarHBondContact OD1-CG 3.43Å; D411-R556 IonicContact OD1-CZ 2.58Å; D411-R556 IonicContact OD1-NE 2.86Å; D411-R556 PolarHBondContact OD1-NE 2.81Å; D411-R556 IonicContact OD1-NH2 2.68Å; D411-R556 PolarHBondContact OD1-NH2 3.35Å; D411-R556 IonicContact OD2-CZ 2.83Å; D411-R556 IonicContact OD2-NE 2.56Å; D411-R556 PolarHBondContact OD2-NE 3.2Å; D411-R556 IonicContact OD2-NH2 2.62Å; D411-R556 PolarHBondContact OD2-NH2 3.46Å; L412-R556 PolarHBondContact N-O 3.01Å; L412-R556 VanDerWaalsContact N-O 3.07Å; R556-L558 HydrophobicContact CG-CD2 4.46Å; R556-P580 WeakPolarHBondContact CA-O 3.41Å; R556-P580 HydrophobicContact CB-CG 3.94Å; R556-Y582 HydrophobicContact CB-CD2 3.94Å; R556-Y582 HydrophobicContact CB-CE2 3.73Å; R556-Y582 HydrophobicContact CG-CD2 4.4Å; R556-Y582 HydrophobicContact CG-CE2 4.34Å
557I88.7Confident80.1Confident0 Ų043.8 Ų43.80%025%0.247CC..EExtended strand (participates in β ladder)trans-113.7134.1175.2-51.9-178000109.8L412 I414 V559 L573 F577 L579 P580 V581 Y582L412-I557 HydrophobicContact CB-CG1 4.37Å; L412-I557 HydrophobicContact CD2-CD1 4.13Å; L412-I557 HydrophobicContact CD2-CG1 4.05Å; L412-I557 HydrophobicContact CD2-CG2 4.47Å; L412-I557 CarbonylContact O-C 3.58Å; L412-I557 VanDerWaalsContact O-CA 3.24Å; L412-I557 WeakPolarHBondContact O-CA 3.44Å; I414-I557 HydrophobicContact CD1-CG2 3.88Å; I414-I557 HydrophobicContact CG1-CG2 4.06Å; I557-V559 HydrophobicContact CG2-CG1 3.96Å; I557-L573 HydrophobicContact CD1-CD1 4.4Å; I557-L573 HydrophobicContact CD1-CD2 4.34Å; I557-L573 HydrophobicContact CD1-CG 3.86Å; I557-L573 HydrophobicContact CG2-CD2 3.92Å; I557-F577 HydrophobicContact CD1-CB 3.58Å; I557-F577 HydrophobicContact CD1-CD1 4.18Å; I557-F577 HydrophobicContact CD1-CD2 3.85Å; I557-F577 HydrophobicContact CD1-CG 3.61Å; I557-L579 HydrophobicContact CD1-CB 4.19Å; I557-L579 HydrophobicContact CD1-CD1 4.33Å; I557-L579 HydrophobicContact CG1-CB 3.91Å; I557-L579 HydrophobicContact CG1-CD1 3.89Å; I557-P580 PolarHBondContact N-O 3.44Å; I557-V581 HydrophobicContact CB-CG1 4.46Å; I557-V581 HydrophobicContact CB-CG2 4.14Å; I557-V581 HydrophobicContact CD1-CG2 4.3Å; I557-V581 CarbonylContact O-C 3.58Å; I557-V581 WeakPolarHBondContact O-CA 3.36Å; I557-Y582 PolarHBondContact O-N 3.34Å
558L86.1Confident80.9Confident0 Ų041 Ų410%024%0.235CC..EExtended strand (participates in β ladder)trans-109.6121.6175.3-52.6179.1000108.7I388 Q407 D411 L412 S413 I414 R556 Y582 P619I388-L558 HydrophobicContact CG2-CB 3.88Å; I388-L558 HydrophobicContact CG2-CD1 4.18Å; Q407-L558 HydrophobicContact CG-CD1 3.77Å; D411-L558 HydrophobicContact CB-CD1 4.23Å; L412-L558 PolarHBondContact O-N 2.83Å; S413-L558 CarbonylContact C-O 3.57Å; S413-L558 VanDerWaalsContact CA-O 3.3Å; S413-L558 WeakPolarHBondContact CA-O 3.05Å; I414-L558 PolarHBondContact N-O 3.19Å; R556-L558 HydrophobicContact CG-CD2 4.46Å; L558-Y582 CarbonylContact C-O 3.33Å; L558-Y582 WeakPolarHBondContact CA-O 3.2Å; L558-Y582 HydrophobicContact CD2-CD2 4.34Å; L558-Y582 HydrophobicContact CD2-CG 4.42Å; L558-P619 HydrophobicContact CD2-CB 3.84Å
559V86Confident81.9Confident0 Ų041.3 Ų41.30%024%0.237CC..EExtended strand (participates in β ladder)trans-114.5146.9-175.6-64.10000112.3I414 L416 I557 L570 L573 V581 Y582 K583 K584 V623I414-V559 HydrophobicContact CB-CG1 4.44Å; I414-V559 VanDerWaalsContact O-CA 3.3Å; I414-V559 WeakPolarHBondContact O-CA 3.23Å; L416-V559 HydrophobicContact CD1-CG1 4.39Å; I557-V559 HydrophobicContact CG2-CG1 3.96Å; V559-L570 HydrophobicContact CB-CD2 4.09Å; V559-L570 HydrophobicContact CG1-CD2 3.98Å; V559-L570 HydrophobicContact CG2-CD2 3.64Å; V559-L573 HydrophobicContact CG1-CD2 3.71Å; V559-V581 HydrophobicContact CB-CG1 4.31Å; V559-V581 HydrophobicContact CG1-CG1 3.58Å; V559-V581 HydrophobicContact CG2-CG1 3.76Å; V559-Y582 WeakPolarHBondContact CG2-O 3.36Å; V559-Y582 PolarHBondContact N-O 3.2Å; V559-K583 HydrophobicContact CG2-CB 3.98Å; V559-K583 HydrophobicContact CG2-CG 4.24Å; V559-K584 PolarHBondContact O-N 3.16Å; V559-V623 HydrophobicContact CG2-CG2 4.43Å
560T80.2Confident82.9Confident13 Ų1341.1 Ų41.18%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-146-177.6168.4-164.50000110.1I388 I414 L416 K584I388-T560 HydrophobicContact CD1-CG2 3.66Å; I388-T560 HydrophobicContact CG1-CG2 4.2Å; I414-T560 PolarHBondContact O-N 3.37Å; I414-T560 VanDerWaalsContact O-N 3.11Å; L416-T560 PolarHBondContact N-O 3.27Å; T560-K584 PolarHBondContact OG1-O 2.83Å
561G74Confident84Confident27 Ų2743 Ų4328%0.27824%0.242SC..SBendtrans88.8170.117900000113.9L416 A563 S564L416-G561 CarbonylContact O-C 3.57Å; L416-G561 VanDerWaalsContact O-C 3.24Å; L416-G561 WeakPolarHBondContact O-CA 3.35Å; G561-A563 PolarHBondContact O-N 2.83Å; G561-S564 VanDerWaalsContact O-CB 3.31Å; G561-S564 WeakPolarHBondContact O-CB 3.3Å; G561-S564 PolarHBondContact O-N 3.37Å; G561-S564 PolarHBondContact O-OG 2.68Å
562G74.9Confident85.5Confident56 Ų5635 Ų3558%0.57721%0.212SC*.G310 helixtrans-60.9-39.1-17100000114.2L416 S564 N565L416-G562 PolarHBondContact O-N 2.8Å; G562-S564 PolarHBondContact O-N 2.97Å; G562-N565 PolarHBondContact O-N 2.82Å; G562-N565 PolarHBondContact O-ND2 3.28Å; G562-N565 VanDerWaalsContact O-ND2 3.08Å
563A81.9Confident86.8Confident16 Ų1632.3 Ų32.313%0.13219%0.193CC..G310 helixtrans-76.3-6.817900000113.3L416 G561 N565 S566 I569L416-A563 HydrophobicContact CB-CB 3.73Å; L416-A563 PolarHBondContact O-N 2.77Å; G561-A563 PolarHBondContact O-N 2.83Å; A563-N565 PolarHBondContact O-N 2.75Å; A563-S566 WeakPolarHBondContact O-CB 3.15Å; A563-S566 PolarHBondContact O-N 2.9Å; A563-S566 VanDerWaalsContact O-N 3.17Å; A563-I569 HydrophobicContact CB-CD1 3.95Å
564S85.6Confident87.8Confident5 Ų523.4 Ų23.44%0.03515%0.154CC..G310 helixtrans-70.9-3.5168.175.90000113.7G561 G562 L570 K583G561-S564 VanDerWaalsContact O-CB 3.31Å; G561-S564 WeakPolarHBondContact O-CB 3.3Å; G561-S564 PolarHBondContact O-N 3.37Å; G561-S564 PolarHBondContact O-OG 2.68Å; G562-S564 PolarHBondContact O-N 2.97Å; S564-L570 WeakPolarHBondContact O-CD1 3.48Å; S564-K583 WeakPolarHBondContact O-CE 3.47Å; S564-K583 VanDerWaalsContact OG-CE 3.25Å; S564-K583 WeakPolarHBondContact OG-CE 3.35Å
565N87.6Confident88.4Confident114 Ų11422.9 Ų22.961%0.6115%0.151SC*.G310 helixtrans-85.5-10.1170.6-62.9-49.3000112.9G562 A563 K583G562-N565 PolarHBondContact O-N 2.82Å; G562-N565 PolarHBondContact O-ND2 3.28Å; G562-N565 VanDerWaalsContact O-ND2 3.08Å; A563-N565 PolarHBondContact O-N 2.75Å; N565-K583 WeakPolarHBondContact OD1-CE 3.47Å; N565-K583 PolarHBondContact OD1-NZ 3.12Å
566S90.9Very high88.6Confident10 Ų1018.6 Ų18.67%0.0713%0.132CC..  trans-86.7109.4179.6178.70000110.8E475 A563 I568 I569 L570E475-S566 WeakPolarHBondContact OE1-CA 3.41Å; E475-S566 WeakPolarHBondContact OE1-CB 3.4Å; E475-S566 PolarHBondContact OE1-OG 3.5Å; A563-S566 WeakPolarHBondContact O-CB 3.15Å; A563-S566 PolarHBondContact O-N 2.9Å; A563-S566 VanDerWaalsContact O-N 3.17Å; S566-I568 PolarHBondContact O-N 2.85Å; S566-I569 PolarHBondContact O-N 3.25Å; S566-I569 WeakPolarHBondContact OG-CG1 3.16Å; S566-I569 PolarHBondContact OG-N 3.4Å; S566-L570 VanDerWaalsContact O-CG 3.31Å; S566-L570 WeakPolarHBondContact O-CG 3.31Å; S566-L570 PolarHBondContact O-N 3.17Å; S566-L570 VanDerWaalsContact O-N 3.12Å
567G93.5Very high88.7Confident50 Ų5018 Ų1852%0.51513%0.129SC..Hα-helixtrans-56.7-37.3176.900000112.6L570 Q571G567-L570 PolarHBondContact O-N 3.38Å; G567-Q571 VanDerWaalsContact O-CB 3.3Å; G567-Q571 WeakPolarHBondContact O-CB 3.44Å; G567-Q571 PolarHBondContact O-N 3.22Å
568I93.3Very high88.9Confident12 Ų1221.3 Ų21.36%0.06215%0.147CC..Hα-helixtrans-64.3-46.3178.5-66.6-179.7000112.1E475 V478 E479 S566 L570 T572E475-I568 VanDerWaalsContact C-CD1 3.43Å; E475-I568 VanDerWaalsContact CA-CD1 3.4Å; E475-I568 HydrophobicContact CB-CD1 3.38Å; E475-I568 HydrophobicContact CB-CG1 4.42Å; E475-I568 HydrophobicContact CG-CD1 3.84Å; E475-I568 WeakPolarHBondContact O-CD1 3.3Å; V478-I568 HydrophobicContact CB-CD1 4.27Å; V478-I568 HydrophobicContact CB-CG2 4.14Å; V478-I568 HydrophobicContact CG1-CG2 3.48Å; V478-I568 VanDerWaalsContact CG1-CG2 3.48Å; E479-I568 HydrophobicContact CB-CD1 4.43Å; E479-I568 HydrophobicContact CG-CD1 3.57Å; E479-I568 HydrophobicContact CG-CG1 4.05Å; E479-I568 WeakPolarHBondContact OE1-CG1 3.42Å; S566-I568 PolarHBondContact O-N 2.85Å; I568-L570 VanDerWaalsContact C-N 3.32Å; I568-L570 PolarHBondContact O-N 3.12Å; I568-T572 VanDerWaalsContact O-CB 3.3Å; I568-T572 WeakPolarHBondContact O-CB 3.46Å; I568-T572 PolarHBondContact O-N 3.33Å; I568-T572 PolarHBondContact O-OG1 3.08Å
569I91.8Very high89.2Confident11 Ų1122.1 Ų22.16%0.05615%0.152CC..Hα-helixtrans-63.3-43.9178.8-66.1174.9000109.5L416 I534 A563 S566 T572 L573L416-I569 HydrophobicContact CD1-CG2 4.03Å; I534-I569 HydrophobicContact CD1-CD1 4.33Å; I534-I569 HydrophobicContact CD1-CG1 4.02Å; I534-I569 HydrophobicContact CG2-CG1 4.32Å; A563-I569 HydrophobicContact CB-CD1 3.95Å; S566-I569 PolarHBondContact O-N 3.25Å; S566-I569 WeakPolarHBondContact OG-CG1 3.16Å; S566-I569 PolarHBondContact OG-N 3.4Å; I569-T572 PolarHBondContact O-N 3.27Å; I569-L573 VanDerWaalsContact O-CB 3.24Å; I569-L573 WeakPolarHBondContact O-CB 2.94Å; I569-L573 PolarHBondContact O-N 3.4Å
570L94.8Very high89.7Confident7 Ų723.6 Ų23.64%0.03716%0.161CC..Hα-helixtrans-65.9-43.2-179.4-63.6-176.7000112.7L416 V559 S564 S566 G567 I568 L573 S574 V581 V623 A624L416-L570 HydrophobicContact CD1-CD2 4.06Å; V559-L570 HydrophobicContact CB-CD2 4.09Å; V559-L570 HydrophobicContact CG1-CD2 3.98Å; V559-L570 HydrophobicContact CG2-CD2 3.64Å; S564-L570 WeakPolarHBondContact O-CD1 3.48Å; S566-L570 VanDerWaalsContact O-CG 3.31Å; S566-L570 WeakPolarHBondContact O-CG 3.31Å; S566-L570 PolarHBondContact O-N 3.17Å; S566-L570 VanDerWaalsContact O-N 3.12Å; G567-L570 PolarHBondContact O-N 3.38Å; I568-L570 VanDerWaalsContact C-N 3.32Å; I568-L570 PolarHBondContact O-N 3.12Å; L570-L573 PolarHBondContact O-N 3.47Å; L570-S574 WeakPolarHBondContact O-CB 3.01Å; L570-S574 PolarHBondContact O-N 3.41Å; L570-V581 HydrophobicContact CD2-CG1 4.14Å; L570-V623 HydrophobicContact CD1-CB 3.94Å; L570-V623 HydrophobicContact CD1-CG2 3.63Å; L570-A624 HydrophobicContact CB-CB 4.36Å
571Q96.9Very high90.3Very high43 Ų4323 Ų2320%0.20116%0.157CC..Hα-helixtrans-64.7-44.4175.8-171.859.962.600111.2G567 L573 S574 D575 E625G567-Q571 VanDerWaalsContact O-CB 3.3Å; G567-Q571 WeakPolarHBondContact O-CB 3.44Å; G567-Q571 PolarHBondContact O-N 3.22Å; Q571-L573 VanDerWaalsContact C-N 3.3Å; Q571-L573 PolarHBondContact O-N 2.82Å; Q571-S574 WeakPolarHBondContact O-CB 3.21Å; Q571-S574 PolarHBondContact O-N 2.97Å; Q571-D575 PolarHBondContact NE2-OD1 3.45Å; Q571-D575 PolarHBondContact O-N 3.01Å; Q571-E625 PolarHBondContact NE2-O 3.28Å
572T93.5Very high91.2Very high1 Ų124 Ų241%0.00615%0.153CC..Hα-helixtrans-63.4-38.6177.2-54.20000111.4I534 E535 C538 I568 I569 V576I534-T572 HydrophobicContact CG2-CG2 4.02Å; E535-T572 HydrophobicContact CB-CG2 4.39Å; E535-T572 HydrophobicContact CG-CG2 3.72Å; C538-T572 HydrophobicContact CB-CG2 4.28Å; I568-T572 VanDerWaalsContact O-CB 3.3Å; I568-T572 WeakPolarHBondContact O-CB 3.46Å; I568-T572 PolarHBondContact O-N 3.33Å; I568-T572 PolarHBondContact O-OG1 3.08Å; I569-T572 PolarHBondContact O-N 3.27Å; T572-V576 HydrophobicContact CG2-CG2 4.08Å; T572-V576 WeakPolarHBondContact O-CB 3.29Å; T572-V576 WeakPolarHBondContact O-CG2 3.33Å; T572-V576 PolarHBondContact O-N 2.93Å
573L92.8Very high91.7Very high2 Ų222.7 Ų22.71%0.0113%0.132CC..Hα-helixtrans-63.6-43175.1-173.968.1000111.4I414 C538 I557 V559 I569 L570 Q571 F577I414-L573 HydrophobicContact CD1-CD1 3.76Å; I414-L573 HydrophobicContact CD1-CD2 4Å; I414-L573 HydrophobicContact CD1-CG 4.36Å; C538-L573 HydrophobicContact CB-CD1 4.45Å; I557-L573 HydrophobicContact CD1-CD1 4.4Å; I557-L573 HydrophobicContact CD1-CD2 4.34Å; I557-L573 HydrophobicContact CD1-CG 3.86Å; I557-L573 HydrophobicContact CG2-CD2 3.92Å; V559-L573 HydrophobicContact CG1-CD2 3.71Å; I569-L573 VanDerWaalsContact O-CB 3.24Å; I569-L573 WeakPolarHBondContact O-CB 2.94Å; I569-L573 PolarHBondContact O-N 3.4Å; L570-L573 PolarHBondContact O-N 3.47Å; Q571-L573 VanDerWaalsContact C-N 3.3Å; Q571-L573 PolarHBondContact O-N 2.82Å; L573-F577 HydrophobicContact CD1-CD2 3.73Å; L573-F577 HydrophobicContact CD1-CE2 3.55Å; L573-F577 HydrophobicContact CG-CD2 4.38Å; L573-F577 WeakPolarHBondContact O-CB 3.39Å; L573-F577 WeakPolarHBondContact O-CD2 3.46Å; L573-F577 PolarHBondContact O-N 3.08Å
574S95.4Very high91.4Very high0 Ų022.3 Ų22.30%013%0.127CC..Hα-helixtrans-60.5-51.4175.8-1650000111.5L570 Q571 V576 F577 D578 L579 E625 P626L570-S574 WeakPolarHBondContact O-CB 3.01Å; L570-S574 PolarHBondContact O-N 3.41Å; Q571-S574 WeakPolarHBondContact O-CB 3.21Å; Q571-S574 PolarHBondContact O-N 2.97Å; S574-V576 PolarHBondContact O-N 3.24Å; S574-F577 PolarHBondContact O-N 3.46Å; S574-D578 WeakPolarHBondContact O-CA 3.2Å; S574-D578 PolarHBondContact O-N 3.4Å; S574-L579 WeakPolarHBondContact CA-O 3.39Å; S574-L579 WeakPolarHBondContact CB-O 3.28Å; S574-L579 PolarHBondContact O-N 2.89Å; S574-L579 PolarHBondContact OG-O 3.06Å; S574-E625 WeakPolarHBondContact OG-CA 3.21Å; S574-P626 WeakPolarHBondContact OG-CD 3.13Å
575D94.7Very high90.4Very high1 Ų127.9 Ų27.91%0.00516%0.156CC..Hα-helixtrans-62.5-43.5179.3-59.7-20.7000111.4Q571 F577 D578 R627 A630 I634Q571-D575 PolarHBondContact NE2-OD1 3.45Å; Q571-D575 PolarHBondContact O-N 3.01Å; D575-F577 VanDerWaalsContact C-N 3.35Å; D575-F577 PolarHBondContact O-N 3.44Å; D575-D578 PolarHBondContact O-N 2.91Å; D575-R627 PolarHBondContact OD1-N 3.42Å; D575-R627 IonicContact OD1-NE 3.37Å; D575-R627 IonicContact OD2-CZ 3.7Å; D575-R627 VanDerWaalsContact OD2-CZ 3.24Å; D575-R627 IonicContact OD2-NE 3.71Å; D575-R627 PolarHBondContact OD2-NE 3.44Å; D575-R627 IonicContact OD2-NH2 2.74Å; D575-R627 PolarHBondContact OD2-NH2 2.83Å; D575-A630 HydrophobicContact CB-CB 3.87Å; D575-A630 WeakPolarHBondContact OD2-CB 3.45Å; D575-I634 HydrophobicContact CB-CD1 3.73Å
576V90.8Very high89.2Confident0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-67.2-34.7-178.5164.90000112C538 L539 R542 T572 S574 I634C538-V576 HydrophobicContact CB-CB 3.91Å; C538-V576 HydrophobicContact CB-CG1 3.95Å; C538-V576 HydrophobicContact CB-CG2 3.74Å; L539-V576 HydrophobicContact CD2-CG1 3.88Å; L539-V576 HydrophobicContact CD2-CG2 4.43Å; L539-V576 HydrophobicContact CG-CG1 4.1Å; L539-V576 HydrophobicContact CG-CG2 4.25Å; R542-V576 HydrophobicContact CB-CG1 4.16Å; R542-V576 WeakPolarHBondContact CD-O 3.39Å; R542-V576 PolarHBondContact NH1-O 3.41Å; T572-V576 HydrophobicContact CG2-CG2 4.08Å; T572-V576 WeakPolarHBondContact O-CB 3.29Å; T572-V576 WeakPolarHBondContact O-CG2 3.33Å; T572-V576 PolarHBondContact O-N 2.93Å; S574-V576 PolarHBondContact O-N 3.24Å; V576-I634 HydrophobicContact CG2-CD1 4.12Å; V576-I634 HydrophobicContact CG2-CG2 4.03Å
577F89.4Confident87.8Confident9 Ų926.9 Ų26.94%0.03916%0.161CC..Hα-helixtrans-93.6-13.5179.8-83.3-99.7000113.9L412 K541 R542 I557 L573 S574 D575 L579L412-F577 HydrophobicContact CD2-CD1 3.68Å; L412-F577 HydrophobicContact CD2-CE1 3.24Å; L412-F577 HydrophobicContact CD2-CG 4.47Å; L412-F577 HydrophobicContact CD2-CZ 3.7Å; K541-F577 HydrophobicContact CB-CE2 4.24Å; K541-F577 HydrophobicContact CB-CZ 4.11Å; R542-F577 HydrophobicContact CB-CD1 4.25Å; R542-F577 HydrophobicContact CB-CD2 4.22Å; R542-F577 HydrophobicContact CB-CE1 3.8Å; R542-F577 HydrophobicContact CB-CE2 3.77Å; R542-F577 HydrophobicContact CB-CG 4.46Å; R542-F577 HydrophobicContact CB-CZ 3.57Å; R542-F577 HydrophobicContact CG-CD1 4.13Å; R542-F577 HydrophobicContact CG-CE1 4.01Å; R542-F577 HydrophobicContact CG-CZ 4.3Å; R542-F577 VanDerWaalsContact N-CZ 3.3Å; I557-F577 HydrophobicContact CD1-CB 3.58Å; I557-F577 HydrophobicContact CD1-CD1 4.18Å; I557-F577 HydrophobicContact CD1-CD2 3.85Å; I557-F577 HydrophobicContact CD1-CG 3.61Å; L573-F577 HydrophobicContact CD1-CD2 3.73Å; L573-F577 HydrophobicContact CD1-CE2 3.55Å; L573-F577 HydrophobicContact CG-CD2 4.38Å; L573-F577 WeakPolarHBondContact O-CB 3.39Å; L573-F577 WeakPolarHBondContact O-CD2 3.46Å; L573-F577 PolarHBondContact O-N 3.08Å; S574-F577 PolarHBondContact O-N 3.46Å; D575-F577 VanDerWaalsContact C-N 3.35Å; D575-F577 PolarHBondContact O-N 3.44Å; F577-L579 VanDerWaalsContact C-N 3.34Å; F577-L579 HydrophobicContact CB-CB 4.23Å; F577-L579 HydrophobicContact CB-CD1 4.06Å; F577-L579 HydrophobicContact CB-CG 4.14Å; F577-L579 HydrophobicContact CD1-CD1 4.39Å
578D92.9Very high86.6Confident70 Ų7027.6 Ų27.637%0.37415%0.151SC..THydrogen-bonded Turntrans54.649.1-167.8-17131.9000111.7S574 D575 V631S574-D578 WeakPolarHBondContact O-CA 3.2Å; S574-D578 PolarHBondContact O-N 3.4Å; D575-D578 PolarHBondContact O-N 2.91Å; D578-V631 HydrophobicContact CB-CG1 4.12Å; D578-V631 HydrophobicContact CB-CG2 4.33Å
579L93Very high85.7Confident18 Ų1828.5 Ų28.59%0.09416%0.158CC..SBendtrans-141.1143.9-176.7-66176.3000111.6M554 I557 S574 F577M554-L579 HydrophobicContact CB-CD1 3.6Å; M554-L579 WeakPolarHBondContact O-CD2 2.93Å; I557-L579 HydrophobicContact CD1-CB 4.19Å; I557-L579 HydrophobicContact CD1-CD1 4.33Å; I557-L579 HydrophobicContact CG1-CB 3.91Å; I557-L579 HydrophobicContact CG1-CD1 3.89Å; S574-L579 WeakPolarHBondContact CA-O 3.39Å; S574-L579 WeakPolarHBondContact CB-O 3.28Å; S574-L579 PolarHBondContact O-N 2.89Å; S574-L579 PolarHBondContact OG-O 3.06Å; F577-L579 VanDerWaalsContact C-N 3.34Å; F577-L579 HydrophobicContact CB-CB 4.23Å; F577-L579 HydrophobicContact CB-CD1 4.06Å; F577-L579 HydrophobicContact CB-CG 4.14Å; F577-L579 HydrophobicContact CD1-CD1 4.39Å
580P95Very high85.2Confident31 Ų3128.3 Ų28.320%0.20116%0.158CC..  trans-65141.1170.728.4-34.1000110.7E555 R556 I557 Y582 L622E555-P580 WeakPolarHBondContact O-CD 3.34Å; R556-P580 WeakPolarHBondContact CA-O 3.41Å; R556-P580 HydrophobicContact CB-CG 3.94Å; I557-P580 PolarHBondContact N-O 3.44Å; P580-Y582 HydrophobicContact CB-CE2 3.86Å; P580-Y582 HydrophobicContact CG-CE2 3.99Å; P580-L622 HydrophobicContact CB-CD1 3.87Å
581V94.6Very high84.8Confident0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-111126.1-178.8-175.60000109.8I557 V559 L570 V623 A624I557-V581 HydrophobicContact CB-CG1 4.46Å; I557-V581 HydrophobicContact CB-CG2 4.14Å; I557-V581 HydrophobicContact CD1-CG2 4.3Å; I557-V581 CarbonylContact O-C 3.58Å; I557-V581 WeakPolarHBondContact O-CA 3.36Å; V559-V581 HydrophobicContact CB-CG1 4.31Å; V559-V581 HydrophobicContact CG1-CG1 3.58Å; V559-V581 HydrophobicContact CG2-CG1 3.76Å; L570-V581 HydrophobicContact CD2-CG1 4.14Å; V581-V623 HydrophobicContact CB-CG2 4.26Å; V581-V623 HydrophobicContact CG1-CG2 3.92Å; V581-V623 WeakPolarHBondContact O-CG2 3.46Å; V581-V623 PolarHBondContact O-N 3.3Å; V581-A624 HydrophobicContact CB-CB 4.17Å; V581-A624 HydrophobicContact CG2-CB 4.4Å; V581-A624 PolarHBondContact N-O 2.91Å; V581-A624 PolarHBondContact O-N 3.03Å
582Y91.2Very high84.3Confident48 Ų4827 Ų2719%0.18815%0.153CC..EExtended strand (participates in β ladder)trans-115.6132.5177.7-60.4-98.3000110.5R556 I557 L558 V559 P580 P619 K621 L622R556-Y582 HydrophobicContact CB-CD2 3.94Å; R556-Y582 HydrophobicContact CB-CE2 3.73Å; R556-Y582 HydrophobicContact CG-CD2 4.4Å; R556-Y582 HydrophobicContact CG-CE2 4.34Å; I557-Y582 PolarHBondContact O-N 3.34Å; L558-Y582 CarbonylContact C-O 3.33Å; L558-Y582 WeakPolarHBondContact CA-O 3.2Å; L558-Y582 HydrophobicContact CD2-CD2 4.34Å; L558-Y582 HydrophobicContact CD2-CG 4.42Å; V559-Y582 WeakPolarHBondContact CG2-O 3.36Å; V559-Y582 PolarHBondContact N-O 3.2Å; P580-Y582 HydrophobicContact CB-CE2 3.86Å; P580-Y582 HydrophobicContact CG-CE2 3.99Å; Y582-P619 VanDerWaalsContact CB-O 3.31Å; Y582-P619 WeakPolarHBondContact CB-O 3.47Å; Y582-P619 HydrophobicContact CD1-CB 3.64Å; Y582-P619 HydrophobicContact CD1-CG 3.35Å; Y582-P619 HydrophobicContact CD2-CB 3.92Å; Y582-P619 HydrophobicContact CD2-CG 4.29Å; Y582-P619 HydrophobicContact CE1-CB 4.07Å; Y582-P619 HydrophobicContact CE1-CG 3.38Å; Y582-P619 HydrophobicContact CE2-CB 4.31Å; Y582-P619 HydrophobicContact CE2-CG 4.3Å; Y582-P619 HydrophobicContact CG-CB 3.56Å; Y582-P619 HydrophobicContact CG-CG 3.84Å; Y582-K621 CarbonylContact C-O 3.46Å; Y582-K621 VanDerWaalsContact CA-O 3.24Å; Y582-K621 WeakPolarHBondContact CA-O 3.29Å; Y582-L622 HydrophobicContact CD1-CB 3.87Å; Y582-L622 HydrophobicContact CD1-CD1 4.15Å; Y582-L622 HydrophobicContact CD2-CD1 4.46Å; Y582-L622 HydrophobicContact CE1-CB 3.7Å; Y582-L622 HydrophobicContact CE1-CD1 3.78Å; Y582-L622 HydrophobicContact CE1-CG 4.27Å; Y582-L622 HydrophobicContact CE2-CD1 4.12Å; Y582-L622 HydrophobicContact CG-CD1 4.47Å
583K86.3Confident83.8Confident29 Ų2927 Ų2713%0.12615%0.152CC..EExtended strand (participates in β ladder)trans-95.1131.1176.2-170.7-174.2-172.4-144.60110.1V559 S564 N565 D585 K621 V623V559-K583 HydrophobicContact CG2-CB 3.98Å; V559-K583 HydrophobicContact CG2-CG 4.24Å; S564-K583 WeakPolarHBondContact O-CE 3.47Å; S564-K583 VanDerWaalsContact OG-CE 3.25Å; S564-K583 WeakPolarHBondContact OG-CE 3.35Å; N565-K583 WeakPolarHBondContact OD1-CE 3.47Å; N565-K583 PolarHBondContact OD1-NZ 3.12Å; K583-D585 WeakPolarHBondContact CE-OD1 3.28Å; K583-D585 IonicContact NZ-OD1 2.68Å; K583-D585 PolarHBondContact NZ-OD1 3.26Å; K583-K621 PolarHBondContact N-O 2.84Å; K583-K621 PolarHBondContact O-N 3.49Å; K583-V623 HydrophobicContact CB-CB 4.37Å; K583-V623 HydrophobicContact CB-CG1 3.56Å; K583-V623 HydrophobicContact CB-CG2 3.89Å; K583-V623 HydrophobicContact CD-CG1 4.4Å
584K75.6Confident83.6Confident8 Ų826.9 Ų26.94%0.03515%0.152CC..  trans-105.9111.9164.4-66-161.6176.1-166.50109.4I388 V559 T560 V586 E616 P619I388-K584 HydrophobicContact CG2-CD 4.31Å; I388-K584 WeakPolarHBondContact O-CD 3.3Å; I388-K584 WeakPolarHBondContact O-CE 3.24Å; I388-K584 PolarHBondContact O-NZ 2.76Å; V559-K584 PolarHBondContact O-N 3.16Å; T560-K584 PolarHBondContact OG1-O 2.83Å; K584-V586 VanDerWaalsContact C-N 3.25Å; K584-V586 HydrophobicContact CB-CG2 3.78Å; K584-V586 PolarHBondContact O-N 3.34Å; K584-E616 WeakPolarHBondContact CE-OE2 3.22Å; K584-E616 IonicContact NZ-OE2 2.78Å; K584-E616 PolarHBondContact NZ-OE2 3.49Å; K584-P619 VanDerWaalsContact CE-O 3.3Å; K584-P619 WeakPolarHBondContact CE-O 3.47Å; K584-P619 WeakPolarHBondContact CG-O 3.38Å
585D65.4Low83.3Confident122 Ų12226.9 Ų26.965%0.65215%0.152SC*.  trans-72.986170.6-71.7-38.8000108.1K583K583-D585 WeakPolarHBondContact CE-OD1 3.28Å; K583-D585 IonicContact NZ-OD1 2.68Å; K583-D585 PolarHBondContact NZ-OD1 3.26Å
586V61.5Low83Confident33 Ų3327 Ų2720%0.215%0.152CC..  trans-118.194.4173.8-153.70000111N387 K584 L592N387-V586 WeakPolarHBondContact ND2-CB 3.1Å; N387-V586 WeakPolarHBondContact ND2-CG1 3.4Å; N387-V586 WeakPolarHBondContact ND2-CG2 3.41Å; N387-V586 WeakPolarHBondContact OD1-CG1 3.29Å; K584-V586 VanDerWaalsContact C-N 3.25Å; K584-V586 HydrophobicContact CB-CG2 3.78Å; K584-V586 PolarHBondContact O-N 3.34Å; V586-L592 HydrophobicContact CG1-CD2 4Å
587A61Low82.8Confident70 Ų7027 Ų2758%0.57915%0.152SC*.THydrogen-bonded Turntrans-61.5143.2161.500000108.9S589A587-S589 VanDerWaalsContact C-N 3.31Å; A587-S589 PolarHBondContact O-N 3.32Å
588H69.8Low82.8Confident64 Ų6426.5 Ų26.530%0.29615%0.151SC..THydrogen-bonded Turntrans6131.5174.9-39.7-77.1000115.2K19 V21 A590 A591 L592K19-H588 WeakPolarHBondContact CD-ND1 3.43Å; V21-H588 HydrophobicContact CG2-CB 3.82Å; H588-A590 VanDerWaalsContact C-N 3.31Å; H588-A590 PolarHBondContact O-N 2.99Å; H588-A590 VanDerWaalsContact O-N 3.14Å; H588-A591 HydrophobicContact CB-CB 4.41Å; H588-A591 PolarHBondContact O-N 3.03Å; H588-L592 PolarHBondContact O-N 2.85Å
589S73.1Confident82.6Confident32 Ų3223.7 Ų23.722%0.22414%0.135CC..Hα-helixtrans-48.2-44.5-174.158.60000114.9N387 A587 G593N387-S589 WeakPolarHBondContact CB-O 3.37Å; N387-S589 WeakPolarHBondContact ND2-CA 3.21Å; N387-S589 VanDerWaalsContact ND2-CB 3.35Å; N387-S589 WeakPolarHBondContact ND2-CB 3.07Å; A587-S589 VanDerWaalsContact C-N 3.31Å; A587-S589 PolarHBondContact O-N 3.32Å; S589-G593 PolarHBondContact O-N 2.74Å
590A81.6Confident82.2Confident7 Ų722.9 Ų22.96%0.05813%0.131CC..Hα-helixtrans-66.6-41.3179.500000112.8D12 A91 D380 C383 H588 G593 G594D12-A590 HydrophobicContact CB-CB 4.07Å; A91-A590 HydrophobicContact CB-CB 3.78Å; D380-A590 HydrophobicContact CB-CB 4.3Å; C383-A590 PolarHBondContact SG-O 2.83Å; H588-A590 VanDerWaalsContact C-N 3.31Å; H588-A590 PolarHBondContact O-N 2.99Å; H588-A590 VanDerWaalsContact O-N 3.14Å; A590-G593 PolarHBondContact O-N 3.05Å; A590-G594 PolarHBondContact O-N 2.95Å; A590-G594 VanDerWaalsContact O-N 3.11Å
591A87Confident81.7Confident0 Ų021.4 Ų21.40%012%0.121CC..Hα-helixtrans-68.2-46.4177.500000111G10 D12 K19 V21 H588 G593 G594 A595G10-A591 CarbonylContact C-O 3.45Å; G10-A591 WeakPolarHBondContact CA-O 3.33Å; D12-A591 HydrophobicContact CB-CB 3.77Å; K19-A591 HydrophobicContact CB-CB 4.5Å; V21-A591 HydrophobicContact CB-CB 4.17Å; V21-A591 HydrophobicContact CG2-CB 3.61Å; H588-A591 HydrophobicContact CB-CB 4.41Å; H588-A591 PolarHBondContact O-N 3.03Å; A591-G593 VanDerWaalsContact C-N 3.29Å; A591-G593 PolarHBondContact O-N 3.15Å; A591-G594 WeakPolarHBondContact O-CA 3.04Å; A591-G594 PolarHBondContact O-N 2.58Å; A591-A595 PolarHBondContact O-N 3.44Å
592L86Confident81.3Confident22 Ų2222.3 Ų22.312%0.11513%0.126CC..Hα-helixtrans-61.6-38.7175.7-177.352.2000111.6V21 T23 V29 N387 V586 H588 G594 A595 V596V21-L592 HydrophobicContact CG1-CD1 4.35Å; T23-L592 HydrophobicContact CG2-CD1 3.55Å; V29-L592 HydrophobicContact CG2-CD1 4.12Å; V29-L592 HydrophobicContact CG2-CD2 4.2Å; N387-L592 WeakPolarHBondContact OD1-CD2 3.21Å; N387-L592 VanDerWaalsContact OD1-CG 3.23Å; N387-L592 WeakPolarHBondContact OD1-CG 3.46Å; V586-L592 HydrophobicContact CG1-CD2 4Å; H588-L592 PolarHBondContact O-N 2.85Å; L592-G594 PolarHBondContact O-N 2.88Å; L592-A595 PolarHBondContact O-N 3.42Å; L592-A595 VanDerWaalsContact O-N 3.11Å; L592-V596 VanDerWaalsContact O-CG2 3.24Å; L592-V596 WeakPolarHBondContact O-CG2 3.26Å; L592-V596 PolarHBondContact O-N 3.03Å
593G83.3Confident80.9Confident0 Ų021.9 Ų21.90%013%0.126CC..Hα-helixtrans-55.1-38.2169.700000112.4L386 S589 A590 A591 V596 R597L386-G593 VanDerWaalsContact CD2-O 3.3Å; L386-G593 WeakPolarHBondContact CD2-O 3.27Å; S589-G593 PolarHBondContact O-N 2.74Å; A590-G593 PolarHBondContact O-N 3.05Å; A591-G593 VanDerWaalsContact C-N 3.29Å; A591-G593 PolarHBondContact O-N 3.15Å; G593-V596 WeakPolarHBondContact O-CB 3.36Å; G593-V596 PolarHBondContact O-N 3.49Å; G593-R597 WeakPolarHBondContact O-CG 3.32Å; G593-R597 PolarHBondContact O-N 3.11Å
594G88.6Confident80.6Confident0 Ų021 Ų210%012%0.123CC..Hα-helixtrans-60-47.7173.900000112.6S89 C383 A590 A591 L592 V596 R597 A598S89-G594 VanDerWaalsContact CB-O 3.29Å; S89-G594 WeakPolarHBondContact CB-O 2.92Å; C383-G594 PolarHBondContact SG-N 2.93Å; A590-G594 PolarHBondContact O-N 2.95Å; A590-G594 VanDerWaalsContact O-N 3.11Å; A591-G594 WeakPolarHBondContact O-CA 3.04Å; A591-G594 PolarHBondContact O-N 2.58Å; L592-G594 PolarHBondContact O-N 2.88Å; G594-V596 VanDerWaalsContact C-N 3.31Å; G594-V596 PolarHBondContact O-N 3.46Å; G594-R597 PolarHBondContact O-N 3.11Å; G594-A598 WeakPolarHBondContact O-CB 3.4Å; G594-A598 PolarHBondContact O-N 2.84Å
595A89.4Confident80.9Confident0 Ų024.9 Ų24.90%014%0.144CC..Hα-helixtrans-63.5-38.317800000112T23 A591 L592 A598 K599T23-A595 HydrophobicContact CG2-CB 3.89Å; A591-A595 PolarHBondContact O-N 3.44Å; L592-A595 PolarHBondContact O-N 3.42Å; L592-A595 VanDerWaalsContact O-N 3.11Å; A595-A598 WeakPolarHBondContact O-CB 3.08Å; A595-A598 PolarHBondContact O-N 2.77Å; A595-K599 PolarHBondContact O-N 2.94Å
596V86.6Confident81.6Confident3 Ų326.9 Ų26.92%0.01815%0.149CC..Hα-helixtrans-61.5-46.9174.1175.40000111.2L27 L386 V390 F393 L592 G593 G594 A598 K599 H600 L613L27-V596 HydrophobicContact CD1-CB 4.39Å; L27-V596 HydrophobicContact CD1-CG1 4.48Å; L27-V596 HydrophobicContact CD1-CG2 3.85Å; L386-V596 HydrophobicContact CD1-CG1 3.86Å; L386-V596 HydrophobicContact CD2-CB 3.96Å; L386-V596 HydrophobicContact CD2-CG1 3.77Å; L386-V596 HydrophobicContact CG-CB 4.29Å; L386-V596 HydrophobicContact CG-CG1 3.87Å; V390-V596 HydrophobicContact CB-CG1 3.89Å; V390-V596 HydrophobicContact CB-CG2 4.41Å; V390-V596 HydrophobicContact CG1-CG1 3.79Å; V390-V596 HydrophobicContact CG1-CG2 4.33Å; V390-V596 HydrophobicContact CG2-CG1 3.62Å; F393-V596 HydrophobicContact CE2-CG1 4.43Å; L592-V596 VanDerWaalsContact O-CG2 3.24Å; L592-V596 WeakPolarHBondContact O-CG2 3.26Å; L592-V596 PolarHBondContact O-N 3.03Å; G593-V596 WeakPolarHBondContact O-CB 3.36Å; G593-V596 PolarHBondContact O-N 3.49Å; G594-V596 VanDerWaalsContact C-N 3.31Å; G594-V596 PolarHBondContact O-N 3.46Å; V596-A598 VanDerWaalsContact C-N 3.31Å; V596-A598 PolarHBondContact O-N 3.37Å; V596-K599 PolarHBondContact O-N 2.76Å; V596-H600 VanDerWaalsContact O-CB 3.29Å; V596-H600 WeakPolarHBondContact O-CB 3.45Å; V596-H600 PolarHBondContact O-N 2.98Å; V596-L613 HydrophobicContact CG1-CD1 4.45Å; V596-L613 HydrophobicContact CG1-CD2 4.08Å
597R86.9Confident82.4Confident0 Ų027.4 Ų27.40%015%0.154CC..Hα-helixtrans-62-40176.3-67.5176.462.8-105-15.9111.7S89 G90 F351 V376 L386 G593 G594 H600 A601S89-R597 PolarHBondContact OG-NH1 3.27Å; G90-R597 PolarHBondContact O-NH1 2.99Å; F351-R597 PolarHBondContact O-NH2 3.28Å; V376-R597 PolarHBondContact O-NH1 2.86Å; V376-R597 PolarHBondContact O-NH2 2.96Å; L386-R597 HydrophobicContact CD2-CB 4.31Å; L386-R597 HydrophobicContact CD2-CG 3.1Å; G593-R597 WeakPolarHBondContact O-CG 3.32Å; G593-R597 PolarHBondContact O-N 3.11Å; G594-R597 PolarHBondContact O-N 3.11Å; R597-H600 PolarHBondContact O-N 3.37Å; R597-A601 WeakPolarHBondContact O-CB 3.43Å; R597-A601 PolarHBondContact O-N 2.6Å
598A89.9Confident83.2Confident0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-58.4-49.6177.200000111.1Y8 A87 G594 A595 V596 L602Y8-A598 HydrophobicContact CD1-CB 4.35Å; A87-A598 HydrophobicContact CB-CB 3.85Å; G594-A598 WeakPolarHBondContact O-CB 3.4Å; G594-A598 PolarHBondContact O-N 2.84Å; A595-A598 WeakPolarHBondContact O-CB 3.08Å; A595-A598 PolarHBondContact O-N 2.77Å; V596-A598 VanDerWaalsContact C-N 3.31Å; V596-A598 PolarHBondContact O-N 3.37Å; A598-L602 PolarHBondContact O-N 2.83Å
599K88.4Confident83.2Confident10 Ų1031.4 Ų31.44%0.04317%0.172CC..Hα-helixtrans-64-45.4175.9-179.6168.1-178.2171.90112.6Y8 N25 L27 F393 A595 V596 A601 L602 I603Y8-K599 HydrophobicContact CD1-CB 3.63Å; Y8-K599 HydrophobicContact CD1-CG 4.39Å; Y8-K599 HydrophobicContact CD2-CB 4.12Å; Y8-K599 HydrophobicContact CD2-CD 4.17Å; Y8-K599 HydrophobicContact CD2-CG 4.42Å; Y8-K599 HydrophobicContact CE1-CB 3.56Å; Y8-K599 HydrophobicContact CE1-CG 3.87Å; Y8-K599 HydrophobicContact CE2-CB 4.08Å; Y8-K599 HydrophobicContact CE2-CD 3.68Å; Y8-K599 HydrophobicContact CE2-CG 3.92Å; Y8-K599 HydrophobicContact CG-CB 3.91Å; N25-K599 PolarHBondContact O-NZ 2.64Å; N25-K599 PolarHBondContact OD1-NZ 2.64Å; L27-K599 HydrophobicContact CD1-CD 4.28Å; L27-K599 HydrophobicContact CD2-CB 4.12Å; L27-K599 HydrophobicContact CD2-CD 3.87Å; L27-K599 HydrophobicContact CG-CD 3.97Å; F393-K599 HydrophobicContact CB-CD 4.17Å; F393-K599 VanDerWaalsContact CB-CE 3.49Å; F393-K599 VanDerWaalsContact CB-NZ 3.25Å; F393-K599 HydrophobicContact CD2-CD 3.79Å; F393-K599 HydrophobicContact CD2-CG 4.26Å; F393-K599 HydrophobicContact CE2-CB 4.5Å; F393-K599 HydrophobicContact CE2-CD 4.2Å; F393-K599 HydrophobicContact CE2-CG 4.18Å; F393-K599 HydrophobicContact CG-CD 3.98Å; F393-K599 HydrophobicContact CZ-CG 4.39Å; A595-K599 PolarHBondContact O-N 2.94Å; V596-K599 PolarHBondContact O-N 2.76Å; K599-A601 VanDerWaalsContact C-N 3.34Å; K599-A601 PolarHBondContact O-N 3.22Å; K599-L602 PolarHBondContact O-N 3.06Å; K599-I603 HydrophobicContact CD-CD1 4.5Å; K599-I603 HydrophobicContact CG-CD1 3.9Å; K599-I603 PolarHBondContact O-N 3.39Å
600H84.1Confident83Confident1 Ų133.7 Ų33.71%0.00518%0.178CC..Hα-helixtrans-60.1-44-178.3-175.6-146.2000112.4F351 F393 V596 R597 L602 I603 M604 L611 L613F351-H600 AromaticContact CE2-ND1 3.61Å; F351-H600 AromaticContact CZ-CE1 3.64Å; F351-H600 AromaticContact CZ-ND1 3.51Å; F393-H600 HydrophobicContact CZ-CB 3.89Å; V596-H600 VanDerWaalsContact O-CB 3.29Å; V596-H600 WeakPolarHBondContact O-CB 3.45Å; V596-H600 PolarHBondContact O-N 2.98Å; R597-H600 PolarHBondContact O-N 3.37Å; H600-L602 VanDerWaalsContact C-N 3.34Å; H600-L602 PolarHBondContact O-N 3.37Å; H600-I603 PolarHBondContact O-N 2.98Å; H600-M604 VanDerWaalsContact CE1-SD 3.6Å; H600-M604 PolarHBondContact O-N 3.17Å; H600-L611 PolarHBondContact CE1-O 2.74Å; H600-L611 PolarHBondContact NE2-O 3.23Å; H600-L613 HydrophobicContact CB-CD1 4.48Å; H600-L613 HydrophobicContact CB-CD2 4.02Å; H600-L613 HydrophobicContact CB-CG 4.3Å
601A84.5Confident82.4Confident0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-60.2-42.6177.900000112.5Q355 V375 R597 K599 I603 M604 L605Q355-A601 HydrophobicContact CG-CB 4.31Å; Q355-A601 PolarHBondContact NE2-O 2.77Å; Q355-A601 VanDerWaalsContact NE2-O 3.16Å; Q355-A601 PolarHBondContact OE1-O 3.43Å; Q355-A601 VanDerWaalsContact OE1-O 3.08Å; V375-A601 HydrophobicContact CB-CB 4.24Å; V375-A601 HydrophobicContact CG1-CB 3.69Å; V375-A601 HydrophobicContact CG2-CB 3.47Å; V375-A601 VanDerWaalsContact CG2-CB 3.47Å; R597-A601 WeakPolarHBondContact O-CB 3.43Å; R597-A601 PolarHBondContact O-N 2.6Å; K599-A601 VanDerWaalsContact C-N 3.34Å; K599-A601 PolarHBondContact O-N 3.22Å; A601-I603 VanDerWaalsContact C-N 3.33Å; A601-I603 PolarHBondContact O-N 2.74Å; A601-M604 HydrophobicContact CB-CE 4.47Å; A601-M604 PolarHBondContact O-N 3.36Å; A601-L605 PolarHBondContact O-N 2.94Å
602L86.6Confident81.2Confident19 Ų1940.6 Ų40.610%0.09922%0.219CC..Hα-helixtrans-61.3-41.3175.8-67.9-166.8000112.2Y8 L86 A87 R373 A598 K599 H600 M604 L605 E606Y8-L602 HydrophobicContact CE1-CD1 3.83Å; L86-L602 HydrophobicContact CB-CD1 3.71Å; A87-L602 HydrophobicContact CB-CD1 3.77Å; A87-L602 HydrophobicContact CB-CD2 4.09Å; A87-L602 HydrophobicContact CB-CG 3.77Å; R373-L602 HydrophobicContact CB-CD2 3.82Å; R373-L602 HydrophobicContact CG-CD2 3.56Å; A598-L602 PolarHBondContact O-N 2.83Å; K599-L602 PolarHBondContact O-N 3.06Å; H600-L602 VanDerWaalsContact C-N 3.34Å; H600-L602 PolarHBondContact O-N 3.37Å; L602-M604 VanDerWaalsContact C-N 3.34Å; L602-M604 PolarHBondContact O-N 2.84Å; L602-L605 WeakPolarHBondContact O-CB 3.19Å; L602-L605 PolarHBondContact O-N 2.65Å; L602-E606 WeakPolarHBondContact O-CG 3.03Å; L602-E606 PolarHBondContact O-N 3.28Å
603I82.9Confident80.1Confident40 Ų4039.7 Ų39.721%0.20521%0.214CC..Hα-helixtrans-65.9-39178.8-71165.2000111.2F393 K599 H600 A601 L605 E606 S607 L611F393-I603 HydrophobicContact CD1-CD1 3.26Å; F393-I603 HydrophobicContact CE1-CD1 3.14Å; F393-I603 HydrophobicContact CE1-CG1 4.45Å; F393-I603 HydrophobicContact CG-CD1 4.16Å; F393-I603 HydrophobicContact CZ-CD1 3.93Å; K599-I603 HydrophobicContact CD-CD1 4.5Å; K599-I603 HydrophobicContact CG-CD1 3.9Å; K599-I603 PolarHBondContact O-N 3.39Å; H600-I603 PolarHBondContact O-N 2.98Å; A601-I603 VanDerWaalsContact C-N 3.33Å; A601-I603 PolarHBondContact O-N 2.74Å; I603-L605 VanDerWaalsContact C-N 3.32Å; I603-E606 PolarHBondContact O-N 3.49Å; I603-S607 WeakPolarHBondContact O-CB 3.38Å; I603-S607 PolarHBondContact O-N 3.07Å; I603-S607 PolarHBondContact O-OG 2.9Å; I603-L611 HydrophobicContact CG2-CD1 3.86Å
604M80.1Confident78.7Confident10 Ų1044.6 Ų44.65%0.04924%0.237CC..Hα-helixtrans-66.6-35.2173.4-70.7-176.3-66.400112.2F351 F352 H600 A601 L602 S607 D608 F610 L611F351-M604 HydrophobicContact CE2-CE 3.7Å; F351-M604 HydrophobicContact CZ-CE 3.51Å; F351-M604 HydrophobicContact CZ-SD 4.22Å; F352-M604 HydrophobicContact CB-CE 3.41Å; F352-M604 VanDerWaalsContact CB-CE 3.41Å; F352-M604 HydrophobicContact CB-SD 4.26Å; F352-M604 HydrophobicContact CG-CE 4.22Å; F352-M604 HydrophobicContact CG-SD 4.48Å; H600-M604 VanDerWaalsContact CE1-SD 3.6Å; H600-M604 PolarHBondContact O-N 3.17Å; A601-M604 HydrophobicContact CB-CE 4.47Å; A601-M604 PolarHBondContact O-N 3.36Å; L602-M604 VanDerWaalsContact C-N 3.34Å; L602-M604 PolarHBondContact O-N 2.84Å; M604-S607 WeakPolarHBondContact CA-OG 3.25Å; M604-S607 PolarHBondContact O-N 3.47Å; M604-S607 PolarHBondContact O-OG 3.47Å; M604-D608 PolarHBondContact O-N 2.96Å; M604-D608 VanDerWaalsContact O-N 3.1Å; M604-F610 HydrophobicContact SD-CD2 3.61Å; M604-F610 HydrophobicContact SD-CE2 4.03Å; M604-L611 HydrophobicContact CG-CB 4.48Å
605L81.3Confident77Confident90 Ų9046.3 Ų46.347%0.47125%0.245SC..Hα-helixtrans-66.2-39.6174.6-172.468.3000112Q355 A601 L602 I603Q355-L605 VanDerWaalsContact OE1-CB 3.28Å; A601-L605 PolarHBondContact O-N 2.94Å; L602-L605 WeakPolarHBondContact O-CB 3.19Å; L602-L605 PolarHBondContact O-N 2.65Å; I603-L605 VanDerWaalsContact C-N 3.32Å
606E81.5Confident75.2Confident164 Ų16449.3 Ų49.377%0.76626%0.259SS*.Hα-helixtrans-70.1-31.6177.4-73.8177.4-179.100113L602 I603L602-E606 WeakPolarHBondContact O-CG 3.03Å; L602-E606 PolarHBondContact O-N 3.28Å; I603-E606 PolarHBondContact O-N 3.49Å
607S78.5Confident73.2Confident44 Ų4453 Ų5331%0.30828%0.278SS..Hα-helixtrans-92.8-4.2-178.156.90000114.6I603 M604 S609 L611I603-S607 WeakPolarHBondContact O-CB 3.38Å; I603-S607 PolarHBondContact O-N 3.07Å; I603-S607 PolarHBondContact O-OG 2.9Å; M604-S607 WeakPolarHBondContact CA-OG 3.25Å; M604-S607 PolarHBondContact O-N 3.47Å; M604-S607 PolarHBondContact O-OG 3.47Å; S607-S609 PolarHBondContact O-N 3.47Å; S607-S609 PolarHBondContact O-OG 2.86Å; S607-S609 PolarHBondContact OG-O 3Å; S607-L611 VanDerWaalsContact CB-CD1 3.49Å; S607-L611 WeakPolarHBondContact OG-CD1 3.37Å; S607-L611 WeakPolarHBondContact OG-CG 3.18Å
608D77.7Confident72Confident159 Ų15955.3 Ų55.385%0.8529%0.294SS*.THydrogen-bonded Turntrans47.130.9-175-158.929.3000113.5M604M604-D608 PolarHBondContact O-N 2.96Å; M604-D608 VanDerWaalsContact O-N 3.1Å
609S69.5Low70.8Confident58 Ų5855.9 Ų55.941%0.40630%0.298SS..SBendtrans-155155.6-17655.40000111.1S607 L611S607-S609 PolarHBondContact O-N 3.47Å; S607-S609 PolarHBondContact O-OG 2.86Å; S607-S609 PolarHBondContact OG-O 3Å; S609-L611 PolarHBondContact O-N 3.4Å
610F69.2Low70.2Confident80 Ų8056.5 Ų56.535%0.35131%0.306SS..  trans-69.5115.4169.2177.2-102.4000108.9F351 I442 D443 M604 P612F351-F610 HydrophobicContact CE1-CE2 4.43Å; I442-F610 HydrophobicContact CG2-CZ 4.4Å; I442-F610 WeakPolarHBondContact O-CE2 3.49Å; I442-F610 VanDerWaalsContact O-CZ 3.32Å; I442-F610 WeakPolarHBondContact O-CZ 3.26Å; D443-F610 HydrophobicContact CB-CZ 4.28Å; M604-F610 HydrophobicContact SD-CD2 3.61Å; M604-F610 HydrophobicContact SD-CE2 4.03Å; F610-P612 HydrophobicContact CE1-CB 4.31Å
611L67.6Low70.4Confident67 Ų6763.5 Ų63.535%0.35134%0.337SS..  trans-106122.6170.5-67.2179.5000108H600 I603 M604 S607 S609H600-L611 PolarHBondContact CE1-O 2.74Å; H600-L611 PolarHBondContact NE2-O 3.23Å; I603-L611 HydrophobicContact CG2-CD1 3.86Å; M604-L611 HydrophobicContact CG-CB 4.48Å; S607-L611 VanDerWaalsContact CB-CD1 3.49Å; S607-L611 WeakPolarHBondContact OG-CD1 3.37Å; S607-L611 WeakPolarHBondContact OG-CG 3.18Å; S609-L611 PolarHBondContact O-N 3.4Å
612P63.2Low70.9Confident86 Ų8666.9 Ų66.956%0.55835%0.354SS*.PPolyproline II helixtrans-61.414717326.3-32.7000109.9F610 E614F610-P612 HydrophobicContact CE1-CB 4.31Å; P612-E614 PolarHBondContact O-N 3.17Å
613L62.6Low71.2Confident3 Ų368.2 Ų68.22%0.01636%0.364CS..PPolyproline II helixtrans-62.7130.8170.3-87.3157000110.1L386 V390 F393 I442 V596 H600 F615L386-L613 HydrophobicContact CD1-CD1 3.2Å; V390-L613 HydrophobicContact CG1-CD2 4.38Å; V390-L613 HydrophobicContact CG2-CB 4.31Å; V390-L613 HydrophobicContact CG2-CD1 4.02Å; V390-L613 HydrophobicContact CG2-CD2 3.91Å; V390-L613 HydrophobicContact CG2-CG 4.33Å; F393-L613 HydrophobicContact CD2-CD2 4.47Å; F393-L613 HydrophobicContact CE1-CD2 4.06Å; F393-L613 HydrophobicContact CE2-CD2 3.35Å; F393-L613 HydrophobicContact CZ-CD2 3.12Å; F393-L613 HydrophobicContact CZ-CG 4.37Å; I442-L613 HydrophobicContact CD1-CD1 3.8Å; I442-L613 HydrophobicContact CG1-CD1 3.99Å; I442-L613 HydrophobicContact CG2-CD1 3.86Å; V596-L613 HydrophobicContact CG1-CD1 4.45Å; V596-L613 HydrophobicContact CG1-CD2 4.08Å; H600-L613 HydrophobicContact CB-CD1 4.48Å; H600-L613 HydrophobicContact CB-CD2 4.02Å; H600-L613 HydrophobicContact CB-CG 4.3Å; L613-F615 HydrophobicContact CB-CD1 4.48Å; L613-F615 HydrophobicContact CB-CE1 4.15Å; L613-F615 WeakPolarHBondContact O-CD2 3.43Å; L613-F615 WeakPolarHBondContact O-CE2 3.32Å
614E54Low71.9Confident102 Ų10266.6 Ų66.648%0.47736%0.356SS..PPolyproline II helixtrans-72.1131.2167-66.1-171.2165.600109.3F395 P612F395-E614 WeakPolarHBondContact CE2-OE1 3.4Å; P612-E614 PolarHBondContact O-N 3.17Å
615F52.4Low72.7Confident37 Ų3772 Ų7216%0.16238%0.381CS..BIsolated β-bridgetrans-114.1143.1-160-69.4-61.4000114.3M389 L405 Q407 W425 L613M389-F615 HydrophobicContact CB-CD1 3.71Å; M389-F615 HydrophobicContact CB-CE1 3.8Å; M389-F615 HydrophobicContact CG-CE1 4.46Å; M389-F615 CarbonylContact O-C 3.47Å; M389-F615 WeakPolarHBondContact O-CA 3.4Å; M389-F615 WeakPolarHBondContact O-CD1 3.36Å; M389-F615 HydrophobicContact SD-CE1 4.1Å; L405-F615 VanDerWaalsContact O-O 3.09Å; Q407-F615 HydrophobicContact CB-CB 3.74Å; Q407-F615 HydrophobicContact CB-CD1 4.26Å; Q407-F615 HydrophobicContact CB-CG 3.96Å; Q407-F615 WeakPolarHBondContact O-CD2 3.49Å; W425-F615 HydrophobicContact CH2-CZ 4.49Å; W425-F615 HydrophobicContact CZ3-CZ 4.45Å; L613-F615 HydrophobicContact CB-CD1 4.48Å; L613-F615 HydrophobicContact CB-CE1 4.15Å; L613-F615 WeakPolarHBondContact O-CD2 3.43Å; L613-F615 WeakPolarHBondContact O-CE2 3.32Å
616E50.8Low73.4Confident63 Ų6369 Ų6929%0.29437%0.367SS..  trans-23.8-133.9-138.4-158.7-174.5141.700114.3M389 A391 K584M389-E616 PolarHBondContact O-N 3.38Å; A391-E616 HydrophobicContact CB-CB 3.74Å; A391-E616 HydrophobicContact CB-CG 3.28Å; A391-E616 WeakPolarHBondContact CB-O 3.32Å; K584-E616 WeakPolarHBondContact CE-OE2 3.22Å; K584-E616 IonicContact NZ-OE2 2.78Å; K584-E616 PolarHBondContact NZ-OE2 3.49Å
617L46.7Very low74Confident80 Ų8065.8 Ų65.842%0.41935%0.348SS..SBendtrans-133.6-64.3141.7-98.7-153.600097.8L405 N406L405-L617 CarbonylContact C-O 3.6Å; L405-L617 VanDerWaalsContact CA-O 3.31Å; L405-L617 WeakPolarHBondContact CA-O 3.42Å; L405-L617 HydrophobicContact CB-CB 3.02Å; L405-L617 HydrophobicContact CB-CD1 3.78Å; L405-L617 HydrophobicContact CB-CD2 3.55Å; L405-L617 HydrophobicContact CB-CG 3.47Å; L405-L617 VanDerWaalsContact CB-CG 3.47Å; L405-L617 VanDerWaalsContact CB-O 3.23Å; L405-L617 WeakPolarHBondContact CB-O 2.97Å; L405-L617 HydrophobicContact CD1-CB 3.43Å; L405-L617 VanDerWaalsContact CD1-CB 3.43Å; L405-L617 HydrophobicContact CD1-CD1 4.09Å; L405-L617 HydrophobicContact CD1-CG 4.32Å; L405-L617 WeakPolarHBondContact CD2-O 3.44Å; L405-L617 HydrophobicContact CG-CB 3.78Å; L405-L617 HydrophobicContact CG-CD1 4.41Å; L405-L617 HydrophobicContact CG-CG 4.46Å; L405-L617 VanDerWaalsContact O-CA 3.3Å; L405-L617 WeakPolarHBondContact O-CA 3.45Å; L405-L617 WeakPolarHBondContact O-CD2 3.32Å; N406-L617 PolarHBondContact N-O 3.31Å
618S60.7Low74.6Confident48 Ų4868.8 Ų68.834%0.33636%0.357SS..  trans-60.1134.7-177.3-172.90000110.5G620S618-G620 PolarHBondContact O-N 2.99Å; S618-G620 VanDerWaalsContact O-N 3.13Å; S618-G620 PolarHBondContact OG-N 3.12Å; S618-G620 VanDerWaalsContact OG-N 3.12Å; S618-G620 PolarHBondContact OG-O 3Å
619P65.4Low75.2Confident13 Ų1365.3 Ų65.38%0.08435%0.345CS..  trans-65.2-6.3165.828.1-33.8000112.5L558 Y582 K584L558-P619 HydrophobicContact CD2-CB 3.84Å; Y582-P619 VanDerWaalsContact CB-O 3.31Å; Y582-P619 WeakPolarHBondContact CB-O 3.47Å; Y582-P619 HydrophobicContact CD1-CB 3.64Å; Y582-P619 HydrophobicContact CD1-CG 3.35Å; Y582-P619 HydrophobicContact CD2-CB 3.92Å; Y582-P619 HydrophobicContact CD2-CG 4.29Å; Y582-P619 HydrophobicContact CE1-CB 4.07Å; Y582-P619 HydrophobicContact CE1-CG 3.38Å; Y582-P619 HydrophobicContact CE2-CB 4.31Å; Y582-P619 HydrophobicContact CE2-CG 4.3Å; Y582-P619 HydrophobicContact CG-CB 3.56Å; Y582-P619 HydrophobicContact CG-CG 3.84Å; K584-P619 VanDerWaalsContact CE-O 3.3Å; K584-P619 WeakPolarHBondContact CE-O 3.47Å; K584-P619 WeakPolarHBondContact CG-O 3.38Å
620G76Confident76.2Confident22 Ų2262.6 Ų62.623%0.22733%0.326CS..  trans101.5-161.3-170.100000110.6S618S618-G620 PolarHBondContact O-N 2.99Å; S618-G620 VanDerWaalsContact O-N 3.13Å; S618-G620 PolarHBondContact OG-N 3.12Å; S618-G620 VanDerWaalsContact OG-N 3.12Å; S618-G620 PolarHBondContact OG-O 3Å
621K87.8Confident77.1Confident149 Ų14959.3 Ų59.365%0.64831%0.313SS*.EExtended strand (participates in β ladder)trans-79.3125.6178.4-178.3177.9176.7-178.10109.2Y582 K583 V623Y582-K621 CarbonylContact C-O 3.46Å; Y582-K621 VanDerWaalsContact CA-O 3.24Å; Y582-K621 WeakPolarHBondContact CA-O 3.29Å; K583-K621 PolarHBondContact N-O 2.84Å; K583-K621 PolarHBondContact O-N 3.49Å; K621-V623 HydrophobicContact CB-CG1 4.49Å; K621-V623 HydrophobicContact CD-CG1 4.45Å; K621-V623 HydrophobicContact CG-CG1 4.23Å; K621-V623 PolarHBondContact O-N 3.29Å
622L93.5Very high77.9Confident70 Ų7063.7 Ų63.737%0.36633%0.332SS..EExtended strand (participates in β ladder)trans-62.5125.5167.7-179.164.5000108.6P580 Y582 E625P580-L622 HydrophobicContact CB-CD1 3.87Å; Y582-L622 HydrophobicContact CD1-CB 3.87Å; Y582-L622 HydrophobicContact CD1-CD1 4.15Å; Y582-L622 HydrophobicContact CD2-CD1 4.46Å; Y582-L622 HydrophobicContact CE1-CB 3.7Å; Y582-L622 HydrophobicContact CE1-CD1 3.78Å; Y582-L622 HydrophobicContact CE1-CG 4.27Å; Y582-L622 HydrophobicContact CE2-CD1 4.12Å; Y582-L622 HydrophobicContact CG-CD1 4.47Å; L622-E625 HydrophobicContact CD1-CG 4.1Å; L622-E625 HydrophobicContact CD2-CG 3.92Å; L622-E625 HydrophobicContact CG-CG 4.31Å
623V94.7Very high78.8Confident48 Ų4863.9 Ų63.929%0.29133%0.331SS..EExtended strand (participates in β ladder)trans-124.9-17.7-173.5-72.10000114V559 L570 V581 K583 K621V559-V623 HydrophobicContact CG2-CG2 4.43Å; L570-V623 HydrophobicContact CD1-CB 3.94Å; L570-V623 HydrophobicContact CD1-CG2 3.63Å; V581-V623 HydrophobicContact CB-CG2 4.26Å; V581-V623 HydrophobicContact CG1-CG2 3.92Å; V581-V623 WeakPolarHBondContact O-CG2 3.46Å; V581-V623 PolarHBondContact O-N 3.3Å; K583-V623 HydrophobicContact CB-CB 4.37Å; K583-V623 HydrophobicContact CB-CG1 3.56Å; K583-V623 HydrophobicContact CB-CG2 3.89Å; K583-V623 HydrophobicContact CD-CG1 4.4Å; K621-V623 HydrophobicContact CB-CG1 4.49Å; K621-V623 HydrophobicContact CD-CG1 4.45Å; K621-V623 HydrophobicContact CG-CG1 4.23Å; K621-V623 PolarHBondContact O-N 3.29Å
624A96.8Very high79.5Confident5 Ų563.9 Ų63.94%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-154.6147.4169.500000110.9L570 V581L570-A624 HydrophobicContact CB-CB 4.36Å; V581-A624 HydrophobicContact CB-CB 4.17Å; V581-A624 HydrophobicContact CG2-CB 4.4Å; V581-A624 PolarHBondContact N-O 2.91Å; V581-A624 PolarHBondContact O-N 3.03Å
625E97.2Very high79.9Confident124 Ų12461 Ų6158%0.57932%0.321SS*.  trans-123.5145.9170.9-70-172.498.400109.3Q571 S574 L622 R627Q571-E625 PolarHBondContact NE2-O 3.28Å; S574-E625 WeakPolarHBondContact OG-CA 3.21Å; L622-E625 HydrophobicContact CD1-CG 4.1Å; L622-E625 HydrophobicContact CD2-CG 3.92Å; L622-E625 HydrophobicContact CG-CG 4.31Å; E625-R627 PolarHBondContact O-N 3.35Å
626P95.2Very high80.1Confident28 Ų2862 Ų6218%0.18233%0.326CS..  trans-65.6125.7-174.125.4-33.3000110.7S574 Q628 V631S574-P626 WeakPolarHBondContact OG-CD 3.13Å; P626-Q628 PolarHBondContact O-N 2.9Å; P626-V631 HydrophobicContact CB-CG2 3.89Å
627R94.9Very high79.7Confident95 Ų9561.5 Ų61.536%0.35834%0.337SS..  trans-79112.7172.7-64.3174.6-60.4173.21.2108.1D575 E625 S629 A630 V631D575-R627 PolarHBondContact OD1-N 3.42Å; D575-R627 IonicContact OD1-NE 3.37Å; D575-R627 IonicContact OD2-CZ 3.7Å; D575-R627 VanDerWaalsContact OD2-CZ 3.24Å; D575-R627 IonicContact OD2-NE 3.71Å; D575-R627 PolarHBondContact OD2-NE 3.44Å; D575-R627 IonicContact OD2-NH2 2.74Å; D575-R627 PolarHBondContact OD2-NH2 2.83Å; E625-R627 PolarHBondContact O-N 3.35Å; R627-S629 PolarHBondContact O-N 2.83Å; R627-S629 VanDerWaalsContact O-N 3.16Å; R627-A630 HydrophobicContact CB-CB 4.01Å; R627-A630 WeakPolarHBondContact O-CA 3.42Å; R627-A630 WeakPolarHBondContact O-CB 3.45Å; R627-A630 PolarHBondContact O-N 3.31Å; R627-V631 WeakPolarHBondContact O-CG2 3.48Å; R627-V631 PolarHBondContact O-N 2.99Å
628Q91.3Very high79.6Confident107 Ų10760.7 Ų60.750%0.534%0.336SS..Hα-helixtrans-55.8-38.1-176.5-64.5-57.4-56.400112.7P626 A630 V631 E632P626-Q628 PolarHBondContact O-N 2.9Å; Q628-A630 VanDerWaalsContact C-N 3.26Å; Q628-A630 PolarHBondContact O-N 3.39Å; Q628-V631 PolarHBondContact O-N 3.33Å; Q628-E632 WeakPolarHBondContact O-CG 3.46Å; Q628-E632 PolarHBondContact O-N 3.4Å
629S90.9Very high78.8Confident87 Ų8759.8 Ų59.861%0.60833%0.327SS*.Hα-helixtrans-62.4-28.1173.956.20000114.3R627 V633R627-S629 PolarHBondContact O-N 2.83Å; R627-S629 VanDerWaalsContact O-N 3.16Å; S629-V633 VanDerWaalsContact O-CG2 3.28Å; S629-V633 WeakPolarHBondContact O-CG2 3.15Å
630A89.7Confident77.1Confident0 Ų066.5 Ų66.50%036%0.359CS..Hα-helixtrans-83.6-40174.400000111.6P483 D575 R627 Q628 E632 V633 I634P483-A630 HydrophobicContact CB-CB 3.66Å; P483-A630 HydrophobicContact CG-CB 4.11Å; D575-A630 HydrophobicContact CB-CB 3.87Å; D575-A630 WeakPolarHBondContact OD2-CB 3.45Å; R627-A630 HydrophobicContact CB-CB 4.01Å; R627-A630 WeakPolarHBondContact O-CA 3.42Å; R627-A630 WeakPolarHBondContact O-CB 3.45Å; R627-A630 PolarHBondContact O-N 3.31Å; Q628-A630 VanDerWaalsContact C-N 3.26Å; Q628-A630 PolarHBondContact O-N 3.39Å; A630-E632 VanDerWaalsContact C-N 3.28Å; A630-E632 PolarHBondContact O-N 3.36Å; A630-V633 PolarHBondContact O-N 3.03Å; A630-I634 HydrophobicContact CB-CD1 4.23Å; A630-I634 WeakPolarHBondContact O-CB 3.5Å; A630-I634 WeakPolarHBondContact O-CG1 3.34Å; A630-I634 PolarHBondContact O-N 2.97Å
631V87.4Confident75Confident11 Ų1172 Ų727%0.06738%0.382CS..Hα-helixtrans-56.6-42.6176173.90000110.8D578 P626 R627 Q628 V633 H636D578-V631 HydrophobicContact CB-CG1 4.12Å; D578-V631 HydrophobicContact CB-CG2 4.33Å; P626-V631 HydrophobicContact CB-CG2 3.89Å; R627-V631 WeakPolarHBondContact O-CG2 3.48Å; R627-V631 PolarHBondContact O-N 2.99Å; Q628-V631 PolarHBondContact O-N 3.33Å; V631-V633 PolarHBondContact O-N 3.13Å; V631-H636 WeakPolarHBondContact CG1-NE2 2.99Å; V631-H636 PolarHBondContact O-CD2 3.39Å; V631-H636 PolarHBondContact O-NE2 3.24Å; V631-H636 VanDerWaalsContact O-NE2 3.12Å
632E85Confident72.5Confident160 Ų16070.5 Ų70.575%0.74838%0.377SS*.Hα-helixtrans-67-32.6179.5-72.2172.6-175.900113.8Q628 A630Q628-E632 WeakPolarHBondContact O-CG 3.46Å; Q628-E632 PolarHBondContact O-N 3.4Å; A630-E632 VanDerWaalsContact C-N 3.28Å; A630-E632 PolarHBondContact O-N 3.36Å
633V82.2Confident69.5Low90 Ų9073 Ų7355%0.54541%0.408SS..Hα-helixtrans-94.1-33.3-173.9-178.20000112.1S629 A630 V631 P635S629-V633 VanDerWaalsContact O-CG2 3.28Å; S629-V633 WeakPolarHBondContact O-CG2 3.15Å; A630-V633 PolarHBondContact O-N 3.03Å; V631-V633 PolarHBondContact O-N 3.13Å; V633-P635 WeakPolarHBondContact O-CD 3.26Å
634I77.1Confident68.2Low2 Ų274.3 Ų74.31%0.0141%0.414CS..SBendtrans-67.5119.9177.4-69.1167.8000107.7L539 D575 V576 A630 H636L539-I634 HydrophobicContact CD2-CG2 3.96Å; D575-I634 HydrophobicContact CB-CD1 3.73Å; V576-I634 HydrophobicContact CG2-CD1 4.12Å; V576-I634 HydrophobicContact CG2-CG2 4.03Å; A630-I634 HydrophobicContact CB-CD1 4.23Å; A630-I634 WeakPolarHBondContact O-CB 3.5Å; A630-I634 WeakPolarHBondContact O-CG1 3.34Å; A630-I634 PolarHBondContact O-N 2.97Å; I634-H636 PolarHBondContact O-N 3.18Å
635P62.1Low66.7Low41 Ų4177.9 Ų77.927%0.26643%0.434SS..  trans-67.191.4-168.924.6-33.5000111.7M489 V633 G637 V638M489-P635 HydrophobicContact SD-CG 4.07Å; V633-P635 WeakPolarHBondContact O-CD 3.26Å; P635-G637 PolarHBondContact O-N 3.12Å; P635-V638 HydrophobicContact CB-CB 4.2Å; P635-V638 HydrophobicContact CB-CG2 3.65Å; P635-V638 HydrophobicContact CG-CG2 4.2Å
636H56.4Low65Low60 Ų6075.4 Ų75.428%0.27843%0.426SS..G310 helixtrans-63-26.3170.4-66.7-28.1000111.5R542 V631 I634R542-H636 PolarHBondContact NH1-CE1 2.62Å; R542-H636 PolarHBondContact NH1-ND1 2.95Å; V631-H636 WeakPolarHBondContact CG1-NE2 2.99Å; V631-H636 PolarHBondContact O-CD2 3.39Å; V631-H636 PolarHBondContact O-NE2 3.24Å; V631-H636 VanDerWaalsContact O-NE2 3.12Å; I634-H636 PolarHBondContact O-N 3.18Å
637G42.6Very low63.3Low51 Ų5178.2 Ų78.253%0.52644%0.44SS..G310 helixtrans-79.4-20.3-17800000116.3P635 I639 M640P635-G637 PolarHBondContact O-N 3.12Å; G637-I639 PolarHBondContact O-N 2.75Å; G637-M640 WeakPolarHBondContact O-CB 3.3Å; G637-M640 PolarHBondContact O-N 3.43Å
638V45.3Very low61.3Low64 Ų6477.1 Ų77.139%0.38845%0.445SS..G310 helixtrans-70.9-15179.9174.70000111.8M489 P635 M640 L641M489-V638 HydrophobicContact CE-CG1 4.47Å; M489-V638 HydrophobicContact CE-CG2 4.49Å; P635-V638 HydrophobicContact CB-CB 4.2Å; P635-V638 HydrophobicContact CB-CG2 3.65Å; P635-V638 HydrophobicContact CG-CG2 4.2Å; V638-M640 PolarHBondContact O-N 3.24Å; V638-L641 PolarHBondContact O-N 3.22Å
639I42.7Very low59.3Low28 Ų2875.1 Ų75.114%0.14444%0.442CS..G310 helixtrans-62.3-24.9169.1-71.8174.3000112.2R542 L543 G637R542-I639 HydrophobicContact CG-CD1 3.98Å; L543-I639 HydrophobicContact CB-CG1 4.32Å; L543-I639 HydrophobicContact CD1-CB 4.1Å; L543-I639 HydrophobicContact CD1-CG1 4.11Å; L543-I639 HydrophobicContact CD1-CG2 3.61Å; G637-I639 PolarHBondContact O-N 2.75Å
640M30.5Very low57Low155 Ų15574.3 Ų74.376%0.76443%0.43SS*.G310 helixtrans-81.6-19.2-178.3-70.4-88.2-77.700114.3G637 V638 H642G637-M640 WeakPolarHBondContact O-CB 3.3Å; G637-M640 PolarHBondContact O-N 3.43Å; V638-M640 PolarHBondContact O-N 3.24Å; M640-H642 VanDerWaalsContact C-N 3.3Å; M640-H642 PolarHBondContact O-N 3.08Å
641L31.2Very low54.5Low137 Ų13780 Ų8072%0.71746%0.463SS*.G310 helixtrans-83.3-5.8-176.9-75.7164.4000113.7V638V638-L641 PolarHBondContact O-N 3.22Å
642H34.9Very low51.8Low118 Ų11885.8 Ų85.855%0.54650%0.496SS..  trans-138.39.2-179.6-71.2-58.8000114.6K547 M640K547-H642 VanDerWaalsContact CE-O 3.23Å; K547-H642 WeakPolarHBondContact CE-O 3.47Å; K547-H642 PolarHBondContact NZ-O 2.69Å; M640-H642 VanDerWaalsContact C-N 3.3Å; M640-H642 PolarHBondContact O-N 3.08Å
643A31.3Very low48.8Very low123 Ų12379 Ų79100%1.01747%0.473SS*.  trans-76.90164.500000109.7

Retrieved 643 of 643 residues in 1438.6 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).