A0A077Z217_TRITR Loading...

Co chaperone protein HscB, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z217, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low39.6Very low221 Ų221167.1 Ų167.1100%1.08985%0.849SS**  086.10-173.5171.4117.700108.1
2W41Very low40.5Very low245 Ų245162.6 Ų162.693%0.92882%0.822SS**  trans-132.796.4160.7-67.9100.5000103.8H4W2-H4 PolarHBondContact O-N 2.96Å
3L37.6Very low41.8Very low159 Ų159165.9 Ų165.983%0.83282%0.819SS**  trans-66.9115.5168.1-73.5161.6000104.9D5L3-D5 VanDerWaalsContact C-N 3.32Å; L3-D5 PolarHBondContact O-N 3.29Å
4H38.8Very low43.1Very low180 Ų180159.4 Ų159.483%0.83380%0.795SS**  trans-62.3104.2164.2-83-79.2000106.3W2 S6W2-H4 PolarHBondContact O-N 2.96Å; H4-S6 PolarHBondContact O-N 2.98Å
5D39.2Very low44.9Very low159 Ų159155.4 Ų155.485%0.8577%0.773SS**  trans-59.887.8160.9-95.6-34.2000107L3 K7L3-D5 VanDerWaalsContact C-N 3.32Å; L3-D5 PolarHBondContact O-N 3.29Å; D5-K7 VanDerWaalsContact C-N 3.29Å; D5-K7 PolarHBondContact O-N 2.84Å
6S38.7Very low47.4Very low107 Ų107147.4 Ų147.475%0.74874%0.738SS**  trans-61.1101.8157.2-60.90000105.4H4 P8H4-S6 PolarHBondContact O-N 2.98Å; S6-P8 VanDerWaalsContact O-N 3.12Å
7K36.7Very low50Low190 Ų190143.5 Ų143.583%0.82672%0.724SS**  trans-48124.7163.8-84.6-174.1177.1-179.10106.5D5 E9D5-K7 VanDerWaalsContact C-N 3.29Å; D5-K7 PolarHBondContact O-N 2.84Å; K7-E9 PolarHBondContact O-N 3.15Å; K7-E9 VanDerWaalsContact O-N 3.15Å
8P38Very low52.5Low115 Ų115135.5 Ų135.575%0.74768%0.684SS**  trans-59.4125.7178.924.3-31.2000106.8S6 E10S6-P8 VanDerWaalsContact O-N 3.12Å; P8-E10 PolarHBondContact O-N 2.98Å
9E42.5Very low54.7Low189 Ų189130.9 Ų130.988%0.88366%0.658SS**  trans-44.5117164.8-76.6176.9151.300106.3K7 A11K7-E9 PolarHBondContact O-N 3.15Å; K7-E9 VanDerWaalsContact O-N 3.15Å; E9-A11 PolarHBondContact O-N 2.79Å
10E42.3Very low56.7Low181 Ų181128.7 Ų128.785%0.84664%0.644SS**  trans-49.3116178.5-86.6170.5145.200107.2P8 H12P8-E10 PolarHBondContact O-N 2.98Å; E10-H12 PolarHBondContact O-N 2.92Å
11A44.8Very low58.6Low92 Ų92124.8 Ų124.876%0.7663%0.629SS**  trans-52.9104.7179.100000107.5E9 R13E9-A11 PolarHBondContact O-N 2.79Å; A11-R13 PolarHBondContact O-N 3.11Å; A11-R13 VanDerWaalsContact O-N 3.11Å
12H50.5Low61.3Low113 Ų113120.9 Ų120.952%0.52361%0.608SS.*PPolyproline II helixtrans-56.2121.5178.8-96.3-77.3000107.1E10 H15E10-H12 PolarHBondContact O-N 2.92Å; H12-H15 AromaticContact ND1-CE1 3.78Å
13R57.1Low63.8Low206 Ų206113.6 Ų113.678%0.77758%0.584SS**PPolyproline II helixtrans-68.3148.5176.9-66.7-175.1-170.9-163.12.8108.8A11 H15A11-R13 PolarHBondContact O-N 3.11Å; A11-R13 VanDerWaalsContact O-N 3.11Å; R13-H15 PolarHBondContact O-CE1 3.5Å; R13-H15 PolarHBondContact O-N 2.78Å; R13-H15 VanDerWaalsContact O-N 3.16Å; R13-H15 PolarHBondContact O-ND1 3.46Å
14P60.6Low66.4Low75 Ų75110.8 Ų110.849%0.48757%0.57SS.*PPolyproline II helixtrans-56.5121.9167.4-21.231.9000109.4L24 L25P14-L24 HydrophobicContact CB-CB 4.1Å; P14-L24 HydrophobicContact CB-CD2 4Å; P14-L24 HydrophobicContact CB-CG 4.45Å; P14-L24 HydrophobicContact CG-CB 4.39Å; P14-L24 HydrophobicContact CG-CD1 4.25Å; P14-L25 WeakPolarHBondContact CA-O 3.45Å
15H69.3Low68.9Low99 Ų99102.3 Ų102.346%0.45853%0.53SS..  trans-96-15-176.5-66.886.2000112.4H12 R13 C27H12-H15 AromaticContact ND1-CE1 3.78Å; R13-H15 PolarHBondContact O-CE1 3.5Å; R13-H15 PolarHBondContact O-N 2.78Å; R13-H15 VanDerWaalsContact O-N 3.16Å; R13-H15 PolarHBondContact O-ND1 3.46Å; H15-C27 HydrophobicContact CB-CB 4.29Å; H15-C27 PolarHBondContact ND1-SG 3.14Å
16A84.8Confident71.2Confident27 Ų2796.9 Ų96.922%0.22350%0.501CS..EExtended strand (participates in β ladder)trans-153.2163.7-176.400000111.7L25 L44A16-L25 HydrophobicContact CB-CB 4.49Å; A16-L25 HydrophobicContact CB-CD1 4.36Å; A16-L25 PolarHBondContact O-N 2.71Å; A16-L44 HydrophobicContact CB-CD2 3.82Å
17T92.1Very high73.3Confident81 Ų8191.8 Ų91.850%0.49747%0.466SS..EExtended strand (participates in β ladder)trans-110.7142.7167.751.10000109.4W19 E23 L24T17-W19 PolarHBondContact O-N 2.8Å; T17-E23 CarbonylContact C-O 3.53Å; T17-E23 WeakPolarHBondContact CA-O 3.47Å; T17-L24 HydrophobicContact CG2-CD2 4.01Å
18C94.6Very high75.5Confident0 Ų085.7 Ų85.70%044%0.441CS..  trans-54.3126173.5179.90000110.1H20 C21 H22 E23 L25 C34 C37 Q41C18-H20 PolarHBondContact O-N 3.04Å; C18-H20 VanDerWaalsContact O-N 3.16Å; C18-H20 PolarHBondContact SG-N 3.43Å; C18-H20 VanDerWaalsContact SG-N 3.43Å; C18-C21 VanDerWaalsContact CB-SG 3.6Å; C18-C21 PolarHBondContact SG-N 3.07Å; C18-C21 VanDerWaalsContact SG-N 3.41Å; C18-C21 PolarHBondContact SG-SG 2.74Å; C18-H22 WeakPolarHBondContact O-CA 3.35Å; C18-H22 PolarHBondContact O-N 3.16Å; C18-E23 HydrophobicContact CB-CB 4.43Å; C18-E23 PolarHBondContact N-O 3.23Å; C18-L25 HydrophobicContact CB-CD1 4.43Å; C18-L25 HydrophobicContact CB-CD2 4.06Å; C18-L25 HydrophobicContact CB-CG 4.3Å; C18-C34 HydrophobicContact CB-CB 4.23Å; C18-C34 VanDerWaalsContact SG-SG 3.67Å; C18-C37 VanDerWaalsContact SG-SG 3.61Å; C18-Q41 PolarHBondContact SG-NE2 2.99Å; C18-Q41 VanDerWaalsContact SG-NE2 3.44Å
19W94.4Very high77.9Confident49 Ų4983.2 Ų83.219%0.18643%0.43CS..THydrogen-bonded Turntrans-68.2-15.6-17966.8-95.8000113.2T17 F39 V40 K88 E89 F92T17-W19 PolarHBondContact O-N 2.8Å; W19-F39 AromaticContact CH2-CD1 3.6Å; W19-F39 HydrophobicContact CH2-CD1 3.6Å; W19-F39 HydrophobicContact CH2-CE1 4.05Å; W19-F39 HydrophobicContact CZ2-CB 4.3Å; W19-F39 AromaticContact CZ2-CD1 3.61Å; W19-F39 HydrophobicContact CZ2-CD1 3.61Å; W19-F39 HydrophobicContact CZ2-CE1 4.48Å; W19-F39 HydrophobicContact CZ2-CG 4.42Å; W19-F39 HydrophobicContact CZ3-CD1 4.46Å; W19-V40 PolarHBondContact NE1-O 3.18Å; W19-K88 HydrophobicContact CD2-CD 4.17Å; W19-K88 HydrophobicContact CD2-CG 4.44Å; W19-K88 HydrophobicContact CE3-CD 3.56Å; W19-K88 HydrophobicContact CE3-CG 4.12Å; W19-K88 HydrophobicContact CH2-CB 4.08Å; W19-K88 HydrophobicContact CH2-CD 4.15Å; W19-K88 HydrophobicContact CH2-CG 3.92Å; W19-K88 HydrophobicContact CZ2-CG 4.26Å; W19-K88 HydrophobicContact CZ3-CB 4.22Å; W19-K88 HydrophobicContact CZ3-CD 3.56Å; W19-K88 HydrophobicContact CZ3-CG 3.87Å; W19-E89 HydrophobicContact CH2-CG 3.8Å; W19-E89 HydrophobicContact CZ2-CG 3.74Å; W19-F92 AromaticContact CD1-CD2 3.88Å; W19-F92 AromaticContact CD1-CE2 3.51Å; W19-F92 HydrophobicContact CD2-CD2 4.3Å; W19-F92 AromaticContact CD2-CE2 3.76Å; W19-F92 HydrophobicContact CD2-CE2 3.76Å; W19-F92 AromaticContact CE2-CD2 3.63Å; W19-F92 AromaticContact CE2-CE2 3.58Å; W19-F92 HydrophobicContact CG-CD2 4.41Å; W19-F92 AromaticContact CG-CE2 3.7Å; W19-F92 HydrophobicContact CG-CE2 3.7Å; W19-F92 AromaticContact CZ2-CD2 3.96Å; W19-F92 HydrophobicContact CZ2-CD2 3.96Å; W19-F92 HydrophobicContact CZ2-CE2 4.19Å; W19-F92 AromaticContact NE1-CD2 3.39Å; W19-F92 AromaticContact NE1-CE2 3.45Å
20H95.5Very high80.2Confident85 Ų8574.5 Ų74.539%0.39439%0.39SS..THydrogen-bonded Turntrans-100.5-54.3-178.4176.3-92.6000112.8C18 F39C18-H20 PolarHBondContact O-N 3.04Å; C18-H20 VanDerWaalsContact O-N 3.16Å; C18-H20 PolarHBondContact SG-N 3.43Å; C18-H20 VanDerWaalsContact SG-N 3.43Å; H20-F39 HydrophobicContact CB-CB 4.09Å; H20-F39 HydrophobicContact CB-CD1 4Å; H20-F39 HydrophobicContact CB-CD2 4.31Å; H20-F39 HydrophobicContact CB-CG 3.86Å; H20-F39 AromaticContact CD2-CD1 3.8Å; H20-F39 AromaticContact CD2-CE1 3.47Å; H20-F39 VanDerWaalsContact CD2-CE1 3.47Å; H20-F39 WeakPolarHBondContact CD2-CE1 3.18Å; H20-F39 AromaticContact CD2-CE2 3.78Å; H20-F39 AromaticContact CD2-CZ 3.47Å; H20-F39 VanDerWaalsContact CD2-CZ 3.47Å; H20-F39 WeakPolarHBondContact CD2-CZ 3.4Å; H20-F39 AromaticContact CE1-CD2 3.88Å; H20-F39 AromaticContact CE1-CE2 3.45Å; H20-F39 VanDerWaalsContact CE1-CE2 3.45Å; H20-F39 WeakPolarHBondContact CE1-CE2 3.42Å; H20-F39 AromaticContact CE1-CZ 3.81Å; H20-F39 AromaticContact CG-CD1 3.83Å; H20-F39 AromaticContact CG-CD2 3.73Å; H20-F39 AromaticContact CG-CE1 3.96Å; H20-F39 AromaticContact CG-CE2 3.88Å; H20-F39 AromaticContact CG-CG 3.72Å; H20-F39 AromaticContact CG-CZ 4Å; H20-F39 AromaticContact ND1-CD2 3.6Å; H20-F39 AromaticContact ND1-CE2 3.68Å; H20-F39 AromaticContact NE2-CE1 3.88Å; H20-F39 AromaticContact NE2-CE2 3.52Å; H20-F39 AromaticContact NE2-CZ 3.35Å; H20-F39 VanDerWaalsContact NE2-CZ 3.35Å; H20-F39 WeakPolarHBondContact NE2-CZ 3.26Å
21C96.1Very high82.5Confident48 Ų4867.5 Ų67.532%0.32436%0.356SS..THydrogen-bonded Turntrans-105.6-2.7-176.769.40000114.8C18 E23 C34 C37C18-C21 VanDerWaalsContact CB-SG 3.6Å; C18-C21 PolarHBondContact SG-N 3.07Å; C18-C21 VanDerWaalsContact SG-N 3.41Å; C18-C21 PolarHBondContact SG-SG 2.74Å; C21-E23 PolarHBondContact O-N 2.87Å; C21-E23 VanDerWaalsContact O-N 3.14Å; C21-E23 VanDerWaalsContact SG-CB 3.58Å; C21-C34 VanDerWaalsContact SG-SG 3.64Å; C21-C37 HydrophobicContact CB-CB 4.09Å; C21-C37 VanDerWaalsContact SG-SG 3.64Å
22H93.9Very high84.9Confident139 Ų13964 Ų6464%0.64432%0.323SS*.  trans64.28.4-179.2-50.2-64.4000116.3C18C18-H22 WeakPolarHBondContact O-CA 3.35Å; C18-H22 PolarHBondContact O-N 3.16Å
23E93.2Very high87Confident92 Ų9261.6 Ų61.643%0.4331%0.311SS..PPolyproline II helixtrans-59.3146.5170.9-170.461.4-128.800111.4T17 C18 C21 L25 S36T17-E23 CarbonylContact C-O 3.53Å; T17-E23 WeakPolarHBondContact CA-O 3.47Å; C18-E23 HydrophobicContact CB-CB 4.43Å; C18-E23 PolarHBondContact N-O 3.23Å; C21-E23 PolarHBondContact O-N 2.87Å; C21-E23 VanDerWaalsContact O-N 3.14Å; C21-E23 VanDerWaalsContact SG-CB 3.58Å; E23-L25 PolarHBondContact O-N 2.84Å; E23-S36 WeakPolarHBondContact CG-OG 3.42Å
24L92Very high88.8Confident100 Ų10051.8 Ų51.852%0.52427%0.274SS..EExtended strand (participates in β ladder)trans-67.3130.7173.1-69.3172.2000110.3P14 T17P14-L24 HydrophobicContact CB-CB 4.1Å; P14-L24 HydrophobicContact CB-CD2 4Å; P14-L24 HydrophobicContact CB-CG 4.45Å; P14-L24 HydrophobicContact CG-CB 4.39Å; P14-L24 HydrophobicContact CG-CD1 4.25Å; T17-L24 HydrophobicContact CG2-CD2 4.01Å
25L90.2Very high90.3Very high2 Ų255.3 Ų55.31%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-100.9131.8177.6-59.4177.7000110.3P14 A16 C18 E23 D30 C34 Q41P14-L25 WeakPolarHBondContact CA-O 3.45Å; A16-L25 HydrophobicContact CB-CB 4.49Å; A16-L25 HydrophobicContact CB-CD1 4.36Å; A16-L25 PolarHBondContact O-N 2.71Å; C18-L25 HydrophobicContact CB-CD1 4.43Å; C18-L25 HydrophobicContact CB-CD2 4.06Å; C18-L25 HydrophobicContact CB-CG 4.3Å; E23-L25 PolarHBondContact O-N 2.84Å; L25-D30 HydrophobicContact CB-CB 4.18Å; L25-D30 HydrophobicContact CD2-CB 3.89Å; L25-C34 HydrophobicContact CD2-CB 3.98Å; L25-Q41 HydrophobicContact CD1-CB 4.47Å; L25-Q41 HydrophobicContact CD1-CG 3.81Å
26D88.5Confident91.5Very high44 Ų4453.9 Ų53.924%0.23528%0.279CS..PPolyproline II helixtrans-84.1123.2163.2-178.5-80.6000108.3M28 A29 D30D26-M28 PolarHBondContact O-N 2.89Å; D26-M28 WeakPolarHBondContact OD1-CA 3.29Å; D26-M28 WeakPolarHBondContact OD1-CB 3.34Å; D26-M28 PolarHBondContact OD1-N 2.94Å; D26-A29 HydrophobicContact CB-CB 4.16Å; D26-A29 PolarHBondContact O-N 2.81Å; D26-A29 PolarHBondContact OD1-N 3.41Å; D26-D30 PolarHBondContact N-OD2 3.21Å; D26-D30 WeakPolarHBondContact O-CA 3.38Å; D26-D30 VanDerWaalsContact O-CB 3.29Å; D26-D30 WeakPolarHBondContact O-CB 3.4Å; D26-D30 PolarHBondContact O-N 2.78Å
27C82.1Confident92.1Very high1 Ų154 Ų541%0.00728%0.278CS..THydrogen-bonded Turntrans-68.1-21.2-17462.60000114.1H15 R31 L44 C46 N47H15-C27 HydrophobicContact CB-CB 4.29Å; H15-C27 PolarHBondContact ND1-SG 3.14Å; C27-R31 WeakPolarHBondContact O-CG 3.44Å; C27-L44 HydrophobicContact CB-CD1 3.71Å; C27-C46 HydrophobicContact CB-CB 4.41Å; C27-C46 WeakPolarHBondContact CB-SG 3.41Å; C27-N47 PolarHBondContact O-ND2 2.95Å; C27-N47 PolarHBondContact O-OD1 2.83Å
28M83.6Confident92.2Very high61 Ų6156.2 Ų56.230%0.329%0.287SS..THydrogen-bonded Turntrans-89.3-35.4180-66.4-63.2-73.800111.1D26 R31 A51D26-M28 PolarHBondContact O-N 2.89Å; D26-M28 WeakPolarHBondContact OD1-CA 3.29Å; D26-M28 WeakPolarHBondContact OD1-CB 3.34Å; D26-M28 PolarHBondContact OD1-N 2.94Å; M28-R31 WeakPolarHBondContact O-CD 3.45Å; M28-R31 WeakPolarHBondContact O-CG 3.28Å; M28-R31 PolarHBondContact O-NE 3.44Å; M28-R31 PolarHBondContact O-NH1 3.41Å; M28-R31 VanDerWaalsContact O-NH1 3.09Å; M28-A51 HydrophobicContact CE-CB 4.14Å; M28-A51 HydrophobicContact SD-CB 4.32Å
29A86.8Confident92.2Very high64 Ų6458.1 Ų58.153%0.52930%0.295SS..THydrogen-bonded Turntrans-90.7-34-179.900000113.7D26 R35D26-A29 HydrophobicContact CB-CB 4.16Å; D26-A29 PolarHBondContact O-N 2.81Å; D26-A29 PolarHBondContact OD1-N 3.41Å; A29-R35 VanDerWaalsContact CB-NH2 3.31Å
30D91.2Very high92.2Very high5 Ų555.8 Ų55.83%0.02729%0.286CS..SBendtrans-106.133.2-175.3-54-66.6000113.1L25 D26 F32 R35L25-D30 HydrophobicContact CB-CB 4.18Å; L25-D30 HydrophobicContact CD2-CB 3.89Å; D26-D30 PolarHBondContact N-OD2 3.21Å; D26-D30 WeakPolarHBondContact O-CA 3.38Å; D26-D30 VanDerWaalsContact O-CB 3.29Å; D26-D30 WeakPolarHBondContact O-CB 3.4Å; D26-D30 PolarHBondContact O-N 2.78Å; D30-F32 PolarHBondContact O-N 3.09Å; D30-F32 VanDerWaalsContact O-N 3.14Å; D30-R35 VanDerWaalsContact CG-NE 3.32Å; D30-R35 VanDerWaalsContact OD1-CB 3.26Å; D30-R35 WeakPolarHBondContact OD1-CB 3.09Å; D30-R35 WeakPolarHBondContact OD1-CG 2.88Å; D30-R35 IonicContact OD1-CZ 3.58Å; D30-R35 PolarHBondContact OD1-N 3.32Å; D30-R35 IonicContact OD1-NE 2.8Å; D30-R35 PolarHBondContact OD1-NE 3.06Å; D30-R35 IonicContact OD1-NH2 3.52Å; D30-R35 IonicContact OD2-CZ 3.27Å; D30-R35 VanDerWaalsContact OD2-CZ 3.27Å; D30-R35 IonicContact OD2-NE 3.04Å; D30-R35 PolarHBondContact OD2-NE 3.42Å; D30-R35 IonicContact OD2-NH2 2.71Å; D30-R35 PolarHBondContact OD2-NH2 2.81Å
31R90.9Very high92.2Very high35 Ų3551.9 Ų51.913%0.13227%0.268CS..SBendtrans-53-35.4-173.4-71.1172.4-66.7-137-0.1115.3C27 M28 A51 D54 Q96C27-R31 WeakPolarHBondContact O-CG 3.44Å; M28-R31 WeakPolarHBondContact O-CD 3.45Å; M28-R31 WeakPolarHBondContact O-CG 3.28Å; M28-R31 PolarHBondContact O-NE 3.44Å; M28-R31 PolarHBondContact O-NH1 3.41Å; M28-R31 VanDerWaalsContact O-NH1 3.09Å; R31-A51 PolarHBondContact NH1-O 3.24Å; R31-D54 IonicContact CZ-OD1 3.14Å; R31-D54 IonicContact NH1-OD1 2.77Å; R31-D54 PolarHBondContact NH1-OD1 3.16Å; R31-D54 IonicContact NH2-OD1 3.98Å; R31-D54 PolarHBondContact NH2-OD1 3.03Å; R31-D54 IonicContact NH2-OD2 2.6Å; R31-D54 PolarHBondContact NH2-OD2 3.25Å; R31-Q96 PolarHBondContact O-NE2 3.43Å
32F94.3Very high92Very high18 Ų1851.3 Ų51.38%0.07926%0.264CS..SBendtrans-122.9-35.3-168.5-55.9-63.9000112.8D30 V40 Q41 F52 L73 L77 I100D30-F32 PolarHBondContact O-N 3.09Å; D30-F32 VanDerWaalsContact O-N 3.14Å; F32-V40 CarbonylContact O-C 3.52Å; F32-V40 VanDerWaalsContact O-CA 3.29Å; F32-V40 WeakPolarHBondContact O-CA 3.31Å; F32-Q41 PolarHBondContact O-N 3.29Å; F32-F52 AromaticContact CE1-CD1 3.95Å; F32-F52 HydrophobicContact CE1-CD1 3.95Å; F32-F52 HydrophobicContact CE1-CE1 4.41Å; F32-F52 HydrophobicContact CE1-CG 4.39Å; F32-F52 HydrophobicContact CZ-CB 3.99Å; F32-F52 AromaticContact CZ-CD1 3.82Å; F32-F52 HydrophobicContact CZ-CD1 3.82Å; F32-F52 HydrophobicContact CZ-CG 4.12Å; F32-L73 HydrophobicContact CD2-CD2 3.74Å; F32-L73 HydrophobicContact CE2-CD1 4.15Å; F32-L73 HydrophobicContact CE2-CD2 3.43Å; F32-L73 VanDerWaalsContact CE2-CD2 3.43Å; F32-L73 HydrophobicContact CE2-CG 4.45Å; F32-L73 HydrophobicContact CG-CD2 4.41Å; F32-L73 HydrophobicContact CZ-CD1 3.91Å; F32-L73 HydrophobicContact CZ-CD2 3.86Å; F32-L77 HydrophobicContact CB-CD1 4.09Å; F32-L77 HydrophobicContact CB-CD2 4.38Å; F32-L77 HydrophobicContact CD1-CD1 3.62Å; F32-L77 HydrophobicContact CE1-CD1 4.24Å; F32-L77 HydrophobicContact CG-CD1 3.91Å; F32-I100 HydrophobicContact CD1-CD1 4.23Å; F32-I100 HydrophobicContact CE1-CD1 3.77Å; F32-I100 HydrophobicContact CE1-CG1 4.03Å; F32-I100 HydrophobicContact CZ-CD1 4.42Å
33F94.8Very high91.9Very high63 Ų6346.5 Ų46.528%0.27625%0.245SC..BIsolated β-bridgetrans-138.4144.8-176.1-61.1-82.4000109.4R35 D38 F39 V40 L77 F82F33-R35 PolarHBondContact O-N 2.99Å; F33-D38 WeakPolarHBondContact CD1-O 3.47Å; F33-F39 WeakPolarHBondContact CA-O 3.35Å; F33-V40 HydrophobicContact CD1-CB 4.06Å; F33-V40 HydrophobicContact CE1-CB 3.88Å; F33-V40 HydrophobicContact CE1-CG2 4.36Å; F33-L77 HydrophobicContact CE1-CD2 4.11Å; F33-L77 HydrophobicContact CE2-CD2 3.77Å; F33-L77 HydrophobicContact CE2-CG 4.06Å; F33-L77 HydrophobicContact CZ-CD2 3.4Å; F33-L77 VanDerWaalsContact CZ-CD2 3.4Å; F33-L77 HydrophobicContact CZ-CG 3.93Å; F33-F82 HydrophobicContact CE1-CE1 4.49Å; F33-F82 AromaticContact CE1-CZ 3.97Å; F33-F82 HydrophobicContact CE1-CZ 3.97Å; F33-F82 HydrophobicContact CZ-CZ 4.32Å
34C94.9Very high91.6Very high0 Ų043.4 Ų43.40%023%0.231CC..  trans-72.3124.4172.4174.60000110.1C18 C21 L25 S36 C37 D38 F39 Q41C18-C34 HydrophobicContact CB-CB 4.23Å; C18-C34 VanDerWaalsContact SG-SG 3.67Å; C21-C34 VanDerWaalsContact SG-SG 3.64Å; L25-C34 HydrophobicContact CD2-CB 3.98Å; C34-S36 PolarHBondContact O-N 3.27Å; C34-S36 PolarHBondContact SG-N 2.64Å; C34-S36 VanDerWaalsContact SG-N 3.43Å; C34-C37 PolarHBondContact O-N 2.76Å; C34-D38 VanDerWaalsContact O-CA 3.28Å; C34-D38 WeakPolarHBondContact O-CA 3.47Å; C34-D38 PolarHBondContact O-N 3.47Å; C34-F39 PolarHBondContact N-O 3.04Å; C34-Q41 HydrophobicContact CB-CG 4.31Å
35R93.8Very high91Very high148 Ų14848.2 Ų48.256%0.55825%0.251SS*.THydrogen-bonded Turntrans-57-22176.267.2-179.272.2-176.18115.8A29 D30 F33A29-R35 VanDerWaalsContact CB-NH2 3.31Å; D30-R35 VanDerWaalsContact CG-NE 3.32Å; D30-R35 VanDerWaalsContact OD1-CB 3.26Å; D30-R35 WeakPolarHBondContact OD1-CB 3.09Å; D30-R35 WeakPolarHBondContact OD1-CG 2.88Å; D30-R35 IonicContact OD1-CZ 3.58Å; D30-R35 PolarHBondContact OD1-N 3.32Å; D30-R35 IonicContact OD1-NE 2.8Å; D30-R35 PolarHBondContact OD1-NE 3.06Å; D30-R35 IonicContact OD1-NH2 3.52Å; D30-R35 IonicContact OD2-CZ 3.27Å; D30-R35 VanDerWaalsContact OD2-CZ 3.27Å; D30-R35 IonicContact OD2-NE 3.04Å; D30-R35 PolarHBondContact OD2-NE 3.42Å; D30-R35 IonicContact OD2-NH2 2.71Å; D30-R35 PolarHBondContact OD2-NH2 2.81Å; F33-R35 PolarHBondContact O-N 2.99Å
36S94.7Very high90.7Very high70 Ų7050.6 Ų50.649%0.4927%0.267SS..THydrogen-bonded Turntrans-96-28.9-173.5-61.40000113.5E23 C34E23-S36 WeakPolarHBondContact CG-OG 3.42Å; C34-S36 PolarHBondContact O-N 3.27Å; C34-S36 PolarHBondContact SG-N 2.64Å; C34-S36 VanDerWaalsContact SG-N 3.43Å
37C95.7Very high90.5Very high30 Ų3048.9 Ų48.920%0.20326%0.258CS..THydrogen-bonded Turntrans-130.2-1.1-178.273.60000114.8C18 C21 C34 F39C18-C37 VanDerWaalsContact SG-SG 3.61Å; C21-C37 HydrophobicContact CB-CB 4.09Å; C21-C37 VanDerWaalsContact SG-SG 3.64Å; C34-C37 PolarHBondContact O-N 2.76Å; C37-F39 HydrophobicContact CB-CD2 4.2Å; C37-F39 VanDerWaalsContact O-CD2 3.31Å; C37-F39 WeakPolarHBondContact O-CD2 3Å; C37-F39 PolarHBondContact O-N 3.17Å
38D93.9Very high91.1Very high126 Ų12649.4 Ų49.467%0.67426%0.261SS*.  trans60.710.6179.9-58.1-44.4000115.6F33 C34F33-D38 WeakPolarHBondContact CD1-O 3.47Å; C34-D38 VanDerWaalsContact O-CA 3.28Å; C34-D38 WeakPolarHBondContact O-CA 3.47Å; C34-D38 PolarHBondContact O-N 3.47Å
39F94.7Very high91.7Very high41 Ų4147.9 Ų47.918%0.1825%0.252CS..PPolyproline II helixtrans-71.2135.8174.6-85.4-111.3000109.9W19 H20 F33 C34 C37 Q41 E89W19-F39 AromaticContact CH2-CD1 3.6Å; W19-F39 HydrophobicContact CH2-CD1 3.6Å; W19-F39 HydrophobicContact CH2-CE1 4.05Å; W19-F39 HydrophobicContact CZ2-CB 4.3Å; W19-F39 AromaticContact CZ2-CD1 3.61Å; W19-F39 HydrophobicContact CZ2-CD1 3.61Å; W19-F39 HydrophobicContact CZ2-CE1 4.48Å; W19-F39 HydrophobicContact CZ2-CG 4.42Å; W19-F39 HydrophobicContact CZ3-CD1 4.46Å; H20-F39 HydrophobicContact CB-CB 4.09Å; H20-F39 HydrophobicContact CB-CD1 4Å; H20-F39 HydrophobicContact CB-CD2 4.31Å; H20-F39 HydrophobicContact CB-CG 3.86Å; H20-F39 AromaticContact CD2-CD1 3.8Å; H20-F39 AromaticContact CD2-CE1 3.47Å; H20-F39 VanDerWaalsContact CD2-CE1 3.47Å; H20-F39 WeakPolarHBondContact CD2-CE1 3.18Å; H20-F39 AromaticContact CD2-CE2 3.78Å; H20-F39 AromaticContact CD2-CZ 3.47Å; H20-F39 VanDerWaalsContact CD2-CZ 3.47Å; H20-F39 WeakPolarHBondContact CD2-CZ 3.4Å; H20-F39 AromaticContact CE1-CD2 3.88Å; H20-F39 AromaticContact CE1-CE2 3.45Å; H20-F39 VanDerWaalsContact CE1-CE2 3.45Å; H20-F39 WeakPolarHBondContact CE1-CE2 3.42Å; H20-F39 AromaticContact CE1-CZ 3.81Å; H20-F39 AromaticContact CG-CD1 3.83Å; H20-F39 AromaticContact CG-CD2 3.73Å; H20-F39 AromaticContact CG-CE1 3.96Å; H20-F39 AromaticContact CG-CE2 3.88Å; H20-F39 AromaticContact CG-CG 3.72Å; H20-F39 AromaticContact CG-CZ 4Å; H20-F39 AromaticContact ND1-CD2 3.6Å; H20-F39 AromaticContact ND1-CE2 3.68Å; H20-F39 AromaticContact NE2-CE1 3.88Å; H20-F39 AromaticContact NE2-CE2 3.52Å; H20-F39 AromaticContact NE2-CZ 3.35Å; H20-F39 VanDerWaalsContact NE2-CZ 3.35Å; H20-F39 WeakPolarHBondContact NE2-CZ 3.26Å; F33-F39 WeakPolarHBondContact CA-O 3.35Å; C34-F39 PolarHBondContact N-O 3.04Å; C37-F39 HydrophobicContact CB-CD2 4.2Å; C37-F39 VanDerWaalsContact O-CD2 3.31Å; C37-F39 WeakPolarHBondContact O-CD2 3Å; C37-F39 PolarHBondContact O-N 3.17Å; F39-Q41 PolarHBondContact O-N 2.74Å; F39-Q41 PolarHBondContact O-NE2 2.98Å; F39-E89 VanDerWaalsContact CD1-CD 3.46Å; F39-E89 HydrophobicContact CD1-CG 3.49Å; F39-E89 VanDerWaalsContact CD1-CG 3.49Å; F39-E89 HydrophobicContact CE1-CG 3.73Å; F39-E89 WeakPolarHBondContact CE1-OE1 3.36Å
40V95.4Very high92.2Very high0 Ų044.9 Ų44.90%023%0.227CC..BIsolated β-bridgetrans-58.5134172.759.90000109.8W19 F32 F33 L77 F82 E89 F92 Q96W19-V40 PolarHBondContact NE1-O 3.18Å; F32-V40 CarbonylContact O-C 3.52Å; F32-V40 VanDerWaalsContact O-CA 3.29Å; F32-V40 WeakPolarHBondContact O-CA 3.31Å; F33-V40 HydrophobicContact CD1-CB 4.06Å; F33-V40 HydrophobicContact CE1-CB 3.88Å; F33-V40 HydrophobicContact CE1-CG2 4.36Å; V40-L77 HydrophobicContact CG2-CD2 3.68Å; V40-F82 HydrophobicContact CB-CE1 3.92Å; V40-F82 HydrophobicContact CB-CZ 4.17Å; V40-F82 HydrophobicContact CG1-CD1 4.17Å; V40-F82 HydrophobicContact CG1-CE1 3.68Å; V40-F82 HydrophobicContact CG1-CZ 4.33Å; V40-E89 HydrophobicContact CG1-CB 4.06Å; V40-E89 HydrophobicContact CG1-CG 4.23Å; V40-E89 VanDerWaalsContact CG1-O 3.31Å; V40-E89 WeakPolarHBondContact CG1-O 3.49Å; V40-F92 HydrophobicContact CG1-CB 4.14Å; V40-F92 HydrophobicContact CG2-CB 4.41Å; V40-Q96 HydrophobicContact CG2-CG 4.24Å
41Q94.7Very high92.3Very high3 Ų345 Ų451%0.01423%0.228CC..PPolyproline II helixtrans-102.7151.4179.3-60-54.1-61.100110.1C18 L25 F32 C34 F39 Q96C18-Q41 PolarHBondContact SG-NE2 2.99Å; C18-Q41 VanDerWaalsContact SG-NE2 3.44Å; L25-Q41 HydrophobicContact CD1-CB 4.47Å; L25-Q41 HydrophobicContact CD1-CG 3.81Å; F32-Q41 PolarHBondContact O-N 3.29Å; C34-Q41 HydrophobicContact CB-CG 4.31Å; F39-Q41 PolarHBondContact O-N 2.74Å; F39-Q41 PolarHBondContact O-NE2 2.98Å; Q41-Q96 VanDerWaalsContact O-CG 3.31Å; Q41-Q96 WeakPolarHBondContact O-CG 3.34Å; Q41-Q96 PolarHBondContact O-NE2 3.41Å
42P93Very high92.4Very high36 Ų3643.4 Ų43.423%0.23422%0.222CC..PPolyproline II helixtrans-62.1154.3170.927-34.4000110.9L44 F92P42-L44 PolarHBondContact O-N 3.34Å; P42-F92 HydrophobicContact CB-CD1 3.76Å; P42-F92 HydrophobicContact CB-CE1 3.81Å; P42-F92 HydrophobicContact CB-CG 4.28Å; P42-F92 HydrophobicContact CB-CZ 4.34Å; P42-F92 HydrophobicContact CG-CD1 4.47Å; P42-F92 HydrophobicContact CG-CE1 4.24Å; P42-F92 HydrophobicContact CG-CZ 4.27Å
43P91Very high92.4Very high37 Ų3742.5 Ų42.524%0.2422%0.219CC..PPolyproline II helixtrans-57.3133.6172.7-21.231.9000111.5E95 Q96 K99P43-E95 HydrophobicContact CG-CB 4.1Å; P43-Q96 HydrophobicContact CG-CG 4.08Å; P43-K99 HydrophobicContact CB-CB 4.45Å; P43-K99 HydrophobicContact CB-CG 4.19Å; P43-K99 HydrophobicContact CG-CB 4.19Å; P43-K99 HydrophobicContact CG-CG 4.47Å
44L87.1Confident92.4Very high27 Ų2743.5 Ų43.514%0.14123%0.227CC..PPolyproline II helixtrans-97.5138.4177.4-57.5173.7000110.8A16 C27 P42 C46 N47A16-L44 HydrophobicContact CB-CD2 3.82Å; C27-L44 HydrophobicContact CB-CD1 3.71Å; P42-L44 PolarHBondContact O-N 3.34Å; L44-C46 PolarHBondContact O-N 2.77Å; L44-N47 PolarHBondContact O-N 3.14Å; L44-N47 VanDerWaalsContact O-N 3.17Å
45E80.4Confident92.5Very high201 Ų20144.1 Ų44.194%0.93923%0.23SC*.THydrogen-bonded Turntrans-64.8-27-177.5-65-172.8163.600113.9N47E45-N47 PolarHBondContact O-N 3.41Å
46C82.9Confident92.6Very high52 Ų5240.8 Ų40.835%0.35123%0.227SC..THydrogen-bonded Turntrans-70.5-8.8177.847.80000113.7C27 L44C27-C46 HydrophobicContact CB-CB 4.41Å; C27-C46 WeakPolarHBondContact CB-SG 3.41Å; L44-C46 PolarHBondContact O-N 2.77Å
47N85.5Confident92.6Very high8 Ų843.6 Ų43.64%0.04323%0.231CC..  trans-93.2117175.1-60.3128.9000111.4C27 L44 E45 F52C27-N47 PolarHBondContact O-ND2 2.95Å; C27-N47 PolarHBondContact O-OD1 2.83Å; L44-N47 PolarHBondContact O-N 3.14Å; L44-N47 VanDerWaalsContact O-N 3.17Å; E45-N47 PolarHBondContact O-N 3.41Å; N47-F52 HydrophobicContact CB-CD1 3.93Å; N47-F52 HydrophobicContact CB-CE1 3.34Å; N47-F52 HydrophobicContact CB-CZ 4.02Å
48D93Very high92.7Very high13 Ų1345.1 Ų45.17%0.0724%0.239CC..  trans-79.7168.9164.363.877.3000111.9F50 A51 F52 K57 Y116 L120D48-F50 VanDerWaalsContact C-N 3.26Å; D48-F50 PolarHBondContact O-N 3.45Å; D48-F50 WeakPolarHBondContact OD1-CA 3.43Å; D48-F50 VanDerWaalsContact OD1-CB 3.28Å; D48-F50 WeakPolarHBondContact OD1-CB 3.44Å; D48-F50 PolarHBondContact OD1-N 2.83Å; D48-A51 WeakPolarHBondContact O-CB 3.34Å; D48-A51 PolarHBondContact O-N 2.71Å; D48-A51 VanDerWaalsContact O-N 3.16Å; D48-A51 PolarHBondContact OD1-N 2.87Å; D48-F52 PolarHBondContact O-N 2.6Å; D48-K57 WeakPolarHBondContact OD2-CE 3.37Å; D48-K57 IonicContact OD2-NZ 2.64Å; D48-K57 PolarHBondContact OD2-NZ 3.03Å; D48-Y116 VanDerWaalsContact CA-OH 3.26Å; D48-Y116 WeakPolarHBondContact CA-OH 3.29Å; D48-Y116 VanDerWaalsContact CB-OH 3.23Å; D48-Y116 WeakPolarHBondContact CB-OH 3.34Å; D48-L120 HydrophobicContact CB-CD1 4.18Å; D48-L120 HydrophobicContact CB-CD2 3.99Å
49Y96.6Very high92.9Very high29 Ų2939.6 Ų39.611%0.11421%0.209CC..Hα-helixtrans-64.9-28.3-175.8-64.3-13000113F52 F53 K99 A103 T106 L107 Y116Y49-F52 HydrophobicContact CD1-CD2 4.22Å; Y49-F52 AromaticContact CD1-CE2 3.96Å; Y49-F52 HydrophobicContact CD1-CE2 3.96Å; Y49-F52 HydrophobicContact CE1-CE2 4.33Å; Y49-F53 WeakPolarHBondContact O-CD2 3.49Å; Y49-K99 HydrophobicContact CE1-CD 4.19Å; Y49-K99 PolarHBondContact OH-NZ 2.89Å; Y49-A103 HydrophobicContact CD1-CB 3.46Å; Y49-A103 VanDerWaalsContact CD1-CB 3.46Å; Y49-A103 HydrophobicContact CD2-CB 4.07Å; Y49-A103 HydrophobicContact CE1-CB 4.02Å; Y49-A103 HydrophobicContact CG-CB 3.47Å; Y49-A103 VanDerWaalsContact CG-CB 3.47Å; Y49-T106 HydrophobicContact CD2-CG2 3.79Å; Y49-T106 HydrophobicContact CE2-CG2 3.92Å; Y49-L107 WeakPolarHBondContact O-CD1 3.44Å; Y49-Y116 HydrophobicContact CD1-CE2 4.49Å; Y49-Y116 AromaticContact CD2-CD1 3.99Å; Y49-Y116 HydrophobicContact CD2-CD1 3.99Å; Y49-Y116 AromaticContact CD2-CD2 3.87Å; Y49-Y116 HydrophobicContact CD2-CD2 3.87Å; Y49-Y116 AromaticContact CD2-CE1 3.71Å; Y49-Y116 HydrophobicContact CD2-CE1 3.71Å; Y49-Y116 AromaticContact CD2-CE2 3.58Å; Y49-Y116 HydrophobicContact CD2-CE2 3.58Å; Y49-Y116 HydrophobicContact CD2-CG 4.06Å; Y49-Y116 AromaticContact CD2-CZ 3.49Å; Y49-Y116 VanDerWaalsContact CD2-CZ 3.49Å; Y49-Y116 HydrophobicContact CE2-CD2 4Å; Y49-Y116 AromaticContact CE2-CE2 3.78Å; Y49-Y116 HydrophobicContact CE2-CE2 3.78Å; Y49-Y116 HydrophobicContact CG-CD1 4.45Å; Y49-Y116 AromaticContact CG-CE1 3.74Å; Y49-Y116 HydrophobicContact CG-CE1 3.74Å; Y49-Y116 HydrophobicContact CG-CE2 4Å; Y49-Y116 AromaticContact CG-CZ 3.48Å; Y49-Y116 VanDerWaalsContact CG-CZ 3.48Å; Y49-Y116 PolarHBondContact N-OH 3.31Å
50F96.9Very high93Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-71.3-40.7176.3-59.3-93.4000110.3D48 F52 F53 D54 L55 P56 K57 T58 I61 L107 R113 Y116 M117 L120D48-F50 VanDerWaalsContact C-N 3.26Å; D48-F50 PolarHBondContact O-N 3.45Å; D48-F50 WeakPolarHBondContact OD1-CA 3.43Å; D48-F50 VanDerWaalsContact OD1-CB 3.28Å; D48-F50 WeakPolarHBondContact OD1-CB 3.44Å; D48-F50 PolarHBondContact OD1-N 2.83Å; F50-F52 VanDerWaalsContact C-N 3.28Å; F50-F52 PolarHBondContact O-N 2.75Å; F50-F53 PolarHBondContact O-N 3.08Å; F50-F53 VanDerWaalsContact O-N 3.11Å; F50-D54 PolarHBondContact O-N 3.35Å; F50-L55 HydrophobicContact CB-CB 4.35Å; F50-L55 HydrophobicContact CD1-CB 4.38Å; F50-L55 PolarHBondContact O-N 3.39Å; F50-P56 WeakPolarHBondContact CD1-O 3.32Å; F50-K57 HydrophobicContact CB-CG 4.05Å; F50-K57 HydrophobicContact CD2-CG 4.24Å; F50-K57 HydrophobicContact CG-CG 4.22Å; F50-T58 WeakPolarHBondContact CE1-O 3.38Å; F50-I61 HydrophobicContact CD1-CG2 4.27Å; F50-I61 HydrophobicContact CE1-CG2 3.91Å; F50-L107 HydrophobicContact CD1-CD1 4.19Å; F50-L107 HydrophobicContact CD1-CD2 4.08Å; F50-L107 HydrophobicContact CD2-CD2 4.2Å; F50-L107 HydrophobicContact CE1-CD2 3.66Å; F50-L107 HydrophobicContact CE2-CD2 3.78Å; F50-L107 HydrophobicContact CG-CD1 4.35Å; F50-L107 HydrophobicContact CG-CD2 4.33Å; F50-L107 HydrophobicContact CZ-CD2 3.49Å; F50-L107 VanDerWaalsContact CZ-CD2 3.49Å; F50-R113 HydrophobicContact CZ-CG 4.19Å; F50-Y116 HydrophobicContact CD2-CD1 4.49Å; F50-Y116 HydrophobicContact CD2-CE1 4.03Å; F50-Y116 AromaticContact CE2-CD1 3.84Å; F50-Y116 HydrophobicContact CE2-CD1 3.84Å; F50-Y116 AromaticContact CE2-CE1 3.82Å; F50-Y116 HydrophobicContact CE2-CE1 3.82Å; F50-M117 HydrophobicContact CE2-CG 3.9Å; F50-M117 HydrophobicContact CZ-CG 3.6Å; F50-M117 HydrophobicContact CZ-SD 3.93Å; F50-L120 HydrophobicContact CD2-CD1 4.28Å; F50-L120 HydrophobicContact CE2-CD1 4.1Å
51A93.5Very high93.1Very high7 Ų742.9 Ų42.96%0.05823%0.229CC..Hα-helixtrans-61.1-32.8177.800000113M28 R31 D48 F53 D54M28-A51 HydrophobicContact CE-CB 4.14Å; M28-A51 HydrophobicContact SD-CB 4.32Å; R31-A51 PolarHBondContact NH1-O 3.24Å; D48-A51 WeakPolarHBondContact O-CB 3.34Å; D48-A51 PolarHBondContact O-N 2.71Å; D48-A51 VanDerWaalsContact O-N 3.16Å; D48-A51 PolarHBondContact OD1-N 2.87Å; A51-F53 VanDerWaalsContact C-N 3.25Å; A51-F53 PolarHBondContact O-N 2.9Å; A51-D54 PolarHBondContact O-N 3.41Å
52F93.2Very high93.3Very high2 Ų247.1 Ų47.11%0.00925%0.252CS..Hα-helixtrans-60.9-34.5174.8-70.6-24.3000113.4F32 N47 D48 Y49 F50 L73 K99 A103F32-F52 AromaticContact CE1-CD1 3.95Å; F32-F52 HydrophobicContact CE1-CD1 3.95Å; F32-F52 HydrophobicContact CE1-CE1 4.41Å; F32-F52 HydrophobicContact CE1-CG 4.39Å; F32-F52 HydrophobicContact CZ-CB 3.99Å; F32-F52 AromaticContact CZ-CD1 3.82Å; F32-F52 HydrophobicContact CZ-CD1 3.82Å; F32-F52 HydrophobicContact CZ-CG 4.12Å; N47-F52 HydrophobicContact CB-CD1 3.93Å; N47-F52 HydrophobicContact CB-CE1 3.34Å; N47-F52 HydrophobicContact CB-CZ 4.02Å; D48-F52 PolarHBondContact O-N 2.6Å; Y49-F52 HydrophobicContact CD1-CD2 4.22Å; Y49-F52 AromaticContact CD1-CE2 3.96Å; Y49-F52 HydrophobicContact CD1-CE2 3.96Å; Y49-F52 HydrophobicContact CE1-CE2 4.33Å; F50-F52 VanDerWaalsContact C-N 3.28Å; F50-F52 PolarHBondContact O-N 2.75Å; F52-L73 VanDerWaalsContact O-CD1 3.31Å; F52-L73 WeakPolarHBondContact O-CD1 3.23Å; F52-K99 HydrophobicContact CE2-CD 4.39Å; F52-K99 HydrophobicContact CE2-CG 3.57Å; F52-K99 HydrophobicContact CZ-CG 3.75Å; F52-A103 HydrophobicContact CD2-CB 3.67Å; F52-A103 HydrophobicContact CE2-CB 4.23Å
53F95.8Very high93.5Very high0 Ų048.3 Ų48.30%026%0.255CS..THydrogen-bonded Turntrans-103.49.5-175.8-56-66.3000113.4Y49 F50 A51 L55 L66 R69 F70 L73 I100 A103 L107Y49-F53 WeakPolarHBondContact O-CD2 3.49Å; F50-F53 PolarHBondContact O-N 3.08Å; F50-F53 VanDerWaalsContact O-N 3.11Å; A51-F53 VanDerWaalsContact C-N 3.25Å; A51-F53 PolarHBondContact O-N 2.9Å; F53-L55 HydrophobicContact CB-CD1 3.8Å; F53-L55 HydrophobicContact CB-CG 3.86Å; F53-L55 PolarHBondContact O-N 3.21Å; F53-L66 HydrophobicContact CB-CD1 4.12Å; F53-L66 HydrophobicContact CD1-CD1 4.12Å; F53-L66 HydrophobicContact CD2-CD1 3.39Å; F53-L66 HydrophobicContact CE1-CD1 4.43Å; F53-L66 HydrophobicContact CE2-CD1 3.74Å; F53-L66 HydrophobicContact CG-CD1 3.6Å; F53-L66 HydrophobicContact CZ-CD1 4.26Å; F53-R69 HydrophobicContact CB-CB 4.12Å; F53-R69 HydrophobicContact CD1-CB 4.01Å; F53-R69 WeakPolarHBondContact O-CG 3.26Å; F53-F70 HydrophobicContact CD1-CB 4.48Å; F53-F70 HydrophobicContact CE1-CB 3.93Å; F53-F70 HydrophobicContact CE1-CD2 4.15Å; F53-F70 HydrophobicContact CZ-CD2 4.36Å; F53-L73 HydrophobicContact CD1-CD1 3.75Å; F53-L73 HydrophobicContact CE1-CD1 3.86Å; F53-I100 HydrophobicContact CE1-CG2 4.03Å; F53-I100 HydrophobicContact CZ-CG2 4.16Å; F53-A103 HydrophobicContact CE2-CB 3.62Å; F53-A103 HydrophobicContact CZ-CB 3.96Å; F53-L107 HydrophobicContact CD2-CD1 3.83Å; F53-L107 HydrophobicContact CE2-CD1 4.12Å
54D94Very high93.8Very high83 Ų8352.9 Ų52.944%0.44427%0.274SS..THydrogen-bonded Turntrans52.842.7-173.8-60.9-54.6000112.3R31 F50 A51R31-D54 IonicContact CZ-OD1 3.14Å; R31-D54 IonicContact NH1-OD1 2.77Å; R31-D54 PolarHBondContact NH1-OD1 3.16Å; R31-D54 IonicContact NH2-OD1 3.98Å; R31-D54 PolarHBondContact NH2-OD1 3.03Å; R31-D54 IonicContact NH2-OD2 2.6Å; R31-D54 PolarHBondContact NH2-OD2 3.25Å; F50-D54 PolarHBondContact O-N 3.35Å; A51-D54 PolarHBondContact O-N 3.41Å
55L96.4Very high94.4Very high14 Ų1454.5 Ų54.57%0.07328%0.282CS..  trans-102.2148.5179.4-67.6174.2000111.3F50 F53 I61 L65 L66F50-L55 HydrophobicContact CB-CB 4.35Å; F50-L55 HydrophobicContact CD1-CB 4.38Å; F50-L55 PolarHBondContact O-N 3.39Å; F53-L55 HydrophobicContact CB-CD1 3.8Å; F53-L55 HydrophobicContact CB-CG 3.86Å; F53-L55 PolarHBondContact O-N 3.21Å; L55-I61 HydrophobicContact CD1-CD1 4.25Å; L55-L65 HydrophobicContact CD2-CB 4.44Å; L55-L65 HydrophobicContact CD2-CD2 3.75Å; L55-L65 HydrophobicContact CD2-CG 4.02Å; L55-L66 HydrophobicContact CD1-CB 4Å; L55-L66 HydrophobicContact CD1-CD1 3.77Å; L55-L66 HydrophobicContact CD1-CG 4.4Å
56P95.5Very high95.2Very high77 Ų7744.9 Ų44.950%0.524%0.237SC..  trans-63.6147.6168.329-34.6000110.4F50 T58F50-P56 WeakPolarHBondContact CD1-O 3.32Å; P56-T58 HydrophobicContact CB-CG2 4.27Å; P56-T58 PolarHBondContact O-N 3.44Å
57K95.5Very high96Very high130 Ų13047.6 Ų47.657%0.56524%0.24SC*.SBendtrans-78.753.3177.8-60.8-178.5-172.2-170.20111.8D48 F50D48-K57 WeakPolarHBondContact OD2-CE 3.37Å; D48-K57 IonicContact OD2-NZ 2.64Å; D48-K57 PolarHBondContact OD2-NZ 3.03Å; F50-K57 HydrophobicContact CB-CG 4.05Å; F50-K57 HydrophobicContact CD2-CG 4.24Å; F50-K57 HydrophobicContact CG-CG 4.22Å
58T97.4Very high96.6Very high62 Ų6250.5 Ų50.538%0.3826%0.256SS..  trans-111.3159.2-179.951.90000110.4F50 P56 D60 I61F50-T58 WeakPolarHBondContact CE1-O 3.38Å; P56-T58 HydrophobicContact CB-CG2 4.27Å; P56-T58 PolarHBondContact O-N 3.44Å; T58-D60 PolarHBondContact OG1-O 2.97Å; T58-I61 VanDerWaalsContact O-CG2 3.25Å; T58-I61 WeakPolarHBondContact O-CG2 3.38Å
59F98.3Very high96.8Very high9 Ų955.2 Ų55.24%0.03927%0.273CS..SBendtrans-72.6-46.3176.5179.8-101.7000111.5I61 P110 R113 A114 M117 E179 L182 E183 F186F59-I61 PolarHBondContact O-N 3.41Å; F59-P110 HydrophobicContact CE2-CB 4.43Å; F59-P110 WeakPolarHBondContact CE2-O 3.49Å; F59-P110 HydrophobicContact CZ-CB 3.82Å; F59-R113 WeakPolarHBondContact O-CD 3.37Å; F59-R113 PolarHBondContact O-NH1 3.32Å; F59-A114 HydrophobicContact CD2-CB 4.3Å; F59-A114 HydrophobicContact CE2-CB 3.78Å; F59-M117 VanDerWaalsContact CA-SD 3.55Å; F59-M117 HydrophobicContact CB-CE 4.14Å; F59-M117 HydrophobicContact CB-SD 3.91Å; F59-M117 HydrophobicContact CD2-SD 4.01Å; F59-M117 HydrophobicContact CG-SD 4.49Å; F59-E179 HydrophobicContact CE1-CB 4.03Å; F59-E179 HydrophobicContact CE1-CG 4.43Å; F59-E179 VanDerWaalsContact CE1-O 3.29Å; F59-E179 WeakPolarHBondContact CE1-O 2.86Å; F59-E179 HydrophobicContact CZ-CB 4.47Å; F59-E179 HydrophobicContact CZ-CG 4.41Å; F59-L182 HydrophobicContact CD1-CB 4.01Å; F59-L182 HydrophobicContact CD2-CB 4.24Å; F59-L182 HydrophobicContact CE1-CB 3.73Å; F59-L182 HydrophobicContact CE1-CD1 4.39Å; F59-L182 HydrophobicContact CE2-CB 4Å; F59-L182 HydrophobicContact CE2-CD1 3.94Å; F59-L182 HydrophobicContact CG-CB 4.23Å; F59-L182 HydrophobicContact CZ-CB 3.7Å; F59-L182 HydrophobicContact CZ-CD1 3.62Å; F59-L182 HydrophobicContact CZ-CG 4.3Å; F59-E183 HydrophobicContact CD1-CB 3.97Å; F59-F186 HydrophobicContact CB-CB 4.32Å; F59-F186 HydrophobicContact CB-CD2 3.74Å; F59-F186 HydrophobicContact CB-CG 4.37Å; F59-F186 AromaticContact CD2-CD2 3.85Å; F59-F186 HydrophobicContact CD2-CD2 3.85Å; F59-F186 AromaticContact CD2-CE2 3.82Å; F59-F186 HydrophobicContact CD2-CE2 3.82Å; F59-F186 HydrophobicContact CE2-CE2 4.47Å; F59-F186 AromaticContact CG-CD2 3.95Å; F59-F186 HydrophobicContact CG-CD2 3.95Å; F59-F186 HydrophobicContact CG-CE2 4.38Å
60D96.8Very high96.9Very high102 Ų10255.2 Ų55.255%0.54527%0.273SS..SBendtrans-77.1117.6170-172.329000109.3T58 E183T58-D60 PolarHBondContact OG1-O 2.97Å; D60-E183 HydrophobicContact CB-CG 4.23Å
61I97.7Very high96.9Very high9 Ų963.1 Ų63.15%0.04630%0.303CS..  trans-129.3149.1-179.462.9173.1000109.4F50 L55 T58 F59 L63 L66 L107F50-I61 HydrophobicContact CD1-CG2 4.27Å; F50-I61 HydrophobicContact CE1-CG2 3.91Å; L55-I61 HydrophobicContact CD1-CD1 4.25Å; T58-I61 VanDerWaalsContact O-CG2 3.25Å; T58-I61 WeakPolarHBondContact O-CG2 3.38Å; F59-I61 PolarHBondContact O-N 3.41Å; I61-L63 HydrophobicContact CD1-CD2 4.27Å; I61-L63 HydrophobicContact CG1-CD2 4.15Å; I61-L63 PolarHBondContact O-N 2.99Å; I61-L66 HydrophobicContact CD1-CD2 3.96Å; I61-L107 HydrophobicContact CD1-CB 4.11Å
62N97.9Very high97Very high92 Ų9266.4 Ų66.449%0.49233%0.325SS..  trans-70.4101.1172.9-175.7-27.7000110.3E64 L65 L66N62-E64 VanDerWaalsContact C-N 3.28Å; N62-E64 PolarHBondContact O-N 3.2Å; N62-E64 WeakPolarHBondContact OD1-CA 3.25Å; N62-E64 WeakPolarHBondContact OD1-CB 3.2Å; N62-E64 PolarHBondContact OD1-N 2.91Å; N62-L65 HydrophobicContact CB-CB 3.84Å; N62-L65 PolarHBondContact O-N 3.4Å; N62-L65 PolarHBondContact OD1-N 2.89Å; N62-L66 PolarHBondContact O-N 3.09Å
63L97.9Very high97.1Very high60 Ų6067.4 Ų67.431%0.31433%0.331SS..Hα-helixtrans-65.3-28.2-179.7-70.9-177.8000113.8I61 L66 R67 L108I61-L63 HydrophobicContact CD1-CD2 4.27Å; I61-L63 HydrophobicContact CG1-CD2 4.15Å; I61-L63 PolarHBondContact O-N 2.99Å; L63-L66 HydrophobicContact CD2-CD2 4.11Å; L63-R67 WeakPolarHBondContact O-CB 3.28Å; L63-R67 WeakPolarHBondContact O-CD 3.43Å; L63-R67 VanDerWaalsContact O-CG 3.24Å; L63-R67 WeakPolarHBondContact O-CG 3.31Å; L63-R67 PolarHBondContact O-N 3.29Å; L63-R67 VanDerWaalsContact O-N 3.08Å; L63-L108 HydrophobicContact CD2-CD1 4.4Å
64E98.2Very high97.1Very high133 Ų13369.2 Ų69.262%0.62134%0.339SS*.Hα-helixtrans-70.5-44.8174.7-173.9178.1178.600110.5N62 L66 R67 N68N62-E64 VanDerWaalsContact C-N 3.28Å; N62-E64 PolarHBondContact O-N 3.2Å; N62-E64 WeakPolarHBondContact OD1-CA 3.25Å; N62-E64 WeakPolarHBondContact OD1-CB 3.2Å; N62-E64 PolarHBondContact OD1-N 2.91Å; E64-L66 PolarHBondContact O-N 3.33Å; E64-R67 PolarHBondContact O-N 3.3Å; E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 VanDerWaalsContact O-CG 3.28Å; E64-N68 PolarHBondContact O-N 3.16Å; E64-N68 PolarHBondContact O-ND2 2.96Å
65L98.2Very high97.1Very high61 Ų6172.4 Ų72.432%0.31935%0.349SS..Hα-helixtrans-60.5-45.8174-176.659.6000111.1L55 N62 R67 N68 R69L55-L65 HydrophobicContact CD2-CB 4.44Å; L55-L65 HydrophobicContact CD2-CD2 3.75Å; L55-L65 HydrophobicContact CD2-CG 4.02Å; N62-L65 HydrophobicContact CB-CB 3.84Å; N62-L65 PolarHBondContact O-N 3.4Å; N62-L65 PolarHBondContact OD1-N 2.89Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.02Å; L65-N68 PolarHBondContact O-N 3.21Å; L65-R69 HydrophobicContact CD1-CG 4.03Å; L65-R69 HydrophobicContact CG-CG 4.29Å; L65-R69 WeakPolarHBondContact O-CB 3.4Å; L65-R69 VanDerWaalsContact O-CG 3.24Å; L65-R69 WeakPolarHBondContact O-CG 3.14Å; L65-R69 PolarHBondContact O-N 3.11Å
66L98.6Very high96.9Very high0 Ų073.5 Ų73.50%036%0.358CS..Hα-helixtrans-53.4-50.3174.3174.562.6000111.4F53 L55 I61 N62 L63 E64 N68 R69 F70 Y104 L107F53-L66 HydrophobicContact CB-CD1 4.12Å; F53-L66 HydrophobicContact CD1-CD1 4.12Å; F53-L66 HydrophobicContact CD2-CD1 3.39Å; F53-L66 HydrophobicContact CE1-CD1 4.43Å; F53-L66 HydrophobicContact CE2-CD1 3.74Å; F53-L66 HydrophobicContact CG-CD1 3.6Å; F53-L66 HydrophobicContact CZ-CD1 4.26Å; L55-L66 HydrophobicContact CD1-CB 4Å; L55-L66 HydrophobicContact CD1-CD1 3.77Å; L55-L66 HydrophobicContact CD1-CG 4.4Å; I61-L66 HydrophobicContact CD1-CD2 3.96Å; N62-L66 PolarHBondContact O-N 3.09Å; L63-L66 HydrophobicContact CD2-CD2 4.11Å; E64-L66 PolarHBondContact O-N 3.33Å; L66-N68 PolarHBondContact O-N 2.95Å; L66-R69 PolarHBondContact O-N 2.9Å; L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 PolarHBondContact O-N 3.27Å; L66-Y104 HydrophobicContact CD1-CD2 4.11Å; L66-Y104 HydrophobicContact CD2-CD2 4.24Å; L66-Y104 HydrophobicContact CD2-CE2 4.36Å; L66-Y104 HydrophobicContact CG-CD2 3.88Å; L66-Y104 HydrophobicContact CG-CE2 4.08Å; L66-L107 HydrophobicContact CD1-CB 4.42Å; L66-L107 HydrophobicContact CD1-CD1 4.36Å; L66-L107 HydrophobicContact CD2-CB 3.96Å
67R98.5Very high96.7Very high109 Ų10969.9 Ų69.941%0.41133%0.334SS..Hα-helixtrans-62.1-41.8179.6-75.8168.2177.3152.10.2112.5L63 E64 L65 R71 Y104L63-R67 WeakPolarHBondContact O-CB 3.28Å; L63-R67 WeakPolarHBondContact O-CD 3.43Å; L63-R67 VanDerWaalsContact O-CG 3.24Å; L63-R67 WeakPolarHBondContact O-CG 3.31Å; L63-R67 PolarHBondContact O-N 3.29Å; L63-R67 VanDerWaalsContact O-N 3.08Å; E64-R67 PolarHBondContact O-N 3.3Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.02Å; R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.25Å; R67-R71 PolarHBondContact O-N 3.1Å; R67-Y104 HydrophobicContact CG-CE2 4.02Å
68N98.2Very high96.3Very high68 Ų6867.1 Ų67.136%0.36432%0.323SS..Hα-helixtrans-66.3-46.5179.4-70.8-21.3000111.1E64 L65 L66 R71 S72E64-N68 WeakPolarHBondContact O-CB 3.38Å; E64-N68 VanDerWaalsContact O-CG 3.28Å; E64-N68 PolarHBondContact O-N 3.16Å; E64-N68 PolarHBondContact O-ND2 2.96Å; L65-N68 PolarHBondContact O-N 3.21Å; L66-N68 PolarHBondContact O-N 2.95Å; N68-R71 PolarHBondContact O-N 3.06Å; N68-S72 PolarHBondContact O-N 2.97Å; N68-S72 PolarHBondContact O-OG 2.81Å
69R97.6Very high95.6Very high113 Ų11365.5 Ų65.543%0.42631%0.314SS..Hα-helixtrans-62.4-43.4176.4-66.1-69.9-175-166.81.5111.9F53 L65 L66 R71 S72 L73F53-R69 HydrophobicContact CB-CB 4.12Å; F53-R69 HydrophobicContact CD1-CB 4.01Å; F53-R69 WeakPolarHBondContact O-CG 3.26Å; L65-R69 HydrophobicContact CD1-CG 4.03Å; L65-R69 HydrophobicContact CG-CG 4.29Å; L65-R69 WeakPolarHBondContact O-CB 3.4Å; L65-R69 VanDerWaalsContact O-CG 3.24Å; L65-R69 WeakPolarHBondContact O-CG 3.14Å; L65-R69 PolarHBondContact O-N 3.11Å; L66-R69 PolarHBondContact O-N 2.9Å; R69-R71 PolarHBondContact O-N 3.42Å; R69-S72 PolarHBondContact O-N 3Å; R69-L73 WeakPolarHBondContact O-CB 3.5Å; R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 3.34Å
70F97.9Very high95.1Very high29 Ų2970.3 Ų70.313%0.12734%0.34CS..Hα-helixtrans-56.9-48.5174.2173.6-111.4000112.3F53 L66 S72 L73 Q74 I100 N101 Y104F53-F70 HydrophobicContact CD1-CB 4.48Å; F53-F70 HydrophobicContact CE1-CB 3.93Å; F53-F70 HydrophobicContact CE1-CD2 4.15Å; F53-F70 HydrophobicContact CZ-CD2 4.36Å; L66-F70 VanDerWaalsContact O-CB 3.27Å; L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 PolarHBondContact O-N 3.27Å; F70-S72 PolarHBondContact O-N 3.38Å; F70-L73 PolarHBondContact O-N 3.4Å; F70-Q74 HydrophobicContact CD2-CG 4.01Å; F70-Q74 HydrophobicContact CE1-CG 4.12Å; F70-Q74 HydrophobicContact CE2-CG 3.54Å; F70-Q74 HydrophobicContact CZ-CG 3.59Å; F70-Q74 VanDerWaalsContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CG 3.36Å; F70-Q74 PolarHBondContact O-N 2.89Å; F70-I100 HydrophobicContact CD2-CG2 3.62Å; F70-I100 HydrophobicContact CE2-CG2 3.81Å; F70-N101 VanDerWaalsContact CE2-OD1 3.27Å; F70-N101 WeakPolarHBondContact CE2-OD1 3.35Å; F70-N101 VanDerWaalsContact CZ-OD1 3.31Å; F70-N101 WeakPolarHBondContact CZ-OD1 3.46Å; F70-Y104 HydrophobicContact CB-CD2 3.54Å; F70-Y104 HydrophobicContact CB-CE2 3.99Å; F70-Y104 HydrophobicContact CB-CG 4.09Å; F70-Y104 AromaticContact CD1-CD1 3.95Å; F70-Y104 HydrophobicContact CD1-CD1 3.95Å; F70-Y104 AromaticContact CD1-CD2 3.85Å; F70-Y104 HydrophobicContact CD1-CD2 3.85Å; F70-Y104 HydrophobicContact CD1-CE1 4.01Å; F70-Y104 AromaticContact CD1-CE2 3.93Å; F70-Y104 HydrophobicContact CD1-CE2 3.93Å; F70-Y104 AromaticContact CD1-CG 3.86Å; F70-Y104 HydrophobicContact CD1-CG 3.86Å; F70-Y104 AromaticContact CD1-CZ 4Å; F70-Y104 HydrophobicContact CD2-CD1 4.13Å; F70-Y104 AromaticContact CD2-CD2 3.92Å; F70-Y104 HydrophobicContact CD2-CD2 3.92Å; F70-Y104 AromaticContact CD2-CG 3.54Å; F70-Y104 HydrophobicContact CD2-CG 3.54Å; F70-Y104 AromaticContact CE1-CD1 3.82Å; F70-Y104 HydrophobicContact CE1-CD1 3.82Å; F70-Y104 AromaticContact CE1-CE1 3.93Å; F70-Y104 HydrophobicContact CE1-CE1 3.93Å; F70-Y104 HydrophobicContact CE1-CG 4.14Å; F70-Y104 AromaticContact CE2-CD1 4Å; F70-Y104 HydrophobicContact CE2-CD1 4Å; F70-Y104 AromaticContact CE2-CG 3.83Å; F70-Y104 HydrophobicContact CE2-CG 3.83Å; F70-Y104 HydrophobicContact CG-CD1 4.1Å; F70-Y104 AromaticContact CG-CD2 3.49Å; F70-Y104 HydrophobicContact CG-CD2 3.49Å; F70-Y104 VanDerWaalsContact CG-CD2 3.49Å; F70-Y104 AromaticContact CG-CE2 3.99Å; F70-Y104 HydrophobicContact CG-CE2 3.99Å; F70-Y104 AromaticContact CG-CG 3.54Å; F70-Y104 HydrophobicContact CG-CG 3.54Å; F70-Y104 AromaticContact CZ-CD1 3.84Å; F70-Y104 HydrophobicContact CZ-CD1 3.84Å; F70-Y104 HydrophobicContact CZ-CE1 4.38Å; F70-Y104 HydrophobicContact CZ-CG 4.12Å
71R97Very high94.8Very high166 Ų16670 Ų7063%0.62633%0.334SS*.Hα-helixtrans-61.1-43.3177.1-73172.2-176.7165.7-1.3112.4R67 N68 R69 F75R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.25Å; R67-R71 PolarHBondContact O-N 3.1Å; N68-R71 PolarHBondContact O-N 3.06Å; R69-R71 PolarHBondContact O-N 3.42Å; R71-F75 WeakPolarHBondContact O-CB 3.3Å; R71-F75 PolarHBondContact O-N 2.75Å
72S96.3Very high94.5Very high75 Ų7570.4 Ų70.452%0.52434%0.335SS..Hα-helixtrans-62.1-45.3177.3-64.40000112N68 R69 F70 F75 S76N68-S72 PolarHBondContact O-N 2.97Å; N68-S72 PolarHBondContact O-OG 2.81Å; R69-S72 PolarHBondContact O-N 3Å; F70-S72 PolarHBondContact O-N 3.38Å; S72-F75 PolarHBondContact O-N 3.26Å; S72-S76 PolarHBondContact O-N 2.93Å; S72-S76 PolarHBondContact O-OG 3.49Å
73L95.8Very high94.1Very high24 Ų2470.4 Ų70.413%0.12634%0.339CS..Hα-helixtrans-66.1-48.9178.7-72.3173.3000111.7F32 F52 F53 R69 F70 F75 S76 L77 I100F32-L73 HydrophobicContact CD2-CD2 3.74Å; F32-L73 HydrophobicContact CE2-CD1 4.15Å; F32-L73 HydrophobicContact CE2-CD2 3.43Å; F32-L73 VanDerWaalsContact CE2-CD2 3.43Å; F32-L73 HydrophobicContact CE2-CG 4.45Å; F32-L73 HydrophobicContact CG-CD2 4.41Å; F32-L73 HydrophobicContact CZ-CD1 3.91Å; F32-L73 HydrophobicContact CZ-CD2 3.86Å; F52-L73 VanDerWaalsContact O-CD1 3.31Å; F52-L73 WeakPolarHBondContact O-CD1 3.23Å; F53-L73 HydrophobicContact CD1-CD1 3.75Å; F53-L73 HydrophobicContact CE1-CD1 3.86Å; R69-L73 WeakPolarHBondContact O-CB 3.5Å; R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 3.34Å; F70-L73 PolarHBondContact O-N 3.4Å; L73-F75 VanDerWaalsContact C-N 3.27Å; L73-F75 PolarHBondContact O-N 3.23Å; L73-S76 WeakPolarHBondContact CA-OG 3.49Å; L73-S76 PolarHBondContact O-N 3.28Å; L73-S76 PolarHBondContact O-OG 3.35Å; L73-L77 HydrophobicContact CD2-CD1 4.44Å; L73-L77 WeakPolarHBondContact O-CB 3.35Å; L73-L77 PolarHBondContact O-N 3.4Å; L73-I100 HydrophobicContact CB-CD1 4.02Å; L73-I100 HydrophobicContact CB-CG2 4.31Å; L73-I100 HydrophobicContact CD1-CD1 4.43Å
74Q94.9Very high93.8Very high37 Ų3777.1 Ų77.117%0.17337%0.366CS..Hα-helixtrans-53.1-47.3173.8-85.3-68.5-43.600110.9F70 S76 L77 H78 A97 N101F70-Q74 HydrophobicContact CD2-CG 4.01Å; F70-Q74 HydrophobicContact CE1-CG 4.12Å; F70-Q74 HydrophobicContact CE2-CG 3.54Å; F70-Q74 HydrophobicContact CZ-CG 3.59Å; F70-Q74 VanDerWaalsContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CB 3.31Å; F70-Q74 WeakPolarHBondContact O-CG 3.36Å; F70-Q74 PolarHBondContact O-N 2.89Å; Q74-S76 VanDerWaalsContact C-N 3.33Å; Q74-S76 PolarHBondContact O-N 3.43Å; Q74-L77 PolarHBondContact O-N 3.44Å; Q74-H78 WeakPolarHBondContact O-CA 3.01Å; Q74-H78 VanDerWaalsContact O-CB 3.27Å; Q74-H78 WeakPolarHBondContact O-CB 3.46Å; Q74-H78 PolarHBondContact O-N 3.47Å; Q74-A97 PolarHBondContact NE2-O 3.26Å; Q74-N101 PolarHBondContact NE2-OD1 3.47Å
75F93.6Very high93.5Very high151 Ų15176.2 Ų76.266%0.66236%0.36SS*.Hα-helixtrans-59.4-43175.7-179.7-106.8000112.1R71 S72 L73 K81R71-F75 WeakPolarHBondContact O-CB 3.3Å; R71-F75 PolarHBondContact O-N 2.75Å; S72-F75 PolarHBondContact O-N 3.26Å; L73-F75 VanDerWaalsContact C-N 3.27Å; L73-F75 PolarHBondContact O-N 3.23Å; F75-K81 WeakPolarHBondContact O-CD 3.48Å; F75-K81 WeakPolarHBondContact O-CE 3.46Å; F75-K81 PolarHBondContact O-NZ 2.92Å
76S92.4Very high93.3Very high36 Ų3675.7 Ų75.725%0.25236%0.361SS..Hα-helixtrans-71.4-33.4-178.466.50000114.5S72 L73 Q74S72-S76 PolarHBondContact O-N 2.93Å; S72-S76 PolarHBondContact O-OG 3.49Å; L73-S76 WeakPolarHBondContact CA-OG 3.49Å; L73-S76 PolarHBondContact O-N 3.28Å; L73-S76 PolarHBondContact O-OG 3.35Å; Q74-S76 VanDerWaalsContact C-N 3.33Å; Q74-S76 PolarHBondContact O-N 3.43Å
77L91.9Very high93Very high1 Ų184.1 Ų84.11%0.00540%0.401CS..Hα-helixtrans-1092.7-170.4-71.5158.5000113.3F32 F33 V40 L73 Q74 S93 Q96 I100F32-L77 HydrophobicContact CB-CD1 4.09Å; F32-L77 HydrophobicContact CB-CD2 4.38Å; F32-L77 HydrophobicContact CD1-CD1 3.62Å; F32-L77 HydrophobicContact CE1-CD1 4.24Å; F32-L77 HydrophobicContact CG-CD1 3.91Å; F33-L77 HydrophobicContact CE1-CD2 4.11Å; F33-L77 HydrophobicContact CE2-CD2 3.77Å; F33-L77 HydrophobicContact CE2-CG 4.06Å; F33-L77 HydrophobicContact CZ-CD2 3.4Å; F33-L77 VanDerWaalsContact CZ-CD2 3.4Å; F33-L77 HydrophobicContact CZ-CG 3.93Å; V40-L77 HydrophobicContact CG2-CD2 3.68Å; L73-L77 HydrophobicContact CD2-CD1 4.44Å; L73-L77 WeakPolarHBondContact O-CB 3.35Å; L73-L77 PolarHBondContact O-N 3.4Å; Q74-L77 PolarHBondContact O-N 3.44Å; L77-S93 PolarHBondContact O-OG 3Å; L77-Q96 HydrophobicContact CD1-CB 4.27Å; L77-Q96 HydrophobicContact CD2-CB 4.09Å; L77-Q96 HydrophobicContact CD2-CG 4.43Å; L77-I100 HydrophobicContact CD1-CD1 3.22Å; L77-I100 HydrophobicContact CG-CD1 4.48Å
78H87Confident92.8Very high72 Ų7283.8 Ų83.833%0.33340%0.402SS..  trans-58.6132.6-179.3-163-93.6000111.3Q74 D80 K81 F82Q74-H78 WeakPolarHBondContact O-CA 3.01Å; Q74-H78 VanDerWaalsContact O-CB 3.27Å; Q74-H78 WeakPolarHBondContact O-CB 3.46Å; Q74-H78 PolarHBondContact O-N 3.47Å; H78-D80 IonicContact CE1-OD1 2.64Å; H78-D80 PolarHBondContact CE1-OD1 2.77Å; H78-D80 IonicContact CE1-OD2 3.65Å; H78-D80 PolarHBondContact CE1-OD2 3.37Å; H78-D80 VanDerWaalsContact ND1-CB 3.32Å; H78-D80 WeakPolarHBondContact ND1-CB 3.34Å; H78-D80 PolarHBondContact ND1-N 3.42Å; H78-D80 IonicContact ND1-OD1 3.16Å; H78-D80 IonicContact ND1-OD2 2.94Å; H78-D80 PolarHBondContact ND1-OD2 2.98Å; H78-D80 PolarHBondContact O-N 2.86Å; H78-K81 WeakPolarHBondContact O-CB 3.47Å; H78-K81 PolarHBondContact O-N 2.69Å; H78-F82 WeakPolarHBondContact O-CD2 3.45Å
79P82.8Confident92.7Very high29 Ų2981.1 Ų81.119%0.18839%0.388CS..G310 helixtrans-53.5-30.5-177.8-29.636000114.4K81 F82 T83 E94P79-K81 PolarHBondContact O-N 3.01Å; P79-K81 VanDerWaalsContact O-N 3.14Å; P79-F82 CarbonylContact O-C 3.58Å; P79-F82 WeakPolarHBondContact O-CA 3.24Å; P79-F82 PolarHBondContact O-N 3.33Å; P79-T83 PolarHBondContact O-N 3.36Å; P79-E94 HydrophobicContact CB-CG 4Å; P79-E94 HydrophobicContact CG-CG 3.7Å
80D88.4Confident92.5Very high110 Ų11080 Ų8059%0.58839%0.386SS*.G310 helixtrans-55.6-31.6176.4-67.2-2.5000113.1H78 F82 T83H78-D80 IonicContact CE1-OD1 2.64Å; H78-D80 PolarHBondContact CE1-OD1 2.77Å; H78-D80 IonicContact CE1-OD2 3.65Å; H78-D80 PolarHBondContact CE1-OD2 3.37Å; H78-D80 VanDerWaalsContact ND1-CB 3.32Å; H78-D80 WeakPolarHBondContact ND1-CB 3.34Å; H78-D80 PolarHBondContact ND1-N 3.42Å; H78-D80 IonicContact ND1-OD1 3.16Å; H78-D80 IonicContact ND1-OD2 2.94Å; H78-D80 PolarHBondContact ND1-OD2 2.98Å; H78-D80 PolarHBondContact O-N 2.86Å; D80-F82 PolarHBondContact O-N 3Å; D80-T83 WeakPolarHBondContact O-CG2 3.18Å; D80-T83 PolarHBondContact O-OG1 3.22Å
81K90Very high92.4Very high96 Ų9680.4 Ų80.442%0.41740%0.395SS..G310 helixtrans-71.7-18.9176.5-70.8-169.1167.8178.30113.5F75 H78 P79F75-K81 WeakPolarHBondContact O-CD 3.48Å; F75-K81 WeakPolarHBondContact O-CE 3.46Å; F75-K81 PolarHBondContact O-NZ 2.92Å; H78-K81 WeakPolarHBondContact O-CB 3.47Å; H78-K81 PolarHBondContact O-N 2.69Å; P79-K81 PolarHBondContact O-N 3.01Å; P79-K81 VanDerWaalsContact O-N 3.14Å
82F90.9Very high92.3Very high16 Ų1674 Ų747%0.0737%0.371CS..G310 helixtrans-107.46.9-176.4-59.9-94.5000112.4F33 V40 H78 P79 D80 K84 K85 E89 K90 S93F33-F82 HydrophobicContact CE1-CE1 4.49Å; F33-F82 AromaticContact CE1-CZ 3.97Å; F33-F82 HydrophobicContact CE1-CZ 3.97Å; F33-F82 HydrophobicContact CZ-CZ 4.32Å; V40-F82 HydrophobicContact CB-CE1 3.92Å; V40-F82 HydrophobicContact CB-CZ 4.17Å; V40-F82 HydrophobicContact CG1-CD1 4.17Å; V40-F82 HydrophobicContact CG1-CE1 3.68Å; V40-F82 HydrophobicContact CG1-CZ 4.33Å; H78-F82 WeakPolarHBondContact O-CD2 3.45Å; P79-F82 CarbonylContact O-C 3.58Å; P79-F82 WeakPolarHBondContact O-CA 3.24Å; P79-F82 PolarHBondContact O-N 3.33Å; D80-F82 PolarHBondContact O-N 3Å; F82-K84 PolarHBondContact O-N 2.9Å; F82-K84 VanDerWaalsContact O-N 3.14Å; F82-K85 HydrophobicContact CB-CB 4.2Å; F82-K85 HydrophobicContact CB-CG 4.25Å; F82-K85 HydrophobicContact CD1-CB 4.35Å; F82-K85 HydrophobicContact CD1-CG 4.04Å; F82-K85 WeakPolarHBondContact O-CB 3.41Å; F82-K85 PolarHBondContact O-N 3.47Å; F82-E89 HydrophobicContact CD1-CB 4.15Å; F82-K90 HydrophobicContact CB-CB 4.36Å; F82-S93 WeakPolarHBondContact CD2-OG 3.45Å; F82-S93 WeakPolarHBondContact CE2-OG 2.9Å
83T89.2Confident92.3Very high93 Ų9370.4 Ų70.457%0.57135%0.346SS*.THydrogen-bonded Turntrans-56.3-30.9179.548.40000114.6P79 D80P79-T83 PolarHBondContact O-N 3.36Å; D80-T83 WeakPolarHBondContact O-CG2 3.18Å; D80-T83 PolarHBondContact O-OG1 3.22Å
84K91.6Very high92.2Very high200 Ų20073.5 Ų73.587%0.8736%0.36SS*.THydrogen-bonded Turntrans-102.78.2177.7-60.8-177-179.11790113.5F82F82-K84 PolarHBondContact O-N 2.9Å; F82-K84 VanDerWaalsContact O-N 3.14Å
85K92.4Very high92.3Very high114 Ų11476.1 Ų76.150%0.49637%0.372SS..SBendtrans-94.8176.3-178.1-64.4-63.5-163.4153.50110.7F82 E89F82-K85 HydrophobicContact CB-CB 4.2Å; F82-K85 HydrophobicContact CB-CG 4.25Å; F82-K85 HydrophobicContact CD1-CB 4.35Å; F82-K85 HydrophobicContact CD1-CG 4.04Å; F82-K85 WeakPolarHBondContact O-CB 3.41Å; F82-K85 PolarHBondContact O-N 3.47Å; K85-E89 HydrophobicContact CB-CB 3.91Å; K85-E89 HydrophobicContact CB-CG 4.48Å; K85-E89 WeakPolarHBondContact CD-OE2 3.39Å; K85-E89 IonicContact NZ-OE2 3.17Å
86S93.4Very high92.3Very high51 Ų5169 Ų6936%0.35734%0.341SS..  trans-60.8152.3175.862.80000111.4K88 E89 K90S86-K88 PolarHBondContact O-N 3.24Å; S86-E89 WeakPolarHBondContact CB-OE1 3.48Å; S86-E89 PolarHBondContact N-OE1 3.31Å; S86-E89 VanDerWaalsContact N-OE1 3.08Å; S86-E89 WeakPolarHBondContact O-CB 3.39Å; S86-E89 PolarHBondContact O-N 2.97Å; S86-E89 VanDerWaalsContact O-N 3.1Å; S86-E89 WeakPolarHBondContact OG-CB 3.49Å; S86-E89 VanDerWaalsContact OG-CG 3.3Å; S86-E89 WeakPolarHBondContact OG-CG 3.47Å; S86-E89 PolarHBondContact OG-N 3.4Å; S86-E89 PolarHBondContact OG-OE1 2.92Å; S86-K90 PolarHBondContact O-N 3.38Å
87E93.9Very high92.4Very high177 Ų17767.6 Ų67.683%0.82733%0.332SS*.Hα-helixtrans-55.8-36.4177.1-68.3-177.9167.700111.9K90 A91E87-K90 PolarHBondContact O-N 3.22Å; E87-A91 WeakPolarHBondContact O-CB 3.45Å; E87-A91 PolarHBondContact O-N 2.99Å
88K94.2Very high92.6Very high101 Ų10169.9 Ų69.944%0.43935%0.351SS..Hα-helixtrans-66.6-42.2177.2-171.6166.2176.7-178.50112.7W19 S86 F92W19-K88 HydrophobicContact CD2-CD 4.17Å; W19-K88 HydrophobicContact CD2-CG 4.44Å; W19-K88 HydrophobicContact CE3-CD 3.56Å; W19-K88 HydrophobicContact CE3-CG 4.12Å; W19-K88 HydrophobicContact CH2-CB 4.08Å; W19-K88 HydrophobicContact CH2-CD 4.15Å; W19-K88 HydrophobicContact CH2-CG 3.92Å; W19-K88 HydrophobicContact CZ2-CG 4.26Å; W19-K88 HydrophobicContact CZ3-CB 4.22Å; W19-K88 HydrophobicContact CZ3-CD 3.56Å; W19-K88 HydrophobicContact CZ3-CG 3.87Å; S86-K88 PolarHBondContact O-N 3.24Å; K88-F92 HydrophobicContact CD-CE2 4.07Å; K88-F92 HydrophobicContact CD-CZ 4.4Å; K88-F92 HydrophobicContact CG-CD2 3.98Å; K88-F92 HydrophobicContact CG-CE2 3.48Å; K88-F92 VanDerWaalsContact CG-CE2 3.48Å; K88-F92 HydrophobicContact CG-CZ 3.95Å; K88-F92 WeakPolarHBondContact O-CD2 3.47Å; K88-F92 WeakPolarHBondContact O-CG 3.33Å; K88-F92 PolarHBondContact O-N 2.92Å
89E94.7Very high92.9Very high13 Ų1369.9 Ų69.96%0.06135%0.35CS..Hα-helixtrans-62-43.8172.1-79.3169.6-8100111.6W19 F39 V40 F82 K85 S86 F92 S93W19-E89 HydrophobicContact CH2-CG 3.8Å; W19-E89 HydrophobicContact CZ2-CG 3.74Å; F39-E89 VanDerWaalsContact CD1-CD 3.46Å; F39-E89 HydrophobicContact CD1-CG 3.49Å; F39-E89 VanDerWaalsContact CD1-CG 3.49Å; F39-E89 HydrophobicContact CE1-CG 3.73Å; F39-E89 WeakPolarHBondContact CE1-OE1 3.36Å; V40-E89 HydrophobicContact CG1-CB 4.06Å; V40-E89 HydrophobicContact CG1-CG 4.23Å; V40-E89 VanDerWaalsContact CG1-O 3.31Å; V40-E89 WeakPolarHBondContact CG1-O 3.49Å; F82-E89 HydrophobicContact CD1-CB 4.15Å; K85-E89 HydrophobicContact CB-CB 3.91Å; K85-E89 HydrophobicContact CB-CG 4.48Å; K85-E89 WeakPolarHBondContact CD-OE2 3.39Å; K85-E89 IonicContact NZ-OE2 3.17Å; S86-E89 WeakPolarHBondContact CB-OE1 3.48Å; S86-E89 PolarHBondContact N-OE1 3.31Å; S86-E89 VanDerWaalsContact N-OE1 3.08Å; S86-E89 WeakPolarHBondContact O-CB 3.39Å; S86-E89 PolarHBondContact O-N 2.97Å; S86-E89 VanDerWaalsContact O-N 3.1Å; S86-E89 WeakPolarHBondContact OG-CB 3.49Å; S86-E89 VanDerWaalsContact OG-CG 3.3Å; S86-E89 WeakPolarHBondContact OG-CG 3.47Å; S86-E89 PolarHBondContact OG-N 3.4Å; S86-E89 PolarHBondContact OG-OE1 2.92Å; E89-F92 PolarHBondContact O-N 2.9Å; E89-S93 WeakPolarHBondContact O-CB 3.43Å; E89-S93 PolarHBondContact O-N 3.22Å
90K94.9Very high93.6Very high89 Ų8968.5 Ų68.539%0.38734%0.341SS..Hα-helixtrans-62.3-45.9179.3-171.6-176.6175-165.10111.4F82 S86 E87 S93 E94F82-K90 HydrophobicContact CB-CB 4.36Å; S86-K90 PolarHBondContact O-N 3.38Å; E87-K90 PolarHBondContact O-N 3.22Å; K90-S93 WeakPolarHBondContact O-CB 3.35Å; K90-S93 PolarHBondContact O-N 3.43Å; K90-E94 WeakPolarHBondContact CE-OE1 3.37Å; K90-E94 IonicContact NZ-OE1 2.71Å; K90-E94 WeakPolarHBondContact O-CG 3.3Å; K90-E94 PolarHBondContact O-N 3Å
91A95.5Very high93.9Very high38 Ų3865.6 Ų65.631%0.31433%0.326SS..Hα-helixtrans-59.7-47.3176.800000112E87 S93 E94 E95E87-A91 WeakPolarHBondContact O-CB 3.45Å; E87-A91 PolarHBondContact O-N 2.99Å; A91-S93 VanDerWaalsContact C-N 3.34Å; A91-S93 PolarHBondContact O-N 3.44Å; A91-E94 WeakPolarHBondContact O-CB 3.45Å; A91-E94 PolarHBondContact O-N 3.33Å; A91-E95 WeakPolarHBondContact O-CG 3.14Å; A91-E95 PolarHBondContact O-N 3.11Å
92F95.4Very high94.3Very high31 Ų3165.1 Ų65.114%0.13633%0.328CS..Hα-helixtrans-67.4-33.1177.8-66.4-30.4000113.4W19 V40 P42 K88 E89 Q96W19-F92 AromaticContact CD1-CD2 3.88Å; W19-F92 AromaticContact CD1-CE2 3.51Å; W19-F92 HydrophobicContact CD2-CD2 4.3Å; W19-F92 AromaticContact CD2-CE2 3.76Å; W19-F92 HydrophobicContact CD2-CE2 3.76Å; W19-F92 AromaticContact CE2-CD2 3.63Å; W19-F92 AromaticContact CE2-CE2 3.58Å; W19-F92 HydrophobicContact CG-CD2 4.41Å; W19-F92 AromaticContact CG-CE2 3.7Å; W19-F92 HydrophobicContact CG-CE2 3.7Å; W19-F92 AromaticContact CZ2-CD2 3.96Å; W19-F92 HydrophobicContact CZ2-CD2 3.96Å; W19-F92 HydrophobicContact CZ2-CE2 4.19Å; W19-F92 AromaticContact NE1-CD2 3.39Å; W19-F92 AromaticContact NE1-CE2 3.45Å; V40-F92 HydrophobicContact CG1-CB 4.14Å; V40-F92 HydrophobicContact CG2-CB 4.41Å; P42-F92 HydrophobicContact CB-CD1 3.76Å; P42-F92 HydrophobicContact CB-CE1 3.81Å; P42-F92 HydrophobicContact CB-CG 4.28Å; P42-F92 HydrophobicContact CB-CZ 4.34Å; P42-F92 HydrophobicContact CG-CD1 4.47Å; P42-F92 HydrophobicContact CG-CE1 4.24Å; P42-F92 HydrophobicContact CG-CZ 4.27Å; K88-F92 HydrophobicContact CD-CE2 4.07Å; K88-F92 HydrophobicContact CD-CZ 4.4Å; K88-F92 HydrophobicContact CG-CD2 3.98Å; K88-F92 HydrophobicContact CG-CE2 3.48Å; K88-F92 VanDerWaalsContact CG-CE2 3.48Å; K88-F92 HydrophobicContact CG-CZ 3.95Å; K88-F92 WeakPolarHBondContact O-CD2 3.47Å; K88-F92 WeakPolarHBondContact O-CG 3.33Å; K88-F92 PolarHBondContact O-N 2.92Å; E89-F92 PolarHBondContact O-N 2.9Å; F92-Q96 WeakPolarHBondContact O-CB 3.13Å; F92-Q96 VanDerWaalsContact O-CG 3.25Å; F92-Q96 WeakPolarHBondContact O-CG 3.29Å; F92-Q96 PolarHBondContact O-N 3.44Å
93S95Very high94.6Very high0 Ų064.4 Ų64.40%032%0.324CS..Hα-helixtrans-62.4-43.2170.4160.80000111.9L77 F82 E89 K90 A91 Q96 A97L77-S93 PolarHBondContact O-OG 3Å; F82-S93 WeakPolarHBondContact CD2-OG 3.45Å; F82-S93 WeakPolarHBondContact CE2-OG 2.9Å; E89-S93 WeakPolarHBondContact O-CB 3.43Å; E89-S93 PolarHBondContact O-N 3.22Å; K90-S93 WeakPolarHBondContact O-CB 3.35Å; K90-S93 PolarHBondContact O-N 3.43Å; A91-S93 VanDerWaalsContact C-N 3.34Å; A91-S93 PolarHBondContact O-N 3.44Å; S93-Q96 PolarHBondContact O-N 3.4Å; S93-A97 VanDerWaalsContact O-CB 3.31Å; S93-A97 WeakPolarHBondContact O-CB 3.34Å; S93-A97 PolarHBondContact O-N 3.44Å
94E95.2Very high95Very high89 Ų8961.2 Ų61.242%0.41630%0.302SS..Hα-helixtrans-63.7-44.8176.2-73171.1-176.300111.8P79 K90 A91 A97 A98P79-E94 HydrophobicContact CB-CG 4Å; P79-E94 HydrophobicContact CG-CG 3.7Å; K90-E94 WeakPolarHBondContact CE-OE1 3.37Å; K90-E94 IonicContact NZ-OE1 2.71Å; K90-E94 WeakPolarHBondContact O-CG 3.3Å; K90-E94 PolarHBondContact O-N 3Å; A91-E94 WeakPolarHBondContact O-CB 3.45Å; A91-E94 PolarHBondContact O-N 3.33Å; E94-A97 PolarHBondContact O-N 2.94Å; E94-A98 WeakPolarHBondContact O-CB 3.42Å; E94-A98 PolarHBondContact O-N 3.03Å
95E95.1Very high95.3Very high92 Ų9257.4 Ų57.443%0.4329%0.286SS..Hα-helixtrans-60-46.3175.6-72.8175.7-158.400112.1P43 A91 A98 K99P43-E95 HydrophobicContact CG-CB 4.1Å; A91-E95 WeakPolarHBondContact O-CG 3.14Å; A91-E95 PolarHBondContact O-N 3.11Å; E95-A98 PolarHBondContact O-N 2.86Å; E95-K99 WeakPolarHBondContact O-CB 3.4Å; E95-K99 PolarHBondContact O-N 3.23Å
96Q95Very high95.6Very high0 Ų053.5 Ų53.50%027%0.272CS..Hα-helixtrans-62.8-45.4176.5-74.7-75.313.700111.8R31 V40 Q41 P43 L77 F92 S93 A98 K99 I100R31-Q96 PolarHBondContact O-NE2 3.43Å; V40-Q96 HydrophobicContact CG2-CG 4.24Å; Q41-Q96 VanDerWaalsContact O-CG 3.31Å; Q41-Q96 WeakPolarHBondContact O-CG 3.34Å; Q41-Q96 PolarHBondContact O-NE2 3.41Å; P43-Q96 HydrophobicContact CG-CG 4.08Å; L77-Q96 HydrophobicContact CD1-CB 4.27Å; L77-Q96 HydrophobicContact CD2-CB 4.09Å; L77-Q96 HydrophobicContact CD2-CG 4.43Å; F92-Q96 WeakPolarHBondContact O-CB 3.13Å; F92-Q96 VanDerWaalsContact O-CG 3.25Å; F92-Q96 WeakPolarHBondContact O-CG 3.29Å; F92-Q96 PolarHBondContact O-N 3.44Å; S93-Q96 PolarHBondContact O-N 3.4Å; Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.86Å; Q96-K99 PolarHBondContact O-N 3.44Å; Q96-I100 WeakPolarHBondContact O-CB 3.32Å; Q96-I100 WeakPolarHBondContact O-CD1 3.31Å; Q96-I100 VanDerWaalsContact O-CG1 3.29Å; Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 3.43Å
97A94.6Very high95.9Very high8 Ų851.1 Ų51.17%0.06626%0.255CS..Hα-helixtrans-61.3-42.8179.100000111.9Q74 S93 E94 N101Q74-A97 PolarHBondContact NE2-O 3.26Å; S93-A97 VanDerWaalsContact O-CB 3.31Å; S93-A97 WeakPolarHBondContact O-CB 3.34Å; S93-A97 PolarHBondContact O-N 3.44Å; E94-A97 PolarHBondContact O-N 2.94Å; A97-N101 VanDerWaalsContact O-CG 3.27Å; A97-N101 PolarHBondContact O-N 2.86Å; A97-N101 PolarHBondContact O-ND2 2.87Å
98A94.7Very high96.1Very high49 Ų4943.9 Ų43.941%0.40522%0.221SC..Hα-helixtrans-61.4-48174.700000111.2E94 E95 Q96 I100 N101 D102E94-A98 WeakPolarHBondContact O-CB 3.42Å; E94-A98 PolarHBondContact O-N 3.03Å; E95-A98 PolarHBondContact O-N 2.86Å; Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.86Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-I100 PolarHBondContact O-N 3.46Å; A98-N101 WeakPolarHBondContact O-CB 3.41Å; A98-N101 PolarHBondContact O-N 3.33Å; A98-N101 VanDerWaalsContact O-N 3.11Å; A98-D102 PolarHBondContact O-N 2.89Å
99K94.8Very high96.2Very high71 Ų7145.3 Ų45.331%0.30923%0.228SC..Hα-helixtrans-64.8-36.6-178.7-167.959.3165.9175.50112.9P43 Y49 F52 E95 Q96 D102 A103P43-K99 HydrophobicContact CB-CB 4.45Å; P43-K99 HydrophobicContact CB-CG 4.19Å; P43-K99 HydrophobicContact CG-CB 4.19Å; P43-K99 HydrophobicContact CG-CG 4.47Å; Y49-K99 HydrophobicContact CE1-CD 4.19Å; Y49-K99 PolarHBondContact OH-NZ 2.89Å; F52-K99 HydrophobicContact CE2-CD 4.39Å; F52-K99 HydrophobicContact CE2-CG 3.57Å; F52-K99 HydrophobicContact CZ-CG 3.75Å; E95-K99 WeakPolarHBondContact O-CB 3.4Å; E95-K99 PolarHBondContact O-N 3.23Å; Q96-K99 PolarHBondContact O-N 3.44Å; K99-D102 PolarHBondContact O-N 3.22Å; K99-A103 VanDerWaalsContact O-CB 3.31Å; K99-A103 WeakPolarHBondContact O-CB 3.31Å; K99-A103 PolarHBondContact O-N 2.94Å
100I95.9Very high96.3Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-66.3-39173.3-73.7159.8000111.4F32 F53 F70 L73 L77 Q96 A98 A103 Y104F32-I100 HydrophobicContact CD1-CD1 4.23Å; F32-I100 HydrophobicContact CE1-CD1 3.77Å; F32-I100 HydrophobicContact CE1-CG1 4.03Å; F32-I100 HydrophobicContact CZ-CD1 4.42Å; F53-I100 HydrophobicContact CE1-CG2 4.03Å; F53-I100 HydrophobicContact CZ-CG2 4.16Å; F70-I100 HydrophobicContact CD2-CG2 3.62Å; F70-I100 HydrophobicContact CE2-CG2 3.81Å; L73-I100 HydrophobicContact CB-CD1 4.02Å; L73-I100 HydrophobicContact CB-CG2 4.31Å; L73-I100 HydrophobicContact CD1-CD1 4.43Å; L77-I100 HydrophobicContact CD1-CD1 3.22Å; L77-I100 HydrophobicContact CG-CD1 4.48Å; Q96-I100 WeakPolarHBondContact O-CB 3.32Å; Q96-I100 WeakPolarHBondContact O-CD1 3.31Å; Q96-I100 VanDerWaalsContact O-CG1 3.29Å; Q96-I100 WeakPolarHBondContact O-CG1 3.43Å; Q96-I100 PolarHBondContact O-N 3.43Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-I100 PolarHBondContact O-N 3.46Å; I100-A103 PolarHBondContact O-N 3.48Å; I100-Y104 WeakPolarHBondContact O-CB 3.41Å; I100-Y104 PolarHBondContact O-N 2.88Å
101N96.5Very high96.4Very high50 Ų5043 Ų4327%0.26722%0.221SC..Hα-helixtrans-62.2-49.7174.9-73.9-25000111F70 Q74 A97 A98 A103 Y104 F105F70-N101 VanDerWaalsContact CE2-OD1 3.27Å; F70-N101 WeakPolarHBondContact CE2-OD1 3.35Å; F70-N101 VanDerWaalsContact CZ-OD1 3.31Å; F70-N101 WeakPolarHBondContact CZ-OD1 3.46Å; Q74-N101 PolarHBondContact NE2-OD1 3.47Å; A97-N101 VanDerWaalsContact O-CG 3.27Å; A97-N101 PolarHBondContact O-N 2.86Å; A97-N101 PolarHBondContact O-ND2 2.87Å; A98-N101 WeakPolarHBondContact O-CB 3.41Å; A98-N101 PolarHBondContact O-N 3.33Å; A98-N101 VanDerWaalsContact O-N 3.11Å; N101-A103 VanDerWaalsContact C-N 3.29Å; N101-A103 PolarHBondContact O-N 3.37Å; N101-Y104 PolarHBondContact O-N 3.39Å; N101-F105 HydrophobicContact CB-CD2 4.37Å; N101-F105 HydrophobicContact CB-CE2 4.27Å; N101-F105 WeakPolarHBondContact O-CD2 3.47Å; N101-F105 PolarHBondContact O-N 3.5Å
102D97.1Very high96.5Very high86 Ų8643 Ų4346%0.4622%0.219SC..Hα-helixtrans-56.4-46.8177.4-69.5-15.6000111.1A98 K99 T106A98-D102 PolarHBondContact O-N 2.89Å; K99-D102 PolarHBondContact O-N 3.22Å; D102-T106 WeakPolarHBondContact O-CB 3.32Å; D102-T106 PolarHBondContact O-N 3.25Å; D102-T106 PolarHBondContact O-OG1 3.44Å
103A97.3Very high96.6Very high0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-60.3-47.3177.800000112.1Y49 F52 F53 K99 I100 N101 T106 L107Y49-A103 HydrophobicContact CD1-CB 3.46Å; Y49-A103 VanDerWaalsContact CD1-CB 3.46Å; Y49-A103 HydrophobicContact CD2-CB 4.07Å; Y49-A103 HydrophobicContact CE1-CB 4.02Å; Y49-A103 HydrophobicContact CG-CB 3.47Å; Y49-A103 VanDerWaalsContact CG-CB 3.47Å; F52-A103 HydrophobicContact CD2-CB 3.67Å; F52-A103 HydrophobicContact CE2-CB 4.23Å; F53-A103 HydrophobicContact CE2-CB 3.62Å; F53-A103 HydrophobicContact CZ-CB 3.96Å; K99-A103 VanDerWaalsContact O-CB 3.31Å; K99-A103 WeakPolarHBondContact O-CB 3.31Å; K99-A103 PolarHBondContact O-N 2.94Å; I100-A103 PolarHBondContact O-N 3.48Å; N101-A103 VanDerWaalsContact C-N 3.29Å; N101-A103 PolarHBondContact O-N 3.37Å; A103-T106 PolarHBondContact O-N 3.46Å; A103-L107 WeakPolarHBondContact O-CB 3.5Å; A103-L107 VanDerWaalsContact O-CG 3.32Å; A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 2.98Å
104Y98.4Very high96.8Very high26 Ų2641.9 Ų41.910%0.10221%0.214CC..Hα-helixtrans-62.5-52.1180171.5-105.1000111.9L66 R67 F70 I100 N101 T106 L107 L108L66-Y104 HydrophobicContact CD1-CD2 4.11Å; L66-Y104 HydrophobicContact CD2-CD2 4.24Å; L66-Y104 HydrophobicContact CD2-CE2 4.36Å; L66-Y104 HydrophobicContact CG-CD2 3.88Å; L66-Y104 HydrophobicContact CG-CE2 4.08Å; R67-Y104 HydrophobicContact CG-CE2 4.02Å; F70-Y104 HydrophobicContact CB-CD2 3.54Å; F70-Y104 HydrophobicContact CB-CE2 3.99Å; F70-Y104 HydrophobicContact CB-CG 4.09Å; F70-Y104 AromaticContact CD1-CD1 3.95Å; F70-Y104 HydrophobicContact CD1-CD1 3.95Å; F70-Y104 AromaticContact CD1-CD2 3.85Å; F70-Y104 HydrophobicContact CD1-CD2 3.85Å; F70-Y104 HydrophobicContact CD1-CE1 4.01Å; F70-Y104 AromaticContact CD1-CE2 3.93Å; F70-Y104 HydrophobicContact CD1-CE2 3.93Å; F70-Y104 AromaticContact CD1-CG 3.86Å; F70-Y104 HydrophobicContact CD1-CG 3.86Å; F70-Y104 AromaticContact CD1-CZ 4Å; F70-Y104 HydrophobicContact CD2-CD1 4.13Å; F70-Y104 AromaticContact CD2-CD2 3.92Å; F70-Y104 HydrophobicContact CD2-CD2 3.92Å; F70-Y104 AromaticContact CD2-CG 3.54Å; F70-Y104 HydrophobicContact CD2-CG 3.54Å; F70-Y104 AromaticContact CE1-CD1 3.82Å; F70-Y104 HydrophobicContact CE1-CD1 3.82Å; F70-Y104 AromaticContact CE1-CE1 3.93Å; F70-Y104 HydrophobicContact CE1-CE1 3.93Å; F70-Y104 HydrophobicContact CE1-CG 4.14Å; F70-Y104 AromaticContact CE2-CD1 4Å; F70-Y104 HydrophobicContact CE2-CD1 4Å; F70-Y104 AromaticContact CE2-CG 3.83Å; F70-Y104 HydrophobicContact CE2-CG 3.83Å; F70-Y104 HydrophobicContact CG-CD1 4.1Å; F70-Y104 AromaticContact CG-CD2 3.49Å; F70-Y104 HydrophobicContact CG-CD2 3.49Å; F70-Y104 VanDerWaalsContact CG-CD2 3.49Å; F70-Y104 AromaticContact CG-CE2 3.99Å; F70-Y104 HydrophobicContact CG-CE2 3.99Å; F70-Y104 AromaticContact CG-CG 3.54Å; F70-Y104 HydrophobicContact CG-CG 3.54Å; F70-Y104 AromaticContact CZ-CD1 3.84Å; F70-Y104 HydrophobicContact CZ-CD1 3.84Å; F70-Y104 HydrophobicContact CZ-CE1 4.38Å; F70-Y104 HydrophobicContact CZ-CG 4.12Å; I100-Y104 WeakPolarHBondContact O-CB 3.41Å; I100-Y104 PolarHBondContact O-N 2.88Å; N101-Y104 PolarHBondContact O-N 3.39Å; Y104-T106 VanDerWaalsContact C-N 3.29Å; Y104-T106 PolarHBondContact O-N 2.98Å; Y104-L107 PolarHBondContact O-N 3.35Å; Y104-L108 HydrophobicContact CE1-CD2 4Å; Y104-L108 HydrophobicContact CE2-CD1 4.33Å; Y104-L108 WeakPolarHBondContact O-CB 3.46Å; Y104-L108 PolarHBondContact O-N 2.91Å
105F98Very high96.8Very high121 Ų12140.3 Ų40.353%0.53121%0.207SC..Hα-helixtrans-66.4-33.7-178.2-69.3-61.4000112.2N101N101-F105 HydrophobicContact CB-CD2 4.37Å; N101-F105 HydrophobicContact CB-CE2 4.27Å; N101-F105 WeakPolarHBondContact O-CD2 3.47Å; N101-F105 PolarHBondContact O-N 3.5Å
106T98.3Very high96.9Very high32 Ų3237.3 Ų37.320%0.19619%0.193CC..Hα-helixtrans-64-49.1173.4-61.60000111.4Y49 D102 A103 Y104 S112 R113 Y116Y49-T106 HydrophobicContact CD2-CG2 3.79Å; Y49-T106 HydrophobicContact CE2-CG2 3.92Å; D102-T106 WeakPolarHBondContact O-CB 3.32Å; D102-T106 PolarHBondContact O-N 3.25Å; D102-T106 PolarHBondContact O-OG1 3.44Å; A103-T106 PolarHBondContact O-N 3.46Å; Y104-T106 VanDerWaalsContact C-N 3.29Å; Y104-T106 PolarHBondContact O-N 2.98Å; T106-S112 CarbonylContact O-C 3.41Å; T106-S112 WeakPolarHBondContact O-CB 3.27Å; T106-S112 PolarHBondContact O-OG 2.95Å; T106-R113 PolarHBondContact O-N 3.28Å; T106-Y116 HydrophobicContact CG2-CD1 4.39Å; T106-Y116 HydrophobicContact CG2-CD2 4.3Å; T106-Y116 HydrophobicContact CG2-CG 3.83Å
107L98.5Very high97.1Very high0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-75.9-22.7-178.7-66-176.1000113.2Y49 F50 F53 I61 L66 A103 Y104 K109 R113 Y116Y49-L107 WeakPolarHBondContact O-CD1 3.44Å; F50-L107 HydrophobicContact CD1-CD1 4.19Å; F50-L107 HydrophobicContact CD1-CD2 4.08Å; F50-L107 HydrophobicContact CD2-CD2 4.2Å; F50-L107 HydrophobicContact CE1-CD2 3.66Å; F50-L107 HydrophobicContact CE2-CD2 3.78Å; F50-L107 HydrophobicContact CG-CD1 4.35Å; F50-L107 HydrophobicContact CG-CD2 4.33Å; F50-L107 HydrophobicContact CZ-CD2 3.49Å; F50-L107 VanDerWaalsContact CZ-CD2 3.49Å; F53-L107 HydrophobicContact CD2-CD1 3.83Å; F53-L107 HydrophobicContact CE2-CD1 4.12Å; I61-L107 HydrophobicContact CD1-CB 4.11Å; L66-L107 HydrophobicContact CD1-CB 4.42Å; L66-L107 HydrophobicContact CD1-CD1 4.36Å; L66-L107 HydrophobicContact CD2-CB 3.96Å; A103-L107 WeakPolarHBondContact O-CB 3.5Å; A103-L107 VanDerWaalsContact O-CG 3.32Å; A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 2.98Å; Y104-L107 PolarHBondContact O-N 3.35Å; L107-K109 PolarHBondContact O-N 3.47Å; L107-R113 HydrophobicContact CD2-CG 3.99Å; L107-R113 PolarHBondContact O-NE 2.79Å; L107-R113 PolarHBondContact O-NH2 2.8Å; L107-Y116 HydrophobicContact CD2-CD1 4.1Å
108L98.3Very high97.2Very high25 Ų2537.8 Ų37.813%0.13119%0.193CC..Hα-helixtrans-65.1-40-175.8-17965.8000112.7L63 Y104 R113L63-L108 HydrophobicContact CD2-CD1 4.4Å; Y104-L108 HydrophobicContact CE1-CD2 4Å; Y104-L108 HydrophobicContact CE2-CD1 4.33Å; Y104-L108 WeakPolarHBondContact O-CB 3.46Å; Y104-L108 PolarHBondContact O-N 2.91Å; L108-R113 PolarHBondContact O-NH2 2.89Å
109K97.2Very high97.2Very high132 Ų13238.1 Ų38.157%0.57419%0.193SC*.SBendtrans-99.6135.4-176.4-56.8-64-174.1170.50110.8L107 L111 S112 R113L107-K109 PolarHBondContact O-N 3.47Å; K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 2.96Å; K109-S112 WeakPolarHBondContact CB-OG 3.47Å; K109-S112 PolarHBondContact O-N 3.19Å; K109-S112 PolarHBondContact O-OG 3.43Å; K109-S112 VanDerWaalsContact O-OG 3.07Å; K109-R113 VanDerWaalsContact O-CB 3.29Å; K109-R113 WeakPolarHBondContact O-CB 3.31Å; K109-R113 PolarHBondContact O-N 2.9Å
110P97.7Very high97.2Very high25 Ų2538.3 Ų38.316%0.16220%0.197CC..Hα-helixtrans-58.1-41.8-177.1-2431.9000113.6F59 R113 A114 E179 M201F59-P110 HydrophobicContact CE2-CB 4.43Å; F59-P110 WeakPolarHBondContact CE2-O 3.49Å; F59-P110 HydrophobicContact CZ-CB 3.82Å; P110-R113 PolarHBondContact O-N 3.46Å; P110-A114 WeakPolarHBondContact O-CB 3.27Å; P110-A114 PolarHBondContact O-N 2.93Å; P110-E179 HydrophobicContact CB-CG 3.74Å; P110-E179 VanDerWaalsContact CG-CD 3.46Å; P110-E179 HydrophobicContact CG-CG 4.04Å; P110-E179 WeakPolarHBondContact CG-OE1 3.27Å; P110-M201 HydrophobicContact CB-CE 3.86Å; P110-M201 HydrophobicContact CG-CE 4.49Å
111L96.6Very high97.1Very high29 Ų2944.7 Ų44.715%0.15222%0.221CC..Hα-helixtrans-62.3-52.6179.3176.461.6000112.4K109 R113 A114 I115 V198 M201 K202 N205K109-L111 VanDerWaalsContact C-N 3.34Å; K109-L111 PolarHBondContact O-N 2.96Å; L111-R113 VanDerWaalsContact C-N 3.27Å; L111-R113 PolarHBondContact O-N 3.42Å; L111-A114 PolarHBondContact O-N 3.21Å; L111-I115 HydrophobicContact CD1-CD1 3.9Å; L111-I115 HydrophobicContact CD1-CG1 4.26Å; L111-I115 HydrophobicContact CG-CD1 3.93Å; L111-I115 WeakPolarHBondContact O-CG1 3.48Å; L111-I115 PolarHBondContact O-N 3.44Å; L111-V198 HydrophobicContact CD1-CG1 3.85Å; L111-M201 HydrophobicContact CB-CG 4.41Å; L111-M201 HydrophobicContact CB-SD 4.06Å; L111-M201 HydrophobicContact CD1-CB 4.24Å; L111-M201 HydrophobicContact CD1-CG 4.29Å; L111-M201 HydrophobicContact CD1-SD 4.45Å; L111-K202 HydrophobicContact CD1-CG 3.91Å; L111-K202 HydrophobicContact CD2-CG 3.92Å; L111-N205 WeakPolarHBondContact CD2-ND2 3.31Å
112S96.9Very high97Very high37 Ų3745.5 Ų45.526%0.25924%0.241SC..Hα-helixtrans-64.7-35.1179.951.90000111.6T106 K109 I115 Y116T106-S112 CarbonylContact O-C 3.41Å; T106-S112 WeakPolarHBondContact O-CB 3.27Å; T106-S112 PolarHBondContact O-OG 2.95Å; K109-S112 WeakPolarHBondContact CB-OG 3.47Å; K109-S112 PolarHBondContact O-N 3.19Å; K109-S112 PolarHBondContact O-OG 3.43Å; K109-S112 VanDerWaalsContact O-OG 3.07Å; S112-I115 PolarHBondContact O-N 3.31Å; S112-Y116 WeakPolarHBondContact O-CB 3.32Å; S112-Y116 PolarHBondContact O-N 3.05Å
113R98.2Very high96.7Very high8 Ų842.3 Ų42.33%0.0323%0.225CC..Hα-helixtrans-61.7-47.7173.6-171.8-169.3-50.8139.310111.3F50 F59 T106 L107 L108 K109 P110 L111 Y116 M117F50-R113 HydrophobicContact CZ-CG 4.19Å; F59-R113 WeakPolarHBondContact O-CD 3.37Å; F59-R113 PolarHBondContact O-NH1 3.32Å; T106-R113 PolarHBondContact O-N 3.28Å; L107-R113 HydrophobicContact CD2-CG 3.99Å; L107-R113 PolarHBondContact O-NE 2.79Å; L107-R113 PolarHBondContact O-NH2 2.8Å; L108-R113 PolarHBondContact O-NH2 2.89Å; K109-R113 VanDerWaalsContact O-CB 3.29Å; K109-R113 WeakPolarHBondContact O-CB 3.31Å; K109-R113 PolarHBondContact O-N 2.9Å; P110-R113 PolarHBondContact O-N 3.46Å; L111-R113 VanDerWaalsContact C-N 3.27Å; L111-R113 PolarHBondContact O-N 3.42Å; R113-Y116 PolarHBondContact O-N 2.94Å; R113-M117 HydrophobicContact CG-SD 4.25Å; R113-M117 WeakPolarHBondContact O-CG 3.25Å; R113-M117 PolarHBondContact O-N 3.14Å
114A97.8Very high96.1Very high0 Ų053.1 Ų53.10%027%0.266CS..Hα-helixtrans-62-44.6177.900000112.2F59 P110 L111 Y116 M117 L118 L182 F186 V198F59-A114 HydrophobicContact CD2-CB 4.3Å; F59-A114 HydrophobicContact CE2-CB 3.78Å; P110-A114 WeakPolarHBondContact O-CB 3.27Å; P110-A114 PolarHBondContact O-N 2.93Å; L111-A114 PolarHBondContact O-N 3.21Å; A114-Y116 VanDerWaalsContact C-N 3.28Å; A114-Y116 PolarHBondContact O-N 2.71Å; A114-M117 PolarHBondContact O-N 2.88Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.39Å; A114-L182 HydrophobicContact CB-CD1 3.96Å; A114-L182 HydrophobicContact CB-CD2 4.12Å; A114-F186 HydrophobicContact CB-CE2 3.84Å; A114-F186 HydrophobicContact CB-CZ 4.11Å; A114-F186 WeakPolarHBondContact O-CZ 3.39Å; A114-V198 HydrophobicContact CB-CG2 3.51Å
115I96.5Very high95.4Very high55 Ų5553.5 Ų53.528%0.28227%0.269SS..Hα-helixtrans-59.1-43.1176.4-67.7167.9000110.5L111 S112 L118 S119 M125 V198L111-I115 HydrophobicContact CD1-CD1 3.9Å; L111-I115 HydrophobicContact CD1-CG1 4.26Å; L111-I115 HydrophobicContact CG-CD1 3.93Å; L111-I115 WeakPolarHBondContact O-CG1 3.48Å; L111-I115 PolarHBondContact O-N 3.44Å; S112-I115 PolarHBondContact O-N 3.31Å; I115-L118 PolarHBondContact O-N 3.14Å; I115-S119 PolarHBondContact O-N 3.08Å; I115-M125 HydrophobicContact CG1-CG 4.32Å; I115-M125 HydrophobicContact CG2-CG 4.43Å; I115-V198 HydrophobicContact CD1-CG1 4.32Å; I115-V198 HydrophobicContact CG1-CG1 3.65Å
116Y97.2Very high94.4Very high30 Ų3053.9 Ų53.912%0.11827%0.273CS..Hα-helixtrans-65.7-43.3176.9-179.8-112.3000112.7D48 Y49 F50 T106 L107 S112 R113 A114 L118 S119 L120D48-Y116 VanDerWaalsContact CA-OH 3.26Å; D48-Y116 WeakPolarHBondContact CA-OH 3.29Å; D48-Y116 VanDerWaalsContact CB-OH 3.23Å; D48-Y116 WeakPolarHBondContact CB-OH 3.34Å; Y49-Y116 HydrophobicContact CD1-CE2 4.49Å; Y49-Y116 AromaticContact CD2-CD1 3.99Å; Y49-Y116 HydrophobicContact CD2-CD1 3.99Å; Y49-Y116 AromaticContact CD2-CD2 3.87Å; Y49-Y116 HydrophobicContact CD2-CD2 3.87Å; Y49-Y116 AromaticContact CD2-CE1 3.71Å; Y49-Y116 HydrophobicContact CD2-CE1 3.71Å; Y49-Y116 AromaticContact CD2-CE2 3.58Å; Y49-Y116 HydrophobicContact CD2-CE2 3.58Å; Y49-Y116 HydrophobicContact CD2-CG 4.06Å; Y49-Y116 AromaticContact CD2-CZ 3.49Å; Y49-Y116 VanDerWaalsContact CD2-CZ 3.49Å; Y49-Y116 HydrophobicContact CE2-CD2 4Å; Y49-Y116 AromaticContact CE2-CE2 3.78Å; Y49-Y116 HydrophobicContact CE2-CE2 3.78Å; Y49-Y116 HydrophobicContact CG-CD1 4.45Å; Y49-Y116 AromaticContact CG-CE1 3.74Å; Y49-Y116 HydrophobicContact CG-CE1 3.74Å; Y49-Y116 HydrophobicContact CG-CE2 4Å; Y49-Y116 AromaticContact CG-CZ 3.48Å; Y49-Y116 VanDerWaalsContact CG-CZ 3.48Å; Y49-Y116 PolarHBondContact N-OH 3.31Å; F50-Y116 HydrophobicContact CD2-CD1 4.49Å; F50-Y116 HydrophobicContact CD2-CE1 4.03Å; F50-Y116 AromaticContact CE2-CD1 3.84Å; F50-Y116 HydrophobicContact CE2-CD1 3.84Å; F50-Y116 AromaticContact CE2-CE1 3.82Å; F50-Y116 HydrophobicContact CE2-CE1 3.82Å; T106-Y116 HydrophobicContact CG2-CD1 4.39Å; T106-Y116 HydrophobicContact CG2-CD2 4.3Å; T106-Y116 HydrophobicContact CG2-CG 3.83Å; L107-Y116 HydrophobicContact CD2-CD1 4.1Å; S112-Y116 WeakPolarHBondContact O-CB 3.32Å; S112-Y116 PolarHBondContact O-N 3.05Å; R113-Y116 PolarHBondContact O-N 2.94Å; A114-Y116 VanDerWaalsContact C-N 3.28Å; A114-Y116 PolarHBondContact O-N 2.71Å; Y116-L118 VanDerWaalsContact C-N 3.32Å; Y116-L118 PolarHBondContact O-N 2.98Å; Y116-S119 PolarHBondContact O-N 3.26Å; Y116-S119 VanDerWaalsContact O-N 3.11Å; Y116-S119 PolarHBondContact O-OG 3.3Å; Y116-L120 HydrophobicContact CD1-CD1 4.16Å; Y116-L120 HydrophobicContact CD1-CG 4.48Å; Y116-L120 HydrophobicContact CE1-CD1 3.62Å; Y116-L120 HydrophobicContact CE1-CD2 4.37Å; Y116-L120 HydrophobicContact CE1-CG 4.04Å; Y116-L120 HydrophobicContact CE2-CD2 4.22Å; Y116-L120 HydrophobicContact CE2-CG 4.33Å; Y116-L120 WeakPolarHBondContact O-CG 3.34Å; Y116-L120 PolarHBondContact O-N 2.87Å
117M97.7Very high92.9Very high17 Ų1761.7 Ų61.78%0.08431%0.307CS..Hα-helixtrans-62.1-39.4176.1-72.4178.371.900112.3F50 F59 R113 A114 S119 L120 R121 F186F50-M117 HydrophobicContact CE2-CG 3.9Å; F50-M117 HydrophobicContact CZ-CG 3.6Å; F50-M117 HydrophobicContact CZ-SD 3.93Å; F59-M117 VanDerWaalsContact CA-SD 3.55Å; F59-M117 HydrophobicContact CB-CE 4.14Å; F59-M117 HydrophobicContact CB-SD 3.91Å; F59-M117 HydrophobicContact CD2-SD 4.01Å; F59-M117 HydrophobicContact CG-SD 4.49Å; R113-M117 HydrophobicContact CG-SD 4.25Å; R113-M117 WeakPolarHBondContact O-CG 3.25Å; R113-M117 PolarHBondContact O-N 3.14Å; A114-M117 PolarHBondContact O-N 2.88Å; M117-S119 VanDerWaalsContact C-N 3.34Å; M117-L120 PolarHBondContact O-N 3.46Å; M117-R121 PolarHBondContact O-N 2.92Å; M117-F186 HydrophobicContact CB-CD1 4.18Å; M117-F186 HydrophobicContact CB-CE1 3.56Å; M117-F186 HydrophobicContact CB-CE2 4.35Å; M117-F186 HydrophobicContact CB-CZ 3.66Å; M117-F186 HydrophobicContact CE-CB 3.95Å; M117-F186 HydrophobicContact CE-CD1 3.8Å; M117-F186 HydrophobicContact CE-CD2 4.08Å; M117-F186 HydrophobicContact CE-CE1 4.31Å; M117-F186 HydrophobicContact CE-CG 3.68Å; M117-F186 HydrophobicContact SD-CD2 4.23Å; M117-F186 HydrophobicContact SD-CE2 4.27Å; M117-F186 HydrophobicContact SD-CG 4.4Å; M117-F186 HydrophobicContact SD-CZ 4.47Å
118L96.6Very high91.2Very high0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-61-43.1171.9-76172.4000111.4A114 I115 Y116 L120 R121 G122 C123 M125 F186 L191 A194 K195 V198A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.39Å; I115-L118 PolarHBondContact O-N 3.14Å; Y116-L118 VanDerWaalsContact C-N 3.32Å; Y116-L118 PolarHBondContact O-N 2.98Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 2.86Å; L118-R121 CarbonylContact O-C 3.46Å; L118-R121 WeakPolarHBondContact O-CA 3.3Å; L118-R121 PolarHBondContact O-N 2.92Å; L118-G122 PolarHBondContact O-N 3.02Å; L118-C123 CarbonylContact C-O 3.17Å; L118-C123 HydrophobicContact CB-CB 4.05Å; L118-C123 WeakPolarHBondContact CB-O 3.49Å; L118-C123 HydrophobicContact CD2-CB 4.1Å; L118-C123 WeakPolarHBondContact O-CA 3.46Å; L118-C123 WeakPolarHBondContact O-CB 3.28Å; L118-C123 PolarHBondContact O-N 2.88Å; L118-M125 HydrophobicContact CD1-CG 3.97Å; L118-M125 HydrophobicContact CD1-SD 3.6Å; L118-F186 HydrophobicContact CD2-CE1 4.18Å; L118-F186 HydrophobicContact CD2-CZ 4.42Å; L118-F186 HydrophobicContact CG-CE1 4.15Å; L118-F186 HydrophobicContact CG-CZ 4.02Å; L118-L191 HydrophobicContact CD2-CD2 4.19Å; L118-A194 HydrophobicContact CD2-CB 3.9Å; L118-K195 HydrophobicContact CD1-CG 4.07Å; L118-K195 HydrophobicContact CD2-CG 4.16Å; L118-V198 HydrophobicContact CD1-CB 4.36Å; L118-V198 HydrophobicContact CD1-CG2 3.84Å
119S95.5Very high89.5Confident56 Ų5667.6 Ų67.639%0.39236%0.357SS..Hα-helixtrans-65.7-35.5-179.381.90000112.6I115 Y116 M117 R121 G122 C123I115-S119 PolarHBondContact O-N 3.08Å; Y116-S119 PolarHBondContact O-N 3.26Å; Y116-S119 VanDerWaalsContact O-N 3.11Å; Y116-S119 PolarHBondContact O-OG 3.3Å; M117-S119 VanDerWaalsContact C-N 3.34Å; S119-R121 PolarHBondContact O-N 2.93Å; S119-G122 PolarHBondContact O-N 3.26Å; S119-C123 PolarHBondContact N-O 3.02Å
120L95Very high88Confident76 Ų7662.6 Ų62.640%0.39834%0.337SS..Hα-helixtrans-60.9-23.4171.4-69.6-179.6000113.1D48 F50 Y116 M117 L118D48-L120 HydrophobicContact CB-CD1 4.18Å; D48-L120 HydrophobicContact CB-CD2 3.99Å; F50-L120 HydrophobicContact CD2-CD1 4.28Å; F50-L120 HydrophobicContact CE2-CD1 4.1Å; Y116-L120 HydrophobicContact CD1-CD1 4.16Å; Y116-L120 HydrophobicContact CD1-CG 4.48Å; Y116-L120 HydrophobicContact CE1-CD1 3.62Å; Y116-L120 HydrophobicContact CE1-CD2 4.37Å; Y116-L120 HydrophobicContact CE1-CG 4.04Å; Y116-L120 HydrophobicContact CE2-CD2 4.22Å; Y116-L120 HydrophobicContact CE2-CG 4.33Å; Y116-L120 WeakPolarHBondContact O-CG 3.34Å; Y116-L120 PolarHBondContact O-N 2.87Å; M117-L120 PolarHBondContact O-N 3.46Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 2.86Å
121R94.5Very high86.4Confident134 Ų13467.5 Ų67.551%0.50636%0.357SS..THydrogen-bonded Turntrans-98.117.1174.3-58.9-52.6-164.276.412.2113.2M117 L118 S119 C123 D189 L191M117-R121 PolarHBondContact O-N 2.92Å; L118-R121 CarbonylContact O-C 3.46Å; L118-R121 WeakPolarHBondContact O-CA 3.3Å; L118-R121 PolarHBondContact O-N 2.92Å; S119-R121 PolarHBondContact O-N 2.93Å; R121-C123 PolarHBondContact O-N 2.94Å; R121-D189 IonicContact CZ-OD1 3.11Å; R121-D189 VanDerWaalsContact CZ-OD1 3.31Å; R121-D189 IonicContact CZ-OD2 3.32Å; R121-D189 IonicContact NH1-OD1 2.68Å; R121-D189 PolarHBondContact NH1-OD1 3.13Å; R121-D189 IonicContact NH1-OD2 3.46Å; R121-D189 PolarHBondContact NH1-OD2 3.36Å; R121-D189 IonicContact NH2-OD1 3.59Å; R121-D189 PolarHBondContact NH2-OD1 3.04Å; R121-L191 HydrophobicContact CB-CD1 3.98Å; R121-L191 HydrophobicContact CB-CD2 4.08Å; R121-L191 HydrophobicContact CG-CD2 4.14Å
122G92.8Very high85.1Confident67 Ų6771.3 Ų71.369%0.69138%0.382SS*.THydrogen-bonded Turntrans72.56.9-179.800000114.3L118 S119L118-G122 PolarHBondContact O-N 3.02Å; S119-G122 PolarHBondContact O-N 3.26Å
123C90.8Very high84.3Confident19 Ų1971.4 Ų71.413%0.12838%0.382CS..  trans-92.8101177.9-75.30000110.1L118 S119 R121 K195L118-C123 CarbonylContact C-O 3.17Å; L118-C123 HydrophobicContact CB-CB 4.05Å; L118-C123 WeakPolarHBondContact CB-O 3.49Å; L118-C123 HydrophobicContact CD2-CB 4.1Å; L118-C123 WeakPolarHBondContact O-CA 3.46Å; L118-C123 WeakPolarHBondContact O-CB 3.28Å; L118-C123 PolarHBondContact O-N 2.88Å; S119-C123 PolarHBondContact N-O 3.02Å; R121-C123 PolarHBondContact O-N 2.94Å; C123-K195 VanDerWaalsContact CB-CE 3.44Å; C123-K195 WeakPolarHBondContact SG-CE 3.3Å; C123-K195 PolarHBondContact SG-NZ 3.11Å
124R86.2Confident83.9Confident227 Ų22771.9 Ų71.986%0.85739%0.386SS*.PPolyproline II helixtrans-83.4134.2173.1-64.8-175.3179.7-168.5-0.7110.1
125M83.7Confident83.7Confident33 Ų3374.2 Ų74.216%0.16340%0.402CS..PPolyproline II helixtrans-85.6127.3168.6-64.1-63.6-6500107.9I115 L118 K195 V198 S199I115-M125 HydrophobicContact CG1-CG 4.32Å; I115-M125 HydrophobicContact CG2-CG 4.43Å; L118-M125 HydrophobicContact CD1-CG 3.97Å; L118-M125 HydrophobicContact CD1-SD 3.6Å; M125-K195 HydrophobicContact SD-CB 4.32Å; M125-K195 HydrophobicContact SD-CG 3.9Å; M125-V198 HydrophobicContact CE-CB 3.99Å; M125-V198 HydrophobicContact CE-CG1 3.55Å; M125-V198 HydrophobicContact CG-CG1 4.24Å; M125-V198 HydrophobicContact SD-CG1 4.2Å; M125-S199 WeakPolarHBondContact CE-OG 3.46Å
126E75.8Confident83.6Confident129 Ų12976 Ų7660%0.60342%0.418SS*.PPolyproline II helixtrans-67.6140.5173.7-65.6-177.1174.500110.3N129 K202E126-N129 HydrophobicContact CB-CB 4.47Å; E126-K202 PolarHBondContact O-NZ 2.65Å
127E68.1Low83.5Confident197 Ų19781 Ų8192%0.92144%0.442SS*.SBendtrans-78.8119.3169.9-67.2179.7-179.600108.1
128G62.4Low83.4Confident77 Ų7780.8 Ų80.879%0.79444%0.441SS*.SBendtrans95.2-19.6173.100000116.8
129N62.5Low83.4Confident71 Ų7183.4 Ų83.438%0.3845%0.454SS..  trans-109.564179.5-162.37.3000113.2E126 Q131E126-N129 HydrophobicContact CB-CB 4.47Å; N129-Q131 VanDerWaalsContact C-N 3.31Å
130N66.4Low83.4Confident28 Ų2885.5 Ų85.515%0.1546%0.459CS..  trans-80.1-12.6178.6-57.4-31.9000113.1K202 F203N130-K202 VanDerWaalsContact CG-CD 3.5Å; N130-K202 VanDerWaalsContact ND2-CD 3.32Å; N130-K202 WeakPolarHBondContact ND2-CD 3.33Å; N130-K202 WeakPolarHBondContact OD1-CD 3.49Å; N130-K202 PolarHBondContact OD1-NZ 3.5Å; N130-F203 HydrophobicContact CB-CD2 4.37Å; N130-F203 HydrophobicContact CB-CE2 3.64Å; N130-F203 HydrophobicContact CB-CZ 4.09Å
131Q63.4Low83.5Confident128 Ų12884.9 Ų84.960%0.59845%0.454SS*.G310 helixtrans-71.1-34.8-168.2-67-178.316.500113.2N129 S133 V134 L139 F203N129-Q131 VanDerWaalsContact C-N 3.31Å; Q131-S133 PolarHBondContact O-N 3.25Å; Q131-S133 VanDerWaalsContact O-N 3.15Å; Q131-V134 PolarHBondContact O-N 3.25Å; Q131-L139 HydrophobicContact CG-CD2 4.44Å; Q131-F203 HydrophobicContact CG-CZ 4.11Å
132T69.2Low83.6Confident109 Ų10979 Ų7967%0.66943%0.433SS*.G310 helixtrans-70.3-10.6-175.453.70000114
133S80.8Confident83.8Confident38 Ų3879.9 Ų79.927%0.26642%0.422SS..G310 helixtrans-104.3-2.5-174.9-55.90000114.2Q131 T196Q131-S133 PolarHBondContact O-N 3.25Å; Q131-S133 VanDerWaalsContact O-N 3.15Å; S133-T196 WeakPolarHBondContact O-CA 3.38Å; S133-T196 WeakPolarHBondContact O-CB 3.4Å; S133-T196 VanDerWaalsContact O-CG2 3.29Å; S133-T196 WeakPolarHBondContact O-CG2 3.42Å; S133-T196 PolarHBondContact O-OG1 2.9Å
134V89.5Confident84.1Confident18 Ų1884.4 Ų84.411%0.10944%0.441CS..SBendtrans-123.6159.4-174.3-62.10000111.4Q131 F138 L139 E200 F203Q131-V134 PolarHBondContact O-N 3.25Å; V134-F138 HydrophobicContact CB-CD1 3.77Å; V134-F138 HydrophobicContact CB-CE1 4.38Å; V134-F138 HydrophobicContact CB-CG 4.36Å; V134-F138 HydrophobicContact CG1-CD1 4.14Å; V134-F138 HydrophobicContact CG1-CE1 4.29Å; V134-F138 HydrophobicContact CG2-CD1 3.89Å; V134-F138 HydrophobicContact CG2-CE1 4.44Å; V134-L139 HydrophobicContact CG2-CD1 4.25Å; V134-L139 HydrophobicContact CG2-CD2 3.65Å; V134-L139 HydrophobicContact CG2-CG 3.78Å; V134-E200 HydrophobicContact CG1-CG 3.71Å; V134-F203 HydrophobicContact CG2-CE2 4.08Å
135S93.4Very high84.7Confident49 Ų4974.4 Ų74.434%0.34341%0.407SS..  trans-77.8156.1-176.487.50000112.8E137 F138 L139S135-E137 VanDerWaalsContact CB-OE2 3.26Å; S135-E137 WeakPolarHBondContact CB-OE2 3.49Å; S135-E137 PolarHBondContact O-N 3.09Å; S135-E137 PolarHBondContact OG-N 2.94Å; S135-E137 PolarHBondContact OG-OE2 3.26Å; S135-F138 WeakPolarHBondContact O-CB 3.33Å; S135-F138 PolarHBondContact O-N 3.39Å; S135-F138 PolarHBondContact OG-N 3.46Å; S135-L139 PolarHBondContact O-N 3.44Å
136P94Very high85.3Confident94 Ų9475 Ų7561%0.6141%0.41SS*.Hα-helixtrans-56.3-37.6172.9-25.835.7000113.4L139 M140P136-L139 PolarHBondContact O-N 2.9Å; P136-M140 PolarHBondContact O-N 3.4Å
137E95.8Very high86.4Confident135 Ų13574.3 Ų74.363%0.63141%0.408SS*.Hα-helixtrans-64.8-41178.5-58.971.1-152.700111.1S135 M140 E141S135-E137 VanDerWaalsContact CB-OE2 3.26Å; S135-E137 WeakPolarHBondContact CB-OE2 3.49Å; S135-E137 PolarHBondContact O-N 3.09Å; S135-E137 PolarHBondContact OG-N 2.94Å; S135-E137 PolarHBondContact OG-OE2 3.26Å; E137-M140 PolarHBondContact O-N 3.39Å; E137-E141 PolarHBondContact O-N 2.95Å
138F95.8Very high87.8Confident12 Ų1267.7 Ų67.75%0.05338%0.377CS..Hα-helixtrans-64.1-42.3174.6177.3-88.6000111.8V134 S135 M140 E141 V142 E200 F203 Y204V134-F138 HydrophobicContact CB-CD1 3.77Å; V134-F138 HydrophobicContact CB-CE1 4.38Å; V134-F138 HydrophobicContact CB-CG 4.36Å; V134-F138 HydrophobicContact CG1-CD1 4.14Å; V134-F138 HydrophobicContact CG1-CE1 4.29Å; V134-F138 HydrophobicContact CG2-CD1 3.89Å; V134-F138 HydrophobicContact CG2-CE1 4.44Å; S135-F138 WeakPolarHBondContact O-CB 3.33Å; S135-F138 PolarHBondContact O-N 3.39Å; S135-F138 PolarHBondContact OG-N 3.46Å; F138-M140 VanDerWaalsContact C-N 3.29Å; F138-M140 PolarHBondContact O-N 3.13Å; F138-E141 WeakPolarHBondContact O-CB 3.47Å; F138-E141 PolarHBondContact O-N 3.13Å; F138-V142 HydrophobicContact CD1-CG2 4.14Å; F138-V142 HydrophobicContact CE1-CG2 3.57Å; F138-V142 HydrophobicContact CE2-CG2 4.48Å; F138-V142 HydrophobicContact CZ-CG2 3.76Å; F138-V142 WeakPolarHBondContact O-CG2 3.4Å; F138-V142 PolarHBondContact O-N 3.41Å; F138-E200 HydrophobicContact CD1-CG 4.35Å; F138-E200 HydrophobicContact CD2-CB 4.41Å; F138-E200 HydrophobicContact CD2-CG 3.84Å; F138-E200 HydrophobicContact CE1-CB 4.3Å; F138-E200 HydrophobicContact CE1-CG 4.13Å; F138-E200 HydrophobicContact CE2-CB 3.61Å; F138-E200 HydrophobicContact CE2-CG 3.54Å; F138-E200 HydrophobicContact CG-CG 4.24Å; F138-E200 VanDerWaalsContact CZ-CA 3.44Å; F138-E200 HydrophobicContact CZ-CB 3.58Å; F138-E200 HydrophobicContact CZ-CG 3.74Å; F138-F203 HydrophobicContact CE1-CB 3.83Å; F138-F203 AromaticContact CE1-CD2 3.65Å; F138-F203 HydrophobicContact CE1-CD2 3.65Å; F138-F203 HydrophobicContact CE1-CE2 4.44Å; F138-F203 AromaticContact CE1-CG 3.92Å; F138-F203 HydrophobicContact CE1-CG 3.92Å; F138-F203 HydrophobicContact CZ-CB 3.9Å; F138-F203 HydrophobicContact CZ-CD2 4.41Å; F138-F203 HydrophobicContact CZ-CG 4.48Å; F138-Y204 AromaticContact CE2-CE1 3.85Å; F138-Y204 HydrophobicContact CE2-CE1 3.85Å; F138-Y204 AromaticContact CE2-CE2 3.73Å; F138-Y204 HydrophobicContact CE2-CE2 3.73Å; F138-Y204 AromaticContact CE2-CZ 3.36Å; F138-Y204 WeakPolarHBondContact CE2-OH 3.29Å; F138-Y204 HydrophobicContact CZ-CE1 4.12Å; F138-Y204 HydrophobicContact CZ-CE2 4.26Å
139L95.1Very high89.5Confident54 Ų5464 Ų6428%0.28334%0.339SS..Hα-helixtrans-63.1-38.2177.2-70.3169.9000111.7Q131 V134 S135 P136 V142 L143 F203Q131-L139 HydrophobicContact CG-CD2 4.44Å; V134-L139 HydrophobicContact CG2-CD1 4.25Å; V134-L139 HydrophobicContact CG2-CD2 3.65Å; V134-L139 HydrophobicContact CG2-CG 3.78Å; S135-L139 PolarHBondContact O-N 3.44Å; P136-L139 PolarHBondContact O-N 2.9Å; L139-V142 PolarHBondContact O-N 2.9Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 PolarHBondContact O-N 3.01Å; L139-F203 HydrophobicContact CD2-CE1 4.45Å; L139-F203 HydrophobicContact CD2-CE2 4.28Å; L139-F203 HydrophobicContact CD2-CZ 3.93Å
140M96.3Very high91.2Very high100 Ų10065.1 Ų65.149%0.49335%0.345SS..Hα-helixtrans-63.2-46.5173.8-17062.167.400111.4P136 E137 F138 V142 L143 E144P136-M140 PolarHBondContact O-N 3.4Å; E137-M140 PolarHBondContact O-N 3.39Å; F138-M140 VanDerWaalsContact C-N 3.29Å; F138-M140 PolarHBondContact O-N 3.13Å; M140-V142 VanDerWaalsContact C-N 3.27Å; M140-V142 PolarHBondContact O-N 3.41Å; M140-L143 WeakPolarHBondContact O-CB 3.19Å; M140-L143 PolarHBondContact O-N 3.25Å; M140-L143 VanDerWaalsContact O-N 3.09Å; M140-L143 HydrophobicContact SD-CD2 4.26Å; M140-E144 HydrophobicContact CG-CG 4.35Å; M140-E144 WeakPolarHBondContact O-CG 3.4Å; M140-E144 PolarHBondContact O-N 3.39Å; M140-E144 HydrophobicContact SD-CG 4.49Å
141E96.7Very high92.6Very high63 Ų6367.7 Ų67.729%0.29437%0.365SS..Hα-helixtrans-55.2-43.1175.9-178.8-166.2132.800111.9E137 F138 A145 K174 Y204E137-E141 PolarHBondContact O-N 2.95Å; F138-E141 WeakPolarHBondContact O-CB 3.47Å; F138-E141 PolarHBondContact O-N 3.13Å; E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.17Å; E141-A145 PolarHBondContact O-N 2.81Å; E141-K174 VanDerWaalsContact CD-NZ 3.34Å; E141-K174 VanDerWaalsContact OE1-CE 3.3Å; E141-K174 WeakPolarHBondContact OE1-CE 3.38Å; E141-K174 IonicContact OE1-NZ 3.09Å; E141-K174 PolarHBondContact OE1-NZ 3.24Å; E141-Y204 WeakPolarHBondContact OE1-CE1 3.32Å; E141-Y204 PolarHBondContact OE1-OH 3.19Å
142V96.4Very high94.2Very high10 Ų1062.5 Ų62.56%0.06134%0.341CS..Hα-helixtrans-68.7-37.5178.2171.10000111.8F138 L139 M140 N146 F203 L207F138-V142 HydrophobicContact CD1-CG2 4.14Å; F138-V142 HydrophobicContact CE1-CG2 3.57Å; F138-V142 HydrophobicContact CE2-CG2 4.48Å; F138-V142 HydrophobicContact CZ-CG2 3.76Å; F138-V142 WeakPolarHBondContact O-CG2 3.4Å; F138-V142 PolarHBondContact O-N 3.41Å; L139-V142 PolarHBondContact O-N 2.9Å; M140-V142 VanDerWaalsContact C-N 3.27Å; M140-V142 PolarHBondContact O-N 3.41Å; V142-N146 PolarHBondContact O-N 3.39Å; V142-N146 VanDerWaalsContact O-N 3.08Å; V142-N146 PolarHBondContact O-ND2 3.06Å; V142-F203 HydrophobicContact CG1-CB 4.41Å; V142-F203 HydrophobicContact CG1-CD1 3.86Å; V142-F203 HydrophobicContact CG1-CG 4.46Å; V142-F203 HydrophobicContact CG2-CB 3.97Å; V142-F203 HydrophobicContact CG2-CG 4.38Å; V142-L207 HydrophobicContact CB-CD1 4.43Å; V142-L207 HydrophobicContact CG1-CD1 4.12Å; V142-L207 HydrophobicContact CG1-CG 4.42Å; V142-L207 HydrophobicContact CG2-CD1 4.22Å
143L96.8Very high95.4Very high86 Ų8661.6 Ų61.645%0.4533%0.332SS..Hα-helixtrans-64.6-52176.1178.864.1000110.9L139 M140 A145 N146 E147L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 PolarHBondContact O-N 3.01Å; M140-L143 WeakPolarHBondContact O-CB 3.19Å; M140-L143 PolarHBondContact O-N 3.25Å; M140-L143 VanDerWaalsContact O-N 3.09Å; M140-L143 HydrophobicContact SD-CD2 4.26Å; L143-A145 VanDerWaalsContact C-N 3.3Å; L143-A145 PolarHBondContact O-N 3.29Å; L143-N146 WeakPolarHBondContact O-CB 3.29Å; L143-N146 PolarHBondContact O-N 3.4Å; L143-E147 PolarHBondContact O-N 2.96Å
144E98.2Very high96Very high115 Ų11561.1 Ų61.154%0.53733%0.328SS..Hα-helixtrans-57.3-43.8178.1-71.2175.1177.700111.4M140 N146 E147 E148M140-E144 HydrophobicContact CG-CG 4.35Å; M140-E144 WeakPolarHBondContact O-CG 3.4Å; M140-E144 PolarHBondContact O-N 3.39Å; M140-E144 HydrophobicContact SD-CG 4.49Å; E144-N146 VanDerWaalsContact C-N 3.32Å; E144-N146 PolarHBondContact O-N 3.06Å; E144-E147 PolarHBondContact O-N 3.07Å; E144-E148 WeakPolarHBondContact O-CB 3.43Å; E144-E148 PolarHBondContact O-N 2.66Å
145A98Very high96.2Very high17 Ų1764.9 Ų64.914%0.1435%0.351CS..Hα-helixtrans-61.9-39.3175.800000112.3E141 L143 I149 L207E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.17Å; E141-A145 PolarHBondContact O-N 2.81Å; L143-A145 VanDerWaalsContact C-N 3.3Å; L143-A145 PolarHBondContact O-N 3.29Å; A145-I149 VanDerWaalsContact O-CD1 3.29Å; A145-I149 WeakPolarHBondContact O-CD1 3.18Å; A145-I149 WeakPolarHBondContact O-CG1 3.43Å; A145-I149 PolarHBondContact O-N 2.69Å; A145-L207 HydrophobicContact CB-CD1 4.02Å; A145-L207 HydrophobicContact CB-CD2 4.12Å
146N97.6Very high96.2Very high44 Ų4466.8 Ų66.824%0.23537%0.369CS..Hα-helixtrans-64.8-46.4175.7-85.6-61.1000112.1V142 L143 E144 E148 I149 D150 L207 R210V142-N146 PolarHBondContact O-N 3.39Å; V142-N146 VanDerWaalsContact O-N 3.08Å; V142-N146 PolarHBondContact O-ND2 3.06Å; L143-N146 WeakPolarHBondContact O-CB 3.29Å; L143-N146 PolarHBondContact O-N 3.4Å; E144-N146 VanDerWaalsContact C-N 3.32Å; E144-N146 PolarHBondContact O-N 3.06Å; N146-E148 VanDerWaalsContact C-N 3.33Å; N146-E148 PolarHBondContact O-N 3.38Å; N146-I149 PolarHBondContact O-N 2.95Å; N146-D150 PolarHBondContact O-N 2.99Å; N146-L207 HydrophobicContact CB-CD2 4.41Å; N146-L207 VanDerWaalsContact CG-CD2 3.45Å; N146-L207 WeakPolarHBondContact ND2-CD2 3.34Å; N146-L207 VanDerWaalsContact OD1-CD2 3.31Å; N146-L207 WeakPolarHBondContact OD1-CD2 3.26Å; N146-R210 PolarHBondContact O-NH2 3.11Å; N146-R210 PolarHBondContact OD1-NE 3.18Å; N146-R210 VanDerWaalsContact OD1-NE 3.14Å
147E98.1Very high96.1Very high116 Ų11666 Ų6654%0.54238%0.378SS..Hα-helixtrans-61.6-42.4178.5-69.9178.9172.400111.3L143 E144 D150 S151L143-E147 PolarHBondContact O-N 2.96Å; E144-E147 PolarHBondContact O-N 3.07Å; E147-D150 PolarHBondContact O-N 2.98Å; E147-S151 PolarHBondContact O-N 3.49Å
148E98.1Very high96.1Very high58 Ų5861.1 Ų61.127%0.27136%0.359SS..Hα-helixtrans-60.8-47175.2-175.7173.4-164.700111E144 N146 D150 S151 L152 R163 M167E144-E148 WeakPolarHBondContact O-CB 3.43Å; E144-E148 PolarHBondContact O-N 2.66Å; N146-E148 VanDerWaalsContact C-N 3.33Å; N146-E148 PolarHBondContact O-N 3.38Å; E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 2.86Å; E148-S151 PolarHBondContact O-N 2.73Å; E148-S151 VanDerWaalsContact O-N 3.12Å; E148-S151 PolarHBondContact O-OG 3.47Å; E148-L152 HydrophobicContact CG-CD1 4.01Å; E148-L152 VanDerWaalsContact O-CG 3.32Å; E148-L152 WeakPolarHBondContact O-CG 3.11Å; E148-L152 PolarHBondContact O-N 2.83Å; E148-R163 IonicContact OE1-CZ 3.15Å; E148-R163 IonicContact OE1-NE 2.68Å; E148-R163 PolarHBondContact OE1-NE 2.93Å; E148-R163 IonicContact OE1-NH2 2.77Å; E148-R163 PolarHBondContact OE1-NH2 3.17Å; E148-R163 IonicContact OE2-NH2 3.83Å; E148-R163 PolarHBondContact OE2-NH2 3.32Å; E148-R163 VanDerWaalsContact OE2-NH2 3.16Å; E148-M167 HydrophobicContact CB-CE 3.88Å; E148-M167 HydrophobicContact CG-CE 3.79Å; E148-M167 HydrophobicContact CG-SD 3.79Å; E148-M167 WeakPolarHBondContact OE2-CE 3.48Å
149I97.5Very high96.2Very high0 Ų064.2 Ų64.20%039%0.387CS..Hα-helixtrans-58.5-37.2175.7-65.9160.1000112A145 N146 L164 M167 L207 R210 L211 K214A145-I149 VanDerWaalsContact O-CD1 3.29Å; A145-I149 WeakPolarHBondContact O-CD1 3.18Å; A145-I149 WeakPolarHBondContact O-CG1 3.43Å; A145-I149 PolarHBondContact O-N 2.69Å; N146-I149 PolarHBondContact O-N 2.95Å; I149-L164 HydrophobicContact CG2-CD2 4.49Å; I149-M167 HydrophobicContact CD1-CE 4.42Å; I149-M167 HydrophobicContact CG1-CE 3.76Å; I149-M167 HydrophobicContact CG1-SD 4.39Å; I149-L207 HydrophobicContact CD1-CD2 3.92Å; I149-R210 HydrophobicContact CG2-CG 4.39Å; I149-L211 HydrophobicContact CD1-CD1 4.23Å; I149-L211 HydrophobicContact CD1-CD2 4.04Å; I149-L211 HydrophobicContact CD1-CG 3.66Å; I149-L211 HydrophobicContact CG1-CD2 3.67Å; I149-L211 HydrophobicContact CG1-CG 3.9Å; I149-L211 HydrophobicContact CG2-CD2 4.38Å; I149-K214 HydrophobicContact CG2-CB 4.32Å; I149-K214 HydrophobicContact CG2-CD 4.49Å; I149-K214 HydrophobicContact CG2-CG 4.19Å; I149-K214 VanDerWaalsContact O-CE 3.26Å; I149-K214 WeakPolarHBondContact O-CE 3.31Å; I149-K214 PolarHBondContact O-NZ 3.46Å
150D97Very high96.3Very high94 Ų9464 Ų6450%0.50339%0.386SS..Hα-helixtrans-67.3-39.6177.6-82.4-30.7000111.9N146 E147 E148 L152 R210 K214N146-D150 PolarHBondContact O-N 2.99Å; E147-D150 PolarHBondContact O-N 2.98Å; E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 2.86Å; D150-L152 VanDerWaalsContact C-N 3.32Å; D150-L152 PolarHBondContact O-N 3.5Å; D150-R210 IonicContact OD1-CZ 2.9Å; D150-R210 VanDerWaalsContact OD1-CZ 3.23Å; D150-R210 IonicContact OD1-NH1 3.31Å; D150-R210 PolarHBondContact OD1-NH1 3.35Å; D150-R210 IonicContact OD1-NH2 3.41Å; D150-R210 PolarHBondContact OD1-NH2 3.08Å; D150-R210 IonicContact OD2-CZ 3.23Å; D150-R210 IonicContact OD2-NH1 2.85Å; D150-R210 IonicContact OD2-NH2 2.68Å; D150-R210 PolarHBondContact OD2-NH2 3.37Å; D150-R210 VanDerWaalsContact OD2-NH2 3.09Å; D150-K214 PolarHBondContact O-NZ 3Å
151S97Very high96.3Very high82 Ų8260.6 Ų60.657%0.57337%0.369SS*.Hα-helixtrans-70.1-23.4-176.774.50000114.8E147 E148E147-S151 PolarHBondContact O-N 3.49Å; E148-S151 PolarHBondContact O-N 2.73Å; E148-S151 VanDerWaalsContact O-N 3.12Å; E148-S151 PolarHBondContact O-OG 3.47Å
152L97.1Very high96.2Very high18 Ų1863.2 Ų63.29%0.09438%0.381CS..  trans-90143.9-174.6-64.6169.7000112.6E148 D150 D160 R163 L164 M167 K214E148-L152 HydrophobicContact CG-CD1 4.01Å; E148-L152 VanDerWaalsContact O-CG 3.32Å; E148-L152 WeakPolarHBondContact O-CG 3.11Å; E148-L152 PolarHBondContact O-N 2.83Å; D150-L152 VanDerWaalsContact C-N 3.32Å; D150-L152 PolarHBondContact O-N 3.5Å; L152-D160 HydrophobicContact CB-CB 4.26Å; L152-D160 HydrophobicContact CD2-CB 4.01Å; L152-R163 HydrophobicContact CD1-CB 4.08Å; L152-R163 HydrophobicContact CD1-CG 3.59Å; L152-R163 HydrophobicContact CD2-CB 4.35Å; L152-R163 HydrophobicContact CD2-CG 4.22Å; L152-L164 HydrophobicContact CB-CD1 4.22Å; L152-L164 HydrophobicContact CB-CD2 3.93Å; L152-L164 HydrophobicContact CB-CG 3.94Å; L152-L164 HydrophobicContact CD1-CD2 3.81Å; L152-L164 HydrophobicContact CD1-CG 3.95Å; L152-M167 HydrophobicContact CD1-SD 3.84Å; L152-K214 WeakPolarHBondContact O-CE 3.47Å; L152-K214 PolarHBondContact O-NZ 2.65Å
153N94.5Very high96.3Very high91 Ų9166.3 Ų66.349%0.48739%0.392SS..  trans-107.3128.4176.6-62.5-70.5000112.2V155 D160N153-V155 HydrophobicContact CB-CG2 4.29Å; N153-V155 PolarHBondContact O-N 3.28Å; N153-D160 PolarHBondContact N-OD2 3.42Å; N153-D160 WeakPolarHBondContact O-CB 3.49Å
154P93.1Very high96.3Very high28 Ų2862.2 Ų62.218%0.18237%0.37CS..  trans-78.633.3-175.235.1-39.5000114.1A156 L164 K214 S217P154-A156 PolarHBondContact O-N 3.39Å; P154-L164 HydrophobicContact CB-CD1 4.03Å; P154-K214 WeakPolarHBondContact CB-O 3.09Å; P154-K214 VanDerWaalsContact CG-O 3.22Å; P154-K214 WeakPolarHBondContact CG-O 3.22Å; P154-S217 WeakPolarHBondContact CB-OXT 3.37Å; P154-S217 WeakPolarHBondContact CG-OXT 3.17Å
155V94.7Very high96.2Very high96 Ų9663.4 Ų63.458%0.58237%0.37SS*.  trans-66.6123.6-179178.40000109.6N153 G157 S158 E161N153-V155 HydrophobicContact CB-CG2 4.29Å; N153-V155 PolarHBondContact O-N 3.28Å; V155-G157 PolarHBondContact O-N 2.96Å; V155-S158 WeakPolarHBondContact O-CB 3.47Å; V155-S158 PolarHBondContact O-N 2.68Å; V155-S158 PolarHBondContact O-OG 3.43Å; V155-E161 WeakPolarHBondContact O-CB 3.29Å
156A92.8Very high96.2Very high89 Ų8966.1 Ų66.174%0.73638%0.38SS*.THydrogen-bonded Turntrans-53.6126-177.700000112.5P154 S158 E161P154-A156 PolarHBondContact O-N 3.39Å; A156-S158 VanDerWaalsContact C-N 3.31Å; A156-E161 VanDerWaalsContact CA-OE2 3.28Å; A156-E161 WeakPolarHBondContact CA-OE2 3.44Å
157G92.3Very high96.2Very high77 Ų7764.5 Ų64.579%0.79437%0.371SS*.THydrogen-bonded Turntrans79.74.7-179.100000115.2V155 E161V155-G157 PolarHBondContact O-N 2.96Å; G157-E161 PolarHBondContact N-OE2 2.71Å
158S95.7Very high96.2Very high33 Ų3362.1 Ų62.123%0.23136%0.359CS..SBendtrans-80.4160.1175.769.70000112.6V155 A156 D160 E161 Q162V155-S158 WeakPolarHBondContact O-CB 3.47Å; V155-S158 PolarHBondContact O-N 2.68Å; V155-S158 PolarHBondContact O-OG 3.43Å; A156-S158 VanDerWaalsContact C-N 3.31Å; S158-D160 PolarHBondContact O-N 3.13Å; S158-E161 PolarHBondContact O-N 2.9Å; S158-E161 PolarHBondContact OG-N 2.98Å; S158-E161 VanDerWaalsContact OG-N 3.08Å; S158-Q162 PolarHBondContact O-N 3.31Å
159A96.9Very high96.1Very high77 Ų7765 Ų6564%0.63638%0.375SS*.Hα-helixtrans-60.9-34.4170.300000111.8Q162 R163A159-Q162 PolarHBondContact O-N 2.96Å; A159-R163 WeakPolarHBondContact O-CB 3.33Å; A159-R163 PolarHBondContact O-N 3.39Å
160D97.3Very high96.1Very high51 Ų5169.4 Ų69.427%0.27340%0.396SS..Hα-helixtrans-64-44177.2-71.113000111.9L152 N153 S158 Q162 R163 L164L152-D160 HydrophobicContact CB-CB 4.26Å; L152-D160 HydrophobicContact CD2-CB 4.01Å; N153-D160 PolarHBondContact N-OD2 3.42Å; N153-D160 WeakPolarHBondContact O-CB 3.49Å; S158-D160 PolarHBondContact O-N 3.13Å; D160-Q162 VanDerWaalsContact C-N 3.33Å; D160-Q162 PolarHBondContact O-N 3.13Å; D160-R163 PolarHBondContact O-N 3.32Å; D160-L164 WeakPolarHBondContact O-CG 3.33Å; D160-L164 PolarHBondContact O-N 3.05Å
161E95.8Very high96.1Very high28 Ų2865.4 Ų65.413%0.13137%0.374CS..Hα-helixtrans-61.6-42.7175.4-169.9-161.2-177.500111.1V155 A156 G157 S158 R163 L164 R165V155-E161 WeakPolarHBondContact O-CB 3.29Å; A156-E161 VanDerWaalsContact CA-OE2 3.28Å; A156-E161 WeakPolarHBondContact CA-OE2 3.44Å; G157-E161 PolarHBondContact N-OE2 2.71Å; S158-E161 PolarHBondContact O-N 2.9Å; S158-E161 PolarHBondContact OG-N 2.98Å; S158-E161 VanDerWaalsContact OG-N 3.08Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 2.93Å; E161-L164 PolarHBondContact O-N 2.94Å; E161-R165 WeakPolarHBondContact O-CG 3.24Å; E161-R165 PolarHBondContact O-N 3.29Å; E161-R165 IonicContact OE1-CZ 3.85Å; E161-R165 VanDerWaalsContact OE1-CZ 3.28Å; E161-R165 IonicContact OE1-NE 2.71Å; E161-R165 PolarHBondContact OE1-NE 3Å; E161-R165 IonicContact OE1-NH2 3.95Å; E161-R165 PolarHBondContact OE1-NH2 2.84Å
162Q96.3Very high96.1Very high117 Ų11763.7 Ų63.755%0.54736%0.36SS..Hα-helixtrans-59.9-45.2174.8-178.1179.6-19.800110.9S158 A159 D160 L164 R165 E166S158-Q162 PolarHBondContact O-N 3.31Å; A159-Q162 PolarHBondContact O-N 2.96Å; D160-Q162 VanDerWaalsContact C-N 3.33Å; D160-Q162 PolarHBondContact O-N 3.13Å; Q162-L164 PolarHBondContact O-N 3.38Å; Q162-R165 WeakPolarHBondContact O-CB 3.44Å; Q162-R165 PolarHBondContact O-N 3.23Å; Q162-E166 PolarHBondContact NE2-OE1 2.89Å; Q162-E166 WeakPolarHBondContact O-CG 3.44Å; Q162-E166 PolarHBondContact O-N 3.19Å
163R97.6Very high96.2Very high76 Ų7667.1 Ų67.129%0.28738%0.379SS..Hα-helixtrans-61.3-44.6178-178.158.6-179.6166.44.7112.2E148 L152 A159 D160 E161 R165 E166 M167E148-R163 IonicContact OE1-CZ 3.15Å; E148-R163 IonicContact OE1-NE 2.68Å; E148-R163 PolarHBondContact OE1-NE 2.93Å; E148-R163 IonicContact OE1-NH2 2.77Å; E148-R163 PolarHBondContact OE1-NH2 3.17Å; E148-R163 IonicContact OE2-NH2 3.83Å; E148-R163 PolarHBondContact OE2-NH2 3.32Å; E148-R163 VanDerWaalsContact OE2-NH2 3.16Å; L152-R163 HydrophobicContact CD1-CB 4.08Å; L152-R163 HydrophobicContact CD1-CG 3.59Å; L152-R163 HydrophobicContact CD2-CB 4.35Å; L152-R163 HydrophobicContact CD2-CG 4.22Å; A159-R163 WeakPolarHBondContact O-CB 3.33Å; A159-R163 PolarHBondContact O-N 3.39Å; D160-R163 PolarHBondContact O-N 3.32Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 2.93Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 3.31Å; R163-E166 IonicContact NH1-OE2 3.39Å; R163-E166 WeakPolarHBondContact O-CB 3.44Å; R163-E166 PolarHBondContact O-N 3.46Å; R163-E166 VanDerWaalsContact O-N 3.16Å; R163-M167 HydrophobicContact CG-SD 4.43Å; R163-M167 WeakPolarHBondContact O-CG 3.1Å; R163-M167 PolarHBondContact O-N 3.06Å
164L97.4Very high96.4Very high0 Ų066.1 Ų66.10%037%0.37CS..Hα-helixtrans-58.1-40.8174.9-72.2168.2000111.8I149 L152 P154 D160 E161 Q162 K168 L211 K214 I215I149-L164 HydrophobicContact CG2-CD2 4.49Å; L152-L164 HydrophobicContact CB-CD1 4.22Å; L152-L164 HydrophobicContact CB-CD2 3.93Å; L152-L164 HydrophobicContact CB-CG 3.94Å; L152-L164 HydrophobicContact CD1-CD2 3.81Å; L152-L164 HydrophobicContact CD1-CG 3.95Å; P154-L164 HydrophobicContact CB-CD1 4.03Å; D160-L164 WeakPolarHBondContact O-CG 3.33Å; D160-L164 PolarHBondContact O-N 3.05Å; E161-L164 PolarHBondContact O-N 2.94Å; Q162-L164 PolarHBondContact O-N 3.38Å; L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 PolarHBondContact O-N 3.33Å; L164-L211 HydrophobicContact CB-CD2 4.37Å; L164-L211 HydrophobicContact CD2-CD2 3.59Å; L164-K214 HydrophobicContact CD1-CG 4.2Å; L164-K214 HydrophobicContact CD2-CG 4.2Å; L164-I215 HydrophobicContact CB-CD1 4.14Å; L164-I215 HydrophobicContact CB-CG1 3.89Å; L164-I215 HydrophobicContact CD1-CG1 4.43Å
165R95.7Very high96.6Very high140 Ų14066.1 Ų66.153%0.52837%0.368SS..Hα-helixtrans-67.2-39.5176.2-69.6173.4-179.1-148.13.8112.1E161 Q162 R163 K168 L169E161-R165 WeakPolarHBondContact O-CG 3.24Å; E161-R165 PolarHBondContact O-N 3.29Å; E161-R165 IonicContact OE1-CZ 3.85Å; E161-R165 VanDerWaalsContact OE1-CZ 3.28Å; E161-R165 IonicContact OE1-NE 2.71Å; E161-R165 PolarHBondContact OE1-NE 3Å; E161-R165 IonicContact OE1-NH2 3.95Å; E161-R165 PolarHBondContact OE1-NH2 2.84Å; Q162-R165 WeakPolarHBondContact O-CB 3.44Å; Q162-R165 PolarHBondContact O-N 3.23Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 3.31Å; R165-K168 WeakPolarHBondContact O-CB 3.4Å; R165-K168 PolarHBondContact O-N 3.19Å; R165-L169 WeakPolarHBondContact O-CG 3.26Å; R165-L169 PolarHBondContact O-N 3.15Å; R165-L169 VanDerWaalsContact O-N 3.13Å
166E97.6Very high96.7Very high74 Ų7466.5 Ų66.535%0.34636%0.362SS..Hα-helixtrans-63-47.7174.4-72.6171.4-170.300111.6Q162 R163 K168 L169 Q170Q162-E166 PolarHBondContact NE2-OE1 2.89Å; Q162-E166 WeakPolarHBondContact O-CG 3.44Å; Q162-E166 PolarHBondContact O-N 3.19Å; R163-E166 IonicContact NH1-OE2 3.39Å; R163-E166 WeakPolarHBondContact O-CB 3.44Å; R163-E166 PolarHBondContact O-N 3.46Å; R163-E166 VanDerWaalsContact O-N 3.16Å; E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.4Å; E166-L169 PolarHBondContact O-N 2.94Å; E166-L169 VanDerWaalsContact O-N 3.08Å; E166-Q170 WeakPolarHBondContact O-CG 3.46Å; E166-Q170 PolarHBondContact O-N 3.23Å
167M98Very high97Very high9 Ų964.1 Ų64.14%0.04434%0.342CS..Hα-helixtrans-57.3-40.7175.5-68.1177.179.900111.5E148 I149 L152 R163 L169 Q170 L171 L211E148-M167 HydrophobicContact CB-CE 3.88Å; E148-M167 HydrophobicContact CG-CE 3.79Å; E148-M167 HydrophobicContact CG-SD 3.79Å; E148-M167 WeakPolarHBondContact OE2-CE 3.48Å; I149-M167 HydrophobicContact CD1-CE 4.42Å; I149-M167 HydrophobicContact CG1-CE 3.76Å; I149-M167 HydrophobicContact CG1-SD 4.39Å; L152-M167 HydrophobicContact CD1-SD 3.84Å; R163-M167 HydrophobicContact CG-SD 4.43Å; R163-M167 WeakPolarHBondContact O-CG 3.1Å; R163-M167 PolarHBondContact O-N 3.06Å; M167-L169 VanDerWaalsContact C-N 3.35Å; M167-L169 PolarHBondContact O-N 3.2Å; M167-Q170 PolarHBondContact O-N 3.23Å; M167-L171 PolarHBondContact O-N 2.78Å; M167-L211 HydrophobicContact CB-CD1 4.01Å; M167-L211 HydrophobicContact CB-CD2 4.31Å
168K97.3Very high97.2Very high67 Ų6760.4 Ų60.429%0.29130%0.304SS..Hα-helixtrans-60.6-42.9175.9-176.1176.9178.7170.70112L164 R165 E166 L171 V172 F208 L211 C212 I215L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 PolarHBondContact O-N 3.33Å; R165-K168 WeakPolarHBondContact O-CB 3.4Å; R165-K168 PolarHBondContact O-N 3.19Å; E166-K168 VanDerWaalsContact C-N 3.25Å; E166-K168 PolarHBondContact O-N 3.4Å; K168-L171 PolarHBondContact O-N 2.98Å; K168-V172 WeakPolarHBondContact O-CG2 3.33Å; K168-V172 PolarHBondContact O-N 3.41Å; K168-V172 VanDerWaalsContact O-N 3.11Å; K168-F208 HydrophobicContact CD-CE2 4.25Å; K168-F208 HydrophobicContact CG-CD2 4.11Å; K168-F208 HydrophobicContact CG-CE2 3.67Å; K168-L211 HydrophobicContact CB-CD1 4.27Å; K168-C212 VanDerWaalsContact CE-SG 3.59Å; K168-C212 PolarHBondContact NZ-SG 3.48Å; K168-I215 HydrophobicContact CD-CD1 4.11Å
169L97Very high97.4Very high117 Ų11761.9 Ų61.961%0.61331%0.308SS*.Hα-helixtrans-65.4-42.2176-67.5174.4000111.6R165 E166 M167 L171 V172 D173R165-L169 WeakPolarHBondContact O-CG 3.26Å; R165-L169 PolarHBondContact O-N 3.15Å; R165-L169 VanDerWaalsContact O-N 3.13Å; E166-L169 PolarHBondContact O-N 2.94Å; E166-L169 VanDerWaalsContact O-N 3.08Å; M167-L169 VanDerWaalsContact C-N 3.35Å; M167-L169 PolarHBondContact O-N 3.2Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 3.45Å; L169-V172 WeakPolarHBondContact O-CB 3.18Å; L169-V172 PolarHBondContact O-N 2.94Å; L169-V172 VanDerWaalsContact O-N 3.16Å; L169-D173 PolarHBondContact O-N 3.45Å
170Q97.7Very high97.4Very high93 Ų9363.8 Ų63.844%0.43530%0.303SS..Hα-helixtrans-59.9-41.9176.2-69.2174.6-9.800112.2E166 M167 D173 K174E166-Q170 WeakPolarHBondContact O-CG 3.46Å; E166-Q170 PolarHBondContact O-N 3.23Å; M167-Q170 PolarHBondContact O-N 3.23Å; Q170-D173 PolarHBondContact O-N 3.08Å; Q170-K174 WeakPolarHBondContact O-CG 3.24Å; Q170-K174 PolarHBondContact O-N 3.29Å
171L97.3Very high97.5Very high10 Ų1065.2 Ų65.25%0.05231%0.305CS..Hα-helixtrans-64.7-40.1174.9-75.1-175.5000112.5M167 K168 L169 D173 K174 M175 Y204 L207 F208 L211M167-L171 PolarHBondContact O-N 2.78Å; K168-L171 PolarHBondContact O-N 2.98Å; L169-L171 VanDerWaalsContact C-N 3.33Å; L169-L171 PolarHBondContact O-N 3.45Å; L171-D173 PolarHBondContact O-N 3.32Å; L171-K174 HydrophobicContact CD2-CD 4.3Å; L171-K174 PolarHBondContact O-N 3.06Å; L171-M175 WeakPolarHBondContact O-CB 3.48Å; L171-M175 VanDerWaalsContact O-CG 3.27Å; L171-M175 WeakPolarHBondContact O-CG 3.45Å; L171-M175 PolarHBondContact O-N 3.16Å; L171-Y204 HydrophobicContact CD2-CD1 3.72Å; L171-Y204 HydrophobicContact CD2-CE1 4.31Å; L171-Y204 HydrophobicContact CD2-CG 4.44Å; L171-L207 HydrophobicContact CD1-CB 3.54Å; L171-L207 HydrophobicContact CD2-CB 4.29Å; L171-L207 HydrophobicContact CD2-CD1 4.11Å; L171-F208 HydrophobicContact CD1-CB 4.22Å; L171-L211 HydrophobicContact CD1-CD1 3.48Å; L171-L211 VanDerWaalsContact CD1-CD1 3.48Å; L171-L211 HydrophobicContact CG-CD1 4.34Å
172V97.1Very high97.6Very high46 Ų4663.9 Ų63.928%0.27930%0.299SS..Hα-helixtrans-58.5-41.3175.11680000110.7K168 L169 M175 K176 F208K168-V172 WeakPolarHBondContact O-CG2 3.33Å; K168-V172 PolarHBondContact O-N 3.41Å; K168-V172 VanDerWaalsContact O-N 3.11Å; L169-V172 WeakPolarHBondContact O-CB 3.18Å; L169-V172 PolarHBondContact O-N 2.94Å; L169-V172 VanDerWaalsContact O-N 3.16Å; V172-M175 PolarHBondContact O-N 3.11Å; V172-K176 WeakPolarHBondContact O-CG 3.32Å; V172-K176 PolarHBondContact O-N 3.41Å; V172-F208 HydrophobicContact CG2-CD2 4.19Å; V172-F208 HydrophobicContact CG2-CE2 3.62Å
173D98.1Very high97.7Very high90 Ų9062.1 Ų62.148%0.48129%0.29SS..Hα-helixtrans-71.7-37.4178.2-68.1-24.9000112.5L169 Q170 L171 M175 K176 A177L169-D173 PolarHBondContact O-N 3.45Å; Q170-D173 PolarHBondContact O-N 3.08Å; L171-D173 PolarHBondContact O-N 3.32Å; D173-M175 VanDerWaalsContact C-N 3.32Å; D173-M175 PolarHBondContact O-N 3.06Å; D173-K176 PolarHBondContact O-N 2.95Å; D173-K176 IonicContact OD1-NZ 3.8Å; D173-K176 PolarHBondContact OD1-NZ 3.36Å; D173-A177 PolarHBondContact O-N 3.25Å
174K97.9Very high97.8Very high70 Ų7065.5 Ų65.530%0.30431%0.307SS..Hα-helixtrans-60.9-40.1170.6-73.6174.2174.8-176.30112.1E141 Q170 L171 A177 C178 Y204E141-K174 VanDerWaalsContact CD-NZ 3.34Å; E141-K174 VanDerWaalsContact OE1-CE 3.3Å; E141-K174 WeakPolarHBondContact OE1-CE 3.38Å; E141-K174 IonicContact OE1-NZ 3.09Å; E141-K174 PolarHBondContact OE1-NZ 3.24Å; Q170-K174 WeakPolarHBondContact O-CG 3.24Å; Q170-K174 PolarHBondContact O-N 3.29Å; L171-K174 HydrophobicContact CD2-CD 4.3Å; L171-K174 PolarHBondContact O-N 3.06Å; K174-A177 WeakPolarHBondContact O-CB 3.34Å; K174-A177 PolarHBondContact O-N 2.97Å; K174-C178 PolarHBondContact O-N 3.01Å; K174-C178 PolarHBondContact O-SG 3.04Å; K174-Y204 HydrophobicContact CB-CD2 4.12Å; K174-Y204 HydrophobicContact CB-CE1 4.36Å; K174-Y204 HydrophobicContact CB-CE2 3.82Å; K174-Y204 HydrophobicContact CB-CG 4.48Å; K174-Y204 HydrophobicContact CD-CD1 4.42Å; K174-Y204 HydrophobicContact CD-CE1 3.74Å; K174-Y204 HydrophobicContact CD-CE2 4.5Å
175M97.4Very high97.8Very high28 Ų2865.7 Ų65.714%0.13831%0.309CS..Hα-helixtrans-65.8-43.2175.2-71.8174.660.200112.1L171 V172 D173 A177 C178 E179 M201 N205 F208L171-M175 WeakPolarHBondContact O-CB 3.48Å; L171-M175 VanDerWaalsContact O-CG 3.27Å; L171-M175 WeakPolarHBondContact O-CG 3.45Å; L171-M175 PolarHBondContact O-N 3.16Å; V172-M175 PolarHBondContact O-N 3.11Å; D173-M175 VanDerWaalsContact C-N 3.32Å; D173-M175 PolarHBondContact O-N 3.06Å; M175-A177 VanDerWaalsContact C-N 3.28Å; M175-A177 PolarHBondContact O-N 3.28Å; M175-C178 WeakPolarHBondContact O-CA 3.41Å; M175-C178 VanDerWaalsContact O-CB 3.24Å; M175-C178 WeakPolarHBondContact O-CB 3.4Å; M175-C178 PolarHBondContact O-N 3.34Å; M175-E179 PolarHBondContact O-N 3.29Å; M175-M201 HydrophobicContact CE-CE 4.23Å; M175-N205 WeakPolarHBondContact CE-OD1 3.43Å; M175-F208 HydrophobicContact SD-CB 4.4Å
176K97.9Very high97.9Very high104 Ų10460.1 Ų60.145%0.45229%0.288SS..Hα-helixtrans-60.4-38.3172.5-69.8171.4-167.3155.50112V172 D173 C178 E179 Q180V172-K176 WeakPolarHBondContact O-CG 3.32Å; V172-K176 PolarHBondContact O-N 3.41Å; D173-K176 PolarHBondContact O-N 2.95Å; D173-K176 IonicContact OD1-NZ 3.8Å; D173-K176 PolarHBondContact OD1-NZ 3.36Å; K176-C178 VanDerWaalsContact C-N 3.3Å; K176-C178 PolarHBondContact O-N 3.44Å; K176-E179 WeakPolarHBondContact O-CB 3.27Å; K176-E179 PolarHBondContact O-N 3.28Å; K176-Q180 PolarHBondContact O-N 3.44Å
177A98.2Very high97.9Very high39 Ų3961.4 Ų61.432%0.32231%0.305SS..Hα-helixtrans-66.3-32.7174.300000112.1D173 K174 M175 R181D173-A177 PolarHBondContact O-N 3.25Å; K174-A177 WeakPolarHBondContact O-CB 3.34Å; K174-A177 PolarHBondContact O-N 2.97Å; M175-A177 VanDerWaalsContact C-N 3.28Å; M175-A177 PolarHBondContact O-N 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 VanDerWaalsContact O-CG 3.3Å; A177-R181 WeakPolarHBondContact O-CG 3.46Å; A177-R181 PolarHBondContact O-N 2.64Å; A177-R181 VanDerWaalsContact O-N 3.13Å; A177-R181 PolarHBondContact O-NE 2.99Å
178C98Very high97.9Very high0 Ų064.6 Ų64.60%033%0.334CS..Hα-helixtrans-62.1-46168.4-61.60000111.1K174 M175 K176 Q180 R181 L182 V197 M201K174-C178 PolarHBondContact O-N 3.01Å; K174-C178 PolarHBondContact O-SG 3.04Å; M175-C178 WeakPolarHBondContact O-CA 3.41Å; M175-C178 VanDerWaalsContact O-CB 3.24Å; M175-C178 WeakPolarHBondContact O-CB 3.4Å; M175-C178 PolarHBondContact O-N 3.34Å; K176-C178 VanDerWaalsContact C-N 3.3Å; K176-C178 PolarHBondContact O-N 3.44Å; C178-Q180 PolarHBondContact O-N 3.39Å; C178-R181 PolarHBondContact O-N 3.01Å; C178-R181 VanDerWaalsContact O-N 3.13Å; C178-R181 PolarHBondContact SG-NH2 3.4Å; C178-L182 WeakPolarHBondContact O-CB 3.49Å; C178-L182 WeakPolarHBondContact O-CG 3.43Å; C178-L182 PolarHBondContact O-N 3.04Å; C178-V197 HydrophobicContact CB-CG1 3.78Å; C178-V197 WeakPolarHBondContact O-CG1 3.42Å; C178-M201 HydrophobicContact CB-CB 4.14Å; C178-M201 HydrophobicContact CB-CG 4.27Å; C178-M201 HydrophobicContact CB-SD 4.27Å
179E98.4Very high97.8Very high64 Ų6465.1 Ų65.130%0.29934%0.34SS..Hα-helixtrans-57.9-46.5178.9-66.7177.2-14500112.2F59 P110 M175 K176 R181 L182 E183 M201F59-E179 HydrophobicContact CE1-CB 4.03Å; F59-E179 HydrophobicContact CE1-CG 4.43Å; F59-E179 VanDerWaalsContact CE1-O 3.29Å; F59-E179 WeakPolarHBondContact CE1-O 2.86Å; F59-E179 HydrophobicContact CZ-CB 4.47Å; F59-E179 HydrophobicContact CZ-CG 4.41Å; P110-E179 HydrophobicContact CB-CG 3.74Å; P110-E179 VanDerWaalsContact CG-CD 3.46Å; P110-E179 HydrophobicContact CG-CG 4.04Å; P110-E179 WeakPolarHBondContact CG-OE1 3.27Å; M175-E179 PolarHBondContact O-N 3.29Å; K176-E179 WeakPolarHBondContact O-CB 3.27Å; K176-E179 PolarHBondContact O-N 3.28Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.49Å; E179-L182 PolarHBondContact O-N 3.47Å; E179-E183 PolarHBondContact O-N 3.48Å; E179-M201 HydrophobicContact CG-CE 3.92Å
180Q98.4Very high97.9Very high117 Ų11763 Ų6355%0.54733%0.329SS..Hα-helixtrans-62.8-36.6176.3-67.8175.20.800112.8K176 C178 K184K176-Q180 PolarHBondContact O-N 3.44Å; C178-Q180 PolarHBondContact O-N 3.39Å; Q180-K184 WeakPolarHBondContact O-CG 3.3Å; Q180-K184 PolarHBondContact O-N 2.98Å
181R98.4Very high97.7Very high81 Ų8160.5 Ų60.531%0.30632%0.318SS..Hα-helixtrans-71.5-37.7176.1-73.4-179-65.1156.55.9111.7A177 C178 E179 K184 A185 V197 E200A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 VanDerWaalsContact O-CG 3.3Å; A177-R181 WeakPolarHBondContact O-CG 3.46Å; A177-R181 PolarHBondContact O-N 2.64Å; A177-R181 VanDerWaalsContact O-N 3.13Å; A177-R181 PolarHBondContact O-NE 2.99Å; C178-R181 PolarHBondContact O-N 3.01Å; C178-R181 VanDerWaalsContact O-N 3.13Å; C178-R181 PolarHBondContact SG-NH2 3.4Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 3.49Å; R181-K184 PolarHBondContact O-N 3.22Å; R181-A185 VanDerWaalsContact O-CB 3.3Å; R181-A185 WeakPolarHBondContact O-CB 3.31Å; R181-A185 PolarHBondContact O-N 3.43Å; R181-V197 HydrophobicContact CB-CG1 4.06Å; R181-V197 HydrophobicContact CB-CG2 3.95Å; R181-E200 IonicContact CZ-OE2 3.87Å; R181-E200 IonicContact NH1-OE1 2.65Å; R181-E200 IonicContact NH1-OE2 3.28Å; R181-E200 PolarHBondContact NH1-OE2 3.18Å; R181-E200 IonicContact NH2-OE2 3.22Å; R181-E200 PolarHBondContact NH2-OE2 3.05Å
182L98.4Very high97.6Very high0 Ų064.1 Ų64.10%034%0.344CS..Hα-helixtrans-64.1-45.2174.4-73.9167000111.2F59 A114 C178 E179 K184 A185 F186 V197 V198 M201F59-L182 HydrophobicContact CD1-CB 4.01Å; F59-L182 HydrophobicContact CD2-CB 4.24Å; F59-L182 HydrophobicContact CE1-CB 3.73Å; F59-L182 HydrophobicContact CE1-CD1 4.39Å; F59-L182 HydrophobicContact CE2-CB 4Å; F59-L182 HydrophobicContact CE2-CD1 3.94Å; F59-L182 HydrophobicContact CG-CB 4.23Å; F59-L182 HydrophobicContact CZ-CB 3.7Å; F59-L182 HydrophobicContact CZ-CD1 3.62Å; F59-L182 HydrophobicContact CZ-CG 4.3Å; A114-L182 HydrophobicContact CB-CD1 3.96Å; A114-L182 HydrophobicContact CB-CD2 4.12Å; C178-L182 WeakPolarHBondContact O-CB 3.49Å; C178-L182 WeakPolarHBondContact O-CG 3.43Å; C178-L182 PolarHBondContact O-N 3.04Å; E179-L182 PolarHBondContact O-N 3.47Å; L182-K184 VanDerWaalsContact C-N 3.34Å; L182-K184 PolarHBondContact O-N 2.9Å; L182-A185 PolarHBondContact O-N 2.96Å; L182-F186 HydrophobicContact CB-CD2 4.32Å; L182-F186 HydrophobicContact CB-CE2 4.32Å; L182-F186 HydrophobicContact CD2-CE2 4.06Å; L182-F186 WeakPolarHBondContact O-CD2 3.43Å; L182-F186 PolarHBondContact O-N 2.88Å; L182-V197 HydrophobicContact CD1-CG1 4.25Å; L182-V197 HydrophobicContact CD2-CB 3.82Å; L182-V197 HydrophobicContact CD2-CG1 3.9Å; L182-V197 HydrophobicContact CG-CB 4.11Å; L182-V197 HydrophobicContact CG-CG1 3.61Å; L182-V198 HydrophobicContact CD2-CG2 3.74Å; L182-M201 HydrophobicContact CD1-SD 3.93Å
183E98.4Very high97.5Very high79 Ų7965.5 Ų65.537%0.36935%0.348SS..Hα-helixtrans-53.3-53.3175.2-170.2-171.5170.900110.9F59 D60 E179 A185 F186 S187F59-E183 HydrophobicContact CD1-CB 3.97Å; D60-E183 HydrophobicContact CB-CG 4.23Å; E179-E183 PolarHBondContact O-N 3.48Å; E183-A185 PolarHBondContact O-N 3.2Å; E183-F186 PolarHBondContact O-N 2.91Å; E183-S187 WeakPolarHBondContact O-CB 3.41Å; E183-S187 PolarHBondContact O-N 3.38Å; E183-S187 PolarHBondContact O-OG 2.95Å; E183-S187 VanDerWaalsContact O-OG 3.09Å
184K98.4Very high97.5Very high147 Ų14761.2 Ų61.264%0.63933%0.325SS*.Hα-helixtrans-59.8-45177.3-69.9174.4-176.51780112.6Q180 R181 L182 S187 A188Q180-K184 WeakPolarHBondContact O-CG 3.3Å; Q180-K184 PolarHBondContact O-N 2.98Å; R181-K184 PolarHBondContact O-N 3.22Å; L182-K184 VanDerWaalsContact C-N 3.34Å; L182-K184 PolarHBondContact O-N 2.9Å; K184-S187 PolarHBondContact O-N 3.19Å; K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3.27Å
185A98.2Very high97.3Very high4 Ų461.2 Ų61.23%0.03333%0.325CS..Hα-helixtrans-62.5-46.2-179.300000111.5R181 L182 E183 A188 D189 D190 Q193 A194R181-A185 VanDerWaalsContact O-CB 3.3Å; R181-A185 WeakPolarHBondContact O-CB 3.31Å; R181-A185 PolarHBondContact O-N 3.43Å; L182-A185 PolarHBondContact O-N 2.96Å; E183-A185 PolarHBondContact O-N 3.2Å; A185-A188 CarbonylContact O-C 3.56Å; A185-A188 PolarHBondContact O-N 3.08Å; A185-D189 PolarHBondContact O-N 3.46Å; A185-D190 PolarHBondContact O-N 3.34Å; A185-Q193 HydrophobicContact CB-CB 4.18Å; A185-Q193 HydrophobicContact CB-CG 4.08Å; A185-A194 HydrophobicContact CB-CB 4.02Å
186F98.2Very high97.2Very high23 Ų2361.4 Ų61.410%0.10133%0.328CS..Hα-helixtrans-68.3-37.5177.1-75.7-62.6000112.8F59 A114 M117 L118 L182 E183 A188 D189 A194F59-F186 HydrophobicContact CB-CB 4.32Å; F59-F186 HydrophobicContact CB-CD2 3.74Å; F59-F186 HydrophobicContact CB-CG 4.37Å; F59-F186 AromaticContact CD2-CD2 3.85Å; F59-F186 HydrophobicContact CD2-CD2 3.85Å; F59-F186 AromaticContact CD2-CE2 3.82Å; F59-F186 HydrophobicContact CD2-CE2 3.82Å; F59-F186 HydrophobicContact CE2-CE2 4.47Å; F59-F186 AromaticContact CG-CD2 3.95Å; F59-F186 HydrophobicContact CG-CD2 3.95Å; F59-F186 HydrophobicContact CG-CE2 4.38Å; A114-F186 HydrophobicContact CB-CE2 3.84Å; A114-F186 HydrophobicContact CB-CZ 4.11Å; A114-F186 WeakPolarHBondContact O-CZ 3.39Å; M117-F186 HydrophobicContact CB-CD1 4.18Å; M117-F186 HydrophobicContact CB-CE1 3.56Å; M117-F186 HydrophobicContact CB-CE2 4.35Å; M117-F186 HydrophobicContact CB-CZ 3.66Å; M117-F186 HydrophobicContact CE-CB 3.95Å; M117-F186 HydrophobicContact CE-CD1 3.8Å; M117-F186 HydrophobicContact CE-CD2 4.08Å; M117-F186 HydrophobicContact CE-CE1 4.31Å; M117-F186 HydrophobicContact CE-CG 3.68Å; M117-F186 HydrophobicContact SD-CD2 4.23Å; M117-F186 HydrophobicContact SD-CE2 4.27Å; M117-F186 HydrophobicContact SD-CG 4.4Å; M117-F186 HydrophobicContact SD-CZ 4.47Å; L118-F186 HydrophobicContact CD2-CE1 4.18Å; L118-F186 HydrophobicContact CD2-CZ 4.42Å; L118-F186 HydrophobicContact CG-CE1 4.15Å; L118-F186 HydrophobicContact CG-CZ 4.02Å; L182-F186 HydrophobicContact CB-CD2 4.32Å; L182-F186 HydrophobicContact CB-CE2 4.32Å; L182-F186 HydrophobicContact CD2-CE2 4.06Å; L182-F186 WeakPolarHBondContact O-CD2 3.43Å; L182-F186 PolarHBondContact O-N 2.88Å; E183-F186 PolarHBondContact O-N 2.91Å; F186-A188 VanDerWaalsContact C-N 3.28Å; F186-A188 PolarHBondContact O-N 3.31Å; F186-D189 PolarHBondContact O-N 2.94Å; F186-A194 HydrophobicContact CE1-CB 4.19Å; F186-A194 HydrophobicContact CE2-CB 4.5Å; F186-A194 HydrophobicContact CZ-CB 4.14Å
187S97.4Very high97.1Very high101 Ų10156.5 Ų56.571%0.70631%0.306SS*.Hα-helixtrans-64.5-32.1174.4-68.70000112.8E183 K184E183-S187 WeakPolarHBondContact O-CB 3.41Å; E183-S187 PolarHBondContact O-N 3.38Å; E183-S187 PolarHBondContact O-OG 2.95Å; E183-S187 VanDerWaalsContact O-OG 3.09Å; K184-S187 PolarHBondContact O-N 3.19Å
188A97.7Very high97Very high77 Ų7754.6 Ų54.664%0.63629%0.291SS*.THydrogen-bonded Turntrans-89.3-1.1176.200000113.9K184 A185 F186 D190K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3.27Å; A185-A188 CarbonylContact O-C 3.56Å; A185-A188 PolarHBondContact O-N 3.08Å; F186-A188 VanDerWaalsContact C-N 3.28Å; F186-A188 PolarHBondContact O-N 3.31Å; A188-D190 PolarHBondContact O-N 3.09Å
189D96.4Very high96.9Very high78 Ų7854.7 Ų54.742%0.41729%0.291SS..THydrogen-bonded Turntrans54.427.5-170.7-151.528.7000115.3R121 A185 F186 L191R121-D189 IonicContact CZ-OD1 3.11Å; R121-D189 VanDerWaalsContact CZ-OD1 3.31Å; R121-D189 IonicContact CZ-OD2 3.32Å; R121-D189 IonicContact NH1-OD1 2.68Å; R121-D189 PolarHBondContact NH1-OD1 3.13Å; R121-D189 IonicContact NH1-OD2 3.46Å; R121-D189 PolarHBondContact NH1-OD2 3.36Å; R121-D189 IonicContact NH2-OD1 3.59Å; R121-D189 PolarHBondContact NH2-OD1 3.04Å; A185-D189 PolarHBondContact O-N 3.46Å; F186-D189 PolarHBondContact O-N 2.94Å; D189-L191 PolarHBondContact O-N 3.45Å
190D97.3Very high96.8Very high72 Ų7252.5 Ų52.539%0.38528%0.281SS..  trans-81.682.8177.2-170.5-16.9000110.3A185 A188 S192 Q193 A194A185-D190 PolarHBondContact O-N 3.34Å; A188-D190 PolarHBondContact O-N 3.09Å; D190-S192 PolarHBondContact O-N 3.41Å; D190-S192 PolarHBondContact OD1-N 2.89Å; D190-Q193 HydrophobicContact CB-CB 4.07Å; D190-Q193 PolarHBondContact O-N 2.88Å; D190-Q193 WeakPolarHBondContact OD1-CB 3.5Å; D190-Q193 PolarHBondContact OD1-N 3.32Å; D190-Q193 WeakPolarHBondContact OD2-CB 3.47Å; D190-A194 WeakPolarHBondContact O-CB 3.41Å; D190-A194 PolarHBondContact O-N 3.36Å
191L95.1Very high96.7Very high40 Ų4047 Ų4721%0.20926%0.255CS..Hα-helixtrans-65.2-25.3-179.5-56.1-178.6000112.7L118 R121 D189 K195L118-L191 HydrophobicContact CD2-CD2 4.19Å; R121-L191 HydrophobicContact CB-CD1 3.98Å; R121-L191 HydrophobicContact CB-CD2 4.08Å; R121-L191 HydrophobicContact CG-CD2 4.14Å; D189-L191 PolarHBondContact O-N 3.45Å; L191-K195 VanDerWaalsContact O-CG 3.25Å; L191-K195 WeakPolarHBondContact O-CG 3.49Å; L191-K195 PolarHBondContact O-N 3.08Å; L191-K195 VanDerWaalsContact O-N 3.09Å
192S94.1Very high96.5Very high86 Ų8645 Ų4560%0.60125%0.249SC*.Hα-helixtrans-69.9-51.6176.7-171.20000110D190 A194 K195 T196D190-S192 PolarHBondContact O-N 3.41Å; D190-S192 PolarHBondContact OD1-N 2.89Å; S192-A194 VanDerWaalsContact C-N 3.33Å; S192-A194 PolarHBondContact O-N 2.96Å; S192-K195 PolarHBondContact O-N 3.05Å; S192-T196 PolarHBondContact O-N 2.96Å; S192-T196 VanDerWaalsContact O-N 3.11Å
193Q95.8Very high96.3Very high75 Ų7546.8 Ų46.835%0.3526%0.257SS..Hα-helixtrans-62-41.9176.3-175.361.530.200111.3A185 D190 K195 T196 V197A185-Q193 HydrophobicContact CB-CB 4.18Å; A185-Q193 HydrophobicContact CB-CG 4.08Å; D190-Q193 HydrophobicContact CB-CB 4.07Å; D190-Q193 PolarHBondContact O-N 2.88Å; D190-Q193 WeakPolarHBondContact OD1-CB 3.5Å; D190-Q193 PolarHBondContact OD1-N 3.32Å; D190-Q193 WeakPolarHBondContact OD2-CB 3.47Å; Q193-K195 VanDerWaalsContact C-N 3.32Å; Q193-K195 PolarHBondContact O-N 3.16Å; Q193-T196 PolarHBondContact O-N 3.16Å; Q193-V197 HydrophobicContact CG-CG2 4.3Å; Q193-V197 VanDerWaalsContact NE2-CG2 3.34Å; Q193-V197 VanDerWaalsContact O-CG2 3.3Å; Q193-V197 WeakPolarHBondContact O-CG2 3.29Å; Q193-V197 PolarHBondContact O-N 3.03Å
194A96.6Very high96.3Very high0 Ų043.6 Ų43.60%024%0.241CC..Hα-helixtrans-58.7-4317700000111.8L118 A185 F186 D190 S192 V197 V198L118-A194 HydrophobicContact CD2-CB 3.9Å; A185-A194 HydrophobicContact CB-CB 4.02Å; F186-A194 HydrophobicContact CE1-CB 4.19Å; F186-A194 HydrophobicContact CE2-CB 4.5Å; F186-A194 HydrophobicContact CZ-CB 4.14Å; D190-A194 WeakPolarHBondContact O-CB 3.41Å; D190-A194 PolarHBondContact O-N 3.36Å; S192-A194 VanDerWaalsContact C-N 3.33Å; S192-A194 PolarHBondContact O-N 2.96Å; A194-V197 PolarHBondContact O-N 3.14Å; A194-V198 WeakPolarHBondContact O-CB 3.46Å; A194-V198 VanDerWaalsContact O-CG2 3.28Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 2.88Å
195K95Very high96.1Very high71 Ų7138.3 Ų38.331%0.30922%0.22SC..Hα-helixtrans-61-46.5175.3-77173.9-178.6179.20112.4L118 C123 M125 L191 S192 Q193 V197 V198 S199L118-K195 HydrophobicContact CD1-CG 4.07Å; L118-K195 HydrophobicContact CD2-CG 4.16Å; C123-K195 VanDerWaalsContact CB-CE 3.44Å; C123-K195 WeakPolarHBondContact SG-CE 3.3Å; C123-K195 PolarHBondContact SG-NZ 3.11Å; M125-K195 HydrophobicContact SD-CB 4.32Å; M125-K195 HydrophobicContact SD-CG 3.9Å; L191-K195 VanDerWaalsContact O-CG 3.25Å; L191-K195 WeakPolarHBondContact O-CG 3.49Å; L191-K195 PolarHBondContact O-N 3.08Å; L191-K195 VanDerWaalsContact O-N 3.09Å; S192-K195 PolarHBondContact O-N 3.05Å; Q193-K195 VanDerWaalsContact C-N 3.32Å; Q193-K195 PolarHBondContact O-N 3.16Å; K195-V197 PolarHBondContact O-N 3.49Å; K195-V198 PolarHBondContact O-N 3.48Å; K195-S199 PolarHBondContact O-N 2.91Å; K195-S199 PolarHBondContact O-OG 3.33Å
196T95.2Very high95.9Very high32 Ų3241.4 Ų41.420%0.19624%0.242CC..Hα-helixtrans-57.3-50.6176.4-68.50000110.9S133 S192 Q193 V198 S199 E200S133-T196 WeakPolarHBondContact O-CA 3.38Å; S133-T196 WeakPolarHBondContact O-CB 3.4Å; S133-T196 VanDerWaalsContact O-CG2 3.29Å; S133-T196 WeakPolarHBondContact O-CG2 3.42Å; S133-T196 PolarHBondContact O-OG1 2.9Å; S192-T196 PolarHBondContact O-N 2.96Å; S192-T196 VanDerWaalsContact O-N 3.11Å; Q193-T196 PolarHBondContact O-N 3.16Å; T196-V198 PolarHBondContact O-N 3.36Å; T196-S199 WeakPolarHBondContact O-CB 3.37Å; T196-S199 PolarHBondContact O-N 3.49Å; T196-S199 VanDerWaalsContact O-N 3.13Å; T196-E200 WeakPolarHBondContact O-CG 3.49Å; T196-E200 PolarHBondContact O-N 3.23Å
197V96.6Very high95.8Very high0 Ų040.5 Ų40.50%024%0.238CC..Hα-helixtrans-67.7-34.9-177.9-175.30000112.1C178 R181 L182 Q193 A194 K195 S199 E200 M201C178-V197 HydrophobicContact CB-CG1 3.78Å; C178-V197 WeakPolarHBondContact O-CG1 3.42Å; R181-V197 HydrophobicContact CB-CG1 4.06Å; R181-V197 HydrophobicContact CB-CG2 3.95Å; L182-V197 HydrophobicContact CD1-CG1 4.25Å; L182-V197 HydrophobicContact CD2-CB 3.82Å; L182-V197 HydrophobicContact CD2-CG1 3.9Å; L182-V197 HydrophobicContact CG-CB 4.11Å; L182-V197 HydrophobicContact CG-CG1 3.61Å; Q193-V197 HydrophobicContact CG-CG2 4.3Å; Q193-V197 VanDerWaalsContact NE2-CG2 3.34Å; Q193-V197 VanDerWaalsContact O-CG2 3.3Å; Q193-V197 WeakPolarHBondContact O-CG2 3.29Å; Q193-V197 PolarHBondContact O-N 3.03Å; A194-V197 PolarHBondContact O-N 3.14Å; K195-V197 PolarHBondContact O-N 3.49Å; V197-S199 VanDerWaalsContact C-N 3.34Å; V197-E200 PolarHBondContact O-N 2.99Å; V197-M201 WeakPolarHBondContact O-CB 3.31Å; V197-M201 PolarHBondContact O-N 3.16Å
198V96Very high95.8Very high0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-61.4-43.9171.91690000110.8L111 A114 I115 L118 M125 L182 A194 K195 T196 M201 K202L111-V198 HydrophobicContact CD1-CG1 3.85Å; A114-V198 HydrophobicContact CB-CG2 3.51Å; I115-V198 HydrophobicContact CD1-CG1 4.32Å; I115-V198 HydrophobicContact CG1-CG1 3.65Å; L118-V198 HydrophobicContact CD1-CB 4.36Å; L118-V198 HydrophobicContact CD1-CG2 3.84Å; M125-V198 HydrophobicContact CE-CB 3.99Å; M125-V198 HydrophobicContact CE-CG1 3.55Å; M125-V198 HydrophobicContact CG-CG1 4.24Å; M125-V198 HydrophobicContact SD-CG1 4.2Å; L182-V198 HydrophobicContact CD2-CG2 3.74Å; A194-V198 WeakPolarHBondContact O-CB 3.46Å; A194-V198 VanDerWaalsContact O-CG2 3.28Å; A194-V198 WeakPolarHBondContact O-CG2 3.41Å; A194-V198 PolarHBondContact O-N 2.88Å; K195-V198 PolarHBondContact O-N 3.48Å; T196-V198 PolarHBondContact O-N 3.36Å; V198-M201 PolarHBondContact O-N 3.38Å; V198-K202 WeakPolarHBondContact O-CG 3.14Å; V198-K202 PolarHBondContact O-N 2.89Å
199S95Very high95.7Very high1 Ų140.8 Ų40.81%0.00721%0.214CC..Hα-helixtrans-63.2-44.5177.6-69.60000111.7M125 K195 T196 V197 M201 K202 F203M125-S199 WeakPolarHBondContact CE-OG 3.46Å; K195-S199 PolarHBondContact O-N 2.91Å; K195-S199 PolarHBondContact O-OG 3.33Å; T196-S199 WeakPolarHBondContact O-CB 3.37Å; T196-S199 PolarHBondContact O-N 3.49Å; T196-S199 VanDerWaalsContact O-N 3.13Å; V197-S199 VanDerWaalsContact C-N 3.34Å; S199-M201 VanDerWaalsContact C-N 3.34Å; S199-M201 PolarHBondContact O-N 2.92Å; S199-K202 WeakPolarHBondContact O-CB 3.39Å; S199-K202 PolarHBondContact O-N 3.32Å; S199-F203 VanDerWaalsContact O-CD2 3.24Å; S199-F203 WeakPolarHBondContact O-CD2 3.49Å; S199-F203 PolarHBondContact O-N 3.48Å
200E96Very high95.7Very high19 Ų1940.5 Ų40.59%0.08921%0.207CC..Hα-helixtrans-57.9-46.5173.1-66.6177.6-171.500111.7V134 F138 R181 T196 V197 K202 F203 Y204V134-E200 HydrophobicContact CG1-CG 3.71Å; F138-E200 HydrophobicContact CD1-CG 4.35Å; F138-E200 HydrophobicContact CD2-CB 4.41Å; F138-E200 HydrophobicContact CD2-CG 3.84Å; F138-E200 HydrophobicContact CE1-CB 4.3Å; F138-E200 HydrophobicContact CE1-CG 4.13Å; F138-E200 HydrophobicContact CE2-CB 3.61Å; F138-E200 HydrophobicContact CE2-CG 3.54Å; F138-E200 HydrophobicContact CG-CG 4.24Å; F138-E200 VanDerWaalsContact CZ-CA 3.44Å; F138-E200 HydrophobicContact CZ-CB 3.58Å; F138-E200 HydrophobicContact CZ-CG 3.74Å; R181-E200 IonicContact CZ-OE2 3.87Å; R181-E200 IonicContact NH1-OE1 2.65Å; R181-E200 IonicContact NH1-OE2 3.28Å; R181-E200 PolarHBondContact NH1-OE2 3.18Å; R181-E200 IonicContact NH2-OE2 3.22Å; R181-E200 PolarHBondContact NH2-OE2 3.05Å; T196-E200 WeakPolarHBondContact O-CG 3.49Å; T196-E200 PolarHBondContact O-N 3.23Å; V197-E200 PolarHBondContact O-N 2.99Å; E200-K202 VanDerWaalsContact C-N 3.28Å; E200-K202 PolarHBondContact O-N 2.93Å; E200-F203 WeakPolarHBondContact O-CB 3.46Å; E200-F203 PolarHBondContact O-N 3.09Å; E200-F203 VanDerWaalsContact O-N 3.08Å; E200-Y204 PolarHBondContact O-N 3.02Å
201M95.7Very high95.6Very high2 Ų237 Ų371%0.0119%0.189CC..Hα-helixtrans-63.2-32.4179.6-168.5172.2-161.300112.6P110 L111 M175 C178 E179 L182 V197 V198 S199 N205P110-M201 HydrophobicContact CB-CE 3.86Å; P110-M201 HydrophobicContact CG-CE 4.49Å; L111-M201 HydrophobicContact CB-CG 4.41Å; L111-M201 HydrophobicContact CB-SD 4.06Å; L111-M201 HydrophobicContact CD1-CB 4.24Å; L111-M201 HydrophobicContact CD1-CG 4.29Å; L111-M201 HydrophobicContact CD1-SD 4.45Å; M175-M201 HydrophobicContact CE-CE 4.23Å; C178-M201 HydrophobicContact CB-CB 4.14Å; C178-M201 HydrophobicContact CB-CG 4.27Å; C178-M201 HydrophobicContact CB-SD 4.27Å; E179-M201 HydrophobicContact CG-CE 3.92Å; L182-M201 HydrophobicContact CD1-SD 3.93Å; V197-M201 WeakPolarHBondContact O-CB 3.31Å; V197-M201 PolarHBondContact O-N 3.16Å; V198-M201 PolarHBondContact O-N 3.38Å; S199-M201 VanDerWaalsContact C-N 3.34Å; S199-M201 PolarHBondContact O-N 2.92Å; M201-N205 WeakPolarHBondContact O-CB 3.49Å; M201-N205 PolarHBondContact O-N 3.02Å
202K94.9Very high95.6Very high39 Ų3936.3 Ų36.317%0.1719%0.186CC..Hα-helixtrans-63.6-43.9171.5-72.4179.7-178.5-176.80111.8L111 E126 N130 V198 S199 E200 N205 S206L111-K202 HydrophobicContact CD1-CG 3.91Å; L111-K202 HydrophobicContact CD2-CG 3.92Å; E126-K202 PolarHBondContact O-NZ 2.65Å; N130-K202 VanDerWaalsContact CG-CD 3.5Å; N130-K202 VanDerWaalsContact ND2-CD 3.32Å; N130-K202 WeakPolarHBondContact ND2-CD 3.33Å; N130-K202 WeakPolarHBondContact OD1-CD 3.49Å; N130-K202 PolarHBondContact OD1-NZ 3.5Å; V198-K202 WeakPolarHBondContact O-CG 3.14Å; V198-K202 PolarHBondContact O-N 2.89Å; S199-K202 WeakPolarHBondContact O-CB 3.39Å; S199-K202 PolarHBondContact O-N 3.32Å; E200-K202 VanDerWaalsContact C-N 3.28Å; E200-K202 PolarHBondContact O-N 2.93Å; K202-N205 PolarHBondContact O-N 3.27Å; K202-S206 PolarHBondContact O-N 3.22Å
203F95.4Very high95.6Very high37 Ų3737.8 Ų37.816%0.16219%0.187CC..Hα-helixtrans-63.4-45176.5-79-75.2000111.8N130 Q131 V134 F138 L139 V142 S199 E200 N205 S206 L207N130-F203 HydrophobicContact CB-CD2 4.37Å; N130-F203 HydrophobicContact CB-CE2 3.64Å; N130-F203 HydrophobicContact CB-CZ 4.09Å; Q131-F203 HydrophobicContact CG-CZ 4.11Å; V134-F203 HydrophobicContact CG2-CE2 4.08Å; F138-F203 HydrophobicContact CE1-CB 3.83Å; F138-F203 AromaticContact CE1-CD2 3.65Å; F138-F203 HydrophobicContact CE1-CD2 3.65Å; F138-F203 HydrophobicContact CE1-CE2 4.44Å; F138-F203 AromaticContact CE1-CG 3.92Å; F138-F203 HydrophobicContact CE1-CG 3.92Å; F138-F203 HydrophobicContact CZ-CB 3.9Å; F138-F203 HydrophobicContact CZ-CD2 4.41Å; F138-F203 HydrophobicContact CZ-CG 4.48Å; L139-F203 HydrophobicContact CD2-CE1 4.45Å; L139-F203 HydrophobicContact CD2-CE2 4.28Å; L139-F203 HydrophobicContact CD2-CZ 3.93Å; V142-F203 HydrophobicContact CG1-CB 4.41Å; V142-F203 HydrophobicContact CG1-CD1 3.86Å; V142-F203 HydrophobicContact CG1-CG 4.46Å; V142-F203 HydrophobicContact CG2-CB 3.97Å; V142-F203 HydrophobicContact CG2-CG 4.38Å; S199-F203 VanDerWaalsContact O-CD2 3.24Å; S199-F203 WeakPolarHBondContact O-CD2 3.49Å; S199-F203 PolarHBondContact O-N 3.48Å; E200-F203 WeakPolarHBondContact O-CB 3.46Å; E200-F203 PolarHBondContact O-N 3.09Å; E200-F203 VanDerWaalsContact O-N 3.08Å; F203-N205 PolarHBondContact O-N 2.82Å; F203-S206 PolarHBondContact O-N 2.68Å; F203-L207 PolarHBondContact O-N 3.29Å
204Y96.6Very high95.5Very high12 Ų1236.4 Ų36.45%0.04718%0.18CC..Hα-helixtrans-63.8-37.8176.4-67.4-38.4000113.3F138 E141 L171 K174 E200 L207 F208F138-Y204 AromaticContact CE2-CE1 3.85Å; F138-Y204 HydrophobicContact CE2-CE1 3.85Å; F138-Y204 AromaticContact CE2-CE2 3.73Å; F138-Y204 HydrophobicContact CE2-CE2 3.73Å; F138-Y204 AromaticContact CE2-CZ 3.36Å; F138-Y204 WeakPolarHBondContact CE2-OH 3.29Å; F138-Y204 HydrophobicContact CZ-CE1 4.12Å; F138-Y204 HydrophobicContact CZ-CE2 4.26Å; E141-Y204 WeakPolarHBondContact OE1-CE1 3.32Å; E141-Y204 PolarHBondContact OE1-OH 3.19Å; L171-Y204 HydrophobicContact CD2-CD1 3.72Å; L171-Y204 HydrophobicContact CD2-CE1 4.31Å; L171-Y204 HydrophobicContact CD2-CG 4.44Å; K174-Y204 HydrophobicContact CB-CD2 4.12Å; K174-Y204 HydrophobicContact CB-CE1 4.36Å; K174-Y204 HydrophobicContact CB-CE2 3.82Å; K174-Y204 HydrophobicContact CB-CG 4.48Å; K174-Y204 HydrophobicContact CD-CD1 4.42Å; K174-Y204 HydrophobicContact CD-CE1 3.74Å; K174-Y204 HydrophobicContact CD-CE2 4.5Å; E200-Y204 PolarHBondContact O-N 3.02Å; Y204-L207 HydrophobicContact CD1-CD1 4.27Å; Y204-L207 PolarHBondContact O-N 3.12Å; Y204-F208 WeakPolarHBondContact O-CB 3.32Å; Y204-F208 PolarHBondContact O-N 3.23Å
205N94.7Very high95.2Very high35 Ų3538.3 Ų38.319%0.18719%0.19CC..Hα-helixtrans-61.3-44.2172.7-87.4-18.4000112.1L111 M175 M201 K202 F203 L207 F208 E209L111-N205 WeakPolarHBondContact CD2-ND2 3.31Å; M175-N205 WeakPolarHBondContact CE-OD1 3.43Å; M201-N205 WeakPolarHBondContact O-CB 3.49Å; M201-N205 PolarHBondContact O-N 3.02Å; K202-N205 PolarHBondContact O-N 3.27Å; F203-N205 PolarHBondContact O-N 2.82Å; N205-L207 PolarHBondContact O-N 2.73Å; N205-F208 PolarHBondContact O-N 2.68Å; N205-E209 WeakPolarHBondContact O-CG 3.24Å; N205-E209 PolarHBondContact O-N 2.85Å
206S94.7Very high94.8Very high70 Ų7042.4 Ų42.449%0.4921%0.21SC..Hα-helixtrans-62-43.7177.6-177.90000112K202 F203 F208 E209 R210K202-S206 PolarHBondContact O-N 3.22Å; F203-S206 PolarHBondContact O-N 2.68Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 2.77Å; S206-E209 PolarHBondContact O-N 3.28Å; S206-R210 WeakPolarHBondContact O-CB 3.48Å; S206-R210 PolarHBondContact O-N 3.3Å
207L96.7Very high93.7Very high4 Ų446.1 Ų46.12%0.02124%0.237CC..Hα-helixtrans-61.1-42173.1-75.8172.9000112.1V142 A145 N146 I149 L171 F203 Y204 N205 R210 L211V142-L207 HydrophobicContact CB-CD1 4.43Å; V142-L207 HydrophobicContact CG1-CD1 4.12Å; V142-L207 HydrophobicContact CG1-CG 4.42Å; V142-L207 HydrophobicContact CG2-CD1 4.22Å; A145-L207 HydrophobicContact CB-CD1 4.02Å; A145-L207 HydrophobicContact CB-CD2 4.12Å; N146-L207 HydrophobicContact CB-CD2 4.41Å; N146-L207 VanDerWaalsContact CG-CD2 3.45Å; N146-L207 WeakPolarHBondContact ND2-CD2 3.34Å; N146-L207 VanDerWaalsContact OD1-CD2 3.31Å; N146-L207 WeakPolarHBondContact OD1-CD2 3.26Å; I149-L207 HydrophobicContact CD1-CD2 3.92Å; L171-L207 HydrophobicContact CD1-CB 3.54Å; L171-L207 HydrophobicContact CD2-CB 4.29Å; L171-L207 HydrophobicContact CD2-CD1 4.11Å; F203-L207 PolarHBondContact O-N 3.29Å; Y204-L207 HydrophobicContact CD1-CD1 4.27Å; Y204-L207 PolarHBondContact O-N 3.12Å; N205-L207 PolarHBondContact O-N 2.73Å; L207-R210 PolarHBondContact O-N 3.46Å; L207-L211 PolarHBondContact O-N 2.84Å
208F96.7Very high93.5Very high56 Ų5648.5 Ų48.525%0.24625%0.249CC..Hα-helixtrans-65.2-43.6179.8-178.8-91000112.3K168 L171 V172 M175 Y204 N205 S206 R210 L211 C212K168-F208 HydrophobicContact CD-CE2 4.25Å; K168-F208 HydrophobicContact CG-CD2 4.11Å; K168-F208 HydrophobicContact CG-CE2 3.67Å; L171-F208 HydrophobicContact CD1-CB 4.22Å; V172-F208 HydrophobicContact CG2-CD2 4.19Å; V172-F208 HydrophobicContact CG2-CE2 3.62Å; M175-F208 HydrophobicContact SD-CB 4.4Å; Y204-F208 WeakPolarHBondContact O-CB 3.32Å; Y204-F208 PolarHBondContact O-N 3.23Å; N205-F208 PolarHBondContact O-N 2.68Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 2.77Å; F208-R210 VanDerWaalsContact C-N 3.35Å; F208-L211 PolarHBondContact O-N 3.21Å; F208-C212 VanDerWaalsContact CE1-SG 3.52Å; F208-C212 PolarHBondContact O-N 2.9Å; F208-C212 PolarHBondContact O-SG 3.48Å
209E95.4Very high93.4Very high127 Ų12751 Ų5159%0.59326%0.262SS*.Hα-helixtrans-60.5-45.8174.7-74.4175.3176.900111N205 S206 L211 C212 L213N205-E209 WeakPolarHBondContact O-CG 3.24Å; N205-E209 PolarHBondContact O-N 2.85Å; S206-E209 PolarHBondContact O-N 3.28Å; E209-L211 PolarHBondContact O-N 2.76Å; E209-C212 WeakPolarHBondContact O-CB 2.92Å; E209-C212 PolarHBondContact O-N 3.2Å; E209-C212 VanDerWaalsContact O-N 3.16Å; E209-L213 WeakPolarHBondContact O-CG 3.36Å; E209-L213 PolarHBondContact O-N 3.41Å
210R95.7Very high93.3Very high72 Ų7253.8 Ų53.827%0.27228%0.276SS..Hα-helixtrans-61.9-44178-171.3171.6129.681.47.1112.4N146 I149 D150 S206 L207 F208 C212 L213 K214N146-R210 PolarHBondContact O-NH2 3.11Å; N146-R210 PolarHBondContact OD1-NE 3.18Å; N146-R210 VanDerWaalsContact OD1-NE 3.14Å; I149-R210 HydrophobicContact CG2-CG 4.39Å; D150-R210 IonicContact OD1-CZ 2.9Å; D150-R210 VanDerWaalsContact OD1-CZ 3.23Å; D150-R210 IonicContact OD1-NH1 3.31Å; D150-R210 PolarHBondContact OD1-NH1 3.35Å; D150-R210 IonicContact OD1-NH2 3.41Å; D150-R210 PolarHBondContact OD1-NH2 3.08Å; D150-R210 IonicContact OD2-CZ 3.23Å; D150-R210 IonicContact OD2-NH1 2.85Å; D150-R210 IonicContact OD2-NH2 2.68Å; D150-R210 PolarHBondContact OD2-NH2 3.37Å; D150-R210 VanDerWaalsContact OD2-NH2 3.09Å; S206-R210 WeakPolarHBondContact O-CB 3.48Å; S206-R210 PolarHBondContact O-N 3.3Å; L207-R210 PolarHBondContact O-N 3.46Å; F208-R210 VanDerWaalsContact C-N 3.35Å; R210-C212 VanDerWaalsContact C-N 3.34Å; R210-C212 PolarHBondContact O-N 3.32Å; R210-L213 PolarHBondContact O-N 3.46Å; R210-K214 WeakPolarHBondContact O-CB 3.49Å; R210-K214 PolarHBondContact O-N 3.23Å
211L96.1Very high93.2Very high0 Ų055.8 Ų55.80%029%0.287CS..Hα-helixtrans-60.1-42.5172.3-87.8169.6000112.3I149 L164 M167 K168 L171 L207 F208 E209 L213 K214 I215I149-L211 HydrophobicContact CD1-CD1 4.23Å; I149-L211 HydrophobicContact CD1-CD2 4.04Å; I149-L211 HydrophobicContact CD1-CG 3.66Å; I149-L211 HydrophobicContact CG1-CD2 3.67Å; I149-L211 HydrophobicContact CG1-CG 3.9Å; I149-L211 HydrophobicContact CG2-CD2 4.38Å; L164-L211 HydrophobicContact CB-CD2 4.37Å; L164-L211 HydrophobicContact CD2-CD2 3.59Å; M167-L211 HydrophobicContact CB-CD1 4.01Å; M167-L211 HydrophobicContact CB-CD2 4.31Å; K168-L211 HydrophobicContact CB-CD1 4.27Å; L171-L211 HydrophobicContact CD1-CD1 3.48Å; L171-L211 VanDerWaalsContact CD1-CD1 3.48Å; L171-L211 HydrophobicContact CG-CD1 4.34Å; L207-L211 PolarHBondContact O-N 2.84Å; F208-L211 PolarHBondContact O-N 3.21Å; E209-L211 PolarHBondContact O-N 2.76Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 3.42Å; L211-K214 PolarHBondContact O-N 3.31Å; L211-I215 WeakPolarHBondContact O-CB 3.01Å; L211-I215 WeakPolarHBondContact O-CD1 3.28Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 3.21Å
212C95Very high93Very high24 Ų2459.2 Ų59.216%0.16231%0.305CS..Hα-helixtrans-62.9-41.6178.3-70.30000111.9K168 F208 E209 R210 Q216K168-C212 VanDerWaalsContact CE-SG 3.59Å; K168-C212 PolarHBondContact NZ-SG 3.48Å; F208-C212 VanDerWaalsContact CE1-SG 3.52Å; F208-C212 PolarHBondContact O-N 2.9Å; F208-C212 PolarHBondContact O-SG 3.48Å; E209-C212 WeakPolarHBondContact O-CB 2.92Å; E209-C212 PolarHBondContact O-N 3.2Å; E209-C212 VanDerWaalsContact O-N 3.16Å; R210-C212 VanDerWaalsContact C-N 3.34Å; R210-C212 PolarHBondContact O-N 3.32Å; C212-Q216 VanDerWaalsContact O-CG 3.24Å; C212-Q216 WeakPolarHBondContact O-CG 3.06Å; C212-Q216 PolarHBondContact O-N 2.95Å
213L94.5Very high92.9Very high118 Ų11860.5 Ų60.562%0.61831%0.314SS*.Hα-helixtrans-65-43.7174.8-69.3172000111.6E209 R210 L211 I215 Q216 S217E209-L213 WeakPolarHBondContact O-CG 3.36Å; E209-L213 PolarHBondContact O-N 3.41Å; R210-L213 PolarHBondContact O-N 3.46Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 3.42Å; L213-I215 PolarHBondContact O-N 2.98Å; L213-Q216 PolarHBondContact O-N 3.27Å; L213-S217 PolarHBondContact O-N 3.26Å
214K93.5Very high92.7Very high45 Ų4562.2 Ų62.220%0.19633%0.325CS..Hα-helixtrans-63.8-37.4179-169.579.5174.5-158.50112.5I149 D150 L152 P154 L164 R210 L211 Q216 S217I149-K214 HydrophobicContact CG2-CB 4.32Å; I149-K214 HydrophobicContact CG2-CD 4.49Å; I149-K214 HydrophobicContact CG2-CG 4.19Å; I149-K214 VanDerWaalsContact O-CE 3.26Å; I149-K214 WeakPolarHBondContact O-CE 3.31Å; I149-K214 PolarHBondContact O-NZ 3.46Å; D150-K214 PolarHBondContact O-NZ 3Å; L152-K214 WeakPolarHBondContact O-CE 3.47Å; L152-K214 PolarHBondContact O-NZ 2.65Å; P154-K214 WeakPolarHBondContact CB-O 3.09Å; P154-K214 VanDerWaalsContact CG-O 3.22Å; P154-K214 WeakPolarHBondContact CG-O 3.22Å; L164-K214 HydrophobicContact CD1-CG 4.2Å; L164-K214 HydrophobicContact CD2-CG 4.2Å; R210-K214 WeakPolarHBondContact O-CB 3.49Å; R210-K214 PolarHBondContact O-N 3.23Å; L211-K214 PolarHBondContact O-N 3.31Å; K214-Q216 VanDerWaalsContact C-N 3.32Å; K214-S217 PolarHBondContact O-OG 2.87Å
215I91Very high92.4Very high41 Ų4166.1 Ų66.121%0.2135%0.346CS..Hα-helixtrans-74.5-24.8177.6-68.7161000111.8L164 K168 L211 L213L164-I215 HydrophobicContact CB-CD1 4.14Å; L164-I215 HydrophobicContact CB-CG1 3.89Å; L164-I215 HydrophobicContact CD1-CG1 4.43Å; K168-I215 HydrophobicContact CD-CD1 4.11Å; L211-I215 WeakPolarHBondContact O-CB 3.01Å; L211-I215 WeakPolarHBondContact O-CD1 3.28Å; L211-I215 WeakPolarHBondContact O-CG1 3.47Å; L211-I215 PolarHBondContact O-N 3.21Å; L213-I215 PolarHBondContact O-N 2.98Å
216Q85.8Confident92.2Very high157 Ų15768.7 Ų68.773%0.73436%0.359SS*.Hα-helixtrans-82.1-19.7178.7-75.3173.60.800113.8C212 L213 K214C212-Q216 VanDerWaalsContact O-CG 3.24Å; C212-Q216 WeakPolarHBondContact O-CG 3.06Å; C212-Q216 PolarHBondContact O-N 2.95Å; L213-Q216 PolarHBondContact O-N 3.27Å; K214-Q216 VanDerWaalsContact C-N 3.32Å
217S71.7Confident92Very high110 Ų11068.5 Ų68.577%0.76935%0.347SS*.  trans-80.1017663.70000112.1P154 L213 K214P154-S217 WeakPolarHBondContact CB-OXT 3.37Å; P154-S217 WeakPolarHBondContact CG-OXT 3.17Å; L213-S217 PolarHBondContact O-N 3.26Å; K214-S217 PolarHBondContact O-OG 2.87Å

Retrieved 217 of 217 residues in 571.9 ms (Link to these results)

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