A0A023NDQ1_MOUSE Loading...

Cytochrome b

Component of the ubiquinol-cytochrome c reductase complex (complex III or cytochrome b-c1 complex) that is part of the mitochondrial respiratory chain. The b-c1 complex mediates electron transfer from ubiquinol to cytochrome c. Contributes to the generation of a proton gradient across the mitochondrial membrane that is then used for ATP synthesis.

AlphaFold DB , UniProt , Accession A0A023NDQ1, Species MOUSE (Mus musculus, Mouse), Gene cytB, Length 232 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
1H91.6Very high93.3Very high146 Ų146102.5 Ų102.568%0.67651%0.506SS*.  0133.10-171.2-90.7000109.1L3 F4 K5H1-L3 VanDerWaalsContact C-N 3.32Å; H1-L3 PolarHBondContact ND1-N 2.99Å; H1-L3 PolarHBondContact O-N 2.96Å; H1-F4 HydrophobicContact CB-CB 4.16Å; H1-F4 HydrophobicContact CB-CD2 3.53Å; H1-F4 HydrophobicContact CB-CE2 4.22Å; H1-F4 HydrophobicContact CB-CG 4.06Å; H1-F4 PolarHBondContact O-N 2.73Å; H1-F4 VanDerWaalsContact O-N 3.13Å; H1-K5 PolarHBondContact O-N 3.38Å
2P92.5Very high93.6Very high103 Ų10399.5 Ų99.567%0.66949%0.492SS*.Hα-helixtrans-53.9-41.1-176.2-28.636.2000114.6K5 I6P2-K5 WeakPolarHBondContact O-CB 3.46Å; P2-K5 PolarHBondContact O-N 3.44Å; P2-I6 PolarHBondContact O-N 3.37Å
3L92.8Very high93.8Very high112 Ų11298.9 Ų98.959%0.58649%0.492SS*.Hα-helixtrans-66.7-45175.8-62.2178000112.7H1 K5 I6 I7H1-L3 VanDerWaalsContact C-N 3.32Å; H1-L3 PolarHBondContact ND1-N 2.99Å; H1-L3 PolarHBondContact O-N 2.96Å; L3-K5 PolarHBondContact O-N 3.26Å; L3-I6 PolarHBondContact O-N 3Å; L3-I6 VanDerWaalsContact O-N 3.16Å; L3-I7 PolarHBondContact O-N 3.5Å
4F93.9Very high94.1Very high138 Ų13893.9 Ų93.961%0.60547%0.467SS*.Hα-helixtrans-65.9-26.3178.5-63.3-32000112.1H1 I7 N8H1-F4 HydrophobicContact CB-CB 4.16Å; H1-F4 HydrophobicContact CB-CD2 3.53Å; H1-F4 HydrophobicContact CB-CE2 4.22Å; H1-F4 HydrophobicContact CB-CG 4.06Å; H1-F4 PolarHBondContact O-N 2.73Å; H1-F4 VanDerWaalsContact O-N 3.13Å; F4-I7 HydrophobicContact CD1-CD1 4.29Å; F4-I7 PolarHBondContact O-N 3.34Å; F4-N8 WeakPolarHBondContact O-CB 3.37Å; F4-N8 PolarHBondContact O-N 3.3Å
5K93.9Very high94.3Very high134 Ų13492.4 Ų92.458%0.58347%0.467SS*.Hα-helixtrans-62.2-44.9173.5-175.9175.3-179.5-175.50111.3H1 P2 L3 N8 H9H1-K5 PolarHBondContact O-N 3.38Å; P2-K5 WeakPolarHBondContact O-CB 3.46Å; P2-K5 PolarHBondContact O-N 3.44Å; L3-K5 PolarHBondContact O-N 3.26Å; K5-N8 PolarHBondContact O-N 3.04Å; K5-H9 VanDerWaalsContact CG-CD2 3.48Å; K5-H9 WeakPolarHBondContact CG-CD2 3.47Å; K5-H9 PolarHBondContact O-CD2 3.43Å; K5-H9 PolarHBondContact O-N 3.3Å
6I94.6Very high94.5Very high116 Ų11686.9 Ų86.960%0.59544%0.44SS*.Hα-helixtrans-62-50.7177.6-61.1171.4000109.7P2 L3 N8 H9 S10P2-I6 PolarHBondContact O-N 3.37Å; L3-I6 PolarHBondContact O-N 3Å; L3-I6 VanDerWaalsContact O-N 3.16Å; I6-N8 VanDerWaalsContact C-N 3.32Å; I6-N8 PolarHBondContact O-N 3.34Å; I6-H9 PolarHBondContact O-N 3Å; I6-S10 WeakPolarHBondContact O-CB 3.44Å; I6-S10 PolarHBondContact O-N 3.48Å; I6-S10 PolarHBondContact O-OG 3.4Å
7I94.3Very high94.7Very high84 Ų8481.8 Ų81.843%0.43141%0.414SS..Hα-helixtrans-57.8-46.1178.7-63.4172.9000110.6L3 F4 H9 S10 F11L3-I7 PolarHBondContact O-N 3.5Å; F4-I7 HydrophobicContact CD1-CD1 4.29Å; F4-I7 PolarHBondContact O-N 3.34Å; I7-H9 PolarHBondContact O-N 3.41Å; I7-S10 PolarHBondContact O-N 2.75Å; I7-S10 PolarHBondContact O-OG 3Å; I7-F11 WeakPolarHBondContact O-CB 3.32Å; I7-F11 PolarHBondContact O-N 3.47Å
8N95.9Very high94.9Very high46 Ų4679.7 Ų79.725%0.24641%0.408CS..Iπ-helixtrans-61.2-49.4-177.5-166.470.7000111.8F4 K5 I6 S10 I12 D13F4-N8 WeakPolarHBondContact O-CB 3.37Å; F4-N8 PolarHBondContact O-N 3.3Å; K5-N8 PolarHBondContact O-N 3.04Å; I6-N8 VanDerWaalsContact C-N 3.32Å; I6-N8 PolarHBondContact O-N 3.34Å; N8-S10 VanDerWaalsContact C-N 3.32Å; N8-S10 PolarHBondContact O-N 3.26Å; N8-I12 PolarHBondContact O-N 2.91Å; N8-D13 PolarHBondContact ND2-OD2 2.8Å; N8-D13 PolarHBondContact O-N 3.46Å
9H94.4Very high95.1Very high108 Ų10878.7 Ų78.750%0.540%0.404SS..Iπ-helixtrans-73.7-20.6-178.4-69.3-61.4000114.3K5 I6 I7 L14K5-H9 VanDerWaalsContact CG-CD2 3.48Å; K5-H9 WeakPolarHBondContact CG-CD2 3.47Å; K5-H9 PolarHBondContact O-CD2 3.43Å; K5-H9 PolarHBondContact O-N 3.3Å; I6-H9 PolarHBondContact O-N 3Å; I7-H9 PolarHBondContact O-N 3.41Å; H9-L14 WeakPolarHBondContact O-CB 3.45Å
10S91.2Very high95.2Very high20 Ų2075.7 Ų75.714%0.1439%0.388CS..Iπ-helixtrans-99.7-20-178.9550000114.5I6 I7 N8 L14I6-S10 WeakPolarHBondContact O-CB 3.44Å; I6-S10 PolarHBondContact O-N 3.48Å; I6-S10 PolarHBondContact O-OG 3.4Å; I7-S10 PolarHBondContact O-N 2.75Å; I7-S10 PolarHBondContact O-OG 3Å; N8-S10 VanDerWaalsContact C-N 3.32Å; N8-S10 PolarHBondContact O-N 3.26Å; S10-L14 WeakPolarHBondContact O-CD2 3.41Å
11F91.3Very high95.3Very high121 Ų12173.6 Ų73.653%0.53138%0.381SS..Iπ-helixtrans-135.9-22.9-173.7-78.6-83.2000115.6I7 F213I7-F11 WeakPolarHBondContact O-CB 3.32Å; I7-F11 PolarHBondContact O-N 3.47Å; F11-F213 VanDerWaalsContact O-CD1 3.23Å; F11-F213 WeakPolarHBondContact O-CD1 3.4Å
12I96.4Very high95.6Very high66 Ų6670.4 Ų70.434%0.33838%0.375SS..Iπ-helixtrans-104.2-68.7-175.7-54.3-175.6000109.8N8 L14 F213 H214N8-I12 PolarHBondContact O-N 2.91Å; I12-L14 VanDerWaalsContact C-N 3.31Å; I12-L14 PolarHBondContact O-N 2.83Å; I12-F213 PolarHBondContact O-N 2.92Å; I12-H214 HydrophobicContact CG2-CB 4.04Å; I12-H214 PolarHBondContact O-N 3.32Å
13D96.8Very high95.9Very high92 Ų9270.4 Ų70.449%0.49236%0.361SS..SBendtrans-92.812.3-175.6-67.5-16.4000112.5N8 P15N8-D13 PolarHBondContact ND2-OD2 2.8Å; N8-D13 PolarHBondContact O-N 3.46Å; D13-P15 WeakPolarHBondContact O-CD 3.36Å; D13-P15 VanDerWaalsContact O-N 3.16Å
14L97.2Very high96.2Very high28 Ų2866.2 Ų66.215%0.14734%0.338CS..  trans-58.2117.5175.4173.668.1000109H9 S10 I12 A16 F213H9-L14 WeakPolarHBondContact O-CB 3.45Å; S10-L14 WeakPolarHBondContact O-CD2 3.41Å; I12-L14 VanDerWaalsContact C-N 3.31Å; I12-L14 PolarHBondContact O-N 2.83Å; L14-A16 PolarHBondContact O-N 2.9Å; L14-F213 HydrophobicContact CB-CB 3.97Å; L14-F213 HydrophobicContact CD2-CD2 4.16Å; L14-F213 WeakPolarHBondContact O-CB 3.34Å; L14-F213 PolarHBondContact O-N 2.97Å
15P97.2Very high96.4Very high72 Ų7260.1 Ų60.147%0.46831%0.311SS..EExtended strand (participates in β ladder)trans-77.3115-179.732.1-36.7000110D13 K210D13-P15 WeakPolarHBondContact O-CD 3.36Å; D13-P15 VanDerWaalsContact O-N 3.16Å; P15-K210 HydrophobicContact CB-CB 4.12Å; P15-K210 HydrophobicContact CB-CD 3.85Å; P15-K210 HydrophobicContact CG-CD 4.5Å
16A97.9Very high96.7Very high4 Ų455.3 Ų55.33%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-113.8145.4-17800000110.8L14 S18 K210 I211 Y217L14-A16 PolarHBondContact O-N 2.9Å; A16-S18 PolarHBondContact O-N 2.92Å; A16-K210 VanDerWaalsContact O-CA 3.31Å; A16-K210 WeakPolarHBondContact O-CA 3.47Å; A16-I211 PolarHBondContact N-O 3.04Å; A16-I211 PolarHBondContact O-N 2.61Å; A16-Y217 HydrophobicContact CB-CD2 3.6Å; A16-Y217 HydrophobicContact CB-CE2 3.43Å; A16-Y217 VanDerWaalsContact CB-CE2 3.43Å
17P98.1Very high96.8Very high1 Ų151.3 Ų51.31%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-55.5137.2175.5-17.226.9000110.2N19 I20 S198 N200 S206 Y217P17-N19 PolarHBondContact O-N 3.41Å; P17-I20 HydrophobicContact CB-CG2 3.84Å; P17-I20 HydrophobicContact CG-CG2 3.92Å; P17-S198 VanDerWaalsContact CG-O 3.3Å; P17-S198 WeakPolarHBondContact CG-O 3.23Å; P17-N200 HydrophobicContact CB-CB 3.74Å; P17-N200 HydrophobicContact CG-CB 4.06Å; P17-S206 WeakPolarHBondContact CG-OG 3.28Å; P17-Y217 PolarHBondContact O-OH 3.26Å
18S98.1Very high97Very high43 Ų4348.9 Ų48.930%0.30127%0.269SS..THydrogen-bonded Turntrans-64.3-21.4-17666.40000114.6A16 D209 Y217A16-S18 PolarHBondContact O-N 2.92Å; S18-D209 VanDerWaalsContact CB-OD2 3.31Å; S18-D209 WeakPolarHBondContact CB-OD2 3.25Å; S18-D209 PolarHBondContact N-O 3.02Å; S18-D209 VanDerWaalsContact OG-CG 3.25Å; S18-D209 PolarHBondContact OG-OD2 3.42Å; S18-Y217 VanDerWaalsContact C-OH 3.31Å; S18-Y217 PolarHBondContact O-OH 2.77Å
19N98.1Very high97.2Very high62 Ų6247.3 Ų47.333%0.33226%0.26SS..THydrogen-bonded Turntrans-110.915.6-165.868.8-26.9000114.6P17 S21 N200 P201P17-N19 PolarHBondContact O-N 3.41Å; N19-S21 PolarHBondContact O-N 3.44Å; N19-N200 PolarHBondContact ND2-OD1 3.2Å; N19-N200 WeakPolarHBondContact OD1-CB 3.49Å; N19-P201 VanDerWaalsContact O-CD 3.28Å; N19-P201 WeakPolarHBondContact O-CD 3.23Å; N19-P201 WeakPolarHBondContact O-CG 3.29Å
20I97.9Very high97.4Very high17 Ų1743.5 Ų43.59%0.08724%0.243CC..  trans-69129.7178.973.3-168.3000111.2P17 W24 N200 Y217 K220P17-I20 HydrophobicContact CB-CG2 3.84Å; P17-I20 HydrophobicContact CG-CG2 3.92Å; I20-W24 HydrophobicContact CB-CB 4.01Å; I20-W24 HydrophobicContact CB-CD2 3.75Å; I20-W24 HydrophobicContact CB-CE3 4.27Å; I20-W24 HydrophobicContact CB-CG 3.61Å; I20-W24 HydrophobicContact CD1-CB 3.95Å; I20-W24 HydrophobicContact CD1-CG 4Å; I20-W24 HydrophobicContact CG1-CB 3.97Å; I20-W24 HydrophobicContact CG1-CG 4.04Å; I20-W24 HydrophobicContact CG2-CD2 4.14Å; I20-W24 HydrophobicContact CG2-CG 4.11Å; I20-N200 HydrophobicContact CG2-CB 4.1Å; I20-Y217 HydrophobicContact CD1-CD1 3.81Å; I20-Y217 HydrophobicContact CD1-CD2 4.31Å; I20-Y217 HydrophobicContact CD1-CE1 3.45Å; I20-Y217 VanDerWaalsContact CD1-CE1 3.45Å; I20-Y217 HydrophobicContact CD1-CE2 3.95Å; I20-Y217 HydrophobicContact CD1-CG 4.26Å; I20-Y217 HydrophobicContact CG1-CD1 4.03Å; I20-Y217 HydrophobicContact CG1-CE1 3.25Å; I20-Y217 HydrophobicContact CG1-CE2 4.34Å; I20-Y217 VanDerWaalsContact CG1-CZ 3.44Å; I20-Y217 WeakPolarHBondContact CG1-OH 3.33Å; I20-K220 PolarHBondContact O-NZ 2.78Å
21S98.1Very high97.7Very high33 Ų3344.3 Ų44.323%0.23126%0.255CS..  trans-82.8-176.2-174.263.70000112.8N19 W23 W24 K220N19-S21 PolarHBondContact O-N 3.44Å; S21-W23 PolarHBondContact O-N 2.97Å; S21-W23 VanDerWaalsContact O-N 3.16Å; S21-W24 PolarHBondContact O-N 3.47Å; S21-W24 VanDerWaalsContact O-N 3.13Å; S21-K220 VanDerWaalsContact C-NZ 3.27Å; S21-K220 PolarHBondContact O-NZ 3.48Å
22S97.9Very high98.1Very high78 Ų7840.2 Ų40.255%0.54524%0.239SC..G310 helixtrans-58.1-24.6177.252.60000113.5W24 N25S22-W24 PolarHBondContact O-N 3.26Å; S22-W24 VanDerWaalsContact O-N 3.15Å; S22-N25 VanDerWaalsContact CA-OD1 3.28Å; S22-N25 WeakPolarHBondContact CA-OD1 3.43Å; S22-N25 WeakPolarHBondContact O-CB 3.31Å; S22-N25 PolarHBondContact O-N 3.46Å; S22-N25 PolarHBondContact O-OD1 2.87Å; S22-N25 VanDerWaalsContact O-OD1 3.05Å
23W98.6Very high98.2Very high103 Ų10337.3 Ų37.339%0.3923%0.225SC..G310 helixtrans-61.8-21.4176.9-62110000113.7S21 N25 F26 L89 R93 Y97S21-W23 PolarHBondContact O-N 2.97Å; S21-W23 VanDerWaalsContact O-N 3.16Å; W23-N25 VanDerWaalsContact C-N 3.35Å; W23-F26 HydrophobicContact CE3-CD2 4.21Å; W23-F26 AromaticContact CE3-CE2 3.72Å; W23-F26 HydrophobicContact CE3-CE2 3.72Å; W23-F26 HydrophobicContact CZ3-CE2 4.11Å; W23-L89 HydrophobicContact CH2-CD2 4.36Å; W23-L89 HydrophobicContact CZ3-CB 4.34Å; W23-L89 HydrophobicContact CZ3-CD2 3.8Å; W23-R93 HydrophobicContact CB-CB 4.09Å; W23-R93 HydrophobicContact CB-CG 3.58Å; W23-Y97 HydrophobicContact CB-CE2 4.36Å; W23-Y97 HydrophobicContact CG-CE2 4.31Å
24W98.6Very high98.3Very high24 Ų2433.8 Ų33.89%0.09121%0.206CC..G310 helixtrans-77.8-18.9175.9-89.5-113.5000113.6I20 S21 S22 F26 G27 R93 Y97 N199 P201I20-W24 HydrophobicContact CB-CB 4.01Å; I20-W24 HydrophobicContact CB-CD2 3.75Å; I20-W24 HydrophobicContact CB-CE3 4.27Å; I20-W24 HydrophobicContact CB-CG 3.61Å; I20-W24 HydrophobicContact CD1-CB 3.95Å; I20-W24 HydrophobicContact CD1-CG 4Å; I20-W24 HydrophobicContact CG1-CB 3.97Å; I20-W24 HydrophobicContact CG1-CG 4.04Å; I20-W24 HydrophobicContact CG2-CD2 4.14Å; I20-W24 HydrophobicContact CG2-CG 4.11Å; S21-W24 PolarHBondContact O-N 3.47Å; S21-W24 VanDerWaalsContact O-N 3.13Å; S22-W24 PolarHBondContact O-N 3.26Å; S22-W24 VanDerWaalsContact O-N 3.15Å; W24-F26 PolarHBondContact O-N 3.35Å; W24-G27 PolarHBondContact O-N 2.95Å; W24-R93 HydrophobicContact CE3-CG 4.23Å; W24-R93 HydrophobicContact CH2-CG 4.47Å; W24-R93 HydrophobicContact CZ3-CG 4.07Å; W24-Y97 HydrophobicContact CH2-CD1 4.22Å; W24-Y97 AromaticContact CH2-CD2 3.61Å; W24-Y97 HydrophobicContact CH2-CD2 3.61Å; W24-Y97 HydrophobicContact CH2-CE2 4.08Å; W24-Y97 AromaticContact CH2-CG 3.67Å; W24-Y97 HydrophobicContact CH2-CG 3.67Å; W24-Y97 AromaticContact CZ3-CD2 3.64Å; W24-Y97 HydrophobicContact CZ3-CD2 3.64Å; W24-Y97 AromaticContact CZ3-CE2 3.64Å; W24-Y97 HydrophobicContact CZ3-CE2 3.64Å; W24-Y97 HydrophobicContact CZ3-CG 4.11Å; W24-N199 VanDerWaalsContact CE2-O 3.25Å; W24-N199 HydrophobicContact CZ2-CB 4.33Å; W24-N199 VanDerWaalsContact CZ2-O 3.23Å; W24-N199 WeakPolarHBondContact CZ2-O 3.2Å; W24-N199 PolarHBondContact NE1-O 3.4Å; W24-P201 HydrophobicContact CH2-CG 4.27Å; W24-P201 HydrophobicContact CZ3-CG 4Å
25N98.6Very high98.4Very high10 Ų1037.6 Ų37.65%0.05322%0.224CC..G310 helixtrans-67.2-24.1179-64.882.9000112.6S22 W23 G27 S28 L29 K220 D221S22-N25 VanDerWaalsContact CA-OD1 3.28Å; S22-N25 WeakPolarHBondContact CA-OD1 3.43Å; S22-N25 WeakPolarHBondContact O-CB 3.31Å; S22-N25 PolarHBondContact O-N 3.46Å; S22-N25 PolarHBondContact O-OD1 2.87Å; S22-N25 VanDerWaalsContact O-OD1 3.05Å; W23-N25 VanDerWaalsContact C-N 3.35Å; N25-G27 PolarHBondContact O-N 3.27Å; N25-S28 PolarHBondContact O-N 3.48Å; N25-S28 VanDerWaalsContact O-N 3.07Å; N25-S28 PolarHBondContact O-OG 3.32Å; N25-L29 WeakPolarHBondContact O-CG 3.31Å; N25-L29 PolarHBondContact O-N 3.25Å; N25-K220 PolarHBondContact ND2-O 3.48Å; N25-K220 WeakPolarHBondContact OD1-CE 3.43Å; N25-K220 PolarHBondContact OD1-NZ 3.14Å; N25-D221 PolarHBondContact ND2-OD1 3.15Å
26F98.7Very high98.4Very high33 Ų3335.1 Ų35.115%0.14521%0.208CC..Hα-helixtrans-61.8-19.9-178.4-69.2-68.9000113.6W23 W24 L29 L30 C86 L89 H90W23-F26 HydrophobicContact CE3-CD2 4.21Å; W23-F26 AromaticContact CE3-CE2 3.72Å; W23-F26 HydrophobicContact CE3-CE2 3.72Å; W23-F26 HydrophobicContact CZ3-CE2 4.11Å; W24-F26 PolarHBondContact O-N 3.35Å; F26-L29 HydrophobicContact CD1-CD1 3.87Å; F26-L29 HydrophobicContact CE1-CD1 4.05Å; F26-L30 WeakPolarHBondContact O-CB 3.39Å; F26-L30 WeakPolarHBondContact O-CD1 3.28Å; F26-L30 WeakPolarHBondContact O-CG 3.18Å; F26-L30 PolarHBondContact O-N 3.19Å; F26-L30 VanDerWaalsContact O-N 3.11Å; F26-C86 HydrophobicContact CD1-CB 4.09Å; F26-L89 HydrophobicContact CD1-CB 4.02Å; F26-L89 HydrophobicContact CD1-CD1 4.31Å; F26-L89 HydrophobicContact CD2-CB 3.88Å; F26-L89 HydrophobicContact CE1-CB 3.88Å; F26-L89 HydrophobicContact CE1-CD1 3.43Å; F26-L89 VanDerWaalsContact CE1-CD1 3.43Å; F26-L89 HydrophobicContact CE1-CG 4.29Å; F26-L89 HydrophobicContact CE2-CB 3.74Å; F26-L89 HydrophobicContact CE2-CD1 4.18Å; F26-L89 HydrophobicContact CE2-CG 4.49Å; F26-L89 HydrophobicContact CG-CB 4.04Å; F26-L89 HydrophobicContact CZ-CB 3.76Å; F26-L89 HydrophobicContact CZ-CD1 3.37Å; F26-L89 HydrophobicContact CZ-CG 4.13Å; F26-H90 HydrophobicContact CB-CB 3.89Å
27G98.3Very high98.5Very high32 Ų3236.1 Ų36.133%0.3321%0.212SC..Hα-helixtrans-64.6-50171.100000112.7W24 N25 L30 G31 H90W24-G27 PolarHBondContact O-N 2.95Å; N25-G27 PolarHBondContact O-N 3.27Å; G27-L30 PolarHBondContact O-N 2.57Å; G27-G31 PolarHBondContact O-N 2.56Å; G27-H90 PolarHBondContact N-ND1 2.94Å
28S98.1Very high98.5Very high34 Ų3437.5 Ų37.524%0.23822%0.219CC..Hα-helixtrans-70.8-36.7178.147.90000112.2N25 L30 G31 V32 D221N25-S28 PolarHBondContact O-N 3.48Å; N25-S28 VanDerWaalsContact O-N 3.07Å; N25-S28 PolarHBondContact O-OG 3.32Å; S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.12Å; S28-G31 PolarHBondContact O-N 3.05Å; S28-G31 VanDerWaalsContact O-N 3.12Å; S28-V32 PolarHBondContact O-N 2.76Å; S28-D221 WeakPolarHBondContact CB-OD2 3.25Å; S28-D221 PolarHBondContact OG-OD1 3.24Å; S28-D221 PolarHBondContact OG-OD2 3.25Å
29L98.8Very high98.6Very high13 Ų1339.6 Ų39.67%0.06823%0.226CC..Hα-helixtrans-60.2-39.4173.9-62.6-178.3000112.6N25 F26 G31 V32 C33 I225 M228N25-L29 WeakPolarHBondContact O-CG 3.31Å; N25-L29 PolarHBondContact O-N 3.25Å; F26-L29 HydrophobicContact CD1-CD1 3.87Å; F26-L29 HydrophobicContact CE1-CD1 4.05Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-V32 PolarHBondContact O-N 3.17Å; L29-C33 WeakPolarHBondContact O-CB 3.28Å; L29-C33 PolarHBondContact O-N 3.2Å; L29-C33 PolarHBondContact O-SG 3.03Å; L29-I225 HydrophobicContact CD2-CB 4.43Å; L29-I225 HydrophobicContact CD2-CG1 3.82Å; L29-M228 HydrophobicContact CB-SD 4.09Å; L29-M228 HydrophobicContact CD2-CB 4.1Å; L29-M228 HydrophobicContact CD2-CE 4.49Å; L29-M228 HydrophobicContact CD2-SD 3.95Å; L29-M228 HydrophobicContact CG-SD 4.45Å
30L98.9Very high98.6Very high28 Ų2837 Ų3715%0.14721%0.213CC..Hα-helixtrans-63.2-39.5173.8-76168.2000112.2F26 G27 S28 C33 L34 F83 C86 L87 H90F26-L30 WeakPolarHBondContact O-CB 3.39Å; F26-L30 WeakPolarHBondContact O-CD1 3.28Å; F26-L30 WeakPolarHBondContact O-CG 3.18Å; F26-L30 PolarHBondContact O-N 3.19Å; F26-L30 VanDerWaalsContact O-N 3.11Å; G27-L30 PolarHBondContact O-N 2.57Å; S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.12Å; L30-C33 PolarHBondContact O-N 2.89Å; L30-L34 PolarHBondContact O-N 3.19Å; L30-F83 HydrophobicContact CD2-CD2 3.52Å; L30-F83 HydrophobicContact CD2-CE2 3.47Å; L30-F83 VanDerWaalsContact CD2-CE2 3.47Å; L30-C86 HydrophobicContact CD2-CB 3.77Å; L30-C86 HydrophobicContact CG-CB 4.02Å; L30-L87 HydrophobicContact CD2-CB 3.95Å; L30-L87 HydrophobicContact CD2-CG 4.36Å; L30-H90 HydrophobicContact CD1-CB 3.77Å
31G98.7Very high98.6Very high37 Ų3737 Ų3738%0.38122%0.217SC..Hα-helixtrans-60.1-44.2172.900000112.4G27 S28 L29 L34 M35G27-G31 PolarHBondContact O-N 2.56Å; S28-G31 PolarHBondContact O-N 3.05Å; S28-G31 VanDerWaalsContact O-N 3.12Å; L29-G31 VanDerWaalsContact C-N 3.34Å; G31-L34 PolarHBondContact O-N 3.28Å; G31-M35 WeakPolarHBondContact O-CG 3.22Å; G31-M35 PolarHBondContact O-N 2.77Å; G31-M35 VanDerWaalsContact O-N 3.1Å
32V98.7Very high98.7Very high34 Ų3439 Ų3921%0.20623%0.225CC..Hα-helixtrans-66.2-43.2175.7176.90000111.5S28 L29 L34 M35 V36 I225 M228 F229S28-V32 PolarHBondContact O-N 2.76Å; L29-V32 PolarHBondContact O-N 3.17Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.49Å; V32-M35 PolarHBondContact O-N 2.73Å; V32-V36 HydrophobicContact CG1-CG2 4.26Å; V32-V36 WeakPolarHBondContact O-CG2 3.14Å; V32-V36 PolarHBondContact O-N 3.4Å; V32-I225 HydrophobicContact CG2-CD1 3.77Å; V32-I225 HydrophobicContact CG2-CG1 3.98Å; V32-M228 HydrophobicContact CB-CE 4.25Å; V32-M228 HydrophobicContact CG1-CE 3.73Å; V32-F229 HydrophobicContact CG1-CE2 3.94Å; V32-F229 HydrophobicContact CG1-CZ 3.92Å
33C98.8Very high98.7Very high6 Ų640.2 Ų40.24%0.04122%0.22CC..Hα-helixtrans-56-46.8174.9-70.40000110.9L29 L30 M35 V36 Q37 F83L29-C33 WeakPolarHBondContact O-CB 3.28Å; L29-C33 PolarHBondContact O-N 3.2Å; L29-C33 PolarHBondContact O-SG 3.03Å; L30-C33 PolarHBondContact O-N 2.89Å; C33-M35 PolarHBondContact O-N 3.05Å; C33-V36 PolarHBondContact O-N 3.2Å; C33-Q37 VanDerWaalsContact O-CG 3.3Å; C33-Q37 WeakPolarHBondContact O-CG 3.33Å; C33-Q37 PolarHBondContact O-N 2.96Å; C33-F83 HydrophobicContact CB-CB 4.11Å; C33-F83 HydrophobicContact CB-CD1 3.63Å; C33-F83 HydrophobicContact CB-CD2 4.48Å; C33-F83 HydrophobicContact CB-CE1 4.14Å; C33-F83 HydrophobicContact CB-CG 3.81Å
34L98.8Very high98.7Very high17 Ų1736.5 Ų36.59%0.08921%0.208CC..Hα-helixtrans-59.1-45.4177.3-178.462.1000112.2L30 G31 V32 Q37 I38 F83 I182 A183L30-L34 PolarHBondContact O-N 3.19Å; G31-L34 PolarHBondContact O-N 3.28Å; V32-L34 VanDerWaalsContact C-N 3.31Å; V32-L34 PolarHBondContact O-N 3.49Å; L34-Q37 PolarHBondContact O-N 3.28Å; L34-I38 HydrophobicContact CD1-CD1 3.95Å; L34-I38 HydrophobicContact CD1-CG1 4.28Å; L34-I38 HydrophobicContact CG-CD1 3.91Å; L34-I38 WeakPolarHBondContact O-CG1 3.47Å; L34-I38 PolarHBondContact O-N 3.38Å; L34-F83 HydrophobicContact CB-CE1 3.97Å; L34-F83 HydrophobicContact CB-CZ 4.22Å; L34-F83 HydrophobicContact CD1-CE1 4.21Å; L34-I182 HydrophobicContact CD1-CB 4.36Å; L34-I182 HydrophobicContact CD1-CG2 3.87Å; L34-I182 HydrophobicContact CD2-CG2 3.98Å; L34-A183 HydrophobicContact CD2-CB 4.03Å
35M98.8Very high98.7Very high108 Ų10836.4 Ų36.453%0.53221%0.212SC..Hα-helixtrans-62.9-44.7177.3-70.2-59.1-62.300112.2G31 V32 C33 Q37 I38 I39G31-M35 WeakPolarHBondContact O-CG 3.22Å; G31-M35 PolarHBondContact O-N 2.77Å; G31-M35 VanDerWaalsContact O-N 3.1Å; V32-M35 PolarHBondContact O-N 2.73Å; C33-M35 PolarHBondContact O-N 3.05Å; M35-Q37 VanDerWaalsContact C-N 3.34Å; M35-Q37 PolarHBondContact O-N 3.13Å; M35-I38 PolarHBondContact O-N 3.16Å; M35-I39 HydrophobicContact CE-CD1 4.4Å; M35-I39 WeakPolarHBondContact O-CB 3.49Å; M35-I39 VanDerWaalsContact O-CG1 3.25Å; M35-I39 WeakPolarHBondContact O-CG1 3.5Å; M35-I39 PolarHBondContact O-N 3.28Å
36V98.7Very high98.7Very high21 Ų2141.7 Ų41.713%0.12724%0.238CC..Hα-helixtrans-59.3-46175.9170.40000110.5V32 C33 I39 T40 M75 F229V32-V36 HydrophobicContact CG1-CG2 4.26Å; V32-V36 WeakPolarHBondContact O-CG2 3.14Å; V32-V36 PolarHBondContact O-N 3.4Å; C33-V36 PolarHBondContact O-N 3.2Å; V36-I39 PolarHBondContact O-N 2.81Å; V36-T40 HydrophobicContact CG1-CG2 4.26Å; V36-T40 WeakPolarHBondContact O-CB 3.49Å; V36-T40 WeakPolarHBondContact O-CG2 3.4Å; V36-T40 PolarHBondContact O-N 3.35Å; V36-T40 PolarHBondContact O-OG1 3.48Å; V36-M75 HydrophobicContact CG1-CG 3.93Å; V36-M75 HydrophobicContact CG1-SD 4.07Å; V36-F229 HydrophobicContact CG2-CE1 4.16Å; V36-F229 HydrophobicContact CG2-CZ 3.91Å
37Q98.9Very high98.7Very high24 Ų2444 Ų4411%0.11225%0.249CC..Hα-helixtrans-64.6-42.6179.5-67.9-51.2102.200112.5C33 L34 M35 T40 G41 H76 F83C33-Q37 VanDerWaalsContact O-CG 3.3Å; C33-Q37 WeakPolarHBondContact O-CG 3.33Å; C33-Q37 PolarHBondContact O-N 2.96Å; L34-Q37 PolarHBondContact O-N 3.28Å; M35-Q37 VanDerWaalsContact C-N 3.34Å; M35-Q37 PolarHBondContact O-N 3.13Å; Q37-T40 PolarHBondContact O-OG1 3.42Å; Q37-G41 WeakPolarHBondContact O-CA 3.37Å; Q37-G41 PolarHBondContact O-N 3.41Å; Q37-H76 PolarHBondContact NE2-O 2.89Å; Q37-H76 PolarHBondContact O-CE1 3.1Å; Q37-H76 VanDerWaalsContact O-CE1 3.24Å; Q37-H76 PolarHBondContact O-ND1 3.43Å; Q37-H76 PolarHBondContact OE1-O 3.13Å; Q37-F83 HydrophobicContact CG-CD1 4.05Å
38I98.9Very high98.8Very high31 Ų3143.8 Ų43.816%0.15924%0.239CC..Hα-helixtrans-63.9-48178-70.1169.3000110.6L34 M35 L42 P179 F180L34-I38 HydrophobicContact CD1-CD1 3.95Å; L34-I38 HydrophobicContact CD1-CG1 4.28Å; L34-I38 HydrophobicContact CG-CD1 3.91Å; L34-I38 WeakPolarHBondContact O-CG1 3.47Å; L34-I38 PolarHBondContact O-N 3.38Å; M35-I38 PolarHBondContact O-N 3.16Å; I38-L42 VanDerWaalsContact O-CB 3.28Å; I38-L42 WeakPolarHBondContact O-CB 3.39Å; I38-L42 PolarHBondContact O-N 3.04Å; I38-P179 HydrophobicContact CD1-CB 4.25Å; I38-P179 HydrophobicContact CG1-CB 3.73Å; I38-F180 HydrophobicContact CG2-CE1 4.07Å; I38-F180 HydrophobicContact CG2-CZ 4.27Å
39I98.9Very high98.8Very high86 Ų8645.1 Ų45.144%0.44125%0.245SC..Hα-helixtrans-64.7-56-178-66.5166.4000109.8M35 V36 G41 L42 F43M35-I39 HydrophobicContact CE-CD1 4.4Å; M35-I39 WeakPolarHBondContact O-CB 3.49Å; M35-I39 VanDerWaalsContact O-CG1 3.25Å; M35-I39 WeakPolarHBondContact O-CG1 3.5Å; M35-I39 PolarHBondContact O-N 3.28Å; V36-I39 PolarHBondContact O-N 2.81Å; I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.47Å; I39-L42 PolarHBondContact O-N 3.47Å; I39-F43 HydrophobicContact CG2-CD2 4.16Å; I39-F43 HydrophobicContact CG2-CE2 4.16Å; I39-F43 WeakPolarHBondContact O-CD2 3.03Å; I39-F43 PolarHBondContact O-N 2.89Å
40T98.9Very high98.7Very high9 Ų946 Ų466%0.05525%0.252CS..Hα-helixtrans-61.2-40.7-179.554.50000111.8V36 Q37 L42 F43 L44 I72 M75 H76V36-T40 HydrophobicContact CG1-CG2 4.26Å; V36-T40 WeakPolarHBondContact O-CB 3.49Å; V36-T40 WeakPolarHBondContact O-CG2 3.4Å; V36-T40 PolarHBondContact O-N 3.35Å; V36-T40 PolarHBondContact O-OG1 3.48Å; Q37-T40 PolarHBondContact O-OG1 3.42Å; T40-L42 PolarHBondContact O-N 2.83Å; T40-F43 PolarHBondContact O-N 3.39Å; T40-L44 VanDerWaalsContact O-CG 3.25Å; T40-L44 WeakPolarHBondContact O-CG 3.21Å; T40-L44 PolarHBondContact O-N 3.18Å; T40-I72 HydrophobicContact CG2-CG2 4.2Å; T40-M75 HydrophobicContact CG2-CB 4.27Å; T40-M75 HydrophobicContact CG2-CG 4.03Å; T40-M75 HydrophobicContact CG2-SD 3.77Å; T40-H76 PolarHBondContact OG1-ND1 3.04Å
41G98.8Very high98.7Very high17 Ų1746.6 Ų46.618%0.17526%0.256CS..Hα-helixtrans-62.8-40.4177.900000112.8Q37 I39 L44 A45 H76Q37-G41 WeakPolarHBondContact O-CA 3.37Å; Q37-G41 PolarHBondContact O-N 3.41Å; I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.47Å; G41-L44 PolarHBondContact O-N 3.05Å; G41-A45 WeakPolarHBondContact O-CB 3.18Å; G41-A45 PolarHBondContact O-N 3.1Å; G41-H76 VanDerWaalsContact CA-CE1 3.44Å; G41-H76 WeakPolarHBondContact CA-CE1 3.16Å; G41-H76 PolarHBondContact N-ND1 3.19Å
42L98.8Very high98.7Very high75 Ų7546.3 Ų46.339%0.39325%0.247SC..Hα-helixtrans-62.2-46175.4179.264.1000111.7I38 I39 T40 L44 A45 M46 F176I38-L42 VanDerWaalsContact O-CB 3.28Å; I38-L42 WeakPolarHBondContact O-CB 3.39Å; I38-L42 PolarHBondContact O-N 3.04Å; I39-L42 PolarHBondContact O-N 3.47Å; T40-L42 PolarHBondContact O-N 2.83Å; L42-L44 PolarHBondContact O-N 3.3Å; L42-A45 PolarHBondContact O-N 3.46Å; L42-M46 HydrophobicContact CD1-CE 4.43Å; L42-M46 HydrophobicContact CG-CE 4.07Å; L42-M46 WeakPolarHBondContact O-CG 3.47Å; L42-M46 PolarHBondContact O-N 3.03Å; L42-F176 HydrophobicContact CD1-CE2 4.24Å; L42-F176 HydrophobicContact CD1-CZ 4.04Å
43F98.8Very high98.7Very high103 Ų10352.3 Ų52.345%0.45227%0.274SS..Hα-helixtrans-65.3-37.3177.1-83.7-87.2000112.3I39 T40 M46 H47 I72I39-F43 HydrophobicContact CG2-CD2 4.16Å; I39-F43 HydrophobicContact CG2-CE2 4.16Å; I39-F43 WeakPolarHBondContact O-CD2 3.03Å; I39-F43 PolarHBondContact O-N 2.89Å; T40-F43 PolarHBondContact O-N 3.39Å; F43-M46 HydrophobicContact CD1-SD 4.42Å; F43-M46 PolarHBondContact O-N 3.48Å; F43-H47 PolarHBondContact O-CD2 3.4Å; F43-I72 HydrophobicContact CB-CD1 4.27Å; F43-I72 HydrophobicContact CB-CG2 4.27Å
44L98.9Very high98.6Very high25 Ų2554.5 Ų54.513%0.13129%0.288CS..Hα-helixtrans-64.8-41.6173.6-68170.1000111.6T40 G41 L42 M46 H47 Y48 I62 I72 R73 H76T40-L44 VanDerWaalsContact O-CG 3.25Å; T40-L44 WeakPolarHBondContact O-CG 3.21Å; T40-L44 PolarHBondContact O-N 3.18Å; G41-L44 PolarHBondContact O-N 3.05Å; L42-L44 PolarHBondContact O-N 3.3Å; L44-M46 PolarHBondContact O-N 3.32Å; L44-H47 PolarHBondContact O-N 2.98Å; L44-Y48 WeakPolarHBondContact O-CB 3.26Å; L44-Y48 PolarHBondContact O-N 2.86Å; L44-Y48 VanDerWaalsContact O-N 3.12Å; L44-I62 HydrophobicContact CD2-CD1 4.28Å; L44-I62 HydrophobicContact CD2-CG2 3.57Å; L44-I72 HydrophobicContact CD1-CG2 4.43Å; L44-I72 HydrophobicContact CD2-CB 4.45Å; L44-I72 HydrophobicContact CD2-CG2 3.95Å; L44-I72 HydrophobicContact CG-CG2 3.82Å; L44-R73 HydrophobicContact CD2-CB 3.98Å; L44-H76 HydrophobicContact CD1-CB 3.51Å
45A98.7Very high98.6Very high22 Ų2253.7 Ų53.718%0.18228%0.284CS..Hα-helixtrans-62.2-28.7-179.400000113.2G41 L42 H47 F172 F176G41-A45 WeakPolarHBondContact O-CB 3.18Å; G41-A45 PolarHBondContact O-N 3.1Å; L42-A45 PolarHBondContact O-N 3.46Å; A45-H47 PolarHBondContact O-N 3.12Å; A45-F172 HydrophobicContact CB-CE2 4.29Å; A45-F172 HydrophobicContact CB-CZ 4.07Å; A45-F176 HydrophobicContact CB-CD2 4.27Å; A45-F176 HydrophobicContact CB-CE2 3.98Å
46M98.8Very high98.6Very high121 Ų12154.2 Ų54.260%0.59628%0.283SS*.THydrogen-bonded Turntrans-63.8-18.2175-66.4175.6-175.200113.6L42 F43 L44L42-M46 HydrophobicContact CD1-CE 4.43Å; L42-M46 HydrophobicContact CG-CE 4.07Å; L42-M46 WeakPolarHBondContact O-CG 3.47Å; L42-M46 PolarHBondContact O-N 3.03Å; F43-M46 HydrophobicContact CD1-SD 4.42Å; F43-M46 PolarHBondContact O-N 3.48Å; L44-M46 PolarHBondContact O-N 3.32Å
47H98.6Very high98.6Very high82 Ų8256 Ų5638%0.3830%0.296SS..THydrogen-bonded Turntrans-122.2-3.3-175.6-62.1-68.1000113.7F43 L44 A45 I62 V66F43-H47 PolarHBondContact O-CD2 3.4Å; L44-H47 PolarHBondContact O-N 2.98Å; A45-H47 PolarHBondContact O-N 3.12Å; H47-I62 HydrophobicContact CB-CD1 3.93Å; H47-I62 HydrophobicContact CB-CG1 3.55Å; H47-V66 HydrophobicContact CB-CG2 4.36Å
48Y98.8Very high98.6Very high27 Ų2755.3 Ų55.311%0.10629%0.294CS..  trans-93.3146.9-177.6173.6-103.4000112L44 A55 S58 V59 L126 F172L44-Y48 WeakPolarHBondContact O-CB 3.26Å; L44-Y48 PolarHBondContact O-N 2.86Å; L44-Y48 VanDerWaalsContact O-N 3.12Å; Y48-A55 HydrophobicContact CE2-CB 4.07Å; Y48-S58 VanDerWaalsContact CD2-OG 3.25Å; Y48-S58 WeakPolarHBondContact CD2-OG 3.37Å; Y48-V59 HydrophobicContact CD2-CG2 3.9Å; Y48-V59 HydrophobicContact CE2-CG2 4.06Å; Y48-L126 HydrophobicContact CE2-CB 4.48Å; Y48-L126 WeakPolarHBondContact CE2-O 3.41Å; Y48-L126 PolarHBondContact OH-O 2.79Å; Y48-F172 AromaticContact CD1-CD2 3.69Å; Y48-F172 HydrophobicContact CD1-CD2 3.69Å; Y48-F172 AromaticContact CD1-CE2 3.58Å; Y48-F172 HydrophobicContact CD1-CE2 3.58Å; Y48-F172 HydrophobicContact CD1-CG 4.37Å; Y48-F172 HydrophobicContact CD1-CZ 4.17Å; Y48-F172 HydrophobicContact CE1-CB 4.4Å; Y48-F172 AromaticContact CE1-CD2 3.57Å; Y48-F172 HydrophobicContact CE1-CD2 3.57Å; Y48-F172 AromaticContact CE1-CE2 3.98Å; Y48-F172 HydrophobicContact CE1-CE2 3.98Å; Y48-F172 AromaticContact CE1-CG 4Å; Y48-F172 HydrophobicContact CE1-CG 4Å
49T98.6Very high98.6Very high61 Ų6154.9 Ų54.937%0.37429%0.293SS..  trans-123.3123.1175.254.40000111.7D51 T54 A55 S58T49-D51 VanDerWaalsContact C-N 3.28Å; T49-D51 PolarHBondContact O-N 2.9Å; T49-D51 VanDerWaalsContact O-N 3.11Å; T49-T54 WeakPolarHBondContact OG1-CB 3.32Å; T49-T54 PolarHBondContact OG1-O 2.94Å; T49-T54 PolarHBondContact OG1-OG1 3.41Å; T49-A55 VanDerWaalsContact O-CA 3.29Å; T49-A55 WeakPolarHBondContact O-CA 3.28Å; T49-S58 PolarHBondContact N-OG 2.65Å; T49-S58 WeakPolarHBondContact OG1-CB 3.48Å; T49-S58 PolarHBondContact OG1-OG 3.09Å
50S97.9Very high98.6Very high31 Ų3152.6 Ų52.622%0.21728%0.283CS..  trans-87.648.5-177.558.50000114.3T169S50-T169 PolarHBondContact O-OG1 3.33Å
51D98.4Very high98.6Very high41 Ų4156 Ų5622%0.21930%0.298CS..SBendtrans-121.5136.4174.4178.3-80.7000110T49 M53 T54 A55 K165T49-D51 VanDerWaalsContact C-N 3.28Å; T49-D51 PolarHBondContact O-N 2.9Å; T49-D51 VanDerWaalsContact O-N 3.11Å; D51-M53 PolarHBondContact O-N 2.84Å; D51-M53 VanDerWaalsContact O-N 3.12Å; D51-M53 VanDerWaalsContact OD1-CB 3.31Å; D51-M53 WeakPolarHBondContact OD1-CB 3.41Å; D51-M53 PolarHBondContact OD1-N 3.34Å; D51-T54 CarbonylContact O-C 3.57Å; D51-T54 PolarHBondContact O-N 3.03Å; D51-T54 PolarHBondContact O-OG1 3.47Å; D51-A55 WeakPolarHBondContact O-CB 3.3Å; D51-A55 PolarHBondContact O-N 3.31Å; D51-K165 WeakPolarHBondContact OD2-CE 3.29Å; D51-K165 IonicContact OD2-NZ 3.29Å; D51-K165 PolarHBondContact OD2-NZ 3.33Å
52T97.9Very high98.6Very high31 Ų3155.4 Ų55.419%0.1929%0.291CS..THydrogen-bonded Turntrans-62.2-24.2-171.448.50000113.9W128 K165 L168T52-W128 HydrophobicContact CG2-CD2 4.5Å; T52-W128 HydrophobicContact CG2-CH2 4.19Å; T52-W128 HydrophobicContact CG2-CZ2 3.47Å; T52-W128 VanDerWaalsContact CG2-CZ2 3.47Å; T52-K165 HydrophobicContact CG2-CB 4.02Å; T52-L168 HydrophobicContact CG2-CB 4.41Å; T52-L168 HydrophobicContact CG2-CD2 3.94Å
53M98.3Very high98.6Very high160 Ų16053.2 Ų53.279%0.78828%0.282SS*.THydrogen-bonded Turntrans-79.6-20.9176.9-58.4-59-64.600112.7D51D51-M53 PolarHBondContact O-N 2.84Å; D51-M53 VanDerWaalsContact O-N 3.12Å; D51-M53 VanDerWaalsContact OD1-CB 3.31Å; D51-M53 WeakPolarHBondContact OD1-CB 3.41Å; D51-M53 PolarHBondContact OD1-N 3.34Å
54T98.6Very high98.6Very high53 Ų5357.6 Ų57.633%0.32530%0.295SS..THydrogen-bonded Turntrans-126.4-11.3-170.556.20000114.7T49 D51 F56 S57 S58T49-T54 WeakPolarHBondContact OG1-CB 3.32Å; T49-T54 PolarHBondContact OG1-O 2.94Å; T49-T54 PolarHBondContact OG1-OG1 3.41Å; D51-T54 CarbonylContact O-C 3.57Å; D51-T54 PolarHBondContact O-N 3.03Å; D51-T54 PolarHBondContact O-OG1 3.47Å; T54-F56 PolarHBondContact O-N 3.07Å; T54-S57 WeakPolarHBondContact CA-OG 3.23Å; T54-S57 PolarHBondContact O-N 3.04Å; T54-S57 PolarHBondContact O-OG 3.15Å; T54-S58 VanDerWaalsContact O-CB 3.31Å; T54-S58 WeakPolarHBondContact O-CB 3.44Å; T54-S58 PolarHBondContact O-N 2.94Å; T54-S58 PolarHBondContact O-OG 3.12Å
55A98.5Very high98.6Very high0 Ų061.7 Ų61.70%032%0.317CS..Hα-helixtrans-58.7-52.4-176.300000112.4Y48 T49 D51 S57 S58 V59 W128 L168Y48-A55 HydrophobicContact CE2-CB 4.07Å; T49-A55 VanDerWaalsContact O-CA 3.29Å; T49-A55 WeakPolarHBondContact O-CA 3.28Å; D51-A55 WeakPolarHBondContact O-CB 3.3Å; D51-A55 PolarHBondContact O-N 3.31Å; A55-S57 PolarHBondContact O-N 2.8Å; A55-S58 PolarHBondContact O-N 3.08Å; A55-S58 PolarHBondContact O-OG 3.37Å; A55-V59 PolarHBondContact O-N 3.22Å; A55-W128 HydrophobicContact CB-CB 3.87Å; A55-W128 HydrophobicContact CB-CG 4.47Å; A55-L168 HydrophobicContact CB-CD2 3.67Å
56F98.6Very high98.6Very high118 Ų11861.9 Ų61.952%0.51832%0.316SS..Hα-helixtrans-61-46.4177.7-175.2-91.7000111.8T54 S58 V59 T60 P127T54-F56 PolarHBondContact O-N 3.07Å; F56-S58 VanDerWaalsContact C-N 3.35Å; F56-S58 PolarHBondContact O-N 2.81Å; F56-V59 PolarHBondContact O-N 3.3Å; F56-T60 HydrophobicContact CD1-CG2 4.14Å; F56-T60 HydrophobicContact CE1-CG2 3.75Å; F56-T60 HydrophobicContact CZ-CG2 4.24Å; F56-T60 PolarHBondContact O-N 3.21Å; F56-T60 VanDerWaalsContact O-N 3.09Å; F56-P127 WeakPolarHBondContact CA-O 3.35Å; F56-P127 WeakPolarHBondContact CD2-O 3.24Å
57S98.6Very high98.6Very high59 Ų5963 Ų6341%0.41333%0.325SS..Hα-helixtrans-66.6-35.7-178.957.70000112.2T54 A55 V59 T60 H61T54-S57 WeakPolarHBondContact CA-OG 3.23Å; T54-S57 PolarHBondContact O-N 3.04Å; T54-S57 PolarHBondContact O-OG 3.15Å; A55-S57 PolarHBondContact O-N 2.8Å; S57-V59 PolarHBondContact O-N 3.09Å; S57-T60 WeakPolarHBondContact CA-OG1 3.33Å; S57-T60 PolarHBondContact O-N 3.32Å; S57-T60 VanDerWaalsContact O-N 3.14Å; S57-T60 PolarHBondContact O-OG1 3.05Å; S57-H61 WeakPolarHBondContact O-CB 3.25Å; S57-H61 PolarHBondContact O-N 3.16Å
58S98.8Very high98.5Very high10 Ų1067.2 Ų67.27%0.0734%0.338CS..Hα-helixtrans-62.5-39.4174.875.50000112.3Y48 T49 T54 A55 F56 T60 H61 I62Y48-S58 VanDerWaalsContact CD2-OG 3.25Å; Y48-S58 WeakPolarHBondContact CD2-OG 3.37Å; T49-S58 PolarHBondContact N-OG 2.65Å; T49-S58 WeakPolarHBondContact OG1-CB 3.48Å; T49-S58 PolarHBondContact OG1-OG 3.09Å; T54-S58 VanDerWaalsContact O-CB 3.31Å; T54-S58 WeakPolarHBondContact O-CB 3.44Å; T54-S58 PolarHBondContact O-N 2.94Å; T54-S58 PolarHBondContact O-OG 3.12Å; A55-S58 PolarHBondContact O-N 3.08Å; A55-S58 PolarHBondContact O-OG 3.37Å; F56-S58 VanDerWaalsContact C-N 3.35Å; F56-S58 PolarHBondContact O-N 2.81Å; S58-T60 VanDerWaalsContact C-N 3.35Å; S58-T60 PolarHBondContact O-N 2.82Å; S58-H61 WeakPolarHBondContact O-CB 3.45Å; S58-H61 PolarHBondContact O-N 3.47Å; S58-I62 WeakPolarHBondContact O-CG1 3.49Å; S58-I62 PolarHBondContact O-N 3.41Å
59V98.8Very high98.5Very high21 Ų2166 Ų6613%0.12733%0.334CS..Hα-helixtrans-66.2-37.7173.3176.20000111.5Y48 A55 F56 S57 I62 C63Y48-V59 HydrophobicContact CD2-CG2 3.9Å; Y48-V59 HydrophobicContact CE2-CG2 4.06Å; A55-V59 PolarHBondContact O-N 3.22Å; F56-V59 PolarHBondContact O-N 3.3Å; S57-V59 PolarHBondContact O-N 3.09Å; V59-I62 PolarHBondContact O-N 3.09Å; V59-C63 PolarHBondContact O-N 2.6Å; V59-C63 PolarHBondContact O-SG 3.36Å
60T98.6Very high98.5Very high38 Ų3869.5 Ų69.523%0.23334%0.34CS..Hα-helixtrans-67.8-38.1174.4650000112.8F56 S57 S58 C63 R64F56-T60 HydrophobicContact CD1-CG2 4.14Å; F56-T60 HydrophobicContact CE1-CG2 3.75Å; F56-T60 HydrophobicContact CZ-CG2 4.24Å; F56-T60 PolarHBondContact O-N 3.21Å; F56-T60 VanDerWaalsContact O-N 3.09Å; S57-T60 WeakPolarHBondContact CA-OG1 3.33Å; S57-T60 PolarHBondContact O-N 3.32Å; S57-T60 VanDerWaalsContact O-N 3.14Å; S57-T60 PolarHBondContact O-OG1 3.05Å; S58-T60 VanDerWaalsContact C-N 3.35Å; S58-T60 PolarHBondContact O-N 2.82Å; T60-C63 PolarHBondContact O-N 3.39Å; T60-R64 WeakPolarHBondContact O-CB 3.41Å; T60-R64 WeakPolarHBondContact O-CG 3.25Å; T60-R64 PolarHBondContact O-N 3.17Å
61H98.8Very high98.6Very high80 Ų8071.5 Ų71.537%0.3735%0.348SS..Hα-helixtrans-61.8-44.7174.3165.4-90.4000110.9S57 S58 C63 R64 D65 V66S57-H61 WeakPolarHBondContact O-CB 3.25Å; S57-H61 PolarHBondContact O-N 3.16Å; S58-H61 WeakPolarHBondContact O-CB 3.45Å; S58-H61 PolarHBondContact O-N 3.47Å; H61-C63 VanDerWaalsContact C-N 3.26Å; H61-C63 PolarHBondContact O-N 2.91Å; H61-R64 PolarHBondContact O-N 3.25Å; H61-D65 IonicContact CD2-OD2 3.87Å; H61-D65 PolarHBondContact CD2-OD2 3.06Å; H61-D65 VanDerWaalsContact CD2-OD2 3.29Å; H61-D65 IonicContact CG-OD2 2.67Å; H61-D65 WeakPolarHBondContact O-CB 3.27Å; H61-D65 PolarHBondContact O-N 2.97Å; H61-V66 PolarHBondContact O-N 3.46Å
62I98.8Very high98.6Very high5 Ų571.6 Ų71.63%0.02635%0.348CS..Hα-helixtrans-53.2-46.2172.5-72166.9000111L44 H47 S58 V59 R64 G69 R73L44-I62 HydrophobicContact CD2-CD1 4.28Å; L44-I62 HydrophobicContact CD2-CG2 3.57Å; H47-I62 HydrophobicContact CB-CD1 3.93Å; H47-I62 HydrophobicContact CB-CG1 3.55Å; S58-I62 WeakPolarHBondContact O-CG1 3.49Å; S58-I62 PolarHBondContact O-N 3.41Å; V59-I62 PolarHBondContact O-N 3.09Å; I62-R64 PolarHBondContact O-N 3.48Å; I62-G69 CarbonylContact O-C 3.52Å; I62-G69 VanDerWaalsContact O-CA 3.25Å; I62-G69 WeakPolarHBondContact O-CA 3.43Å; I62-R73 HydrophobicContact CG2-CB 4.39Å
63C98.7Very high98.6Very high30 Ų3073.9 Ų73.920%0.20335%0.353CS..Hα-helixtrans-73-26.9-176.4-62.60000113.5V59 T60 H61V59-C63 PolarHBondContact O-N 2.6Å; V59-C63 PolarHBondContact O-SG 3.36Å; T60-C63 PolarHBondContact O-N 3.39Å; H61-C63 VanDerWaalsContact C-N 3.26Å; H61-C63 PolarHBondContact O-N 2.91Å
64R98.6Very high98.6Very high195 Ų19571.6 Ų71.674%0.73634%0.337SS*.Hα-helixtrans-105.8-35.8-169.3-69.9178.1173.9152.6-1.6113.8T60 H61 I62T60-R64 WeakPolarHBondContact O-CB 3.41Å; T60-R64 WeakPolarHBondContact O-CG 3.25Å; T60-R64 PolarHBondContact O-N 3.17Å; H61-R64 PolarHBondContact O-N 3.25Å; I62-R64 PolarHBondContact O-N 3.48Å
65D98.6Very high98.6Very high111 Ų11172.2 Ų72.259%0.59434%0.337SS*.THydrogen-bonded Turntrans-118.2-22.4-164.7-52-46.7000112.6H61H61-D65 IonicContact CD2-OD2 3.87Å; H61-D65 PolarHBondContact CD2-OD2 3.06Å; H61-D65 VanDerWaalsContact CD2-OD2 3.29Å; H61-D65 IonicContact CG-OD2 2.67Å; H61-D65 WeakPolarHBondContact O-CB 3.27Å; H61-D65 PolarHBondContact O-N 2.97Å
66V98.6Very high98.7Very high26 Ų2673.8 Ų73.816%0.15834%0.344CS..SBendtrans-84129.8174.9179.80000110H47 H61 Y68 G69H47-V66 HydrophobicContact CB-CG2 4.36Å; H61-V66 PolarHBondContact O-N 3.46Å; V66-Y68 PolarHBondContact O-N 3.48Å; V66-G69 PolarHBondContact O-N 3.38Å
67N98.6Very high98.7Very high145 Ų14570.2 Ų70.278%0.77534%0.337SS*.THydrogen-bonded Turntrans-54.4121.5177-69.3-37.3000111.2G69N67-G69 PolarHBondContact O-N 2.82Å
68Y98.6Very high98.7Very high169 Ų16971.3 Ų71.366%0.66334%0.338SS*.THydrogen-bonded Turntrans56.113.9-173.9-56.1-81.1000115V66 W70 L71 I72V66-Y68 PolarHBondContact O-N 3.48Å; Y68-W70 VanDerWaalsContact C-N 3.28Å; Y68-W70 PolarHBondContact O-N 3.18Å; Y68-L71 WeakPolarHBondContact O-CB 3.25Å; Y68-L71 PolarHBondContact O-N 3.28Å; Y68-I72 PolarHBondContact O-N 3.33Å; Y68-I72 VanDerWaalsContact O-N 3.1Å
69G98.7Very high98.7Very high1 Ų171 Ų711%0.0134%0.336CS..Hα-helixtrans-64.6-32-177.700000113I62 V66 N67 L71 I72 R73I62-G69 CarbonylContact O-C 3.52Å; I62-G69 VanDerWaalsContact O-CA 3.25Å; I62-G69 WeakPolarHBondContact O-CA 3.43Å; V66-G69 PolarHBondContact O-N 3.38Å; N67-G69 PolarHBondContact O-N 2.82Å; G69-L71 VanDerWaalsContact C-N 3.35Å; G69-L71 PolarHBondContact O-N 3.2Å; G69-I72 PolarHBondContact O-N 3.43Å; G69-R73 VanDerWaalsContact O-CB 3.27Å; G69-R73 WeakPolarHBondContact O-CB 3.41Å; G69-R73 PolarHBondContact O-N 2.65Å
70W98.6Very high98.7Very high135 Ų13571.4 Ų71.451%0.51134%0.342SS..Hα-helixtrans-58-46.3169.866.7-90.6000111.7Y68 R73 Y74Y68-W70 VanDerWaalsContact C-N 3.28Å; Y68-W70 PolarHBondContact O-N 3.18Å; W70-R73 PolarHBondContact O-N 2.86Å; W70-Y74 HydrophobicContact CB-CD2 4.4Å; W70-Y74 HydrophobicContact CB-CE2 4.39Å; W70-Y74 HydrophobicContact CE3-CD2 4.17Å; W70-Y74 WeakPolarHBondContact O-CD2 3.32Å; W70-Y74 PolarHBondContact O-N 3.03Å
71L98.6Very high98.7Very high74 Ų7473 Ų7339%0.38735%0.354SS..Hα-helixtrans-63.6-47.8-178.7175.764000110.2Y68 G69 R73 Y74 M75Y68-L71 WeakPolarHBondContact O-CB 3.25Å; Y68-L71 PolarHBondContact O-N 3.28Å; G69-L71 VanDerWaalsContact C-N 3.35Å; G69-L71 PolarHBondContact O-N 3.2Å; L71-R73 VanDerWaalsContact C-N 3.33Å; L71-R73 PolarHBondContact O-N 3.42Å; L71-Y74 PolarHBondContact O-N 3.19Å; L71-M75 VanDerWaalsContact O-CB 3.26Å; L71-M75 WeakPolarHBondContact O-CB 3.38Å; L71-M75 PolarHBondContact O-N 2.9Å
72I98.7Very high98.7Very high42 Ų4270.1 Ų70.122%0.21534%0.341CS..Hα-helixtrans-60.7-44.4178-59.9172.1000110.4T40 F43 L44 Y68 G69 M75 H76T40-I72 HydrophobicContact CG2-CG2 4.2Å; F43-I72 HydrophobicContact CB-CD1 4.27Å; F43-I72 HydrophobicContact CB-CG2 4.27Å; L44-I72 HydrophobicContact CD1-CG2 4.43Å; L44-I72 HydrophobicContact CD2-CB 4.45Å; L44-I72 HydrophobicContact CD2-CG2 3.95Å; L44-I72 HydrophobicContact CG-CG2 3.82Å; Y68-I72 PolarHBondContact O-N 3.33Å; Y68-I72 VanDerWaalsContact O-N 3.1Å; G69-I72 PolarHBondContact O-N 3.43Å; I72-M75 PolarHBondContact O-N 2.92Å; I72-H76 WeakPolarHBondContact O-CB 3.36Å; I72-H76 PolarHBondContact O-N 3.44Å
73R98.7Very high98.6Very high79 Ų7970.8 Ų70.830%0.29834%0.344SS..Hα-helixtrans-62.3-46.1178.8-179-89.5177.3141.30.6111.8L44 I62 G69 W70 L71 H76 A77L44-R73 HydrophobicContact CD2-CB 3.98Å; I62-R73 HydrophobicContact CG2-CB 4.39Å; G69-R73 VanDerWaalsContact O-CB 3.27Å; G69-R73 WeakPolarHBondContact O-CB 3.41Å; G69-R73 PolarHBondContact O-N 2.65Å; W70-R73 PolarHBondContact O-N 2.86Å; L71-R73 VanDerWaalsContact C-N 3.33Å; L71-R73 PolarHBondContact O-N 3.42Å; R73-H76 PolarHBondContact O-N 3.3Å; R73-A77 WeakPolarHBondContact O-CB 3.36Å; R73-A77 PolarHBondContact O-N 3.39Å
74Y98.6Very high98.6Very high112 Ų11271.4 Ų71.444%0.43934%0.343SS..Hα-helixtrans-72.3-34.6-179.3-74.5-62.1000112.2W70 L71 A77 N78W70-Y74 HydrophobicContact CB-CD2 4.4Å; W70-Y74 HydrophobicContact CB-CE2 4.39Å; W70-Y74 HydrophobicContact CE3-CD2 4.17Å; W70-Y74 WeakPolarHBondContact O-CD2 3.32Å; W70-Y74 PolarHBondContact O-N 3.03Å; L71-Y74 PolarHBondContact O-N 3.19Å; Y74-A77 PolarHBondContact O-N 3.4Å; Y74-N78 WeakPolarHBondContact O-CB 3.3Å; Y74-N78 PolarHBondContact O-N 2.91Å; Y74-N78 PolarHBondContact O-ND2 3.34Å; Y74-N78 VanDerWaalsContact O-ND2 3.1Å
75M98.7Very high98.7Very high66 Ų6666.4 Ų66.433%0.32533%0.33SS..Hα-helixtrans-62.4-43171.4-172.6179-68.700111.2V36 T40 L71 I72 G79V36-M75 HydrophobicContact CG1-CG 3.93Å; V36-M75 HydrophobicContact CG1-SD 4.07Å; T40-M75 HydrophobicContact CG2-CB 4.27Å; T40-M75 HydrophobicContact CG2-CG 4.03Å; T40-M75 HydrophobicContact CG2-SD 3.77Å; L71-M75 VanDerWaalsContact O-CB 3.26Å; L71-M75 WeakPolarHBondContact O-CB 3.38Å; L71-M75 PolarHBondContact O-N 2.9Å; I72-M75 PolarHBondContact O-N 2.92Å; M75-G79 WeakPolarHBondContact O-CA 3.35Å; M75-G79 PolarHBondContact O-N 3.36Å
76H98.8Very high98.7Very high33 Ų3361.3 Ų61.315%0.15330%0.303CS..Hα-helixtrans-66.3-40.7176.8-165.882000112.6Q37 T40 G41 L44 I72 R73 A80Q37-H76 PolarHBondContact NE2-O 2.89Å; Q37-H76 PolarHBondContact O-CE1 3.1Å; Q37-H76 VanDerWaalsContact O-CE1 3.24Å; Q37-H76 PolarHBondContact O-ND1 3.43Å; Q37-H76 PolarHBondContact OE1-O 3.13Å; T40-H76 PolarHBondContact OG1-ND1 3.04Å; G41-H76 VanDerWaalsContact CA-CE1 3.44Å; G41-H76 WeakPolarHBondContact CA-CE1 3.16Å; G41-H76 PolarHBondContact N-ND1 3.19Å; L44-H76 HydrophobicContact CD1-CB 3.51Å; I72-H76 WeakPolarHBondContact O-CB 3.36Å; I72-H76 PolarHBondContact O-N 3.44Å; R73-H76 PolarHBondContact O-N 3.3Å; H76-A80 PolarHBondContact O-N 3.29Å
77A98.6Very high98.7Very high44 Ų4460.6 Ų60.636%0.36430%0.299SS..Hα-helixtrans-71-51.7-179.200000112.3R73 Y74 G79 A80R73-A77 WeakPolarHBondContact O-CB 3.36Å; R73-A77 PolarHBondContact O-N 3.39Å; Y74-A77 PolarHBondContact O-N 3.4Å; A77-G79 VanDerWaalsContact C-N 3.34Å; A77-A80 WeakPolarHBondContact O-CB 3.19Å; A77-A80 PolarHBondContact O-N 3.47Å
78N98.7Very high98.7Very high82 Ų8259.8 Ų59.844%0.43929%0.288SS..Hα-helixtrans-72.1-30.7177.9-66.1-52.4000111.7Y74 A80 S81 M82 L232Y74-N78 WeakPolarHBondContact O-CB 3.3Å; Y74-N78 PolarHBondContact O-N 2.91Å; Y74-N78 PolarHBondContact O-ND2 3.34Å; Y74-N78 VanDerWaalsContact O-ND2 3.1Å; N78-A80 VanDerWaalsContact C-N 3.27Å; N78-A80 PolarHBondContact O-N 2.83Å; N78-S81 WeakPolarHBondContact O-CB 3.43Å; N78-S81 PolarHBondContact O-N 3.27Å; N78-S81 VanDerWaalsContact O-N 3.07Å; N78-M82 PolarHBondContact O-N 2.94Å; N78-L232 HydrophobicContact CB-CD1 3.92Å
79G98.8Very high98.7Very high3 Ų354.6 Ų54.63%0.03127%0.272CS..Hα-helixtrans-61.2-35.2173.900000112.2M75 A77 M82 F83M75-G79 WeakPolarHBondContact O-CA 3.35Å; M75-G79 PolarHBondContact O-N 3.36Å; A77-G79 VanDerWaalsContact C-N 3.34Å; G79-M82 PolarHBondContact O-N 2.83Å; G79-F83 WeakPolarHBondContact O-CB 3.38Å; G79-F83 PolarHBondContact O-N 3.27Å
80A98.7Very high98.7Very high30 Ų3056.4 Ų56.425%0.24828%0.28CS..Hα-helixtrans-62.4-42.5171.300000112H76 A77 N78 F83 F84H76-A80 PolarHBondContact O-N 3.29Å; A77-A80 WeakPolarHBondContact O-CB 3.19Å; A77-A80 PolarHBondContact O-N 3.47Å; N78-A80 VanDerWaalsContact C-N 3.27Å; N78-A80 PolarHBondContact O-N 2.83Å; A80-F83 VanDerWaalsContact O-CB 3.32Å; A80-F83 WeakPolarHBondContact O-CB 3.15Å; A80-F83 PolarHBondContact O-N 3.1Å; A80-F84 WeakPolarHBondContact O-CD2 3.37Å; A80-F84 PolarHBondContact O-N 3.39Å
81S98.6Very high98.7Very high71 Ų7152.1 Ų52.150%0.49727%0.268SS..Hα-helixtrans-64.3-43.8174.7-61.90000112.1N78 F83 F84 I85N78-S81 WeakPolarHBondContact O-CB 3.43Å; N78-S81 PolarHBondContact O-N 3.27Å; N78-S81 VanDerWaalsContact O-N 3.07Å; S81-F83 VanDerWaalsContact C-N 3.27Å; S81-F83 PolarHBondContact O-N 3.22Å; S81-F84 PolarHBondContact O-N 3.4Å; S81-I85 WeakPolarHBondContact O-CG1 3.5Å; S81-I85 PolarHBondContact O-N 3.38Å
82M98.6Very high98.7Very high20 Ų2050.1 Ų50.110%0.09927%0.266CS..Hα-helixtrans-60.8-37.8175.2-174.360.881.300111.9N78 G79 F84 I85 C86 M228 I231 L232N78-M82 PolarHBondContact O-N 2.94Å; G79-M82 PolarHBondContact O-N 2.83Å; M82-F84 PolarHBondContact O-N 2.97Å; M82-I85 PolarHBondContact O-N 2.79Å; M82-C86 PolarHBondContact O-N 3.42Å; M82-C86 PolarHBondContact O-SG 2.88Å; M82-M228 HydrophobicContact CE-CG 4.08Å; M82-M228 HydrophobicContact CG-CG 3.78Å; M82-M228 HydrophobicContact CG-SD 4.01Å; M82-M228 HydrophobicContact SD-CG 3.89Å; M82-I231 HydrophobicContact CE-CB 4Å; M82-I231 HydrophobicContact CE-CG2 3.79Å; M82-L232 HydrophobicContact CB-CD1 4.1Å; M82-L232 HydrophobicContact CE-CB 4.33Å
83F98.7Very high98.7Very high18 Ų1849.2 Ų49.28%0.07926%0.26CS..Hα-helixtrans-56.3-51.9173.8-155.8137.2000110.1L30 C33 L34 Q37 G79 A80 S81 I85 C86 L87 V116L30-F83 HydrophobicContact CD2-CD2 3.52Å; L30-F83 HydrophobicContact CD2-CE2 3.47Å; L30-F83 VanDerWaalsContact CD2-CE2 3.47Å; C33-F83 HydrophobicContact CB-CB 4.11Å; C33-F83 HydrophobicContact CB-CD1 3.63Å; C33-F83 HydrophobicContact CB-CD2 4.48Å; C33-F83 HydrophobicContact CB-CE1 4.14Å; C33-F83 HydrophobicContact CB-CG 3.81Å; L34-F83 HydrophobicContact CB-CE1 3.97Å; L34-F83 HydrophobicContact CB-CZ 4.22Å; L34-F83 HydrophobicContact CD1-CE1 4.21Å; Q37-F83 HydrophobicContact CG-CD1 4.05Å; G79-F83 WeakPolarHBondContact O-CB 3.38Å; G79-F83 PolarHBondContact O-N 3.27Å; A80-F83 VanDerWaalsContact O-CB 3.32Å; A80-F83 WeakPolarHBondContact O-CB 3.15Å; A80-F83 PolarHBondContact O-N 3.1Å; S81-F83 VanDerWaalsContact C-N 3.27Å; S81-F83 PolarHBondContact O-N 3.22Å; F83-I85 PolarHBondContact O-N 3.39Å; F83-C86 PolarHBondContact O-N 3.19Å; F83-L87 HydrophobicContact CD2-CD1 4.44Å; F83-L87 HydrophobicContact CE2-CD1 4.41Å; F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.43Å; F83-L87 PolarHBondContact O-N 3.11Å; F83-V116 HydrophobicContact CD2-CG1 4.03Å; F83-V116 HydrophobicContact CE2-CG1 3.99Å; F83-V116 HydrophobicContact CE2-CG2 3.78Å; F83-V116 HydrophobicContact CG-CG1 4.5Å; F83-V116 HydrophobicContact CZ-CG1 4.4Å; F83-V116 HydrophobicContact CZ-CG2 3.81Å
84F98.8Very high98.7Very high44 Ų4445.6 Ų45.619%0.19325%0.247CC..Hα-helixtrans-65.4-37.2178.9-82.7-80.5000113.6A80 S81 M82 L87 F88 V116 M117 A120A80-F84 WeakPolarHBondContact O-CD2 3.37Å; A80-F84 PolarHBondContact O-N 3.39Å; S81-F84 PolarHBondContact O-N 3.4Å; M82-F84 PolarHBondContact O-N 2.97Å; F84-L87 PolarHBondContact O-N 3.29Å; F84-F88 HydrophobicContact CB-CD2 4.42Å; F84-F88 HydrophobicContact CB-CE2 3.99Å; F84-F88 HydrophobicContact CB-CZ 4.45Å; F84-F88 HydrophobicContact CD1-CE1 4.3Å; F84-F88 HydrophobicContact CD1-CE2 4.18Å; F84-F88 AromaticContact CD1-CZ 3.78Å; F84-F88 HydrophobicContact CD1-CZ 3.78Å; F84-F88 WeakPolarHBondContact O-CD2 3.39Å; F84-F88 VanDerWaalsContact O-CG 3.27Å; F84-F88 WeakPolarHBondContact O-CG 3.42Å; F84-F88 PolarHBondContact O-N 2.97Å; F84-V116 HydrophobicContact CE1-CG1 4.36Å; F84-V116 HydrophobicContact CE2-CG1 4.14Å; F84-V116 HydrophobicContact CZ-CG1 3.87Å; F84-M117 HydrophobicContact CE1-CG 3.86Å; F84-M117 HydrophobicContact CZ-CG 4.22Å; F84-A120 HydrophobicContact CE2-CB 3.48Å; F84-A120 VanDerWaalsContact CE2-CB 3.48Å; F84-A120 HydrophobicContact CZ-CB 3.87Å
85I98.7Very high98.7Very high90 Ų9044.9 Ų44.946%0.46225%0.25SS..Hα-helixtrans-58.2-51.2173.4-68.8166.7000109.6S81 M82 F83 L87 F88 L89S81-I85 WeakPolarHBondContact O-CG1 3.5Å; S81-I85 PolarHBondContact O-N 3.38Å; M82-I85 PolarHBondContact O-N 2.79Å; F83-I85 PolarHBondContact O-N 3.39Å; I85-L87 VanDerWaalsContact C-N 3.27Å; I85-L87 PolarHBondContact O-N 3Å; I85-F88 PolarHBondContact O-N 2.85Å; I85-L89 HydrophobicContact CG2-CD1 3.77Å; I85-L89 VanDerWaalsContact O-CG 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.21Å; I85-L89 PolarHBondContact O-N 3.36Å
86C98.8Very high98.7Very high3 Ų350.6 Ų50.62%0.0227%0.27CS..Hα-helixtrans-60.2-39.5176.9-67.90000111.8F26 L30 M82 F83 L89 H90F26-C86 HydrophobicContact CD1-CB 4.09Å; L30-C86 HydrophobicContact CD2-CB 3.77Å; L30-C86 HydrophobicContact CG-CB 4.02Å; M82-C86 PolarHBondContact O-N 3.42Å; M82-C86 PolarHBondContact O-SG 2.88Å; F83-C86 PolarHBondContact O-N 3.19Å; C86-L89 PolarHBondContact O-N 3.44Å; C86-H90 WeakPolarHBondContact O-CB 3.46Å; C86-H90 PolarHBondContact O-N 3.31Å
87L98.8Very high98.7Very high12 Ų1251.2 Ų51.26%0.06327%0.271CS..Hα-helixtrans-66-48.2-177.8-155.5170.9000110.5L30 F83 F84 I85 L89 H90 V91 L113 V116L30-L87 HydrophobicContact CD2-CB 3.95Å; L30-L87 HydrophobicContact CD2-CG 4.36Å; F83-L87 HydrophobicContact CD2-CD1 4.44Å; F83-L87 HydrophobicContact CE2-CD1 4.41Å; F83-L87 VanDerWaalsContact O-CB 3.3Å; F83-L87 WeakPolarHBondContact O-CB 3.43Å; F83-L87 PolarHBondContact O-N 3.11Å; F84-L87 PolarHBondContact O-N 3.29Å; I85-L87 VanDerWaalsContact C-N 3.27Å; I85-L87 PolarHBondContact O-N 3Å; L87-L89 PolarHBondContact O-N 3.06Å; L87-H90 WeakPolarHBondContact O-CB 3.25Å; L87-H90 PolarHBondContact O-N 2.98Å; L87-V91 HydrophobicContact CD2-CG2 3.75Å; L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 3.31Å; L87-L113 HydrophobicContact CD1-CD1 3.93Å; L87-L113 HydrophobicContact CD2-CB 4.24Å; L87-L113 HydrophobicContact CD2-CD1 3.51Å; L87-L113 HydrophobicContact CD2-CG 4.35Å; L87-L113 HydrophobicContact CG-CD1 4.38Å; L87-V116 HydrophobicContact CD1-CB 4.09Å; L87-V116 HydrophobicContact CD1-CG1 3.98Å; L87-V116 HydrophobicContact CD1-CG2 4.4Å
88F98.8Very high98.7Very high128 Ų12850 Ų5056%0.56126%0.263SS*.Hα-helixtrans-64.3-39.5177.8-63.1-39000112.4F84 I85 V91 G92F84-F88 HydrophobicContact CB-CD2 4.42Å; F84-F88 HydrophobicContact CB-CE2 3.99Å; F84-F88 HydrophobicContact CB-CZ 4.45Å; F84-F88 HydrophobicContact CD1-CE1 4.3Å; F84-F88 HydrophobicContact CD1-CE2 4.18Å; F84-F88 AromaticContact CD1-CZ 3.78Å; F84-F88 HydrophobicContact CD1-CZ 3.78Å; F84-F88 WeakPolarHBondContact O-CD2 3.39Å; F84-F88 VanDerWaalsContact O-CG 3.27Å; F84-F88 WeakPolarHBondContact O-CG 3.42Å; F84-F88 PolarHBondContact O-N 2.97Å; I85-F88 PolarHBondContact O-N 2.85Å; F88-V91 PolarHBondContact O-N 2.92Å; F88-G92 PolarHBondContact O-N 3.2Å
89L98.8Very high98.7Very high59 Ų5947 Ų4731%0.30925%0.248SC..Hα-helixtrans-67.4-37.4175.3-64.2167.9000111.4W23 F26 I85 C86 L87 G92 R93W23-L89 HydrophobicContact CH2-CD2 4.36Å; W23-L89 HydrophobicContact CZ3-CB 4.34Å; W23-L89 HydrophobicContact CZ3-CD2 3.8Å; F26-L89 HydrophobicContact CD1-CB 4.02Å; F26-L89 HydrophobicContact CD1-CD1 4.31Å; F26-L89 HydrophobicContact CD2-CB 3.88Å; F26-L89 HydrophobicContact CE1-CB 3.88Å; F26-L89 HydrophobicContact CE1-CD1 3.43Å; F26-L89 VanDerWaalsContact CE1-CD1 3.43Å; F26-L89 HydrophobicContact CE1-CG 4.29Å; F26-L89 HydrophobicContact CE2-CB 3.74Å; F26-L89 HydrophobicContact CE2-CD1 4.18Å; F26-L89 HydrophobicContact CE2-CG 4.49Å; F26-L89 HydrophobicContact CG-CB 4.04Å; F26-L89 HydrophobicContact CZ-CB 3.76Å; F26-L89 HydrophobicContact CZ-CD1 3.37Å; F26-L89 HydrophobicContact CZ-CG 4.13Å; I85-L89 HydrophobicContact CG2-CD1 3.77Å; I85-L89 VanDerWaalsContact O-CG 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.21Å; I85-L89 PolarHBondContact O-N 3.36Å; C86-L89 PolarHBondContact O-N 3.44Å; L87-L89 PolarHBondContact O-N 3.06Å; L89-G92 PolarHBondContact O-N 3.07Å; L89-R93 WeakPolarHBondContact O-CB 3.3Å; L89-R93 PolarHBondContact O-N 2.91Å
90H98.8Very high98.7Very high39 Ų3952 Ų5218%0.18127%0.267CS..Hα-helixtrans-64.3-45175.2-169.398.1000112.3F26 G27 L30 C86 L87 R93 G94F26-H90 HydrophobicContact CB-CB 3.89Å; G27-H90 PolarHBondContact N-ND1 2.94Å; L30-H90 HydrophobicContact CD1-CB 3.77Å; C86-H90 WeakPolarHBondContact O-CB 3.46Å; C86-H90 PolarHBondContact O-N 3.31Å; L87-H90 WeakPolarHBondContact O-CB 3.25Å; L87-H90 PolarHBondContact O-N 2.98Å; H90-R93 PolarHBondContact CE1-NH2 3.32Å; H90-R93 PolarHBondContact ND1-NH2 3.39Å; H90-R93 PolarHBondContact NE2-NH2 3.49Å; H90-G94 PolarHBondContact O-N 3.47Å; H90-G94 VanDerWaalsContact O-N 3.08Å
91V98.9Very high98.6Very high45 Ų4554.7 Ų54.727%0.27328%0.28SS..Hα-helixtrans-65.5-44.9175.4171.20000110.4L87 F88 R93 G94 L95 W106L87-V91 HydrophobicContact CD2-CG2 3.75Å; L87-V91 WeakPolarHBondContact O-CG2 3.41Å; L87-V91 PolarHBondContact O-N 3.31Å; F88-V91 PolarHBondContact O-N 2.92Å; V91-R93 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 3.28Å; V91-G94 WeakPolarHBondContact O-CA 3.47Å; V91-G94 PolarHBondContact O-N 3.46Å; V91-L95 HydrophobicContact CG1-CD1 4.25Å; V91-L95 HydrophobicContact CG1-CG 4.49Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 3.08Å; V91-W106 HydrophobicContact CG1-CH2 4.23Å
92G98.8Very high98.6Very high33 Ų3353.6 Ų53.634%0.3427%0.267SS..Hα-helixtrans-57.6-44.1176.900000112.5F88 L89 G94 L95 Y96F88-G92 PolarHBondContact O-N 3.2Å; L89-G92 PolarHBondContact O-N 3.07Å; G92-G94 VanDerWaalsContact C-N 3.31Å; G92-G94 PolarHBondContact O-N 2.84Å; G92-L95 PolarHBondContact O-N 3.22Å; G92-Y96 WeakPolarHBondContact O-CB 3.39Å; G92-Y96 PolarHBondContact O-N 3.36Å
93R98.8Very high98.6Very high23 Ų2357.4 Ų57.49%0.08729%0.286CS..Hα-helixtrans-55.8-47.8169.9177.1-78.1-67.1-98.1-4.7111W23 W24 L89 H90 V91 L95 Y96 Y97W23-R93 HydrophobicContact CB-CB 4.09Å; W23-R93 HydrophobicContact CB-CG 3.58Å; W24-R93 HydrophobicContact CE3-CG 4.23Å; W24-R93 HydrophobicContact CH2-CG 4.47Å; W24-R93 HydrophobicContact CZ3-CG 4.07Å; L89-R93 WeakPolarHBondContact O-CB 3.3Å; L89-R93 PolarHBondContact O-N 2.91Å; H90-R93 PolarHBondContact CE1-NH2 3.32Å; H90-R93 PolarHBondContact ND1-NH2 3.39Å; H90-R93 PolarHBondContact NE2-NH2 3.49Å; V91-R93 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 3.28Å; R93-L95 VanDerWaalsContact C-N 3.31Å; R93-L95 PolarHBondContact O-N 3.38Å; R93-Y96 PolarHBondContact O-N 2.84Å; R93-Y97 HydrophobicContact CG-CD2 3.82Å; R93-Y97 HydrophobicContact CG-CE2 4.19Å; R93-Y97 WeakPolarHBondContact O-CD2 3.36Å; R93-Y97 PolarHBondContact O-N 3.23Å
94G98.7Very high98.6Very high3 Ų361.8 Ų61.83%0.03131%0.306CS..Hα-helixtrans-61.9-38.3-177.500000113H90 V91 G92 G98 S99H90-G94 PolarHBondContact O-N 3.47Å; H90-G94 VanDerWaalsContact O-N 3.08Å; V91-G94 WeakPolarHBondContact O-CA 3.47Å; V91-G94 PolarHBondContact O-N 3.46Å; G92-G94 VanDerWaalsContact C-N 3.31Å; G92-G94 PolarHBondContact O-N 2.84Å; G94-G98 CarbonylContact O-C 3.59Å; G94-G98 PolarHBondContact O-N 3.43Å; G94-S99 PolarHBondContact O-N 3.45Å
95L98.7Very high98.6Very high97 Ų9760.3 Ų60.351%0.50830%0.301SS..Hα-helixtrans-67.9-51.7173-65.9173.4000111.7V91 G92 R93 Y97 G98 Y100 W106V91-L95 HydrophobicContact CG1-CD1 4.25Å; V91-L95 HydrophobicContact CG1-CG 4.49Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 3.08Å; G92-L95 PolarHBondContact O-N 3.22Å; R93-L95 VanDerWaalsContact C-N 3.31Å; R93-L95 PolarHBondContact O-N 3.38Å; L95-Y97 PolarHBondContact O-N 3.45Å; L95-G98 PolarHBondContact O-N 3.05Å; L95-Y100 HydrophobicContact CD2-CD1 4.34Å; L95-W106 HydrophobicContact CD2-CH2 3.73Å; L95-W106 HydrophobicContact CD2-CZ2 3.92Å; L95-W106 HydrophobicContact CG-CH2 4Å
96Y98.7Very high98.6Very high185 Ų18559.3 Ų59.373%0.72529%0.291SS*.Hα-helixtrans-62.4-41.4-173.7-174.5-92.7000112.9G92 R93G92-Y96 WeakPolarHBondContact O-CB 3.39Å; G92-Y96 PolarHBondContact O-N 3.36Å; R93-Y96 PolarHBondContact O-N 2.84Å
97Y98.6Very high98.6Very high47 Ų4763.3 Ų63.318%0.18431%0.312CS..THydrogen-bonded Turntrans-96.413.3-179.1-63.6-73.4000113.6W23 W24 R93 L95 S99 N199 P201W23-Y97 HydrophobicContact CB-CE2 4.36Å; W23-Y97 HydrophobicContact CG-CE2 4.31Å; W24-Y97 HydrophobicContact CH2-CD1 4.22Å; W24-Y97 AromaticContact CH2-CD2 3.61Å; W24-Y97 HydrophobicContact CH2-CD2 3.61Å; W24-Y97 HydrophobicContact CH2-CE2 4.08Å; W24-Y97 AromaticContact CH2-CG 3.67Å; W24-Y97 HydrophobicContact CH2-CG 3.67Å; W24-Y97 AromaticContact CZ3-CD2 3.64Å; W24-Y97 HydrophobicContact CZ3-CD2 3.64Å; W24-Y97 AromaticContact CZ3-CE2 3.64Å; W24-Y97 HydrophobicContact CZ3-CE2 3.64Å; W24-Y97 HydrophobicContact CZ3-CG 4.11Å; R93-Y97 HydrophobicContact CG-CD2 3.82Å; R93-Y97 HydrophobicContact CG-CE2 4.19Å; R93-Y97 WeakPolarHBondContact O-CD2 3.36Å; R93-Y97 PolarHBondContact O-N 3.23Å; L95-Y97 PolarHBondContact O-N 3.45Å; Y97-S99 PolarHBondContact O-N 2.83Å; Y97-N199 PolarHBondContact O-ND2 3.08Å; Y97-P201 HydrophobicContact CD1-CB 4.29Å; Y97-P201 HydrophobicContact CE1-CB 3.7Å; Y97-P201 HydrophobicContact CE1-CG 4.44Å
98G98.4Very high98.6Very high19 Ų1964 Ų6420%0.19632%0.316CS..THydrogen-bonded Turntrans64.723176.700000114.8G94 L95 Y100 T101G94-G98 CarbonylContact O-C 3.59Å; G94-G98 PolarHBondContact O-N 3.43Å; L95-G98 PolarHBondContact O-N 3.05Å; G98-Y100 PolarHBondContact O-N 3.01Å; G98-T101 WeakPolarHBondContact O-CG2 3.32Å; G98-T101 PolarHBondContact O-N 3.35Å; G98-T101 PolarHBondContact O-OG1 3.44Å
99S98.4Very high98.6Very high18 Ų1859 Ų5913%0.12630%0.301CS..G310 helixtrans-72-12-177.8-50.60000113G94 Y97 T101 F102 N199G94-S99 PolarHBondContact O-N 3.45Å; Y97-S99 PolarHBondContact O-N 2.83Å; S99-T101 PolarHBondContact O-N 2.91Å; S99-F102 PolarHBondContact O-N 3.42Å; S99-N199 PolarHBondContact OG-ND2 3.34Å
100Y98.2Very high98.6Very high108 Ų10858.5 Ų58.542%0.42430%0.3SS..G310 helixtrans-62.7-14.2171.160.1-101.1000113.5L95 G98 F102L95-Y100 HydrophobicContact CD2-CD1 4.34Å; G98-Y100 PolarHBondContact O-N 3.01Å; Y100-F102 PolarHBondContact O-N 3.41Å
101T98.1Very high98.6Very high86 Ų8661 Ų6153%0.52831%0.314SS..G310 helixtrans-65.4-20.3173.254.40000113.1G98 S99 M103G98-T101 WeakPolarHBondContact O-CG2 3.32Å; G98-T101 PolarHBondContact O-N 3.35Å; G98-T101 PolarHBondContact O-OG1 3.44Å; S99-T101 PolarHBondContact O-N 2.91Å; T101-M103 VanDerWaalsContact C-N 3.27Å; T101-M103 PolarHBondContact O-N 2.91Å
102F98.1Very high98.6Very high48 Ų4860 Ų6021%0.21131%0.307CS..SBendtrans-79.478.6166.2-56.3-32.5000109.2S99 Y100 E104 T105 W106 T196 N199S99-F102 PolarHBondContact O-N 3.42Å; Y100-F102 PolarHBondContact O-N 3.41Å; F102-E104 VanDerWaalsContact C-N 3.31Å; F102-E104 PolarHBondContact O-N 3.4Å; F102-T105 PolarHBondContact O-N 3.19Å; F102-W106 VanDerWaalsContact O-CB 3.29Å; F102-W106 WeakPolarHBondContact O-CB 3.28Å; F102-W106 PolarHBondContact O-N 3.29Å; F102-T196 HydrophobicContact CD1-CG2 4.28Å; F102-N199 HydrophobicContact CE2-CB 3.69Å; F102-N199 HydrophobicContact CZ-CB 3.98Å
103M98.3Very high98.6Very high101 Ų10160.2 Ų60.250%0.49830%0.3SS..Hα-helixtrans-56.6-40.7-163.7-66.1-65.6-81.100113.5T101 W106 N107T101-M103 VanDerWaalsContact C-N 3.27Å; T101-M103 PolarHBondContact O-N 2.91Å; M103-W106 PolarHBondContact O-N 3.39Å; M103-N107 WeakPolarHBondContact O-CB 3.33Å; M103-N107 PolarHBondContact O-N 3.2Å; M103-N107 PolarHBondContact O-ND2 3.28Å
104E98.4Very high98.6Very high110 Ų11065.1 Ų65.151%0.51432%0.322SS..Hα-helixtrans-70.6-52.1-176.3-66.166.2-159.600109.3F102 W106 N107 I108 F192F102-E104 VanDerWaalsContact C-N 3.31Å; F102-E104 PolarHBondContact O-N 3.4Å; E104-W106 VanDerWaalsContact C-N 3.31Å; E104-W106 PolarHBondContact O-N 3.05Å; E104-N107 PolarHBondContact O-N 3.27Å; E104-I108 WeakPolarHBondContact O-CG1 3.45Å; E104-I108 PolarHBondContact O-N 3.12Å; E104-F192 HydrophobicContact CB-CB 4.15Å; E104-F192 HydrophobicContact CB-CD1 3.65Å; E104-F192 HydrophobicContact CB-CD2 4.11Å; E104-F192 HydrophobicContact CB-CE1 3.99Å; E104-F192 HydrophobicContact CB-CE2 4.41Å; E104-F192 HydrophobicContact CB-CG 3.72Å; E104-F192 HydrophobicContact CB-CZ 4.36Å; E104-F192 HydrophobicContact CG-CD1 4.15Å; E104-F192 HydrophobicContact CG-CE1 4.11Å
105T98.7Very high98.6Very high13 Ų1365.7 Ų65.78%0.0833%0.327CS..Hα-helixtrans-55.9-47.1173.3-55.60000110.5F102 I108 G109 H189 F192 L193F102-T105 PolarHBondContact O-N 3.19Å; T105-I108 PolarHBondContact O-N 3.28Å; T105-G109 PolarHBondContact O-N 2.96Å; T105-H189 VanDerWaalsContact CG2-CE1 3.43Å; T105-H189 WeakPolarHBondContact CG2-CE1 3.26Å; T105-H189 PolarHBondContact O-CE1 3.43Å; T105-H189 PolarHBondContact O-ND1 3.12Å; T105-F192 VanDerWaalsContact OG1-C 3.31Å; T105-F192 WeakPolarHBondContact OG1-CB 3.45Å; T105-L193 HydrophobicContact CG2-CB 4.11Å; T105-L193 HydrophobicContact CG2-CD1 4.41Å; T105-L193 PolarHBondContact OG1-N 3.35Å
106W98.8Very high98.6Very high68 Ų6861.5 Ų61.526%0.25831%0.305SS..Hα-helixtrans-62.9-48.3180-177.1-101.9000112.6V91 L95 F102 M103 E104 I108 G109 V110V91-W106 HydrophobicContact CG1-CH2 4.23Å; L95-W106 HydrophobicContact CD2-CH2 3.73Å; L95-W106 HydrophobicContact CD2-CZ2 3.92Å; L95-W106 HydrophobicContact CG-CH2 4Å; F102-W106 VanDerWaalsContact O-CB 3.29Å; F102-W106 WeakPolarHBondContact O-CB 3.28Å; F102-W106 PolarHBondContact O-N 3.29Å; M103-W106 PolarHBondContact O-N 3.39Å; E104-W106 VanDerWaalsContact C-N 3.31Å; E104-W106 PolarHBondContact O-N 3.05Å; W106-I108 PolarHBondContact O-N 2.88Å; W106-G109 CarbonylContact O-C 3.51Å; W106-G109 VanDerWaalsContact O-CA 3.29Å; W106-G109 WeakPolarHBondContact O-CA 3.49Å; W106-G109 PolarHBondContact O-N 3.32Å; W106-V110 PolarHBondContact O-N 2.94Å
107N98.7Very high98.6Very high87 Ų8756.9 Ų56.947%0.46529%0.291SS..Hα-helixtrans-65.1-39.6-179.6-73.6-34.9000111.8M103 E104 G109 V110 L111M103-N107 WeakPolarHBondContact O-CB 3.33Å; M103-N107 PolarHBondContact O-N 3.2Å; M103-N107 PolarHBondContact O-ND2 3.28Å; E104-N107 PolarHBondContact O-N 3.27Å; N107-G109 VanDerWaalsContact C-N 3.27Å; N107-G109 PolarHBondContact O-N 3.47Å; N107-V110 PolarHBondContact O-N 3.47Å; N107-L111 PolarHBondContact O-N 3.13Å; N107-L111 VanDerWaalsContact O-N 3.07Å
108I98.8Very high98.6Very high27 Ų2756.5 Ų56.514%0.13830%0.298CS..Hα-helixtrans-63.5-36.7170.3-61.8-61.9000110.7E104 T105 W106 V110 L111 L112 V188 H189 F192E104-I108 WeakPolarHBondContact O-CG1 3.45Å; E104-I108 PolarHBondContact O-N 3.12Å; T105-I108 PolarHBondContact O-N 3.28Å; W106-I108 PolarHBondContact O-N 2.88Å; I108-V110 VanDerWaalsContact C-N 3.32Å; I108-V110 PolarHBondContact O-N 3.5Å; I108-L111 HydrophobicContact CD1-CD1 4.19Å; I108-L111 PolarHBondContact O-N 3.36Å; I108-L112 HydrophobicContact CG2-CD1 4.24Å; I108-L112 HydrophobicContact CG2-CG 4.49Å; I108-L112 WeakPolarHBondContact O-CG 3.47Å; I108-L112 PolarHBondContact O-N 3.32Å; I108-V188 HydrophobicContact CD1-CG1 4.14Å; I108-V188 HydrophobicContact CG1-CG1 4.23Å; I108-H189 HydrophobicContact CB-CB 4.43Å; I108-H189 HydrophobicContact CG2-CB 3.64Å; I108-F192 HydrophobicContact CG1-CD2 4.06Å; I108-F192 HydrophobicContact CG1-CE2 4.2Å
109G98.8Very high98.6Very high23 Ų2356.2 Ų56.224%0.23729%0.292CS..Hα-helixtrans-59.2-39.6172.900000113.3T105 W106 N107 L112 L113 H189T105-G109 PolarHBondContact O-N 2.96Å; W106-G109 CarbonylContact O-C 3.51Å; W106-G109 VanDerWaalsContact O-CA 3.29Å; W106-G109 WeakPolarHBondContact O-CA 3.49Å; W106-G109 PolarHBondContact O-N 3.32Å; N107-G109 VanDerWaalsContact C-N 3.27Å; N107-G109 PolarHBondContact O-N 3.47Å; G109-L112 WeakPolarHBondContact O-CB 3.44Å; G109-L112 PolarHBondContact O-N 2.91Å; G109-L113 PolarHBondContact O-N 3.12Å; G109-H189 PolarHBondContact N-ND1 3.05Å
110V98.8Very high98.6Very high48 Ų4856.9 Ų56.929%0.29130%0.299SS..Hα-helixtrans-65.6-42.2173.9174.40000111.3W106 N107 I108 L112 L113 F114W106-V110 PolarHBondContact O-N 2.94Å; N107-V110 PolarHBondContact O-N 3.47Å; I108-V110 VanDerWaalsContact C-N 3.32Å; I108-V110 PolarHBondContact O-N 3.5Å; V110-L112 VanDerWaalsContact C-N 3.35Å; V110-L112 PolarHBondContact O-N 3.28Å; V110-L113 WeakPolarHBondContact O-CB 3.46Å; V110-L113 PolarHBondContact O-N 3.4Å; V110-F114 HydrophobicContact CG1-CD2 3.85Å; V110-F114 HydrophobicContact CG1-CE2 3.48Å; V110-F114 VanDerWaalsContact CG1-CE2 3.48Å; V110-F114 HydrophobicContact CG1-CZ 4.43Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.44Å; V110-F114 PolarHBondContact O-N 3.29Å; V110-F114 VanDerWaalsContact O-N 3.08Å
111L98.8Very high98.7Very high92 Ų9254.6 Ų54.648%0.48229%0.291SS..Hα-helixtrans-62.5-41.7174.3-66-180000112N107 I108 F114 A115N107-L111 PolarHBondContact O-N 3.13Å; N107-L111 VanDerWaalsContact O-N 3.07Å; I108-L111 HydrophobicContact CD1-CD1 4.19Å; I108-L111 PolarHBondContact O-N 3.36Å; L111-F114 PolarHBondContact O-N 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.32Å
112L98.9Very high98.7Very high25 Ų2551.4 Ų51.413%0.13127%0.27CS..Hα-helixtrans-59.8-44.7174.2-79.5166.9000111.7I108 G109 V110 F114 A115 V116 I182 L185 A186 H189I108-L112 HydrophobicContact CG2-CD1 4.24Å; I108-L112 HydrophobicContact CG2-CG 4.49Å; I108-L112 WeakPolarHBondContact O-CG 3.47Å; I108-L112 PolarHBondContact O-N 3.32Å; G109-L112 WeakPolarHBondContact O-CB 3.44Å; G109-L112 PolarHBondContact O-N 2.91Å; V110-L112 VanDerWaalsContact C-N 3.35Å; V110-L112 PolarHBondContact O-N 3.28Å; L112-F114 PolarHBondContact O-N 3.47Å; L112-A115 PolarHBondContact O-N 3.34Å; L112-V116 VanDerWaalsContact O-CG2 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 3.14Å; L112-I182 HydrophobicContact CD2-CG2 3.84Å; L112-L185 HydrophobicContact CD2-CB 3.56Å; L112-L185 HydrophobicContact CG-CB 4.05Å; L112-A186 HydrophobicContact CD2-CB 4.44Å; L112-H189 HydrophobicContact CD1-CB 3.81Å
113L98.8Very high98.7Very high37 Ų3749.9 Ų49.919%0.19427%0.269CS..Hα-helixtrans-56.1-51.8175.4168.162.6000111.1L87 G109 V110 A115 V116 M117L87-L113 HydrophobicContact CD1-CD1 3.93Å; L87-L113 HydrophobicContact CD2-CB 4.24Å; L87-L113 HydrophobicContact CD2-CD1 3.51Å; L87-L113 HydrophobicContact CD2-CG 4.35Å; L87-L113 HydrophobicContact CG-CD1 4.38Å; G109-L113 PolarHBondContact O-N 3.12Å; V110-L113 WeakPolarHBondContact O-CB 3.46Å; V110-L113 PolarHBondContact O-N 3.4Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.7Å; L113-V116 PolarHBondContact O-N 3.46Å; L113-M117 HydrophobicContact CD1-CG 4.07Å; L113-M117 HydrophobicContact CD1-SD 3.82Å; L113-M117 HydrophobicContact CG-SD 3.96Å; L113-M117 VanDerWaalsContact O-CG 3.27Å; L113-M117 WeakPolarHBondContact O-CG 3.38Å; L113-M117 PolarHBondContact O-N 3.47Å
114F98.8Very high98.7Very high125 Ų12551.7 Ų51.755%0.54827%0.271SS..Hα-helixtrans-64.6-37.5179.6-71.5-52.4000113V110 L111 L112 M117 A118V110-F114 HydrophobicContact CG1-CD2 3.85Å; V110-F114 HydrophobicContact CG1-CE2 3.48Å; V110-F114 VanDerWaalsContact CG1-CE2 3.48Å; V110-F114 HydrophobicContact CG1-CZ 4.43Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.44Å; V110-F114 PolarHBondContact O-N 3.29Å; V110-F114 VanDerWaalsContact O-N 3.08Å; L111-F114 PolarHBondContact O-N 3.24Å; L112-F114 PolarHBondContact O-N 3.47Å; F114-M117 HydrophobicContact CD1-SD 4.12Å; F114-M117 PolarHBondContact O-N 2.82Å; F114-A118 WeakPolarHBondContact O-CB 3.37Å; F114-A118 PolarHBondContact O-N 3.28Å
115A98.8Very high98.7Very high15 Ų1546.5 Ų46.512%0.12425%0.247CC..Hα-helixtrans-64.6-43.1176.500000111.8L111 L112 L113 A118 T119 I182L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 3.32Å; L112-A115 PolarHBondContact O-N 3.34Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-A115 PolarHBondContact O-N 2.7Å; A115-A118 PolarHBondContact O-N 3.19Å; A115-T119 WeakPolarHBondContact O-CB 3.43Å; A115-T119 PolarHBondContact O-N 3.24Å; A115-T119 PolarHBondContact O-OG1 2.85Å; A115-I182 HydrophobicContact CB-CD1 4.17Å; A115-I182 HydrophobicContact CB-CG1 3.66Å
116V98.8Very high98.7Very high9 Ų946.7 Ų46.76%0.05525%0.247CC..Hα-helixtrans-65.4-41.1175.5173.80000110.9F83 F84 L87 L112 L113 T119 A120 I182F83-V116 HydrophobicContact CD2-CG1 4.03Å; F83-V116 HydrophobicContact CE2-CG1 3.99Å; F83-V116 HydrophobicContact CE2-CG2 3.78Å; F83-V116 HydrophobicContact CG-CG1 4.5Å; F83-V116 HydrophobicContact CZ-CG1 4.4Å; F83-V116 HydrophobicContact CZ-CG2 3.81Å; F84-V116 HydrophobicContact CE1-CG1 4.36Å; F84-V116 HydrophobicContact CE2-CG1 4.14Å; F84-V116 HydrophobicContact CZ-CG1 3.87Å; L87-V116 HydrophobicContact CD1-CB 4.09Å; L87-V116 HydrophobicContact CD1-CG1 3.98Å; L87-V116 HydrophobicContact CD1-CG2 4.4Å; L112-V116 VanDerWaalsContact O-CG2 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 3.44Å; L112-V116 PolarHBondContact O-N 3.14Å; L113-V116 PolarHBondContact O-N 3.46Å; V116-T119 PolarHBondContact O-N 2.93Å; V116-A120 WeakPolarHBondContact O-CB 3.33Å; V116-A120 PolarHBondContact O-N 2.95Å; V116-I182 HydrophobicContact CG2-CD1 3.86Å; V116-I182 HydrophobicContact CG2-CG1 4.43Å; V116-I182 HydrophobicContact CG2-CG2 4.21Å
117M98.7Very high98.7Very high89 Ų8945.3 Ų45.344%0.43825%0.247SC..Hα-helixtrans-57.6-50.6173.7-73173.869.900112.3F84 L113 F114 T119 A120 F121F84-M117 HydrophobicContact CE1-CG 3.86Å; F84-M117 HydrophobicContact CZ-CG 4.22Å; L113-M117 HydrophobicContact CD1-CG 4.07Å; L113-M117 HydrophobicContact CD1-SD 3.82Å; L113-M117 HydrophobicContact CG-SD 3.96Å; L113-M117 VanDerWaalsContact O-CG 3.27Å; L113-M117 WeakPolarHBondContact O-CG 3.38Å; L113-M117 PolarHBondContact O-N 3.47Å; F114-M117 HydrophobicContact CD1-SD 4.12Å; F114-M117 PolarHBondContact O-N 2.82Å; M117-T119 VanDerWaalsContact C-N 3.34Å; M117-T119 PolarHBondContact O-N 3.27Å; M117-A120 PolarHBondContact O-N 3.37Å; M117-F121 WeakPolarHBondContact O-CB 3.37Å; M117-F121 PolarHBondContact O-N 2.98Å
118A98.6Very high98.7Very high39 Ų3943.1 Ų43.132%0.32223%0.232SC..Hα-helixtrans-60.5-45.4177.600000111.4F114 A115 F121 M122 L178F114-A118 WeakPolarHBondContact O-CB 3.37Å; F114-A118 PolarHBondContact O-N 3.28Å; A115-A118 PolarHBondContact O-N 3.19Å; A118-F121 PolarHBondContact O-N 3.5Å; A118-M122 HydrophobicContact CB-CE 4Å; A118-M122 WeakPolarHBondContact O-CE 3.38Å; A118-M122 PolarHBondContact O-N 3.06Å; A118-L178 HydrophobicContact CB-CD1 4.44Å
119T98.9Very high98.6Very high13 Ų1342.7 Ų42.78%0.0824%0.235CC..Hα-helixtrans-59.4-50179.2-56.70000111.4A115 V116 M117 M122 G123 H175 L178 P179 I182A115-T119 WeakPolarHBondContact O-CB 3.43Å; A115-T119 PolarHBondContact O-N 3.24Å; A115-T119 PolarHBondContact O-OG1 2.85Å; V116-T119 PolarHBondContact O-N 2.93Å; M117-T119 VanDerWaalsContact C-N 3.34Å; M117-T119 PolarHBondContact O-N 3.27Å; T119-M122 PolarHBondContact O-N 3.34Å; T119-G123 PolarHBondContact O-N 2.92Å; T119-H175 PolarHBondContact O-CE1 3.5Å; T119-H175 PolarHBondContact O-ND1 3.4Å; T119-L178 HydrophobicContact CG2-CB 4.42Å; T119-L178 VanDerWaalsContact OG1-CB 3.22Å; T119-L178 WeakPolarHBondContact OG1-CB 3.46Å; T119-P179 HydrophobicContact CG2-CG 3.9Å; T119-I182 WeakPolarHBondContact OG1-CD1 3.49Å
120A98.7Very high98.6Very high31 Ų3148.3 Ų48.326%0.25626%0.255SS..Hα-helixtrans-66.7-39.8-178.600000112.5F84 V116 M117 G123 Y124F84-A120 HydrophobicContact CE2-CB 3.48Å; F84-A120 VanDerWaalsContact CE2-CB 3.48Å; F84-A120 HydrophobicContact CZ-CB 3.87Å; V116-A120 WeakPolarHBondContact O-CB 3.33Å; V116-A120 PolarHBondContact O-N 2.95Å; M117-A120 PolarHBondContact O-N 3.37Å; A120-G123 PolarHBondContact O-N 3.4Å; A120-Y124 WeakPolarHBondContact O-CB 3.32Å; A120-Y124 PolarHBondContact O-N 3.25Å
121F98.8Very high98.5Very high60 Ų6052.6 Ų52.626%0.26327%0.273SS..Hα-helixtrans-57.1-52.9174169.5-105.7000111.1M117 A118 G123 Y124 V125 I139 T140 F171M117-F121 WeakPolarHBondContact O-CB 3.37Å; M117-F121 PolarHBondContact O-N 2.98Å; A118-F121 PolarHBondContact O-N 3.5Å; F121-G123 VanDerWaalsContact C-N 3.32Å; F121-G123 PolarHBondContact O-N 3.43Å; F121-Y124 WeakPolarHBondContact O-CB 3.43Å; F121-Y124 PolarHBondContact O-N 3.33Å; F121-V125 WeakPolarHBondContact O-CG2 3.12Å; F121-V125 PolarHBondContact O-N 3.09Å; F121-I139 HydrophobicContact CD2-CG2 4.33Å; F121-I139 HydrophobicContact CE2-CB 3.71Å; F121-I139 HydrophobicContact CE2-CG1 4.02Å; F121-I139 HydrophobicContact CE2-CG2 3.69Å; F121-I139 HydrophobicContact CZ-CB 3.93Å; F121-I139 HydrophobicContact CZ-CG2 3.81Å; F121-T140 HydrophobicContact CE1-CG2 4.25Å; F121-T140 HydrophobicContact CZ-CG2 4.14Å; F121-F171 AromaticContact CE1-CE2 3.88Å; F121-F171 HydrophobicContact CE1-CE2 3.88Å; F121-F171 HydrophobicContact CE1-CZ 4.23Å; F121-F171 HydrophobicContact CZ-CE2 4.46Å
122M98.6Very high98.4Very high19 Ų1948.6 Ų48.69%0.09425%0.253CS..Hα-helixtrans-64-37.6179.1-73.8178.1-82.600112.4A118 T119 Y124 V125 L126 F171 F174 H175 L178A118-M122 HydrophobicContact CB-CE 4Å; A118-M122 WeakPolarHBondContact O-CE 3.38Å; A118-M122 PolarHBondContact O-N 3.06Å; T119-M122 PolarHBondContact O-N 3.34Å; M122-Y124 VanDerWaalsContact C-N 3.3Å; M122-Y124 PolarHBondContact O-N 3.09Å; M122-V125 WeakPolarHBondContact O-CB 3.37Å; M122-V125 PolarHBondContact O-N 3.42Å; M122-V125 VanDerWaalsContact O-N 3.12Å; M122-L126 WeakPolarHBondContact O-CG 3.5Å; M122-F171 HydrophobicContact CB-CB 4.37Å; M122-F171 HydrophobicContact CB-CD2 4.34Å; M122-F171 HydrophobicContact CB-CG 4.41Å; M122-F171 HydrophobicContact CG-CB 4.33Å; M122-F171 HydrophobicContact CG-CD1 4.26Å; M122-F171 HydrophobicContact CG-CD2 3.89Å; M122-F171 HydrophobicContact CG-CE2 4.22Å; M122-F171 HydrophobicContact CG-CG 3.92Å; M122-F171 HydrophobicContact SD-CD1 4.3Å; M122-F171 HydrophobicContact SD-CG 4.42Å; M122-F174 HydrophobicContact CE-CB 4.14Å; M122-F174 HydrophobicContact SD-CB 3.45Å; M122-F174 WeakPolarHBondContact SD-CB 3.31Å; M122-F174 HydrophobicContact SD-CG 4.31Å; M122-H175 HydrophobicContact CB-CB 4.06Å; M122-L178 HydrophobicContact CE-CD1 3.21Å
123G98.6Very high98.3Very high17 Ų1750 Ų5018%0.17526%0.258CS..Hα-helixtrans-60.4-39.4175.100000112.8T119 A120 F121 V125 L126 P127 H175T119-G123 PolarHBondContact O-N 2.92Å; A120-G123 PolarHBondContact O-N 3.4Å; F121-G123 VanDerWaalsContact C-N 3.32Å; F121-G123 PolarHBondContact O-N 3.43Å; G123-V125 PolarHBondContact O-N 3.49Å; G123-L126 WeakPolarHBondContact O-CB 3.27Å; G123-L126 PolarHBondContact O-N 3.32Å; G123-P127 WeakPolarHBondContact O-CD 3.29Å; G123-H175 WeakPolarHBondContact CA-CE1 3.48Å; G123-H175 VanDerWaalsContact CA-ND1 3.28Å; G123-H175 WeakPolarHBondContact CA-ND1 3.4Å; G123-H175 PolarHBondContact N-ND1 2.8Å
124Y98.6Very high98.3Very high139 Ų13955.1 Ų55.155%0.54528%0.275SS..Hα-helixtrans-67-20.9177.3-168.9-99.5000113.3A120 F121 M122 P127 M131 S132A120-Y124 WeakPolarHBondContact O-CB 3.32Å; A120-Y124 PolarHBondContact O-N 3.25Å; F121-Y124 WeakPolarHBondContact O-CB 3.43Å; F121-Y124 PolarHBondContact O-N 3.33Å; M122-Y124 VanDerWaalsContact C-N 3.3Å; M122-Y124 PolarHBondContact O-N 3.09Å; Y124-P127 WeakPolarHBondContact O-CD 3.36Å; Y124-M131 HydrophobicContact CE1-CB 4.26Å; Y124-S132 VanDerWaalsContact O-CB 3.26Å; Y124-S132 WeakPolarHBondContact O-CB 3.36Å; Y124-S132 PolarHBondContact O-OG 3.18Å
125V98.7Very high98.2Very high1 Ų150.5 Ų50.51%0.00626%0.262CS..Hα-helixtrans-76.5-30.1175.7-177.60000111.8F121 M122 G123 W128 A136 F171F121-V125 WeakPolarHBondContact O-CG2 3.12Å; F121-V125 PolarHBondContact O-N 3.09Å; M122-V125 WeakPolarHBondContact O-CB 3.37Å; M122-V125 PolarHBondContact O-N 3.42Å; M122-V125 VanDerWaalsContact O-N 3.12Å; G123-V125 PolarHBondContact O-N 3.49Å; V125-W128 HydrophobicContact CG1-CE3 3.99Å; V125-W128 HydrophobicContact CG1-CZ3 3.75Å; V125-W128 PolarHBondContact O-N 2.96Å; V125-A136 HydrophobicContact CG1-CB 4.12Å; V125-A136 HydrophobicContact CG2-CB 3.77Å; V125-F171 HydrophobicContact CB-CD2 3.95Å; V125-F171 HydrophobicContact CG1-CD2 3.98Å; V125-F171 HydrophobicContact CG2-CD2 3.89Å; V125-F171 HydrophobicContact CG2-CE2 4.05Å
126L98.8Very high98.1Very high17 Ų1749.8 Ų49.89%0.08926%0.257CS..THydrogen-bonded Turntrans-60.5-35.8-170.4-54.2-176.7000115.5Y48 M122 G123 W128 L168 F172 H175Y48-L126 HydrophobicContact CE2-CB 4.48Å; Y48-L126 WeakPolarHBondContact CE2-O 3.41Å; Y48-L126 PolarHBondContact OH-O 2.79Å; M122-L126 WeakPolarHBondContact O-CG 3.5Å; G123-L126 WeakPolarHBondContact O-CB 3.27Å; G123-L126 PolarHBondContact O-N 3.32Å; L126-W128 PolarHBondContact O-N 3.46Å; L126-W128 VanDerWaalsContact O-N 3.08Å; L126-L168 HydrophobicContact CD2-CD1 4.13Å; L126-F172 HydrophobicContact CD1-CD2 3.96Å; L126-F172 HydrophobicContact CD2-CB 3.89Å; L126-F172 HydrophobicContact CD2-CD2 4.42Å; L126-H175 HydrophobicContact CD1-CB 4.27Å; L126-H175 VanDerWaalsContact CD1-CD2 3.47Å; L126-H175 WeakPolarHBondContact CD1-CD2 3.41Å
127P98.4Very high98.1Very high39 Ų3950.9 Ų50.925%0.25326%0.263SS..THydrogen-bonded Turntrans-62.8-15.2174.5-24.535.7000114.2F56 G123 Y124 G129F56-P127 WeakPolarHBondContact CA-O 3.35Å; F56-P127 WeakPolarHBondContact CD2-O 3.24Å; G123-P127 WeakPolarHBondContact O-CD 3.29Å; Y124-P127 WeakPolarHBondContact O-CD 3.36Å; P127-G129 PolarHBondContact O-N 2.87Å
128W98.4Very high98Very high40 Ų4051 Ų5115%0.15227%0.269CS..  trans54.135.8177.9-150.9-112.5000114.1T52 A55 V125 L126 F133 V163 L168T52-W128 HydrophobicContact CG2-CD2 4.5Å; T52-W128 HydrophobicContact CG2-CH2 4.19Å; T52-W128 HydrophobicContact CG2-CZ2 3.47Å; T52-W128 VanDerWaalsContact CG2-CZ2 3.47Å; A55-W128 HydrophobicContact CB-CB 3.87Å; A55-W128 HydrophobicContact CB-CG 4.47Å; V125-W128 HydrophobicContact CG1-CE3 3.99Å; V125-W128 HydrophobicContact CG1-CZ3 3.75Å; V125-W128 PolarHBondContact O-N 2.96Å; L126-W128 PolarHBondContact O-N 3.46Å; L126-W128 VanDerWaalsContact O-N 3.08Å; W128-F133 HydrophobicContact CH2-CD2 4.06Å; W128-F133 HydrophobicContact CH2-CE2 4.48Å; W128-F133 AromaticContact CZ2-CD2 3.78Å; W128-F133 HydrophobicContact CZ2-CD2 3.78Å; W128-F133 HydrophobicContact CZ2-CE2 4.15Å; W128-V163 HydrophobicContact CH2-CG1 3.6Å; W128-V163 HydrophobicContact CZ3-CG1 4.05Å; W128-L168 HydrophobicContact CD2-CD1 4.45Å; W128-L168 HydrophobicContact CD2-CD2 3.86Å; W128-L168 HydrophobicContact CE3-CB 4.22Å; W128-L168 HydrophobicContact CE3-CD1 3.63Å; W128-L168 HydrophobicContact CE3-CD2 3.83Å; W128-L168 HydrophobicContact CE3-CG 4.1Å; W128-L168 HydrophobicContact CG-CD2 4.2Å; W128-L168 HydrophobicContact CH2-CB 4.1Å; W128-L168 HydrophobicContact CZ3-CB 3.81Å; W128-L168 HydrophobicContact CZ3-CD1 3.91Å; W128-L168 HydrophobicContact CZ3-CD2 4.24Å; W128-L168 HydrophobicContact CZ3-CG 4.2Å
129G97.6Very high98Very high19 Ų1953.2 Ų53.220%0.19627%0.274CS..  trans-82.3176.2171.100000112.7P127 M131 S132 F133P127-G129 PolarHBondContact O-N 2.87Å; G129-M131 PolarHBondContact O-N 3.2Å; G129-S132 VanDerWaalsContact O-CB 3.31Å; G129-S132 WeakPolarHBondContact O-CB 3.44Å; G129-S132 PolarHBondContact O-N 2.89Å; G129-S132 VanDerWaalsContact O-N 3.15Å; G129-F133 PolarHBondContact O-N 3.18Å
130Q97.6Very high98Very high141 Ų14153 Ų5366%0.65927%0.273SS*.Hα-helixtrans-55.8-50.4-180-72.4-70.55.600112.6S132 F133 W134Q130-S132 VanDerWaalsContact C-N 3.3Å; Q130-S132 PolarHBondContact O-N 3.46Å; Q130-F133 PolarHBondContact O-N 2.77Å; Q130-W134 PolarHBondContact O-N 2.92Å; Q130-W134 VanDerWaalsContact OE1-NE1 3.12Å
131M96.6Very high97.9Very high137 Ų13755 Ų5568%0.67528%0.279SS*.Hα-helixtrans-66.3-34.1179.2-61.9-57.8-7900112.3Y124 G129 G135Y124-M131 HydrophobicContact CE1-CB 4.26Å; G129-M131 PolarHBondContact O-N 3.2Å; M131-G135 WeakPolarHBondContact O-CA 3.43Å; M131-G135 PolarHBondContact O-N 3.47Å
132S96.5Very high97.9Very high8 Ų857.6 Ų57.66%0.05630%0.296CS..Hα-helixtrans-61.2-50.3174.9-59.70000111.2Y124 G129 Q130 A136Y124-S132 VanDerWaalsContact O-CB 3.26Å; Y124-S132 WeakPolarHBondContact O-CB 3.36Å; Y124-S132 PolarHBondContact O-OG 3.18Å; G129-S132 VanDerWaalsContact O-CB 3.31Å; G129-S132 WeakPolarHBondContact O-CB 3.44Å; G129-S132 PolarHBondContact O-N 2.89Å; G129-S132 VanDerWaalsContact O-N 3.15Å; Q130-S132 VanDerWaalsContact C-N 3.3Å; Q130-S132 PolarHBondContact O-N 3.46Å; S132-A136 WeakPolarHBondContact O-CB 3.25Å; S132-A136 PolarHBondContact O-N 3.26Å
133F97.3Very high97.8Very high56 Ų5659.7 Ų59.725%0.24631%0.307CS..Hα-helixtrans-67.3-51.6-178178.6-91.7000112.5W128 G129 Q130 A136 T137 V163W128-F133 HydrophobicContact CH2-CD2 4.06Å; W128-F133 HydrophobicContact CH2-CE2 4.48Å; W128-F133 AromaticContact CZ2-CD2 3.78Å; W128-F133 HydrophobicContact CZ2-CD2 3.78Å; W128-F133 HydrophobicContact CZ2-CE2 4.15Å; G129-F133 PolarHBondContact O-N 3.18Å; Q130-F133 PolarHBondContact O-N 2.77Å; F133-A136 PolarHBondContact O-N 2.87Å; F133-T137 PolarHBondContact O-N 2.83Å; F133-T137 PolarHBondContact O-OG1 3.2Å; F133-V163 HydrophobicContact CD2-CG1 4.17Å; F133-V163 HydrophobicContact CE2-CB 4.24Å; F133-V163 HydrophobicContact CE2-CG1 4.16Å; F133-V163 WeakPolarHBondContact CE2-O 3.31Å
134W98.1Very high97.7Very high144 Ų14461.1 Ų61.155%0.54531%0.314SS..Hα-helixtrans-69-36.9-179-70.4115.7000111.9Q130 T137 V138Q130-W134 PolarHBondContact O-N 2.92Å; Q130-W134 VanDerWaalsContact OE1-NE1 3.12Å; W134-T137 PolarHBondContact O-N 3.33Å; W134-V138 WeakPolarHBondContact O-CG2 3.33Å; W134-V138 PolarHBondContact O-N 3.45Å
135G97Very high97.7Very high27 Ų2758.5 Ų58.528%0.27832%0.321SS..Hα-helixtrans-59.7-47.4172.200000111.8M131 T137 I139M131-G135 WeakPolarHBondContact O-CA 3.43Å; M131-G135 PolarHBondContact O-N 3.47Å; G135-T137 PolarHBondContact O-N 3.3Å; G135-I139 WeakPolarHBondContact O-CB 3.44Å; G135-I139 VanDerWaalsContact O-CG1 3.23Å; G135-I139 WeakPolarHBondContact O-CG1 3.43Å; G135-I139 PolarHBondContact O-N 2.97Å
136A97.1Very high97.7Very high1 Ų161.7 Ų61.71%0.00834%0.338CS..Hα-helixtrans-58.5-47.7175.800000111.8V125 S132 F133 T140 V163V125-A136 HydrophobicContact CG1-CB 4.12Å; V125-A136 HydrophobicContact CG2-CB 3.77Å; S132-A136 WeakPolarHBondContact O-CB 3.25Å; S132-A136 PolarHBondContact O-N 3.26Å; F133-A136 PolarHBondContact O-N 2.87Å; A136-T140 WeakPolarHBondContact O-CB 3.47Å; A136-T140 WeakPolarHBondContact O-CG2 2.94Å; A136-T140 PolarHBondContact O-N 2.82Å; A136-T140 PolarHBondContact O-OG1 3.26Å; A136-V163 HydrophobicContact CB-CG1 4.14Å; A136-V163 HydrophobicContact CB-CG2 4.28Å
137T97.7Very high97.7Very high31 Ų3165.3 Ų65.319%0.1936%0.362CS..Hα-helixtrans-59.4-52.9-179-58.50000111.4F133 W134 G135 T140 N141F133-T137 PolarHBondContact O-N 2.83Å; F133-T137 PolarHBondContact O-OG1 3.2Å; W134-T137 PolarHBondContact O-N 3.33Å; G135-T137 PolarHBondContact O-N 3.3Å; T137-T140 PolarHBondContact O-OG1 3.47Å; T137-N141 WeakPolarHBondContact O-CB 3.36Å; T137-N141 PolarHBondContact O-N 3.11Å; T137-N141 VanDerWaalsContact O-N 3.14Å
138V98.3Very high97.6Very high91 Ų9174.4 Ų74.455%0.55239%0.393SS*.Hα-helixtrans-64.9-48.4-177.1172.60000111.3W134 N141 L142W134-V138 WeakPolarHBondContact O-CG2 3.33Å; W134-V138 PolarHBondContact O-N 3.45Å; V138-N141 PolarHBondContact O-N 2.96Å; V138-L142 PolarHBondContact O-N 3.23Å
139I97.9Very high97.6Very high87 Ų8777.5 Ų77.545%0.44641%0.411SS..Hα-helixtrans-67.7-45.9-174-65-63000111.7F121 G135 N141 L142F121-I139 HydrophobicContact CD2-CG2 4.33Å; F121-I139 HydrophobicContact CE2-CB 3.71Å; F121-I139 HydrophobicContact CE2-CG1 4.02Å; F121-I139 HydrophobicContact CE2-CG2 3.69Å; F121-I139 HydrophobicContact CZ-CB 3.93Å; F121-I139 HydrophobicContact CZ-CG2 3.81Å; G135-I139 WeakPolarHBondContact O-CB 3.44Å; G135-I139 VanDerWaalsContact O-CG1 3.23Å; G135-I139 WeakPolarHBondContact O-CG1 3.43Å; G135-I139 PolarHBondContact O-N 2.97Å; I139-N141 VanDerWaalsContact C-N 3.3Å; I139-N141 PolarHBondContact O-N 3.06Å; I139-L142 HydrophobicContact CD1-CD1 4.36Å; I139-L142 WeakPolarHBondContact O-CB 3.39Å; I139-L142 PolarHBondContact O-N 3.47Å
140T97.9Very high97.6Very high8 Ų876.7 Ų76.75%0.04940%0.403CS..Hα-helixtrans-67.7-33.3179.653.50000112F121 A136 T137 L142 L143 V154 I157 W158 F171F121-T140 HydrophobicContact CE1-CG2 4.25Å; F121-T140 HydrophobicContact CZ-CG2 4.14Å; A136-T140 WeakPolarHBondContact O-CB 3.47Å; A136-T140 WeakPolarHBondContact O-CG2 2.94Å; A136-T140 PolarHBondContact O-N 2.82Å; A136-T140 PolarHBondContact O-OG1 3.26Å; T137-T140 PolarHBondContact O-OG1 3.47Å; T140-L142 PolarHBondContact O-N 3.35Å; T140-L143 WeakPolarHBondContact O-CB 3.33Å; T140-L143 PolarHBondContact O-N 3.43Å; T140-V154 WeakPolarHBondContact O-CG2 3.47Å; T140-I157 HydrophobicContact CG2-CG2 4.33Å; T140-W158 PolarHBondContact OG1-NE1 2.93Å; T140-F171 HydrophobicContact CG2-CZ 4.12Å
141N97.6Very high97.6Very high72 Ų7274.1 Ų74.139%0.38540%0.397SS..Hα-helixtrans-69.5-14.7178.5-160.850.3000113.4T137 V138 I139 L143 S144 W158T137-N141 WeakPolarHBondContact O-CB 3.36Å; T137-N141 PolarHBondContact O-N 3.11Å; T137-N141 VanDerWaalsContact O-N 3.14Å; V138-N141 PolarHBondContact O-N 2.96Å; I139-N141 VanDerWaalsContact C-N 3.3Å; I139-N141 PolarHBondContact O-N 3.06Å; N141-L143 PolarHBondContact O-N 3.16Å; N141-L143 VanDerWaalsContact O-N 3.15Å; N141-S144 VanDerWaalsContact O-CB 3.25Å; N141-S144 WeakPolarHBondContact O-CB 3.33Å; N141-S144 PolarHBondContact O-N 3.34Å; N141-S144 PolarHBondContact O-OG 2.89Å; N141-W158 HydrophobicContact CB-CH2 4.4Å; N141-W158 HydrophobicContact CB-CZ2 4.18Å
142L97.9Very high97.7Very high116 Ų11672.1 Ų72.161%0.60739%0.392SS*.G310 helixtrans-57.9-27.6172-65.1175.5000112.4V138 I139 T140 S144 A145V138-L142 PolarHBondContact O-N 3.23Å; I139-L142 HydrophobicContact CD1-CD1 4.36Å; I139-L142 WeakPolarHBondContact O-CB 3.39Å; I139-L142 PolarHBondContact O-N 3.47Å; T140-L142 PolarHBondContact O-N 3.35Å; L142-S144 PolarHBondContact O-N 3.03Å; L142-A145 WeakPolarHBondContact O-CB 3.38Å; L142-A145 PolarHBondContact O-N 3.3Å
143L97.1Very high97.8Very high63 Ų6374.4 Ų74.433%0.3340%0.404SS..G310 helixtrans-68.2-17.5176.7-63.8172.2000113T140 N141 A145 I146 G150 L153 V154 I157T140-L143 WeakPolarHBondContact O-CB 3.33Å; T140-L143 PolarHBondContact O-N 3.43Å; N141-L143 PolarHBondContact O-N 3.16Å; N141-L143 VanDerWaalsContact O-N 3.15Å; L143-A145 PolarHBondContact O-N 3.01Å; L143-A145 VanDerWaalsContact O-N 3.16Å; L143-I146 HydrophobicContact CD2-CD1 4.04Å; L143-I146 WeakPolarHBondContact O-CG1 3.4Å; L143-I146 PolarHBondContact O-N 3.37Å; L143-I146 VanDerWaalsContact O-N 3.15Å; L143-G150 WeakPolarHBondContact O-CA 3.33Å; L143-L153 HydrophobicContact CB-CD2 4.27Å; L143-L153 HydrophobicContact CD1-CD2 4.25Å; L143-L153 HydrophobicContact CD2-CD2 4.49Å; L143-V154 HydrophobicContact CB-CG2 3.8Å; L143-I157 HydrophobicContact CD1-CD1 3.31Å
144S97.3Very high97.8Very high47 Ų4771.9 Ų71.933%0.32939%0.393SS..G310 helixtrans-64.6-18.8176.382.30000112.4N141 L142 I146N141-S144 VanDerWaalsContact O-CB 3.25Å; N141-S144 WeakPolarHBondContact O-CB 3.33Å; N141-S144 PolarHBondContact O-N 3.34Å; N141-S144 PolarHBondContact O-OG 2.89Å; L142-S144 PolarHBondContact O-N 3.03Å; S144-I146 PolarHBondContact O-N 3.25Å
145A98.3Very high97.8Very high84 Ų8469.4 Ų69.469%0.69439%0.387SS*.G310 helixtrans-74.2-10177.800000113.5L142 L143 P147L142-A145 WeakPolarHBondContact O-CB 3.38Å; L142-A145 PolarHBondContact O-N 3.3Å; L143-A145 PolarHBondContact O-N 3.01Å; L143-A145 VanDerWaalsContact O-N 3.16Å; A145-P147 WeakPolarHBondContact O-CD 3.38Å
146I98.2Very high97.9Very high68 Ų6876.9 Ų76.935%0.34941%0.407SS..SBendtrans-70.6122.2176.1-60.5171.8000109L143 S144 I149 G150 L153L143-I146 HydrophobicContact CD2-CD1 4.04Å; L143-I146 WeakPolarHBondContact O-CG1 3.4Å; L143-I146 PolarHBondContact O-N 3.37Å; L143-I146 VanDerWaalsContact O-N 3.15Å; S144-I146 PolarHBondContact O-N 3.25Å; I146-I149 HydrophobicContact CB-CG1 4.48Å; I146-I149 HydrophobicContact CG2-CD1 4.03Å; I146-I149 HydrophobicContact CG2-CG1 3.6Å; I146-G150 VanDerWaalsContact O-CA 3.29Å; I146-G150 WeakPolarHBondContact O-CA 3.45Å; I146-G150 PolarHBondContact O-N 2.8Å; I146-L153 HydrophobicContact CD1-CD2 4.12Å
147P97.9Very high97.9Very high93 Ų9378.4 Ų78.460%0.60442%0.415SS*.THydrogen-bonded Turntrans-57.3142.4-178.7-25.534.6000112.7A145 I149A145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-I149 PolarHBondContact O-N 3.5Å
148Y96.9Very high98Very high230 Ų23078 Ų7890%0.90241%0.41SS*.THydrogen-bonded Turntrans67.1-43.8177-46.1-67.7000116.3
149I98.1Very high97.9Very high105 Ų10575.6 Ų75.654%0.53840%0.404SS..THydrogen-bonded Turntrans-108.1-10.4-17262.8169.3000114.3I146 P147 T151 T152 L153I146-I149 HydrophobicContact CB-CG1 4.48Å; I146-I149 HydrophobicContact CG2-CD1 4.03Å; I146-I149 HydrophobicContact CG2-CG1 3.6Å; P147-I149 PolarHBondContact O-N 3.5Å; I149-T151 PolarHBondContact O-N 2.77Å; I149-T152 PolarHBondContact O-N 3.45Å; I149-L153 WeakPolarHBondContact O-CB 3.46Å; I149-L153 PolarHBondContact O-N 3.36Å
150G98.1Very high97.9Very high1 Ų172.9 Ų72.91%0.0140%0.398CS..Hα-helixtrans-60.8-49.2-168.400000114.5L143 I146 L153 V154L143-G150 WeakPolarHBondContact O-CA 3.33Å; I146-G150 VanDerWaalsContact O-CA 3.29Å; I146-G150 WeakPolarHBondContact O-CA 3.45Å; I146-G150 PolarHBondContact O-N 2.8Å; G150-L153 WeakPolarHBondContact O-CB 3.42Å; G150-L153 PolarHBondContact O-N 3.45Å; G150-V154 WeakPolarHBondContact O-CG2 3.34Å; G150-V154 PolarHBondContact O-N 3.31Å
151T97.7Very high97.9Very high87 Ų8781.3 Ų81.353%0.53443%0.434SS..Hα-helixtrans-61.7-46.6-18048.70000111.6I149 L153 V154 E155I149-T151 PolarHBondContact O-N 2.77Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.46Å; T151-V154 PolarHBondContact O-N 3.04Å; T151-E155 PolarHBondContact O-N 2.82Å; T151-E155 VanDerWaalsContact O-N 3.08Å
152T98.4Very high97.9Very high95 Ų9581 Ų8158%0.58344%0.437SS*.Hα-helixtrans-59.9-39.6176-50.90000111.8I149 W156I149-T152 PolarHBondContact O-N 3.45Å; T152-W156 VanDerWaalsContact O-CB 3.25Å; T152-W156 WeakPolarHBondContact O-CB 3.28Å; T152-W156 PolarHBondContact O-N 2.83Å
153L98.2Very high97.9Very high57 Ų5775.6 Ų75.630%0.29841%0.409SS..Hα-helixtrans-64.9-42.7178.1-178.863.3000112L143 I146 I149 G150 T151 W156 I157L143-L153 HydrophobicContact CB-CD2 4.27Å; L143-L153 HydrophobicContact CD1-CD2 4.25Å; L143-L153 HydrophobicContact CD2-CD2 4.49Å; I146-L153 HydrophobicContact CD1-CD2 4.12Å; I149-L153 WeakPolarHBondContact O-CB 3.46Å; I149-L153 PolarHBondContact O-N 3.36Å; G150-L153 WeakPolarHBondContact O-CB 3.42Å; G150-L153 PolarHBondContact O-N 3.45Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.46Å; L153-W156 HydrophobicContact CD1-CE3 4.3Å; L153-W156 PolarHBondContact O-N 2.81Å; L153-I157 HydrophobicContact CD1-CD1 4.41Å; L153-I157 HydrophobicContact CG-CD1 4.21Å; L153-I157 WeakPolarHBondContact O-CG1 3.36Å; L153-I157 PolarHBondContact O-N 3.19Å
154V98.5Very high97.9Very high3 Ų376.6 Ų76.62%0.01842%0.415CS..Hα-helixtrans-63.6-50.5178.1172.40000111.1T140 L143 G150 T151 W156 I157 W158T140-V154 WeakPolarHBondContact O-CG2 3.47Å; L143-V154 HydrophobicContact CB-CG2 3.8Å; G150-V154 WeakPolarHBondContact O-CG2 3.34Å; G150-V154 PolarHBondContact O-N 3.31Å; T151-V154 PolarHBondContact O-N 3.04Å; V154-W156 PolarHBondContact O-N 3.46Å; V154-I157 PolarHBondContact O-N 3.08Å; V154-I157 VanDerWaalsContact O-N 3.13Å; V154-W158 HydrophobicContact CG1-CD2 3.69Å; V154-W158 VanDerWaalsContact CG1-CE2 3.44Å; V154-W158 HydrophobicContact CG1-CE3 3.73Å; V154-W158 HydrophobicContact CG1-CH2 3.39Å; V154-W158 HydrophobicContact CG1-CZ2 3.31Å; V154-W158 HydrophobicContact CG1-CZ3 3.59Å; V154-W158 PolarHBondContact O-N 2.97Å
155E98.3Very high98Very high92 Ų9279.3 Ų79.343%0.4342%0.421SS..Hα-helixtrans-62-34.3177.8-69.518017900111.9T151 W158 G159 G160T151-E155 PolarHBondContact O-N 2.82Å; T151-E155 VanDerWaalsContact O-N 3.08Å; E155-W158 PolarHBondContact O-N 3.42Å; E155-G159 WeakPolarHBondContact O-CA 3.38Å; E155-G159 PolarHBondContact O-N 3.2Å; E155-G160 PolarHBondContact O-N 3.4Å
156W98.4Very high97.9Very high183 Ų18377.4 Ų77.469%0.69341%0.405SS*.Hα-helixtrans-65.4-44.9173.5-179.481.2000112.1T152 L153 V154 W158 G159 R170T152-W156 VanDerWaalsContact O-CB 3.25Å; T152-W156 WeakPolarHBondContact O-CB 3.28Å; T152-W156 PolarHBondContact O-N 2.83Å; L153-W156 HydrophobicContact CD1-CE3 4.3Å; L153-W156 PolarHBondContact O-N 2.81Å; V154-W156 PolarHBondContact O-N 3.46Å; W156-W158 VanDerWaalsContact C-N 3.33Å; W156-W158 PolarHBondContact O-N 3.2Å; W156-G159 PolarHBondContact O-N 3.29Å; W156-R170 PolarHBondContact O-NH1 3.38Å
157I97.6Very high98Very high34 Ų3474.2 Ų74.217%0.17439%0.388CS..Hα-helixtrans-61.5-42.3176-71.5168.4000110.7T140 L143 L153 V154 R170 F171T140-I157 HydrophobicContact CG2-CG2 4.33Å; L143-I157 HydrophobicContact CD1-CD1 3.31Å; L153-I157 HydrophobicContact CD1-CD1 4.41Å; L153-I157 HydrophobicContact CG-CD1 4.21Å; L153-I157 WeakPolarHBondContact O-CG1 3.36Å; L153-I157 PolarHBondContact O-N 3.19Å; V154-I157 PolarHBondContact O-N 3.08Å; V154-I157 VanDerWaalsContact O-N 3.13Å; I157-R170 WeakPolarHBondContact O-CD 3.27Å; I157-R170 PolarHBondContact O-NH1 2.87Å; I157-F171 HydrophobicContact CG2-CE1 4.22Å; I157-F171 HydrophobicContact CG2-CZ 4.4Å
158W98.4Very high98Very high21 Ų2169.8 Ų69.88%0.0836%0.36CS..Hα-helixtrans-70.8-33.5176.7-64.7-15.6000112.5T140 N141 V154 E155 W156 G160 F161 S162 V163 T167T140-W158 PolarHBondContact OG1-NE1 2.93Å; N141-W158 HydrophobicContact CB-CH2 4.4Å; N141-W158 HydrophobicContact CB-CZ2 4.18Å; V154-W158 HydrophobicContact CG1-CD2 3.69Å; V154-W158 VanDerWaalsContact CG1-CE2 3.44Å; V154-W158 HydrophobicContact CG1-CE3 3.73Å; V154-W158 HydrophobicContact CG1-CH2 3.39Å; V154-W158 HydrophobicContact CG1-CZ2 3.31Å; V154-W158 HydrophobicContact CG1-CZ3 3.59Å; V154-W158 PolarHBondContact O-N 2.97Å; E155-W158 PolarHBondContact O-N 3.42Å; W156-W158 VanDerWaalsContact C-N 3.33Å; W156-W158 PolarHBondContact O-N 3.2Å; W158-G160 VanDerWaalsContact C-N 3.32Å; W158-F161 WeakPolarHBondContact CZ3-O 3.31Å; W158-S162 VanDerWaalsContact CE3-CA 3.42Å; W158-V163 HydrophobicContact CD2-CG2 4.38Å; W158-V163 HydrophobicContact CG-CG2 4.31Å; W158-V163 HydrophobicContact CZ2-CG2 4.34Å; W158-T167 WeakPolarHBondContact CA-OG1 3.29Å; W158-T167 PolarHBondContact O-N 2.89Å; W158-T167 PolarHBondContact O-OG1 3.42Å
159G97.8Very high98.1Very high41 Ų4161.7 Ų61.742%0.42334%0.335SS..THydrogen-bonded Turntrans70.132.4-168.900000112.6E155 W156 R170E155-G159 WeakPolarHBondContact O-CA 3.38Å; E155-G159 PolarHBondContact O-N 3.2Å; W156-G159 PolarHBondContact O-N 3.29Å; G159-R170 VanDerWaalsContact CA-NH2 3.27Å
160G96.8Very high98.1Very high31 Ų3160.3 Ų60.332%0.3232%0.322SS..SBendtrans169.7-170.2-174.800000110.8E155 W158 S162E155-G160 PolarHBondContact O-N 3.4Å; W158-G160 VanDerWaalsContact C-N 3.32Å; G160-S162 VanDerWaalsContact C-N 3.35Å
161F97.8Very high98.1Very high184 Ų18460.7 Ų60.781%0.80732%0.324SS*.SBendtrans-84.2-7.5-176-55.2-69000114.4W158W158-F161 WeakPolarHBondContact CZ3-O 3.31Å
162S97.4Very high98.2Very high65 Ų6558.8 Ų58.846%0.45531%0.308SS..SBendtrans-156.8169.2178.663.20000110.5W158 G160 D164W158-S162 VanDerWaalsContact CE3-CA 3.42Å; G160-S162 VanDerWaalsContact C-N 3.35Å; S162-D164 PolarHBondContact O-N 3.24Å
163V98.3Very high98.2Very high3 Ų357 Ų572%0.01830%0.303CS..SBendtrans-62.6115.7169.4173.50000109.2W128 F133 A136 W158 T167W128-V163 HydrophobicContact CH2-CG1 3.6Å; W128-V163 HydrophobicContact CZ3-CG1 4.05Å; F133-V163 HydrophobicContact CD2-CG1 4.17Å; F133-V163 HydrophobicContact CE2-CB 4.24Å; F133-V163 HydrophobicContact CE2-CG1 4.16Å; F133-V163 WeakPolarHBondContact CE2-O 3.31Å; A136-V163 HydrophobicContact CB-CG1 4.14Å; A136-V163 HydrophobicContact CB-CG2 4.28Å; W158-V163 HydrophobicContact CD2-CG2 4.38Å; W158-V163 HydrophobicContact CG-CG2 4.31Å; W158-V163 HydrophobicContact CZ2-CG2 4.34Å; V163-T167 HydrophobicContact CG1-CG2 4.18Å; V163-T167 HydrophobicContact CG2-CG2 4.49Å
164D98.1Very high98.2Very high85 Ų8559.4 Ų59.446%0.45531%0.311SS..SBendtrans-152.7-159.6-178.6-164.94.9000110.7S162 A166 T167 L168S162-D164 PolarHBondContact O-N 3.24Å; D164-A166 VanDerWaalsContact C-N 3.34Å; D164-A166 PolarHBondContact O-N 3.44Å; D164-T167 PolarHBondContact N-OG1 2.7Å; D164-T167 WeakPolarHBondContact O-CA 3.45Å; D164-T167 VanDerWaalsContact O-CB 3.26Å; D164-T167 WeakPolarHBondContact O-CB 3.47Å; D164-T167 PolarHBondContact O-N 2.78Å; D164-L168 PolarHBondContact O-N 3.34Å
165K98Very high98.2Very high104 Ų10460.6 Ų60.645%0.45232%0.316SS..Hα-helixtrans-48.2-48-178.1-179.6169.3174.7160.80114.2D51 T52 T167 L168 T169D51-K165 WeakPolarHBondContact OD2-CE 3.29Å; D51-K165 IonicContact OD2-NZ 3.29Å; D51-K165 PolarHBondContact OD2-NZ 3.33Å; T52-K165 HydrophobicContact CG2-CB 4.02Å; K165-T167 VanDerWaalsContact C-N 3.26Å; K165-T167 PolarHBondContact O-N 2.92Å; K165-L168 PolarHBondContact O-N 3.41Å; K165-T169 PolarHBondContact O-N 2.91Å; K165-T169 PolarHBondContact O-OG1 3.3Å; K165-T169 VanDerWaalsContact O-OG1 3.1Å
166A98.2Very high98.3Very high44 Ų4460 Ų6036%0.36431%0.313SS..Hα-helixtrans-61-36.3179.100000112.3D164 R170D164-A166 VanDerWaalsContact C-N 3.34Å; D164-A166 PolarHBondContact O-N 3.44Å; A166-R170 VanDerWaalsContact O-CG 3.3Å; A166-R170 WeakPolarHBondContact O-CG 3.48Å; A166-R170 PolarHBondContact O-N 3.49Å; A166-R170 PolarHBondContact O-NE 3.29Å
167T98.4Very high98.3Very high0 Ų055.2 Ų55.20%030%0.3CS..Hα-helixtrans-68.1-46175.4-420000111.4W158 V163 D164 K165 R170 F171W158-T167 WeakPolarHBondContact CA-OG1 3.29Å; W158-T167 PolarHBondContact O-N 2.89Å; W158-T167 PolarHBondContact O-OG1 3.42Å; V163-T167 HydrophobicContact CG1-CG2 4.18Å; V163-T167 HydrophobicContact CG2-CG2 4.49Å; D164-T167 PolarHBondContact N-OG1 2.7Å; D164-T167 WeakPolarHBondContact O-CA 3.45Å; D164-T167 VanDerWaalsContact O-CB 3.26Å; D164-T167 WeakPolarHBondContact O-CB 3.47Å; D164-T167 PolarHBondContact O-N 2.78Å; K165-T167 VanDerWaalsContact C-N 3.26Å; K165-T167 PolarHBondContact O-N 2.92Å; T167-R170 VanDerWaalsContact O-CG 3.24Å; T167-R170 WeakPolarHBondContact O-CG 3.47Å; T167-F171 HydrophobicContact CG2-CD1 4.16Å; T167-F171 HydrophobicContact CG2-CD2 4.4Å; T167-F171 HydrophobicContact CG2-CE1 3.89Å; T167-F171 HydrophobicContact CG2-CE2 4.17Å; T167-F171 HydrophobicContact CG2-CG 4.4Å; T167-F171 HydrophobicContact CG2-CZ 3.9Å; T167-F171 VanDerWaalsContact O-CB 3.29Å; T167-F171 WeakPolarHBondContact O-CB 3.47Å; T167-F171 WeakPolarHBondContact O-CD1 3.45Å; T167-F171 WeakPolarHBondContact O-CG 3.45Å; T167-F171 PolarHBondContact O-N 3.49Å
168L98.6Very high98.3Very high0 Ų055 Ų550%030%0.299CS..Hα-helixtrans-64.4-46.1-178.5-177.856.6000112.2T52 A55 L126 W128 D164 K165 R170 F171 F172T52-L168 HydrophobicContact CG2-CB 4.41Å; T52-L168 HydrophobicContact CG2-CD2 3.94Å; A55-L168 HydrophobicContact CB-CD2 3.67Å; L126-L168 HydrophobicContact CD2-CD1 4.13Å; W128-L168 HydrophobicContact CD2-CD1 4.45Å; W128-L168 HydrophobicContact CD2-CD2 3.86Å; W128-L168 HydrophobicContact CE3-CB 4.22Å; W128-L168 HydrophobicContact CE3-CD1 3.63Å; W128-L168 HydrophobicContact CE3-CD2 3.83Å; W128-L168 HydrophobicContact CE3-CG 4.1Å; W128-L168 HydrophobicContact CG-CD2 4.2Å; W128-L168 HydrophobicContact CH2-CB 4.1Å; W128-L168 HydrophobicContact CZ3-CB 3.81Å; W128-L168 HydrophobicContact CZ3-CD1 3.91Å; W128-L168 HydrophobicContact CZ3-CD2 4.24Å; W128-L168 HydrophobicContact CZ3-CG 4.2Å; D164-L168 PolarHBondContact O-N 3.34Å; K165-L168 PolarHBondContact O-N 3.41Å; L168-R170 PolarHBondContact O-N 2.94Å; L168-F171 PolarHBondContact O-N 3.21Å; L168-F172 PolarHBondContact O-N 3.46Å
169T98.6Very high98.3Very high61 Ų6154.9 Ų54.937%0.37430%0.301SS..Hα-helixtrans-61.7-43.9179.9-53.40000111.7S50 K165 A173S50-T169 PolarHBondContact O-OG1 3.33Å; K165-T169 PolarHBondContact O-N 2.91Å; K165-T169 PolarHBondContact O-OG1 3.3Å; K165-T169 VanDerWaalsContact O-OG1 3.1Å; T169-A173 PolarHBondContact O-N 3.49Å
170R98.3Very high98.4Very high75 Ų7557.4 Ų57.428%0.28330%0.3SS..Hα-helixtrans-72.6-35.8178.872.9-175.264.3-166-11.3112.5W156 I157 G159 A166 T167 L168 F172 A173 F174W156-R170 PolarHBondContact O-NH1 3.38Å; I157-R170 WeakPolarHBondContact O-CD 3.27Å; I157-R170 PolarHBondContact O-NH1 2.87Å; G159-R170 VanDerWaalsContact CA-NH2 3.27Å; A166-R170 VanDerWaalsContact O-CG 3.3Å; A166-R170 WeakPolarHBondContact O-CG 3.48Å; A166-R170 PolarHBondContact O-N 3.49Å; A166-R170 PolarHBondContact O-NE 3.29Å; T167-R170 VanDerWaalsContact O-CG 3.24Å; T167-R170 WeakPolarHBondContact O-CG 3.47Å; L168-R170 PolarHBondContact O-N 2.94Å; R170-F172 VanDerWaalsContact C-N 3.28Å; R170-F172 PolarHBondContact O-N 2.89Å; R170-A173 PolarHBondContact O-N 3.48Å; R170-A173 VanDerWaalsContact O-N 3.15Å; R170-F174 HydrophobicContact CB-CD2 4.38Å; R170-F174 HydrophobicContact CB-CE2 4.33Å; R170-F174 WeakPolarHBondContact O-CD2 3.26Å; R170-F174 PolarHBondContact O-N 2.83Å
171F98.7Very high98.5Very high10 Ų1059.7 Ų59.74%0.04431%0.305CS..Hα-helixtrans-64.6-36.8176.9-84.620.8000110.7F121 M122 V125 T140 I157 T167 L168 H175F121-F171 AromaticContact CE1-CE2 3.88Å; F121-F171 HydrophobicContact CE1-CE2 3.88Å; F121-F171 HydrophobicContact CE1-CZ 4.23Å; F121-F171 HydrophobicContact CZ-CE2 4.46Å; M122-F171 HydrophobicContact CB-CB 4.37Å; M122-F171 HydrophobicContact CB-CD2 4.34Å; M122-F171 HydrophobicContact CB-CG 4.41Å; M122-F171 HydrophobicContact CG-CB 4.33Å; M122-F171 HydrophobicContact CG-CD1 4.26Å; M122-F171 HydrophobicContact CG-CD2 3.89Å; M122-F171 HydrophobicContact CG-CE2 4.22Å; M122-F171 HydrophobicContact CG-CG 3.92Å; M122-F171 HydrophobicContact SD-CD1 4.3Å; M122-F171 HydrophobicContact SD-CG 4.42Å; V125-F171 HydrophobicContact CB-CD2 3.95Å; V125-F171 HydrophobicContact CG1-CD2 3.98Å; V125-F171 HydrophobicContact CG2-CD2 3.89Å; V125-F171 HydrophobicContact CG2-CE2 4.05Å; T140-F171 HydrophobicContact CG2-CZ 4.12Å; I157-F171 HydrophobicContact CG2-CE1 4.22Å; I157-F171 HydrophobicContact CG2-CZ 4.4Å; T167-F171 HydrophobicContact CG2-CD1 4.16Å; T167-F171 HydrophobicContact CG2-CD2 4.4Å; T167-F171 HydrophobicContact CG2-CE1 3.89Å; T167-F171 HydrophobicContact CG2-CE2 4.17Å; T167-F171 HydrophobicContact CG2-CG 4.4Å; T167-F171 HydrophobicContact CG2-CZ 3.9Å; T167-F171 VanDerWaalsContact O-CB 3.29Å; T167-F171 WeakPolarHBondContact O-CB 3.47Å; T167-F171 WeakPolarHBondContact O-CD1 3.45Å; T167-F171 WeakPolarHBondContact O-CG 3.45Å; T167-F171 PolarHBondContact O-N 3.49Å; L168-F171 PolarHBondContact O-N 3.21Å; F171-H175 WeakPolarHBondContact O-CB 3.48Å; F171-H175 PolarHBondContact O-N 3.44Å
172F98.8Very high98.5Very high46 Ų4651.2 Ų51.220%0.20227%0.268CS..Hα-helixtrans-59.8-48170.2177.3-110.9000111.8A45 Y48 L126 L168 R170 F174 H175 F176A45-F172 HydrophobicContact CB-CE2 4.29Å; A45-F172 HydrophobicContact CB-CZ 4.07Å; Y48-F172 AromaticContact CD1-CD2 3.69Å; Y48-F172 HydrophobicContact CD1-CD2 3.69Å; Y48-F172 AromaticContact CD1-CE2 3.58Å; Y48-F172 HydrophobicContact CD1-CE2 3.58Å; Y48-F172 HydrophobicContact CD1-CG 4.37Å; Y48-F172 HydrophobicContact CD1-CZ 4.17Å; Y48-F172 HydrophobicContact CE1-CB 4.4Å; Y48-F172 AromaticContact CE1-CD2 3.57Å; Y48-F172 HydrophobicContact CE1-CD2 3.57Å; Y48-F172 AromaticContact CE1-CE2 3.98Å; Y48-F172 HydrophobicContact CE1-CE2 3.98Å; Y48-F172 AromaticContact CE1-CG 4Å; Y48-F172 HydrophobicContact CE1-CG 4Å; L126-F172 HydrophobicContact CD1-CD2 3.96Å; L126-F172 HydrophobicContact CD2-CB 3.89Å; L126-F172 HydrophobicContact CD2-CD2 4.42Å; L168-F172 PolarHBondContact O-N 3.46Å; R170-F172 VanDerWaalsContact C-N 3.28Å; R170-F172 PolarHBondContact O-N 2.89Å; F172-F174 PolarHBondContact O-N 2.91Å; F172-H175 PolarHBondContact O-N 3.45Å; F172-F176 HydrophobicContact CZ-CD2 4.43Å; F172-F176 WeakPolarHBondContact O-CB 3.39Å; F172-F176 PolarHBondContact O-N 2.99Å
173A98.8Very high98.6Very high57 Ų5749.6 Ų49.647%0.47126%0.258SS..Hα-helixtrans-61.1-45.7178.800000112.7T169 R170 F176 I177T169-A173 PolarHBondContact O-N 3.49Å; R170-A173 PolarHBondContact O-N 3.48Å; R170-A173 VanDerWaalsContact O-N 3.15Å; A173-F176 PolarHBondContact O-N 2.98Å; A173-I177 WeakPolarHBondContact O-CG2 3.49Å; A173-I177 PolarHBondContact O-N 3.22Å; A173-I177 VanDerWaalsContact O-N 3.11Å
174F98.8Very high98.6Very high109 Ų10952 Ų5248%0.47828%0.278SS..Hα-helixtrans-66.1-43.3176.6-76.2-59.7000112.5M122 R170 F172 F176 I177 L178M122-F174 HydrophobicContact CE-CB 4.14Å; M122-F174 HydrophobicContact SD-CB 3.45Å; M122-F174 WeakPolarHBondContact SD-CB 3.31Å; M122-F174 HydrophobicContact SD-CG 4.31Å; R170-F174 HydrophobicContact CB-CD2 4.38Å; R170-F174 HydrophobicContact CB-CE2 4.33Å; R170-F174 WeakPolarHBondContact O-CD2 3.26Å; R170-F174 PolarHBondContact O-N 2.83Å; F172-F174 PolarHBondContact O-N 2.91Å; F174-F176 PolarHBondContact O-N 3.29Å; F174-I177 WeakPolarHBondContact O-CG2 3.11Å; F174-I177 PolarHBondContact O-N 3.05Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 WeakPolarHBondContact O-CD1 3.09Å; F174-L178 VanDerWaalsContact O-CG 3.28Å; F174-L178 WeakPolarHBondContact O-CG 3.32Å; F174-L178 PolarHBondContact O-N 3.37Å
175H98.9Very high98.6Very high27 Ų2750 Ų5013%0.12527%0.267CS..Hα-helixtrans-60.8-35175.4-179.470.7000111.9T119 M122 G123 L126 F171 F172 P179T119-H175 PolarHBondContact O-CE1 3.5Å; T119-H175 PolarHBondContact O-ND1 3.4Å; M122-H175 HydrophobicContact CB-CB 4.06Å; G123-H175 WeakPolarHBondContact CA-CE1 3.48Å; G123-H175 VanDerWaalsContact CA-ND1 3.28Å; G123-H175 WeakPolarHBondContact CA-ND1 3.4Å; G123-H175 PolarHBondContact N-ND1 2.8Å; L126-H175 HydrophobicContact CD1-CB 4.27Å; L126-H175 VanDerWaalsContact CD1-CD2 3.47Å; L126-H175 WeakPolarHBondContact CD1-CD2 3.41Å; F171-H175 WeakPolarHBondContact O-CB 3.48Å; F171-H175 PolarHBondContact O-N 3.44Å; F172-H175 PolarHBondContact O-N 3.45Å; H175-P179 WeakPolarHBondContact O-CD 3.28Å; H175-P179 WeakPolarHBondContact O-CG 3.48Å
176F98.8Very high98.7Very high80 Ų8046.3 Ų46.335%0.35126%0.257SS..Hα-helixtrans-71.4-42.7178-167.4-83.8000112.6L42 A45 F172 A173 F174 F180L42-F176 HydrophobicContact CD1-CE2 4.24Å; L42-F176 HydrophobicContact CD1-CZ 4.04Å; A45-F176 HydrophobicContact CB-CD2 4.27Å; A45-F176 HydrophobicContact CB-CE2 3.98Å; F172-F176 HydrophobicContact CZ-CD2 4.43Å; F172-F176 WeakPolarHBondContact O-CB 3.39Å; F172-F176 PolarHBondContact O-N 2.99Å; A173-F176 PolarHBondContact O-N 2.98Å; F174-F176 PolarHBondContact O-N 3.29Å; F176-F180 HydrophobicContact CD1-CE2 4.09Å; F176-F180 AromaticContact CE1-CE2 3.85Å; F176-F180 HydrophobicContact CE1-CE2 3.85Å; F176-F180 HydrophobicContact CE1-CZ 4.45Å; F176-F180 VanDerWaalsContact O-CD2 3.29Å; F176-F180 WeakPolarHBondContact O-CD2 3.22Å; F176-F180 VanDerWaalsContact O-CE2 3.24Å; F176-F180 WeakPolarHBondContact O-CE2 3.43Å
177I98.8Very high98.7Very high83 Ų8349.9 Ų49.943%0.42627%0.268SS..Hα-helixtrans-79.2-34.5-175.4-16960000113.5A173 F174 F180 I181A173-I177 WeakPolarHBondContact O-CG2 3.49Å; A173-I177 PolarHBondContact O-N 3.22Å; A173-I177 VanDerWaalsContact O-N 3.11Å; F174-I177 WeakPolarHBondContact O-CG2 3.11Å; F174-I177 PolarHBondContact O-N 3.05Å; I177-F180 HydrophobicContact CD1-CD2 4.5Å; I177-F180 PolarHBondContact O-N 2.9Å; I177-F180 VanDerWaalsContact O-N 3.11Å; I177-I181 HydrophobicContact CG1-CD1 4.3Å; I177-I181 PolarHBondContact O-N 3.26Å
178L98.7Very high98.7Very high29 Ų2952.5 Ų52.515%0.15228%0.284CS..Hα-helixtrans-60.4-38.5-173.7-80.1167.6000115.2A118 T119 M122 F174 F180 I181 I182A118-L178 HydrophobicContact CB-CD1 4.44Å; T119-L178 HydrophobicContact CG2-CB 4.42Å; T119-L178 VanDerWaalsContact OG1-CB 3.22Å; T119-L178 WeakPolarHBondContact OG1-CB 3.46Å; M122-L178 HydrophobicContact CE-CD1 3.21Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 WeakPolarHBondContact O-CD1 3.09Å; F174-L178 VanDerWaalsContact O-CG 3.28Å; F174-L178 WeakPolarHBondContact O-CG 3.32Å; F174-L178 PolarHBondContact O-N 3.37Å; L178-F180 PolarHBondContact O-N 3.34Å; L178-I181 HydrophobicContact CD2-CD1 4.18Å; L178-I181 CarbonylContact O-C 3.59Å; L178-I181 WeakPolarHBondContact O-CA 3.22Å; L178-I181 WeakPolarHBondContact O-CB 3.32Å; L178-I181 PolarHBondContact O-N 3.11Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 2.7Å
179P98.8Very high98.7Very high18 Ų1853.9 Ų53.912%0.11729%0.29CS..Hα-helixtrans-53.8-34.9173.4-29.134.8000113.9I38 T119 H175 I182 A183I38-P179 HydrophobicContact CD1-CB 4.25Å; I38-P179 HydrophobicContact CG1-CB 3.73Å; T119-P179 HydrophobicContact CG2-CG 3.9Å; H175-P179 WeakPolarHBondContact O-CD 3.28Å; H175-P179 WeakPolarHBondContact O-CG 3.48Å; P179-I182 PolarHBondContact O-N 2.98Å; P179-A183 PolarHBondContact O-N 2.93Å
180F98.7Very high98.7Very high94 Ų9454.5 Ų54.541%0.41229%0.291SS..Hα-helixtrans-74.9-34.6176.8-57.6-76.1000112.2I38 F176 I177 L178 I182 A183 A184I38-F180 HydrophobicContact CG2-CE1 4.07Å; I38-F180 HydrophobicContact CG2-CZ 4.27Å; F176-F180 HydrophobicContact CD1-CE2 4.09Å; F176-F180 AromaticContact CE1-CE2 3.85Å; F176-F180 HydrophobicContact CE1-CE2 3.85Å; F176-F180 HydrophobicContact CE1-CZ 4.45Å; F176-F180 VanDerWaalsContact O-CD2 3.29Å; F176-F180 WeakPolarHBondContact O-CD2 3.22Å; F176-F180 VanDerWaalsContact O-CE2 3.24Å; F176-F180 WeakPolarHBondContact O-CE2 3.43Å; I177-F180 HydrophobicContact CD1-CD2 4.5Å; I177-F180 PolarHBondContact O-N 2.9Å; I177-F180 VanDerWaalsContact O-N 3.11Å; L178-F180 PolarHBondContact O-N 3.34Å; F180-I182 VanDerWaalsContact C-N 3.35Å; F180-A183 PolarHBondContact O-N 2.96Å; F180-A184 PolarHBondContact O-N 2.77Å
181I98.8Very high98.7Very high80 Ų8055.5 Ų55.541%0.4130%0.301SS..Hα-helixtrans-65.3-41.4171.2-63.2171.2000110.1I177 L178 A183 A184 L185I177-I181 HydrophobicContact CG1-CD1 4.3Å; I177-I181 PolarHBondContact O-N 3.26Å; L178-I181 HydrophobicContact CD2-CD1 4.18Å; L178-I181 CarbonylContact O-C 3.59Å; L178-I181 WeakPolarHBondContact O-CA 3.22Å; L178-I181 WeakPolarHBondContact O-CB 3.32Å; L178-I181 PolarHBondContact O-N 3.11Å; I181-A183 VanDerWaalsContact C-N 3.33Å; I181-A183 PolarHBondContact O-N 2.95Å; I181-A184 PolarHBondContact O-N 3.46Å; I181-L185 HydrophobicContact CG2-CD1 4.21Å; I181-L185 HydrophobicContact CG2-CG 4.49Å; I181-L185 WeakPolarHBondContact O-CG 3.31Å; I181-L185 PolarHBondContact O-N 3.36Å
182I98.9Very high98.7Very high6 Ų658.5 Ų58.53%0.03132%0.315CS..Hα-helixtrans-60.3-42.8174.1-68.4162.7000110.5L34 L112 A115 V116 T119 L178 P179 F180 A184 L185 A186L34-I182 HydrophobicContact CD1-CB 4.36Å; L34-I182 HydrophobicContact CD1-CG2 3.87Å; L34-I182 HydrophobicContact CD2-CG2 3.98Å; L112-I182 HydrophobicContact CD2-CG2 3.84Å; A115-I182 HydrophobicContact CB-CD1 4.17Å; A115-I182 HydrophobicContact CB-CG1 3.66Å; V116-I182 HydrophobicContact CG2-CD1 3.86Å; V116-I182 HydrophobicContact CG2-CG1 4.43Å; V116-I182 HydrophobicContact CG2-CG2 4.21Å; T119-I182 WeakPolarHBondContact OG1-CD1 3.49Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 2.7Å; P179-I182 PolarHBondContact O-N 2.98Å; F180-I182 VanDerWaalsContact C-N 3.35Å; I182-A184 PolarHBondContact O-N 3.11Å; I182-L185 PolarHBondContact O-N 3.23Å; I182-A186 WeakPolarHBondContact O-CB 3.37Å; I182-A186 PolarHBondContact O-N 3.34Å
183A98.8Very high98.6Very high30 Ų3058.1 Ų58.125%0.24831%0.314CS..Hα-helixtrans-60.7-43175.700000112.2L34 P179 F180 I181 A186 I187L34-A183 HydrophobicContact CD2-CB 4.03Å; P179-A183 PolarHBondContact O-N 2.93Å; F180-A183 PolarHBondContact O-N 2.96Å; I181-A183 VanDerWaalsContact C-N 3.33Å; I181-A183 PolarHBondContact O-N 2.95Å; A183-A186 PolarHBondContact O-N 3.12Å; A183-I187 WeakPolarHBondContact O-CG1 3.24Å; A183-I187 PolarHBondContact O-N 3.44Å; A183-I187 VanDerWaalsContact O-N 3.13Å
184A98.8Very high98.5Very high55 Ų5558.7 Ų58.746%0.45531%0.307SS..Hα-helixtrans-63.8-44.3175.200000112.1F180 I181 I182 A186 I187 V188F180-A184 PolarHBondContact O-N 2.77Å; I181-A184 PolarHBondContact O-N 3.46Å; I182-A184 PolarHBondContact O-N 3.11Å; A184-A186 VanDerWaalsContact C-N 3.31Å; A184-A186 PolarHBondContact O-N 2.96Å; A184-I187 WeakPolarHBondContact O-CB 3.15Å; A184-I187 PolarHBondContact O-N 3.02Å; A184-V188 PolarHBondContact O-N 3.15Å; A184-V188 VanDerWaalsContact O-N 3.16Å
185L98.7Very high98.4Very high41 Ų4160.6 Ų60.622%0.21532%0.318CS..Hα-helixtrans-63.3-35.5175.3-73174000112.2L112 I181 I182 I187 V188 H189L112-L185 HydrophobicContact CD2-CB 3.56Å; L112-L185 HydrophobicContact CG-CB 4.05Å; I181-L185 HydrophobicContact CG2-CD1 4.21Å; I181-L185 HydrophobicContact CG2-CG 4.49Å; I181-L185 WeakPolarHBondContact O-CG 3.31Å; I181-L185 PolarHBondContact O-N 3.36Å; I182-L185 PolarHBondContact O-N 3.23Å; L185-I187 VanDerWaalsContact C-N 3.33Å; L185-V188 PolarHBondContact O-N 3.05Å; L185-H189 WeakPolarHBondContact O-CB 3.45Å; L185-H189 PolarHBondContact O-N 2.9Å
186A98.8Very high98.2Very high28 Ų2863 Ų6323%0.23133%0.334CS..Hα-helixtrans-66.1-35.8176.200000111.9L112 I182 A183 A184 H189 L190L112-A186 HydrophobicContact CD2-CB 4.44Å; I182-A186 WeakPolarHBondContact O-CB 3.37Å; I182-A186 PolarHBondContact O-N 3.34Å; A183-A186 PolarHBondContact O-N 3.12Å; A184-A186 VanDerWaalsContact C-N 3.31Å; A184-A186 PolarHBondContact O-N 2.96Å; A186-H189 WeakPolarHBondContact O-CB 3.29Å; A186-H189 PolarHBondContact O-N 3.39Å; A186-L190 WeakPolarHBondContact O-CG 3.36Å; A186-L190 PolarHBondContact O-N 3.49Å
187I98.4Very high98.1Very high118 Ų11859.7 Ų59.761%0.60532%0.323SS*.Hα-helixtrans-63.5-45.2172.1-66.3166.4000110.3A183 A184 L185 H189 L190 L191A183-I187 WeakPolarHBondContact O-CG1 3.24Å; A183-I187 PolarHBondContact O-N 3.44Å; A183-I187 VanDerWaalsContact O-N 3.13Å; A184-I187 WeakPolarHBondContact O-CB 3.15Å; A184-I187 PolarHBondContact O-N 3.02Å; L185-I187 VanDerWaalsContact C-N 3.33Å; I187-H189 VanDerWaalsContact C-N 3.32Å; I187-H189 PolarHBondContact O-N 2.82Å; I187-L190 PolarHBondContact O-N 3.35Å; I187-L191 WeakPolarHBondContact O-CB 3.3Å; I187-L191 PolarHBondContact O-N 2.94Å
188V98.6Very high98Very high56 Ų5657.5 Ų57.534%0.33932%0.315SS..Hα-helixtrans-63.6-39.3176.4176.90000111.4I108 A184 L185 L191 F192I108-V188 HydrophobicContact CD1-CG1 4.14Å; I108-V188 HydrophobicContact CG1-CG1 4.23Å; A184-V188 PolarHBondContact O-N 3.15Å; A184-V188 VanDerWaalsContact O-N 3.16Å; L185-V188 PolarHBondContact O-N 3.05Å; V188-L191 WeakPolarHBondContact O-CB 3.44Å; V188-L191 PolarHBondContact O-N 3.47Å; V188-F192 HydrophobicContact CG1-CD2 3.9Å; V188-F192 HydrophobicContact CG1-CE2 3.68Å; V188-F192 WeakPolarHBondContact O-CD2 3.19Å; V188-F192 PolarHBondContact O-N 2.91Å; V188-F192 VanDerWaalsContact O-N 3.09Å
189H98.7Very high97.9Very high28 Ų2857.1 Ų57.113%0.1331%0.313CS..Hα-helixtrans-59.7-46.6175.9-172.775.3000111.8T105 I108 G109 L112 L185 A186 I187 L193T105-H189 VanDerWaalsContact CG2-CE1 3.43Å; T105-H189 WeakPolarHBondContact CG2-CE1 3.26Å; T105-H189 PolarHBondContact O-CE1 3.43Å; T105-H189 PolarHBondContact O-ND1 3.12Å; I108-H189 HydrophobicContact CB-CB 4.43Å; I108-H189 HydrophobicContact CG2-CB 3.64Å; G109-H189 PolarHBondContact N-ND1 3.05Å; L112-H189 HydrophobicContact CD1-CB 3.81Å; L185-H189 WeakPolarHBondContact O-CB 3.45Å; L185-H189 PolarHBondContact O-N 2.9Å; A186-H189 WeakPolarHBondContact O-CB 3.29Å; A186-H189 PolarHBondContact O-N 3.39Å; I187-H189 VanDerWaalsContact C-N 3.32Å; I187-H189 PolarHBondContact O-N 2.82Å; H189-L193 PolarHBondContact O-N 2.86Å
190L98.3Very high97.9Very high75 Ų7556.5 Ų56.539%0.39331%0.309SS..Hα-helixtrans-68.7-34.1177.1-71.3172.2000112.4A186 I187 L193 H194A186-L190 WeakPolarHBondContact O-CG 3.36Å; A186-L190 PolarHBondContact O-N 3.49Å; I187-L190 PolarHBondContact O-N 3.35Å; L190-L193 HydrophobicContact CD2-CD2 4.17Å; L190-L193 PolarHBondContact O-N 3.07Å; L190-H194 WeakPolarHBondContact O-CB 3.39Å; L190-H194 PolarHBondContact O-CD2 3.15Å; L190-H194 PolarHBondContact O-N 3.35Å
191L97.8Very high97.9Very high95 Ų9554 Ų5450%0.49730%0.302SS..Hα-helixtrans-59-52.8174.5-174.5158.6000110.5I187 V188 L193 H194 E195I187-L191 WeakPolarHBondContact O-CB 3.3Å; I187-L191 PolarHBondContact O-N 2.94Å; V188-L191 WeakPolarHBondContact O-CB 3.44Å; V188-L191 PolarHBondContact O-N 3.47Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 3.45Å; L191-H194 PolarHBondContact O-N 2.93Å; L191-H194 VanDerWaalsContact O-N 3.12Å; L191-E195 PolarHBondContact O-N 3.44Å
192F98.3Very high97.8Very high74 Ų7454.2 Ų54.233%0.32531%0.307SS..Hα-helixtrans-63.7-35.5177.1-75.8-60.8000112.9E104 T105 I108 V188 H194 E195E104-F192 HydrophobicContact CB-CB 4.15Å; E104-F192 HydrophobicContact CB-CD1 3.65Å; E104-F192 HydrophobicContact CB-CD2 4.11Å; E104-F192 HydrophobicContact CB-CE1 3.99Å; E104-F192 HydrophobicContact CB-CE2 4.41Å; E104-F192 HydrophobicContact CB-CG 3.72Å; E104-F192 HydrophobicContact CB-CZ 4.36Å; E104-F192 HydrophobicContact CG-CD1 4.15Å; E104-F192 HydrophobicContact CG-CE1 4.11Å; T105-F192 VanDerWaalsContact OG1-C 3.31Å; T105-F192 WeakPolarHBondContact OG1-CB 3.45Å; I108-F192 HydrophobicContact CG1-CD2 4.06Å; I108-F192 HydrophobicContact CG1-CE2 4.2Å; V188-F192 HydrophobicContact CG1-CD2 3.9Å; V188-F192 HydrophobicContact CG1-CE2 3.68Å; V188-F192 WeakPolarHBondContact O-CD2 3.19Å; V188-F192 PolarHBondContact O-N 2.91Å; V188-F192 VanDerWaalsContact O-N 3.09Å; F192-H194 VanDerWaalsContact C-N 3.29Å; F192-H194 PolarHBondContact O-N 2.98Å; F192-E195 PolarHBondContact O-N 3.38Å
193L98Very high97.7Very high37 Ų3756.5 Ų56.519%0.19433%0.332CS..Hα-helixtrans-61.9-37.9173.8179.364.7000112T105 H189 L190 L191 E195 T196 G197T105-L193 HydrophobicContact CG2-CB 4.11Å; T105-L193 HydrophobicContact CG2-CD1 4.41Å; T105-L193 PolarHBondContact OG1-N 3.35Å; H189-L193 PolarHBondContact O-N 2.86Å; L190-L193 HydrophobicContact CD2-CD2 4.17Å; L190-L193 PolarHBondContact O-N 3.07Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 3.45Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.23Å; L193-T196 PolarHBondContact O-N 2.96Å; L193-T196 PolarHBondContact O-OG1 2.94Å; L193-G197 CarbonylContact O-C 3.25Å; L193-G197 WeakPolarHBondContact O-CA 3.29Å; L193-G197 PolarHBondContact O-N 3.39Å
194H97.2Very high97.5Very high69 Ų6960.8 Ų60.832%0.31935%0.35SS..Hα-helixtrans-74.3-20.2-178.9-70173000113.5L190 L191 F192 T196L190-H194 WeakPolarHBondContact O-CB 3.39Å; L190-H194 PolarHBondContact O-CD2 3.15Å; L190-H194 PolarHBondContact O-N 3.35Å; L191-H194 PolarHBondContact O-N 2.93Å; L191-H194 VanDerWaalsContact O-N 3.12Å; F192-H194 VanDerWaalsContact C-N 3.29Å; F192-H194 PolarHBondContact O-N 2.98Å; H194-T196 VanDerWaalsContact C-N 3.34Å
195E96.3Very high97.4Very high150 Ų15064.1 Ų64.170%0.70136%0.36SS*.Hα-helixtrans-65-37.3172.2-66.8-62.6130.900112L191 F192 L193L191-E195 PolarHBondContact O-N 3.44Å; F192-E195 PolarHBondContact O-N 3.38Å; L193-E195 VanDerWaalsContact C-N 3.31Å; L193-E195 PolarHBondContact O-N 3.23Å
196T94.3Very high97.3Very high76 Ų7663 Ų6347%0.46636%0.356SS..Hα-helixtrans-100.4-24.6-179.560.40000113.5F102 L193 H194F102-T196 HydrophobicContact CD1-CG2 4.28Å; L193-T196 PolarHBondContact O-N 2.96Å; L193-T196 PolarHBondContact O-OG1 2.94Å; H194-T196 VanDerWaalsContact C-N 3.34Å
197G95.7Very high97.2Very high12 Ų1266.5 Ų66.512%0.12437%0.371CS..  trans75.9174.6-162.800000112.6L193L193-G197 CarbonylContact O-C 3.25Å; L193-G197 WeakPolarHBondContact O-CA 3.29Å; L193-G197 PolarHBondContact O-N 3.39Å
198S97.2Very high97.1Very high36 Ų3666.1 Ų66.125%0.25239%0.385SS..  trans-72.8142.2178.9-73.60000112.4P17P17-S198 VanDerWaalsContact CG-O 3.3Å; P17-S198 WeakPolarHBondContact CG-O 3.23Å
199N97.8Very high97Very high22 Ų2267.8 Ų67.812%0.11839%0.392CS..  trans-68.9174.8160.9-169.816.1000110.2W24 Y97 S99 F102W24-N199 VanDerWaalsContact CE2-O 3.25Å; W24-N199 HydrophobicContact CZ2-CB 4.33Å; W24-N199 VanDerWaalsContact CZ2-O 3.23Å; W24-N199 WeakPolarHBondContact CZ2-O 3.2Å; W24-N199 PolarHBondContact NE1-O 3.4Å; Y97-N199 PolarHBondContact O-ND2 3.08Å; S99-N199 PolarHBondContact OG-ND2 3.34Å; F102-N199 HydrophobicContact CE2-CB 3.69Å; F102-N199 HydrophobicContact CZ-CB 3.98Å
200N98.4Very high97Very high4 Ų469.9 Ų69.92%0.02140%0.401CS..  trans-143.1168.5178.173.983.9000112.5P17 N19 I20 T202 G203 L204P17-N200 HydrophobicContact CB-CB 3.74Å; P17-N200 HydrophobicContact CG-CB 4.06Å; N19-N200 PolarHBondContact ND2-OD1 3.2Å; N19-N200 WeakPolarHBondContact OD1-CB 3.49Å; I20-N200 HydrophobicContact CG2-CB 4.1Å; N200-T202 PolarHBondContact O-N 2.99Å; N200-T202 VanDerWaalsContact O-N 3.12Å; N200-T202 PolarHBondContact OD1-N 2.67Å; N200-T202 VanDerWaalsContact OD1-N 3.08Å; N200-T202 PolarHBondContact OD1-OG1 3.1Å; N200-G203 PolarHBondContact O-N 3.42Å; N200-G203 VanDerWaalsContact O-N 3.09Å; N200-L204 PolarHBondContact ND2-O 2.89Å
201P98.3Very high97Very high41 Ų4168 Ų6827%0.26639%0.391SS..THydrogen-bonded Turntrans-60.8-22.9-172.2-28.938000116.5N19 W24 Y97N19-P201 VanDerWaalsContact O-CD 3.28Å; N19-P201 WeakPolarHBondContact O-CD 3.23Å; N19-P201 WeakPolarHBondContact O-CG 3.29Å; W24-P201 HydrophobicContact CH2-CG 4.27Å; W24-P201 HydrophobicContact CZ3-CG 4Å; Y97-P201 HydrophobicContact CD1-CB 4.29Å; Y97-P201 HydrophobicContact CE1-CB 3.7Å; Y97-P201 HydrophobicContact CE1-CG 4.44Å
202T97.3Very high97Very high86 Ų8666.1 Ų66.153%0.52838%0.384SS..THydrogen-bonded Turntrans-86.2-14.9179.668.70000112.7N200 L204N200-T202 PolarHBondContact O-N 2.99Å; N200-T202 VanDerWaalsContact O-N 3.12Å; N200-T202 PolarHBondContact OD1-N 2.67Å; N200-T202 VanDerWaalsContact OD1-N 3.08Å; N200-T202 PolarHBondContact OD1-OG1 3.1Å; T202-L204 PolarHBondContact O-N 3.03Å; T202-L204 PolarHBondContact OG1-N 3Å
203G95.1Very high97Very high53 Ų5364.1 Ų64.155%0.54638%0.376SS..  trans67.96.9-174.500000114.5N200N200-G203 PolarHBondContact O-N 3.42Å; N200-G203 VanDerWaalsContact O-N 3.09Å
204L95.7Very high97Very high121 Ų12167 Ų6763%0.63439%0.388SS*.SBendtrans-91.1159.9177.3-58.3178.6000111N200 T202 S206N200-L204 PolarHBondContact ND2-O 2.89Å; T202-L204 PolarHBondContact O-N 3.03Å; T202-L204 PolarHBondContact OG1-N 3Å; L204-S206 PolarHBondContact O-N 3.23Å
205N96.3Very high97Very high124 Ų12466.9 Ų66.966%0.66339%0.393SS*.  trans-60129.3171.9-173.1-21.1000109.8D207N205-D207 PolarHBondContact ND2-OD2 3.35Å; N205-D207 VanDerWaalsContact OD1-CB 3.28Å; N205-D207 WeakPolarHBondContact OD1-CB 3.39Å; N205-D207 PolarHBondContact OD1-N 2.92Å; N205-D207 PolarHBondContact OD1-OD2 3.32Å; N205-D207 VanDerWaalsContact OD1-OD2 3.06Å
206S96.6Very high97.1Very high19 Ų1966 Ų6613%0.13338%0.384CS..  trans-104.44.2-177.356.40000114.3P17 L204 A208 D209 K210P17-S206 WeakPolarHBondContact CG-OG 3.28Å; L204-S206 PolarHBondContact O-N 3.23Å; S206-A208 PolarHBondContact O-N 3.37Å; S206-A208 VanDerWaalsContact O-N 3.09Å; S206-D209 CarbonylContact O-C 3.59Å; S206-D209 VanDerWaalsContact O-C 3.25Å; S206-D209 PolarHBondContact O-N 3Å; S206-K210 WeakPolarHBondContact O-CG 3.41Å
207D96.5Very high97.3Very high101 Ų10162.9 Ų62.954%0.5436%0.364SS..THydrogen-bonded Turntrans-56-29.7-177.1-71.2-27.9000113.3N205 D209 K210N205-D207 PolarHBondContact ND2-OD2 3.35Å; N205-D207 VanDerWaalsContact OD1-CB 3.28Å; N205-D207 WeakPolarHBondContact OD1-CB 3.39Å; N205-D207 PolarHBondContact OD1-N 2.92Å; N205-D207 PolarHBondContact OD1-OD2 3.32Å; N205-D207 VanDerWaalsContact OD1-OD2 3.06Å; D207-D209 VanDerWaalsContact C-N 3.25Å; D207-D209 PolarHBondContact O-N 3.45Å; D207-K210 WeakPolarHBondContact OD1-CE 3.23Å; D207-K210 IonicContact OD1-NZ 2.65Å; D207-K210 PolarHBondContact OD1-NZ 2.96Å
208A96.3Very high97.4Very high109 Ų10963.9 Ų63.990%0.90137%0.368SS*.THydrogen-bonded Turntrans-70.3-19176.600000113.7S206S206-A208 PolarHBondContact O-N 3.37Å; S206-A208 VanDerWaalsContact O-N 3.09Å
209D97.3Very high97.5Very high92 Ų9267.3 Ų67.349%0.49238%0.382SS..SBendtrans-145.373.6-177-172.924.6000111.6S18 S206 D207S18-D209 VanDerWaalsContact CB-OD2 3.31Å; S18-D209 WeakPolarHBondContact CB-OD2 3.25Å; S18-D209 PolarHBondContact N-O 3.02Å; S18-D209 VanDerWaalsContact OG-CG 3.25Å; S18-D209 PolarHBondContact OG-OD2 3.42Å; S206-D209 CarbonylContact O-C 3.59Å; S206-D209 VanDerWaalsContact O-C 3.25Å; S206-D209 PolarHBondContact O-N 3Å; D207-D209 VanDerWaalsContact C-N 3.25Å; D207-D209 PolarHBondContact O-N 3.45Å
210K97.8Very high97.5Very high72 Ų7268.7 Ų68.731%0.31339%0.387SS..EExtended strand (participates in β ladder)trans-106.2142.8171.3-67.2-172.6174.8167.20110.7P15 A16 S206 D207P15-K210 HydrophobicContact CB-CB 4.12Å; P15-K210 HydrophobicContact CB-CD 3.85Å; P15-K210 HydrophobicContact CG-CD 4.5Å; A16-K210 VanDerWaalsContact O-CA 3.31Å; A16-K210 WeakPolarHBondContact O-CA 3.47Å; S206-K210 WeakPolarHBondContact O-CG 3.41Å; D207-K210 WeakPolarHBondContact OD1-CE 3.23Å; D207-K210 IonicContact OD1-NZ 2.65Å; D207-K210 PolarHBondContact OD1-NZ 2.96Å
211I98.1Very high97.5Very high36 Ų3669.7 Ų69.719%0.18539%0.393CS..EExtended strand (participates in β ladder)trans-116.6152.3173.162179.8000109.4A16 Y216 Y217A16-I211 PolarHBondContact N-O 3.04Å; A16-I211 PolarHBondContact O-N 2.61Å; I211-Y216 HydrophobicContact CB-CD2 4.11Å; I211-Y216 HydrophobicContact CB-CE2 4.26Å; I211-Y216 HydrophobicContact CD1-CD1 4.26Å; I211-Y216 HydrophobicContact CD1-CD2 3.94Å; I211-Y216 HydrophobicContact CD1-CG 3.74Å; I211-Y216 HydrophobicContact CG1-CD2 4.26Å; I211-Y217 HydrophobicContact CD1-CE2 3.82Å; I211-Y217 HydrophobicContact CG1-CE2 3.83Å
212P97.9Very high97.5Very high54 Ų5472 Ų7235%0.35140%0.402SS..EExtended strand (participates in β ladder)trans-63.714817428.4-35.6000110.5H214 Y216P212-H214 VanDerWaalsContact C-N 3.35Å; P212-H214 WeakPolarHBondContact CB-O 3.33Å; P212-H214 WeakPolarHBondContact CG-O 3.37Å; P212-H214 PolarHBondContact O-N 2.93Å; P212-Y216 HydrophobicContact CG-CD2 4.31Å; P212-Y216 HydrophobicContact CG-CE2 4.19Å; P212-Y216 WeakPolarHBondContact O-CD2 3.2Å
213F98.3Very high97.6Very high32 Ų3272.8 Ų72.814%0.1440%0.402CS..SBendtrans-62.6-42.6179.1-169.3-85.2000111.9F11 I12 L14 P215 Y216 Y217 T218F11-F213 VanDerWaalsContact O-CD1 3.23Å; F11-F213 WeakPolarHBondContact O-CD1 3.4Å; I12-F213 PolarHBondContact O-N 2.92Å; L14-F213 HydrophobicContact CB-CB 3.97Å; L14-F213 HydrophobicContact CD2-CD2 4.16Å; L14-F213 WeakPolarHBondContact O-CB 3.34Å; L14-F213 PolarHBondContact O-N 2.97Å; F213-P215 CarbonylContact O-C 3.4Å; F213-Y216 PolarHBondContact O-N 3.03Å; F213-Y217 VanDerWaalsContact CD2-CB 3.5Å; F213-Y217 HydrophobicContact CD2-CD2 4.06Å; F213-Y217 HydrophobicContact CD2-CG 4.11Å; F213-Y217 HydrophobicContact CE2-CG 4.15Å; F213-Y217 WeakPolarHBondContact O-CA 3.4Å; F213-Y217 PolarHBondContact O-N 3.44Å; F213-T218 HydrophobicContact CD1-CG2 3.65Å; F213-T218 HydrophobicContact CE1-CG2 3.71Å; F213-T218 PolarHBondContact O-N 2.73Å
214H98.1Very high97.7Very high98 Ų9871 Ų7145%0.45438%0.384SS..THydrogen-bonded Turntrans-91.8133.2169.9-174.570.4000110.8I12 P212 T218I12-H214 HydrophobicContact CG2-CB 4.04Å; I12-H214 PolarHBondContact O-N 3.32Å; P212-H214 VanDerWaalsContact C-N 3.35Å; P212-H214 WeakPolarHBondContact CB-O 3.33Å; P212-H214 WeakPolarHBondContact CG-O 3.37Å; P212-H214 PolarHBondContact O-N 2.93Å; H214-T218 HydrophobicContact CB-CG2 3.96Å; H214-T218 PolarHBondContact ND1-OG1 3.25Å
215P98.1Very high97.9Very high66 Ų6667.2 Ų67.243%0.42936%0.364SS..THydrogen-bonded Turncis-88.2-15.32.134.7-35.4000114.6F213 Y217 T218 I219F213-P215 CarbonylContact O-C 3.4Å; P215-Y217 PolarHBondContact O-N 3.45Å; P215-T218 VanDerWaalsContact C-OG1 3.3Å; P215-T218 WeakPolarHBondContact CA-OG1 3.48Å; P215-T218 PolarHBondContact O-N 3.34Å; P215-T218 PolarHBondContact O-OG1 2.94Å; P215-I219 WeakPolarHBondContact O-CG2 3.15Å; P215-I219 PolarHBondContact O-N 3.35Å
216Y98.4Very high98Very high131 Ų13166.6 Ų66.651%0.51436%0.36SS..Hα-helixtrans-57.6-54.2-163.1-61.8-78.3000114.4I211 P212 F213 I219 K220I211-Y216 HydrophobicContact CB-CD2 4.11Å; I211-Y216 HydrophobicContact CB-CE2 4.26Å; I211-Y216 HydrophobicContact CD1-CD1 4.26Å; I211-Y216 HydrophobicContact CD1-CD2 3.94Å; I211-Y216 HydrophobicContact CD1-CG 3.74Å; I211-Y216 HydrophobicContact CG1-CD2 4.26Å; P212-Y216 HydrophobicContact CG-CD2 4.31Å; P212-Y216 HydrophobicContact CG-CE2 4.19Å; P212-Y216 WeakPolarHBondContact O-CD2 3.2Å; F213-Y216 PolarHBondContact O-N 3.03Å; Y216-I219 VanDerWaalsContact O-CG2 3.32Å; Y216-I219 WeakPolarHBondContact O-CG2 3.25Å; Y216-K220 WeakPolarHBondContact O-CB 3.38Å; Y216-K220 PolarHBondContact O-N 3.28Å
217Y98.3Very high98.1Very high11 Ų1169.8 Ų69.84%0.04338%0.375CS..Hα-helixtrans-83.5-26-179.6-66.8-59.2000112.3A16 P17 S18 I20 I211 F213 P215 I219 K220 D221A16-Y217 HydrophobicContact CB-CD2 3.6Å; A16-Y217 HydrophobicContact CB-CE2 3.43Å; A16-Y217 VanDerWaalsContact CB-CE2 3.43Å; P17-Y217 PolarHBondContact O-OH 3.26Å; S18-Y217 VanDerWaalsContact C-OH 3.31Å; S18-Y217 PolarHBondContact O-OH 2.77Å; I20-Y217 HydrophobicContact CD1-CD1 3.81Å; I20-Y217 HydrophobicContact CD1-CD2 4.31Å; I20-Y217 HydrophobicContact CD1-CE1 3.45Å; I20-Y217 VanDerWaalsContact CD1-CE1 3.45Å; I20-Y217 HydrophobicContact CD1-CE2 3.95Å; I20-Y217 HydrophobicContact CD1-CG 4.26Å; I20-Y217 HydrophobicContact CG1-CD1 4.03Å; I20-Y217 HydrophobicContact CG1-CE1 3.25Å; I20-Y217 HydrophobicContact CG1-CE2 4.34Å; I20-Y217 VanDerWaalsContact CG1-CZ 3.44Å; I20-Y217 WeakPolarHBondContact CG1-OH 3.33Å; I211-Y217 HydrophobicContact CD1-CE2 3.82Å; I211-Y217 HydrophobicContact CG1-CE2 3.83Å; F213-Y217 VanDerWaalsContact CD2-CB 3.5Å; F213-Y217 HydrophobicContact CD2-CD2 4.06Å; F213-Y217 HydrophobicContact CD2-CG 4.11Å; F213-Y217 HydrophobicContact CE2-CG 4.15Å; F213-Y217 WeakPolarHBondContact O-CA 3.4Å; F213-Y217 PolarHBondContact O-N 3.44Å; P215-Y217 PolarHBondContact O-N 3.45Å; Y217-I219 PolarHBondContact O-N 3.21Å; Y217-K220 HydrophobicContact CD1-CD 3.88Å; Y217-K220 HydrophobicContact CE1-CD 4.06Å; Y217-K220 PolarHBondContact O-N 3.41Å; Y217-D221 VanDerWaalsContact O-CB 3.23Å; Y217-D221 WeakPolarHBondContact O-CB 3.41Å; Y217-D221 PolarHBondContact O-N 3.43Å
218T98.2Very high98.1Very high34 Ų3465.4 Ų65.421%0.20935%0.351CS..Hα-helixtrans-60.2-47.1171.757.50000112.3F213 H214 P215 D221 I222F213-T218 HydrophobicContact CD1-CG2 3.65Å; F213-T218 HydrophobicContact CE1-CG2 3.71Å; F213-T218 PolarHBondContact O-N 2.73Å; H214-T218 HydrophobicContact CB-CG2 3.96Å; H214-T218 PolarHBondContact ND1-OG1 3.25Å; P215-T218 VanDerWaalsContact C-OG1 3.3Å; P215-T218 WeakPolarHBondContact CA-OG1 3.48Å; P215-T218 PolarHBondContact O-N 3.34Å; P215-T218 PolarHBondContact O-OG1 2.94Å; T218-D221 PolarHBondContact O-N 2.89Å; T218-I222 WeakPolarHBondContact O-CD1 3.43Å; T218-I222 VanDerWaalsContact O-CG1 3.29Å; T218-I222 WeakPolarHBondContact O-CG1 3.36Å; T218-I222 PolarHBondContact O-N 2.95Å
219I98.4Very high98.1Very high108 Ų10864.2 Ų64.255%0.55433%0.325SS*.Hα-helixtrans-70.4-37.7179.2-168.963.4000111.7P215 Y216 Y217 D221 I222 L223P215-I219 WeakPolarHBondContact O-CG2 3.15Å; P215-I219 PolarHBondContact O-N 3.35Å; Y216-I219 VanDerWaalsContact O-CG2 3.32Å; Y216-I219 WeakPolarHBondContact O-CG2 3.25Å; Y217-I219 PolarHBondContact O-N 3.21Å; I219-D221 VanDerWaalsContact C-N 3.34Å; I219-I222 PolarHBondContact O-N 3.47Å; I219-L223 PolarHBondContact O-N 2.93Å
220K98.5Very high98Very high51 Ų5167 Ų6722%0.22234%0.34CS..Hα-helixtrans-64.3-40.2177.1-170.4-170.4168.1-157.30111.4I20 S21 N25 Y216 Y217 L223 G224I20-K220 PolarHBondContact O-NZ 2.78Å; S21-K220 VanDerWaalsContact C-NZ 3.27Å; S21-K220 PolarHBondContact O-NZ 3.48Å; N25-K220 PolarHBondContact ND2-O 3.48Å; N25-K220 WeakPolarHBondContact OD1-CE 3.43Å; N25-K220 PolarHBondContact OD1-NZ 3.14Å; Y216-K220 WeakPolarHBondContact O-CB 3.38Å; Y216-K220 PolarHBondContact O-N 3.28Å; Y217-K220 HydrophobicContact CD1-CD 3.88Å; Y217-K220 HydrophobicContact CE1-CD 4.06Å; Y217-K220 PolarHBondContact O-N 3.41Å; K220-L223 PolarHBondContact O-N 3.3Å; K220-G224 PolarHBondContact O-N 2.95Å
221D98.4Very high97.8Very high24 Ų2469.4 Ų69.413%0.12836%0.355CS..Hα-helixtrans-69.4-41.3176.3-80.32.7000111.8N25 S28 Y217 T218 I219 L223 G224 I225N25-D221 PolarHBondContact ND2-OD1 3.15Å; S28-D221 WeakPolarHBondContact CB-OD2 3.25Å; S28-D221 PolarHBondContact OG-OD1 3.24Å; S28-D221 PolarHBondContact OG-OD2 3.25Å; Y217-D221 VanDerWaalsContact O-CB 3.23Å; Y217-D221 WeakPolarHBondContact O-CB 3.41Å; Y217-D221 PolarHBondContact O-N 3.43Å; T218-D221 PolarHBondContact O-N 2.89Å; I219-D221 VanDerWaalsContact C-N 3.34Å; D221-L223 VanDerWaalsContact C-N 3.28Å; D221-L223 PolarHBondContact O-N 3.3Å; D221-G224 PolarHBondContact O-N 3.13Å; D221-G224 VanDerWaalsContact O-N 3.12Å; D221-I225 VanDerWaalsContact O-CG1 3.25Å; D221-I225 WeakPolarHBondContact O-CG1 3.5Å; D221-I225 PolarHBondContact O-N 2.96Å
222I98.6Very high97.3Very high90 Ų9071.3 Ų71.346%0.46237%0.365SS..Hα-helixtrans-56.8-44.2172.4-72.2161.2000110.7T218 I219 G224 I225 L226T218-I222 WeakPolarHBondContact O-CD1 3.43Å; T218-I222 VanDerWaalsContact O-CG1 3.29Å; T218-I222 WeakPolarHBondContact O-CG1 3.36Å; T218-I222 PolarHBondContact O-N 2.95Å; I219-I222 PolarHBondContact O-N 3.47Å; I222-G224 PolarHBondContact O-N 2.96Å; I222-I225 PolarHBondContact O-N 3.32Å; I222-L226 HydrophobicContact CG2-CD1 4.16Å; I222-L226 HydrophobicContact CG2-CG 4.46Å; I222-L226 WeakPolarHBondContact O-CG 3.41Å; I222-L226 PolarHBondContact O-N 3.05Å
223L98.6Very high97.3Very high103 Ų10372.2 Ų72.254%0.53937%0.366SS..Hα-helixtrans-60.3-45.3175.517762.5000111.8I219 K220 D221 I225 L226 I227I219-L223 PolarHBondContact O-N 2.93Å; K220-L223 PolarHBondContact O-N 3.3Å; D221-L223 VanDerWaalsContact C-N 3.28Å; D221-L223 PolarHBondContact O-N 3.3Å; L223-I225 VanDerWaalsContact C-N 3.31Å; L223-I225 PolarHBondContact O-N 3.26Å; L223-L226 PolarHBondContact O-N 2.78Å; L223-I227 HydrophobicContact CD1-CD1 4.14Å; L223-I227 HydrophobicContact CD1-CG1 4.41Å; L223-I227 HydrophobicContact CG-CD1 4.06Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 3.23Å
224G98.4Very high97.2Very high15 Ų1574.3 Ų74.316%0.15538%0.377CS..Hα-helixtrans-58.9-42.8175.900000112.5K220 D221 I222 I227 M228K220-G224 PolarHBondContact O-N 2.95Å; D221-G224 PolarHBondContact O-N 3.13Å; D221-G224 VanDerWaalsContact O-N 3.12Å; I222-G224 PolarHBondContact O-N 2.96Å; G224-I227 PolarHBondContact O-N 3.37Å; G224-M228 PolarHBondContact O-N 3.38Å
225I98.5Very high97.2Very high41 Ų4173 Ų7321%0.2137%0.373CS..Hα-helixtrans-62.7-44.9177.7-68.8164.3000110.8L29 V32 D221 I222 L223 I227 M228 F229L29-I225 HydrophobicContact CD2-CB 4.43Å; L29-I225 HydrophobicContact CD2-CG1 3.82Å; V32-I225 HydrophobicContact CG2-CD1 3.77Å; V32-I225 HydrophobicContact CG2-CG1 3.98Å; D221-I225 VanDerWaalsContact O-CG1 3.25Å; D221-I225 WeakPolarHBondContact O-CG1 3.5Å; D221-I225 PolarHBondContact O-N 2.96Å; I222-I225 PolarHBondContact O-N 3.32Å; L223-I225 VanDerWaalsContact C-N 3.31Å; L223-I225 PolarHBondContact O-N 3.26Å; I225-I227 VanDerWaalsContact C-N 3.34Å; I225-I227 PolarHBondContact O-N 3.08Å; I225-M228 PolarHBondContact O-N 3.25Å; I225-F229 HydrophobicContact CG2-CD2 3.58Å; I225-F229 HydrophobicContact CG2-CE2 3.52Å; I225-F229 VanDerWaalsContact O-CD2 3.28Å; I225-F229 WeakPolarHBondContact O-CD2 3.2Å; I225-F229 PolarHBondContact O-N 3.24Å
226L98.4Very high97.1Very high111 Ų11173.4 Ų73.458%0.58137%0.37SS*.Hα-helixtrans-61.1-42.4177.2-70.8172.3000111.9I222 L223 F229 L230I222-L226 HydrophobicContact CG2-CD1 4.16Å; I222-L226 HydrophobicContact CG2-CG 4.46Å; I222-L226 WeakPolarHBondContact O-CG 3.41Å; I222-L226 PolarHBondContact O-N 3.05Å; L223-L226 PolarHBondContact O-N 2.78Å; L226-F229 PolarHBondContact O-N 2.96Å; L226-L230 PolarHBondContact O-N 3.15Å
227I98.1Very high97Very high87 Ų8769.8 Ų69.845%0.44636%0.361SS..Hα-helixtrans-64.2-43.6176.3-66.4166.6000110.6L223 G224 I225 F229 L230 I231L223-I227 HydrophobicContact CD1-CD1 4.14Å; L223-I227 HydrophobicContact CD1-CG1 4.41Å; L223-I227 HydrophobicContact CG-CD1 4.06Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 3.23Å; G224-I227 PolarHBondContact O-N 3.37Å; I225-I227 VanDerWaalsContact C-N 3.34Å; I225-I227 PolarHBondContact O-N 3.08Å; I227-F229 PolarHBondContact O-N 3.4Å; I227-L230 WeakPolarHBondContact O-CB 3.29Å; I227-L230 PolarHBondContact O-N 3.16Å; I227-I231 HydrophobicContact CG2-CD1 4Å; I227-I231 WeakPolarHBondContact O-CG1 3.42Å; I227-I231 PolarHBondContact O-N 2.97Å
228M97.6Very high96.9Very high8 Ų873.7 Ų73.74%0.03938%0.382CS..Hα-helixtrans-59.6-45.9177.5-175.7-170.27100111.5L29 V32 M82 G224 I225 L230 I231 L232L29-M228 HydrophobicContact CB-SD 4.09Å; L29-M228 HydrophobicContact CD2-CB 4.1Å; L29-M228 HydrophobicContact CD2-CE 4.49Å; L29-M228 HydrophobicContact CD2-SD 3.95Å; L29-M228 HydrophobicContact CG-SD 4.45Å; V32-M228 HydrophobicContact CB-CE 4.25Å; V32-M228 HydrophobicContact CG1-CE 3.73Å; M82-M228 HydrophobicContact CE-CG 4.08Å; M82-M228 HydrophobicContact CG-CG 3.78Å; M82-M228 HydrophobicContact CG-SD 4.01Å; M82-M228 HydrophobicContact SD-CG 3.89Å; G224-M228 PolarHBondContact O-N 3.38Å; I225-M228 PolarHBondContact O-N 3.25Å; M228-L230 VanDerWaalsContact C-N 3.29Å; M228-L230 PolarHBondContact O-N 3.43Å; M228-I231 PolarHBondContact O-N 3.49Å; M228-L232 WeakPolarHBondContact O-CB 3.42Å; M228-L232 PolarHBondContact O-N 2.83Å
229F95.8Very high96.9Very high84 Ų8476.6 Ų76.637%0.36840%0.395SS..Hα-helixtrans-69.4-22.6177.6-81.1-63.3000114V32 V36 I225 L226 I227 I231 L232V32-F229 HydrophobicContact CG1-CE2 3.94Å; V32-F229 HydrophobicContact CG1-CZ 3.92Å; V36-F229 HydrophobicContact CG2-CE1 4.16Å; V36-F229 HydrophobicContact CG2-CZ 3.91Å; I225-F229 HydrophobicContact CG2-CD2 3.58Å; I225-F229 HydrophobicContact CG2-CE2 3.52Å; I225-F229 VanDerWaalsContact O-CD2 3.28Å; I225-F229 WeakPolarHBondContact O-CD2 3.2Å; I225-F229 PolarHBondContact O-N 3.24Å; L226-F229 PolarHBondContact O-N 2.96Å; I227-F229 PolarHBondContact O-N 3.4Å; F229-I231 VanDerWaalsContact C-N 3.29Å; F229-L232 HydrophobicContact CD1-CD2 4.12Å; F229-L232 HydrophobicContact CE1-CD2 4.2Å
230L95.9Very high96.7Very high151 Ų15174.2 Ų74.279%0.79138%0.382SS*.Hα-helixtrans-71.9-28.3172.6-175.465.6000112L226 I227 M228L226-L230 PolarHBondContact O-N 3.15Å; I227-L230 WeakPolarHBondContact O-CB 3.29Å; I227-L230 PolarHBondContact O-N 3.16Å; M228-L230 VanDerWaalsContact C-N 3.29Å; M228-L230 PolarHBondContact O-N 3.43Å
231I92.6Very high96.6Very high123 Ų12376.1 Ų76.163%0.63140%0.396SS*.Hα-helixtrans-89-28.1-179.2-61.3166.8000111.5M82 I227 M228 F229M82-I231 HydrophobicContact CE-CB 4Å; M82-I231 HydrophobicContact CE-CG2 3.79Å; I227-I231 HydrophobicContact CG2-CD1 4Å; I227-I231 WeakPolarHBondContact O-CG1 3.42Å; I227-I231 PolarHBondContact O-N 2.97Å; M228-I231 PolarHBondContact O-N 3.49Å; F229-I231 VanDerWaalsContact C-N 3.29Å
232L88.3Confident96.4Very high76 Ų7680.8 Ų80.840%0.39842%0.42SS..  trans-76.90-179.7-17766.7000112.7N78 M82 M228 F229N78-L232 HydrophobicContact CB-CD1 3.92Å; M82-L232 HydrophobicContact CB-CD1 4.1Å; M82-L232 HydrophobicContact CE-CB 4.33Å; M228-L232 WeakPolarHBondContact O-CB 3.42Å; M228-L232 PolarHBondContact O-N 2.83Å; F229-L232 HydrophobicContact CD1-CD2 4.12Å; F229-L232 HydrophobicContact CE1-CD2 4.2Å

Retrieved 232 of 232 residues in 47 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).