A0A096LW31_POEFO Loading...

Lysophosphatidic acid receptor 3

AlphaFold DB , UniProt , Accession A0A096LW31, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 354 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
1M35.9Very low72.8Confident242 Ų242114.3 Ų114.3100%1.19261%0.606SS**  0104.10-75.9173-178.500106.9Q3M1-Q3 PolarHBondContact O-N 3.1Å
2A44.2Very low74.3Confident91 Ų91104.8 Ų104.875%0.75256%0.556SS**  trans-63.9125.6171.900000107.4N4A2-N4 PolarHBondContact O-N 3.36Å
3Q44.4Very low75.5Confident167 Ų167104.6 Ų104.678%0.7855%0.55SS**  trans-65.5103.8176.3-151.2161.30.400106.2M1 N5M1-Q3 PolarHBondContact O-N 3.1Å; Q3-N5 PolarHBondContact O-N 3.49Å
4N60.1Low76.6Confident119 Ų119100.3 Ų100.364%0.63653%0.525SS*.  trans-68.673.7175.9-86-1.8000108.6A2 C6A2-N4 PolarHBondContact O-N 3.36Å; N4-C6 PolarHBondContact O-N 3.16Å; N4-C6 VanDerWaalsContact O-N 3.13Å
5N81.6Confident77.5Confident102 Ų10293.7 Ų93.755%0.54549%0.49SS..  trans-72.2104.8170.2-74.3-13.5000106.9Q3 H7Q3-N5 PolarHBondContact O-N 3.49Å; N5-H7 PolarHBondContact O-CD2 3.3Å; N5-H7 PolarHBondContact O-NE2 3.43Å
6C87.5Confident78.1Confident55 Ų5588.5 Ų88.537%0.37246%0.462SS..  trans-80.8125.7176.6-59.90000110.2N4 Y8 C171N4-C6 PolarHBondContact O-N 3.16Å; N4-C6 VanDerWaalsContact O-N 3.13Å; C6-Y8 VanDerWaalsContact C-N 3.34Å; C6-Y8 HydrophobicContact CB-CD2 3.58Å; C6-Y8 HydrophobicContact CB-CE2 3.41Å; C6-Y8 VanDerWaalsContact CB-CE2 3.41Å; C6-Y8 PolarHBondContact O-N 3.11Å; C6-Y8 VanDerWaalsContact O-N 3.12Å; C6-C171 HydrophobicContact CB-CB 4.11Å; C6-C171 WeakPolarHBondContact CB-SG 3.49Å; C6-C171 WeakPolarHBondContact SG-CB 3.4Å; C6-C171 CovalentContact SG-SG 2.04Å; C6-C171 PolarHBondContact SG-SG 3.44Å
7H89.6Confident78.7Confident49 Ų4989.7 Ų89.723%0.22747%0.469CS..  trans-88.654.1-173-66.2-86.3000113.5N5 N9 E10 F14 F15 I99 I170N5-H7 PolarHBondContact O-CD2 3.3Å; N5-H7 PolarHBondContact O-NE2 3.43Å; H7-N9 PolarHBondContact O-N 2.81Å; H7-E10 HydrophobicContact CB-CB 4.38Å; H7-E10 HydrophobicContact CB-CG 3.82Å; H7-F14 HydrophobicContact CB-CE1 4.15Å; H7-F14 AromaticContact CE1-CZ 3.89Å; H7-F14 AromaticContact CG-CE1 3.88Å; H7-F14 AromaticContact ND1-CE1 3.88Å; H7-F14 AromaticContact ND1-CZ 3.76Å; H7-F15 HydrophobicContact CB-CE1 4.34Å; H7-F15 HydrophobicContact CB-CZ 3.89Å; H7-F15 WeakPolarHBondContact O-CZ 3.36Å; H7-I99 WeakPolarHBondContact O-CD1 3.41Å; H7-I170 HydrophobicContact CB-CG2 4.35Å; H7-I170 PolarHBondContact N-O 3.14Å
8Y86.3Confident79.1Confident125 Ų12592.4 Ų92.449%0.4948%0.477SS..THydrogen-bonded Turntrans-74.6-21.6-176.6-73.2-74.2000115C6 I99 I170C6-Y8 VanDerWaalsContact C-N 3.34Å; C6-Y8 HydrophobicContact CB-CD2 3.58Å; C6-Y8 HydrophobicContact CB-CE2 3.41Å; C6-Y8 VanDerWaalsContact CB-CE2 3.41Å; C6-Y8 PolarHBondContact O-N 3.11Å; C6-Y8 VanDerWaalsContact O-N 3.12Å; Y8-I99 WeakPolarHBondContact O-CD1 3.49Å; Y8-I170 HydrophobicContact CD1-CD1 4.13Å; Y8-I170 HydrophobicContact CD1-CG2 4.06Å; Y8-I170 HydrophobicContact CD2-CG2 4.32Å; Y8-I170 HydrophobicContact CE1-CD1 3.78Å; Y8-I170 HydrophobicContact CE1-CG2 4.06Å; Y8-I170 HydrophobicContact CE2-CG2 4.33Å; Y8-I170 HydrophobicContact CG-CG2 4.19Å
9N89.5Confident79.3Confident170 Ų17089.1 Ų89.191%0.90946%0.46SS*.THydrogen-bonded Turntrans-93.4-3-178.6-68-17.1000113.1H7H7-N9 PolarHBondContact O-N 2.81Å
10E90.6Very high79.1Confident83 Ų8387.7 Ų87.739%0.38847%0.469SS..SBendtrans-78.6149.2178.4-63.6-63.3165.400111.1H7 F14 F15H7-E10 HydrophobicContact CB-CB 4.38Å; H7-E10 HydrophobicContact CB-CG 3.82Å; E10-F14 HydrophobicContact CB-CB 3.94Å; E10-F14 HydrophobicContact CB-CD1 3.91Å; E10-F14 HydrophobicContact CB-CG 3.98Å; E10-F14 HydrophobicContact CG-CB 4.42Å; E10-F14 HydrophobicContact CG-CD1 3.94Å; E10-F14 HydrophobicContact CG-CD2 4.41Å; E10-F14 HydrophobicContact CG-CE1 4.28Å; E10-F14 HydrophobicContact CG-CG 4.01Å; E10-F15 HydrophobicContact CB-CE2 4.1Å
11S91.3Very high78.7Confident54 Ų5485.4 Ų85.438%0.37846%0.455SS..  trans-74.5164.2171.8680000111.1Q13 F14 F15S11-Q13 PolarHBondContact O-N 3.08Å; S11-F14 WeakPolarHBondContact O-CB 3.39Å; S11-F14 PolarHBondContact O-N 3.48Å; S11-F15 WeakPolarHBondContact O-CD2 3.25Å
12M90.9Very high79.9Confident0 Ų083.3 Ų83.30%043%0.434CS..Hα-helixtrans-58.8-30.4175.4-78-60.3-53.800112.4F14 F15 Y16 L97 Y102 P181 I182M12-F14 VanDerWaalsContact C-N 3.29Å; M12-F14 PolarHBondContact O-N 3Å; M12-F15 PolarHBondContact O-N 3.3Å; M12-F15 HydrophobicContact SD-CD2 4.47Å; M12-Y16 HydrophobicContact CB-CD2 4.27Å; M12-Y16 HydrophobicContact CB-CE2 4.29Å; M12-Y16 HydrophobicContact CE-CD2 4.32Å; M12-Y16 HydrophobicContact CE-CE2 3.93Å; M12-Y16 VanDerWaalsContact O-CD2 3.27Å; M12-Y16 WeakPolarHBondContact O-CD2 3.47Å; M12-Y16 PolarHBondContact O-N 3.06Å; M12-L97 WeakPolarHBondContact CB-O 3.31Å; M12-L97 HydrophobicContact CG-CB 4.13Å; M12-L97 WeakPolarHBondContact CG-O 3.49Å; M12-L97 PolarHBondContact N-O 3.47Å; M12-Y102 HydrophobicContact CE-CD1 4.08Å; M12-Y102 HydrophobicContact CE-CD2 3.16Å; M12-Y102 HydrophobicContact CE-CE1 4.26Å; M12-Y102 HydrophobicContact CE-CE2 3.35Å; M12-Y102 HydrophobicContact CE-CG 3.54Å; M12-Y102 HydrophobicContact CG-CD2 4.11Å; M12-Y102 HydrophobicContact CG-CG 4.31Å; M12-Y102 HydrophobicContact SD-CD1 4.36Å; M12-Y102 HydrophobicContact SD-CD2 3.8Å; M12-Y102 HydrophobicContact SD-CG 3.67Å; M12-P181 HydrophobicContact CE-CB 4.17Å; M12-I182 HydrophobicContact CE-CG2 3.9Å; M12-I182 HydrophobicContact SD-CD1 4.18Å; M12-I182 HydrophobicContact SD-CG2 3.77Å
13Q89.6Confident80.7Confident103 Ų10382.2 Ų82.248%0.48141%0.413SS..Hα-helixtrans-52.9-43.7176.8-173.9171.2-3.100113S11 F15 Y16 D17 P95S11-Q13 PolarHBondContact O-N 3.08Å; Q13-F15 VanDerWaalsContact C-N 3.29Å; Q13-F15 PolarHBondContact O-N 3.47Å; Q13-Y16 PolarHBondContact O-N 3.03Å; Q13-Y16 VanDerWaalsContact O-N 3.13Å; Q13-D17 PolarHBondContact O-N 3.47Å; Q13-P95 HydrophobicContact CB-CB 3.92Å; Q13-P95 HydrophobicContact CG-CB 4.33Å; Q13-P95 PolarHBondContact N-O 2.92Å
14F91.2Very high81.4Confident44 Ų4480.5 Ų80.519%0.19341%0.409CS..Hα-helixtrans-53.9-45.6176171.3-97.6000112.2H7 E10 S11 M12 D17 K18 L173H7-F14 HydrophobicContact CB-CE1 4.15Å; H7-F14 AromaticContact CE1-CZ 3.89Å; H7-F14 AromaticContact CG-CE1 3.88Å; H7-F14 AromaticContact ND1-CE1 3.88Å; H7-F14 AromaticContact ND1-CZ 3.76Å; E10-F14 HydrophobicContact CB-CB 3.94Å; E10-F14 HydrophobicContact CB-CD1 3.91Å; E10-F14 HydrophobicContact CB-CG 3.98Å; E10-F14 HydrophobicContact CG-CB 4.42Å; E10-F14 HydrophobicContact CG-CD1 3.94Å; E10-F14 HydrophobicContact CG-CD2 4.41Å; E10-F14 HydrophobicContact CG-CE1 4.28Å; E10-F14 HydrophobicContact CG-CG 4.01Å; S11-F14 WeakPolarHBondContact O-CB 3.39Å; S11-F14 PolarHBondContact O-N 3.48Å; M12-F14 VanDerWaalsContact C-N 3.29Å; M12-F14 PolarHBondContact O-N 3Å; F14-D17 PolarHBondContact O-N 3.42Å; F14-K18 HydrophobicContact CE1-CG 4.23Å; F14-K18 HydrophobicContact CE2-CG 4.22Å; F14-K18 HydrophobicContact CZ-CG 4.04Å; F14-K18 WeakPolarHBondContact O-CB 3.37Å; F14-K18 WeakPolarHBondContact O-CG 3.24Å; F14-K18 PolarHBondContact O-N 3.24Å; F14-L173 HydrophobicContact CE1-CD1 3.98Å; F14-L173 HydrophobicContact CE1-CD2 4.1Å; F14-L173 HydrophobicContact CZ-CD1 3.87Å
15F90.4Very high81.7Confident1 Ų179.1 Ų79.10%0.00440%0.401CS..Hα-helixtrans-71.7-35.7179.6-62.5-81.8000112.4H7 E10 S11 M12 Q13 V19 I99 I170 L173 P181 I182H7-F15 HydrophobicContact CB-CE1 4.34Å; H7-F15 HydrophobicContact CB-CZ 3.89Å; H7-F15 WeakPolarHBondContact O-CZ 3.36Å; E10-F15 HydrophobicContact CB-CE2 4.1Å; S11-F15 WeakPolarHBondContact O-CD2 3.25Å; M12-F15 PolarHBondContact O-N 3.3Å; M12-F15 HydrophobicContact SD-CD2 4.47Å; Q13-F15 VanDerWaalsContact C-N 3.29Å; Q13-F15 PolarHBondContact O-N 3.47Å; F15-V19 WeakPolarHBondContact O-CB 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.25Å; F15-V19 PolarHBondContact O-N 2.85Å; F15-I99 HydrophobicContact CE2-CD1 3.75Å; F15-I99 HydrophobicContact CE2-CG1 4.05Å; F15-I99 HydrophobicContact CZ-CD1 4.07Å; F15-I170 HydrophobicContact CE1-CG1 4.49Å; F15-I170 HydrophobicContact CZ-CG1 4.4Å; F15-I170 HydrophobicContact CZ-CG2 4.38Å; F15-L173 HydrophobicContact CD1-CD2 4.07Å; F15-L173 HydrophobicContact CE1-CD2 3.81Å; F15-P181 HydrophobicContact CB-CB 3.89Å; F15-I182 HydrophobicContact CB-CG2 4.08Å; F15-I182 HydrophobicContact CD1-CG2 3.83Å; F15-I182 HydrophobicContact CD2-CG2 3.75Å; F15-I182 HydrophobicContact CE1-CG2 4.15Å; F15-I182 HydrophobicContact CE2-CG2 4.09Å; F15-I182 HydrophobicContact CG-CG2 3.6Å; F15-I182 HydrophobicContact CZ-CG2 4.27Å
16Y87.1Confident81.4Confident11 Ų1178.5 Ų78.54%0.04340%0.401CS..Hα-helixtrans-62.8-43.9174.4-87.9-84000111.7M12 Q13 G20 K21 S94 Y102 P181M12-Y16 HydrophobicContact CB-CD2 4.27Å; M12-Y16 HydrophobicContact CB-CE2 4.29Å; M12-Y16 HydrophobicContact CE-CD2 4.32Å; M12-Y16 HydrophobicContact CE-CE2 3.93Å; M12-Y16 VanDerWaalsContact O-CD2 3.27Å; M12-Y16 WeakPolarHBondContact O-CD2 3.47Å; M12-Y16 PolarHBondContact O-N 3.06Å; Q13-Y16 PolarHBondContact O-N 3.03Å; Q13-Y16 VanDerWaalsContact O-N 3.13Å; Y16-G20 PolarHBondContact O-N 3.33Å; Y16-K21 HydrophobicContact CD1-CB 4.01Å; Y16-K21 HydrophobicContact CD1-CD 3.69Å; Y16-K21 HydrophobicContact CD1-CG 3.97Å; Y16-K21 HydrophobicContact CE1-CD 3.54Å; Y16-K21 HydrophobicContact CE1-CG 4.18Å; Y16-K21 PolarHBondContact O-N 2.88Å; Y16-S94 PolarHBondContact OH-OG 3.31Å; Y16-Y102 HydrophobicContact CE2-CE2 4.46Å; Y16-P181 HydrophobicContact CD1-CG 3.96Å; Y16-P181 HydrophobicContact CD2-CG 4.34Å; Y16-P181 HydrophobicContact CE1-CG 3.87Å; Y16-P181 HydrophobicContact CE2-CG 4.27Å; Y16-P181 HydrophobicContact CG-CG 4.17Å
17D87.4Confident81Confident109 Ų10979.8 Ų79.858%0.58341%0.411SS*.Hα-helixtrans-68.5-43.6-179.6-69.6-21.9000111.6Q13 F14 V19 G20Q13-D17 PolarHBondContact O-N 3.47Å; F14-D17 PolarHBondContact O-N 3.42Å; D17-V19 VanDerWaalsContact C-N 3.26Å; D17-V19 PolarHBondContact O-N 3.25Å; D17-G20 PolarHBondContact O-N 2.94Å
18K86.3Confident80.7Confident139 Ų13982.3 Ų82.360%0.60443%0.43SS*.Hα-helixtrans-60.3-35.7178.3-80.6-69.7179-175.30113.6F14 G20F14-K18 HydrophobicContact CE1-CG 4.23Å; F14-K18 HydrophobicContact CE2-CG 4.22Å; F14-K18 HydrophobicContact CZ-CG 4.04Å; F14-K18 WeakPolarHBondContact O-CB 3.37Å; F14-K18 WeakPolarHBondContact O-CG 3.24Å; F14-K18 PolarHBondContact O-N 3.24Å; K18-G20 VanDerWaalsContact C-N 3.27Å
19V82.4Confident80.4Confident28 Ų2882.1 Ų82.117%0.1744%0.435CS..THydrogen-bonded Turntrans-87.6-2.4-178.1178.90000111.6F15 D17 K21 C176 S177 K178F15-V19 WeakPolarHBondContact O-CB 3.31Å; F15-V19 WeakPolarHBondContact O-CG2 3.25Å; F15-V19 PolarHBondContact O-N 2.85Å; D17-V19 VanDerWaalsContact C-N 3.26Å; D17-V19 PolarHBondContact O-N 3.25Å; V19-K21 VanDerWaalsContact C-N 3.26Å; V19-K21 PolarHBondContact O-N 2.68Å; V19-C176 HydrophobicContact CG2-CB 3.97Å; V19-S177 WeakPolarHBondContact CG1-O 3.29Å; V19-K178 HydrophobicContact CG1-CB 4.08Å; V19-K178 HydrophobicContact CG1-CG 3.9Å
20G74.9Confident80.1Confident61 Ų6174.9 Ų74.963%0.62940%0.396SS*.THydrogen-bonded Turntrans7021.917900000113.4Y16 D17 K18 R22Y16-G20 PolarHBondContact O-N 3.33Å; D17-G20 PolarHBondContact O-N 2.94Å; K18-G20 VanDerWaalsContact C-N 3.27Å; G20-R22 PolarHBondContact O-N 3.11Å; G20-R22 VanDerWaalsContact O-N 3.08Å
21K71.2Confident79.8Confident40 Ų4075.6 Ų75.617%0.17440%0.402CS..  trans-85.981.2-175.6-172.7176.8177.6-174.30110.6Y16 V19 Q23 K178 M179 P181Y16-K21 HydrophobicContact CD1-CB 4.01Å; Y16-K21 HydrophobicContact CD1-CD 3.69Å; Y16-K21 HydrophobicContact CD1-CG 3.97Å; Y16-K21 HydrophobicContact CE1-CD 3.54Å; Y16-K21 HydrophobicContact CE1-CG 4.18Å; Y16-K21 PolarHBondContact O-N 2.88Å; V19-K21 VanDerWaalsContact C-N 3.26Å; V19-K21 PolarHBondContact O-N 2.68Å; K21-Q23 PolarHBondContact O-N 3.03Å; K21-K178 WeakPolarHBondContact CD-O 3.46Å; K21-M179 PolarHBondContact NZ-O 3.2Å; K21-P181 HydrophobicContact CD-CG 3.95Å
22R61.3Low79.5Confident199 Ų19976.7 Ų76.775%0.75141%0.406SS*.  trans-74116.7171.8-102.2178.6-178.4167.50.2111.4G20 N24G20-R22 PolarHBondContact O-N 3.11Å; G20-R22 VanDerWaalsContact O-N 3.08Å; R22-N24 VanDerWaalsContact C-N 3.3Å; R22-N24 PolarHBondContact O-N 3.29Å
23Q61.8Low79.1Confident67 Ų6779.4 Ų79.431%0.31342%0.423SS..  trans-80.576.2171.1-63.2-169.415.900110.1K21 L25 G91K21-Q23 PolarHBondContact O-N 3.03Å; Q23-L25 PolarHBondContact O-N 2.9Å; Q23-G91 VanDerWaalsContact OE1-CA 3.24Å; Q23-G91 PolarHBondContact OE1-O 2.72Å
24N58.3Low78.9Confident132 Ų13276.8 Ų76.871%0.70641%0.411SS*.  trans-80.756.5172.1-68.8-8.7000110.5R22R22-N24 VanDerWaalsContact C-N 3.3Å; R22-N24 PolarHBondContact O-N 3.29Å
25L67.6Low78.7Confident90 Ų9078.9 Ų78.947%0.47143%0.427SS..  trans-92.8125.4169.7-128.376000107.7Q23 M29 L30Q23-L25 PolarHBondContact O-N 2.9Å; L25-M29 HydrophobicContact CD2-CB 4.16Å; L25-M29 HydrophobicContact CG-CB 3.92Å; L25-L30 HydrophobicContact CD2-CB 4.21Å; L25-L30 HydrophobicContact CD2-CD1 4.33Å
26T75.5Confident78.6Confident88 Ų8882.2 Ų82.254%0.5445%0.447SS..  trans-62.1145.617156.60000109.1T28 M29 L30T26-T28 PolarHBondContact O-N 2.7Å; T26-M29 WeakPolarHBondContact O-CB 3.43Å; T26-M29 PolarHBondContact O-N 3.42Å; T26-M29 VanDerWaalsContact OG1-CG 3.24Å; T26-M29 WeakPolarHBondContact OG1-CG 3.38Å; T26-M29 PolarHBondContact OG1-N 3.03Å; T26-L30 PolarHBondContact O-N 3.49Å
27S79.1Confident78.6Confident83 Ų8382 Ų8258%0.5845%0.448SS*.Hα-helixtrans-52.8-34.9179.1-47.60000111.6L30 I31S27-L30 PolarHBondContact O-N 2.96Å; S27-I31 WeakPolarHBondContact O-CD1 3.32Å; S27-I31 VanDerWaalsContact O-CG1 3.25Å; S27-I31 WeakPolarHBondContact O-CG1 3.43Å; S27-I31 PolarHBondContact O-N 2.89Å
28T81.9Confident78.6Confident102 Ų10278 Ų7863%0.62643%0.429SS*.Hα-helixtrans-61.4-45.1173.8-450000113.2T26 L30 T32T26-T28 PolarHBondContact O-N 2.7Å; T28-L30 VanDerWaalsContact C-N 3.35Å; T28-T32 WeakPolarHBondContact O-CB 3.26Å; T28-T32 PolarHBondContact O-N 2.73Å; T28-T32 PolarHBondContact O-OG1 3.28Å
29M80.9Confident78.7Confident120 Ų12075.7 Ų75.759%0.59143%0.426SS*.Hα-helixtrans-65.6-39.6176.9-74.6-112.8151.800111.3L25 T26 T32 V33L25-M29 HydrophobicContact CD2-CB 4.16Å; L25-M29 HydrophobicContact CG-CB 3.92Å; T26-M29 WeakPolarHBondContact O-CB 3.43Å; T26-M29 PolarHBondContact O-N 3.42Å; T26-M29 VanDerWaalsContact OG1-CG 3.24Å; T26-M29 WeakPolarHBondContact OG1-CG 3.38Å; T26-M29 PolarHBondContact OG1-N 3.03Å; M29-T32 PolarHBondContact O-N 2.82Å; M29-V33 VanDerWaalsContact O-CG2 3.31Å; M29-V33 WeakPolarHBondContact O-CG2 3.38Å; M29-V33 PolarHBondContact O-N 3.23Å
30L81.9Confident79.1Confident18 Ų1878.3 Ų78.39%0.09444%0.435CS..Hα-helixtrans-63.5-50.9178.2-177.864.8000111.7L25 T26 S27 T28 T32 V33 Q34 T90L25-L30 HydrophobicContact CD2-CB 4.21Å; L25-L30 HydrophobicContact CD2-CD1 4.33Å; T26-L30 PolarHBondContact O-N 3.49Å; S27-L30 PolarHBondContact O-N 2.96Å; T28-L30 VanDerWaalsContact C-N 3.35Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 3.44Å; L30-V33 PolarHBondContact O-N 3.49Å; L30-Q34 HydrophobicContact CD1-CG 4.49Å; L30-Q34 WeakPolarHBondContact O-CG 3.47Å; L30-Q34 PolarHBondContact O-N 2.84Å; L30-T90 HydrophobicContact CD1-CG2 3.89Å
31I84.6Confident79.8Confident99 Ų9975.4 Ų75.451%0.50841%0.406SS..Hα-helixtrans-59.1-43177.7-66.9164.7000110.1S27 V33 Q34 V35S27-I31 WeakPolarHBondContact O-CD1 3.32Å; S27-I31 VanDerWaalsContact O-CG1 3.25Å; S27-I31 WeakPolarHBondContact O-CG1 3.43Å; S27-I31 PolarHBondContact O-N 2.89Å; I31-V33 PolarHBondContact O-N 3.07Å; I31-Q34 PolarHBondContact O-N 3.35Å; I31-V35 HydrophobicContact CG2-CG2 4.19Å; I31-V35 WeakPolarHBondContact O-CB 3.48Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.33Å; I31-V35 PolarHBondContact O-N 3.05Å
32T84.7Confident80.7Confident77 Ų7778.5 Ų78.547%0.47242%0.423SS..Hα-helixtrans-60.4-48.2178.2-56.70000111.3T28 M29 L30 Q34 V35 V36T28-T32 WeakPolarHBondContact O-CB 3.26Å; T28-T32 PolarHBondContact O-N 2.73Å; T28-T32 PolarHBondContact O-OG1 3.28Å; M29-T32 PolarHBondContact O-N 2.82Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 3.44Å; T32-Q34 VanDerWaalsContact C-N 3.33Å; T32-Q34 PolarHBondContact O-N 3.01Å; T32-V35 PolarHBondContact O-N 3.46Å; T32-V36 HydrophobicContact CG2-CG2 4.26Å; T32-V36 VanDerWaalsContact O-CB 3.28Å; T32-V36 WeakPolarHBondContact O-CB 3.31Å; T32-V36 VanDerWaalsContact O-CG2 3.24Å; T32-V36 WeakPolarHBondContact O-CG2 3.17Å; T32-V36 PolarHBondContact O-N 3.22Å
33V83.1Confident82.1Confident56 Ų5673.8 Ų73.834%0.33941%0.408SS..Hα-helixtrans-62.1-41178169.70000111.3M29 L30 I31 G37 M87M29-V33 VanDerWaalsContact O-CG2 3.31Å; M29-V33 WeakPolarHBondContact O-CG2 3.38Å; M29-V33 PolarHBondContact O-N 3.23Å; L30-V33 PolarHBondContact O-N 3.49Å; I31-V33 PolarHBondContact O-N 3.07Å; V33-G37 VanDerWaalsContact O-CA 3.31Å; V33-G37 WeakPolarHBondContact O-CA 3.16Å; V33-G37 PolarHBondContact O-N 2.82Å; V33-M87 HydrophobicContact CG1-SD 4.13Å
34Q85.7Confident83.5Confident49 Ų4970.6 Ų70.623%0.22939%0.393CS..Hα-helixtrans-66.4-46178.9-74.6177.1-24.300112.5L30 I31 T32 S38 M87L30-Q34 HydrophobicContact CD1-CG 4.49Å; L30-Q34 WeakPolarHBondContact O-CG 3.47Å; L30-Q34 PolarHBondContact O-N 2.84Å; I31-Q34 PolarHBondContact O-N 3.35Å; T32-Q34 VanDerWaalsContact C-N 3.33Å; T32-Q34 PolarHBondContact O-N 3.01Å; Q34-S38 WeakPolarHBondContact O-CB 3.35Å; Q34-S38 PolarHBondContact O-N 2.83Å; Q34-S38 PolarHBondContact O-OG 3.18Å; Q34-M87 PolarHBondContact NE2-O 3.24Å
35V87.8Confident85.1Confident88 Ų8866.1 Ų66.153%0.53337%0.369SS..Hα-helixtrans-66.6-49.9-179.9171.50000110.8I31 T32 S38 T39I31-V35 HydrophobicContact CG2-CG2 4.19Å; I31-V35 WeakPolarHBondContact O-CB 3.48Å; I31-V35 VanDerWaalsContact O-CG2 3.31Å; I31-V35 WeakPolarHBondContact O-CG2 3.33Å; I31-V35 PolarHBondContact O-N 3.05Å; T32-V35 PolarHBondContact O-N 3.46Å; V35-S38 PolarHBondContact O-N 3.36Å; V35-T39 PolarHBondContact O-N 3.16Å; V35-T39 PolarHBondContact O-OG1 3.23Å
36V87.3Confident86.2Confident70 Ų7066.3 Ų66.342%0.42437%0.374SS..Hα-helixtrans-63.8-47.1178.9173.80000110.1T32 S38 T39 F40T32-V36 HydrophobicContact CG2-CG2 4.26Å; T32-V36 VanDerWaalsContact O-CB 3.28Å; T32-V36 WeakPolarHBondContact O-CB 3.31Å; T32-V36 VanDerWaalsContact O-CG2 3.24Å; T32-V36 WeakPolarHBondContact O-CG2 3.17Å; T32-V36 PolarHBondContact O-N 3.22Å; V36-S38 PolarHBondContact O-N 3.03Å; V36-T39 WeakPolarHBondContact O-CB 3.35Å; V36-T39 PolarHBondContact O-N 2.85Å; V36-F40 HydrophobicContact CG1-CD2 3.8Å; V36-F40 HydrophobicContact CG1-CE2 3.54Å; V36-F40 WeakPolarHBondContact O-CD2 3.36Å; V36-F40 PolarHBondContact O-N 3.18Å; V36-F40 VanDerWaalsContact O-N 3.09Å
37G86.6Confident86.9Confident7 Ų762.5 Ų62.57%0.07235%0.352CS..Hα-helixtrans-59.2-46.6178.100000112.7V33 T39 F40 C41V33-G37 VanDerWaalsContact O-CA 3.31Å; V33-G37 WeakPolarHBondContact O-CA 3.16Å; V33-G37 PolarHBondContact O-N 2.82Å; G37-T39 VanDerWaalsContact C-N 3.31Å; G37-T39 PolarHBondContact O-N 3.45Å; G37-F40 PolarHBondContact O-N 3.45Å; G37-C41 PolarHBondContact O-N 3.42Å; G37-C41 PolarHBondContact O-SG 2.79Å
38S88.4Confident87.5Confident26 Ų2658.6 Ų58.618%0.18232%0.324CS..Hα-helixtrans-62.6-38.4177.8-60.70000112Q34 V35 V36 C41 I42Q34-S38 WeakPolarHBondContact O-CB 3.35Å; Q34-S38 PolarHBondContact O-N 2.83Å; Q34-S38 PolarHBondContact O-OG 3.18Å; V35-S38 PolarHBondContact O-N 3.36Å; V36-S38 PolarHBondContact O-N 3.03Å; S38-C41 PolarHBondContact O-N 3.4Å; S38-I42 WeakPolarHBondContact O-CG1 3.48Å; S38-I42 PolarHBondContact O-N 2.97Å
39T89.1Confident87.9Confident89 Ų8956 Ų5655%0.54631%0.31SS..Hα-helixtrans-61.2-46.6175.8-560000111.2V35 V36 G37 C41 I42 F43V35-T39 PolarHBondContact O-N 3.16Å; V35-T39 PolarHBondContact O-OG1 3.23Å; V36-T39 WeakPolarHBondContact O-CB 3.35Å; V36-T39 PolarHBondContact O-N 2.85Å; G37-T39 VanDerWaalsContact C-N 3.31Å; G37-T39 PolarHBondContact O-N 3.45Å; T39-C41 VanDerWaalsContact C-N 3.34Å; T39-C41 PolarHBondContact O-N 3.45Å; T39-I42 PolarHBondContact O-N 3.37Å; T39-F43 PolarHBondContact O-N 3.3Å; T39-F43 VanDerWaalsContact O-N 3.1Å
40F88.9Confident88.3Confident83 Ų8352.3 Ų52.336%0.36429%0.292SS..Hα-helixtrans-63.2-39.3174.6-78.5-67.8000112.5V36 G37 F43 I44 V283 V287V36-F40 HydrophobicContact CG1-CD2 3.8Å; V36-F40 HydrophobicContact CG1-CE2 3.54Å; V36-F40 WeakPolarHBondContact O-CD2 3.36Å; V36-F40 PolarHBondContact O-N 3.18Å; V36-F40 VanDerWaalsContact O-N 3.09Å; G37-F40 PolarHBondContact O-N 3.45Å; F40-F43 WeakPolarHBondContact O-CB 3.2Å; F40-F43 PolarHBondContact O-N 2.95Å; F40-I44 VanDerWaalsContact O-CG1 3.28Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å; F40-I44 PolarHBondContact O-N 2.95Å; F40-V283 HydrophobicContact CB-CG1 3.63Å; F40-V283 HydrophobicContact CD1-CG1 4.22Å; F40-V283 HydrophobicContact CD2-CG1 4.42Å; F40-V283 HydrophobicContact CG-CG1 3.86Å; F40-V287 HydrophobicContact CD1-CG2 4.29Å
41C90.6Very high88.6Confident0 Ų051.5 Ų51.50%029%0.288CS..Hα-helixtrans-63-44.2177.8-64.60000112.1G37 S38 T39 F43 I44 L45 Y83 V84G37-C41 PolarHBondContact O-N 3.42Å; G37-C41 PolarHBondContact O-SG 2.79Å; S38-C41 PolarHBondContact O-N 3.4Å; T39-C41 VanDerWaalsContact C-N 3.34Å; T39-C41 PolarHBondContact O-N 3.45Å; C41-F43 VanDerWaalsContact C-N 3.28Å; C41-F43 PolarHBondContact O-N 2.68Å; C41-I44 PolarHBondContact O-N 3.13Å; C41-L45 VanDerWaalsContact O-CG 3.29Å; C41-L45 WeakPolarHBondContact O-CG 3.34Å; C41-L45 PolarHBondContact O-N 3.31Å; C41-Y83 WeakPolarHBondContact SG-CB 3.08Å; C41-V84 HydrophobicContact CB-CG2 3.46Å; C41-V84 VanDerWaalsContact CB-CG2 3.46Å
42I90.8Very high88.9Confident106 Ų10648.6 Ų48.654%0.54427%0.273SS..Hα-helixtrans-58.7-44.9175.2-68.2164.8000110S38 T39 L45 V46S38-I42 WeakPolarHBondContact O-CG1 3.48Å; S38-I42 PolarHBondContact O-N 2.97Å; T39-I42 PolarHBondContact O-N 3.37Å; I42-L45 PolarHBondContact O-N 3.13Å; I42-V46 HydrophobicContact CG2-CG2 4.35Å; I42-V46 WeakPolarHBondContact O-CB 3.18Å; I42-V46 VanDerWaalsContact O-CG2 3.28Å; I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 3.01Å
43F90.3Very high89Confident99 Ų9946.4 Ų46.443%0.43426%0.263SS..Hα-helixtrans-59.6-47.9175.9-178.8-87.7000112T39 F40 C41 L45 V46 A47 V287T39-F43 PolarHBondContact O-N 3.3Å; T39-F43 VanDerWaalsContact O-N 3.1Å; F40-F43 WeakPolarHBondContact O-CB 3.2Å; F40-F43 PolarHBondContact O-N 2.95Å; C41-F43 VanDerWaalsContact C-N 3.28Å; C41-F43 PolarHBondContact O-N 2.68Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.29Å; F43-V46 PolarHBondContact O-N 3.06Å; F43-A47 HydrophobicContact CD1-CB 4.39Å; F43-A47 HydrophobicContact CE1-CB 4.03Å; F43-A47 HydrophobicContact CZ-CB 4.31Å; F43-A47 WeakPolarHBondContact O-CB 3.45Å; F43-A47 PolarHBondContact O-N 3.48Å; F43-V287 HydrophobicContact CD1-CG1 4.16Å; F43-V287 HydrophobicContact CD1-CG2 4.07Å; F43-V287 HydrophobicContact CE1-CB 4.48Å; F43-V287 HydrophobicContact CE1-CG1 3.78Å; F43-V287 HydrophobicContact CE1-CG2 4.45Å
44I90.9Very high89.1Confident0 Ų043.8 Ų43.80%025%0.247CC..Hα-helixtrans-56.9-47.9177.8-70.6164.4000110.5F40 C41 N48 D76 Y83 V283 V287F40-I44 VanDerWaalsContact O-CG1 3.28Å; F40-I44 WeakPolarHBondContact O-CG1 3.34Å; F40-I44 PolarHBondContact O-N 2.95Å; C41-I44 PolarHBondContact O-N 3.13Å; I44-N48 VanDerWaalsContact O-CB 3.32Å; I44-N48 WeakPolarHBondContact O-CB 3.28Å; I44-N48 PolarHBondContact O-N 3.4Å; I44-N48 PolarHBondContact O-ND2 2.69Å; I44-D76 WeakPolarHBondContact CG2-O 3.27Å; I44-Y83 HydrophobicContact CD1-CD2 4.39Å; I44-V283 HydrophobicContact CD1-CG1 4.12Å; I44-V287 HydrophobicContact CD1-CG2 4.04Å; I44-V287 HydrophobicContact CG1-CG2 3.6Å
45L92.7Very high89.2Confident38 Ų3841.6 Ų41.620%0.19924%0.237CC..Hα-helixtrans-61.8-48.8-179.2-70.3171.7000111.3C41 I42 F43 S49 F77 I81 V84C41-L45 VanDerWaalsContact O-CG 3.29Å; C41-L45 WeakPolarHBondContact O-CG 3.34Å; C41-L45 PolarHBondContact O-N 3.31Å; I42-L45 PolarHBondContact O-N 3.13Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.29Å; L45-S49 WeakPolarHBondContact O-CB 3.24Å; L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 2.94Å; L45-F77 HydrophobicContact CB-CD2 4.41Å; L45-F77 HydrophobicContact CB-CE2 4.18Å; L45-F77 HydrophobicContact CD2-CD2 3.61Å; L45-F77 HydrophobicContact CD2-CE2 3.51Å; L45-F77 HydrophobicContact CD2-CG 4.18Å; L45-F77 HydrophobicContact CD2-CZ 4.02Å; L45-F77 WeakPolarHBondContact CD2-O 3.24Å; L45-F77 HydrophobicContact CG-CE2 4.45Å; L45-I81 HydrophobicContact CD2-CG1 3.83Å; L45-V84 HydrophobicContact CD1-CG2 4.22Å
46V90.6Very high89.1Confident94 Ų9443.1 Ų43.157%0.5724%0.241SC*.Hα-helixtrans-65.6-47.7-179.2172.30000111I42 F43 S49 M50I42-V46 HydrophobicContact CG2-CG2 4.35Å; I42-V46 WeakPolarHBondContact O-CB 3.18Å; I42-V46 VanDerWaalsContact O-CG2 3.28Å; I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 3.01Å; F43-V46 PolarHBondContact O-N 3.06Å; V46-S49 PolarHBondContact O-N 3.1Å; V46-M50 WeakPolarHBondContact O-CB 3.36Å; V46-M50 PolarHBondContact O-N 3.41Å
47A89.2Confident88.9Confident9 Ų944.2 Ų44.27%0.07425%0.247CC..Hα-helixtrans-64.5-45.2-176.700000111.8F43 M50 V51 P290F43-A47 HydrophobicContact CD1-CB 4.39Å; F43-A47 HydrophobicContact CE1-CB 4.03Å; F43-A47 HydrophobicContact CZ-CB 4.31Å; F43-A47 WeakPolarHBondContact O-CB 3.45Å; F43-A47 PolarHBondContact O-N 3.48Å; A47-M50 PolarHBondContact O-N 3.48Å; A47-V51 WeakPolarHBondContact O-CG2 3.22Å; A47-V51 PolarHBondContact O-N 3.48Å; A47-V51 VanDerWaalsContact O-N 3.14Å; A47-P290 HydrophobicContact CB-CB 3.83Å; A47-P290 HydrophobicContact CB-CG 3.73Å
48N91.8Very high88.6Confident0 Ų045.5 Ų45.50%025%0.253CS..Hα-helixtrans-72-33.9177.8-72.9-70000112.5I44 M50 V51 I52 A73 F77 S286I44-N48 VanDerWaalsContact O-CB 3.32Å; I44-N48 WeakPolarHBondContact O-CB 3.28Å; I44-N48 PolarHBondContact O-N 3.4Å; I44-N48 PolarHBondContact O-ND2 2.69Å; N48-M50 VanDerWaalsContact C-N 3.29Å; N48-M50 PolarHBondContact O-N 3.25Å; N48-V51 WeakPolarHBondContact O-CB 3.31Å; N48-V51 PolarHBondContact O-N 3.07Å; N48-I52 VanDerWaalsContact O-CG1 3.31Å; N48-I52 WeakPolarHBondContact O-CG1 3.29Å; N48-I52 PolarHBondContact O-N 2.86Å; N48-A73 HydrophobicContact CB-CB 4.29Å; N48-A73 WeakPolarHBondContact CB-O 3.36Å; N48-F77 HydrophobicContact CB-CB 4.26Å; N48-S286 PolarHBondContact ND2-O 3.22Å
49S91.3Very high88.2Confident49 Ų4952.7 Ų52.734%0.34328%0.281SS..Hα-helixtrans-60.7-40.1171-62.60000111.9L45 V46 I52 A53 F77L45-S49 WeakPolarHBondContact O-CB 3.24Å; L45-S49 PolarHBondContact O-N 2.93Å; L45-S49 PolarHBondContact O-OG 2.94Å; V46-S49 PolarHBondContact O-N 3.1Å; S49-I52 PolarHBondContact O-N 3.16Å; S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.36Å; S49-A53 PolarHBondContact O-N 2.79Å; S49-F77 WeakPolarHBondContact OG-CD2 3.31Å; S49-F77 WeakPolarHBondContact OG-CE2 3.42Å
50M88.1Confident87.6Confident42 Ų4256.2 Ų56.221%0.20728%0.284CS..Hα-helixtrans-65.4-39.3177.1-172.3177.959.100112V46 A47 N48 A53 A54 F304 M308V46-M50 WeakPolarHBondContact O-CB 3.36Å; V46-M50 PolarHBondContact O-N 3.41Å; A47-M50 PolarHBondContact O-N 3.48Å; N48-M50 VanDerWaalsContact C-N 3.29Å; N48-M50 PolarHBondContact O-N 3.25Å; M50-A53 PolarHBondContact O-N 3.09Å; M50-A54 WeakPolarHBondContact O-CB 3.46Å; M50-A54 PolarHBondContact O-N 3.45Å; M50-F304 HydrophobicContact CE-CB 4.03Å; M50-F304 HydrophobicContact CE-CD1 3.93Å; M50-F304 HydrophobicContact CE-CD2 3.4Å; M50-F304 HydrophobicContact CE-CE1 4.18Å; M50-F304 HydrophobicContact CE-CE2 3.7Å; M50-F304 HydrophobicContact CE-CG 3.53Å; M50-F304 HydrophobicContact CE-CZ 4.08Å; M50-F304 HydrophobicContact CG-CD1 3.68Å; M50-F304 HydrophobicContact CG-CE1 3.93Å; M50-F304 HydrophobicContact CG-CG 4.18Å; M50-F304 HydrophobicContact SD-CB 3.87Å; M50-F304 HydrophobicContact SD-CD1 3.94Å; M50-F304 HydrophobicContact SD-CD2 4.29Å; M50-F304 HydrophobicContact SD-CG 3.79Å; M50-M308 HydrophobicContact SD-CG 4.31Å
51V88.9Confident87Confident0 Ų052.3 Ų52.30%027%0.267CS..Hα-helixtrans-59.9-49.5173.3175.70000110.6A47 N48 A53 A54 V55 L69 A73 P290 Y293 F304A47-V51 WeakPolarHBondContact O-CG2 3.22Å; A47-V51 PolarHBondContact O-N 3.48Å; A47-V51 VanDerWaalsContact O-N 3.14Å; N48-V51 WeakPolarHBondContact O-CB 3.31Å; N48-V51 PolarHBondContact O-N 3.07Å; V51-A53 PolarHBondContact O-N 2.96Å; V51-A54 PolarHBondContact O-N 2.92Å; V51-V55 PolarHBondContact O-N 3.22Å; V51-L69 HydrophobicContact CG1-CD2 3.45Å; V51-L69 VanDerWaalsContact CG1-CD2 3.45Å; V51-A73 HydrophobicContact CB-CB 3.99Å; V51-A73 HydrophobicContact CG1-CB 3.73Å; V51-P290 HydrophobicContact CG2-CB 4.22Å; V51-P290 HydrophobicContact CG2-CG 4.34Å; V51-Y293 HydrophobicContact CG1-CD2 4.28Å; V51-Y293 HydrophobicContact CG1-CE2 4.42Å; V51-Y293 HydrophobicContact CG2-CD2 4.1Å; V51-F304 HydrophobicContact CB-CZ 4.4Å; V51-F304 HydrophobicContact CG2-CE1 4.47Å; V51-F304 HydrophobicContact CG2-CZ 3.7Å
52I90.4Very high86.5Confident39 Ų3955.9 Ų55.920%0.228%0.283CS..Hα-helixtrans-60.7-47.9179.2-64.9164000110.3N48 S49 A54 V55 I56 A73N48-I52 VanDerWaalsContact O-CG1 3.31Å; N48-I52 WeakPolarHBondContact O-CG1 3.29Å; N48-I52 PolarHBondContact O-N 2.86Å; S49-I52 PolarHBondContact O-N 3.16Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 2.96Å; I52-V55 PolarHBondContact O-N 2.82Å; I52-I56 HydrophobicContact CG2-CD1 3.75Å; I52-I56 WeakPolarHBondContact O-CG1 3.42Å; I52-I56 PolarHBondContact O-N 3.37Å; I52-I56 VanDerWaalsContact O-N 3.11Å; I52-A73 HydrophobicContact CD1-CB 4.44Å; I52-A73 HydrophobicContact CG1-CB 3.95Å
53A87.4Confident85.7Confident31 Ų3156.5 Ų56.526%0.25628%0.28SS..Hα-helixtrans-61.5-39.1178.800000112.5S49 M50 V51 V55 I56 T57 L307S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.36Å; S49-A53 PolarHBondContact O-N 2.79Å; M50-A53 PolarHBondContact O-N 3.09Å; V51-A53 PolarHBondContact O-N 2.96Å; A53-V55 PolarHBondContact O-N 3.46Å; A53-I56 PolarHBondContact O-N 3.06Å; A53-T57 WeakPolarHBondContact O-CB 3.19Å; A53-T57 VanDerWaalsContact O-CG2 3.27Å; A53-T57 WeakPolarHBondContact O-CG2 3.49Å; A53-T57 PolarHBondContact O-N 2.97Å; A53-T57 PolarHBondContact O-OG1 3.44Å; A53-L307 HydrophobicContact CB-CD2 3.76Å
54A85.5Confident84.8Confident0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-61.9-43.417700000111.9M50 V51 I52 T57 N58 F61 T303 F304 L307M50-A54 WeakPolarHBondContact O-CB 3.46Å; M50-A54 PolarHBondContact O-N 3.45Å; V51-A54 PolarHBondContact O-N 2.92Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 2.96Å; A54-T57 PolarHBondContact O-N 2.88Å; A54-T57 PolarHBondContact O-OG1 3.46Å; A54-N58 WeakPolarHBondContact O-CB 3.19Å; A54-N58 PolarHBondContact O-N 3.32Å; A54-F61 HydrophobicContact CB-CE2 4.35Å; A54-F61 WeakPolarHBondContact O-CD2 3.28Å; A54-T303 HydrophobicContact CB-CG2 3.84Å; A54-F304 HydrophobicContact CB-CD1 4.07Å; A54-F304 HydrophobicContact CB-CE1 3.7Å; A54-L307 HydrophobicContact CB-CD1 4.43Å
55V86.7Confident84.2Confident4 Ų455 Ų552%0.02428%0.275CS..Hα-helixtrans-66.1-38.2178.5176.60000111.9V51 I52 A53 F61 A70V51-V55 PolarHBondContact O-N 3.22Å; I52-V55 PolarHBondContact O-N 2.82Å; A53-V55 PolarHBondContact O-N 3.46Å; V55-F61 HydrophobicContact CG1-CB 4.44Å; V55-F61 HydrophobicContact CG2-CB 4.49Å; V55-A70 HydrophobicContact CB-CB 4.19Å; V55-A70 HydrophobicContact CG1-CB 4.1Å; V55-A70 HydrophobicContact CG2-CB 4.19Å
56I86.6Confident83.7Confident120 Ų12054.8 Ų54.862%0.61527%0.272SS*.Hα-helixtrans-70.9-40.1178.9-65.4168.3000111.8I52 A53I52-I56 HydrophobicContact CG2-CD1 3.75Å; I52-I56 WeakPolarHBondContact O-CG1 3.42Å; I52-I56 PolarHBondContact O-N 3.37Å; I52-I56 VanDerWaalsContact O-N 3.11Å; A53-I56 PolarHBondContact O-N 3.06Å
57T82.5Confident83.4Confident92 Ų9253.7 Ų53.756%0.56426%0.258SS*.Hα-helixtrans-83.1-32.7-172.752.90000113.2A53 A54A53-T57 WeakPolarHBondContact O-CB 3.19Å; A53-T57 VanDerWaalsContact O-CG2 3.27Å; A53-T57 WeakPolarHBondContact O-CG2 3.49Å; A53-T57 PolarHBondContact O-N 2.97Å; A53-T57 PolarHBondContact O-OG1 3.44Å; A54-T57 PolarHBondContact O-N 2.88Å; A54-T57 PolarHBondContact O-OG1 3.46Å
58N80.6Confident83.1Confident35 Ų3553.4 Ų53.419%0.18726%0.255CS..  trans-98.2108.3-175-169.1-14.5000111.4A54 R60 F61 T303A54-N58 WeakPolarHBondContact O-CB 3.19Å; A54-N58 PolarHBondContact O-N 3.32Å; N58-R60 PolarHBondContact O-N 3.44Å; N58-R60 VanDerWaalsContact OD1-CB 3.26Å; N58-R60 WeakPolarHBondContact OD1-CB 3.33Å; N58-R60 WeakPolarHBondContact OD1-CG 3.48Å; N58-R60 PolarHBondContact OD1-N 3.19Å; N58-F61 HydrophobicContact CB-CD2 3.64Å; N58-F61 HydrophobicContact CB-CE2 3.87Å; N58-F61 HydrophobicContact CB-CG 4.25Å; N58-F61 PolarHBondContact O-N 3.23Å; N58-T303 HydrophobicContact CB-CG2 4.34Å; N58-T303 PolarHBondContact ND2-OG1 2.95Å
59K80.5Confident82.7Confident177 Ų17753.8 Ų53.877%0.7726%0.257SS*.G310 helixtrans-55.9-25.1176.8-66-177.1-179.3179.20113.5F61 H62K59-F61 PolarHBondContact O-N 3.41Å; K59-H62 WeakPolarHBondContact O-CB 3.33Å; K59-H62 PolarHBondContact O-N 3.12Å
60R74.7Confident82.6Confident163 Ų16352.1 Ų52.162%0.61525%0.246SC*.G310 helixtrans-64.7-22.1175.4-63.1-173.6179.1-171.82112.6N58 Y63 E299N58-R60 PolarHBondContact O-N 3.44Å; N58-R60 VanDerWaalsContact OD1-CB 3.26Å; N58-R60 WeakPolarHBondContact OD1-CB 3.33Å; N58-R60 WeakPolarHBondContact OD1-CG 3.48Å; N58-R60 PolarHBondContact OD1-N 3.19Å; R60-Y63 VanDerWaalsContact O-CD2 3.3Å; R60-Y63 WeakPolarHBondContact O-CD2 3.45Å; R60-Y63 WeakPolarHBondContact O-CE2 3.47Å; R60-E299 IonicContact NH1-OE1 2.72Å; R60-E299 PolarHBondContact NH1-OE1 3.27Å
61F76.8Confident82.8Confident0 Ų050.6 Ų50.60%024%0.239CC..G310 helixtrans-91.78.3177.8-57.6-28.4000113.3A54 V55 N58 K59 Y63 Y66 E299 M300 T303A54-F61 HydrophobicContact CB-CE2 4.35Å; A54-F61 WeakPolarHBondContact O-CD2 3.28Å; V55-F61 HydrophobicContact CG1-CB 4.44Å; V55-F61 HydrophobicContact CG2-CB 4.49Å; N58-F61 HydrophobicContact CB-CD2 3.64Å; N58-F61 HydrophobicContact CB-CE2 3.87Å; N58-F61 HydrophobicContact CB-CG 4.25Å; N58-F61 PolarHBondContact O-N 3.23Å; K59-F61 PolarHBondContact O-N 3.41Å; F61-Y63 PolarHBondContact O-N 2.65Å; F61-Y66 HydrophobicContact CB-CD1 4.27Å; F61-Y66 HydrophobicContact CB-CD2 4.06Å; F61-Y66 HydrophobicContact CB-CG 3.89Å; F61-Y66 HydrophobicContact CD1-CD1 4.14Å; F61-Y66 HydrophobicContact CD1-CD2 4.21Å; F61-Y66 AromaticContact CD1-CE1 3.82Å; F61-Y66 HydrophobicContact CD1-CE1 3.82Å; F61-Y66 AromaticContact CD1-CE2 3.93Å; F61-Y66 HydrophobicContact CD1-CE2 3.93Å; F61-Y66 HydrophobicContact CD1-CG 4.34Å; F61-Y66 AromaticContact CD1-CZ 3.72Å; F61-Y66 HydrophobicContact CE1-CE1 4.22Å; F61-Y66 HydrophobicContact CG-CD1 4.27Å; F61-Y66 HydrophobicContact CG-CE1 4.4Å; F61-Y66 HydrophobicContact CG-CG 4.35Å; F61-Y66 WeakPolarHBondContact O-CB 3.37Å; F61-E299 HydrophobicContact CE1-CB 4.2Å; F61-E299 HydrophobicContact CZ-CB 4.33Å; F61-M300 HydrophobicContact CZ-CB 4.37Å; F61-T303 HydrophobicContact CE2-CG2 4.1Å
62H80.8Confident82.8Confident75 Ų7550.7 Ų50.735%0.34724%0.239SC..  trans-78.542.7177.1-69.8179000114K59K59-H62 WeakPolarHBondContact O-CB 3.33Å; K59-H62 PolarHBondContact O-N 3.12Å
63Y73.8Confident82.8Confident120 Ų12048.8 Ų48.847%0.47123%0.23SC..SBendtrans-106.7150.6172.2-69.6-90.4000111.3R60 F61 F65 Y66 Y67 H137R60-Y63 VanDerWaalsContact O-CD2 3.3Å; R60-Y63 WeakPolarHBondContact O-CD2 3.45Å; R60-Y63 WeakPolarHBondContact O-CE2 3.47Å; F61-Y63 PolarHBondContact O-N 2.65Å; Y63-F65 PolarHBondContact O-N 2.89Å; Y63-Y66 PolarHBondContact O-N 3.21Å; Y63-Y67 VanDerWaalsContact O-CD2 3.27Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.29Å; Y63-Y67 PolarHBondContact O-N 3.03Å; Y63-H137 AromaticContact CE1-CD2 3.8Å
64P72.1Confident83Confident20 Ų2049.1 Ų49.113%0.1323%0.23CC..Hα-helixtrans-45.1-41.1-179.9-34.338.4000115.4Y67 L68 L140 V145P64-Y67 PolarHBondContact O-N 3.26Å; P64-L68 PolarHBondContact O-N 3.49Å; P64-L140 HydrophobicContact CB-CB 3.78Å; P64-L140 HydrophobicContact CB-CD1 4.43Å; P64-L140 HydrophobicContact CG-CB 4.08Å; P64-L140 WeakPolarHBondContact CG-O 3.41Å; P64-V145 HydrophobicContact CB-CG2 3.87Å
65F77.6Confident83.4Confident46 Ų4649.1 Ų49.120%0.20223%0.23CC..Hα-helixtrans-63.1-43.4-179.5170.8-112.9000113Y63 Y67 L68 L69Y63-F65 PolarHBondContact O-N 2.89Å; F65-Y67 VanDerWaalsContact C-N 3.31Å; F65-Y67 PolarHBondContact O-N 2.86Å; F65-L68 WeakPolarHBondContact O-CB 3.25Å; F65-L68 PolarHBondContact O-N 2.89Å; F65-L69 HydrophobicContact CE1-CD1 4.21Å; F65-L69 HydrophobicContact CZ-CD1 3.9Å; F65-L69 PolarHBondContact O-N 3.22Å
66Y81.8Confident83.7Confident35 Ų3549 Ų4914%0.13723%0.23CC..Hα-helixtrans-70.8-27.7-179.7-69.6-70.1000112.2F61 Y63 L69 A70 D297 M300F61-Y66 HydrophobicContact CB-CD1 4.27Å; F61-Y66 HydrophobicContact CB-CD2 4.06Å; F61-Y66 HydrophobicContact CB-CG 3.89Å; F61-Y66 HydrophobicContact CD1-CD1 4.14Å; F61-Y66 HydrophobicContact CD1-CD2 4.21Å; F61-Y66 AromaticContact CD1-CE1 3.82Å; F61-Y66 HydrophobicContact CD1-CE1 3.82Å; F61-Y66 AromaticContact CD1-CE2 3.93Å; F61-Y66 HydrophobicContact CD1-CE2 3.93Å; F61-Y66 HydrophobicContact CD1-CG 4.34Å; F61-Y66 AromaticContact CD1-CZ 3.72Å; F61-Y66 HydrophobicContact CE1-CE1 4.22Å; F61-Y66 HydrophobicContact CG-CD1 4.27Å; F61-Y66 HydrophobicContact CG-CE1 4.4Å; F61-Y66 HydrophobicContact CG-CG 4.35Å; F61-Y66 WeakPolarHBondContact O-CB 3.37Å; Y63-Y66 PolarHBondContact O-N 3.21Å; Y66-L69 PolarHBondContact O-N 3.3Å; Y66-A70 WeakPolarHBondContact O-CB 3.41Å; Y66-A70 PolarHBondContact O-N 3.42Å; Y66-D297 PolarHBondContact OH-OD2 2.91Å; Y66-M300 HydrophobicContact CD1-CE 4.29Å; Y66-M300 HydrophobicContact CE1-CE 4.25Å
67Y85.2Confident84Confident71 Ų7146.7 Ų46.728%0.27822%0.215SC..Hα-helixtrans-66.2-39.5169.9-69.2-68.1000112.3Y63 P64 F65 L69 A70 N71Y63-Y67 VanDerWaalsContact O-CD2 3.27Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.29Å; Y63-Y67 PolarHBondContact O-N 3.03Å; P64-Y67 PolarHBondContact O-N 3.26Å; F65-Y67 VanDerWaalsContact C-N 3.31Å; F65-Y67 PolarHBondContact O-N 2.86Å; Y67-L69 VanDerWaalsContact C-N 3.32Å; Y67-A70 PolarHBondContact O-N 2.98Å; Y67-N71 WeakPolarHBondContact O-CB 3.47Å; Y67-N71 PolarHBondContact O-N 3.47Å
68L82.9Confident84.5Confident3 Ų344 Ų442%0.01620%0.197CC..Hα-helixtrans-65.3-38.1173.5-67.8174.8000111.7P64 F65 N71 L72 V122 I123 E126 V145P64-L68 PolarHBondContact O-N 3.49Å; F65-L68 WeakPolarHBondContact O-CB 3.25Å; F65-L68 PolarHBondContact O-N 2.89Å; L68-N71 PolarHBondContact O-N 2.93Å; L68-L72 PolarHBondContact O-N 2.87Å; L68-V122 HydrophobicContact CD1-CG1 4.07Å; L68-V122 HydrophobicContact CD2-CG1 3.6Å; L68-V122 HydrophobicContact CG-CG1 4.49Å; L68-I123 HydrophobicContact CB-CG1 4.04Å; L68-E126 HydrophobicContact CD1-CB 4.18Å; L68-E126 HydrophobicContact CD1-CG 4.15Å; L68-V145 HydrophobicContact CD2-CG1 4.14Å; L68-V145 HydrophobicContact CG-CG1 4.35Å
69L83.4Confident85.1Confident7 Ų742.4 Ų42.44%0.03719%0.189CC..Hα-helixtrans-67.3-41.2176.2-171.6145.1000112V51 F65 Y66 Y67 N71 L72 A73 Y293 M300V51-L69 HydrophobicContact CG1-CD2 3.45Å; V51-L69 VanDerWaalsContact CG1-CD2 3.45Å; F65-L69 HydrophobicContact CE1-CD1 4.21Å; F65-L69 HydrophobicContact CZ-CD1 3.9Å; F65-L69 PolarHBondContact O-N 3.22Å; Y66-L69 PolarHBondContact O-N 3.3Å; Y67-L69 VanDerWaalsContact C-N 3.32Å; L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.28Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-A73 PolarHBondContact O-N 2.97Å; L69-Y293 HydrophobicContact CD1-CD1 3.62Å; L69-Y293 HydrophobicContact CD1-CD2 4.25Å; L69-Y293 HydrophobicContact CD1-CE1 3.54Å; L69-Y293 HydrophobicContact CD1-CE2 4.17Å; L69-Y293 HydrophobicContact CD1-CG 4Å; L69-Y293 HydrophobicContact CD2-CD2 3.88Å; L69-Y293 HydrophobicContact CD2-CE2 3.8Å; L69-Y293 HydrophobicContact CD2-CG 4.35Å; L69-Y293 HydrophobicContact CG-CD1 4.34Å; L69-Y293 HydrophobicContact CG-CD2 4.22Å; L69-Y293 HydrophobicContact CG-CE1 3.98Å; L69-Y293 HydrophobicContact CG-CE2 3.83Å; L69-Y293 HydrophobicContact CG-CG 4.47Å; L69-M300 HydrophobicContact CD1-CE 4.4Å; L69-M300 HydrophobicContact CD2-CE 3.75Å
70A88.3Confident85.6Confident14 Ų1434 Ų3412%0.11615%0.153CC..Hα-helixtrans-63.9-35.8171.800000112.1V55 Y66 Y67 A73 S74V55-A70 HydrophobicContact CB-CB 4.19Å; V55-A70 HydrophobicContact CG1-CB 4.1Å; V55-A70 HydrophobicContact CG2-CB 4.19Å; Y66-A70 WeakPolarHBondContact O-CB 3.41Å; Y66-A70 PolarHBondContact O-N 3.42Å; Y67-A70 PolarHBondContact O-N 2.98Å; A70-A73 PolarHBondContact O-N 2.95Å; A70-S74 WeakPolarHBondContact O-CB 3.45Å; A70-S74 PolarHBondContact O-N 3.44Å; A70-S74 PolarHBondContact O-OG 3.22Å
71N91.4Very high86.5Confident10 Ų1029.9 Ų29.95%0.05314%0.142CC..Hα-helixtrans-67.1-39.2175.3-160.444.6000112.1Y67 L68 L69 S74 S75 N119 I149 W153Y67-N71 WeakPolarHBondContact O-CB 3.47Å; Y67-N71 PolarHBondContact O-N 3.47Å; L68-N71 PolarHBondContact O-N 2.93Å; L69-N71 VanDerWaalsContact C-N 3.31Å; L69-N71 PolarHBondContact O-N 3.28Å; N71-S74 WeakPolarHBondContact O-CB 3.35Å; N71-S74 PolarHBondContact O-N 2.91Å; N71-S75 PolarHBondContact O-N 3.41Å; N71-S75 PolarHBondContact O-OG 2.89Å; N71-N119 PolarHBondContact ND2-ND2 3.38Å; N71-N119 PolarHBondContact ND2-OD1 2.96Å; N71-N119 PolarHBondContact O-ND2 2.84Å; N71-I149 HydrophobicContact CB-CD1 4.22Å; N71-I149 HydrophobicContact CB-CG1 4.14Å; N71-I149 WeakPolarHBondContact OD1-CG2 3.32Å; N71-W153 PolarHBondContact OD1-NE1 3.26Å
72L89Confident87.3Confident2 Ų229.9 Ų29.91%0.0114%0.142CC..Hα-helixtrans-62.9-45.8172.8179.857.9000111.4L68 L69 S74 S75 D76 N119 L120 I123 Y293L68-L72 PolarHBondContact O-N 2.87Å; L69-L72 PolarHBondContact O-N 3.33Å; L72-S74 PolarHBondContact O-N 3.36Å; L72-S75 WeakPolarHBondContact CA-OG 3.21Å; L72-S75 PolarHBondContact O-N 3.46Å; L72-S75 VanDerWaalsContact O-N 3.1Å; L72-S75 PolarHBondContact O-OG 3.37Å; L72-D76 PolarHBondContact O-N 3.32Å; L72-N119 HydrophobicContact CB-CB 4.28Å; L72-N119 HydrophobicContact CD1-CB 3.98Å; L72-L120 HydrophobicContact CD1-CD2 4.12Å; L72-L120 HydrophobicContact CD1-CG 4.08Å; L72-L120 HydrophobicContact CD2-CD2 3.55Å; L72-L120 HydrophobicContact CD2-CG 4.36Å; L72-I123 HydrophobicContact CB-CD1 4.32Å; L72-I123 HydrophobicContact CD2-CD1 3.74Å; L72-Y293 WeakPolarHBondContact CD2-OH 3.32Å
73A90.9Very high87.8Confident0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-60.1-32.5173.200000112.4N48 V51 I52 L69 A70 D76 F77N48-A73 HydrophobicContact CB-CB 4.29Å; N48-A73 WeakPolarHBondContact CB-O 3.36Å; V51-A73 HydrophobicContact CB-CB 3.99Å; V51-A73 HydrophobicContact CG1-CB 3.73Å; I52-A73 HydrophobicContact CD1-CB 4.44Å; I52-A73 HydrophobicContact CG1-CB 3.95Å; L69-A73 PolarHBondContact O-N 2.97Å; A70-A73 PolarHBondContact O-N 2.95Å; A73-D76 PolarHBondContact O-N 2.96Å; A73-F77 VanDerWaalsContact O-CB 3.31Å; A73-F77 WeakPolarHBondContact O-CB 3.43Å; A73-F77 PolarHBondContact O-N 3.2Å
74S92.9Very high88.6Confident38 Ų3823 Ų2327%0.26612%0.116SC..Hα-helixtrans-68.7-38.8175-56.40000112A70 N71 L72 F77 L78A70-S74 WeakPolarHBondContact O-CB 3.45Å; A70-S74 PolarHBondContact O-N 3.44Å; A70-S74 PolarHBondContact O-OG 3.22Å; N71-S74 WeakPolarHBondContact O-CB 3.35Å; N71-S74 PolarHBondContact O-N 2.91Å; L72-S74 PolarHBondContact O-N 3.36Å; S74-F77 PolarHBondContact O-N 2.86Å; S74-L78 PolarHBondContact O-N 3.42Å
75S93.1Very high89.6Confident0 Ų025.1 Ų25.10%012%0.122CC..Hα-helixtrans-65.9-39172.447.90000112.8N71 L72 L78 A79 N119N71-S75 PolarHBondContact O-N 3.41Å; N71-S75 PolarHBondContact O-OG 2.89Å; L72-S75 WeakPolarHBondContact CA-OG 3.21Å; L72-S75 PolarHBondContact O-N 3.46Å; L72-S75 VanDerWaalsContact O-N 3.1Å; L72-S75 PolarHBondContact O-OG 3.37Å; S75-L78 PolarHBondContact O-N 3.03Å; S75-A79 PolarHBondContact O-N 3.25Å; S75-N119 PolarHBondContact OG-ND2 2.94Å
76D92.1Very high90.2Very high2 Ų223.8 Ų23.81%0.01112%0.117CC..Hα-helixtrans-70.3-33.6175.2-73.6-50.3000112.6I44 L72 A73 A79 G80 S286 N289I44-D76 WeakPolarHBondContact CG2-O 3.27Å; L72-D76 PolarHBondContact O-N 3.32Å; A73-D76 PolarHBondContact O-N 2.96Å; D76-A79 WeakPolarHBondContact O-CB 3.46Å; D76-A79 PolarHBondContact O-N 3.1Å; D76-G80 PolarHBondContact O-N 3.24Å; D76-S286 WeakPolarHBondContact OD1-CA 3.39Å; D76-S286 WeakPolarHBondContact OD1-CB 3.32Å; D76-S286 PolarHBondContact OD1-OG 3.2Å; D76-N289 PolarHBondContact OD2-ND2 3.39Å
77F93.2Very high90.5Very high70 Ų7022.4 Ų22.431%0.30711%0.112SC..Hα-helixtrans-62.4-44.6172-178.5-96.1000110.9L45 N48 S49 A73 S74 A79 G80 I81L45-F77 HydrophobicContact CB-CD2 4.41Å; L45-F77 HydrophobicContact CB-CE2 4.18Å; L45-F77 HydrophobicContact CD2-CD2 3.61Å; L45-F77 HydrophobicContact CD2-CE2 3.51Å; L45-F77 HydrophobicContact CD2-CG 4.18Å; L45-F77 HydrophobicContact CD2-CZ 4.02Å; L45-F77 WeakPolarHBondContact CD2-O 3.24Å; L45-F77 HydrophobicContact CG-CE2 4.45Å; N48-F77 HydrophobicContact CB-CB 4.26Å; S49-F77 WeakPolarHBondContact OG-CD2 3.31Å; S49-F77 WeakPolarHBondContact OG-CE2 3.42Å; A73-F77 VanDerWaalsContact O-CB 3.31Å; A73-F77 WeakPolarHBondContact O-CB 3.43Å; A73-F77 PolarHBondContact O-N 3.2Å; S74-F77 PolarHBondContact O-N 2.86Å; F77-A79 VanDerWaalsContact C-N 3.34Å; F77-A79 PolarHBondContact O-N 2.92Å; F77-G80 PolarHBondContact O-N 2.79Å; F77-I81 HydrophobicContact CD1-CD1 4.06Å; F77-I81 HydrophobicContact CE1-CD1 3.59Å; F77-I81 HydrophobicContact CE1-CG1 4.33Å; F77-I81 HydrophobicContact CZ-CD1 4.26Å; F77-I81 PolarHBondContact O-N 3.25Å; F77-I81 VanDerWaalsContact O-N 3.07Å
78L94.4Very high90.6Very high35 Ų3525.4 Ų25.418%0.18313%0.127CC..Hα-helixtrans-62.1-40.7172.6-178.964.1000111.8S74 S75 G80 I81 A82 L108 V111 W153S74-L78 PolarHBondContact O-N 3.42Å; S75-L78 PolarHBondContact O-N 3.03Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 3.5Å; L78-I81 PolarHBondContact O-N 2.87Å; L78-A82 WeakPolarHBondContact O-CB 3.17Å; L78-A82 PolarHBondContact O-N 3.3Å; L78-L108 HydrophobicContact CD1-CD2 4.19Å; L78-V111 HydrophobicContact CD2-CG1 4.01Å; L78-W153 HydrophobicContact CB-CH2 4.47Å; L78-W153 HydrophobicContact CD2-CH2 4.03Å; L78-W153 HydrophobicContact CD2-CZ3 3.63Å
79A92.1Very high90.9Very high3 Ų326.4 Ų26.43%0.02513%0.132CC..Hα-helixtrans-59.2-41.917400000111.1S75 D76 F77 I81 A82 Y83S75-A79 PolarHBondContact O-N 3.25Å; D76-A79 WeakPolarHBondContact O-CB 3.46Å; D76-A79 PolarHBondContact O-N 3.1Å; F77-A79 VanDerWaalsContact C-N 3.34Å; F77-A79 PolarHBondContact O-N 2.92Å; A79-I81 PolarHBondContact O-N 3.02Å; A79-A82 WeakPolarHBondContact O-CB 3.28Å; A79-A82 PolarHBondContact O-N 3.08Å; A79-Y83 HydrophobicContact CB-CD2 4.39Å; A79-Y83 HydrophobicContact CB-CE2 3.88Å; A79-Y83 WeakPolarHBondContact O-CB 3.07Å; A79-Y83 WeakPolarHBondContact O-CD2 3.36Å; A79-Y83 PolarHBondContact O-N 2.04Å
80G92.2Very high91Very high0 Ų027.8 Ų27.80%014%0.141CC..Hα-helixtrans-55.4-48.6172.400000112.5D76 F77 L78 A82 Y83 V84D76-G80 PolarHBondContact O-N 3.24Å; F77-G80 PolarHBondContact O-N 2.79Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 3.5Å; G80-A82 PolarHBondContact O-N 2.63Å; G80-Y83 PolarHBondContact O-N 2.71Å; G80-V84 WeakPolarHBondContact O-CG2 3.47Å; G80-V84 PolarHBondContact O-N 3.4Å
81I93.1Very high90.9Very high76 Ų7627.3 Ų27.339%0.3914%0.138SC..Hα-helixtrans-60.6-46.1175.6-63.8174.9000110.7L45 F77 L78 A79 Y83 V84 Y85L45-I81 HydrophobicContact CD2-CG1 3.83Å; F77-I81 HydrophobicContact CD1-CD1 4.06Å; F77-I81 HydrophobicContact CE1-CD1 3.59Å; F77-I81 HydrophobicContact CE1-CG1 4.33Å; F77-I81 HydrophobicContact CZ-CD1 4.26Å; F77-I81 PolarHBondContact O-N 3.25Å; F77-I81 VanDerWaalsContact O-N 3.07Å; L78-I81 PolarHBondContact O-N 2.87Å; A79-I81 PolarHBondContact O-N 3.02Å; I81-Y83 VanDerWaalsContact C-N 3.32Å; I81-Y83 PolarHBondContact O-N 3.4Å; I81-V84 PolarHBondContact O-N 3.3Å; I81-Y85 PolarHBondContact O-N 3.06Å
82A92.9Very high90.5Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-61.1-40.5179.100000111.8L78 A79 G80 Y85 L86 L108 L109L78-A82 WeakPolarHBondContact O-CB 3.17Å; L78-A82 PolarHBondContact O-N 3.3Å; A79-A82 WeakPolarHBondContact O-CB 3.28Å; A79-A82 PolarHBondContact O-N 3.08Å; G80-A82 PolarHBondContact O-N 2.63Å; A82-Y85 PolarHBondContact O-N 3.49Å; A82-L86 WeakPolarHBondContact O-CB 3.43Å; A82-L86 PolarHBondContact O-N 3.36Å; A82-L108 HydrophobicContact CB-CB 3.74Å; A82-L109 HydrophobicContact CB-CD2 3.72Å; A82-L109 HydrophobicContact CB-CG 4.24Å
83Y91.1Very high90.4Very high11 Ų1135.5 Ų35.54%0.04318%0.183CC..Hα-helixtrans-69.8-39.4176.5-65-40.8000112.6C41 I44 A79 G80 I81 Y85 L86 M87 L109 L279 A282 V283C41-Y83 WeakPolarHBondContact SG-CB 3.08Å; I44-Y83 HydrophobicContact CD1-CD2 4.39Å; A79-Y83 HydrophobicContact CB-CD2 4.39Å; A79-Y83 HydrophobicContact CB-CE2 3.88Å; A79-Y83 WeakPolarHBondContact O-CB 3.07Å; A79-Y83 WeakPolarHBondContact O-CD2 3.36Å; A79-Y83 PolarHBondContact O-N 2.04Å; G80-Y83 PolarHBondContact O-N 2.71Å; I81-Y83 VanDerWaalsContact C-N 3.32Å; I81-Y83 PolarHBondContact O-N 3.4Å; Y83-Y85 VanDerWaalsContact C-N 3.31Å; Y83-Y85 PolarHBondContact O-N 2.95Å; Y83-L86 HydrophobicContact CD1-CD2 4.23Å; Y83-L86 WeakPolarHBondContact O-CB 3.27Å; Y83-L86 PolarHBondContact O-N 2.93Å; Y83-M87 VanDerWaalsContact O-CG 3.25Å; Y83-M87 WeakPolarHBondContact O-CG 3.37Å; Y83-M87 PolarHBondContact O-N 3.15Å; Y83-L109 HydrophobicContact CD1-CD2 3.5Å; Y83-L109 VanDerWaalsContact CD1-CD2 3.5Å; Y83-L109 HydrophobicContact CE1-CD2 3.53Å; Y83-L279 HydrophobicContact CD1-CD1 4.47Å; Y83-L279 HydrophobicContact CE1-CD1 4.44Å; Y83-A282 WeakPolarHBondContact OH-CB 3.44Å; Y83-V283 HydrophobicContact CD2-CG2 4.35Å; Y83-V283 HydrophobicContact CE2-CG2 4.38Å
84V91.3Very high90.2Very high40 Ų4035.7 Ų35.724%0.24218%0.184CC..Hα-helixtrans-56.4-50.8172.1172.20000109.7C41 L45 G80 I81 L86 M87 F88C41-V84 HydrophobicContact CB-CG2 3.46Å; C41-V84 VanDerWaalsContact CB-CG2 3.46Å; L45-V84 HydrophobicContact CD1-CG2 4.22Å; G80-V84 WeakPolarHBondContact O-CG2 3.47Å; G80-V84 PolarHBondContact O-N 3.4Å; I81-V84 PolarHBondContact O-N 3.3Å; V84-L86 VanDerWaalsContact C-N 3.29Å; V84-L86 PolarHBondContact O-N 3.13Å; V84-M87 PolarHBondContact O-N 3.19Å; V84-M87 VanDerWaalsContact O-N 3.16Å; V84-F88 HydrophobicContact CG1-CD2 3.73Å; V84-F88 HydrophobicContact CG1-CE2 3.64Å; V84-F88 VanDerWaalsContact O-CD2 3.25Å; V84-F88 WeakPolarHBondContact O-CD2 3.31Å; V84-F88 PolarHBondContact O-N 3.41Å
85Y92.2Very high90Very high64 Ų6435.1 Ų35.125%0.25118%0.18SC..Hα-helixtrans-62.1-37.5178.7-171.6-112.7000112.1I81 A82 Y83 N89 F104 R105I81-Y85 PolarHBondContact O-N 3.06Å; A82-Y85 PolarHBondContact O-N 3.49Å; Y83-Y85 VanDerWaalsContact C-N 3.31Å; Y83-Y85 PolarHBondContact O-N 2.95Å; Y85-N89 VanDerWaalsContact CD2-ND2 3.32Å; Y85-N89 WeakPolarHBondContact CD2-ND2 3.36Å; Y85-N89 WeakPolarHBondContact CE2-ND2 3.31Å; Y85-N89 WeakPolarHBondContact O-CB 3.31Å; Y85-N89 PolarHBondContact O-N 3.2Å; Y85-N89 PolarHBondContact O-ND2 3.32Å; Y85-F104 HydrophobicContact CE1-CD1 4.05Å; Y85-R105 HydrophobicContact CD1-CB 3.84Å; Y85-R105 HydrophobicContact CD1-CG 3.65Å; Y85-R105 HydrophobicContact CE1-CB 3.53Å; Y85-R105 HydrophobicContact CE1-CG 3.79Å
86L89.8Confident89.8Confident19 Ų1939.8 Ų39.810%0.09921%0.209CC..Hα-helixtrans-61.8-44.8172.9171.667.9000112.4A82 Y83 V84 N89 T90 L109 L279A82-L86 WeakPolarHBondContact O-CB 3.43Å; A82-L86 PolarHBondContact O-N 3.36Å; Y83-L86 HydrophobicContact CD1-CD2 4.23Å; Y83-L86 WeakPolarHBondContact O-CB 3.27Å; Y83-L86 PolarHBondContact O-N 2.93Å; V84-L86 VanDerWaalsContact C-N 3.29Å; V84-L86 PolarHBondContact O-N 3.13Å; L86-N89 CarbonylContact O-C 3.18Å; L86-N89 PolarHBondContact O-N 2.75Å; L86-T90 WeakPolarHBondContact O-CB 3.48Å; L86-T90 PolarHBondContact O-N 2.75Å; L86-T90 VanDerWaalsContact O-N 3.13Å; L86-T90 PolarHBondContact O-OG1 2.92Å; L86-L109 HydrophobicContact CD1-CD1 4.34Å; L86-L109 HydrophobicContact CD2-CD1 4.14Å; L86-L109 HydrophobicContact CD2-CD2 4.4Å; L86-L279 HydrophobicContact CD2-CD1 3.72Å
87M88.5Confident89.8Confident5 Ų540 Ų403%0.02521%0.21CC..Hα-helixtrans-65.6-44-175.3-70.5-61.9164.600111.4V33 Q34 Y83 V84 N89 L279V33-M87 HydrophobicContact CG1-SD 4.13Å; Q34-M87 PolarHBondContact NE2-O 3.24Å; Y83-M87 VanDerWaalsContact O-CG 3.25Å; Y83-M87 WeakPolarHBondContact O-CG 3.37Å; Y83-M87 PolarHBondContact O-N 3.15Å; V84-M87 PolarHBondContact O-N 3.19Å; V84-M87 VanDerWaalsContact O-N 3.16Å; M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 2.99Å; M87-L279 HydrophobicContact CE-CD2 3.78Å; M87-L279 HydrophobicContact CE-CG 4.33Å
88F88.2Confident89.7Confident135 Ų13540.1 Ų40.159%0.59222%0.216SC*.Hα-helixtrans-69.7-24.3177.6-74.3-66000113.6V84V84-F88 HydrophobicContact CG1-CD2 3.73Å; V84-F88 HydrophobicContact CG1-CE2 3.64Å; V84-F88 VanDerWaalsContact O-CD2 3.25Å; V84-F88 WeakPolarHBondContact O-CD2 3.31Å; V84-F88 PolarHBondContact O-N 3.41Å
89N89.6Confident89.6Confident23 Ų2339.1 Ų39.112%0.12321%0.211CC..THydrogen-bonded Turntrans-108.525.3-179.6-66.1-70.7000113.5Y85 L86 M87 S94 L97Y85-N89 VanDerWaalsContact CD2-ND2 3.32Å; Y85-N89 WeakPolarHBondContact CD2-ND2 3.36Å; Y85-N89 WeakPolarHBondContact CE2-ND2 3.31Å; Y85-N89 WeakPolarHBondContact O-CB 3.31Å; Y85-N89 PolarHBondContact O-N 3.2Å; Y85-N89 PolarHBondContact O-ND2 3.32Å; L86-N89 CarbonylContact O-C 3.18Å; L86-N89 PolarHBondContact O-N 2.75Å; M87-N89 VanDerWaalsContact C-N 3.29Å; M87-N89 PolarHBondContact O-N 2.99Å; N89-S94 WeakPolarHBondContact O-CB 3.28Å; N89-L97 HydrophobicContact CB-CD1 4.19Å; N89-L97 HydrophobicContact CB-CD2 4.43Å
90T85.7Confident89.6Confident37 Ų3749.2 Ų49.223%0.22725%0.248CC..SBendtrans-103.8157.6175.2-75.50000110.5L30 L86L30-T90 HydrophobicContact CD1-CG2 3.89Å; L86-T90 WeakPolarHBondContact O-CB 3.48Å; L86-T90 PolarHBondContact O-N 2.75Å; L86-T90 VanDerWaalsContact O-N 3.13Å; L86-T90 PolarHBondContact O-OG1 2.92Å
91G84.3Confident89.6Confident4 Ų453 Ų534%0.04127%0.266CS..G310 helixtrans81-139.8-179.200000111.3Q23 V93 S94 P95Q23-G91 VanDerWaalsContact OE1-CA 3.24Å; Q23-G91 PolarHBondContact OE1-O 2.72Å; G91-V93 PolarHBondContact O-N 3.36Å; G91-V93 VanDerWaalsContact O-N 3.11Å; G91-S94 WeakPolarHBondContact O-CB 3.31Å; G91-S94 PolarHBondContact O-N 3.39Å; G91-P95 WeakPolarHBondContact O-CD 3.31Å
92D83.6Confident89.6Confident124 Ų12449.6 Ų49.666%0.66325%0.248SC*.G310 helixtrans-60.7-23.3-175.1-55.6-33.5000113.6P95D92-P95 WeakPolarHBondContact O-CD 3.49Å
93V87.1Confident89.6Confident60 Ų6050.8 Ų50.836%0.36425%0.254SS..G310 helixtrans-73.8-33.2175.9-176.70000111.5G91 T96 L97G91-V93 PolarHBondContact O-N 3.36Å; G91-V93 VanDerWaalsContact O-N 3.11Å; V93-T96 PolarHBondContact O-N 3.49Å; V93-T96 PolarHBondContact O-OG1 2.87Å; V93-L97 PolarHBondContact O-N 3.5Å
94S87.6Confident89.7Confident3 Ų356.2 Ų56.22%0.02128%0.278CS..G310 helixtrans-61.6-38.9-172.3-1780000114.7Y16 N89 G91 T96Y16-S94 PolarHBondContact OH-OG 3.31Å; N89-S94 WeakPolarHBondContact O-CB 3.28Å; G91-S94 WeakPolarHBondContact O-CB 3.31Å; G91-S94 PolarHBondContact O-N 3.39Å; S94-T96 VanDerWaalsContact C-N 3.28Å
95P87.9Confident89.8Confident26 Ų2654.9 Ų54.917%0.16927%0.268CS..G310 helixtrans-67.7-24.5174.2-23.634.8000114.3Q13 G91 D92 L97Q13-P95 HydrophobicContact CB-CB 3.92Å; Q13-P95 HydrophobicContact CG-CB 4.33Å; Q13-P95 PolarHBondContact N-O 2.92Å; G91-P95 WeakPolarHBondContact O-CD 3.31Å; D92-P95 WeakPolarHBondContact O-CD 3.49Å; P95-L97 VanDerWaalsContact C-N 3.33Å
96T89.4Confident89.7Confident99 Ų9953.7 Ų53.761%0.60727%0.265SS*.G310 helixtrans-80.8-13.7-178.969.20000113.6V93 S94V93-T96 PolarHBondContact O-N 3.49Å; V93-T96 PolarHBondContact O-OG1 2.87Å; S94-T96 VanDerWaalsContact C-N 3.28Å
97L91Very high89.8Confident7 Ų753.2 Ų53.24%0.03727%0.265CS..SBendtrans-62.1148.9178-64.7171.2000111.8M12 N89 V93 P95 E101M12-L97 WeakPolarHBondContact CB-O 3.31Å; M12-L97 HydrophobicContact CG-CB 4.13Å; M12-L97 WeakPolarHBondContact CG-O 3.49Å; M12-L97 PolarHBondContact N-O 3.47Å; N89-L97 HydrophobicContact CB-CD1 4.19Å; N89-L97 HydrophobicContact CB-CD2 4.43Å; V93-L97 PolarHBondContact O-N 3.5Å; P95-L97 VanDerWaalsContact C-N 3.33Å; L97-E101 HydrophobicContact CB-CB 4.42Å; L97-E101 HydrophobicContact CD2-CB 4.12Å
98T92.5Very high90.1Very high71 Ų7154.5 Ų54.544%0.43627%0.272SS..  trans-73.7158.9164.866.10000111R100 E101 Y102T98-R100 PolarHBondContact O-N 3.26Å; T98-E101 WeakPolarHBondContact CB-OE2 3.47Å; T98-E101 WeakPolarHBondContact CG2-OE2 3.39Å; T98-E101 PolarHBondContact N-OE2 3.44Å; T98-E101 PolarHBondContact O-N 2.85Å; T98-E101 VanDerWaalsContact OG1-CD 3.23Å; T98-E101 VanDerWaalsContact OG1-CG 3.26Å; T98-E101 WeakPolarHBondContact OG1-CG 3.3Å; T98-E101 PolarHBondContact OG1-N 3.04Å; T98-E101 PolarHBondContact OG1-OE2 3.49Å; T98-Y102 PolarHBondContact O-N 3.25Å
99I91.9Very high90.2Very high14 Ų1449 Ų497%0.07225%0.249CC..Hα-helixtrans-54.7-39.4175.4-64.3177.3000111.4H7 Y8 F15 Y102 F103 I170 I182H7-I99 WeakPolarHBondContact O-CD1 3.41Å; Y8-I99 WeakPolarHBondContact O-CD1 3.49Å; F15-I99 HydrophobicContact CE2-CD1 3.75Å; F15-I99 HydrophobicContact CE2-CG1 4.05Å; F15-I99 HydrophobicContact CZ-CD1 4.07Å; I99-Y102 PolarHBondContact O-N 3.37Å; I99-F103 HydrophobicContact CG2-CD2 3.68Å; I99-F103 HydrophobicContact CG2-CE2 3.45Å; I99-F103 VanDerWaalsContact CG2-CE2 3.45Å; I99-F103 HydrophobicContact CG2-CZ 4.49Å; I99-F103 VanDerWaalsContact O-CD2 3.29Å; I99-F103 WeakPolarHBondContact O-CD2 3.45Å; I99-F103 PolarHBondContact O-N 3.02Å; I99-I170 HydrophobicContact CG2-CD1 3.84Å; I99-I182 HydrophobicContact CG2-CD1 4.26Å
100R91.6Very high90.2Very high216 Ų21648.6 Ų48.682%0.81525%0.246SC*.Hα-helixtrans-67-45.4-179.7-65.6-176.9-176.2-179.11.9112T98 Y102 F103 F104T98-R100 PolarHBondContact O-N 3.26Å; R100-Y102 VanDerWaalsContact C-N 3.28Å; R100-Y102 PolarHBondContact O-N 3.42Å; R100-F103 PolarHBondContact O-N 3.44Å; R100-F104 WeakPolarHBondContact O-CB 3.05Å; R100-F104 PolarHBondContact O-N 3.43Å
101E92.5Very high90.6Very high80 Ų8047.7 Ų47.737%0.37424%0.24SC..Hα-helixtrans-64.7-36177.3-69.9161.8143.600111.4L97 T98 F104 R105L97-E101 HydrophobicContact CB-CB 4.42Å; L97-E101 HydrophobicContact CD2-CB 4.12Å; T98-E101 WeakPolarHBondContact CB-OE2 3.47Å; T98-E101 WeakPolarHBondContact CG2-OE2 3.39Å; T98-E101 PolarHBondContact N-OE2 3.44Å; T98-E101 PolarHBondContact O-N 2.85Å; T98-E101 VanDerWaalsContact OG1-CD 3.23Å; T98-E101 VanDerWaalsContact OG1-CG 3.26Å; T98-E101 WeakPolarHBondContact OG1-CG 3.3Å; T98-E101 PolarHBondContact OG1-N 3.04Å; T98-E101 PolarHBondContact OG1-OE2 3.49Å; E101-F104 PolarHBondContact O-N 3.18Å; E101-R105 WeakPolarHBondContact O-CB 3.43Å; E101-R105 PolarHBondContact O-N 3.22Å
102Y92.4Very high91Very high4 Ų447.6 Ų47.62%0.01624%0.239CC..Hα-helixtrans-65.7-46.9174.1-171.7-78.1000111.8M12 Y16 T98 I99 R100 F104 R105 Q106 P181 I182 F183M12-Y102 HydrophobicContact CE-CD1 4.08Å; M12-Y102 HydrophobicContact CE-CD2 3.16Å; M12-Y102 HydrophobicContact CE-CE1 4.26Å; M12-Y102 HydrophobicContact CE-CE2 3.35Å; M12-Y102 HydrophobicContact CE-CG 3.54Å; M12-Y102 HydrophobicContact CG-CD2 4.11Å; M12-Y102 HydrophobicContact CG-CG 4.31Å; M12-Y102 HydrophobicContact SD-CD1 4.36Å; M12-Y102 HydrophobicContact SD-CD2 3.8Å; M12-Y102 HydrophobicContact SD-CG 3.67Å; Y16-Y102 HydrophobicContact CE2-CE2 4.46Å; T98-Y102 PolarHBondContact O-N 3.25Å; I99-Y102 PolarHBondContact O-N 3.37Å; R100-Y102 VanDerWaalsContact C-N 3.28Å; R100-Y102 PolarHBondContact O-N 3.42Å; Y102-F104 VanDerWaalsContact C-N 3.3Å; Y102-F104 PolarHBondContact O-N 3.35Å; Y102-R105 VanDerWaalsContact CZ-NH2 3.33Å; Y102-R105 WeakPolarHBondContact O-CB 3.39Å; Y102-R105 PolarHBondContact O-N 2.79Å; Y102-Q106 HydrophobicContact CE1-CB 4.28Å; Y102-Q106 WeakPolarHBondContact O-CB 3.44Å; Y102-Q106 PolarHBondContact O-N 2.91Å; Y102-P181 WeakPolarHBondContact OH-CD 3.02Å; Y102-I182 HydrophobicContact CD1-CD1 3.31Å; Y102-I182 HydrophobicContact CD1-CG1 3.94Å; Y102-I182 HydrophobicContact CE1-CD1 3.9Å; Y102-I182 HydrophobicContact CE1-CG1 4Å; Y102-I182 HydrophobicContact CG-CD1 4.04Å; Y102-F183 HydrophobicContact CD1-CE2 4.36Å; Y102-F183 HydrophobicContact CE1-CD2 4.18Å; Y102-F183 AromaticContact CE1-CE2 3.89Å; Y102-F183 HydrophobicContact CE1-CE2 3.89Å
103F93.6Very high91.1Very high25 Ų2542.3 Ų42.311%0.1121%0.211CC..Hα-helixtrans-60.8-40174.9-82.4-53.3000112I99 R100 G107 P163 N168 I170 I182 F183I99-F103 HydrophobicContact CG2-CD2 3.68Å; I99-F103 HydrophobicContact CG2-CE2 3.45Å; I99-F103 VanDerWaalsContact CG2-CE2 3.45Å; I99-F103 HydrophobicContact CG2-CZ 4.49Å; I99-F103 VanDerWaalsContact O-CD2 3.29Å; I99-F103 WeakPolarHBondContact O-CD2 3.45Å; I99-F103 PolarHBondContact O-N 3.02Å; R100-F103 PolarHBondContact O-N 3.44Å; F103-G107 WeakPolarHBondContact O-CA 3.34Å; F103-G107 PolarHBondContact O-N 3.27Å; F103-P163 HydrophobicContact CD1-CB 4.28Å; F103-P163 HydrophobicContact CE1-CB 3.89Å; F103-N168 HydrophobicContact CE1-CB 4.32Å; F103-N168 HydrophobicContact CZ-CB 3.85Å; F103-I170 HydrophobicContact CE2-CD1 3.82Å; F103-I170 HydrophobicContact CZ-CD1 3.96Å; F103-I182 HydrophobicContact CD1-CD1 3.89Å; F103-I182 HydrophobicContact CD1-CG1 4.47Å; F103-I182 HydrophobicContact CD2-CD1 4.06Å; F103-I182 HydrophobicContact CE1-CD1 3.61Å; F103-I182 HydrophobicContact CE1-CG1 3.83Å; F103-I182 HydrophobicContact CE2-CD1 3.81Å; F103-I182 HydrophobicContact CG-CD1 4.09Å; F103-I182 HydrophobicContact CZ-CD1 3.56Å; F103-I182 HydrophobicContact CZ-CG1 3.88Å; F103-F183 AromaticContact CD1-CE2 3.96Å; F103-F183 HydrophobicContact CD1-CE2 3.96Å; F103-F183 HydrophobicContact CD1-CZ 4.26Å; F103-F183 HydrophobicContact CE1-CD2 4.46Å; F103-F183 AromaticContact CE1-CE2 3.93Å; F103-F183 HydrophobicContact CE1-CE2 3.93Å; F103-F183 HydrophobicContact CE1-CZ 4.41Å
104F93.2Very high91.3Very high125 Ų12540.1 Ų40.155%0.54820%0.198SC..Hα-helixtrans-63.6-46.2175.4-174.4-105000111.4Y85 R100 E101 Y102 Q106 L108Y85-F104 HydrophobicContact CE1-CD1 4.05Å; R100-F104 WeakPolarHBondContact O-CB 3.05Å; R100-F104 PolarHBondContact O-N 3.43Å; E101-F104 PolarHBondContact O-N 3.18Å; Y102-F104 VanDerWaalsContact C-N 3.3Å; Y102-F104 PolarHBondContact O-N 3.35Å; F104-Q106 PolarHBondContact O-N 3.19Å; F104-L108 HydrophobicContact CD1-CD1 3.98Å; F104-L108 HydrophobicContact CE1-CD1 3.51Å; F104-L108 HydrophobicContact CE1-CG 4.28Å; F104-L108 HydrophobicContact CE2-CG 4.47Å; F104-L108 HydrophobicContact CZ-CD1 3.81Å; F104-L108 HydrophobicContact CZ-CD2 4.38Å; F104-L108 HydrophobicContact CZ-CG 4.22Å; F104-L108 WeakPolarHBondContact O-CG 3.39Å; F104-L108 PolarHBondContact O-N 3.07Å
105R92.8Very high91.5Very high11 Ų1140 Ų404%0.04220%0.197CC..Hα-helixtrans-56.9-50.8176.5-168.5174.661.565.38.9111.8Y85 E101 Y102Y85-R105 HydrophobicContact CD1-CB 3.84Å; Y85-R105 HydrophobicContact CD1-CG 3.65Å; Y85-R105 HydrophobicContact CE1-CB 3.53Å; Y85-R105 HydrophobicContact CE1-CG 3.79Å; E101-R105 WeakPolarHBondContact O-CB 3.43Å; E101-R105 PolarHBondContact O-N 3.22Å; Y102-R105 VanDerWaalsContact CZ-NH2 3.33Å; Y102-R105 WeakPolarHBondContact O-CB 3.39Å; Y102-R105 PolarHBondContact O-N 2.79Å
106Q90.9Very high91.6Very high39 Ų3938.9 Ų38.918%0.18219%0.19CC..Hα-helixtrans-73.6-40.7-176.5-169.157.249.400111.3Y102 F104 L108 L109 D110 F183Y102-Q106 HydrophobicContact CE1-CB 4.28Å; Y102-Q106 WeakPolarHBondContact O-CB 3.44Å; Y102-Q106 PolarHBondContact O-N 2.91Å; F104-Q106 PolarHBondContact O-N 3.19Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.22Å; Q106-L109 WeakPolarHBondContact O-CB 3.32Å; Q106-L109 PolarHBondContact O-N 2.92Å; Q106-L109 VanDerWaalsContact O-N 3.09Å; Q106-D110 PolarHBondContact NE2-OD1 3.09Å; Q106-D110 PolarHBondContact O-N 3.36Å; Q106-F183 HydrophobicContact CB-CE2 4.04Å; Q106-F183 HydrophobicContact CB-CZ 3.8Å; Q106-F183 HydrophobicContact CG-CE1 3.89Å; Q106-F183 HydrophobicContact CG-CE2 3.74Å; Q106-F183 HydrophobicContact CG-CZ 3.29Å
107G92.7Very high91.5Very high10 Ų1034.2 Ų34.210%0.10316%0.162CC..Hα-helixtrans-58.5-42.2175.700000112.3F103 L109 D110 V111F103-G107 WeakPolarHBondContact O-CA 3.34Å; F103-G107 PolarHBondContact O-N 3.27Å; G107-L109 VanDerWaalsContact C-N 3.3Å; G107-L109 PolarHBondContact O-N 2.92Å; G107-D110 PolarHBondContact O-N 3.04Å; G107-V111 WeakPolarHBondContact O-CB 3.46Å; G107-V111 WeakPolarHBondContact O-CG2 3.38Å; G107-V111 PolarHBondContact O-N 3.39Å
108L93.2Very high91.5Very high31 Ų3135.1 Ų35.116%0.16217%0.17CC..Hα-helixtrans-58.6-41.2174.5-76.4175.6000112.6L78 A82 F104 Q106 S112L78-L108 HydrophobicContact CD1-CD2 4.19Å; A82-L108 HydrophobicContact CB-CB 3.74Å; F104-L108 HydrophobicContact CD1-CD1 3.98Å; F104-L108 HydrophobicContact CE1-CD1 3.51Å; F104-L108 HydrophobicContact CE1-CG 4.28Å; F104-L108 HydrophobicContact CE2-CG 4.47Å; F104-L108 HydrophobicContact CZ-CD1 3.81Å; F104-L108 HydrophobicContact CZ-CD2 4.38Å; F104-L108 HydrophobicContact CZ-CG 4.22Å; F104-L108 WeakPolarHBondContact O-CG 3.39Å; F104-L108 PolarHBondContact O-N 3.07Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.22Å; L108-S112 VanDerWaalsContact O-CB 3.3Å; L108-S112 WeakPolarHBondContact O-CB 3.29Å; L108-S112 PolarHBondContact O-N 2.81Å; L108-S112 PolarHBondContact O-OG 3.4Å
109L90.3Very high91.3Very high21 Ų2131.8 Ų31.811%0.1115%0.149CC..Hα-helixtrans-65.1-47.3176-63.6168.7000110.6A82 Y83 L86 Q106 G107 S112 L113A82-L109 HydrophobicContact CB-CD2 3.72Å; A82-L109 HydrophobicContact CB-CG 4.24Å; Y83-L109 HydrophobicContact CD1-CD2 3.5Å; Y83-L109 VanDerWaalsContact CD1-CD2 3.5Å; Y83-L109 HydrophobicContact CE1-CD2 3.53Å; L86-L109 HydrophobicContact CD1-CD1 4.34Å; L86-L109 HydrophobicContact CD2-CD1 4.14Å; L86-L109 HydrophobicContact CD2-CD2 4.4Å; Q106-L109 WeakPolarHBondContact O-CB 3.32Å; Q106-L109 PolarHBondContact O-N 2.92Å; Q106-L109 VanDerWaalsContact O-N 3.09Å; G107-L109 VanDerWaalsContact C-N 3.3Å; G107-L109 PolarHBondContact O-N 2.92Å; L109-S112 PolarHBondContact O-N 3.49Å; L109-S112 PolarHBondContact O-OG 3.05Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 PolarHBondContact O-N 3.35Å
110D90.2Very high91Very high14 Ų1431.2 Ų31.28%0.07515%0.147CC..Hα-helixtrans-66-41.2-177.2-63-13.1000112Q106 G107 S114 W191Q106-D110 PolarHBondContact NE2-OD1 3.09Å; Q106-D110 PolarHBondContact O-N 3.36Å; G107-D110 PolarHBondContact O-N 3.04Å; D110-S114 WeakPolarHBondContact O-CB 3.06Å; D110-S114 PolarHBondContact O-N 2.99Å; D110-S114 PolarHBondContact O-OG 3.3Å; D110-W191 HydrophobicContact CB-CH2 3.72Å; D110-W191 HydrophobicContact CB-CZ2 3.94Å; D110-W191 WeakPolarHBondContact O-CH2 3.42Å
111V93.8Very high90.7Very high17 Ų1723 Ų2310%0.10312%0.119CC..Hα-helixtrans-63.1-48.4174173.30000110.4L78 G107 L113 S114 A115 I157L78-V111 HydrophobicContact CD2-CG1 4.01Å; G107-V111 WeakPolarHBondContact O-CB 3.46Å; G107-V111 WeakPolarHBondContact O-CG2 3.38Å; G107-V111 PolarHBondContact O-N 3.39Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.16Å; V111-S114 PolarHBondContact O-N 2.03Å; V111-A115 VanDerWaalsContact O-CB 3.28Å; V111-A115 WeakPolarHBondContact O-CB 3.41Å; V111-A115 PolarHBondContact O-N 3.38Å; V111-I157 HydrophobicContact CG1-CG1 4Å
112S92.4Very high90.4Very high2 Ų220.2 Ų20.21%0.01411%0.107CC..Hα-helixtrans-62.2-41.3-178.772.20000112L108 L109 S116L108-S112 VanDerWaalsContact O-CB 3.3Å; L108-S112 WeakPolarHBondContact O-CB 3.29Å; L108-S112 PolarHBondContact O-N 2.81Å; L108-S112 PolarHBondContact O-OG 3.4Å; L109-S112 PolarHBondContact O-N 3.49Å; L109-S112 PolarHBondContact O-OG 3.05Å; S112-S116 WeakPolarHBondContact O-CB 3.4Å; S112-S116 PolarHBondContact O-N 2.96Å
113L87.4Confident90Very high14 Ų1420.6 Ų20.67%0.07311%0.109CC..Hα-helixtrans-64.1-49.9175.917756.4000111.4L109 V111 A115 S116 L117 W191 W252L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 PolarHBondContact O-N 3.35Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.16Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.28Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-L117 HydrophobicContact CD1-CD1 3.8Å; L113-L117 HydrophobicContact CD1-CG 4.1Å; L113-L117 HydrophobicContact CG-CD1 3.88Å; L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.33Å; L113-W191 HydrophobicContact CD2-CZ2 4.47Å; L113-W252 HydrophobicContact CD1-CD2 3.89Å; L113-W252 HydrophobicContact CD1-CE3 3.7Å; L113-W252 HydrophobicContact CD1-CH2 3.45Å; L113-W252 VanDerWaalsContact CD1-CH2 3.45Å; L113-W252 HydrophobicContact CD1-CZ2 3.64Å; L113-W252 HydrophobicContact CD1-CZ3 3.49Å; L113-W252 VanDerWaalsContact CD1-CZ3 3.49Å; L113-W252 HydrophobicContact CD2-CE3 4.31Å; L113-W252 HydrophobicContact CD2-CH2 4.26Å; L113-W252 HydrophobicContact CD2-CZ3 3.77Å; L113-W252 HydrophobicContact CG-CH2 4.32Å; L113-W252 HydrophobicContact CG-CZ3 4.23Å
114S90.5Very high89.4Confident13 Ų1319.4 Ų19.49%0.09110%0.104CC..Hα-helixtrans-59.6-42.8178.4-67.10000112.1D110 V111 L117 A118 W191D110-S114 WeakPolarHBondContact O-CB 3.06Å; D110-S114 PolarHBondContact O-N 2.99Å; D110-S114 PolarHBondContact O-OG 3.3Å; V111-S114 PolarHBondContact O-N 2.03Å; S114-L117 PolarHBondContact O-N 3.38Å; S114-A118 VanDerWaalsContact O-CB 3.31Å; S114-A118 WeakPolarHBondContact O-CB 3.42Å; S114-A118 PolarHBondContact O-N 2.9Å; S114-W191 WeakPolarHBondContact OG-CH2 3.27Å; S114-W191 WeakPolarHBondContact OG-CZ2 3.47Å
115A92.6Very high88.9Confident0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-64.7-45.3179.300000110.7V111 L113 L117 N119 W153 S156V111-A115 VanDerWaalsContact O-CB 3.28Å; V111-A115 WeakPolarHBondContact O-CB 3.41Å; V111-A115 PolarHBondContact O-N 3.38Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.28Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 3.49Å; A115-N119 WeakPolarHBondContact O-CB 3.24Å; A115-N119 PolarHBondContact O-N 3.46Å; A115-N119 PolarHBondContact O-ND2 2.98Å; A115-W153 HydrophobicContact CB-CE3 4.35Å; A115-W153 HydrophobicContact CB-CH2 4.41Å; A115-W153 HydrophobicContact CB-CZ3 4.17Å; A115-S156 WeakPolarHBondContact CA-OG 3.45Å; A115-S156 PolarHBondContact N-OG 3.16Å; A115-S156 VanDerWaalsContact N-OG 3.07Å
116S89.8Confident88.3Confident4 Ų417 Ų173%0.02810%0.097CC..Hα-helixtrans-61-43.5176-177.80000111.6S112 L113 N119 L120 F248S112-S116 WeakPolarHBondContact O-CB 3.4Å; S112-S116 PolarHBondContact O-N 2.96Å; L113-S116 PolarHBondContact O-N 3.14Å; S116-N119 PolarHBondContact O-N 2.85Å; S116-L120 WeakPolarHBondContact O-CD1 3.19Å; S116-L120 WeakPolarHBondContact O-CG 3.36Å; S116-L120 PolarHBondContact O-N 3.14Å; S116-F248 WeakPolarHBondContact OG-CE2 3.45Å
117L87.5Confident87.6Confident1 Ų117.2 Ų17.21%0.00510%0.096CC..Hα-helixtrans-64.3-49.4179.5-76.4171.1000112.6L113 S114 A115 N119 L120 L121 N195 F199 M202 F248L113-L117 HydrophobicContact CD1-CD1 3.8Å; L113-L117 HydrophobicContact CD1-CG 4.1Å; L113-L117 HydrophobicContact CG-CD1 3.88Å; L113-L117 WeakPolarHBondContact O-CB 3.28Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.33Å; S114-L117 PolarHBondContact O-N 3.38Å; A115-L117 VanDerWaalsContact C-N 3.35Å; A115-L117 PolarHBondContact O-N 3.49Å; L117-N119 VanDerWaalsContact C-N 3.3Å; L117-N119 PolarHBondContact O-N 2.92Å; L117-L120 PolarHBondContact O-N 3.08Å; L117-L121 PolarHBondContact O-N 2.99Å; L117-N195 HydrophobicContact CD1-CB 4.31Å; L117-N195 WeakPolarHBondContact CD1-OD1 3.35Å; L117-F199 HydrophobicContact CD2-CD1 4.05Å; L117-F199 HydrophobicContact CD2-CE1 3.16Å; L117-F199 HydrophobicContact CD2-CZ 3.6Å; L117-M202 HydrophobicContact CD2-CE 4.42Å; L117-F248 HydrophobicContact CD2-CD1 4.36Å; L117-F248 HydrophobicContact CD2-CE1 3.3Å; L117-F248 HydrophobicContact CD2-CZ 3.67Å; L117-F248 HydrophobicContact CG-CE1 4.23Å; L117-F248 HydrophobicContact CG-CZ 4.14Å
118A90.1Very high86.9Confident25 Ų2521.1 Ų21.121%0.20711%0.108CC..Hα-helixtrans-64.2-37.4178.300000111.1S114 L120 L121 V122 V152S114-A118 VanDerWaalsContact O-CB 3.31Å; S114-A118 WeakPolarHBondContact O-CB 3.42Å; S114-A118 PolarHBondContact O-N 2.9Å; A118-L120 PolarHBondContact O-N 3Å; A118-L121 PolarHBondContact O-N 2.88Å; A118-V122 VanDerWaalsContact O-CG2 3.32Å; A118-V122 WeakPolarHBondContact O-CG2 3.39Å; A118-V122 PolarHBondContact O-N 3.19Å; A118-V152 HydrophobicContact CB-CB 4.41Å; A118-V152 HydrophobicContact CB-CG1 3.88Å; A118-V152 HydrophobicContact CB-CG2 4.01Å
119N89Confident86.2Confident1 Ų124 Ų241%0.00512%0.123CC..Hα-helixtrans-59.7-44.8172.2-83.5-37000112.4N71 L72 S75 A115 S116 L117 L121 V122 I123N71-N119 PolarHBondContact ND2-ND2 3.38Å; N71-N119 PolarHBondContact ND2-OD1 2.96Å; N71-N119 PolarHBondContact O-ND2 2.84Å; L72-N119 HydrophobicContact CB-CB 4.28Å; L72-N119 HydrophobicContact CD1-CB 3.98Å; S75-N119 PolarHBondContact OG-ND2 2.94Å; A115-N119 WeakPolarHBondContact O-CB 3.24Å; A115-N119 PolarHBondContact O-N 3.46Å; A115-N119 PolarHBondContact O-ND2 2.98Å; S116-N119 PolarHBondContact O-N 2.85Å; L117-N119 VanDerWaalsContact C-N 3.3Å; L117-N119 PolarHBondContact O-N 2.92Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-V122 PolarHBondContact O-N 3.28Å; N119-I123 VanDerWaalsContact O-CG1 3.26Å; N119-I123 WeakPolarHBondContact O-CG1 3.45Å; N119-I123 PolarHBondContact O-N 3.24Å
120L83.9Confident85.4Confident3 Ų323.8 Ų23.82%0.01612%0.123CC..Hα-helixtrans-68.3-35.6179-66162.4000112L72 S116 L117 A118 I123 A124 M202 L245 F248L72-L120 HydrophobicContact CD1-CD2 4.12Å; L72-L120 HydrophobicContact CD1-CG 4.08Å; L72-L120 HydrophobicContact CD2-CD2 3.55Å; L72-L120 HydrophobicContact CD2-CG 4.36Å; S116-L120 WeakPolarHBondContact O-CD1 3.19Å; S116-L120 WeakPolarHBondContact O-CG 3.36Å; S116-L120 PolarHBondContact O-N 3.14Å; L117-L120 PolarHBondContact O-N 3.08Å; A118-L120 PolarHBondContact O-N 3Å; L120-I123 PolarHBondContact O-N 3.42Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 3.37Å; L120-M202 HydrophobicContact CB-SD 3.89Å; L120-L245 HydrophobicContact CB-CD2 3.96Å; L120-L245 HydrophobicContact CD2-CD2 3.35Å; L120-L245 HydrophobicContact CG-CD2 4.17Å; L120-F248 HydrophobicContact CD1-CB 4.39Å; L120-F248 HydrophobicContact CD1-CD1 3.82Å; L120-F248 HydrophobicContact CD1-CD2 3.05Å; L120-F248 HydrophobicContact CD1-CE1 3.85Å; L120-F248 HydrophobicContact CD1-CE2 3.06Å; L120-F248 HydrophobicContact CD1-CG 3.49Å; L120-F248 VanDerWaalsContact CD1-CG 3.49Å; L120-F248 HydrophobicContact CD1-CZ 3.5Å; L120-F248 VanDerWaalsContact CD1-CZ 3.5Å; L120-F248 HydrophobicContact CG-CD2 4.42Å; L120-F248 HydrophobicContact CG-CE2 4.48Å
121L87.1Confident84.5Confident43 Ų4324.3 Ų24.323%0.22513%0.127CC..Hα-helixtrans-63.9-44172.5179.464.3000111.2L117 A118 N119 I123 A124 L125 I198 M202 I205L117-L121 PolarHBondContact O-N 2.99Å; A118-L121 PolarHBondContact O-N 2.88Å; N119-L121 VanDerWaalsContact C-N 3.34Å; L121-I123 VanDerWaalsContact C-N 3.34Å; L121-I123 PolarHBondContact O-N 2.96Å; L121-A124 VanDerWaalsContact O-CB 3.29Å; L121-A124 WeakPolarHBondContact O-CB 3.37Å; L121-A124 PolarHBondContact O-N 3.27Å; L121-L125 HydrophobicContact CD1-CD1 4.46Å; L121-L125 HydrophobicContact CD1-CG 4.46Å; L121-L125 HydrophobicContact CG-CD1 4.21Å; L121-L125 WeakPolarHBondContact O-CG 3.33Å; L121-L125 PolarHBondContact O-N 2.84Å; L121-I198 HydrophobicContact CB-CG2 4.4Å; L121-I198 HydrophobicContact CD2-CG2 4.27Å; L121-M202 HydrophobicContact CB-CG 4.38Å; L121-M202 HydrophobicContact CB-SD 4.28Å; L121-M202 HydrophobicContact CD1-CG 3.8Å; L121-I205 HydrophobicContact CD1-CD1 4.37Å
122V86.4Confident83.6Confident22 Ų2225.5 Ų25.513%0.13313%0.132CC..Hα-helixtrans-62.4-42.7175.9171.50000110.8L68 A118 N119 A124 L125 E126 L148 V152L68-V122 HydrophobicContact CD1-CG1 4.07Å; L68-V122 HydrophobicContact CD2-CG1 3.6Å; L68-V122 HydrophobicContact CG-CG1 4.49Å; A118-V122 VanDerWaalsContact O-CG2 3.32Å; A118-V122 WeakPolarHBondContact O-CG2 3.39Å; A118-V122 PolarHBondContact O-N 3.19Å; N119-V122 PolarHBondContact O-N 3.28Å; V122-A124 VanDerWaalsContact C-N 3.33Å; V122-A124 PolarHBondContact O-N 3.24Å; V122-L125 PolarHBondContact O-N 3.48Å; V122-E126 WeakPolarHBondContact O-CB 3.35Å; V122-E126 PolarHBondContact O-N 3.02Å; V122-L148 HydrophobicContact CG1-CD1 4.16Å; V122-V152 HydrophobicContact CG2-CG2 4.06Å
123I82.7Confident82.5Confident12 Ų1229.8 Ų29.86%0.06216%0.155CC..Hα-helixtrans-62.2-42173.8-67.3163.9000110.4L68 L72 N119 L120 L121 L125 E126 R127L68-I123 HydrophobicContact CB-CG1 4.04Å; L72-I123 HydrophobicContact CB-CD1 4.32Å; L72-I123 HydrophobicContact CD2-CD1 3.74Å; N119-I123 VanDerWaalsContact O-CG1 3.26Å; N119-I123 WeakPolarHBondContact O-CG1 3.45Å; N119-I123 PolarHBondContact O-N 3.24Å; L120-I123 PolarHBondContact O-N 3.42Å; L121-I123 VanDerWaalsContact C-N 3.34Å; L121-I123 PolarHBondContact O-N 2.96Å; I123-L125 PolarHBondContact O-N 3.5Å; I123-E126 PolarHBondContact O-N 3.44Å; I123-R127 HydrophobicContact CG2-CG 4.33Å; I123-R127 WeakPolarHBondContact O-CB 3.49Å; I123-R127 WeakPolarHBondContact O-CG 3.41Å; I123-R127 PolarHBondContact O-N 3.49Å
124A80.7Confident81.4Confident0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-58.2-47.7176.800000111.7L120 L121 V122 R127 Y128 M202 I205 Y206L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 3.37Å; L121-A124 VanDerWaalsContact O-CB 3.29Å; L121-A124 WeakPolarHBondContact O-CB 3.37Å; L121-A124 PolarHBondContact O-N 3.27Å; V122-A124 VanDerWaalsContact C-N 3.33Å; V122-A124 PolarHBondContact O-N 3.24Å; A124-R127 PolarHBondContact O-N 3.19Å; A124-Y128 WeakPolarHBondContact O-CB 3.26Å; A124-Y128 PolarHBondContact O-N 2.93Å; A124-M202 HydrophobicContact CB-CG 4.4Å; A124-I205 HydrophobicContact CB-CG2 4.46Å; A124-Y206 WeakPolarHBondContact CA-OH 3.19Å; A124-Y206 HydrophobicContact CB-CE1 4.1Å; A124-Y206 HydrophobicContact CB-CE2 4.49Å; A124-Y206 WeakPolarHBondContact CB-OH 3.22Å
125L82.7Confident80.1Confident74 Ų7440.3 Ų40.339%0.38719%0.194SC..Hα-helixtrans-67.6-43-179.9-72.1171.1000111.8L121 V122 I123 R127 Y128 I129 I205L121-L125 HydrophobicContact CD1-CD1 4.46Å; L121-L125 HydrophobicContact CD1-CG 4.46Å; L121-L125 HydrophobicContact CG-CD1 4.21Å; L121-L125 WeakPolarHBondContact O-CG 3.33Å; L121-L125 PolarHBondContact O-N 2.84Å; V122-L125 PolarHBondContact O-N 3.48Å; I123-L125 PolarHBondContact O-N 3.5Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 2.91Å; L125-Y128 WeakPolarHBondContact O-CB 3.42Å; L125-Y128 PolarHBondContact O-N 3.26Å; L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.45Å; L125-I129 PolarHBondContact O-N 3.37Å; L125-I205 HydrophobicContact CD2-CD1 3.73Å; L125-I205 HydrophobicContact CG-CD1 4.34Å
126E80.8Confident78.2Confident10 Ų1046.8 Ų46.85%0.04723%0.233CC..Hα-helixtrans-57.8-47.1174.5-174.6-75.9145.400110.4L68 V122 I123 Y128 I129 S130 S138 L140L68-E126 HydrophobicContact CD1-CB 4.18Å; L68-E126 HydrophobicContact CD1-CG 4.15Å; V122-E126 WeakPolarHBondContact O-CB 3.35Å; V122-E126 PolarHBondContact O-N 3.02Å; I123-E126 PolarHBondContact O-N 3.44Å; E126-Y128 PolarHBondContact O-N 3.46Å; E126-I129 PolarHBondContact O-N 3.41Å; E126-S130 WeakPolarHBondContact O-CB 3.35Å; E126-S130 PolarHBondContact O-N 3.3Å; E126-S130 PolarHBondContact O-OG 3.43Å; E126-S130 PolarHBondContact OE1-OG 2.99Å; E126-S138 VanDerWaalsContact OE1-CB 3.31Å; E126-S138 WeakPolarHBondContact OE1-CB 3.4Å; E126-S138 PolarHBondContact OE1-OG 2.85Å; E126-L140 HydrophobicContact CB-CD1 4.23Å; E126-L140 HydrophobicContact CG-CD1 3.39Å
127R76.1Confident76.5Confident44 Ų4452 Ų5217%0.16626%0.257CS..Hα-helixtrans-64.6-40.7178.8-70.6-63.2-171.3-121.916.8112.3I123 A124 L125 S130 V131 V241I123-R127 HydrophobicContact CG2-CG 4.33Å; I123-R127 WeakPolarHBondContact O-CB 3.49Å; I123-R127 WeakPolarHBondContact O-CG 3.41Å; I123-R127 PolarHBondContact O-N 3.49Å; A124-R127 PolarHBondContact O-N 3.19Å; L125-R127 VanDerWaalsContact C-N 3.3Å; L125-R127 PolarHBondContact O-N 2.91Å; R127-S130 PolarHBondContact O-N 2.89Å; R127-V131 VanDerWaalsContact O-CB 3.29Å; R127-V131 WeakPolarHBondContact O-CB 3.4Å; R127-V131 WeakPolarHBondContact O-CG2 3.38Å; R127-V131 PolarHBondContact O-N 3.43Å; R127-V241 HydrophobicContact CG-CG1 4.28Å
128Y79Confident75Confident93 Ų9353.2 Ų53.237%0.36527%0.266SS..Hα-helixtrans-56.4-51.4173.6177.3-98.8000111.2A124 L125 E126 V131 M132 I205 I209A124-Y128 WeakPolarHBondContact O-CB 3.26Å; A124-Y128 PolarHBondContact O-N 2.93Å; L125-Y128 WeakPolarHBondContact O-CB 3.42Å; L125-Y128 PolarHBondContact O-N 3.26Å; E126-Y128 PolarHBondContact O-N 3.46Å; Y128-V131 PolarHBondContact O-N 3.13Å; Y128-M132 HydrophobicContact CD2-CE 3.95Å; Y128-M132 HydrophobicContact CD2-CG 4.08Å; Y128-M132 HydrophobicContact CE1-CG 4.34Å; Y128-M132 HydrophobicContact CE2-CE 3.56Å; Y128-M132 HydrophobicContact CE2-CG 3.77Å; Y128-M132 HydrophobicContact CG-CG 4.48Å; Y128-M132 WeakPolarHBondContact O-CB 3.37Å; Y128-M132 VanDerWaalsContact O-CG 3.3Å; Y128-M132 WeakPolarHBondContact O-CG 3.28Å; Y128-M132 PolarHBondContact O-N 3.41Å; Y128-I205 HydrophobicContact CD2-CG2 4.09Å; Y128-I205 HydrophobicContact CG-CG2 4.23Å; Y128-I209 HydrophobicContact CD2-CD1 4.35Å; Y128-I209 HydrophobicContact CD2-CG1 3.92Å
129I78.2Confident73.6Confident91 Ų9157.3 Ų57.347%0.46728%0.284SS..Hα-helixtrans-63.5-46.2-178.5-67.1167000111.2L125 E126 N133L125-I129 VanDerWaalsContact O-CG1 3.28Å; L125-I129 WeakPolarHBondContact O-CG1 3.45Å; L125-I129 PolarHBondContact O-N 3.37Å; E126-I129 PolarHBondContact O-N 3.41Å; I129-N133 VanDerWaalsContact O-CB 3.27Å; I129-N133 WeakPolarHBondContact O-CB 3.45Å; I129-N133 PolarHBondContact O-N 3.46Å; I129-N133 VanDerWaalsContact O-N 3.16Å; I129-N133 PolarHBondContact O-ND2 3.13Å
130S73.2Confident72.6Confident16 Ų1659 Ų5911%0.11229%0.293CS..Hα-helixtrans-65-40.5-178.6-67.90000111.8E126 R127 W134 K135E126-S130 WeakPolarHBondContact O-CB 3.35Å; E126-S130 PolarHBondContact O-N 3.3Å; E126-S130 PolarHBondContact O-OG 3.43Å; E126-S130 PolarHBondContact OE1-OG 2.99Å; R127-S130 PolarHBondContact O-N 2.89Å; S130-W134 PolarHBondContact O-N 3Å; S130-K135 PolarHBondContact O-N 3.43Å; S130-K135 VanDerWaalsContact O-N 3.1Å
131V71.1Confident72.4Confident26 Ų2662.2 Ų62.216%0.15831%0.313CS..Hα-helixtrans-72.6-46.9179.4172.90000112.2R127 Y128 N133 W134 I209 Y212 V213 I238R127-V131 VanDerWaalsContact O-CB 3.29Å; R127-V131 WeakPolarHBondContact O-CB 3.4Å; R127-V131 WeakPolarHBondContact O-CG2 3.38Å; R127-V131 PolarHBondContact O-N 3.43Å; Y128-V131 PolarHBondContact O-N 3.13Å; V131-N133 VanDerWaalsContact C-N 3.26Å; V131-N133 PolarHBondContact O-N 3.14Å; V131-W134 PolarHBondContact O-N 2.89Å; V131-I209 HydrophobicContact CG1-CG2 4.31Å; V131-Y212 HydrophobicContact CG1-CD1 4.37Å; V131-V213 HydrophobicContact CG1-CG2 4.05Å; V131-I238 HydrophobicContact CG2-CD1 3.98Å; V131-I238 HydrophobicContact CG2-CG1 4.34Å
132M73.9Confident71.9Confident42 Ų4266.8 Ų66.821%0.20733%0.331CS..Hα-helixtrans-67.3-31.2-177.8-64.9-36.8-172.800112.4Y128 I209 Y212Y128-M132 HydrophobicContact CD2-CE 3.95Å; Y128-M132 HydrophobicContact CD2-CG 4.08Å; Y128-M132 HydrophobicContact CE1-CG 4.34Å; Y128-M132 HydrophobicContact CE2-CE 3.56Å; Y128-M132 HydrophobicContact CE2-CG 3.77Å; Y128-M132 HydrophobicContact CG-CG 4.48Å; Y128-M132 WeakPolarHBondContact O-CB 3.37Å; Y128-M132 VanDerWaalsContact O-CG 3.3Å; Y128-M132 WeakPolarHBondContact O-CG 3.28Å; Y128-M132 PolarHBondContact O-N 3.41Å; M132-I209 HydrophobicContact CE-CG1 4.31Å; M132-Y212 HydrophobicContact CE-CD1 4.31Å; M132-Y212 HydrophobicContact CE-CD2 4.39Å; M132-Y212 HydrophobicContact CE-CG 3.88Å; M132-Y212 HydrophobicContact SD-CD1 3.5Å; M132-Y212 VanDerWaalsContact SD-CD1 3.5Å; M132-Y212 HydrophobicContact SD-CD2 3.88Å; M132-Y212 HydrophobicContact SD-CE1 3.88Å; M132-Y212 HydrophobicContact SD-CE2 4.21Å; M132-Y212 HydrophobicContact SD-CG 3.5Å; M132-Y212 VanDerWaalsContact SD-CG 3.5Å
133N69.7Low71.7Confident92 Ų9275.3 Ų75.349%0.49236%0.36SS..THydrogen-bonded Turntrans-88.92.4178-64-37.6000113.9I129 V131 K135I129-N133 VanDerWaalsContact O-CB 3.27Å; I129-N133 WeakPolarHBondContact O-CB 3.45Å; I129-N133 PolarHBondContact O-N 3.46Å; I129-N133 VanDerWaalsContact O-N 3.16Å; I129-N133 PolarHBondContact O-ND2 3.13Å; V131-N133 VanDerWaalsContact C-N 3.26Å; V131-N133 PolarHBondContact O-N 3.14Å; N133-K135 HydrophobicContact CB-CD 4.2Å; N133-K135 HydrophobicContact CB-CG 4.1Å; N133-K135 PolarHBondContact O-N 3.04Å
134W64.6Low71.9Confident152 Ų15282.2 Ų82.258%0.57639%0.386SS*.THydrogen-bonded Turntrans51.227.8-175.2-73.275.9000114.2S130 V131 V136 Y212 K216S130-W134 PolarHBondContact O-N 3Å; V131-W134 PolarHBondContact O-N 2.89Å; W134-V136 PolarHBondContact O-N 3.11Å; W134-Y212 AromaticContact NE1-CE1 3.78Å; W134-Y212 AromaticContact NE1-CZ 3.76Å; W134-Y212 PolarHBondContact NE1-OH 3.04Å; W134-K216 HydrophobicContact CH2-CD 4.49Å; W134-K216 HydrophobicContact CZ2-CB 4.36Å; W134-K216 HydrophobicContact CZ2-CD 3.65Å; W134-K216 HydrophobicContact CZ2-CG 4.03Å
135K62.5Low72Confident95 Ų9582.4 Ų82.441%0.41339%0.387SS..  trans-90.9111.7179-69.1-178.7-179.4177.70108.2S130 N133 H137 N139S130-K135 PolarHBondContact O-N 3.43Å; S130-K135 VanDerWaalsContact O-N 3.1Å; N133-K135 HydrophobicContact CB-CD 4.2Å; N133-K135 HydrophobicContact CB-CG 4.1Å; N133-K135 PolarHBondContact O-N 3.04Å; K135-H137 PolarHBondContact O-N 3.37Å; K135-N139 PolarHBondContact NZ-ND2 3.44Å
136V53.2Low72.1Confident136 Ų13683 Ų8382%0.82439%0.393SS*.SBendtrans-62.9-29.6174.8179.20000111W134W134-V136 PolarHBondContact O-N 3.11Å
137H53.8Low72.4Confident114 Ų11487.7 Ų87.753%0.52842%0.419SS..SBendtrans-114.1124.4175.8-65.583.4000109.7Y63 K135 N139Y63-H137 AromaticContact CE1-CD2 3.8Å; K135-H137 PolarHBondContact O-N 3.37Å; H137-N139 PolarHBondContact O-N 2.77Å
138S56.9Low73Confident27 Ų2788.5 Ų88.519%0.18943%0.426CS..  trans-62.4127.5176.8-167.10000110.5E126 L140E126-S138 VanDerWaalsContact OE1-CB 3.31Å; E126-S138 WeakPolarHBondContact OE1-CB 3.4Å; E126-S138 PolarHBondContact OE1-OG 2.85Å; S138-L140 PolarHBondContact O-N 2.99Å; S138-L140 VanDerWaalsContact OG-CD1 3.29Å; S138-L140 WeakPolarHBondContact OG-CD1 3.49Å; S138-L140 VanDerWaalsContact OG-CG 3.32Å; S138-L140 WeakPolarHBondContact OG-CG 3.41Å
139N60.7Low73.6Confident111 Ų11185.8 Ų85.859%0.59442%0.417SS*.  trans-74.628.5170.7-78.41.2000112K135 H137 T141K135-N139 PolarHBondContact NZ-ND2 3.44Å; H137-N139 PolarHBondContact O-N 2.77Å; N139-T141 PolarHBondContact O-N 3.03Å
140L67.6Low74.3Confident36 Ų3685.3 Ų85.319%0.18842%0.418CS..  trans-77.5110.6172.6-81.9169.8000108.4P64 E126 S138 R144 V145P64-L140 HydrophobicContact CB-CB 3.78Å; P64-L140 HydrophobicContact CB-CD1 4.43Å; P64-L140 HydrophobicContact CG-CB 4.08Å; P64-L140 WeakPolarHBondContact CG-O 3.41Å; E126-L140 HydrophobicContact CB-CD1 4.23Å; E126-L140 HydrophobicContact CG-CD1 3.39Å; S138-L140 PolarHBondContact O-N 2.99Å; S138-L140 VanDerWaalsContact OG-CD1 3.29Å; S138-L140 WeakPolarHBondContact OG-CD1 3.49Å; S138-L140 VanDerWaalsContact OG-CG 3.32Å; S138-L140 WeakPolarHBondContact OG-CG 3.41Å; L140-R144 HydrophobicContact CD2-CB 4.37Å; L140-V145 HydrophobicContact CB-CG2 3.88Å; L140-V145 HydrophobicContact CD1-CG2 4.36Å; L140-V145 HydrophobicContact CG-CG2 4.5Å
141T78.9Confident75.2Confident71 Ų7189.1 Ų89.144%0.43644%0.437SS..  trans-67.1147.4170.662.20000109.4N139 R143 R144 V145N139-T141 PolarHBondContact O-N 3.03Å; T141-R143 PolarHBondContact O-N 2.98Å; T141-R143 VanDerWaalsContact O-N 3.16Å; T141-R144 PolarHBondContact O-N 3.37Å; T141-R144 WeakPolarHBondContact OG1-CG 3.33Å; T141-R144 PolarHBondContact OG1-N 3.08Å; T141-V145 PolarHBondContact O-N 3.49Å; T141-V145 VanDerWaalsContact O-N 3.15Å
142K77.8Confident76.2Confident138 Ų13888.4 Ų88.460%0.643%0.432SS*.Hα-helixtrans-49.9-42.5176-65.8-178-177.8178.60111.5R144 V145 T146K142-R144 PolarHBondContact O-N 3.06Å; K142-V145 PolarHBondContact O-N 3.46Å; K142-T146 PolarHBondContact O-N 2.95Å; K142-T146 PolarHBondContact O-OG1 3.19Å; K142-T146 VanDerWaalsContact O-OG1 3.04Å
143R82.8Confident77.3Confident201 Ų20189.2 Ų89.276%0.75843%0.433SS*.Hα-helixtrans-56.4-44.5176.4-171.2176.2-178.5179.41113.1T141 L147T141-R143 PolarHBondContact O-N 2.98Å; T141-R143 VanDerWaalsContact O-N 3.16Å; R143-L147 HydrophobicContact CG-CD1 4.38Å; R143-L147 VanDerWaalsContact O-CG 3.32Å; R143-L147 WeakPolarHBondContact O-CG 3.46Å; R143-L147 PolarHBondContact O-N 3.33Å
144R84.9Confident78.5Confident158 Ų15887.9 Ų87.960%0.59643%0.431SS*.Hα-helixtrans-66.7-41.1178.3-74.5176.8-178.4-177.50.2111.7L140 T141 K142 L147 L148L140-R144 HydrophobicContact CD2-CB 4.37Å; T141-R144 PolarHBondContact O-N 3.37Å; T141-R144 WeakPolarHBondContact OG1-CG 3.33Å; T141-R144 PolarHBondContact OG1-N 3.08Å; K142-R144 PolarHBondContact O-N 3.06Å; R144-L147 PolarHBondContact O-N 2.89Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 3.02Å
145V82.9Confident79.9Confident4 Ų485 Ų852%0.02443%0.426CS..Hα-helixtrans-62.9-46.7176.7179.80000110.8P64 L68 L140 T141 K142 L147 L148 I149P64-V145 HydrophobicContact CB-CG2 3.87Å; L68-V145 HydrophobicContact CD2-CG1 4.14Å; L68-V145 HydrophobicContact CG-CG1 4.35Å; L140-V145 HydrophobicContact CB-CG2 3.88Å; L140-V145 HydrophobicContact CD1-CG2 4.36Å; L140-V145 HydrophobicContact CG-CG2 4.5Å; T141-V145 PolarHBondContact O-N 3.49Å; T141-V145 VanDerWaalsContact O-N 3.15Å; K142-V145 PolarHBondContact O-N 3.46Å; V145-L147 VanDerWaalsContact C-N 3.33Å; V145-L147 PolarHBondContact O-N 3.41Å; V145-L148 PolarHBondContact O-N 3.1Å; V145-I149 HydrophobicContact CG1-CD1 3.92Å; V145-I149 HydrophobicContact CG1-CG1 4.42Å; V145-I149 VanDerWaalsContact O-CG1 3.31Å; V145-I149 WeakPolarHBondContact O-CG1 3.36Å; V145-I149 PolarHBondContact O-N 3.03Å
146T84.9Confident81.4Confident85 Ų8580.5 Ų80.552%0.52141%0.407SS..Hα-helixtrans-59.6-43.2177.1-53.70000111.8K142 I149 V150K142-T146 PolarHBondContact O-N 2.95Å; K142-T146 PolarHBondContact O-OG1 3.19Å; K142-T146 VanDerWaalsContact O-OG1 3.04Å; T146-I149 PolarHBondContact O-N 3.19Å; T146-V150 WeakPolarHBondContact O-CG2 3.15Å; T146-V150 PolarHBondContact O-N 2.96Å
147L88.6Confident83.4Confident110 Ų11078.5 Ų78.558%0.57639%0.391SS*.Hα-helixtrans-62.5-42.3175.8-73171.4000112.4R143 R144 V145 I149 V150 L151R143-L147 HydrophobicContact CG-CD1 4.38Å; R143-L147 VanDerWaalsContact O-CG 3.32Å; R143-L147 WeakPolarHBondContact O-CG 3.46Å; R143-L147 PolarHBondContact O-N 3.33Å; R144-L147 PolarHBondContact O-N 2.89Å; V145-L147 VanDerWaalsContact C-N 3.33Å; V145-L147 PolarHBondContact O-N 3.41Å; L147-I149 VanDerWaalsContact C-N 3.35Å; L147-V150 PolarHBondContact O-N 2.68Å; L147-L151 WeakPolarHBondContact O-CB 3.14Å; L147-L151 PolarHBondContact O-N 2.98Å
148L88.1Confident85.4Confident60 Ų6078.9 Ų78.931%0.31439%0.391SS..Hα-helixtrans-62.3-42.2175.8-73170.9000111.6V122 R144 V145 L151 V152V122-L148 HydrophobicContact CG1-CD1 4.16Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 3.02Å; V145-L148 PolarHBondContact O-N 3.1Å; L148-L151 PolarHBondContact O-N 3.21Å; L148-V152 WeakPolarHBondContact O-CB 3.47Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.41Å; L148-V152 PolarHBondContact O-N 3.35Å
149I90.6Very high87Confident37 Ų3779.2 Ų79.219%0.1939%0.39CS..Hα-helixtrans-59.8-50.8176.1-69.7170.9000110.2N71 V145 T146 L147 L151 V152 W153N71-I149 HydrophobicContact CB-CD1 4.22Å; N71-I149 HydrophobicContact CB-CG1 4.14Å; N71-I149 WeakPolarHBondContact OD1-CG2 3.32Å; V145-I149 HydrophobicContact CG1-CD1 3.92Å; V145-I149 HydrophobicContact CG1-CG1 4.42Å; V145-I149 VanDerWaalsContact O-CG1 3.31Å; V145-I149 WeakPolarHBondContact O-CG1 3.36Å; V145-I149 PolarHBondContact O-N 3.03Å; T146-I149 PolarHBondContact O-N 3.19Å; L147-I149 VanDerWaalsContact C-N 3.35Å; I149-L151 VanDerWaalsContact C-N 3.3Å; I149-L151 PolarHBondContact O-N 3.43Å; I149-V152 PolarHBondContact O-N 3.28Å; I149-W153 PolarHBondContact O-N 3.2Å
150V92.8Very high88.5Confident81 Ų8174.2 Ų74.249%0.49137%0.365SS..Hα-helixtrans-58.9-42.9178.7171.40000111.2T146 L147 W153 S154T146-V150 WeakPolarHBondContact O-CG2 3.15Å; T146-V150 PolarHBondContact O-N 2.96Å; L147-V150 PolarHBondContact O-N 2.68Å; V150-W153 PolarHBondContact O-N 3.29Å; V150-S154 WeakPolarHBondContact O-CB 3.42Å; V150-S154 PolarHBondContact O-N 3.5Å; V150-S154 PolarHBondContact O-OG 3.13Å
151L92.8Very high89.8Confident96 Ų9674 Ų7450%0.50337%0.368SS..Hα-helixtrans-63.3-45.3178.1-175.867.4000111.9L147 L148 I149 W153 S154 I155L147-L151 WeakPolarHBondContact O-CB 3.14Å; L147-L151 PolarHBondContact O-N 2.98Å; L148-L151 PolarHBondContact O-N 3.21Å; I149-L151 VanDerWaalsContact C-N 3.3Å; I149-L151 PolarHBondContact O-N 3.43Å; L151-W153 PolarHBondContact O-N 2.96Å; L151-S154 PolarHBondContact O-N 3.32Å; L151-I155 HydrophobicContact CD1-CD1 3.87Å; L151-I155 HydrophobicContact CD1-CG1 4.22Å; L151-I155 HydrophobicContact CD2-CD1 4.45Å; L151-I155 HydrophobicContact CG-CD1 3.79Å; L151-I155 HydrophobicContact CG-CG1 4.45Å; L151-I155 WeakPolarHBondContact O-CG1 3.33Å; L151-I155 PolarHBondContact O-N 2.88Å
152V93.3Very high90.5Very high10 Ų1071.5 Ų71.56%0.06135%0.353CS..Hα-helixtrans-56-50.4177163.20000110.6A118 V122 L148 I149 S156A118-V152 HydrophobicContact CB-CB 4.41Å; A118-V152 HydrophobicContact CB-CG1 3.88Å; A118-V152 HydrophobicContact CB-CG2 4.01Å; V122-V152 HydrophobicContact CG2-CG2 4.06Å; L148-V152 WeakPolarHBondContact O-CB 3.47Å; L148-V152 VanDerWaalsContact O-CG2 3.26Å; L148-V152 WeakPolarHBondContact O-CG2 3.41Å; L148-V152 PolarHBondContact O-N 3.35Å; I149-V152 PolarHBondContact O-N 3.28Å; V152-S156 VanDerWaalsContact O-CB 3.31Å; V152-S156 WeakPolarHBondContact O-CB 3.38Å; V152-S156 PolarHBondContact O-N 2.95Å; V152-S156 PolarHBondContact O-OG 2.93Å
153W95.9Very high91.2Very high59 Ų5965 Ų6522%0.22332%0.324CS..Hα-helixtrans-65.6-42179.6-76.2107000112.3N71 L78 A115 I149 V150 L151 S156 I157N71-W153 PolarHBondContact OD1-NE1 3.26Å; L78-W153 HydrophobicContact CB-CH2 4.47Å; L78-W153 HydrophobicContact CD2-CH2 4.03Å; L78-W153 HydrophobicContact CD2-CZ3 3.63Å; A115-W153 HydrophobicContact CB-CE3 4.35Å; A115-W153 HydrophobicContact CB-CH2 4.41Å; A115-W153 HydrophobicContact CB-CZ3 4.17Å; I149-W153 PolarHBondContact O-N 3.2Å; V150-W153 PolarHBondContact O-N 3.29Å; L151-W153 PolarHBondContact O-N 2.96Å; W153-S156 PolarHBondContact O-N 3.13Å; W153-I157 WeakPolarHBondContact O-CB 3.22Å; W153-I157 VanDerWaalsContact O-CG1 3.24Å; W153-I157 WeakPolarHBondContact O-CG1 3.33Å; W153-I157 PolarHBondContact O-N 3.17Å
154S95.6Very high91.5Very high65 Ų6558.6 Ų58.646%0.45531%0.31SS..Hα-helixtrans-61.1-48.3179.6-57.80000111.7V150 L151 S156 F158V150-S154 WeakPolarHBondContact O-CB 3.42Å; V150-S154 PolarHBondContact O-N 3.5Å; V150-S154 PolarHBondContact O-OG 3.13Å; L151-S154 PolarHBondContact O-N 3.32Å; S154-S156 VanDerWaalsContact C-N 3.35Å; S154-S156 PolarHBondContact O-N 2.9Å; S154-F158 VanDerWaalsContact O-CB 3.29Å; S154-F158 WeakPolarHBondContact O-CB 3.45Å; S154-F158 PolarHBondContact O-N 3.42Å
155I93.3Very high91.9Very high90 Ų9058 Ų5846%0.46232%0.316SS..Hα-helixtrans-63.9-42.5177.8-66.5170.9000110.5L151 F158 M159L151-I155 HydrophobicContact CD1-CD1 3.87Å; L151-I155 HydrophobicContact CD1-CG1 4.22Å; L151-I155 HydrophobicContact CD2-CD1 4.45Å; L151-I155 HydrophobicContact CG-CD1 3.79Å; L151-I155 HydrophobicContact CG-CG1 4.45Å; L151-I155 WeakPolarHBondContact O-CG1 3.33Å; L151-I155 PolarHBondContact O-N 2.88Å; I155-F158 PolarHBondContact O-N 3Å; I155-M159 HydrophobicContact CG2-CG 4.15Å; I155-M159 VanDerWaalsContact O-CB 3.29Å; I155-M159 WeakPolarHBondContact O-CB 3.46Å; I155-M159 WeakPolarHBondContact O-CG 3.47Å; I155-M159 PolarHBondContact O-N 2.79Å
156S95.1Very high92.2Very high1 Ų159.9 Ų59.91%0.00734%0.337CS..Hα-helixtrans-65.5-45.8-177.8-570000112.1A115 V152 W153 S154 M159 G160A115-S156 WeakPolarHBondContact CA-OG 3.45Å; A115-S156 PolarHBondContact N-OG 3.16Å; A115-S156 VanDerWaalsContact N-OG 3.07Å; V152-S156 VanDerWaalsContact O-CB 3.31Å; V152-S156 WeakPolarHBondContact O-CB 3.38Å; V152-S156 PolarHBondContact O-N 2.95Å; V152-S156 PolarHBondContact O-OG 2.93Å; W153-S156 PolarHBondContact O-N 3.13Å; S154-S156 VanDerWaalsContact C-N 3.35Å; S154-S156 PolarHBondContact O-N 2.9Å; S156-M159 PolarHBondContact O-N 2.98Å; S156-G160 PolarHBondContact O-N 3.47Å
157I95.1Very high92.5Very high95 Ų9560.7 Ų60.749%0.48733%0.33SS..Hα-helixtrans-62.1-46.9176.5-68.8166.7000110.3V111 W153 M159 G160 A161V111-I157 HydrophobicContact CG1-CG1 4Å; W153-I157 WeakPolarHBondContact O-CB 3.22Å; W153-I157 VanDerWaalsContact O-CG1 3.24Å; W153-I157 WeakPolarHBondContact O-CG1 3.33Å; W153-I157 PolarHBondContact O-N 3.17Å; I157-M159 PolarHBondContact O-N 3.45Å; I157-G160 PolarHBondContact O-N 2.73Å; I157-A161 WeakPolarHBondContact O-CB 2.98Å; I157-A161 PolarHBondContact O-N 3.09Å
158F94.4Very high92.7Very high121 Ų12156.2 Ų56.253%0.53131%0.307SS..Hα-helixtrans-57.4-52.3177.5176.7-103.4000111.1S154 I155 G160 A161 V162S154-F158 VanDerWaalsContact O-CB 3.29Å; S154-F158 WeakPolarHBondContact O-CB 3.45Å; S154-F158 PolarHBondContact O-N 3.42Å; I155-F158 PolarHBondContact O-N 3Å; F158-G160 VanDerWaalsContact C-N 3.31Å; F158-G160 PolarHBondContact O-N 2.5Å; F158-A161 PolarHBondContact O-N 2.98Å; F158-V162 HydrophobicContact CD1-CG2 4.33Å; F158-V162 HydrophobicContact CE1-CG2 3.98Å; F158-V162 HydrophobicContact CZ-CG2 4.11Å; F158-V162 WeakPolarHBondContact O-CG2 3.14Å; F158-V162 PolarHBondContact O-N 3.21Å
159M91.4Very high92.9Very high34 Ų3453.3 Ų53.317%0.16729%0.292CS..Hα-helixtrans-62.6-35-178.1-73.1-69.3-71.600113.1I155 S156 I157 Y187 F190 W191I155-M159 HydrophobicContact CG2-CG 4.15Å; I155-M159 VanDerWaalsContact O-CB 3.29Å; I155-M159 WeakPolarHBondContact O-CB 3.46Å; I155-M159 WeakPolarHBondContact O-CG 3.47Å; I155-M159 PolarHBondContact O-N 2.79Å; S156-M159 PolarHBondContact O-N 2.98Å; I157-M159 PolarHBondContact O-N 3.45Å; M159-Y187 PolarHBondContact O-OH 2.71Å; M159-Y187 VanDerWaalsContact O-OH 3.08Å; M159-F190 HydrophobicContact CE-CE1 3.58Å; M159-F190 HydrophobicContact CE-CZ 4.06Å; M159-F190 HydrophobicContact SD-CE1 4.3Å; M159-W191 HydrophobicContact CB-CH2 4.5Å; M159-W191 HydrophobicContact CB-CZ3 3.81Å; M159-W191 HydrophobicContact CE-CE3 4.07Å; M159-W191 HydrophobicContact CE-CZ3 4.19Å
160G92.1Very high93Very high7 Ų751.6 Ų51.67%0.07228%0.283CS..Hα-helixtrans-75.1-22.8173.300000114.4S156 I157 F158S156-G160 PolarHBondContact O-N 3.47Å; I157-G160 PolarHBondContact O-N 2.73Å; F158-G160 VanDerWaalsContact C-N 3.31Å; F158-G160 PolarHBondContact O-N 2.5Å
161A93.6Very high92.9Very high30 Ų3049.5 Ų49.525%0.24827%0.271CS..Hα-helixtrans-84.7-24.2176.500000113.4I157 F158 S164 M165I157-A161 WeakPolarHBondContact O-CB 2.98Å; I157-A161 PolarHBondContact O-N 3.09Å; F158-A161 PolarHBondContact O-N 2.98Å; A161-S164 WeakPolarHBondContact O-CA 3.39Å; A161-S164 WeakPolarHBondContact O-CB 3.39Å; A161-S164 PolarHBondContact O-N 2.74Å; A161-S164 PolarHBondContact O-OG 2.98Å; A161-M165 HydrophobicContact CB-SD 4.32Å; A161-M165 PolarHBondContact O-N 2.96Å; A161-M165 VanDerWaalsContact O-N 3.14Å
162V94.3Very high92.8Very high20 Ų2047.3 Ų47.312%0.12126%0.264CS..THydrogen-bonded Turntrans-46.8-46.6-176.9162.30000114.4F158 S164 M165 W167 Y187F158-V162 HydrophobicContact CD1-CG2 4.33Å; F158-V162 HydrophobicContact CE1-CG2 3.98Å; F158-V162 HydrophobicContact CZ-CG2 4.11Å; F158-V162 WeakPolarHBondContact O-CG2 3.14Å; F158-V162 PolarHBondContact O-N 3.21Å; V162-S164 VanDerWaalsContact C-N 3.3Å; V162-S164 PolarHBondContact O-N 2.74Å; V162-M165 PolarHBondContact O-N 2.68Å; V162-M165 VanDerWaalsContact O-N 3.13Å; V162-W167 HydrophobicContact CG1-CB 3.87Å; V162-W167 HydrophobicContact CG1-CD2 4.29Å; V162-W167 HydrophobicContact CG1-CE3 3.58Å; V162-W167 HydrophobicContact CG1-CG 4.46Å; V162-W167 HydrophobicContact CG1-CZ3 4.46Å; V162-W167 PolarHBondContact O-N 3.02Å; V162-Y187 HydrophobicContact CB-CE2 4.17Å; V162-Y187 HydrophobicContact CG1-CD2 3.97Å; V162-Y187 HydrophobicContact CG1-CE2 3.76Å
163P91.8Very high92.5Very high1 Ų149 Ų491%0.00627%0.273CS..THydrogen-bonded Turntrans-60.9-38.6177.5-26.737.2000113.3F103 M165 G166 N168 F183 Y187F103-P163 HydrophobicContact CD1-CB 4.28Å; F103-P163 HydrophobicContact CE1-CB 3.89Å; P163-M165 VanDerWaalsContact C-N 3.27Å; P163-M165 PolarHBondContact O-N 3.48Å; P163-G166 PolarHBondContact O-N 2.97Å; P163-N168 WeakPolarHBondContact O-CB 3.49Å; P163-N168 PolarHBondContact O-ND2 3.39Å; P163-F183 HydrophobicContact CB-CD1 4.23Å; P163-F183 HydrophobicContact CB-CE1 3.77Å; P163-F183 HydrophobicContact CB-CZ 3.9Å; P163-F183 HydrophobicContact CG-CD1 4.14Å; P163-F183 HydrophobicContact CG-CE1 3.55Å; P163-F183 HydrophobicContact CG-CZ 4.06Å; P163-Y187 HydrophobicContact CG-CD1 3.96Å; P163-Y187 HydrophobicContact CG-CD2 4.1Å; P163-Y187 HydrophobicContact CG-CE1 3.43Å; P163-Y187 VanDerWaalsContact CG-CE1 3.43Å; P163-Y187 HydrophobicContact CG-CE2 3.58Å; P163-Y187 HydrophobicContact CG-CG 4.26Å; P163-Y187 WeakPolarHBondContact CG-OH 3.38Å
164S91.1Very high92.1Very high66 Ų6653.2 Ų53.246%0.46230%0.3SS..THydrogen-bonded Turntrans-71.1-23.5178.574.80000112.7A161 V162 G166A161-S164 WeakPolarHBondContact O-CA 3.39Å; A161-S164 WeakPolarHBondContact O-CB 3.39Å; A161-S164 PolarHBondContact O-N 2.74Å; A161-S164 PolarHBondContact O-OG 2.98Å; V162-S164 VanDerWaalsContact C-N 3.3Å; V162-S164 PolarHBondContact O-N 2.74Å; S164-G166 VanDerWaalsContact C-N 3.33Å
165M91.4Very high91.8Very high145 Ų14552.2 Ų52.271%0.71429%0.292SS*.THydrogen-bonded Turntrans-86.41.6179.4-65.8178.268.700114A161 V162 P163A161-M165 HydrophobicContact CB-SD 4.32Å; A161-M165 PolarHBondContact O-N 2.96Å; A161-M165 VanDerWaalsContact O-N 3.14Å; V162-M165 PolarHBondContact O-N 2.68Å; V162-M165 VanDerWaalsContact O-N 3.13Å; P163-M165 VanDerWaalsContact C-N 3.27Å; P163-M165 PolarHBondContact O-N 3.48Å
166G89.2Confident91.6Very high45 Ų4548.5 Ų48.546%0.46427%0.274SS..THydrogen-bonded Turntrans130.9-10.4171.500000115.6P163 S164 N168P163-G166 PolarHBondContact O-N 2.97Å; S164-G166 VanDerWaalsContact C-N 3.33Å; G166-N168 PolarHBondContact O-N 3.31Å
167W92.8Very high91.3Very high102 Ų10248.4 Ų48.439%0.38627%0.274SS..  trans-83.358174.8-157.8-12.4000111.7V162 S186 Y187 F190V162-W167 HydrophobicContact CG1-CB 3.87Å; V162-W167 HydrophobicContact CG1-CD2 4.29Å; V162-W167 HydrophobicContact CG1-CE3 3.58Å; V162-W167 HydrophobicContact CG1-CG 4.46Å; V162-W167 HydrophobicContact CG1-CZ3 4.46Å; V162-W167 PolarHBondContact O-N 3.02Å; W167-S186 PolarHBondContact NE1-OG 3.42Å; W167-Y187 HydrophobicContact CD2-CD2 4.1Å; W167-Y187 HydrophobicContact CE3-CD2 4.2Å; W167-Y187 HydrophobicContact CG-CD2 4.3Å; W167-F190 HydrophobicContact CH2-CB 4.08Å; W167-F190 AromaticContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD2 4.4Å; W167-F190 HydrophobicContact CH2-CE1 4.47Å; W167-F190 AromaticContact CH2-CG 3.87Å; W167-F190 HydrophobicContact CH2-CG 3.87Å; W167-F190 HydrophobicContact CZ2-CB 4.34Å; W167-F190 HydrophobicContact CZ3-CD1 4.04Å; W167-F190 HydrophobicContact CZ3-CE1 4.26Å; W167-F190 HydrophobicContact CZ3-CG 4.44Å
168N93.1Very high90.7Very high15 Ų1547.4 Ų47.48%0.0827%0.266CS..BIsolated β-bridgetrans-128.7176.1-178.561.363.2000110.7F103 P163 G166 I170 I182F103-N168 HydrophobicContact CE1-CB 4.32Å; F103-N168 HydrophobicContact CZ-CB 3.85Å; P163-N168 WeakPolarHBondContact O-CB 3.49Å; P163-N168 PolarHBondContact O-ND2 3.39Å; G166-N168 PolarHBondContact O-N 3.31Å; N168-I170 HydrophobicContact CB-CD1 4.5Å; N168-I170 HydrophobicContact CB-CG1 4.43Å; N168-I170 VanDerWaalsContact OD1-CB 3.31Å; N168-I170 WeakPolarHBondContact OD1-CB 3.45Å; N168-I170 VanDerWaalsContact OD1-CG1 3.31Å; N168-I170 WeakPolarHBondContact OD1-CG1 3.45Å; N168-I170 PolarHBondContact OD1-N 3.14Å; N168-I170 VanDerWaalsContact OD1-N 3.15Å; N168-I182 VanDerWaalsContact CB-O 3.31Å; N168-I182 WeakPolarHBondContact CB-O 3.2Å
169C92.5Very high90Very high0 Ų043.3 Ų43.30%025%0.249CC..SBendtrans-102.613.7-178.469.60000113.7C171 S172 L173 C176 I182C169-C171 PolarHBondContact O-N 2.9Å; C169-S172 CarbonylContact O-C 3.45Å; C169-S172 PolarHBondContact O-N 3.23Å; C169-L173 PolarHBondContact O-N 3.34Å; C169-C176 HydrophobicContact CB-CB 3.92Å; C169-C176 WeakPolarHBondContact CB-SG 3.18Å; C169-C176 WeakPolarHBondContact SG-CA 3.45Å; C169-C176 WeakPolarHBondContact SG-CB 3.37Å; C169-C176 CovalentContact SG-SG 2.03Å; C169-C176 PolarHBondContact SG-SG 3.5Å; C169-I182 PolarHBondContact N-O 2.88Å; C169-I182 WeakPolarHBondContact SG-CA 3.11Å; C169-I182 PolarHBondContact SG-O 3.39Å
170I91.8Very high89.8Confident0 Ų042.1 Ų42.10%024%0.244CC..THydrogen-bonded Turntrans-62.3-29.9-172.5-64170.5000112.2H7 Y8 F15 I99 F103 N168 I182H7-I170 HydrophobicContact CB-CG2 4.35Å; H7-I170 PolarHBondContact N-O 3.14Å; Y8-I170 HydrophobicContact CD1-CD1 4.13Å; Y8-I170 HydrophobicContact CD1-CG2 4.06Å; Y8-I170 HydrophobicContact CD2-CG2 4.32Å; Y8-I170 HydrophobicContact CE1-CD1 3.78Å; Y8-I170 HydrophobicContact CE1-CG2 4.06Å; Y8-I170 HydrophobicContact CE2-CG2 4.33Å; Y8-I170 HydrophobicContact CG-CG2 4.19Å; F15-I170 HydrophobicContact CE1-CG1 4.49Å; F15-I170 HydrophobicContact CZ-CG1 4.4Å; F15-I170 HydrophobicContact CZ-CG2 4.38Å; I99-I170 HydrophobicContact CG2-CD1 3.84Å; F103-I170 HydrophobicContact CE2-CD1 3.82Å; F103-I170 HydrophobicContact CZ-CD1 3.96Å; N168-I170 HydrophobicContact CB-CD1 4.5Å; N168-I170 HydrophobicContact CB-CG1 4.43Å; N168-I170 VanDerWaalsContact OD1-CB 3.31Å; N168-I170 WeakPolarHBondContact OD1-CB 3.45Å; N168-I170 VanDerWaalsContact OD1-CG1 3.31Å; N168-I170 WeakPolarHBondContact OD1-CG1 3.45Å; N168-I170 PolarHBondContact OD1-N 3.14Å; N168-I170 VanDerWaalsContact OD1-N 3.15Å; I170-I182 HydrophobicContact CG1-CB 4.41Å
171C90.6Very high89.3Confident37 Ų3741.8 Ų41.825%0.2524%0.241CC..THydrogen-bonded Turntrans-97.5-1.8176.8-51.30000113.3C6 C169C6-C171 HydrophobicContact CB-CB 4.11Å; C6-C171 WeakPolarHBondContact CB-SG 3.49Å; C6-C171 WeakPolarHBondContact SG-CB 3.4Å; C6-C171 CovalentContact SG-SG 2.04Å; C6-C171 PolarHBondContact SG-SG 3.44Å; C169-C171 PolarHBondContact O-N 2.9Å
172S90Very high89.2Confident50 Ų5040.3 Ų40.335%0.3523%0.229SC..  trans-148.374.3-174.253.70000111C169 D174 S175C169-S172 CarbonylContact O-C 3.45Å; C169-S172 PolarHBondContact O-N 3.23Å; S172-D174 PolarHBondContact O-N 3.36Å; S172-D174 VanDerWaalsContact O-N 3.13Å; S172-S175 WeakPolarHBondContact O-CB 3.12Å; S172-S175 PolarHBondContact O-N 3.47Å
173L88.6Confident89Confident46 Ų4639.5 Ų39.524%0.24122%0.224CC..G310 helixtrans-57-32.7-171.7-62.1177.5000113.7F14 F15 C169 S175 C176F14-L173 HydrophobicContact CE1-CD1 3.98Å; F14-L173 HydrophobicContact CE1-CD2 4.1Å; F14-L173 HydrophobicContact CZ-CD1 3.87Å; F15-L173 HydrophobicContact CD1-CD2 4.07Å; F15-L173 HydrophobicContact CE1-CD2 3.81Å; C169-L173 PolarHBondContact O-N 3.34Å; L173-S175 PolarHBondContact O-N 3.27Å; L173-S175 VanDerWaalsContact O-N 3.14Å; L173-C176 VanDerWaalsContact O-CB 3.29Å; L173-C176 WeakPolarHBondContact O-CB 3.37Å; L173-C176 PolarHBondContact O-N 2.86Å; L173-C176 VanDerWaalsContact O-N 3.08Å; L173-C176 PolarHBondContact O-SG 3.07Å; L173-C176 VanDerWaalsContact O-SG 3.38Å
174D86.5Confident89.1Confident148 Ų14840 Ų4079%0.79123%0.227SC*.G310 helixtrans-64.3-18.3177-58.1-35.1000113.1S172 R185S172-D174 PolarHBondContact O-N 3.36Å; S172-D174 VanDerWaalsContact O-N 3.13Å; D174-R185 PolarHBondContact O-NH2 3.43Å
175S88.9Confident89.1Confident43 Ų4339.7 Ų39.730%0.30122%0.216SC..G310 helixtrans-94.42.9178.2-63.60000113.4S172 L173 R185S172-S175 WeakPolarHBondContact O-CB 3.12Å; S172-S175 PolarHBondContact O-N 3.47Å; L173-S175 PolarHBondContact O-N 3.27Å; L173-S175 VanDerWaalsContact O-N 3.14Å; S175-R185 WeakPolarHBondContact O-CG 3.44Å; S175-R185 PolarHBondContact O-N 3.38Å
176C89.8Confident89.1Confident12 Ų1235.4 Ų35.48%0.08120%0.2CC..BIsolated β-bridgetrans-70.7144.7-179.6-68.90000113.2V19 C169 L173V19-C176 HydrophobicContact CG2-CB 3.97Å; C169-C176 HydrophobicContact CB-CB 3.92Å; C169-C176 WeakPolarHBondContact CB-SG 3.18Å; C169-C176 WeakPolarHBondContact SG-CA 3.45Å; C169-C176 WeakPolarHBondContact SG-CB 3.37Å; C169-C176 CovalentContact SG-SG 2.03Å; C169-C176 PolarHBondContact SG-SG 3.5Å; L173-C176 VanDerWaalsContact O-CB 3.29Å; L173-C176 WeakPolarHBondContact O-CB 3.37Å; L173-C176 PolarHBondContact O-N 2.86Å; L173-C176 VanDerWaalsContact O-N 3.08Å; L173-C176 PolarHBondContact O-SG 3.07Å; L173-C176 VanDerWaalsContact O-SG 3.38Å
177S88.1Confident89.3Confident0 Ų033.3 Ų33.30%018%0.178CC..  trans-77.6143.7173.8157.50000112.2V19 M179 A180 F183 L188 D262V19-S177 WeakPolarHBondContact CG1-O 3.29Å; S177-M179 PolarHBondContact OG-N 3.35Å; S177-M179 VanDerWaalsContact OG-N 3.09Å; S177-A180 PolarHBondContact OG-N 3.06Å; S177-F183 PolarHBondContact N-O 3.07Å; S177-L188 WeakPolarHBondContact OG-CD1 3.34Å; S177-D262 WeakPolarHBondContact CB-OD2 3.44Å; S177-D262 PolarHBondContact OG-OD2 3.44Å
178K83.4Confident89.2Confident73 Ų7329 Ų2932%0.31716%0.163SC..SBendtrans-70-37.1171.5-66.8-178.8-176.7177.20112.1V19 K21 D262 E267V19-K178 HydrophobicContact CG1-CB 4.08Å; V19-K178 HydrophobicContact CG1-CG 3.9Å; K21-K178 WeakPolarHBondContact CD-O 3.46Å; K178-D262 WeakPolarHBondContact CB-OD1 3.3Å; K178-D262 PolarHBondContact N-OD1 3.05Å; K178-E267 IonicContact NZ-OE1 3.19Å; K178-E267 PolarHBondContact NZ-OE1 3.48Å
179M79.9Confident89.1Confident35 Ų3530.9 Ų30.917%0.17217%0.172CC..SBendtrans-72.4-43.7178.2-84.2-69.5171.600114.2K21 S177 V258 D262 L271 K275K21-M179 PolarHBondContact NZ-O 3.2Å; S177-M179 PolarHBondContact OG-N 3.35Å; S177-M179 VanDerWaalsContact OG-N 3.09Å; M179-V258 HydrophobicContact CE-CG1 4.16Å; M179-D262 HydrophobicContact CB-CB 4.37Å; M179-D262 HydrophobicContact CG-CB 4.02Å; M179-D262 WeakPolarHBondContact CG-OD1 3.34Å; M179-D262 PolarHBondContact N-OD1 2.99Å; M179-L271 HydrophobicContact CE-CB 3.42Å; M179-L271 VanDerWaalsContact CE-CB 3.42Å; M179-L271 HydrophobicContact CE-CD2 3.58Å; M179-L271 HydrophobicContact CE-CG 3.36Å; M179-L271 WeakPolarHBondContact CE-O 3.37Å; M179-L271 HydrophobicContact CG-CD2 4.08Å; M179-K275 HydrophobicContact CE-CB 4.2Å; M179-K275 HydrophobicContact SD-CD 4.08Å; M179-K275 HydrophobicContact SD-CG 4.33Å
180A86.9Confident89.2Confident9 Ų935 Ų357%0.07419%0.19CC..SBendtrans-12489.4-176.100000110S177 I182 F183S177-A180 PolarHBondContact OG-N 3.06Å; A180-I182 PolarHBondContact O-N 3.06Å; A180-F183 HydrophobicContact CB-CB 3.78Å; A180-F183 HydrophobicContact CB-CD2 4.03Å; A180-F183 HydrophobicContact CB-CG 3.89Å; A180-F183 WeakPolarHBondContact O-CB 3.25Å; A180-F183 PolarHBondContact O-N 2.86Å
181P81.8Confident89.2Confident0 Ų035.2 Ų35.20%019%0.191CC..THydrogen-bonded Turntrans-56.3130175-17.829.3000108M12 F15 Y16 K21 Y102M12-P181 HydrophobicContact CE-CB 4.17Å; F15-P181 HydrophobicContact CB-CB 3.89Å; Y16-P181 HydrophobicContact CD1-CG 3.96Å; Y16-P181 HydrophobicContact CD2-CG 4.34Å; Y16-P181 HydrophobicContact CE1-CG 3.87Å; Y16-P181 HydrophobicContact CE2-CG 4.27Å; Y16-P181 HydrophobicContact CG-CG 4.17Å; K21-P181 HydrophobicContact CD-CG 3.95Å; Y102-P181 WeakPolarHBondContact OH-CD 3.02Å
182I90.2Very high89.1Confident0 Ų033.5 Ų33.50%018%0.18CC..THydrogen-bonded Turntrans90-20.4-169.191.7-173.3000117.2M12 F15 I99 Y102 F103 N168 C169 I170 A180M12-I182 HydrophobicContact CE-CG2 3.9Å; M12-I182 HydrophobicContact SD-CD1 4.18Å; M12-I182 HydrophobicContact SD-CG2 3.77Å; F15-I182 HydrophobicContact CB-CG2 4.08Å; F15-I182 HydrophobicContact CD1-CG2 3.83Å; F15-I182 HydrophobicContact CD2-CG2 3.75Å; F15-I182 HydrophobicContact CE1-CG2 4.15Å; F15-I182 HydrophobicContact CE2-CG2 4.09Å; F15-I182 HydrophobicContact CG-CG2 3.6Å; F15-I182 HydrophobicContact CZ-CG2 4.27Å; I99-I182 HydrophobicContact CG2-CD1 4.26Å; Y102-I182 HydrophobicContact CD1-CD1 3.31Å; Y102-I182 HydrophobicContact CD1-CG1 3.94Å; Y102-I182 HydrophobicContact CE1-CD1 3.9Å; Y102-I182 HydrophobicContact CE1-CG1 4Å; Y102-I182 HydrophobicContact CG-CD1 4.04Å; F103-I182 HydrophobicContact CD1-CD1 3.89Å; F103-I182 HydrophobicContact CD1-CG1 4.47Å; F103-I182 HydrophobicContact CD2-CD1 4.06Å; F103-I182 HydrophobicContact CE1-CD1 3.61Å; F103-I182 HydrophobicContact CE1-CG1 3.83Å; F103-I182 HydrophobicContact CE2-CD1 3.81Å; F103-I182 HydrophobicContact CG-CD1 4.09Å; F103-I182 HydrophobicContact CZ-CD1 3.56Å; F103-I182 HydrophobicContact CZ-CG1 3.88Å; N168-I182 VanDerWaalsContact CB-O 3.31Å; N168-I182 WeakPolarHBondContact CB-O 3.2Å; C169-I182 PolarHBondContact N-O 2.88Å; C169-I182 WeakPolarHBondContact SG-CA 3.11Å; C169-I182 PolarHBondContact SG-O 3.39Å; I170-I182 HydrophobicContact CG1-CB 4.41Å; A180-I182 PolarHBondContact O-N 3.06Å
183F91.3Very high89.2Confident3 Ų333.9 Ų33.91%0.01318%0.18CC..BIsolated β-bridgetrans-84.2139.1177.2-78.5-124.7000110.1Y102 F103 Q106 P163 S177 A180 Y187 L188Y102-F183 HydrophobicContact CD1-CE2 4.36Å; Y102-F183 HydrophobicContact CE1-CD2 4.18Å; Y102-F183 AromaticContact CE1-CE2 3.89Å; Y102-F183 HydrophobicContact CE1-CE2 3.89Å; F103-F183 AromaticContact CD1-CE2 3.96Å; F103-F183 HydrophobicContact CD1-CE2 3.96Å; F103-F183 HydrophobicContact CD1-CZ 4.26Å; F103-F183 HydrophobicContact CE1-CD2 4.46Å; F103-F183 AromaticContact CE1-CE2 3.93Å; F103-F183 HydrophobicContact CE1-CE2 3.93Å; F103-F183 HydrophobicContact CE1-CZ 4.41Å; Q106-F183 HydrophobicContact CB-CE2 4.04Å; Q106-F183 HydrophobicContact CB-CZ 3.8Å; Q106-F183 HydrophobicContact CG-CE1 3.89Å; Q106-F183 HydrophobicContact CG-CE2 3.74Å; Q106-F183 HydrophobicContact CG-CZ 3.29Å; P163-F183 HydrophobicContact CB-CD1 4.23Å; P163-F183 HydrophobicContact CB-CE1 3.77Å; P163-F183 HydrophobicContact CB-CZ 3.9Å; P163-F183 HydrophobicContact CG-CD1 4.14Å; P163-F183 HydrophobicContact CG-CE1 3.55Å; P163-F183 HydrophobicContact CG-CZ 4.06Å; S177-F183 PolarHBondContact N-O 3.07Å; A180-F183 HydrophobicContact CB-CB 3.78Å; A180-F183 HydrophobicContact CB-CD2 4.03Å; A180-F183 HydrophobicContact CB-CG 3.89Å; A180-F183 WeakPolarHBondContact O-CB 3.25Å; A180-F183 PolarHBondContact O-N 2.86Å; F183-Y187 AromaticContact CD1-CD1 3.69Å; F183-Y187 HydrophobicContact CD1-CD1 3.69Å; F183-Y187 AromaticContact CD1-CE1 3.69Å; F183-Y187 HydrophobicContact CD1-CE1 3.69Å; F183-Y187 HydrophobicContact CE1-CD1 4.22Å; F183-Y187 AromaticContact CE1-CE1 3.76Å; F183-Y187 HydrophobicContact CE1-CE1 3.76Å; F183-L188 HydrophobicContact CB-CD2 4.41Å; F183-L188 HydrophobicContact CB-CG 4.41Å; F183-L188 HydrophobicContact CD1-CD2 4.1Å
184S92.6Very high89.3Confident10 Ų1033.1 Ų33.17%0.0718%0.178CC..BIsolated β-bridgetrans-73.3137.7173.2-176.80000110.1S186 Y187 L188S184-S186 PolarHBondContact O-N 2.85Å; S184-S186 PolarHBondContact OG-N 2.65Å; S184-S186 PolarHBondContact OG-OG 2.99Å; S184-Y187 PolarHBondContact O-N 3.24Å; S184-Y187 VanDerWaalsContact O-N 3.13Å; S184-L188 PolarHBondContact O-N 2.72Å
185R90.9Very high89.5Confident61 Ų6126.4 Ų26.423%0.2314%0.142CC..Hα-helixtrans-53.2-39.5171.3-72.8-177.9-66.91753.6112.2D174 S175 Y187 L188 I189 G263 N265D174-R185 PolarHBondContact O-NH2 3.43Å; S175-R185 WeakPolarHBondContact O-CG 3.44Å; S175-R185 PolarHBondContact O-N 3.38Å; R185-Y187 PolarHBondContact O-N 3.38Å; R185-L188 PolarHBondContact O-N 3.46Å; R185-I189 WeakPolarHBondContact O-CG1 3.42Å; R185-I189 PolarHBondContact O-N 2.95Å; R185-G263 WeakPolarHBondContact CB-O 3.39Å; R185-N265 VanDerWaalsContact NH1-CB 3.34Å; R185-N265 PolarHBondContact NH1-OD1 3.27Å
186S93.3Very high89.5Confident55 Ų5527.2 Ų27.239%0.38514%0.143SC..Hα-helixtrans-60.8-41.717864.30000113.1W167 S184 I189 F190W167-S186 PolarHBondContact NE1-OG 3.42Å; S184-S186 PolarHBondContact O-N 2.85Å; S184-S186 PolarHBondContact OG-N 2.65Å; S184-S186 PolarHBondContact OG-OG 2.99Å; S186-I189 PolarHBondContact O-N 3.43Å; S186-F190 PolarHBondContact O-N 3.04Å
187Y92.3Very high89.5Confident1 Ų131.8 Ų31.80%0.00417%0.165CC..Hα-helixtrans-64.7-44.6175.7171.2-95.1000110.9M159 V162 P163 W167 F183 S184 R185 I189 F190 W191M159-Y187 PolarHBondContact O-OH 2.71Å; M159-Y187 VanDerWaalsContact O-OH 3.08Å; V162-Y187 HydrophobicContact CB-CE2 4.17Å; V162-Y187 HydrophobicContact CG1-CD2 3.97Å; V162-Y187 HydrophobicContact CG1-CE2 3.76Å; P163-Y187 HydrophobicContact CG-CD1 3.96Å; P163-Y187 HydrophobicContact CG-CD2 4.1Å; P163-Y187 HydrophobicContact CG-CE1 3.43Å; P163-Y187 VanDerWaalsContact CG-CE1 3.43Å; P163-Y187 HydrophobicContact CG-CE2 3.58Å; P163-Y187 HydrophobicContact CG-CG 4.26Å; P163-Y187 WeakPolarHBondContact CG-OH 3.38Å; W167-Y187 HydrophobicContact CD2-CD2 4.1Å; W167-Y187 HydrophobicContact CE3-CD2 4.2Å; W167-Y187 HydrophobicContact CG-CD2 4.3Å; F183-Y187 AromaticContact CD1-CD1 3.69Å; F183-Y187 HydrophobicContact CD1-CD1 3.69Å; F183-Y187 AromaticContact CD1-CE1 3.69Å; F183-Y187 HydrophobicContact CD1-CE1 3.69Å; F183-Y187 HydrophobicContact CE1-CD1 4.22Å; F183-Y187 AromaticContact CE1-CE1 3.76Å; F183-Y187 HydrophobicContact CE1-CE1 3.76Å; S184-Y187 PolarHBondContact O-N 3.24Å; S184-Y187 VanDerWaalsContact O-N 3.13Å; R185-Y187 PolarHBondContact O-N 3.38Å; Y187-I189 VanDerWaalsContact C-N 3.32Å; Y187-I189 PolarHBondContact O-N 3.31Å; Y187-F190 PolarHBondContact O-N 2.7Å; Y187-W191 HydrophobicContact CE1-CB 4.4Å; Y187-W191 HydrophobicContact CE2-CE3 4.47Å; Y187-W191 AromaticContact CZ-CE3 3.89Å; Y187-W191 VanDerWaalsContact O-CB 3.29Å; Y187-W191 WeakPolarHBondContact O-CB 3.32Å; Y187-W191 PolarHBondContact O-N 3.37Å; Y187-W191 VanDerWaalsContact OH-CE3 3.3Å; Y187-W191 WeakPolarHBondContact OH-CZ3 3.43Å
188L90.6Very high89.6Confident12 Ų1234.1 Ų34.16%0.06318%0.177CC..Hα-helixtrans-63.6-37178.6-66.9-175000112.7S177 F183 S184 R185 S192S177-L188 WeakPolarHBondContact OG-CD1 3.34Å; F183-L188 HydrophobicContact CB-CD2 4.41Å; F183-L188 HydrophobicContact CB-CG 4.41Å; F183-L188 HydrophobicContact CD1-CD2 4.1Å; S184-L188 PolarHBondContact O-N 2.72Å; R185-L188 PolarHBondContact O-N 3.46Å; L188-S192 VanDerWaalsContact O-CB 3.22Å; L188-S192 WeakPolarHBondContact O-CB 3.29Å; L188-S192 PolarHBondContact O-N 2.93Å; L188-S192 PolarHBondContact O-OG 2.91Å
189I92Very high89.7Confident53 Ų5330.8 Ų30.827%0.27216%0.163SC..Hα-helixtrans-62.4-53172.9-66.9167.5000109.7R185 S186 Y187 W191 S192 V193 L260 L264R185-I189 WeakPolarHBondContact O-CG1 3.42Å; R185-I189 PolarHBondContact O-N 2.95Å; S186-I189 PolarHBondContact O-N 3.43Å; Y187-I189 VanDerWaalsContact C-N 3.32Å; Y187-I189 PolarHBondContact O-N 3.31Å; I189-W191 VanDerWaalsContact C-N 3.32Å; I189-W191 PolarHBondContact O-N 3.34Å; I189-S192 PolarHBondContact O-N 3.45Å; I189-V193 HydrophobicContact CG2-CG2 4.14Å; I189-V193 WeakPolarHBondContact O-CB 3.27Å; I189-V193 VanDerWaalsContact O-CG2 3.27Å; I189-V193 WeakPolarHBondContact O-CG2 3.48Å; I189-V193 PolarHBondContact O-N 3.24Å; I189-L260 HydrophobicContact CG1-CD1 4.42Å; I189-L260 HydrophobicContact CG2-CD1 4.12Å; I189-L264 HydrophobicContact CD1-CD2 4.13Å
190F93.4Very high90.1Very high88 Ų8833.6 Ų33.639%0.38618%0.182SC..Hα-helixtrans-56.3-47.3179.3167-103.8000111.8M159 W167 S186 Y187 S194M159-F190 HydrophobicContact CE-CE1 3.58Å; M159-F190 HydrophobicContact CE-CZ 4.06Å; M159-F190 HydrophobicContact SD-CE1 4.3Å; W167-F190 HydrophobicContact CH2-CB 4.08Å; W167-F190 AromaticContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD2 4.4Å; W167-F190 HydrophobicContact CH2-CE1 4.47Å; W167-F190 AromaticContact CH2-CG 3.87Å; W167-F190 HydrophobicContact CH2-CG 3.87Å; W167-F190 HydrophobicContact CZ2-CB 4.34Å; W167-F190 HydrophobicContact CZ3-CD1 4.04Å; W167-F190 HydrophobicContact CZ3-CE1 4.26Å; W167-F190 HydrophobicContact CZ3-CG 4.44Å; S186-F190 PolarHBondContact O-N 3.04Å; Y187-F190 PolarHBondContact O-N 2.7Å; F190-S194 VanDerWaalsContact O-CB 3.28Å; F190-S194 WeakPolarHBondContact O-CB 3.31Å; F190-S194 PolarHBondContact O-N 3.31Å; F190-S194 PolarHBondContact O-OG 3.2Å
191W91.2Very high90.2Very high4 Ų435.1 Ų35.12%0.01519%0.194CC..Hα-helixtrans-59.5-50.4176.2-178.7-94.5000112D110 L113 S114 M159 Y187 I189 V193 S194 N195D110-W191 HydrophobicContact CB-CH2 3.72Å; D110-W191 HydrophobicContact CB-CZ2 3.94Å; D110-W191 WeakPolarHBondContact O-CH2 3.42Å; L113-W191 HydrophobicContact CD2-CZ2 4.47Å; S114-W191 WeakPolarHBondContact OG-CH2 3.27Å; S114-W191 WeakPolarHBondContact OG-CZ2 3.47Å; M159-W191 HydrophobicContact CB-CH2 4.5Å; M159-W191 HydrophobicContact CB-CZ3 3.81Å; M159-W191 HydrophobicContact CE-CE3 4.07Å; M159-W191 HydrophobicContact CE-CZ3 4.19Å; Y187-W191 HydrophobicContact CE1-CB 4.4Å; Y187-W191 HydrophobicContact CE2-CE3 4.47Å; Y187-W191 AromaticContact CZ-CE3 3.89Å; Y187-W191 VanDerWaalsContact O-CB 3.29Å; Y187-W191 WeakPolarHBondContact O-CB 3.32Å; Y187-W191 PolarHBondContact O-N 3.37Å; Y187-W191 VanDerWaalsContact OH-CE3 3.3Å; Y187-W191 WeakPolarHBondContact OH-CZ3 3.43Å; I189-W191 VanDerWaalsContact C-N 3.32Å; I189-W191 PolarHBondContact O-N 3.34Å; W191-V193 PolarHBondContact O-N 3.5Å; W191-S194 PolarHBondContact O-OG 2.86Å; W191-N195 VanDerWaalsContact CE2-ND2 3.3Å; W191-N195 PolarHBondContact NE1-ND2 2.68Å; W191-N195 WeakPolarHBondContact O-CB 3.47Å; W191-N195 PolarHBondContact O-N 3.36Å; W191-N195 VanDerWaalsContact O-N 3.07Å; W191-N195 PolarHBondContact O-ND2 3.44Å
192S90Very high90.4Very high1 Ų135.2 Ų35.21%0.00720%0.195CC..Hα-helixtrans-66.7-42.5-176-56.80000111.6L188 I189 L196 M259 L260L188-S192 VanDerWaalsContact O-CB 3.22Å; L188-S192 WeakPolarHBondContact O-CB 3.29Å; L188-S192 PolarHBondContact O-N 2.93Å; L188-S192 PolarHBondContact O-OG 2.91Å; I189-S192 PolarHBondContact O-N 3.45Å; S192-L196 WeakPolarHBondContact O-CB 3.45Å; S192-L196 PolarHBondContact O-N 3.47Å; S192-M259 WeakPolarHBondContact OG-CB 3.08Å; S192-L260 PolarHBondContact OG-N 3.06Å
193V91.6Very high90.1Very high58 Ų5838.3 Ų38.335%0.35221%0.213SC..Hα-helixtrans-66.4-46.1178.3172.10000111.2I189 W191 N195 L196 I197 L260I189-V193 HydrophobicContact CG2-CG2 4.14Å; I189-V193 WeakPolarHBondContact O-CB 3.27Å; I189-V193 VanDerWaalsContact O-CG2 3.27Å; I189-V193 WeakPolarHBondContact O-CG2 3.48Å; I189-V193 PolarHBondContact O-N 3.24Å; W191-V193 PolarHBondContact O-N 3.5Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.36Å; V193-L196 PolarHBondContact O-N 2.68Å; V193-I197 HydrophobicContact CG1-CD1 3.94Å; V193-I197 HydrophobicContact CG1-CG1 4.47Å; V193-I197 VanDerWaalsContact O-CG1 3.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.18Å; V193-I197 PolarHBondContact O-N 3.01Å; V193-L260 HydrophobicContact CG2-CD1 3.88Å
194S91.4Very high90Very high30 Ų3040.6 Ų40.621%0.2123%0.233CC..Hα-helixtrans-60.7-42.7178.557.30000111.9F190 W191 I197 I198F190-S194 VanDerWaalsContact O-CB 3.28Å; F190-S194 WeakPolarHBondContact O-CB 3.31Å; F190-S194 PolarHBondContact O-N 3.31Å; F190-S194 PolarHBondContact O-OG 3.2Å; W191-S194 PolarHBondContact O-OG 2.86Å; S194-I197 PolarHBondContact O-N 2.99Å; S194-I198 WeakPolarHBondContact O-CG1 3.29Å; S194-I198 PolarHBondContact O-N 3.29Å; S194-I198 VanDerWaalsContact O-N 3.17Å
195N88.9Confident89.6Confident7 Ų741.4 Ų41.44%0.03724%0.236CC..Hα-helixtrans-67.3-36.8175.1-75-67000112.8L117 W191 V193 I198 F199 L256L117-N195 HydrophobicContact CD1-CB 4.31Å; L117-N195 WeakPolarHBondContact CD1-OD1 3.35Å; W191-N195 VanDerWaalsContact CE2-ND2 3.3Å; W191-N195 PolarHBondContact NE1-ND2 2.68Å; W191-N195 WeakPolarHBondContact O-CB 3.47Å; W191-N195 PolarHBondContact O-N 3.36Å; W191-N195 VanDerWaalsContact O-N 3.07Å; W191-N195 PolarHBondContact O-ND2 3.44Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.36Å; N195-I198 WeakPolarHBondContact O-CB 3.19Å; N195-I198 PolarHBondContact O-N 3.45Å; N195-F199 PolarHBondContact O-N 2.93Å; N195-L256 HydrophobicContact CB-CD1 3.72Å; N195-L256 HydrophobicContact CB-CD2 3.84Å; N195-L256 HydrophobicContact CB-CG 4.47Å
196L89.2Confident89.1Confident60 Ų6039.5 Ų39.531%0.31423%0.229SC..Hα-helixtrans-64.6-39.5175-173.966.2000111.8S192 V193 I198 F199 V200S192-L196 WeakPolarHBondContact O-CB 3.45Å; S192-L196 PolarHBondContact O-N 3.47Å; V193-L196 PolarHBondContact O-N 2.68Å; L196-I198 VanDerWaalsContact C-N 3.3Å; L196-I198 PolarHBondContact O-N 3.07Å; L196-F199 WeakPolarHBondContact O-CB 3.3Å; L196-F199 PolarHBondContact O-N 2.89Å; L196-F199 VanDerWaalsContact O-N 3.16Å; L196-V200 WeakPolarHBondContact O-CG2 3.21Å; L196-V200 PolarHBondContact O-N 2.85Å
197I91.3Very high88.7Confident107 Ų10742.6 Ų42.655%0.54924%0.239SC..Hα-helixtrans-60-43.3174.3-69.9165.7000110.3V193 S194 F199 V200 A201V193-I197 HydrophobicContact CG1-CD1 3.94Å; V193-I197 HydrophobicContact CG1-CG1 4.47Å; V193-I197 VanDerWaalsContact O-CG1 3.32Å; V193-I197 WeakPolarHBondContact O-CG1 3.18Å; V193-I197 PolarHBondContact O-N 3.01Å; S194-I197 PolarHBondContact O-N 2.99Å; I197-F199 VanDerWaalsContact C-N 3.31Å; I197-F199 PolarHBondContact O-N 2.95Å; I197-V200 PolarHBondContact O-N 2.9Å; I197-A201 WeakPolarHBondContact O-CB 3.38Å; I197-A201 PolarHBondContact O-N 3.37Å
198I88.6Confident88.4Confident49 Ų4951.3 Ų51.325%0.25127%0.272SS..Hα-helixtrans-61-41.2175.9-66.1168.1000110.7L121 S194 N195 L196 A201 M202L121-I198 HydrophobicContact CB-CG2 4.4Å; L121-I198 HydrophobicContact CD2-CG2 4.27Å; S194-I198 WeakPolarHBondContact O-CG1 3.29Å; S194-I198 PolarHBondContact O-N 3.29Å; S194-I198 VanDerWaalsContact O-N 3.17Å; N195-I198 WeakPolarHBondContact O-CB 3.19Å; N195-I198 PolarHBondContact O-N 3.45Å; L196-I198 VanDerWaalsContact C-N 3.3Å; L196-I198 PolarHBondContact O-N 3.07Å; I198-A201 PolarHBondContact O-N 3.48Å; I198-M202 HydrophobicContact CG2-CE 4.16Å; I198-M202 WeakPolarHBondContact O-CG 2.86Å; I198-M202 PolarHBondContact O-N 2.96Å
199F85.8Confident88Confident4 Ų451 Ų512%0.01827%0.27CS..Hα-helixtrans-62.3-46.9173.6-77.3-18.4000113.7L117 N195 L196 I197 A201 M202 V203 F248 V249 W252 L256L117-F199 HydrophobicContact CD2-CD1 4.05Å; L117-F199 HydrophobicContact CD2-CE1 3.16Å; L117-F199 HydrophobicContact CD2-CZ 3.6Å; N195-F199 PolarHBondContact O-N 2.93Å; L196-F199 WeakPolarHBondContact O-CB 3.3Å; L196-F199 PolarHBondContact O-N 2.89Å; L196-F199 VanDerWaalsContact O-N 3.16Å; I197-F199 VanDerWaalsContact C-N 3.31Å; I197-F199 PolarHBondContact O-N 2.95Å; F199-A201 VanDerWaalsContact C-N 3.28Å; F199-A201 PolarHBondContact O-N 3.29Å; F199-M202 HydrophobicContact CD1-CE 3.41Å; F199-M202 VanDerWaalsContact CD1-CE 3.41Å; F199-M202 HydrophobicContact CE1-CE 3.75Å; F199-M202 PolarHBondContact O-N 3.21Å; F199-V203 WeakPolarHBondContact O-CG2 3.39Å; F199-V203 PolarHBondContact O-N 3.42Å; F199-F248 AromaticContact CE1-CD1 3.66Å; F199-F248 HydrophobicContact CE1-CD1 3.66Å; F199-F248 AromaticContact CE1-CE1 3.47Å; F199-F248 HydrophobicContact CE1-CE1 3.47Å; F199-F248 VanDerWaalsContact CE1-CE1 3.47Å; F199-F248 AromaticContact CZ-CD1 3.97Å; F199-F248 HydrophobicContact CZ-CD1 3.97Å; F199-F248 AromaticContact CZ-CE1 3.61Å; F199-F248 HydrophobicContact CZ-CE1 3.61Å; F199-V249 HydrophobicContact CD1-CG2 3.99Å; F199-V249 HydrophobicContact CE1-CG2 4.34Å; F199-V249 HydrophobicContact CG-CG1 4.46Å; F199-V249 HydrophobicContact CG-CG2 4.37Å; F199-W252 HydrophobicContact CE2-CB 3.63Å; F199-W252 HydrophobicContact CZ-CB 3.37Å; F199-W252 HydrophobicContact CZ-CG 4.22Å; F199-L256 HydrophobicContact CD2-CD1 3.47Å; F199-L256 VanDerWaalsContact CD2-CD1 3.47Å; F199-L256 HydrophobicContact CE2-CD1 3.26Å; F199-L256 HydrophobicContact CE2-CG 4.09Å; F199-L256 HydrophobicContact CZ-CD1 4.2Å
200V88.1Confident87.4Confident94 Ų9453.5 Ų53.557%0.5728%0.277SS*.Hα-helixtrans-60.1-42.6177.2172.80000110.3L196 I197 V203 A204L196-V200 WeakPolarHBondContact O-CG2 3.21Å; L196-V200 PolarHBondContact O-N 2.85Å; I197-V200 PolarHBondContact O-N 2.9Å; V200-V203 PolarHBondContact O-N 3.28Å; V200-A204 VanDerWaalsContact O-CB 3.32Å; V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.46Å
201A89Confident86.9Confident40 Ų4051.1 Ų51.133%0.33127%0.274SS..Hα-helixtrans-60.9-46.3175.800000112I197 I198 F199 A204 I205I197-A201 WeakPolarHBondContact O-CB 3.38Å; I197-A201 PolarHBondContact O-N 3.37Å; I198-A201 PolarHBondContact O-N 3.48Å; F199-A201 VanDerWaalsContact C-N 3.28Å; F199-A201 PolarHBondContact O-N 3.29Å; A201-A204 PolarHBondContact O-N 3.32Å; A201-I205 VanDerWaalsContact O-CG1 3.28Å; A201-I205 WeakPolarHBondContact O-CG1 3.42Å; A201-I205 PolarHBondContact O-N 3.02Å
202M85.8Confident86.5Confident2 Ų254.3 Ų54.31%0.0129%0.286CS..Hα-helixtrans-60.5-47.8176.2-76-162-69.600111.9L117 L120 L121 A124 I198 F199 A204 I205 Y206L117-M202 HydrophobicContact CD2-CE 4.42Å; L120-M202 HydrophobicContact CB-SD 3.89Å; L121-M202 HydrophobicContact CB-CG 4.38Å; L121-M202 HydrophobicContact CB-SD 4.28Å; L121-M202 HydrophobicContact CD1-CG 3.8Å; A124-M202 HydrophobicContact CB-CG 4.4Å; I198-M202 HydrophobicContact CG2-CE 4.16Å; I198-M202 WeakPolarHBondContact O-CG 2.86Å; I198-M202 PolarHBondContact O-N 2.96Å; F199-M202 HydrophobicContact CD1-CE 3.41Å; F199-M202 VanDerWaalsContact CD1-CE 3.41Å; F199-M202 HydrophobicContact CE1-CE 3.75Å; F199-M202 PolarHBondContact O-N 3.21Å; M202-A204 VanDerWaalsContact C-N 3.33Å; M202-A204 PolarHBondContact O-N 3.05Å; M202-I205 PolarHBondContact O-N 2.89Å; M202-Y206 HydrophobicContact CB-CE2 3.99Å; M202-Y206 WeakPolarHBondContact O-CD2 3.29Å; M202-Y206 WeakPolarHBondContact O-CE2 3.43Å; M202-Y206 PolarHBondContact O-N 3.44Å
203V85.1Confident85.8Confident65 Ų6555.2 Ų55.239%0.39429%0.291SS..Hα-helixtrans-59.6-44.6176.91720000110.8F199 V200 I205 Y206 M207 V249F199-V203 WeakPolarHBondContact O-CG2 3.39Å; F199-V203 PolarHBondContact O-N 3.42Å; V200-V203 PolarHBondContact O-N 3.28Å; V203-I205 PolarHBondContact O-N 2.89Å; V203-Y206 PolarHBondContact O-N 3.38Å; V203-M207 HydrophobicContact CG1-CG 4.15Å; V203-M207 WeakPolarHBondContact O-CB 3.31Å; V203-M207 VanDerWaalsContact O-CG 3.29Å; V203-M207 WeakPolarHBondContact O-CG 3.29Å; V203-M207 PolarHBondContact O-N 3.03Å; V203-V249 HydrophobicContact CG2-CG1 4.12Å; V203-V249 HydrophobicContact CG2-CG2 4.26Å
204A88.4Confident85.1Confident51 Ų5158.3 Ų58.342%0.42130%0.3SS..Hα-helixtrans-60.4-44.3177.700000112V200 A201 M202 Y206 M207 R208V200-A204 VanDerWaalsContact O-CB 3.32Å; V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.46Å; A201-A204 PolarHBondContact O-N 3.32Å; M202-A204 VanDerWaalsContact C-N 3.33Å; M202-A204 PolarHBondContact O-N 3.05Å; A204-Y206 PolarHBondContact O-N 3.25Å; A204-M207 PolarHBondContact O-N 3.44Å; A204-R208 WeakPolarHBondContact O-CB 3.12Å; A204-R208 WeakPolarHBondContact O-CG 3.37Å; A204-R208 PolarHBondContact O-N 3.4Å
205I85.6Confident84.6Confident28 Ų2865.6 Ų65.614%0.14432%0.323CS..Hα-helixtrans-58.8-46.8174.6-69.8164.4000110.2L121 A124 L125 Y128 A201 M202 V203 R208 I209L121-I205 HydrophobicContact CD1-CD1 4.37Å; A124-I205 HydrophobicContact CB-CG2 4.46Å; L125-I205 HydrophobicContact CD2-CD1 3.73Å; L125-I205 HydrophobicContact CG-CD1 4.34Å; Y128-I205 HydrophobicContact CD2-CG2 4.09Å; Y128-I205 HydrophobicContact CG-CG2 4.23Å; A201-I205 VanDerWaalsContact O-CG1 3.28Å; A201-I205 WeakPolarHBondContact O-CG1 3.42Å; A201-I205 PolarHBondContact O-N 3.02Å; M202-I205 PolarHBondContact O-N 2.89Å; V203-I205 PolarHBondContact O-N 2.89Å; I205-R208 WeakPolarHBondContact O-CB 3.18Å; I205-R208 PolarHBondContact O-N 3.34Å; I205-I209 HydrophobicContact CG2-CD1 3.83Å; I205-I209 HydrophobicContact CG2-CG1 4.48Å; I205-I209 VanDerWaalsContact O-CG1 3.31Å; I205-I209 WeakPolarHBondContact O-CG1 3.24Å; I205-I209 PolarHBondContact O-N 2.81Å
206Y80.4Confident83.9Confident21 Ų2168.9 Ų68.98%0.08234%0.337CS..Hα-helixtrans-67.5-40179.7-65-49.8000113.5A124 M202 V203 A204 R208 I209 Y210 M242 L245A124-Y206 WeakPolarHBondContact CA-OH 3.19Å; A124-Y206 HydrophobicContact CB-CE1 4.1Å; A124-Y206 HydrophobicContact CB-CE2 4.49Å; A124-Y206 WeakPolarHBondContact CB-OH 3.22Å; M202-Y206 HydrophobicContact CB-CE2 3.99Å; M202-Y206 WeakPolarHBondContact O-CD2 3.29Å; M202-Y206 WeakPolarHBondContact O-CE2 3.43Å; M202-Y206 PolarHBondContact O-N 3.44Å; V203-Y206 PolarHBondContact O-N 3.38Å; A204-Y206 PolarHBondContact O-N 3.25Å; Y206-R208 VanDerWaalsContact C-N 3.26Å; Y206-R208 PolarHBondContact O-N 3.41Å; Y206-I209 HydrophobicContact CD1-CD1 4.22Å; Y206-I209 PolarHBondContact O-N 3.44Å; Y206-Y210 WeakPolarHBondContact O-CB 2.96Å; Y206-Y210 PolarHBondContact O-N 3.42Å; Y206-M242 HydrophobicContact CD1-CG 4.35Å; Y206-L245 HydrophobicContact CD2-CB 4.37Å; Y206-L245 HydrophobicContact CE1-CB 4.34Å; Y206-L245 HydrophobicContact CE1-CD1 3.62Å; Y206-L245 HydrophobicContact CE1-CG 4.48Å; Y206-L245 HydrophobicContact CE2-CB 3.53Å; Y206-L245 HydrophobicContact CE2-CD1 4.27Å; Y206-L245 HydrophobicContact CE2-CG 4.28Å; Y206-L245 WeakPolarHBondContact OH-CD1 3.49Å; Y206-L245 VanDerWaalsContact OH-CD2 3.29Å; Y206-L245 WeakPolarHBondContact OH-CD2 3.29Å; Y206-L245 WeakPolarHBondContact OH-CG 3.35Å
207M83.6Confident82.9Confident120 Ų12067.9 Ų67.959%0.59133%0.334SS*.Hα-helixtrans-61.3-39.2175.1-71.7-59.5-71.800110.9V203 A204 A211V203-M207 HydrophobicContact CG1-CG 4.15Å; V203-M207 WeakPolarHBondContact O-CB 3.31Å; V203-M207 VanDerWaalsContact O-CG 3.29Å; V203-M207 WeakPolarHBondContact O-CG 3.29Å; V203-M207 PolarHBondContact O-N 3.03Å; A204-M207 PolarHBondContact O-N 3.44Å; M207-A211 VanDerWaalsContact O-CB 3.23Å; M207-A211 WeakPolarHBondContact O-CB 3.49Å; M207-A211 PolarHBondContact O-N 3.19Å
208R87.1Confident81.9Confident184 Ų18467.2 Ų67.269%0.69434%0.335SS*.Hα-helixtrans-64.3-46.1173.5-70.4-76.5-174.6172.20.7112A204 I205 Y206 Y212A204-R208 WeakPolarHBondContact O-CB 3.12Å; A204-R208 WeakPolarHBondContact O-CG 3.37Å; A204-R208 PolarHBondContact O-N 3.4Å; I205-R208 WeakPolarHBondContact O-CB 3.18Å; I205-R208 PolarHBondContact O-N 3.34Å; Y206-R208 VanDerWaalsContact C-N 3.26Å; Y206-R208 PolarHBondContact O-N 3.41Å; R208-Y212 VanDerWaalsContact O-CB 3.3Å; R208-Y212 WeakPolarHBondContact O-CB 3.48Å; R208-Y212 PolarHBondContact O-N 2.98Å
209I81.5Confident81.1Confident4 Ų471.4 Ų71.42%0.02136%0.355CS..Hα-helixtrans-60-49.8176.3-68.1167.3000110.3Y128 V131 M132 I205 Y206 A211 Y212 V213 I238Y128-I209 HydrophobicContact CD2-CD1 4.35Å; Y128-I209 HydrophobicContact CD2-CG1 3.92Å; V131-I209 HydrophobicContact CG1-CG2 4.31Å; M132-I209 HydrophobicContact CE-CG1 4.31Å; I205-I209 HydrophobicContact CG2-CD1 3.83Å; I205-I209 HydrophobicContact CG2-CG1 4.48Å; I205-I209 VanDerWaalsContact O-CG1 3.31Å; I205-I209 WeakPolarHBondContact O-CG1 3.24Å; I205-I209 PolarHBondContact O-N 2.81Å; Y206-I209 HydrophobicContact CD1-CD1 4.22Å; Y206-I209 PolarHBondContact O-N 3.44Å; I209-A211 PolarHBondContact O-N 2.83Å; I209-Y212 PolarHBondContact O-N 2.92Å; I209-V213 HydrophobicContact CG2-CG2 4.32Å; I209-V213 WeakPolarHBondContact O-CB 3.32Å; I209-V213 VanDerWaalsContact O-CG2 3.3Å; I209-V213 WeakPolarHBondContact O-CG2 3.3Å; I209-V213 PolarHBondContact O-N 2.87Å; I209-I238 HydrophobicContact CG2-CG2 4.14Å
210Y79.6Confident80.1Confident107 Ų10774.4 Ų74.442%0.4237%0.371SS..Hα-helixtrans-60.8-47.3-179.3179.4-107000111.8Y206 Y212 V213 K214 M242Y206-Y210 WeakPolarHBondContact O-CB 2.96Å; Y206-Y210 PolarHBondContact O-N 3.42Å; Y210-Y212 PolarHBondContact O-N 3.26Å; Y210-V213 PolarHBondContact O-N 3.23Å; Y210-K214 HydrophobicContact CE1-CD 4.37Å; Y210-K214 VanDerWaalsContact O-CB 3.3Å; Y210-K214 WeakPolarHBondContact O-CB 3.41Å; Y210-K214 PolarHBondContact O-N 3.23Å; Y210-M242 HydrophobicContact CD2-CE 3.87Å; Y210-M242 HydrophobicContact CD2-SD 4.18Å
211A83.6Confident78.7Confident38 Ų3875.9 Ų75.931%0.31437%0.373SS..Hα-helixtrans-61.3-43.4177.300000111.7M207 I209 K214 R215M207-A211 VanDerWaalsContact O-CB 3.23Å; M207-A211 WeakPolarHBondContact O-CB 3.49Å; M207-A211 PolarHBondContact O-N 3.19Å; I209-A211 PolarHBondContact O-N 2.83Å; A211-K214 PolarHBondContact O-N 3.36Å; A211-R215 WeakPolarHBondContact O-CB 3.33Å; A211-R215 VanDerWaalsContact O-CG 3.25Å; A211-R215 WeakPolarHBondContact O-CG 2.75Å; A211-R215 PolarHBondContact O-N 3.02Å
212Y82.4Confident77.2Confident70 Ų7077.9 Ų77.928%0.27538%0.384SS..Hα-helixtrans-61.4-50176.7179-95.1000111.9V131 M132 W134 R208 I209 Y210 K214 R215 K216V131-Y212 HydrophobicContact CG1-CD1 4.37Å; M132-Y212 HydrophobicContact CE-CD1 4.31Å; M132-Y212 HydrophobicContact CE-CD2 4.39Å; M132-Y212 HydrophobicContact CE-CG 3.88Å; M132-Y212 HydrophobicContact SD-CD1 3.5Å; M132-Y212 VanDerWaalsContact SD-CD1 3.5Å; M132-Y212 HydrophobicContact SD-CD2 3.88Å; M132-Y212 HydrophobicContact SD-CE1 3.88Å; M132-Y212 HydrophobicContact SD-CE2 4.21Å; M132-Y212 HydrophobicContact SD-CG 3.5Å; M132-Y212 VanDerWaalsContact SD-CG 3.5Å; W134-Y212 AromaticContact NE1-CE1 3.78Å; W134-Y212 AromaticContact NE1-CZ 3.76Å; W134-Y212 PolarHBondContact NE1-OH 3.04Å; R208-Y212 VanDerWaalsContact O-CB 3.3Å; R208-Y212 WeakPolarHBondContact O-CB 3.48Å; R208-Y212 PolarHBondContact O-N 2.98Å; I209-Y212 PolarHBondContact O-N 2.92Å; Y210-Y212 PolarHBondContact O-N 3.26Å; Y212-K214 PolarHBondContact O-N 2.77Å; Y212-R215 PolarHBondContact O-N 2.7Å; Y212-K216 HydrophobicContact CE1-CG 4.15Å; Y212-K216 WeakPolarHBondContact O-CB 3.36Å; Y212-K216 PolarHBondContact O-N 3.5Å
213V75.1Confident75.9Confident20 Ų2085.5 Ų85.512%0.12142%0.42CS..Hα-helixtrans-62.4-43179.4172.20000110.9V131 I209 Y210 T217 I235 I238V131-V213 HydrophobicContact CG1-CG2 4.05Å; I209-V213 HydrophobicContact CG2-CG2 4.32Å; I209-V213 WeakPolarHBondContact O-CB 3.32Å; I209-V213 VanDerWaalsContact O-CG2 3.3Å; I209-V213 WeakPolarHBondContact O-CG2 3.3Å; I209-V213 PolarHBondContact O-N 2.87Å; Y210-V213 PolarHBondContact O-N 3.23Å; V213-T217 VanDerWaalsContact O-CB 3.25Å; V213-T217 WeakPolarHBondContact O-CB 3.34Å; V213-T217 PolarHBondContact O-N 2.98Å; V213-T217 PolarHBondContact O-OG1 3.43Å; V213-I235 HydrophobicContact CG1-CG1 4.18Å; V213-I235 HydrophobicContact CG1-CG2 4.46Å; V213-I238 HydrophobicContact CG2-CD1 4.12Å
214K77.5Confident74.5Confident124 Ų12485.9 Ų85.954%0.53942%0.422SS..Hα-helixtrans-60.6-49.9177.3-172.9176.6179.7-176.70110.9Y210 A211 Y212 T217 T218Y210-K214 HydrophobicContact CE1-CD 4.37Å; Y210-K214 VanDerWaalsContact O-CB 3.3Å; Y210-K214 WeakPolarHBondContact O-CB 3.41Å; Y210-K214 PolarHBondContact O-N 3.23Å; A211-K214 PolarHBondContact O-N 3.36Å; Y212-K214 PolarHBondContact O-N 2.77Å; K214-T217 PolarHBondContact O-N 3.25Å; K214-T218 WeakPolarHBondContact O-CB 3.09Å; K214-T218 PolarHBondContact O-N 3.42Å; K214-T218 PolarHBondContact O-OG1 3.04Å
215R80.3Confident72.9Confident182 Ų18288.8 Ų88.869%0.68744%0.44SS*.Hα-helixtrans-58.1-50.7178-72.8174.3-175.5-174.40.8112A211 Y212 T217 T218 M219A211-R215 WeakPolarHBondContact O-CB 3.33Å; A211-R215 VanDerWaalsContact O-CG 3.25Å; A211-R215 WeakPolarHBondContact O-CG 2.75Å; A211-R215 PolarHBondContact O-N 3.02Å; Y212-R215 PolarHBondContact O-N 2.7Å; R215-T217 VanDerWaalsContact C-N 3.35Å; R215-T217 PolarHBondContact O-N 3.38Å; R215-T218 PolarHBondContact O-N 2.99Å; R215-M219 WeakPolarHBondContact O-CG 3.26Å; R215-M219 PolarHBondContact O-N 3.27Å
216K74.3Confident71.3Confident76 Ų7692.2 Ų92.233%0.3347%0.466SS..Hα-helixtrans-61.2-40.9177.4-94.3-86.3-166.4159.60112.3W134 Y212 M219 L220W134-K216 HydrophobicContact CH2-CD 4.49Å; W134-K216 HydrophobicContact CZ2-CB 4.36Å; W134-K216 HydrophobicContact CZ2-CD 3.65Å; W134-K216 HydrophobicContact CZ2-CG 4.03Å; Y212-K216 HydrophobicContact CE1-CG 4.15Å; Y212-K216 WeakPolarHBondContact O-CB 3.36Å; Y212-K216 PolarHBondContact O-N 3.5Å; K216-M219 PolarHBondContact O-N 3.14Å; K216-L220 HydrophobicContact CD-CD1 4.01Å; K216-L220 WeakPolarHBondContact O-CB 3.14Å; K216-L220 WeakPolarHBondContact O-CD1 3.32Å; K216-L220 PolarHBondContact O-N 2.93Å
217T68.8Low70.2Confident40 Ų4093.2 Ų93.225%0.24548%0.476CS..Hα-helixtrans-67-44.3179.6-55.60000111.1V213 K214 R215 M219 L220 M221 I235V213-T217 VanDerWaalsContact O-CB 3.25Å; V213-T217 WeakPolarHBondContact O-CB 3.34Å; V213-T217 PolarHBondContact O-N 2.98Å; V213-T217 PolarHBondContact O-OG1 3.43Å; K214-T217 PolarHBondContact O-N 3.25Å; R215-T217 VanDerWaalsContact C-N 3.35Å; R215-T217 PolarHBondContact O-N 3.38Å; T217-M219 PolarHBondContact O-N 3.3Å; T217-L220 PolarHBondContact O-N 3.29Å; T217-M221 HydrophobicContact CG2-CG 4.42Å; T217-M221 HydrophobicContact CG2-SD 3.98Å; T217-M221 WeakPolarHBondContact O-CB 3.28Å; T217-M221 VanDerWaalsContact O-CG 3.25Å; T217-M221 WeakPolarHBondContact O-CG 3.13Å; T217-M221 PolarHBondContact O-N 3.22Å; T217-I235 HydrophobicContact CG2-CD1 3.82Å; T217-I235 WeakPolarHBondContact OG1-CD1 3.43Å
218T69.9Low69Low93 Ų9391.2 Ų91.257%0.57147%0.467SS*.Hα-helixtrans-61.1-42.1176.1-59.10000111.7K214 R215 M221K214-T218 WeakPolarHBondContact O-CB 3.09Å; K214-T218 PolarHBondContact O-N 3.42Å; K214-T218 PolarHBondContact O-OG1 3.04Å; R215-T218 PolarHBondContact O-N 2.99Å; T218-M221 PolarHBondContact O-N 3.39Å
219M70.6Confident67.5Low137 Ų13788.5 Ų88.568%0.67547%0.467SS*.Hα-helixtrans-67.5-39.6175.9-71.4178.7172.500113.2R215 K216 T217 M221 S222R215-M219 WeakPolarHBondContact O-CG 3.26Å; R215-M219 PolarHBondContact O-N 3.27Å; K216-M219 PolarHBondContact O-N 3.14Å; T217-M219 PolarHBondContact O-N 3.3Å; M219-M221 VanDerWaalsContact C-N 3.32Å; M219-M221 PolarHBondContact O-N 2.99Å; M219-S222 PolarHBondContact O-OG 3.4Å
220L65.3Low66.1Low67 Ų6797.9 Ų97.935%0.35150%0.502SS..Hα-helixtrans-73.2-22.1179.3-9688.7000113.6K216 T217 S222 K231K216-L220 HydrophobicContact CD-CD1 4.01Å; K216-L220 WeakPolarHBondContact O-CB 3.14Å; K216-L220 WeakPolarHBondContact O-CD1 3.32Å; K216-L220 PolarHBondContact O-N 2.93Å; T217-L220 PolarHBondContact O-N 3.29Å; L220-S222 VanDerWaalsContact C-N 3.33Å; L220-K231 HydrophobicContact CD2-CD 4.11Å
221M59.6Low64.9Low125 Ų12596.9 Ų96.962%0.61650%0.499SS*.Hα-helixtrans-76.4-18.1178.5-76.2-179.471.200113.1T217 T218 M219T217-M221 HydrophobicContact CG2-CG 4.42Å; T217-M221 HydrophobicContact CG2-SD 3.98Å; T217-M221 WeakPolarHBondContact O-CB 3.28Å; T217-M221 VanDerWaalsContact O-CG 3.25Å; T217-M221 WeakPolarHBondContact O-CG 3.13Å; T217-M221 PolarHBondContact O-N 3.22Å; T218-M221 PolarHBondContact O-N 3.39Å; M219-M221 VanDerWaalsContact C-N 3.32Å; M219-M221 PolarHBondContact O-N 2.99Å
222S56.8Low63.7Low82 Ų82100.8 Ų100.857%0.57351%0.506SS*.THydrogen-bonded Turntrans-81.4-11.5178.479.50000114.4M219 L220M219-S222 PolarHBondContact O-OG 3.4Å; L220-S222 VanDerWaalsContact C-N 3.33Å
223H57.8Low62.5Low162 Ų162101.6 Ų101.675%0.7552%0.519SS*.THydrogen-bonded Turntrans-126-1.7-169.7-80.9-67000117.8
224T55.6Low61.7Low73 Ų73103.9 Ų103.945%0.44853%0.534SS..  trans-158.9117.1173.5-35.10000113.2S226T224-S226 WeakPolarHBondContact CG2-OG 3.37Å
225S55.2Low60.9Low112 Ų112100 Ų10078%0.78352%0.519SS*.  trans-78.7-11.6-179.950.60000115
226S53.4Low60.1Low100 Ų10098.2 Ų98.270%0.69952%0.516SS*.SBendtrans-101.75.5-158.5580000118.1T224T224-S226 WeakPolarHBondContact CG2-OG 3.37Å
227S57.1Low59.5Low41 Ų4199 Ų9929%0.28752%0.523SS..  trans-151.966.8169.4-160.30000113.3
228L57.1Low59.3Low79 Ų7998.7 Ų98.741%0.41452%0.519SS..Hα-helixtrans-68-33.1177.8-70.6164.6000112.4R232L228-R232 WeakPolarHBondContact O-CB 3.31Å; L228-R232 VanDerWaalsContact O-CD 3.28Å; L228-R232 WeakPolarHBondContact O-CD 3.45Å; L228-R232 WeakPolarHBondContact O-CG 3.34Å; L228-R232 PolarHBondContact O-N 3.01Å
229N55.8Low59.1Low127 Ų127100.5 Ų100.568%0.67952%0.519SS*.Hα-helixtrans-75-41.9-174.1-76.1-18.6000113.6K231 R232 T233N229-K231 VanDerWaalsContact C-N 3.32Å; N229-K231 PolarHBondContact O-N 3.49Å; N229-R232 PolarHBondContact O-N 2.91Å; N229-T233 PolarHBondContact O-N 3.25Å; N229-T233 PolarHBondContact O-OG1 3.22Å
230R53.2Low58.7Low201 Ų20195.6 Ų95.676%0.75850%0.497SS*.Hα-helixtrans-70.9-25.7-179.5-167.2160.768.2-162.43.6113.3T233R230-T233 PolarHBondContact O-OG1 2.98Å
231K54.6Low58.8Low85 Ų8593.6 Ų93.637%0.3749%0.488SS..Hα-helixtrans-84.5-24.1175.3-65178.2-178.5175.90112.9L220 N229 P234 I235L220-K231 HydrophobicContact CD2-CD 4.11Å; N229-K231 VanDerWaalsContact C-N 3.32Å; N229-K231 PolarHBondContact O-N 3.49Å; K231-P234 WeakPolarHBondContact O-CG 3.26Å; K231-I235 WeakPolarHBondContact O-CD1 3.32Å
232R58.5Low59.2Low120 Ų12089.3 Ų89.345%0.45347%0.467SS..Hα-helixtrans-79.9-28.8-178.9-80.9171.4-176.7-175.30.1113.9L228 N229 I235 K236L228-R232 WeakPolarHBondContact O-CB 3.31Å; L228-R232 VanDerWaalsContact O-CD 3.28Å; L228-R232 WeakPolarHBondContact O-CD 3.45Å; L228-R232 WeakPolarHBondContact O-CG 3.34Å; L228-R232 PolarHBondContact O-N 3.01Å; N229-R232 PolarHBondContact O-N 2.91Å; R232-I235 PolarHBondContact O-N 3.46Å; R232-K236 WeakPolarHBondContact O-CG 3.28Å; R232-K236 PolarHBondContact O-N 2.95Å
233T56Low59.7Low88 Ų8888.2 Ų88.254%0.5446%0.463SS..Hα-helixtrans-57-51.2179.113.70000114.1N229 R230 I235 K236 L237N229-T233 PolarHBondContact O-N 3.25Å; N229-T233 PolarHBondContact O-OG1 3.22Å; R230-T233 PolarHBondContact O-OG1 2.98Å; T233-I235 VanDerWaalsContact C-N 3.29Å; T233-I235 PolarHBondContact O-N 3.03Å; T233-K236 PolarHBondContact O-N 3.48Å; T233-L237 PolarHBondContact O-N 3.3Å; T233-L237 VanDerWaalsContact O-N 3.07Å
234P57.8Low60.2Low68 Ų6881.2 Ų81.244%0.44243%0.431SS..Hα-helixtrans-63-34.917621.3-31.1000112.3K231 L237 I238K231-P234 WeakPolarHBondContact O-CG 3.26Å; P234-L237 PolarHBondContact O-N 3.44Å; P234-I238 WeakPolarHBondContact O-CD1 3.49Å; P234-I238 WeakPolarHBondContact O-CG1 3.26Å; P234-I238 PolarHBondContact O-N 3.35Å
235I62.5Low60.9Low43 Ų4378 Ų7822%0.22141%0.411CS..Hα-helixtrans-67.4-40.1177.1-60.2170.7000111.6V213 T217 K231 R232 T233 I238 K239V213-I235 HydrophobicContact CG1-CG1 4.18Å; V213-I235 HydrophobicContact CG1-CG2 4.46Å; T217-I235 HydrophobicContact CG2-CD1 3.82Å; T217-I235 WeakPolarHBondContact OG1-CD1 3.43Å; K231-I235 WeakPolarHBondContact O-CD1 3.32Å; R232-I235 PolarHBondContact O-N 3.46Å; T233-I235 VanDerWaalsContact C-N 3.29Å; T233-I235 PolarHBondContact O-N 3.03Å; I235-I238 PolarHBondContact O-N 3.32Å; I235-K239 PolarHBondContact O-N 2.88Å
236K62.8Low61.7Low143 Ų14374.2 Ų74.262%0.62239%0.39SS*.Hα-helixtrans-64.1-41.2175.4-75.4-179.8178.4-174.80111.6R232 T233 T240R232-K236 WeakPolarHBondContact O-CG 3.28Å; R232-K236 PolarHBondContact O-N 2.95Å; T233-K236 PolarHBondContact O-N 3.48Å; K236-T240 WeakPolarHBondContact O-CB 3.49Å; K236-T240 PolarHBondContact O-N 3.34Å; K236-T240 VanDerWaalsContact O-N 3.09Å; K236-T240 PolarHBondContact O-OG1 3.28Å; K236-T240 VanDerWaalsContact O-OG1 3.05Å
237L60.6Low62.6Low94 Ų9471.1 Ų71.149%0.49237%0.37SS..Hα-helixtrans-65.5-37.8175.6-171.967.3000111.9T233 P234 T240 V241T233-L237 PolarHBondContact O-N 3.3Å; T233-L237 VanDerWaalsContact O-N 3.07Å; P234-L237 PolarHBondContact O-N 3.44Å; L237-T240 WeakPolarHBondContact O-CB 3.35Å; L237-T240 WeakPolarHBondContact O-CG2 3.44Å; L237-T240 PolarHBondContact O-N 3.02Å; L237-V241 WeakPolarHBondContact O-CG2 3.35Å; L237-V241 PolarHBondContact O-N 2.89Å
238I65.9Low63.3Low32 Ų3269.3 Ų69.316%0.16436%0.357CS..Hα-helixtrans-68.9-46.8176.9-68.1162.5000111.6V131 I209 V213 P234 I235 T240 V241 M242V131-I238 HydrophobicContact CG2-CD1 3.98Å; V131-I238 HydrophobicContact CG2-CG1 4.34Å; I209-I238 HydrophobicContact CG2-CG2 4.14Å; V213-I238 HydrophobicContact CG2-CD1 4.12Å; P234-I238 WeakPolarHBondContact O-CD1 3.49Å; P234-I238 WeakPolarHBondContact O-CG1 3.26Å; P234-I238 PolarHBondContact O-N 3.35Å; I235-I238 PolarHBondContact O-N 3.32Å; I238-T240 PolarHBondContact O-N 3.34Å; I238-V241 PolarHBondContact O-N 2.89Å; I238-V241 VanDerWaalsContact O-N 3.15Å; I238-M242 HydrophobicContact CG2-CE 3.77Å; I238-M242 HydrophobicContact CG2-CG 4.35Å; I238-M242 HydrophobicContact CG2-SD 4.04Å; I238-M242 WeakPolarHBondContact O-CG 3.33Å; I238-M242 PolarHBondContact O-N 3.19Å
239K65.7Low64.3Low132 Ų13266.4 Ų66.457%0.57434%0.343SS*.Hα-helixtrans-54.4-43.4174.4-87-171172.3-173.60112.1I235 M242 A243I235-K239 PolarHBondContact O-N 2.88Å; K239-M242 HydrophobicContact CB-CE 4.48Å; K239-M242 HydrophobicContact CG-CE 4.14Å; K239-A243 WeakPolarHBondContact O-CB 3.48Å; K239-A243 PolarHBondContact O-N 3.16Å
240T62.6Low65.3Low34 Ų3465.5 Ų65.521%0.20934%0.341CS..Hα-helixtrans-54-59.8173.7-84.90000111.1K236 L237 I238 M242 A243 V244 K296K236-T240 WeakPolarHBondContact O-CB 3.49Å; K236-T240 PolarHBondContact O-N 3.34Å; K236-T240 VanDerWaalsContact O-N 3.09Å; K236-T240 PolarHBondContact O-OG1 3.28Å; K236-T240 VanDerWaalsContact O-OG1 3.05Å; L237-T240 WeakPolarHBondContact O-CB 3.35Å; L237-T240 WeakPolarHBondContact O-CG2 3.44Å; L237-T240 PolarHBondContact O-N 3.02Å; I238-T240 PolarHBondContact O-N 3.34Å; T240-M242 VanDerWaalsContact C-N 3.34Å; T240-M242 PolarHBondContact O-N 3.08Å; T240-A243 WeakPolarHBondContact O-CB 3.26Å; T240-A243 PolarHBondContact O-N 3.21Å; T240-A243 VanDerWaalsContact O-N 3.14Å; T240-V244 VanDerWaalsContact O-CG2 3.26Å; T240-V244 WeakPolarHBondContact O-CG2 3.23Å; T240-V244 PolarHBondContact O-N 3.45Å; T240-K296 VanDerWaalsContact CA-NZ 3.3Å; T240-K296 HydrophobicContact CG2-CB 3.78Å; T240-K296 HydrophobicContact CG2-CD 3.13Å; T240-K296 HydrophobicContact CG2-CG 3.41Å; T240-K296 VanDerWaalsContact CG2-CG 3.41Å; T240-K296 PolarHBondContact O-NZ 3.2Å; T240-K296 WeakPolarHBondContact OG1-CE 3.27Å
241V65.5Low66.3Low25 Ų2557.2 Ų57.215%0.15231%0.314CS..Hα-helixtrans-62.1-40.4-176.7171.60000111.4R127 L237 I238 A243 V244 L245R127-V241 HydrophobicContact CG-CG1 4.28Å; L237-V241 WeakPolarHBondContact O-CG2 3.35Å; L237-V241 PolarHBondContact O-N 2.89Å; I238-V241 PolarHBondContact O-N 2.89Å; I238-V241 VanDerWaalsContact O-N 3.15Å; V241-A243 VanDerWaalsContact C-N 3.32Å; V241-A243 PolarHBondContact O-N 3.35Å; V241-V244 WeakPolarHBondContact O-CB 3.34Å; V241-V244 PolarHBondContact O-N 3.47Å; V241-L245 HydrophobicContact CG1-CD1 3.42Å; V241-L245 VanDerWaalsContact CG1-CD1 3.42Å; V241-L245 VanDerWaalsContact O-CD1 3.23Å; V241-L245 WeakPolarHBondContact O-CD1 3.42Å; V241-L245 WeakPolarHBondContact O-CG 3.42Å; V241-L245 PolarHBondContact O-N 3.16Å; V241-L245 VanDerWaalsContact O-N 3.15Å
242M68.6Low67.4Low35 Ų3554.5 Ų54.517%0.17230%0.302CS..Hα-helixtrans-61-37.9174.4-69.7-176.5-56.200112.8Y206 Y210 I238 K239 T240 L245 G246Y206-M242 HydrophobicContact CD1-CG 4.35Å; Y210-M242 HydrophobicContact CD2-CE 3.87Å; Y210-M242 HydrophobicContact CD2-SD 4.18Å; I238-M242 HydrophobicContact CG2-CE 3.77Å; I238-M242 HydrophobicContact CG2-CG 4.35Å; I238-M242 HydrophobicContact CG2-SD 4.04Å; I238-M242 WeakPolarHBondContact O-CG 3.33Å; I238-M242 PolarHBondContact O-N 3.19Å; K239-M242 HydrophobicContact CB-CE 4.48Å; K239-M242 HydrophobicContact CG-CE 4.14Å; T240-M242 VanDerWaalsContact C-N 3.34Å; T240-M242 PolarHBondContact O-N 3.08Å; M242-L245 PolarHBondContact O-N 2.94Å; M242-G246 PolarHBondContact O-N 3.15Å
243A68.6Low68.5Low59 Ų5950.5 Ų50.549%0.48829%0.29SS..Hα-helixtrans-67.2-37177.300000112.6K239 T240 V241 A247K239-A243 WeakPolarHBondContact O-CB 3.48Å; K239-A243 PolarHBondContact O-N 3.16Å; T240-A243 WeakPolarHBondContact O-CB 3.26Å; T240-A243 PolarHBondContact O-N 3.21Å; T240-A243 VanDerWaalsContact O-N 3.14Å; V241-A243 VanDerWaalsContact C-N 3.32Å; V241-A243 PolarHBondContact O-N 3.35Å; A243-A247 VanDerWaalsContact O-CB 3.3Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.36Å
244V68.1Low69.7Low15 Ų1548.4 Ų48.49%0.09128%0.278CS..Hα-helixtrans-60.6-50.8175-177.60000110.6T240 V241 A247 F248 I292T240-V244 VanDerWaalsContact O-CG2 3.26Å; T240-V244 WeakPolarHBondContact O-CG2 3.23Å; T240-V244 PolarHBondContact O-N 3.45Å; V241-V244 WeakPolarHBondContact O-CB 3.34Å; V241-V244 PolarHBondContact O-N 3.47Å; V244-A247 PolarHBondContact O-N 2.06Å; V244-F248 PolarHBondContact O-N 3.04Å; V244-I292 HydrophobicContact CB-CD1 3.87Å; V244-I292 HydrophobicContact CB-CG2 4.07Å; V244-I292 HydrophobicContact CG1-CD1 3.55Å; V244-I292 HydrophobicContact CG1-CG2 3.94Å; V244-I292 HydrophobicContact CG2-CB 4.22Å; V244-I292 HydrophobicContact CG2-CD1 3.83Å; V244-I292 HydrophobicContact CG2-CG1 4.23Å; V244-I292 HydrophobicContact CG2-CG2 3.1Å
245L70.4Confident70.7Confident6 Ų645.5 Ų45.53%0.03126%0.26CS..Hα-helixtrans-75.6-33.1-171.8-66.4151.2000110.7L120 Y206 V241 M242 F248 V249L120-L245 HydrophobicContact CB-CD2 3.96Å; L120-L245 HydrophobicContact CD2-CD2 3.35Å; L120-L245 HydrophobicContact CG-CD2 4.17Å; Y206-L245 HydrophobicContact CD2-CB 4.37Å; Y206-L245 HydrophobicContact CE1-CB 4.34Å; Y206-L245 HydrophobicContact CE1-CD1 3.62Å; Y206-L245 HydrophobicContact CE1-CG 4.48Å; Y206-L245 HydrophobicContact CE2-CB 3.53Å; Y206-L245 HydrophobicContact CE2-CD1 4.27Å; Y206-L245 HydrophobicContact CE2-CG 4.28Å; Y206-L245 WeakPolarHBondContact OH-CD1 3.49Å; Y206-L245 VanDerWaalsContact OH-CD2 3.29Å; Y206-L245 WeakPolarHBondContact OH-CD2 3.29Å; Y206-L245 WeakPolarHBondContact OH-CG 3.35Å; V241-L245 HydrophobicContact CG1-CD1 3.42Å; V241-L245 VanDerWaalsContact CG1-CD1 3.42Å; V241-L245 VanDerWaalsContact O-CD1 3.23Å; V241-L245 WeakPolarHBondContact O-CD1 3.42Å; V241-L245 WeakPolarHBondContact O-CG 3.42Å; V241-L245 PolarHBondContact O-N 3.16Å; V241-L245 VanDerWaalsContact O-N 3.15Å; M242-L245 PolarHBondContact O-N 2.94Å; L245-F248 WeakPolarHBondContact O-CB 3.45Å; L245-F248 PolarHBondContact O-N 3.21Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.41Å
246G71.4Confident71.6Confident32 Ų3243.6 Ų43.633%0.3325%0.251SS..Hα-helixtrans-65.8-42.3169.900000112.8M242 F248 V249 V250M242-G246 PolarHBondContact O-N 3.15Å; G246-F248 VanDerWaalsContact C-N 3.31Å; G246-F248 PolarHBondContact O-N 2.97Å; G246-V249 PolarHBondContact O-N 3.37Å; G246-V250 WeakPolarHBondContact O-CG2 3.21Å; G246-V250 PolarHBondContact O-N 3.06Å
247A72.5Confident72.6Confident34 Ų3440.6 Ų40.628%0.28124%0.24SC..Hα-helixtrans-60-43.1174.900000111.3A243 V244 V249 V250 C251A243-A247 VanDerWaalsContact O-CB 3.3Å; A243-A247 WeakPolarHBondContact O-CB 3.45Å; A243-A247 PolarHBondContact O-N 3.36Å; V244-A247 PolarHBondContact O-N 2.06Å; A247-V249 PolarHBondContact O-N 3.01Å; A247-V250 PolarHBondContact O-N 3.39Å; A247-C251 WeakPolarHBondContact O-CB 3.47Å; A247-C251 PolarHBondContact O-N 3.4Å; A247-C251 PolarHBondContact O-SG 2.89Å
248F72.2Confident73.7Confident3 Ų336.4 Ų36.41%0.01322%0.219CC..Hα-helixtrans-55.1-51.3174.5-172.2-72.8000111.8S116 L117 L120 F199 V244 L245 G246 V250 C251 W252 N285S116-F248 WeakPolarHBondContact OG-CE2 3.45Å; L117-F248 HydrophobicContact CD2-CD1 4.36Å; L117-F248 HydrophobicContact CD2-CE1 3.3Å; L117-F248 HydrophobicContact CD2-CZ 3.67Å; L117-F248 HydrophobicContact CG-CE1 4.23Å; L117-F248 HydrophobicContact CG-CZ 4.14Å; L120-F248 HydrophobicContact CD1-CB 4.39Å; L120-F248 HydrophobicContact CD1-CD1 3.82Å; L120-F248 HydrophobicContact CD1-CD2 3.05Å; L120-F248 HydrophobicContact CD1-CE1 3.85Å; L120-F248 HydrophobicContact CD1-CE2 3.06Å; L120-F248 HydrophobicContact CD1-CG 3.49Å; L120-F248 VanDerWaalsContact CD1-CG 3.49Å; L120-F248 HydrophobicContact CD1-CZ 3.5Å; L120-F248 VanDerWaalsContact CD1-CZ 3.5Å; L120-F248 HydrophobicContact CG-CD2 4.42Å; L120-F248 HydrophobicContact CG-CE2 4.48Å; F199-F248 AromaticContact CE1-CD1 3.66Å; F199-F248 HydrophobicContact CE1-CD1 3.66Å; F199-F248 AromaticContact CE1-CE1 3.47Å; F199-F248 HydrophobicContact CE1-CE1 3.47Å; F199-F248 VanDerWaalsContact CE1-CE1 3.47Å; F199-F248 AromaticContact CZ-CD1 3.97Å; F199-F248 HydrophobicContact CZ-CD1 3.97Å; F199-F248 AromaticContact CZ-CE1 3.61Å; F199-F248 HydrophobicContact CZ-CE1 3.61Å; V244-F248 PolarHBondContact O-N 3.04Å; L245-F248 WeakPolarHBondContact O-CB 3.45Å; L245-F248 PolarHBondContact O-N 3.21Å; G246-F248 VanDerWaalsContact C-N 3.31Å; G246-F248 PolarHBondContact O-N 2.97Å; F248-V250 VanDerWaalsContact C-N 3.34Å; F248-V250 PolarHBondContact O-N 2.93Å; F248-C251 PolarHBondContact O-N 3.2Å; F248-W252 AromaticContact CD1-CD1 3.58Å; F248-W252 HydrophobicContact CD1-CG 4.33Å; F248-W252 HydrophobicContact CE1-CB 4.21Å; F248-W252 AromaticContact CE1-CD1 3.21Å; F248-W252 AromaticContact CE1-CG 3.8Å; F248-W252 HydrophobicContact CE1-CG 3.8Å; F248-W252 AromaticContact CE1-NE1 3.75Å; F248-W252 AromaticContact CE2-CD1 3.75Å; F248-W252 AromaticContact CE2-NE1 3.53Å; F248-W252 AromaticContact CG-CD1 3.92Å; F248-W252 AromaticContact CZ-CD1 3.34Å; F248-W252 HydrophobicContact CZ-CG 4.1Å; F248-W252 AromaticContact CZ-NE1 3.33Å; F248-W252 VanDerWaalsContact CZ-NE1 3.33Å; F248-W252 VanDerWaalsContact O-CD1 3.32Å; F248-W252 PolarHBondContact O-N 2.97Å; F248-N285 WeakPolarHBondContact CD2-ND2 3.41Å; F248-N285 WeakPolarHBondContact CD2-OD1 3.42Å; F248-N285 VanDerWaalsContact CE2-CG 3.46Å; F248-N285 WeakPolarHBondContact CE2-ND2 3.4Å; F248-N285 WeakPolarHBondContact CE2-OD1 3.27Å
249V77.6Confident74.5Confident19 Ų1937.1 Ų37.112%0.11522%0.222CC..Hα-helixtrans-60.2-45-179.71730000110.8F199 V203 L245 G246 A247 C251 W252 T253F199-V249 HydrophobicContact CD1-CG2 3.99Å; F199-V249 HydrophobicContact CE1-CG2 4.34Å; F199-V249 HydrophobicContact CG-CG1 4.46Å; F199-V249 HydrophobicContact CG-CG2 4.37Å; V203-V249 HydrophobicContact CG2-CG1 4.12Å; V203-V249 HydrophobicContact CG2-CG2 4.26Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.41Å; G246-V249 PolarHBondContact O-N 3.37Å; A247-V249 PolarHBondContact O-N 3.01Å; V249-C251 PolarHBondContact O-N 3.23Å; V249-W252 PolarHBondContact O-N 3.39Å; V249-T253 WeakPolarHBondContact CG1-OG1 3.5Å; V249-T253 VanDerWaalsContact O-CB 3.22Å; V249-T253 WeakPolarHBondContact O-CB 3.44Å; V249-T253 PolarHBondContact O-N 3.29Å; V249-T253 PolarHBondContact O-OG1 2.92Å
250V76.1Confident75.5Confident107 Ų10732.7 Ų32.765%0.64821%0.205SC*.Hα-helixtrans-65.2-38.3179.5173.50000111.8G246 A247 F248 P254G246-V250 WeakPolarHBondContact O-CG2 3.21Å; G246-V250 PolarHBondContact O-N 3.06Å; A247-V250 PolarHBondContact O-N 3.39Å; F248-V250 VanDerWaalsContact C-N 3.34Å; F248-V250 PolarHBondContact O-N 2.93Å; V250-P254 WeakPolarHBondContact O-CD 3.19Å
251C74.9Confident76.6Confident28 Ų2834 Ų3419%0.18921%0.21CC..Hα-helixtrans-68.2-37.4177.2-69.60000112.3A247 F248 V249 L281A247-C251 WeakPolarHBondContact O-CB 3.47Å; A247-C251 PolarHBondContact O-N 3.4Å; A247-C251 PolarHBondContact O-SG 2.89Å; F248-C251 PolarHBondContact O-N 3.2Å; V249-C251 PolarHBondContact O-N 3.23Å; C251-L281 HydrophobicContact CB-CB 4.33Å; C251-L281 HydrophobicContact CB-CG 4.39Å; C251-L281 VanDerWaalsContact O-CB 3.29Å; C251-L281 WeakPolarHBondContact O-CB 3.32Å; C251-L281 WeakPolarHBondContact O-CD2 3.35Å
252W76.4Confident77.5Confident28 Ų2833 Ų3311%0.10620%0.204CC..Hα-helixtrans-96.2-26.1-172.6-79101.6000114.9L113 F199 F248 V249 G255 L256 A282 N285L113-W252 HydrophobicContact CD1-CD2 3.89Å; L113-W252 HydrophobicContact CD1-CE3 3.7Å; L113-W252 HydrophobicContact CD1-CH2 3.45Å; L113-W252 VanDerWaalsContact CD1-CH2 3.45Å; L113-W252 HydrophobicContact CD1-CZ2 3.64Å; L113-W252 HydrophobicContact CD1-CZ3 3.49Å; L113-W252 VanDerWaalsContact CD1-CZ3 3.49Å; L113-W252 HydrophobicContact CD2-CE3 4.31Å; L113-W252 HydrophobicContact CD2-CH2 4.26Å; L113-W252 HydrophobicContact CD2-CZ3 3.77Å; L113-W252 HydrophobicContact CG-CH2 4.32Å; L113-W252 HydrophobicContact CG-CZ3 4.23Å; F199-W252 HydrophobicContact CE2-CB 3.63Å; F199-W252 HydrophobicContact CZ-CB 3.37Å; F199-W252 HydrophobicContact CZ-CG 4.22Å; F248-W252 AromaticContact CD1-CD1 3.58Å; F248-W252 HydrophobicContact CD1-CG 4.33Å; F248-W252 HydrophobicContact CE1-CB 4.21Å; F248-W252 AromaticContact CE1-CD1 3.21Å; F248-W252 AromaticContact CE1-CG 3.8Å; F248-W252 HydrophobicContact CE1-CG 3.8Å; F248-W252 AromaticContact CE1-NE1 3.75Å; F248-W252 AromaticContact CE2-CD1 3.75Å; F248-W252 AromaticContact CE2-NE1 3.53Å; F248-W252 AromaticContact CG-CD1 3.92Å; F248-W252 AromaticContact CZ-CD1 3.34Å; F248-W252 HydrophobicContact CZ-CG 4.1Å; F248-W252 AromaticContact CZ-NE1 3.33Å; F248-W252 VanDerWaalsContact CZ-NE1 3.33Å; F248-W252 VanDerWaalsContact O-CD1 3.32Å; F248-W252 PolarHBondContact O-N 2.97Å; V249-W252 PolarHBondContact O-N 3.39Å; W252-G255 PolarHBondContact O-N 3.49Å; W252-L256 PolarHBondContact O-N 3.33Å; W252-L256 VanDerWaalsContact O-N 3.14Å; W252-A282 HydrophobicContact CH2-CB 3.34Å; W252-A282 HydrophobicContact CZ2-CB 3.66Å; W252-A282 HydrophobicContact CZ3-CB 3.92Å; W252-N285 PolarHBondContact NE1-ND2 3.29Å
253T81.6Confident78.2Confident35 Ų3531.6 Ų31.622%0.21520%0.198CC..Hα-helixtrans-55.1-45.5-178.6-62.60000112.8V249 G255 L256 I257V249-T253 WeakPolarHBondContact CG1-OG1 3.5Å; V249-T253 VanDerWaalsContact O-CB 3.22Å; V249-T253 WeakPolarHBondContact O-CB 3.44Å; V249-T253 PolarHBondContact O-N 3.29Å; V249-T253 PolarHBondContact O-OG1 2.92Å; T253-G255 PolarHBondContact O-N 3.2Å; T253-L256 PolarHBondContact O-N 2.95Å; T253-I257 HydrophobicContact CG2-CD1 3.73Å; T253-I257 HydrophobicContact CG2-CG1 4.31Å; T253-I257 WeakPolarHBondContact O-CG1 3.38Å; T253-I257 PolarHBondContact O-N 2.81Å
254P81.9Confident79Confident45 Ų4534 Ų3429%0.29220%0.202SC..Hα-helixtrans-55.9-36.1176.5-27.337.6000112.5V250 I257 V258 M278 L281V250-P254 WeakPolarHBondContact O-CD 3.19Å; P254-I257 PolarHBondContact O-N 2.94Å; P254-V258 VanDerWaalsContact O-CG2 3.26Å; P254-V258 WeakPolarHBondContact O-CG2 3.22Å; P254-V258 PolarHBondContact O-N 3.49Å; P254-V258 VanDerWaalsContact O-N 3.08Å; P254-M278 VanDerWaalsContact C-CE 3.49Å; P254-M278 HydrophobicContact CB-CE 3.36Å; P254-M278 HydrophobicContact CB-SD 3.82Å; P254-L281 HydrophobicContact CG-CD2 4.19Å
255G78.6Confident79.5Confident6 Ų636.6 Ų36.66%0.06222%0.215CC..Hα-helixtrans-74.7-40-177.400000113.3W252 T253 I257 V258 M259 M278W252-G255 PolarHBondContact O-N 3.49Å; T253-G255 PolarHBondContact O-N 3.2Å; G255-I257 VanDerWaalsContact C-N 3.31Å; G255-I257 PolarHBondContact O-N 2.79Å; G255-V258 PolarHBondContact O-N 3Å; G255-M259 WeakPolarHBondContact O-CG 3.29Å; G255-M259 PolarHBondContact O-N 3.03Å; G255-M278 WeakPolarHBondContact CA-SD 3.4Å; G255-M278 PolarHBondContact N-SD 3.4Å
256L82.1Confident79.7Confident4 Ų438.2 Ų38.22%0.02123%0.227CC..Hα-helixtrans-62.9-40172.7-63.9-173.4000111.5N195 F199 W252 T253 V258 M259 L260N195-L256 HydrophobicContact CB-CD1 3.72Å; N195-L256 HydrophobicContact CB-CD2 3.84Å; N195-L256 HydrophobicContact CB-CG 4.47Å; F199-L256 HydrophobicContact CD2-CD1 3.47Å; F199-L256 VanDerWaalsContact CD2-CD1 3.47Å; F199-L256 HydrophobicContact CE2-CD1 3.26Å; F199-L256 HydrophobicContact CE2-CG 4.09Å; F199-L256 HydrophobicContact CZ-CD1 4.2Å; W252-L256 PolarHBondContact O-N 3.33Å; W252-L256 VanDerWaalsContact O-N 3.14Å; T253-L256 PolarHBondContact O-N 2.95Å; L256-V258 VanDerWaalsContact C-N 3.33Å; L256-V258 PolarHBondContact O-N 2.93Å; L256-M259 HydrophobicContact CD2-CE 3.51Å; L256-M259 PolarHBondContact O-N 3.25Å; L256-L260 WeakPolarHBondContact O-CB 3.1Å; L256-L260 PolarHBondContact O-N 3.42Å
257I84.4Confident79.3Confident79 Ų7943.3 Ų43.341%0.40524%0.242SC..Hα-helixtrans-62.7-42.5176.8-68.2169.6000110.4T253 P254 G255 L260 L261T253-I257 HydrophobicContact CG2-CD1 3.73Å; T253-I257 HydrophobicContact CG2-CG1 4.31Å; T253-I257 WeakPolarHBondContact O-CG1 3.38Å; T253-I257 PolarHBondContact O-N 2.81Å; P254-I257 PolarHBondContact O-N 2.94Å; G255-I257 VanDerWaalsContact C-N 3.31Å; G255-I257 PolarHBondContact O-N 2.79Å; I257-L260 WeakPolarHBondContact O-CB 3.32Å; I257-L260 PolarHBondContact O-N 3.07Å; I257-L261 HydrophobicContact CG2-CD1 3.92Å; I257-L261 HydrophobicContact CG2-CG 4.3Å; I257-L261 VanDerWaalsContact O-CG 3.28Å; I257-L261 WeakPolarHBondContact O-CG 3.35Å; I257-L261 PolarHBondContact O-N 3.5Å
258V82.9Confident78.8Confident6 Ų649.2 Ų49.24%0.03627%0.269CS..Hα-helixtrans-62.6-46.5177173.60000112.4M179 P254 G255 L256 L260 L261 D262 L271 L274 M278M179-V258 HydrophobicContact CE-CG1 4.16Å; P254-V258 VanDerWaalsContact O-CG2 3.26Å; P254-V258 WeakPolarHBondContact O-CG2 3.22Å; P254-V258 PolarHBondContact O-N 3.49Å; P254-V258 VanDerWaalsContact O-N 3.08Å; G255-V258 PolarHBondContact O-N 3Å; L256-V258 VanDerWaalsContact C-N 3.33Å; L256-V258 PolarHBondContact O-N 2.93Å; V258-L260 PolarHBondContact O-N 3.37Å; V258-L261 PolarHBondContact O-N 3.19Å; V258-D262 WeakPolarHBondContact O-CB 3.34Å; V258-D262 PolarHBondContact O-N 2.93Å; V258-L271 HydrophobicContact CG1-CG 4.19Å; V258-L274 HydrophobicContact CG2-CB 4.31Å; V258-L274 HydrophobicContact CG2-CD2 3.12Å; V258-L274 HydrophobicContact CG2-CG 3.44Å; V258-L274 VanDerWaalsContact CG2-CG 3.44Å; V258-M278 HydrophobicContact CG2-CE 4Å
259M82.3Confident78.3Confident47 Ų4750.9 Ų50.923%0.23228%0.281CS..Hα-helixtrans-63.2-35.7178.2-71.1-172.3-67.200111.5S192 G255 L256 G263S192-M259 WeakPolarHBondContact OG-CB 3.08Å; G255-M259 WeakPolarHBondContact O-CG 3.29Å; G255-M259 PolarHBondContact O-N 3.03Å; L256-M259 HydrophobicContact CD2-CE 3.51Å; L256-M259 PolarHBondContact O-N 3.25Å; M259-G263 PolarHBondContact O-N 3.15Å
260L86.9Confident77.6Confident40 Ų4059.2 Ų59.221%0.20931%0.311CS..Hα-helixtrans-65.5-46.8173.5-176.661.1000111.9I189 S192 V193 L256 I257 V258 D262 G263 L264I189-L260 HydrophobicContact CG1-CD1 4.42Å; I189-L260 HydrophobicContact CG2-CD1 4.12Å; S192-L260 PolarHBondContact OG-N 3.06Å; V193-L260 HydrophobicContact CG2-CD1 3.88Å; L256-L260 WeakPolarHBondContact O-CB 3.1Å; L256-L260 PolarHBondContact O-N 3.42Å; I257-L260 WeakPolarHBondContact O-CB 3.32Å; I257-L260 PolarHBondContact O-N 3.07Å; V258-L260 PolarHBondContact O-N 3.37Å; L260-D262 VanDerWaalsContact C-N 3.31Å; L260-D262 PolarHBondContact O-N 3.15Å; L260-G263 PolarHBondContact O-N 3.48Å; L260-L264 HydrophobicContact CD1-CD1 4.47Å; L260-L264 HydrophobicContact CG-CD1 4.22Å; L260-L264 VanDerWaalsContact O-CG 3.32Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.17Å
261L85.9Confident76.9Confident60 Ų6055.2 Ų55.231%0.31429%0.286SS..Hα-helixtrans-62.7-37.8178.1-71.3171.8000112.4I257 V258 L264 N265 C266I257-L261 HydrophobicContact CG2-CD1 3.92Å; I257-L261 HydrophobicContact CG2-CG 4.3Å; I257-L261 VanDerWaalsContact O-CG 3.28Å; I257-L261 WeakPolarHBondContact O-CG 3.35Å; I257-L261 PolarHBondContact O-N 3.5Å; V258-L261 PolarHBondContact O-N 3.19Å; L261-L264 PolarHBondContact O-N 3.33Å; L261-N265 PolarHBondContact O-N 3.23Å; L261-C266 HydrophobicContact CB-CB 4.47Å; L261-C266 PolarHBondContact O-N 2.87Å; L261-C266 VanDerWaalsContact O-N 3.16Å
262D83.8Confident76.1Confident5 Ų560.6 Ų60.63%0.02731%0.309CS..Hα-helixtrans-65-44.4173.4-178.989.2000111.5S177 K178 M179 V258 L260 L264 N265 L271S177-D262 WeakPolarHBondContact CB-OD2 3.44Å; S177-D262 PolarHBondContact OG-OD2 3.44Å; K178-D262 WeakPolarHBondContact CB-OD1 3.3Å; K178-D262 PolarHBondContact N-OD1 3.05Å; M179-D262 HydrophobicContact CB-CB 4.37Å; M179-D262 HydrophobicContact CG-CB 4.02Å; M179-D262 WeakPolarHBondContact CG-OD1 3.34Å; M179-D262 PolarHBondContact N-OD1 2.99Å; V258-D262 WeakPolarHBondContact O-CB 3.34Å; V258-D262 PolarHBondContact O-N 2.93Å; L260-D262 VanDerWaalsContact C-N 3.31Å; L260-D262 PolarHBondContact O-N 3.15Å; D262-L264 PolarHBondContact O-N 3.06Å; D262-N265 PolarHBondContact O-N 3.39Å; D262-L271 HydrophobicContact CB-CD2 4.16Å
263G82.7Confident75.3Confident5 Ų567.4 Ų67.45%0.05234%0.339CS..Hα-helixtrans-58.6-36173.400000113.1R185 M259 L260 N265R185-G263 WeakPolarHBondContact CB-O 3.39Å; M259-G263 PolarHBondContact O-N 3.15Å; L260-G263 PolarHBondContact O-N 3.48Å; G263-N265 PolarHBondContact O-N 3.19Å
264L85.7Confident74.5Confident110 Ų11068.4 Ų68.458%0.57634%0.343SS*.THydrogen-bonded Turntrans-79.74.8176.5-65.5173.7000114.2I189 L260 L261 D262I189-L264 HydrophobicContact CD1-CD2 4.13Å; L260-L264 HydrophobicContact CD1-CD1 4.47Å; L260-L264 HydrophobicContact CG-CD1 4.22Å; L260-L264 VanDerWaalsContact O-CG 3.32Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.17Å; L261-L264 PolarHBondContact O-N 3.33Å; D262-L264 PolarHBondContact O-N 3.06Å
265N80.1Confident73.7Confident69 Ų6971 Ų7137%0.36935%0.35SS..THydrogen-bonded Turntrans6436.1177.2-155.755.6000115.1R185 L261 D262 G263 E267R185-N265 VanDerWaalsContact NH1-CB 3.34Å; R185-N265 PolarHBondContact NH1-OD1 3.27Å; L261-N265 PolarHBondContact O-N 3.23Å; D262-N265 PolarHBondContact O-N 3.39Å; G263-N265 PolarHBondContact O-N 3.19Å; N265-E267 PolarHBondContact O-N 3.44Å
266C74.3Confident73.1Confident41 Ų4174.6 Ų74.628%0.27737%0.374SS..  trans-67.8121172.7-175.60000111L261 C269L261-C266 HydrophobicContact CB-CB 4.47Å; L261-C266 PolarHBondContact O-N 2.87Å; L261-C266 VanDerWaalsContact O-N 3.16Å; C266-C269 HydrophobicContact CB-CB 3.98Å; C266-C269 WeakPolarHBondContact CB-SG 3.29Å; C266-C269 WeakPolarHBondContact SG-CB 3.19Å; C266-C269 PolarHBondContact SG-N 3.05Å; C266-C269 VanDerWaalsContact SG-N 3.43Å; C266-C269 CovalentContact SG-SG 2.06Å; C266-C269 PolarHBondContact SG-SG 2.67Å
267E63.4Low72.4Confident139 Ų13978 Ų7865%0.6539%0.392SS*.SBendtrans-89.2-31.6-179.6-55.7-150.1124.200113.9K178 N265K178-E267 IonicContact NZ-OE1 3.19Å; K178-E267 PolarHBondContact NZ-OE1 3.48Å; N265-E267 PolarHBondContact O-N 3.44Å
268D60.4Low71.8Confident157 Ų15775.6 Ų75.684%0.8438%0.379SS*.SBendtrans-95.10.1-174.7-63.8-46.8000114.6Y270D268-Y270 PolarHBondContact O-N 3.25Å
269C62.8Low71.1Confident38 Ų3877.8 Ų77.826%0.25739%0.39SS..SBendtrans-69.9128.2179.5-70.90000108.5C266 L271C266-C269 HydrophobicContact CB-CB 3.98Å; C266-C269 WeakPolarHBondContact CB-SG 3.29Å; C266-C269 WeakPolarHBondContact SG-CB 3.19Å; C266-C269 PolarHBondContact SG-N 3.05Å; C266-C269 VanDerWaalsContact SG-N 3.43Å; C266-C269 CovalentContact SG-SG 2.06Å; C266-C269 PolarHBondContact SG-SG 2.67Å; C269-L271 HydrophobicContact CB-CD1 3.21Å; C269-L271 WeakPolarHBondContact O-CD1 3.03Å; C269-L271 PolarHBondContact O-N 3.14Å
270Y62.1Low70.6Confident194 Ų19480.2 Ų80.276%0.76140%0.404SS*.  trans-62.249.6179.7-99.7-91.6000114.1D268 Q272 L274D268-Y270 PolarHBondContact O-N 3.25Å; Y270-Q272 PolarHBondContact O-N 2.97Å; Y270-Q272 VanDerWaalsContact O-N 3.13Å; Y270-L274 WeakPolarHBondContact O-CB 3.45Å; Y270-L274 PolarHBondContact O-N 3Å
271L61.7Low69.9Low24 Ų2479.9 Ų79.913%0.12640%0.402CS..Hα-helixtrans-60.7-29.3-166-109.766.4000113M179 V258 D262 C269 L274 K275M179-L271 HydrophobicContact CE-CB 3.42Å; M179-L271 VanDerWaalsContact CE-CB 3.42Å; M179-L271 HydrophobicContact CE-CD2 3.58Å; M179-L271 HydrophobicContact CE-CG 3.36Å; M179-L271 WeakPolarHBondContact CE-O 3.37Å; M179-L271 HydrophobicContact CG-CD2 4.08Å; V258-L271 HydrophobicContact CG1-CG 4.19Å; D262-L271 HydrophobicContact CB-CD2 4.16Å; C269-L271 HydrophobicContact CB-CD1 3.21Å; C269-L271 WeakPolarHBondContact O-CD1 3.03Å; C269-L271 PolarHBondContact O-N 3.14Å; L271-L274 PolarHBondContact O-N 2.85Å; L271-K275 PolarHBondContact O-N 3.34Å
272Q57.8Low69.2Low141 Ų14177.4 Ų77.466%0.65939%0.39SS*.Hα-helixtrans-77.9-44.8-170.3-145148.6-1500113.4Y270 L274Y270-Q272 PolarHBondContact O-N 2.97Å; Y270-Q272 VanDerWaalsContact O-N 3.13Å; Q272-L274 PolarHBondContact O-N 3.02Å
273K60.3Low68.7Low171 Ų17177.6 Ų77.674%0.74339%0.391SS*.Hα-helixtrans-63.4-33.7169.3-88.5-176.7177.6177.60111.1L277K273-L277 PolarHBondContact O-N 3.22Å
274L64.9Low68.3Low56 Ų5679.1 Ų79.129%0.29340%0.403SS..Hα-helixtrans-75.1-32.1-174.4-154.253.9000111.7V258 Y270 L271 Q272 L277 M278V258-L274 HydrophobicContact CG2-CB 4.31Å; V258-L274 HydrophobicContact CG2-CD2 3.12Å; V258-L274 HydrophobicContact CG2-CG 3.44Å; V258-L274 VanDerWaalsContact CG2-CG 3.44Å; Y270-L274 WeakPolarHBondContact O-CB 3.45Å; Y270-L274 PolarHBondContact O-N 3Å; L271-L274 PolarHBondContact O-N 2.85Å; Q272-L274 PolarHBondContact O-N 3.02Å; L274-L277 HydrophobicContact CD1-CD2 3.89Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 2.62Å; L274-M278 HydrophobicContact CD1-CE 3.44Å; L274-M278 VanDerWaalsContact CD1-CE 3.44Å; L274-M278 HydrophobicContact CD2-CE 4.49Å; L274-M278 HydrophobicContact CG-CE 3.52Å; L274-M278 VanDerWaalsContact O-CG 3.25Å; L274-M278 WeakPolarHBondContact O-CG 3.34Å; L274-M278 PolarHBondContact O-N 3.43Å
275K65.4Low67.9Low100 Ų10074.1 Ų74.144%0.43538%0.377SS..Hα-helixtrans-60.4-45.2174.2-171.1-176.6177.8-168.60113.4M179 L271 L277 M278 L279M179-K275 HydrophobicContact CE-CB 4.2Å; M179-K275 HydrophobicContact SD-CD 4.08Å; M179-K275 HydrophobicContact SD-CG 4.33Å; L271-K275 PolarHBondContact O-N 3.34Å; K275-L277 VanDerWaalsContact C-N 3.3Å; K275-M278 PolarHBondContact O-N 2.95Å; K275-L279 PolarHBondContact O-N 2.93Å
276S64.9Low67.9Low81 Ų8170.9 Ų70.957%0.56636%0.36SS*.Hα-helixtrans-65.5-37.2176.6-60.30000111.5M278 L279 L280S276-M278 VanDerWaalsContact C-N 3.35Å; S276-L279 PolarHBondContact O-N 2.7Å; S276-L280 WeakPolarHBondContact O-CB 3.41Å; S276-L280 PolarHBondContact O-N 3.37Å
277L68.6Low68Low76 Ų7670.1 Ų70.140%0.39835%0.354SS..Hα-helixtrans-62.5-42171.9-173.866.8000111.1K273 L274 K275 L279 L280 L281K273-L277 PolarHBondContact O-N 3.22Å; L274-L277 HydrophobicContact CD1-CD2 3.89Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 2.62Å; K275-L277 VanDerWaalsContact C-N 3.3Å; L277-L279 PolarHBondContact O-N 2.87Å; L277-L280 PolarHBondContact O-N 3.46Å; L277-L281 HydrophobicContact CD1-CD1 3.57Å; L277-L281 HydrophobicContact CG-CD1 3.92Å; L277-L281 HydrophobicContact CG-CD2 4.44Å; L277-L281 WeakPolarHBondContact O-CB 3.19Å; L277-L281 VanDerWaalsContact O-CD1 3.3Å; L277-L281 WeakPolarHBondContact O-CD1 2.93Å; L277-L281 PolarHBondContact O-N 3.5Å
278M70.4Confident68.5Low28 Ų2867.3 Ų67.314%0.13834%0.342CS..Hα-helixtrans-64.1-41.8177.9-65.2-37.8139.700113.1P254 G255 V258 L274 K275 S276 L280 L281 A282P254-M278 VanDerWaalsContact C-CE 3.49Å; P254-M278 HydrophobicContact CB-CE 3.36Å; P254-M278 HydrophobicContact CB-SD 3.82Å; G255-M278 WeakPolarHBondContact CA-SD 3.4Å; G255-M278 PolarHBondContact N-SD 3.4Å; V258-M278 HydrophobicContact CG2-CE 4Å; L274-M278 HydrophobicContact CD1-CE 3.44Å; L274-M278 VanDerWaalsContact CD1-CE 3.44Å; L274-M278 HydrophobicContact CD2-CE 4.49Å; L274-M278 HydrophobicContact CG-CE 3.52Å; L274-M278 VanDerWaalsContact O-CG 3.25Å; L274-M278 WeakPolarHBondContact O-CG 3.34Å; L274-M278 PolarHBondContact O-N 3.43Å; K275-M278 PolarHBondContact O-N 2.95Å; S276-M278 VanDerWaalsContact C-N 3.35Å; M278-L280 VanDerWaalsContact C-N 3.32Å; M278-L280 PolarHBondContact O-N 2.9Å; M278-L281 PolarHBondContact O-N 3.17Å; M278-A282 WeakPolarHBondContact O-CB 3.18Å; M278-A282 PolarHBondContact O-N 2.88Å
279L68.5Low69.3Low52 Ų5260 Ų6027%0.27230%0.302SS..Hα-helixtrans-64-41.5175.8-171.662.8000111.1Y83 L86 M87 K275 S276 L277 A282 V283Y83-L279 HydrophobicContact CD1-CD1 4.47Å; Y83-L279 HydrophobicContact CE1-CD1 4.44Å; L86-L279 HydrophobicContact CD2-CD1 3.72Å; M87-L279 HydrophobicContact CE-CD2 3.78Å; M87-L279 HydrophobicContact CE-CG 4.33Å; K275-L279 PolarHBondContact O-N 2.93Å; S276-L279 PolarHBondContact O-N 2.7Å; L277-L279 PolarHBondContact O-N 2.87Å; L279-A282 PolarHBondContact O-N 3.41Å; L279-V283 WeakPolarHBondContact O-CB 3.35Å; L279-V283 VanDerWaalsContact O-CG2 3.27Å; L279-V283 WeakPolarHBondContact O-CG2 3.48Å; L279-V283 PolarHBondContact O-N 2.92Å
280L72.6Confident69.8Low98 Ų9858.3 Ų58.351%0.51329%0.291SS..Hα-helixtrans-62.7-45.2175.9-17965.5000112S276 L277 M278 V283 A284S276-L280 WeakPolarHBondContact O-CB 3.41Å; S276-L280 PolarHBondContact O-N 3.37Å; L277-L280 PolarHBondContact O-N 3.46Å; M278-L280 VanDerWaalsContact C-N 3.32Å; M278-L280 PolarHBondContact O-N 2.9Å; L280-V283 PolarHBondContact O-N 3.38Å; L280-A284 VanDerWaalsContact O-CB 3.28Å; L280-A284 WeakPolarHBondContact O-CB 3.41Å; L280-A284 PolarHBondContact O-N 3.43Å
281L71.8Confident70.2Confident33 Ų3351.8 Ų51.817%0.17327%0.273CS..Hα-helixtrans-67.4-37179.5-93.357.5000111.6C251 P254 L277 M278 A284 N285C251-L281 HydrophobicContact CB-CB 4.33Å; C251-L281 HydrophobicContact CB-CG 4.39Å; C251-L281 VanDerWaalsContact O-CB 3.29Å; C251-L281 WeakPolarHBondContact O-CB 3.32Å; C251-L281 WeakPolarHBondContact O-CD2 3.35Å; P254-L281 HydrophobicContact CG-CD2 4.19Å; L277-L281 HydrophobicContact CD1-CD1 3.57Å; L277-L281 HydrophobicContact CG-CD1 3.92Å; L277-L281 HydrophobicContact CG-CD2 4.44Å; L277-L281 WeakPolarHBondContact O-CB 3.19Å; L277-L281 VanDerWaalsContact O-CD1 3.3Å; L277-L281 WeakPolarHBondContact O-CD1 2.93Å; L277-L281 PolarHBondContact O-N 3.5Å; M278-L281 PolarHBondContact O-N 3.17Å; L281-A284 PolarHBondContact O-N 3.16Å; L281-N285 WeakPolarHBondContact O-CB 2.97Å; L281-N285 PolarHBondContact O-N 3.45Å
282A71.1Confident70.5Confident7 Ų751.5 Ų51.56%0.05827%0.271CS..Hα-helixtrans-64.9-44.7174.600000112Y83 W252 M278 L279 N285Y83-A282 WeakPolarHBondContact OH-CB 3.44Å; W252-A282 HydrophobicContact CH2-CB 3.34Å; W252-A282 HydrophobicContact CZ2-CB 3.66Å; W252-A282 HydrophobicContact CZ3-CB 3.92Å; M278-A282 WeakPolarHBondContact O-CB 3.18Å; M278-A282 PolarHBondContact O-N 2.88Å; L279-A282 PolarHBondContact O-N 3.41Å; A282-N285 WeakPolarHBondContact O-CB 3.36Å; A282-N285 PolarHBondContact O-N 3.21Å
283V74.2Confident71Confident9 Ų945.9 Ų45.96%0.05524%0.244CC..Hα-helixtrans-64.3-45.2174.6168.60000111.1F40 I44 Y83 L279 L280 N285 S286 V287F40-V283 HydrophobicContact CB-CG1 3.63Å; F40-V283 HydrophobicContact CD1-CG1 4.22Å; F40-V283 HydrophobicContact CD2-CG1 4.42Å; F40-V283 HydrophobicContact CG-CG1 3.86Å; I44-V283 HydrophobicContact CD1-CG1 4.12Å; Y83-V283 HydrophobicContact CD2-CG2 4.35Å; Y83-V283 HydrophobicContact CE2-CG2 4.38Å; L279-V283 WeakPolarHBondContact O-CB 3.35Å; L279-V283 VanDerWaalsContact O-CG2 3.27Å; L279-V283 WeakPolarHBondContact O-CG2 3.48Å; L279-V283 PolarHBondContact O-N 2.92Å; L280-V283 PolarHBondContact O-N 3.38Å; V283-N285 PolarHBondContact O-N 2.89Å; V283-S286 PolarHBondContact O-N 3.39Å; V283-V287 HydrophobicContact CG1-CG2 4.48Å; V283-V287 WeakPolarHBondContact O-CG2 3.44Å; V283-V287 PolarHBondContact O-N 3.29Å
284A74Confident71.4Confident37 Ų3739.1 Ų39.131%0.30622%0.219SC..Hα-helixtrans-56.9-38.7178.300000111.1L280 L281 S286 V287 M288L280-A284 VanDerWaalsContact O-CB 3.28Å; L280-A284 WeakPolarHBondContact O-CB 3.41Å; L280-A284 PolarHBondContact O-N 3.43Å; L281-A284 PolarHBondContact O-N 3.16Å; A284-S286 PolarHBondContact O-N 2.91Å; A284-V287 PolarHBondContact O-N 3.35Å; A284-M288 WeakPolarHBondContact O-CB 3.19Å; A284-M288 WeakPolarHBondContact O-CG 3.31Å; A284-M288 PolarHBondContact O-N 3Å
285N76.4Confident71.3Confident5 Ų546 Ų463%0.02724%0.242CC..Hα-helixtrans-60-48.2178.9178.965.3000113.6F248 W252 L281 A282 V283 V287 M288 N289F248-N285 WeakPolarHBondContact CD2-ND2 3.41Å; F248-N285 WeakPolarHBondContact CD2-OD1 3.42Å; F248-N285 VanDerWaalsContact CE2-CG 3.46Å; F248-N285 WeakPolarHBondContact CE2-ND2 3.4Å; F248-N285 WeakPolarHBondContact CE2-OD1 3.27Å; W252-N285 PolarHBondContact NE1-ND2 3.29Å; L281-N285 WeakPolarHBondContact O-CB 2.97Å; L281-N285 PolarHBondContact O-N 3.45Å; A282-N285 WeakPolarHBondContact O-CB 3.36Å; A282-N285 PolarHBondContact O-N 3.21Å; V283-N285 PolarHBondContact O-N 2.89Å; N285-V287 VanDerWaalsContact C-N 3.27Å; N285-V287 PolarHBondContact O-N 3.07Å; N285-M288 PolarHBondContact O-N 3.37Å; N285-N289 PolarHBondContact O-N 3.41Å
286S79.7Confident71.1Confident2 Ų244 Ų441%0.01423%0.234CC..Hα-helixtrans-70.8-22.3179.2-63.60000113.4N48 D76 V283 A284 P290N48-S286 PolarHBondContact ND2-O 3.22Å; D76-S286 WeakPolarHBondContact OD1-CA 3.39Å; D76-S286 WeakPolarHBondContact OD1-CB 3.32Å; D76-S286 PolarHBondContact OD1-OG 3.2Å; V283-S286 PolarHBondContact O-N 3.39Å; A284-S286 PolarHBondContact O-N 2.91Å; S286-P290 WeakPolarHBondContact O-CD 3.28Å
287V77.6Confident71.2Confident24 Ų2441.9 Ų41.915%0.14522%0.216CC..Hα-helixtrans-76.9-39.3171.7170.10000111.6F40 F43 I44 V283 A284 N285 N289 P290 C291F40-V287 HydrophobicContact CD1-CG2 4.29Å; F43-V287 HydrophobicContact CD1-CG1 4.16Å; F43-V287 HydrophobicContact CD1-CG2 4.07Å; F43-V287 HydrophobicContact CE1-CB 4.48Å; F43-V287 HydrophobicContact CE1-CG1 3.78Å; F43-V287 HydrophobicContact CE1-CG2 4.45Å; I44-V287 HydrophobicContact CD1-CG2 4.04Å; I44-V287 HydrophobicContact CG1-CG2 3.6Å; V283-V287 HydrophobicContact CG1-CG2 4.48Å; V283-V287 WeakPolarHBondContact O-CG2 3.44Å; V283-V287 PolarHBondContact O-N 3.29Å; A284-V287 PolarHBondContact O-N 3.35Å; N285-V287 VanDerWaalsContact C-N 3.27Å; N285-V287 PolarHBondContact O-N 3.07Å; V287-N289 VanDerWaalsContact C-N 3.29Å; V287-N289 PolarHBondContact O-N 2.91Å; V287-P290 WeakPolarHBondContact O-CD 3.32Å; V287-C291 PolarHBondContact O-SG 3.26Å
288M73.8Confident71.1Confident81 Ų8146.3 Ų46.340%0.39923%0.234SC..Hα-helixtrans-65.6-32.5-175-77.6-66.5-70.100112.3A284 N285 C291 I292A284-M288 WeakPolarHBondContact O-CB 3.19Å; A284-M288 WeakPolarHBondContact O-CG 3.31Å; A284-M288 PolarHBondContact O-N 3Å; N285-M288 PolarHBondContact O-N 3.37Å; M288-C291 PolarHBondContact O-N 3.26Å; M288-I292 HydrophobicContact CB-CD1 4.13Å; M288-I292 HydrophobicContact CE-CD1 4.13Å; M288-I292 HydrophobicContact CE-CG1 4.41Å; M288-I292 VanDerWaalsContact O-CB 3.22Å; M288-I292 WeakPolarHBondContact O-CB 3.29Å; M288-I292 WeakPolarHBondContact O-CD1 3.44Å; M288-I292 WeakPolarHBondContact O-CG1 3.3Å; M288-I292 PolarHBondContact O-N 3.49Å
289N76.9Confident71Confident2 Ų249 Ų491%0.01125%0.247CC..Hα-helixtrans-58.4-56.5-176.5-70.3-23.6000112.7D76 N285 V287 C291 I292 Y293D76-N289 PolarHBondContact OD2-ND2 3.39Å; N285-N289 PolarHBondContact O-N 3.41Å; V287-N289 VanDerWaalsContact C-N 3.29Å; V287-N289 PolarHBondContact O-N 2.91Å; N289-C291 PolarHBondContact O-N 3.43Å; N289-I292 WeakPolarHBondContact O-CB 3.28Å; N289-I292 PolarHBondContact O-N 3.42Å; N289-Y293 HydrophobicContact CB-CE2 4.17Å; N289-Y293 WeakPolarHBondContact O-CD1 3.5Å; N289-Y293 WeakPolarHBondContact O-CD2 3.29Å; N289-Y293 WeakPolarHBondContact O-CE2 3.46Å; N289-Y293 PolarHBondContact O-N 3.29Å; N289-Y293 VanDerWaalsContact O-N 3.14Å
290P74.3Confident71Confident4 Ų446.6 Ų46.63%0.02623%0.234CC..Hα-helixtrans-59.5-40.9173.4-26.333.7000114.8A47 V51 S286 V287 I292 Y293 S294A47-P290 HydrophobicContact CB-CB 3.83Å; A47-P290 HydrophobicContact CB-CG 3.73Å; V51-P290 HydrophobicContact CG2-CB 4.22Å; V51-P290 HydrophobicContact CG2-CG 4.34Å; S286-P290 WeakPolarHBondContact O-CD 3.28Å; V287-P290 WeakPolarHBondContact O-CD 3.32Å; P290-I292 VanDerWaalsContact C-N 3.28Å; P290-I292 PolarHBondContact O-N 2.88Å; P290-Y293 PolarHBondContact O-N 2.96Å; P290-S294 WeakPolarHBondContact O-CB 3.28Å; P290-S294 PolarHBondContact O-N 3.07Å; P290-S294 PolarHBondContact O-OG 3.35Å
291C69.6Low71.2Confident56 Ų5646.9 Ų46.938%0.37823%0.228SC..Hα-helixtrans-60.1-42.3179.4-70.60000111.5V287 M288 N289 S294 Y295V287-C291 PolarHBondContact O-SG 3.26Å; M288-C291 PolarHBondContact O-N 3.26Å; N289-C291 PolarHBondContact O-N 3.43Å; C291-S294 PolarHBondContact O-N 3.4Å; C291-Y295 WeakPolarHBondContact O-CB 3.45Å; C291-Y295 PolarHBondContact O-N 3.5Å
292I67.9Low71.3Confident18 Ų1848.9 Ų48.99%0.09224%0.242CC..Hα-helixtrans-62.9-46176.9-79.5168.1000111V244 M288 N289 P290 S294 Y295 K296V244-I292 HydrophobicContact CB-CD1 3.87Å; V244-I292 HydrophobicContact CB-CG2 4.07Å; V244-I292 HydrophobicContact CG1-CD1 3.55Å; V244-I292 HydrophobicContact CG1-CG2 3.94Å; V244-I292 HydrophobicContact CG2-CB 4.22Å; V244-I292 HydrophobicContact CG2-CD1 3.83Å; V244-I292 HydrophobicContact CG2-CG1 4.23Å; V244-I292 HydrophobicContact CG2-CG2 3.1Å; M288-I292 HydrophobicContact CB-CD1 4.13Å; M288-I292 HydrophobicContact CE-CD1 4.13Å; M288-I292 HydrophobicContact CE-CG1 4.41Å; M288-I292 VanDerWaalsContact O-CB 3.22Å; M288-I292 WeakPolarHBondContact O-CB 3.29Å; M288-I292 WeakPolarHBondContact O-CD1 3.44Å; M288-I292 WeakPolarHBondContact O-CG1 3.3Å; M288-I292 PolarHBondContact O-N 3.49Å; N289-I292 WeakPolarHBondContact O-CB 3.28Å; N289-I292 PolarHBondContact O-N 3.42Å; P290-I292 VanDerWaalsContact C-N 3.28Å; P290-I292 PolarHBondContact O-N 2.88Å; I292-S294 VanDerWaalsContact C-N 3.35Å; I292-Y295 PolarHBondContact O-N 2.9Å; I292-K296 HydrophobicContact CG2-CD 3.88Å; I292-K296 VanDerWaalsContact O-CB 3.29Å; I292-K296 WeakPolarHBondContact O-CB 3.08Å; I292-K296 VanDerWaalsContact O-CD 3.24Å; I292-K296 WeakPolarHBondContact O-CD 3.49Å; I292-K296 WeakPolarHBondContact O-CG 3.22Å; I292-K296 PolarHBondContact O-N 3.09Å
293Y67.8Low71.5Confident23 Ų2349.2 Ų49.29%0.0924%0.243CC..Hα-helixtrans-66-41.8-179.2-48-38.5000111.4V51 L69 L72 N289 P290 Y295 K296 D297 M300V51-Y293 HydrophobicContact CG1-CD2 4.28Å; V51-Y293 HydrophobicContact CG1-CE2 4.42Å; V51-Y293 HydrophobicContact CG2-CD2 4.1Å; L69-Y293 HydrophobicContact CD1-CD1 3.62Å; L69-Y293 HydrophobicContact CD1-CD2 4.25Å; L69-Y293 HydrophobicContact CD1-CE1 3.54Å; L69-Y293 HydrophobicContact CD1-CE2 4.17Å; L69-Y293 HydrophobicContact CD1-CG 4Å; L69-Y293 HydrophobicContact CD2-CD2 3.88Å; L69-Y293 HydrophobicContact CD2-CE2 3.8Å; L69-Y293 HydrophobicContact CD2-CG 4.35Å; L69-Y293 HydrophobicContact CG-CD1 4.34Å; L69-Y293 HydrophobicContact CG-CD2 4.22Å; L69-Y293 HydrophobicContact CG-CE1 3.98Å; L69-Y293 HydrophobicContact CG-CE2 3.83Å; L69-Y293 HydrophobicContact CG-CG 4.47Å; L72-Y293 WeakPolarHBondContact CD2-OH 3.32Å; N289-Y293 HydrophobicContact CB-CE2 4.17Å; N289-Y293 WeakPolarHBondContact O-CD1 3.5Å; N289-Y293 WeakPolarHBondContact O-CD2 3.29Å; N289-Y293 WeakPolarHBondContact O-CE2 3.46Å; N289-Y293 PolarHBondContact O-N 3.29Å; N289-Y293 VanDerWaalsContact O-N 3.14Å; P290-Y293 PolarHBondContact O-N 2.96Å; Y293-Y295 VanDerWaalsContact C-N 3.32Å; Y293-Y295 PolarHBondContact O-N 2.89Å; Y293-K296 PolarHBondContact O-N 2.96Å; Y293-D297 PolarHBondContact O-N 3.1Å; Y293-M300 WeakPolarHBondContact CB-SD 3.3Å; Y293-M300 HydrophobicContact CD2-SD 4.44Å; Y293-M300 HydrophobicContact CG-SD 4.2Å
294S68.6Low71.8Confident29 Ų2948.8 Ų48.820%0.20324%0.241CC..Hα-helixtrans-59.8-39.8177.8-50.10000112.8P290 C291 I292 F304P290-S294 WeakPolarHBondContact O-CB 3.28Å; P290-S294 PolarHBondContact O-N 3.07Å; P290-S294 PolarHBondContact O-OG 3.35Å; C291-S294 PolarHBondContact O-N 3.4Å; I292-S294 VanDerWaalsContact C-N 3.35Å; S294-F304 WeakPolarHBondContact OG-CE2 3.3Å
295Y64.3Low72Confident202 Ų20251 Ų5179%0.79224%0.243SC*.Hα-helixtrans-78-23.7-178.3-177.5-106.8000113.1C291 I292 Y293C291-Y295 WeakPolarHBondContact O-CB 3.45Å; C291-Y295 PolarHBondContact O-N 3.5Å; I292-Y295 PolarHBondContact O-N 2.9Å; Y293-Y295 VanDerWaalsContact C-N 3.32Å; Y293-Y295 PolarHBondContact O-N 2.89Å
296K60.2Low72.1Confident58 Ų5854.5 Ų54.525%0.25226%0.262SS..Hα-helixtrans-108.5-20.9-166.9-77.6152.7156-168.70114.8T240 I292 Y293T240-K296 VanDerWaalsContact CA-NZ 3.3Å; T240-K296 HydrophobicContact CG2-CB 3.78Å; T240-K296 HydrophobicContact CG2-CD 3.13Å; T240-K296 HydrophobicContact CG2-CG 3.41Å; T240-K296 VanDerWaalsContact CG2-CG 3.41Å; T240-K296 PolarHBondContact O-NZ 3.2Å; T240-K296 WeakPolarHBondContact OG1-CE 3.27Å; I292-K296 HydrophobicContact CG2-CD 3.88Å; I292-K296 VanDerWaalsContact O-CB 3.29Å; I292-K296 WeakPolarHBondContact O-CB 3.08Å; I292-K296 VanDerWaalsContact O-CD 3.24Å; I292-K296 WeakPolarHBondContact O-CD 3.49Å; I292-K296 WeakPolarHBondContact O-CG 3.22Å; I292-K296 PolarHBondContact O-N 3.09Å; Y293-K296 PolarHBondContact O-N 2.96Å
297D66.4Low72Confident35 Ų3556.2 Ų56.219%0.18727%0.271CS..  trans-121.1103.5178.5-170.6-31000109.4Y66 Y293 E299 M300 W301Y66-D297 PolarHBondContact OH-OD2 2.91Å; Y293-D297 PolarHBondContact O-N 3.1Å; D297-E299 PolarHBondContact O-N 3.5Å; D297-E299 WeakPolarHBondContact OD1-CA 3.32Å; D297-E299 WeakPolarHBondContact OD1-CB 3.46Å; D297-E299 PolarHBondContact OD1-N 3.29Å; D297-M300 HydrophobicContact CB-CB 3.78Å; D297-M300 PolarHBondContact O-N 3.16Å; D297-M300 PolarHBondContact OD1-N 3.28Å; D297-W301 PolarHBondContact O-N 3.48Å
298E66.8Low72.1Confident169 Ų16959.6 Ų59.679%0.7929%0.286SS*.Hα-helixtrans-62.2-30.9178.9-70.8-174.6171.900112.3T302E298-T302 WeakPolarHBondContact O-CB 3.49Å; E298-T302 PolarHBondContact O-N 3.29Å; E298-T302 PolarHBondContact O-OG1 2.96Å
299E68.8Low72.2Confident85 Ų8563.5 Ų63.540%0.39730%0.297SS..Hα-helixtrans-71.5-39.6176.2-64.3-160.513700110.8R60 F61 D297 T302 T303R60-E299 IonicContact NH1-OE1 2.72Å; R60-E299 PolarHBondContact NH1-OE1 3.27Å; F61-E299 HydrophobicContact CE1-CB 4.2Å; F61-E299 HydrophobicContact CZ-CB 4.33Å; D297-E299 PolarHBondContact O-N 3.5Å; D297-E299 WeakPolarHBondContact OD1-CA 3.32Å; D297-E299 WeakPolarHBondContact OD1-CB 3.46Å; D297-E299 PolarHBondContact OD1-N 3.29Å; E299-T302 PolarHBondContact O-N 3.01Å; E299-T303 WeakPolarHBondContact O-CB 3.35Å; E299-T303 PolarHBondContact O-N 2.95Å; E299-T303 PolarHBondContact O-OG1 3.22Å
300M69.3Low71.6Confident1 Ų167.7 Ų67.71%0.00533%0.325CS..Hα-helixtrans-64-45.1173.9-169.5174.1-73.800111.3F61 Y66 L69 Y293 D297 T302 T303 F304F61-M300 HydrophobicContact CZ-CB 4.37Å; Y66-M300 HydrophobicContact CD1-CE 4.29Å; Y66-M300 HydrophobicContact CE1-CE 4.25Å; L69-M300 HydrophobicContact CD1-CE 4.4Å; L69-M300 HydrophobicContact CD2-CE 3.75Å; Y293-M300 WeakPolarHBondContact CB-SD 3.3Å; Y293-M300 HydrophobicContact CD2-SD 4.44Å; Y293-M300 HydrophobicContact CG-SD 4.2Å; D297-M300 HydrophobicContact CB-CB 3.78Å; D297-M300 PolarHBondContact O-N 3.16Å; D297-M300 PolarHBondContact OD1-N 3.28Å; M300-T302 VanDerWaalsContact C-N 3.34Å; M300-T302 PolarHBondContact O-N 2.96Å; M300-T303 WeakPolarHBondContact O-CB 3.49Å; M300-T303 PolarHBondContact O-N 2.95Å; M300-T303 VanDerWaalsContact O-N 3.16Å; M300-F304 HydrophobicContact CG-CD1 4.36Å; M300-F304 HydrophobicContact CG-CE1 3.81Å; M300-F304 HydrophobicContact CG-CE2 4.03Å; M300-F304 HydrophobicContact CG-CZ 3.61Å; M300-F304 WeakPolarHBondContact O-CG 3.25Å; M300-F304 PolarHBondContact O-N 3.4Å; M300-F304 HydrophobicContact SD-CE1 4.34Å; M300-F304 HydrophobicContact SD-CE2 4.25Å; M300-F304 HydrophobicContact SD-CZ 3.71Å
301W75.1Confident71.2Confident105 Ų10573 Ų7340%0.39835%0.352SS..Hα-helixtrans-60.9-41.8176.6178.4-130.1000113D297 T303 F304 K305D297-W301 PolarHBondContact O-N 3.48Å; W301-T303 VanDerWaalsContact C-N 3.3Å; W301-T303 PolarHBondContact O-N 3.33Å; W301-F304 HydrophobicContact CE3-CB 4.34Å; W301-F304 HydrophobicContact CE3-CD2 4.33Å; W301-F304 PolarHBondContact O-N 2.93Å; W301-K305 HydrophobicContact CZ2-CG 4.43Å; W301-K305 PolarHBondContact O-N 3.28Å
302T74.5Confident70.8Confident74 Ų7472.1 Ų72.145%0.45435%0.352SS..Hα-helixtrans-63.8-39.8176-56.90000111E298 E299 M300 K305 N306E298-T302 WeakPolarHBondContact O-CB 3.49Å; E298-T302 PolarHBondContact O-N 3.29Å; E298-T302 PolarHBondContact O-OG1 2.96Å; E299-T302 PolarHBondContact O-N 3.01Å; M300-T302 VanDerWaalsContact C-N 3.34Å; M300-T302 PolarHBondContact O-N 2.96Å; T302-K305 PolarHBondContact O-N 3.45Å; T302-N306 VanDerWaalsContact O-CG 3.29Å; T302-N306 PolarHBondContact O-N 3.42Å; T302-N306 PolarHBondContact O-ND2 3.2Å
303T75.4Confident70.2Confident14 Ų1476.2 Ų76.29%0.08637%0.374CS..Hα-helixtrans-63.8-42.4175.2-54.50000111.2A54 N58 F61 E299 M300 W301 K305 N306 L307A54-T303 HydrophobicContact CB-CG2 3.84Å; N58-T303 HydrophobicContact CB-CG2 4.34Å; N58-T303 PolarHBondContact ND2-OG1 2.95Å; F61-T303 HydrophobicContact CE2-CG2 4.1Å; E299-T303 WeakPolarHBondContact O-CB 3.35Å; E299-T303 PolarHBondContact O-N 2.95Å; E299-T303 PolarHBondContact O-OG1 3.22Å; M300-T303 WeakPolarHBondContact O-CB 3.49Å; M300-T303 PolarHBondContact O-N 2.95Å; M300-T303 VanDerWaalsContact O-N 3.16Å; W301-T303 VanDerWaalsContact C-N 3.3Å; W301-T303 PolarHBondContact O-N 3.33Å; T303-K305 PolarHBondContact O-N 2.79Å; T303-N306 PolarHBondContact O-N 2.83Å; T303-N306 VanDerWaalsContact O-N 3.16Å; T303-L307 HydrophobicContact CG2-CD1 3.64Å; T303-L307 VanDerWaalsContact O-CD1 3.28Å; T303-L307 WeakPolarHBondContact O-CD1 3.25Å; T303-L307 PolarHBondContact O-N 3.45Å
304F80.4Confident69.5Low0 Ų076.9 Ų76.90%039%0.388CS..Hα-helixtrans-60.6-45.1174.9-70-7.9000112.6M50 V51 A54 S294 M300 W301 N306 L307 M308M50-F304 HydrophobicContact CE-CB 4.03Å; M50-F304 HydrophobicContact CE-CD1 3.93Å; M50-F304 HydrophobicContact CE-CD2 3.4Å; M50-F304 HydrophobicContact CE-CE1 4.18Å; M50-F304 HydrophobicContact CE-CE2 3.7Å; M50-F304 HydrophobicContact CE-CG 3.53Å; M50-F304 HydrophobicContact CE-CZ 4.08Å; M50-F304 HydrophobicContact CG-CD1 3.68Å; M50-F304 HydrophobicContact CG-CE1 3.93Å; M50-F304 HydrophobicContact CG-CG 4.18Å; M50-F304 HydrophobicContact SD-CB 3.87Å; M50-F304 HydrophobicContact SD-CD1 3.94Å; M50-F304 HydrophobicContact SD-CD2 4.29Å; M50-F304 HydrophobicContact SD-CG 3.79Å; V51-F304 HydrophobicContact CB-CZ 4.4Å; V51-F304 HydrophobicContact CG2-CE1 4.47Å; V51-F304 HydrophobicContact CG2-CZ 3.7Å; A54-F304 HydrophobicContact CB-CD1 4.07Å; A54-F304 HydrophobicContact CB-CE1 3.7Å; S294-F304 WeakPolarHBondContact OG-CE2 3.3Å; M300-F304 HydrophobicContact CG-CD1 4.36Å; M300-F304 HydrophobicContact CG-CE1 3.81Å; M300-F304 HydrophobicContact CG-CE2 4.03Å; M300-F304 HydrophobicContact CG-CZ 3.61Å; M300-F304 WeakPolarHBondContact O-CG 3.25Å; M300-F304 PolarHBondContact O-N 3.4Å; M300-F304 HydrophobicContact SD-CE1 4.34Å; M300-F304 HydrophobicContact SD-CE2 4.25Å; M300-F304 HydrophobicContact SD-CZ 3.71Å; W301-F304 HydrophobicContact CE3-CB 4.34Å; W301-F304 HydrophobicContact CE3-CD2 4.33Å; W301-F304 PolarHBondContact O-N 2.93Å; F304-N306 VanDerWaalsContact C-N 3.26Å; F304-N306 PolarHBondContact O-N 3.48Å; F304-L307 PolarHBondContact O-N 3Å; F304-M308 WeakPolarHBondContact O-CG 3.3Å; F304-M308 PolarHBondContact O-N 2.87Å
305K78.8Confident68.7Low84 Ų8479.4 Ų79.437%0.36540%0.403SS..Hα-helixtrans-57.4-41.5173.8-76.7178.6173.8168.40112W301 T302 T303 R309W301-K305 HydrophobicContact CZ2-CG 4.43Å; W301-K305 PolarHBondContact O-N 3.28Å; T302-K305 PolarHBondContact O-N 3.45Å; T303-K305 PolarHBondContact O-N 2.79Å; K305-R309 WeakPolarHBondContact O-CB 3.44Å; K305-R309 VanDerWaalsContact O-CG 3.24Å; K305-R309 WeakPolarHBondContact O-CG 3.23Å; K305-R309 PolarHBondContact O-N 3.42Å
306N78.3Confident68Low79 Ų7979 Ų7942%0.42240%0.4SS..Hα-helixtrans-68.6-42.7179.1-69.2-18.4000111.8T302 T303 F304 R309 C310T302-N306 VanDerWaalsContact O-CG 3.29Å; T302-N306 PolarHBondContact O-N 3.42Å; T302-N306 PolarHBondContact O-ND2 3.2Å; T303-N306 PolarHBondContact O-N 2.83Å; T303-N306 VanDerWaalsContact O-N 3.16Å; F304-N306 VanDerWaalsContact C-N 3.26Å; F304-N306 PolarHBondContact O-N 3.48Å; N306-R309 PolarHBondContact O-N 3.48Å; N306-C310 WeakPolarHBondContact O-CB 3.16Å; N306-C310 PolarHBondContact O-N 3.26Å; N306-C310 PolarHBondContact O-SG 3.2Å
307L78.6Confident67.3Low37 Ų3785.9 Ų85.919%0.19442%0.424CS..Hα-helixtrans-60.3-46.3173.6-92.3101.5000111.8A53 A54 T303 F304 R309 C310 I311A53-L307 HydrophobicContact CB-CD2 3.76Å; A54-L307 HydrophobicContact CB-CD1 4.43Å; T303-L307 HydrophobicContact CG2-CD1 3.64Å; T303-L307 VanDerWaalsContact O-CD1 3.28Å; T303-L307 WeakPolarHBondContact O-CD1 3.25Å; T303-L307 PolarHBondContact O-N 3.45Å; F304-L307 PolarHBondContact O-N 3Å; L307-R309 VanDerWaalsContact C-N 3.35Å; L307-R309 PolarHBondContact O-N 3.31Å; L307-C310 PolarHBondContact O-N 3.06Å; L307-I311 VanDerWaalsContact O-CG1 3.31Å; L307-I311 WeakPolarHBondContact O-CG1 3.47Å; L307-I311 PolarHBondContact O-N 3.36Å
308M78.6Confident66.5Low96 Ų9691.2 Ų91.247%0.47345%0.448SS..Hα-helixtrans-62-40.7177.4-70.9-171.5-70.200112.3M50 F304 I311 G312M50-M308 HydrophobicContact SD-CG 4.31Å; F304-M308 WeakPolarHBondContact O-CG 3.3Å; F304-M308 PolarHBondContact O-N 2.87Å; M308-I311 PolarHBondContact O-N 2.87Å; M308-G312 PolarHBondContact O-N 2.9Å
309R76.1Confident65.7Low163 Ų16393.1 Ų93.162%0.61545%0.448SS*.Hα-helixtrans-66-37.8174.7-75.6172.8178.7174.4-3.2112.5K305 N306 L307 G312 N313K305-R309 WeakPolarHBondContact O-CB 3.44Å; K305-R309 VanDerWaalsContact O-CG 3.24Å; K305-R309 WeakPolarHBondContact O-CG 3.23Å; K305-R309 PolarHBondContact O-N 3.42Å; N306-R309 PolarHBondContact O-N 3.48Å; L307-R309 VanDerWaalsContact C-N 3.35Å; L307-R309 PolarHBondContact O-N 3.31Å; R309-G312 PolarHBondContact O-N 3.22Å; R309-N313 WeakPolarHBondContact O-CB 3.45Å; R309-N313 PolarHBondContact O-N 3.35Å
310C64.9Low64.9Low89 Ų8992.3 Ų92.360%0.60145%0.452SS*.Hα-helixtrans-67.4-36.8175.8-73.60000112.2N306 L307 N313 G314N306-C310 WeakPolarHBondContact O-CB 3.16Å; N306-C310 PolarHBondContact O-N 3.26Å; N306-C310 PolarHBondContact O-SG 3.2Å; L307-C310 PolarHBondContact O-N 3.06Å; C310-N313 PolarHBondContact O-N 3.46Å; C310-G314 PolarHBondContact O-N 2.96Å
311I65.4Low64Low117 Ų11796.9 Ų96.960%0.648%0.48SS*.Hα-helixtrans-65.4-42173-65.9163.5000110.6L307 M308 T315L307-I311 VanDerWaalsContact O-CG1 3.31Å; L307-I311 WeakPolarHBondContact O-CG1 3.47Å; L307-I311 PolarHBondContact O-N 3.36Å; M308-I311 PolarHBondContact O-N 2.87Å; I311-T315 PolarHBondContact O-N 3.47Å; I311-T315 PolarHBondContact O-OG1 2.95Å
312G60Low62.8Low37 Ų37102.2 Ų102.238%0.38150%0.5SS..Hα-helixtrans-67.9-35.2174.900000114.3M308 R309 T315 R316M308-G312 PolarHBondContact O-N 2.9Å; R309-G312 PolarHBondContact O-N 3.22Å; G312-T315 PolarHBondContact O-OG1 3.4Å; G312-R316 PolarHBondContact O-N 3.49Å
313N55.8Low61.8Low103 Ų103102.5 Ų102.555%0.55151%0.51SS*.Hα-helixtrans-81.5-30.6177.6-78.1-12.8000112.9R309 C310 R316 R317R309-N313 WeakPolarHBondContact O-CB 3.45Å; R309-N313 PolarHBondContact O-N 3.35Å; C310-N313 PolarHBondContact O-N 3.46Å; N313-R316 PolarHBondContact O-N 2.67Å; N313-R317 WeakPolarHBondContact O-CB 3.25Å; N313-R317 PolarHBondContact O-N 2.86Å
314G53.8Low60.6Low37 Ų37108.4 Ų108.438%0.38154%0.54SS..Hα-helixtrans-65.1-4117400000112.2C310 R317 Q318C310-G314 PolarHBondContact O-N 2.96Å; G314-R317 PolarHBondContact O-N 3.29Å; G314-Q318 PolarHBondContact O-N 2.87Å
315T51Low59.1Low83 Ų83111.8 Ų111.851%0.50957%0.569SS.*Hα-helixtrans-67.5-36.7172.143.90000112.3I311 G312 R319I311-T315 PolarHBondContact O-N 3.47Å; I311-T315 PolarHBondContact O-OG1 2.95Å; G312-T315 PolarHBondContact O-OG1 3.4Å; T315-R319 WeakPolarHBondContact O-CB 3.49Å; T315-R319 PolarHBondContact O-N 3Å
316R49.5Very low57.3Low194 Ų194116.9 Ų116.973%0.73259%0.591SS**Hα-helixtrans-66.9-39.1173.3-161.5177.3-166.4-174.63.6112.8G312 N313 R319 S320G312-R316 PolarHBondContact O-N 3.49Å; N313-R316 PolarHBondContact O-N 2.67Å; R316-R319 PolarHBondContact O-N 2.92Å; R316-S320 PolarHBondContact O-N 3.33Å
317R46.8Very low55.6Low202 Ų202119.1 Ų119.176%0.76261%0.61SS**Hα-helixtrans-68.3-44.1177.5-160.4175179.3-173-0.8111N313 G314 R319 S320 T321N313-R317 WeakPolarHBondContact O-CB 3.25Å; N313-R317 PolarHBondContact O-N 2.86Å; G314-R317 PolarHBondContact O-N 3.29Å; R317-R319 PolarHBondContact O-N 3.49Å; R317-S320 PolarHBondContact O-N 2.95Å; R317-T321 PolarHBondContact O-N 3.03Å; R317-T321 VanDerWaalsContact O-N 3.08Å; R317-T321 PolarHBondContact O-OG1 2.92Å
318Q49.5Very low53.6Low146 Ų146126.2 Ų126.268%0.68265%0.647SS**Hα-helixtrans-63-37.4173.7-96.1-177.1-25.900113.5G314 T321 R322G314-Q318 PolarHBondContact O-N 2.87Å; Q318-T321 PolarHBondContact O-N 3.4Å; Q318-R322 WeakPolarHBondContact O-CB 3.41Å; Q318-R322 PolarHBondContact O-N 3.05Å; Q318-R322 VanDerWaalsContact O-N 3.11Å
319R48.7Very low51.5Low209 Ų209125.1 Ų125.179%0.78966%0.66SS**Hα-helixtrans-70.1-32.6177.4-153.9171.7-177.2169-0.1112.2T315 R316 R317 A323T315-R319 WeakPolarHBondContact O-CB 3.49Å; T315-R319 PolarHBondContact O-N 3Å; R316-R319 PolarHBondContact O-N 2.92Å; R317-R319 PolarHBondContact O-N 3.49Å; R319-A323 WeakPolarHBondContact O-CB 3.5Å; R319-A323 PolarHBondContact O-N 3.45Å; R319-A323 VanDerWaalsContact O-N 3.14Å
320S52.6Low49.5Very low69 Ų69122.6 Ų122.648%0.48367%0.667SS.*Hα-helixtrans-68.1-43.2172.5179.40000112.5R316 R317 R322 A323 N324R316-S320 PolarHBondContact O-N 3.33Å; R317-S320 PolarHBondContact O-N 2.95Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 3.47Å; S320-A323 PolarHBondContact O-N 3.47Å; S320-N324 PolarHBondContact O-N 3.28Å
321T50.9Low48.1Very low97 Ų97123.1 Ų123.160%0.59567%0.672SS**Hα-helixtrans-67.5-34.3177.6-16.50000112.6R317 Q318 A325R317-T321 PolarHBondContact O-N 3.03Å; R317-T321 VanDerWaalsContact O-N 3.08Å; R317-T321 PolarHBondContact O-OG1 2.92Å; Q318-T321 PolarHBondContact O-N 3.4Å; T321-A325 PolarHBondContact O-N 3.04Å
322R49.6Very low46.5Very low217 Ų217126.1 Ų126.182%0.81968%0.683SS**Hα-helixtrans-77.3-27.4179.1-146.3176.6-171.5-177.11.9113.2Q318 S320Q318-R322 WeakPolarHBondContact O-CB 3.41Å; Q318-R322 PolarHBondContact O-N 3.05Å; Q318-R322 VanDerWaalsContact O-N 3.11Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 3.47Å
323A52.3Low45.3Very low80 Ų80130.9 Ų130.966%0.66170%0.7SS**Hα-helixtrans-74.8-24.5173.600000113.2R319 S320R319-A323 WeakPolarHBondContact O-CB 3.5Å; R319-A323 PolarHBondContact O-N 3.45Å; R319-A323 VanDerWaalsContact O-N 3.14Å; S320-A323 PolarHBondContact O-N 3.47Å
324N51.5Low44.1Very low137 Ų137131.9 Ų131.973%0.73371%0.71SS**SBendtrans-88.7-4.9175.5-83.5-29.6000114.2S320 K326S320-N324 PolarHBondContact O-N 3.28Å; N324-K326 PolarHBondContact O-N 3.5Å; N324-K326 VanDerWaalsContact O-N 3.16Å
325A47.9Very low42.9Very low72 Ų72134.9 Ų134.960%0.59573%0.725SS**  trans-85.578.9172.200000109.9T321T321-A325 PolarHBondContact O-N 3.04Å
326K42.1Very low41.9Very low191 Ų191137.5 Ų137.583%0.8374%0.741SS**  trans-63.4142.6162.7-88.6-178.5174.6-179.80109.2N324 L328N324-K326 PolarHBondContact O-N 3.5Å; N324-K326 VanDerWaalsContact O-N 3.16Å; K326-L328 PolarHBondContact O-N 3.29Å
327P41Very low41.1Very low126 Ų126133.5 Ų133.582%0.81874%0.743SS**  trans-71.9122.2172.62.513.4000108.7G329P327-G329 PolarHBondContact O-N 3.47Å; P327-G329 VanDerWaalsContact O-N 3.1Å
328L37.6Very low41.2Very low186 Ų186129.5 Ų129.597%0.97474%0.743SS**  trans-73.998.4169.2-143.782.9000107.5K326K326-L328 PolarHBondContact O-N 3.29Å
329G34.6Very low41.5Very low73 Ų73128.1 Ų128.175%0.75375%0.747SS**  trans-81.7141.417200000111.2P327P327-G329 PolarHBondContact O-N 3.47Å; P327-G329 VanDerWaalsContact O-N 3.1Å
330S33.3Very low40.6Very low109 Ų109122.9 Ų122.976%0.76275%0.748SS**  trans-74145.4-170.7110.90000114.6
331S35.4Very low39.5Very low100 Ų100125.1 Ų125.170%0.69976%0.764SS**  trans63.7121.8140.9-40.80000121
332Q33.5Very low38.5Very low180 Ų180128.8 Ų128.884%0.84177%0.774SS**  175.8136.199.5-106.2176.2-18.900114.4
333D33.3Very low37.7Very low138 Ų138126 Ų12674%0.73877%0.771SS**  trans-4.2144.7157.4-56.2-50.1000121.8
334T31.2Very low36.7Very low123 Ų123132.6 Ų132.676%0.75578%0.779SS**  165.3136.789.8-37.50000111.6
335S29Very low35.7Very low100 Ų100135 Ų13570%0.69978%0.782SS**  trans55.5135.1152.550.40000119.6
336T30.3Very low34.9Very low138 Ų138137 Ų13785%0.84779%0.792SS**  cis-168.4152.944.1-19.60000109.9
337S31.4Very low34.4Very low110 Ų110134.1 Ų134.177%0.76979%0.786SS**  trans-83.6-170.5-176.8-38.80000114.2
338P49Very low34.1Very low118 Ų118135.3 Ų135.377%0.76679%0.785SS**  -127.2-141.7-97.343.4-21.8000110.8
339P55.6Low33.9Very low118 Ų118133.5 Ų133.577%0.76678%0.777SS**  cis-129.9-160.1-33.237.6-17.4000113.1
340A29.7Very low33.9Very low98 Ų98134.5 Ų134.581%0.8178%0.778SS**  trans97.9138.8164.500000115.5
341S30.5Very low33.9Very low116 Ų116134.4 Ų134.481%0.81178%0.777SS**  cis-161.5161.124.746.10000112.3
342E30.6Very low34Very low175 Ų175138.5 Ų138.582%0.81878%0.783SS**  trans-56.6165.3173.1-74.6161.2115.500117.3
343E32.3Very low34.2Very low158 Ų158136 Ų13674%0.73878%0.775SS**  trans91.3109.6136-99.1-169.6176.300122.6
344R30.4Very low34.5Very low219 Ų219138.2 Ų138.283%0.82680%0.801SS**  148.6111119.1-87.4176.3-163.6-1542.2109.7
345K30.3Very low34.7Very low186 Ų186139 Ų13981%0.80980%0.804SS**  65.9104.666.2-151.2-173.9-160.5-175.70113.1
346S31Very low35Very low116 Ų116141.1 Ų141.181%0.81181%0.809SS**  trans-169.2110.2141.644.90000109.6
347D32.5Very low35.2Very low130 Ų130141.2 Ų141.270%0.69581%0.807SS**  trans-51.9147.7156.5-60-62.4000110.8
348D34.1Very low35.4Very low150 Ų150143.1 Ų143.180%0.80281%0.809SS**  169.9148.4109.6-94.5-30.3000114.2
349N33.2Very low34.6Very low149 Ų149144.6 Ų144.680%0.79781%0.812SS**  trans84.786.7158.1-76.3-6.4000120.9
350A36.3Very low33.2Very low94 Ų94146.4 Ų146.478%0.77782%0.815SS**  trans-61.4144.7133.700000113
351S32.3Very low33.4Very low106 Ų106149.9 Ų149.974%0.74182%0.816SS**  trans172.3115.9133.6530000107.7
352F38.3Very low33.7Very low187 Ų187152.5 Ų152.582%0.8282%0.816SS**  58.3125.895.9-99.1-114.3000110.8
353D37.2Very low33.9Very low128 Ų128150.6 Ų150.668%0.68482%0.816SS**  cis-176.1162.149.1-132-24.8000111.1
354S39.3Very low34.1Very low184 Ų184149.9 Ų149.9100%1.28782%0.823SS**  trans75.90157-57.10000120.9

Retrieved 354 of 354 residues in 2898.5 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).