A0A077Z6S8_TRITR Loading...

Homeobox domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6S8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 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
1M61.1Low83.7Confident223 Ų223139.5 Ų139.5100%1.09970%0.698SS**  0124.80-64.1-54.3148.600109.4R3M1-R3 PolarHBondContact O-N 3.16Å
2P67.5Low84.9Confident130 Ų130141 Ų14184%0.84470%0.702SS**PPolyproline II helixtrans-56.7135.8177.1-2333.6000111R4P2-R4 PolarHBondContact O-N 3.49Å
3R79.4Confident85.9Confident222 Ų222132.5 Ų132.584%0.83866%0.659SS**PPolyproline II helixtrans-68.5130176.7-69.2-170.5178.3-88.21.8108.9M1 A5M1-R3 PolarHBondContact O-N 3.16Å; R3-A5 PolarHBondContact O-N 3.49Å
4R77.3Confident86.7Confident242 Ų242128.1 Ų128.191%0.91364%0.638SS**PPolyproline II helixtrans-56.9131.7175.7-172.1172.5-85.9164.2-6.7109.3P2P2-R4 PolarHBondContact O-N 3.49Å
5A81.9Confident87.5Confident90 Ų90123 Ų12374%0.74462%0.616SS**PPolyproline II helixtrans-57.8149.6178.500000111.1R3R3-A5 PolarHBondContact O-N 3.49Å
6R83.4Confident88.2Confident126 Ų126117.3 Ų117.348%0.47559%0.594SS.*PPolyproline II helixtrans-83.5138-179.6-66.5-178.8174.8-101.6-21.2110.1L146 S147R6-L146 WeakPolarHBondContact CD-O 3.05Å; R6-L146 PolarHBondContact NE-O 3.35Å; R6-L146 PolarHBondContact NH1-O 2.87Å; R6-S147 PolarHBondContact NH1-OG 2.9Å
7T87.6Confident88.8Confident90 Ų90110.4 Ų110.455%0.55256%0.56SS**PPolyproline II helixtrans-85.1127.517057.30000109.2Q45T7-Q45 PolarHBondContact OG1-NE2 3.04Å
8A92.6Very high89.3Confident95 Ų95106.9 Ų106.979%0.78554%0.541SS*.PPolyproline II helixtrans-87.1140.3166.800000109.5
9F95.2Very high89.8Confident53 Ų53105.5 Ų105.523%0.23254%0.535CS..PPolyproline II helixtrans-92.1144.8171.6-59.6-37000109.7Q13 L14 L17 L41 Q45 W49F9-Q13 VanDerWaalsContact CA-OE1 3.31Å; F9-Q13 HydrophobicContact CB-CB 4.28Å; F9-L14 HydrophobicContact CB-CD2 4Å; F9-L14 HydrophobicContact CB-CG 4.13Å; F9-L14 HydrophobicContact CD2-CD2 4.13Å; F9-L17 HydrophobicContact CD2-CD1 4.4Å; F9-L41 HydrophobicContact CD1-CD1 4.11Å; F9-L41 HydrophobicContact CD1-CD2 3.83Å; F9-L41 HydrophobicContact CE1-CD1 3.98Å; F9-L41 HydrophobicContact CE1-CD2 3.7Å; F9-L41 HydrophobicContact CE1-CG 4.49Å; F9-L41 HydrophobicContact CZ-CD1 4.45Å; F9-Q45 HydrophobicContact CE1-CB 4.29Å; F9-Q45 HydrophobicContact CE1-CG 4.41Å; F9-Q45 HydrophobicContact CZ-CB 4.02Å; F9-Q45 HydrophobicContact CZ-CG 4.36Å; F9-W49 AromaticContact CD2-CD1 3.8Å; F9-W49 HydrophobicContact CE2-CB 4.17Å; F9-W49 AromaticContact CE2-CD1 3.63Å; F9-W49 HydrophobicContact CE2-CG 4.23Å
10T96.9Very high90.2Very high76 Ų76102.7 Ų102.747%0.46652%0.519SS..PPolyproline II helixtrans-70.3161.9174.271.90000110.5E12 Q13 L14T10-E12 VanDerWaalsContact C-N 3.31Å; T10-E12 PolarHBondContact O-N 3.07Å; T10-Q13 PolarHBondContact O-N 3.26Å; T10-Q13 VanDerWaalsContact OG1-CG 3.28Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.38Å; T10-Q13 PolarHBondContact OG1-N 3.29Å; T10-L14 WeakPolarHBondContact O-CG 3.28Å; T10-L14 PolarHBondContact O-N 3.41Å; T10-L14 VanDerWaalsContact O-N 3.07Å
11Y97.6Very high90.6Very high187 Ų18798.1 Ų98.173%0.73350%0.496SS*.Hα-helixtrans-58.1-44.3176.1178-104.6000112Q13 L14 V15Y11-Q13 VanDerWaalsContact C-N 3.34Å; Y11-Q13 PolarHBondContact O-N 2.86Å; Y11-L14 WeakPolarHBondContact O-CB 3.46Å; Y11-L14 PolarHBondContact O-N 2.92Å; Y11-L14 VanDerWaalsContact O-N 3.12Å; Y11-V15 HydrophobicContact CD1-CG2 4.07Å; Y11-V15 HydrophobicContact CD2-CG2 4.4Å; Y11-V15 HydrophobicContact CE1-CG2 3.61Å; Y11-V15 HydrophobicContact CE2-CG2 3.96Å; Y11-V15 HydrophobicContact CG-CG2 4.45Å; Y11-V15 WeakPolarHBondContact O-CG2 3.49Å; Y11-V15 PolarHBondContact O-N 2.92Å
12E97.9Very high92.3Very high158 Ų15894.6 Ų94.674%0.73847%0.474SS*.Hα-helixtrans-59.7-43178.5-64.3177.8-170.200112.2T10 L14 V15 A16T10-E12 VanDerWaalsContact C-N 3.31Å; T10-E12 PolarHBondContact O-N 3.07Å; E12-L14 VanDerWaalsContact C-N 3.34Å; E12-L14 PolarHBondContact O-N 3.22Å; E12-V15 PolarHBondContact O-N 2.89Å; E12-A16 PolarHBondContact O-N 3.45Å
13Q97.9Very high93.7Very high31 Ų3193.5 Ų93.515%0.14547%0.469CS..Hα-helixtrans-60.6-44.3174.8-72.7172.2-26.600111.3F9 T10 Y11 A16 L17 L39F9-Q13 VanDerWaalsContact CA-OE1 3.31Å; F9-Q13 HydrophobicContact CB-CB 4.28Å; T10-Q13 PolarHBondContact O-N 3.26Å; T10-Q13 VanDerWaalsContact OG1-CG 3.28Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.38Å; T10-Q13 PolarHBondContact OG1-N 3.29Å; Y11-Q13 VanDerWaalsContact C-N 3.34Å; Y11-Q13 PolarHBondContact O-N 2.86Å; Q13-A16 PolarHBondContact O-N 2.84Å; Q13-L17 WeakPolarHBondContact O-CB 3.48Å; Q13-L17 WeakPolarHBondContact O-CD1 3.4Å; Q13-L17 WeakPolarHBondContact O-CG 3.29Å; Q13-L17 PolarHBondContact O-N 2.98Å; Q13-L39 HydrophobicContact CG-CB 4.4Å; Q13-L39 PolarHBondContact NE2-O 3.27Å
14L98Very high94.5Very high70 Ų7085 Ų8537%0.36644%0.442SS..Hα-helixtrans-63.4-42.4178.4-67.4173.7000112F9 T10 Y11 E12 L17 E18F9-L14 HydrophobicContact CB-CD2 4Å; F9-L14 HydrophobicContact CB-CG 4.13Å; F9-L14 HydrophobicContact CD2-CD2 4.13Å; T10-L14 WeakPolarHBondContact O-CG 3.28Å; T10-L14 PolarHBondContact O-N 3.41Å; T10-L14 VanDerWaalsContact O-N 3.07Å; Y11-L14 WeakPolarHBondContact O-CB 3.46Å; Y11-L14 PolarHBondContact O-N 2.92Å; Y11-L14 VanDerWaalsContact O-N 3.12Å; E12-L14 VanDerWaalsContact C-N 3.34Å; E12-L14 PolarHBondContact O-N 3.22Å; L14-L17 PolarHBondContact O-N 2.89Å; L14-E18 VanDerWaalsContact O-CB 3.29Å; L14-E18 WeakPolarHBondContact O-CB 3.18Å; L14-E18 PolarHBondContact O-N 3.33Å
15V98.3Very high95.4Very high52 Ų5275.8 Ų75.832%0.31541%0.408SS..Hα-helixtrans-61.4-46.4177.3171.20000110.8Y11 E12 E18 N19Y11-V15 HydrophobicContact CD1-CG2 4.07Å; Y11-V15 HydrophobicContact CD2-CG2 4.4Å; Y11-V15 HydrophobicContact CE1-CG2 3.61Å; Y11-V15 HydrophobicContact CE2-CG2 3.96Å; Y11-V15 HydrophobicContact CG-CG2 4.45Å; Y11-V15 WeakPolarHBondContact O-CG2 3.49Å; Y11-V15 PolarHBondContact O-N 2.92Å; E12-V15 PolarHBondContact O-N 2.89Å; V15-E18 PolarHBondContact O-N 2.96Å; V15-N19 WeakPolarHBondContact O-CB 3.03Å; V15-N19 PolarHBondContact O-N 3.05Å; V15-N19 PolarHBondContact O-ND2 3.1Å
16A98.2Very high96.2Very high32 Ų3278.5 Ų78.526%0.26440%0.399SS..Hα-helixtrans-63.7-44.2178.300000112.5E12 Q13 E18 N19 K20 L39E12-A16 PolarHBondContact O-N 3.45Å; Q13-A16 PolarHBondContact O-N 2.84Å; A16-E18 PolarHBondContact O-N 3.41Å; A16-N19 PolarHBondContact O-N 3.24Å; A16-K20 PolarHBondContact O-N 3.42Å; A16-L39 HydrophobicContact CB-CD1 4.09Å; A16-L39 HydrophobicContact CB-CD2 3.62Å; A16-L39 HydrophobicContact CB-CG 4.46Å
17L98.5Very high96.9Very high0 Ų073.2 Ų73.20%038%0.381CS..Hα-helixtrans-60.6-44175.8-73.2164.9000111.6F9 Q13 L14 K20 F21 L35 L39 L41 V46 W49 F50F9-L17 HydrophobicContact CD2-CD1 4.4Å; Q13-L17 WeakPolarHBondContact O-CB 3.48Å; Q13-L17 WeakPolarHBondContact O-CD1 3.4Å; Q13-L17 WeakPolarHBondContact O-CG 3.29Å; Q13-L17 PolarHBondContact O-N 2.98Å; L14-L17 PolarHBondContact O-N 2.89Å; L17-K20 PolarHBondContact O-N 3.46Å; L17-F21 WeakPolarHBondContact O-CB 3.38Å; L17-F21 PolarHBondContact O-N 3.12Å; L17-L35 HydrophobicContact CD2-CD2 3.88Å; L17-L35 HydrophobicContact CD2-CG 4.48Å; L17-L39 HydrophobicContact CD2-CD1 4Å; L17-L39 HydrophobicContact CG-CD1 3.81Å; L17-L41 HydrophobicContact CD1-CD1 4.43Å; L17-V46 HydrophobicContact CD2-CG1 4.33Å; L17-W49 VanDerWaalsContact C-CH2 3.45Å; L17-W49 HydrophobicContact CB-CD2 3.9Å; L17-W49 HydrophobicContact CB-CE3 3.86Å; L17-W49 HydrophobicContact CB-CH2 3.62Å; L17-W49 HydrophobicContact CB-CZ2 3.62Å; L17-W49 HydrophobicContact CB-CZ3 3.74Å; L17-W49 HydrophobicContact CD1-CD2 3.87Å; L17-W49 HydrophobicContact CD1-CE3 4.48Å; L17-W49 HydrophobicContact CD1-CG 3.88Å; L17-W49 HydrophobicContact CD2-CD2 4.22Å; L17-W49 HydrophobicContact CD2-CE3 4.05Å; L17-W49 HydrophobicContact CG-CD2 4.23Å; L17-W49 HydrophobicContact CG-CE3 4.36Å; L17-W49 WeakPolarHBondContact O-CH2 3.39Å; L17-F50 HydrophobicContact CD2-CE2 4.07Å
18E98.4Very high97.4Very high48 Ų4871.7 Ų71.722%0.22437%0.374CS..Hα-helixtrans-66.3-42.8178.2-168.764.2-153.900111.9L14 V15 A16 K20 F21 K22 R53L14-E18 VanDerWaalsContact O-CB 3.29Å; L14-E18 WeakPolarHBondContact O-CB 3.18Å; L14-E18 PolarHBondContact O-N 3.33Å; V15-E18 PolarHBondContact O-N 2.96Å; A16-E18 PolarHBondContact O-N 3.41Å; E18-K20 VanDerWaalsContact C-N 3.33Å; E18-K20 PolarHBondContact O-N 3.4Å; E18-F21 WeakPolarHBondContact O-CB 3.26Å; E18-F21 PolarHBondContact O-N 3.02Å; E18-F21 VanDerWaalsContact O-N 3.14Å; E18-K22 WeakPolarHBondContact O-CG 3.48Å; E18-K22 PolarHBondContact O-N 3.44Å; E18-R53 VanDerWaalsContact CD-NE 3.33Å; E18-R53 IonicContact OE1-CZ 3.32Å; E18-R53 IonicContact OE1-NE 3.12Å; E18-R53 PolarHBondContact OE1-NE 2.87Å; E18-R53 VanDerWaalsContact OE1-NE 3.12Å; E18-R53 IonicContact OE1-NH2 2.69Å; E18-R53 PolarHBondContact OE1-NH2 3.39Å; E18-R53 WeakPolarHBondContact OE2-CD 3.49Å; E18-R53 IonicContact OE2-CZ 3.59Å; E18-R53 IonicContact OE2-NE 2.71Å; E18-R53 PolarHBondContact OE2-NE 3.44Å; E18-R53 IonicContact OE2-NH2 3.65Å
19N98.1Very high97.6Very high80 Ų8071 Ų7143%0.42836%0.359SS..Hα-helixtrans-60.7-42.9176.1-74.4-15.4000111.2V15 A16 F21 K22 S23V15-N19 WeakPolarHBondContact O-CB 3.03Å; V15-N19 PolarHBondContact O-N 3.05Å; V15-N19 PolarHBondContact O-ND2 3.1Å; A16-N19 PolarHBondContact O-N 3.24Å; N19-F21 VanDerWaalsContact C-N 3.34Å; N19-F21 PolarHBondContact O-N 3.18Å; N19-K22 PolarHBondContact O-N 3.03Å; N19-K22 PolarHBondContact OD1-NZ 3.08Å; N19-S23 PolarHBondContact O-N 3.41Å; N19-S23 PolarHBondContact O-OG 3.34Å
20K98Very high97.8Very high49 Ų4973 Ų7321%0.21338%0.379CS..Hα-helixtrans-63.1-40.4173.5-177.565.2-173.5-86.80112A16 L17 E18 K22 S23 T24 L27 E31 L35 F50A16-K20 PolarHBondContact O-N 3.42Å; L17-K20 PolarHBondContact O-N 3.46Å; E18-K20 VanDerWaalsContact C-N 3.33Å; E18-K20 PolarHBondContact O-N 3.4Å; K20-K22 VanDerWaalsContact C-N 3.32Å; K20-K22 PolarHBondContact O-N 3Å; K20-S23 PolarHBondContact O-N 3.34Å; K20-T24 HydrophobicContact CD-CG2 4.27Å; K20-T24 VanDerWaalsContact CE-CG2 3.46Å; K20-T24 PolarHBondContact O-N 2.8Å; K20-L27 HydrophobicContact CD-CD2 4.16Å; K20-L27 HydrophobicContact CG-CD1 4.44Å; K20-L27 HydrophobicContact CG-CD2 3.84Å; K20-E31 VanDerWaalsContact CE-OE1 3.29Å; K20-E31 WeakPolarHBondContact CE-OE1 3.36Å; K20-E31 IonicContact NZ-OE1 2.89Å; K20-E31 PolarHBondContact NZ-OE1 2.76Å; K20-L35 HydrophobicContact CB-CD2 4.21Å; K20-L35 HydrophobicContact CG-CD2 4.04Å; K20-F50 HydrophobicContact CB-CZ 4.16Å; K20-F50 HydrophobicContact CG-CZ 3.83Å
21F98.2Very high97.8Very high7 Ų772.5 Ų72.53%0.03137%0.371CS..Hα-helixtrans-62.6-36.6179.4-174.5-95.4000113.2L17 E18 N19 S23 T24 R25 W49 F50 R53 R54 W57L17-F21 WeakPolarHBondContact O-CB 3.38Å; L17-F21 PolarHBondContact O-N 3.12Å; E18-F21 WeakPolarHBondContact O-CB 3.26Å; E18-F21 PolarHBondContact O-N 3.02Å; E18-F21 VanDerWaalsContact O-N 3.14Å; N19-F21 VanDerWaalsContact C-N 3.34Å; N19-F21 PolarHBondContact O-N 3.18Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 3.1Å; F21-T24 WeakPolarHBondContact CA-O 3.03Å; F21-T24 CarbonylContact O-C 3.56Å; F21-T24 VanDerWaalsContact O-C 3.28Å; F21-T24 PolarHBondContact O-N 3.31Å; F21-R25 HydrophobicContact CE1-CG 4.13Å; F21-R25 HydrophobicContact CE2-CB 4.02Å; F21-R25 HydrophobicContact CE2-CG 4.1Å; F21-R25 HydrophobicContact CZ-CB 4.17Å; F21-R25 HydrophobicContact CZ-CG 3.81Å; F21-W49 HydrophobicContact CB-CH2 4.19Å; F21-W49 HydrophobicContact CB-CZ3 4.11Å; F21-W49 HydrophobicContact CD2-CZ3 4.48Å; F21-F50 HydrophobicContact CB-CE1 4.21Å; F21-F50 HydrophobicContact CB-CZ 4.42Å; F21-F50 AromaticContact CD2-CD1 3.94Å; F21-F50 HydrophobicContact CD2-CD1 3.94Å; F21-F50 AromaticContact CD2-CE1 3.86Å; F21-F50 HydrophobicContact CD2-CE1 3.86Å; F21-R53 HydrophobicContact CB-CG 4.41Å; F21-R53 HydrophobicContact CD1-CG 3.79Å; F21-R53 HydrophobicContact CD2-CB 4.07Å; F21-R53 HydrophobicContact CD2-CG 3.56Å; F21-R53 HydrophobicContact CE1-CG 3.88Å; F21-R53 HydrophobicContact CE2-CB 4.02Å; F21-R53 HydrophobicContact CE2-CG 3.65Å; F21-R53 HydrophobicContact CG-CG 3.64Å; F21-R53 HydrophobicContact CZ-CG 3.81Å; F21-R54 HydrophobicContact CE2-CG 3.79Å; F21-R54 HydrophobicContact CZ-CG 4.28Å; F21-W57 HydrophobicContact CE1-CB 4.12Å; F21-W57 AromaticContact CE1-CD1 3.9Å; F21-W57 HydrophobicContact CE1-CG 4.06Å; F21-W57 HydrophobicContact CZ-CB 3.91Å; F21-W57 HydrophobicContact CZ-CG 4.06Å
22K96.9Very high97.9Very high149 Ų14966 Ų6665%0.64835%0.345SS*.Hα-helixtrans-61.4-38.6174.9-69.7170.5-174.6167.70111.9E18 N19 K20E18-K22 WeakPolarHBondContact O-CG 3.48Å; E18-K22 PolarHBondContact O-N 3.44Å; N19-K22 PolarHBondContact O-N 3.03Å; N19-K22 PolarHBondContact OD1-NZ 3.08Å; K20-K22 VanDerWaalsContact C-N 3.32Å; K20-K22 PolarHBondContact O-N 3Å
23S96.6Very high97.9Very high106 Ų10662.2 Ų62.274%0.74133%0.33SS*.Hα-helixtrans-75.5-41177.7-52.80000112.4N19 K20 F21N19-S23 PolarHBondContact O-N 3.41Å; N19-S23 PolarHBondContact O-OG 3.34Å; K20-S23 PolarHBondContact O-N 3.34Å; F21-S23 VanDerWaalsContact C-N 3.29Å; F21-S23 PolarHBondContact O-N 3.1Å
24T97Very high97.9Very high44 Ų4464.2 Ų64.227%0.2735%0.348SS..  trans-149.2131.8176.4176.70000111.9K20 F21 Y26 L27K20-T24 HydrophobicContact CD-CG2 4.27Å; K20-T24 VanDerWaalsContact CE-CG2 3.46Å; K20-T24 PolarHBondContact O-N 2.8Å; F21-T24 WeakPolarHBondContact CA-O 3.03Å; F21-T24 CarbonylContact O-C 3.56Å; F21-T24 VanDerWaalsContact O-C 3.28Å; F21-T24 PolarHBondContact O-N 3.31Å; T24-Y26 VanDerWaalsContact C-N 3.31Å; T24-Y26 PolarHBondContact OG1-N 3.38Å; T24-Y26 PolarHBondContact OG1-O 2.85Å; T24-L27 HydrophobicContact CG2-CD2 3.6Å
25R96.9Very high97.9Very high49 Ų4962 Ų6219%0.18534%0.336CS..SBendtrans-80.7-13.6179.7-62.6-172.9-81.3149.2-12.1113F21 R54F21-R25 HydrophobicContact CE1-CG 4.13Å; F21-R25 HydrophobicContact CE2-CB 4.02Å; F21-R25 HydrophobicContact CE2-CG 4.1Å; F21-R25 HydrophobicContact CZ-CB 4.17Å; F21-R25 HydrophobicContact CZ-CG 3.81Å; R25-R54 WeakPolarHBondContact O-CD 3.47Å; R25-R54 PolarHBondContact O-NH1 3.02Å
26Y98.2Very high97.9Very high146 Ų14659.7 Ų59.757%0.57332%0.323SS*.SBendtrans-131.3131.9180-63.6-87000110.4T24 R54T24-Y26 VanDerWaalsContact C-N 3.31Å; T24-Y26 PolarHBondContact OG1-N 3.38Å; T24-Y26 PolarHBondContact OG1-O 2.85Å; Y26-R54 VanDerWaalsContact CZ-CD 3.44Å
27L97.4Very high97.9Very high16 Ų1664.7 Ų64.78%0.08434%0.344CS..  trans-106.8132.5178.1-63.2-171.2000110.7K20 T24 E31 R32 L35 V46 F50K20-L27 HydrophobicContact CD-CD2 4.16Å; K20-L27 HydrophobicContact CG-CD1 4.44Å; K20-L27 HydrophobicContact CG-CD2 3.84Å; T24-L27 HydrophobicContact CG2-CD2 3.6Å; L27-E31 HydrophobicContact CB-CB 4.24Å; L27-E31 HydrophobicContact CD2-CB 4.2Å; L27-R32 HydrophobicContact CB-CG 3.53Å; L27-R32 HydrophobicContact CD1-CG 3.95Å; L27-R32 HydrophobicContact CG-CG 4.38Å; L27-R32 PolarHBondContact O-NH1 3.29Å; L27-L35 HydrophobicContact CD1-CD2 3.93Å; L27-V46 HydrophobicContact CD1-CG1 4.11Å; L27-F50 HydrophobicContact CD1-CD1 4.26Å; L27-F50 HydrophobicContact CD1-CD2 3.74Å; L27-F50 HydrophobicContact CD1-CE1 3.88Å; L27-F50 HydrophobicContact CD1-CE2 3.33Å; L27-F50 HydrophobicContact CD1-CG 4.2Å; L27-F50 HydrophobicContact CD1-CZ 3.42Å; L27-F50 VanDerWaalsContact CD1-CZ 3.42Å; L27-F50 HydrophobicContact CD2-CE1 4.01Å; L27-F50 HydrophobicContact CD2-CZ 4.05Å; L27-F50 HydrophobicContact CG-CD1 3.93Å; L27-F50 HydrophobicContact CG-CD2 4.3Å; L27-F50 HydrophobicContact CG-CE1 3.6Å; L27-F50 HydrophobicContact CG-CE2 4.03Å; L27-F50 HydrophobicContact CG-CG 4.27Å; L27-F50 HydrophobicContact CG-CZ 3.68Å
28S97.9Very high97.9Very high58 Ų5868.8 Ų68.841%0.40637%0.373SS..  trans-63.7165.9163.4660000111.2C30 E31 R32S28-C30 PolarHBondContact O-N 3.16Å; S28-E31 WeakPolarHBondContact CB-OE2 3.4Å; S28-E31 PolarHBondContact N-OE2 3Å; S28-E31 PolarHBondContact O-N 3.36Å; S28-E31 WeakPolarHBondContact OG-CB 3.4Å; S28-E31 WeakPolarHBondContact OG-CG 3.45Å; S28-E31 PolarHBondContact OG-N 3.38Å; S28-E31 PolarHBondContact OG-OE2 2.9Å; S28-R32 WeakPolarHBondContact O-CG 3.23Å; S28-R32 PolarHBondContact O-N 3.37Å
29V98.1Very high97.9Very high80 Ų8067.6 Ų67.649%0.48537%0.368SS..Hα-helixtrans-57.7-49.9179.2-177.40000110.7E31 R32 L33V29-E31 VanDerWaalsContact C-N 3.32Å; V29-E31 PolarHBondContact O-N 3.12Å; V29-R32 PolarHBondContact O-N 3.49Å; V29-R32 VanDerWaalsContact O-N 3.15Å; V29-L33 HydrophobicContact CG1-CD1 4.11Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.24Å
30C98Very high97.9Very high96 Ų9671 Ų7165%0.64939%0.386SS*.Hα-helixtrans-59.2-42.2-179.9-58.30000112.2S28 L33 S34S28-C30 PolarHBondContact O-N 3.16Å; C30-L33 PolarHBondContact O-N 3.41Å; C30-S34 WeakPolarHBondContact O-CB 3.42Å; C30-S34 PolarHBondContact O-N 3.14Å
31E98.4Very high97.8Very high64 Ų6469.9 Ų69.930%0.29938%0.382SS..Hα-helixtrans-67-36.5177.6-72.6176.297.300113.3K20 L27 S28 V29 L35K20-E31 VanDerWaalsContact CE-OE1 3.29Å; K20-E31 WeakPolarHBondContact CE-OE1 3.36Å; K20-E31 IonicContact NZ-OE1 2.89Å; K20-E31 PolarHBondContact NZ-OE1 2.76Å; L27-E31 HydrophobicContact CB-CB 4.24Å; L27-E31 HydrophobicContact CD2-CB 4.2Å; S28-E31 WeakPolarHBondContact CB-OE2 3.4Å; S28-E31 PolarHBondContact N-OE2 3Å; S28-E31 PolarHBondContact O-N 3.36Å; S28-E31 WeakPolarHBondContact OG-CB 3.4Å; S28-E31 WeakPolarHBondContact OG-CG 3.45Å; S28-E31 PolarHBondContact OG-N 3.38Å; S28-E31 PolarHBondContact OG-OE2 2.9Å; V29-E31 VanDerWaalsContact C-N 3.32Å; V29-E31 PolarHBondContact O-N 3.12Å; E31-L35 WeakPolarHBondContact O-CB 3.29Å; E31-L35 PolarHBondContact O-N 3.07Å
32R98.3Very high97.8Very high50 Ų5072 Ų7219%0.18940%0.398CS..Hα-helixtrans-64.8-44.1174.4-71.4-165.3-56.4-1006.4111L27 S28 V29 L35 A36 E43 V46L27-R32 HydrophobicContact CB-CG 3.53Å; L27-R32 HydrophobicContact CD1-CG 3.95Å; L27-R32 HydrophobicContact CG-CG 4.38Å; L27-R32 PolarHBondContact O-NH1 3.29Å; S28-R32 WeakPolarHBondContact O-CG 3.23Å; S28-R32 PolarHBondContact O-N 3.37Å; V29-R32 PolarHBondContact O-N 3.49Å; V29-R32 VanDerWaalsContact O-N 3.15Å; R32-L35 PolarHBondContact O-N 3.11Å; R32-A36 WeakPolarHBondContact O-CB 3.39Å; R32-A36 PolarHBondContact O-N 3.48Å; R32-E43 HydrophobicContact CB-CG 3.77Å; R32-E43 IonicContact CZ-OE1 3.86Å; R32-E43 VanDerWaalsContact CZ-OE1 3.27Å; R32-E43 IonicContact NE-OE1 3.34Å; R32-E43 PolarHBondContact NE-OE1 3.22Å; R32-E43 IonicContact NH2-OE1 3.44Å; R32-E43 PolarHBondContact NH2-OE1 3.1Å; R32-V46 HydrophobicContact CG-CG1 4.45Å
33L98.5Very high97.8Very high79 Ų7967.9 Ų67.941%0.41438%0.381SS..Hα-helixtrans-62.8-47.2179-68.1172.7000111.2V29 C30 L35 A36 L37 E43V29-L33 HydrophobicContact CG1-CD1 4.11Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.24Å; C30-L33 PolarHBondContact O-N 3.41Å; L33-L35 PolarHBondContact O-N 3.25Å; L33-A36 PolarHBondContact O-N 3.45Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.45Å; L33-E43 HydrophobicContact CD2-CB 4.05Å; L33-E43 HydrophobicContact CD2-CG 3.92Å; L33-E43 HydrophobicContact CG-CG 4.45Å
34S98.4Very high97.8Very high74 Ų7466.5 Ų66.552%0.51737%0.369SS..Hα-helixtrans-58.5-47.6176.7174.20000111.8C30 A36 L37 S38C30-S34 WeakPolarHBondContact O-CB 3.42Å; C30-S34 PolarHBondContact O-N 3.14Å; S34-A36 PolarHBondContact O-N 3.17Å; S34-L37 PolarHBondContact O-N 3.31Å; S34-S38 PolarHBondContact O-N 2.71Å; S34-S38 VanDerWaalsContact O-N 3.07Å; S34-S38 PolarHBondContact O-OG 3.43Å
35L98.3Very high97.8Very high22 Ų2266.6 Ų66.612%0.11537%0.366CS..Hα-helixtrans-67.3-37.6179.7-171.162.7000112.7L17 K20 L27 E31 R32 L33 S38 L39 V46 F50L17-L35 HydrophobicContact CD2-CD2 3.88Å; L17-L35 HydrophobicContact CD2-CG 4.48Å; K20-L35 HydrophobicContact CB-CD2 4.21Å; K20-L35 HydrophobicContact CG-CD2 4.04Å; L27-L35 HydrophobicContact CD1-CD2 3.93Å; E31-L35 WeakPolarHBondContact O-CB 3.29Å; E31-L35 PolarHBondContact O-N 3.07Å; R32-L35 PolarHBondContact O-N 3.11Å; L33-L35 PolarHBondContact O-N 3.25Å; L35-S38 PolarHBondContact O-N 3.12Å; L35-L39 HydrophobicContact CD1-CD1 3.85Å; L35-L39 HydrophobicContact CD1-CG 4.21Å; L35-L39 HydrophobicContact CG-CD1 3.99Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 3.49Å; L35-L39 VanDerWaalsContact O-N 3.14Å; L35-V46 HydrophobicContact CD2-CG1 4Å; L35-F50 HydrophobicContact CD2-CE2 3.9Å; L35-F50 HydrophobicContact CD2-CZ 4.4Å
36A98.3Very high97.8Very high5 Ų564.2 Ų64.24%0.04136%0.357CS..Hα-helixtrans-61-45.7176.800000111.2R32 L33 S34 L39 N40 L41 V46R32-A36 WeakPolarHBondContact O-CB 3.39Å; R32-A36 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 3.45Å; S34-A36 PolarHBondContact O-N 3.17Å; A36-L39 PolarHBondContact O-N 3.37Å; A36-N40 PolarHBondContact O-N 3.4Å; A36-N40 VanDerWaalsContact O-N 3.1Å; A36-L41 CarbonylContact C-O 3.45Å; A36-L41 WeakPolarHBondContact CB-O 3.42Å; A36-L41 PolarHBondContact O-N 3.12Å; A36-L41 VanDerWaalsContact O-O 3.11Å; A36-V46 HydrophobicContact CB-CG2 3.91Å
37L98.3Very high97.7Very high136 Ų13662.1 Ų62.171%0.71235%0.351SS*.Hα-helixtrans-62.5-47.5176.3-68.7172000111.9L33 S34 L39 N40L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.45Å; S34-L37 PolarHBondContact O-N 3.31Å; L37-L39 PolarHBondContact O-N 2.96Å; L37-N40 PolarHBondContact O-N 3.41Å
38S98Very high97.7Very high87 Ų8765.2 Ų65.261%0.60837%0.367SS*.Hα-helixtrans-63.9-25-179-60.90000114.1S34 L35S34-S38 PolarHBondContact O-N 2.71Å; S34-S38 VanDerWaalsContact O-N 3.07Å; S34-S38 PolarHBondContact O-OG 3.43Å; L35-S38 PolarHBondContact O-N 3.12Å
39L97.8Very high97.7Very high23 Ų2363.9 Ų63.912%0.1235%0.352CS..THydrogen-bonded Turntrans-105.93.7-178.1-61.1-177.7000113.7Q13 A16 L17 L35 A36 L37 L41Q13-L39 HydrophobicContact CG-CB 4.4Å; Q13-L39 PolarHBondContact NE2-O 3.27Å; A16-L39 HydrophobicContact CB-CD1 4.09Å; A16-L39 HydrophobicContact CB-CD2 3.62Å; A16-L39 HydrophobicContact CB-CG 4.46Å; L17-L39 HydrophobicContact CD2-CD1 4Å; L17-L39 HydrophobicContact CG-CD1 3.81Å; L35-L39 HydrophobicContact CD1-CD1 3.85Å; L35-L39 HydrophobicContact CD1-CG 4.21Å; L35-L39 HydrophobicContact CG-CD1 3.99Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 3.49Å; L35-L39 VanDerWaalsContact O-N 3.14Å; A36-L39 PolarHBondContact O-N 3.37Å; L37-L39 PolarHBondContact O-N 2.96Å; L39-L41 VanDerWaalsContact C-N 3.27Å; L39-L41 HydrophobicContact CB-CD1 4.18Å; L39-L41 HydrophobicContact CB-CG 4.15Å; L39-L41 PolarHBondContact O-N 2.69Å
40N97.8Very high97.7Very high151 Ų15160.2 Ų60.281%0.80733%0.33SS*.THydrogen-bonded Turntrans52.343.6-172.7-6098.1000113A36 L37A36-N40 PolarHBondContact O-N 3.4Å; A36-N40 VanDerWaalsContact O-N 3.1Å; L37-N40 PolarHBondContact O-N 3.41Å
41L97.1Very high97.6Very high25 Ų2560 Ų6013%0.13132%0.319CS..  trans-116.1164.7175.7-64179.3000110.4F9 L17 A36 L39 Q45 V46F9-L41 HydrophobicContact CD1-CD1 4.11Å; F9-L41 HydrophobicContact CD1-CD2 3.83Å; F9-L41 HydrophobicContact CE1-CD1 3.98Å; F9-L41 HydrophobicContact CE1-CD2 3.7Å; F9-L41 HydrophobicContact CE1-CG 4.49Å; F9-L41 HydrophobicContact CZ-CD1 4.45Å; L17-L41 HydrophobicContact CD1-CD1 4.43Å; A36-L41 CarbonylContact C-O 3.45Å; A36-L41 WeakPolarHBondContact CB-O 3.42Å; A36-L41 PolarHBondContact O-N 3.12Å; A36-L41 VanDerWaalsContact O-O 3.11Å; L39-L41 VanDerWaalsContact C-N 3.27Å; L39-L41 HydrophobicContact CB-CD1 4.18Å; L39-L41 HydrophobicContact CB-CG 4.15Å; L39-L41 PolarHBondContact O-N 2.69Å; L41-Q45 HydrophobicContact CB-CB 4.45Å; L41-V46 HydrophobicContact CB-CG2 4.25Å
42S96.8Very high97.5Very high53 Ų5358.8 Ų58.837%0.37132%0.315SS..  trans-80.7151.5168.364.60000111.6T44 Q45 V46S42-T44 PolarHBondContact O-N 3.39Å; S42-T44 VanDerWaalsContact O-N 3.16Å; S42-Q45 WeakPolarHBondContact O-CB 3.49Å; S42-Q45 PolarHBondContact O-N 3.14Å; S42-Q45 WeakPolarHBondContact OG-CB 3.39Å; S42-Q45 VanDerWaalsContact OG-CG 3.26Å; S42-Q45 WeakPolarHBondContact OG-CG 3.39Å; S42-Q45 PolarHBondContact OG-N 2.87Å; S42-Q45 PolarHBondContact OG-OE1 2.99Å; S42-V46 PolarHBondContact O-N 2.99Å; S42-V46 VanDerWaalsContact O-N 3.1Å
43E97.8Very high97.4Very high61 Ų6158 Ų5829%0.28531%0.312SS..Hα-helixtrans-53.8-38.2173.5-165.1-154.7155.400111.4R32 L33 V46 K47R32-E43 HydrophobicContact CB-CG 3.77Å; R32-E43 IonicContact CZ-OE1 3.86Å; R32-E43 VanDerWaalsContact CZ-OE1 3.27Å; R32-E43 IonicContact NE-OE1 3.34Å; R32-E43 PolarHBondContact NE-OE1 3.22Å; R32-E43 IonicContact NH2-OE1 3.44Å; R32-E43 PolarHBondContact NH2-OE1 3.1Å; L33-E43 HydrophobicContact CD2-CB 4.05Å; L33-E43 HydrophobicContact CD2-CG 3.92Å; L33-E43 HydrophobicContact CG-CG 4.45Å; E43-V46 PolarHBondContact O-N 3.44Å; E43-K47 VanDerWaalsContact O-CB 3.27Å; E43-K47 WeakPolarHBondContact O-CB 3.48Å; E43-K47 PolarHBondContact O-N 3.44Å
44T96.3Very high97.4Very high78 Ų7856.3 Ų56.348%0.47930%0.3SS..Hα-helixtrans-63.8-41.5177.8-68.40000111.9S42 K47 I48S42-T44 PolarHBondContact O-N 3.39Å; S42-T44 VanDerWaalsContact O-N 3.16Å; T44-K47 PolarHBondContact O-N 3.34Å; T44-I48 HydrophobicContact CG2-CD1 3.65Å; T44-I48 HydrophobicContact CG2-CG1 4.32Å; T44-I48 WeakPolarHBondContact O-CB 3.45Å; T44-I48 WeakPolarHBondContact O-CG1 3.41Å; T44-I48 PolarHBondContact O-N 3.46Å
45Q96.5Very high97.1Very high45 Ų4554.3 Ų54.321%0.2129%0.285CS..Hα-helixtrans-62.9-44.8175.3-78.6164.3-51.800111.6T7 F9 L41 S42 I48 W49T7-Q45 PolarHBondContact OG1-NE2 3.04Å; F9-Q45 HydrophobicContact CE1-CB 4.29Å; F9-Q45 HydrophobicContact CE1-CG 4.41Å; F9-Q45 HydrophobicContact CZ-CB 4.02Å; F9-Q45 HydrophobicContact CZ-CG 4.36Å; L41-Q45 HydrophobicContact CB-CB 4.45Å; S42-Q45 WeakPolarHBondContact O-CB 3.49Å; S42-Q45 PolarHBondContact O-N 3.14Å; S42-Q45 WeakPolarHBondContact OG-CB 3.39Å; S42-Q45 VanDerWaalsContact OG-CG 3.26Å; S42-Q45 WeakPolarHBondContact OG-CG 3.39Å; S42-Q45 PolarHBondContact OG-N 2.87Å; S42-Q45 PolarHBondContact OG-OE1 2.99Å; Q45-I48 PolarHBondContact O-N 3.45Å; Q45-W49 WeakPolarHBondContact O-CB 3.47Å; Q45-W49 PolarHBondContact O-N 3.44Å
46V97.3Very high96.9Very high0 Ų058.1 Ų58.10%030%0.301CS..Hα-helixtrans-62-46175.61780000110.7L17 L27 R32 L35 A36 L41 S42 E43 I48 W49 F50L17-V46 HydrophobicContact CD2-CG1 4.33Å; L27-V46 HydrophobicContact CD1-CG1 4.11Å; R32-V46 HydrophobicContact CG-CG1 4.45Å; L35-V46 HydrophobicContact CD2-CG1 4Å; A36-V46 HydrophobicContact CB-CG2 3.91Å; L41-V46 HydrophobicContact CB-CG2 4.25Å; S42-V46 PolarHBondContact O-N 2.99Å; S42-V46 VanDerWaalsContact O-N 3.1Å; E43-V46 PolarHBondContact O-N 3.44Å; V46-I48 PolarHBondContact O-N 3.09Å; V46-W49 PolarHBondContact O-N 3.15Å; V46-F50 HydrophobicContact CG1-CD2 3.88Å; V46-F50 HydrophobicContact CG1-CE2 4.08Å; V46-F50 WeakPolarHBondContact O-CD2 3.27Å; V46-F50 PolarHBondContact O-N 3.38Å
47K97.2Very high96.7Very high101 Ų10160.4 Ų60.444%0.43931%0.308SS..Hα-helixtrans-56.4-48.7176.4-179.3-179.471.9102.30111.7E43 T44 F50 Q51E43-K47 VanDerWaalsContact O-CB 3.27Å; E43-K47 WeakPolarHBondContact O-CB 3.48Å; E43-K47 PolarHBondContact O-N 3.44Å; T44-K47 PolarHBondContact O-N 3.34Å; K47-F50 PolarHBondContact O-N 2.81Å; K47-Q51 WeakPolarHBondContact O-CB 3.15Å; K47-Q51 PolarHBondContact O-N 2.76Å
48I96.8Very high96.3Very high82 Ų8259.5 Ų59.542%0.42130%0.299SS..Hα-helixtrans-64-43.8178.4-69.7166.4000110.1T44 Q45 V46 F50 Q51 N52T44-I48 HydrophobicContact CG2-CD1 3.65Å; T44-I48 HydrophobicContact CG2-CG1 4.32Å; T44-I48 WeakPolarHBondContact O-CB 3.45Å; T44-I48 WeakPolarHBondContact O-CG1 3.41Å; T44-I48 PolarHBondContact O-N 3.46Å; Q45-I48 PolarHBondContact O-N 3.45Å; V46-I48 PolarHBondContact O-N 3.09Å; I48-F50 PolarHBondContact O-N 3.44Å; I48-Q51 PolarHBondContact O-N 3.33Å; I48-N52 VanDerWaalsContact O-CB 3.29Å; I48-N52 WeakPolarHBondContact O-CB 3.47Å; I48-N52 PolarHBondContact O-N 3.47Å; I48-N52 PolarHBondContact O-OD1 2.99Å
49W97.3Very high95.8Very high29 Ų2962.1 Ų62.111%0.1130%0.299CS..Hα-helixtrans-61.3-44.9178.2-173.496.2000111.7F9 L17 F21 Q45 V46 Q51 N52 R53F9-W49 AromaticContact CD2-CD1 3.8Å; F9-W49 HydrophobicContact CE2-CB 4.17Å; F9-W49 AromaticContact CE2-CD1 3.63Å; F9-W49 HydrophobicContact CE2-CG 4.23Å; L17-W49 VanDerWaalsContact C-CH2 3.45Å; L17-W49 HydrophobicContact CB-CD2 3.9Å; L17-W49 HydrophobicContact CB-CE3 3.86Å; L17-W49 HydrophobicContact CB-CH2 3.62Å; L17-W49 HydrophobicContact CB-CZ2 3.62Å; L17-W49 HydrophobicContact CB-CZ3 3.74Å; L17-W49 HydrophobicContact CD1-CD2 3.87Å; L17-W49 HydrophobicContact CD1-CE3 4.48Å; L17-W49 HydrophobicContact CD1-CG 3.88Å; L17-W49 HydrophobicContact CD2-CD2 4.22Å; L17-W49 HydrophobicContact CD2-CE3 4.05Å; L17-W49 HydrophobicContact CG-CD2 4.23Å; L17-W49 HydrophobicContact CG-CE3 4.36Å; L17-W49 WeakPolarHBondContact O-CH2 3.39Å; F21-W49 HydrophobicContact CB-CH2 4.19Å; F21-W49 HydrophobicContact CB-CZ3 4.11Å; F21-W49 HydrophobicContact CD2-CZ3 4.48Å; Q45-W49 WeakPolarHBondContact O-CB 3.47Å; Q45-W49 PolarHBondContact O-N 3.44Å; V46-W49 PolarHBondContact O-N 3.15Å; W49-Q51 PolarHBondContact O-N 2.87Å; W49-N52 CarbonylContact O-C 3.28Å; W49-N52 WeakPolarHBondContact O-CA 3.34Å; W49-N52 WeakPolarHBondContact O-CB 3.44Å; W49-N52 PolarHBondContact O-N 3.43Å; W49-N52 VanDerWaalsContact O-N 3.11Å; W49-R53 HydrophobicContact CD2-CB 4.46Å; W49-R53 HydrophobicContact CE3-CB 4.04Å; W49-R53 HydrophobicContact CH2-CB 3.93Å; W49-R53 HydrophobicContact CH2-CG 3.63Å; W49-R53 HydrophobicContact CZ2-CB 4.39Å; W49-R53 HydrophobicContact CZ2-CG 4.25Å; W49-R53 HydrophobicContact CZ3-CB 3.75Å; W49-R53 HydrophobicContact CZ3-CG 3.85Å; W49-R53 WeakPolarHBondContact O-CB 3.36Å; W49-R53 PolarHBondContact O-N 3.47Å
50F98.4Very high95.4Very high3 Ų366.2 Ų66.21%0.01332%0.318CS..Hα-helixtrans-64.6-40.4177.3-94.3-96.6000112.4L17 K20 F21 L27 L35 V46 K47 I48 N52 R53 R54L17-F50 HydrophobicContact CD2-CE2 4.07Å; K20-F50 HydrophobicContact CB-CZ 4.16Å; K20-F50 HydrophobicContact CG-CZ 3.83Å; F21-F50 HydrophobicContact CB-CE1 4.21Å; F21-F50 HydrophobicContact CB-CZ 4.42Å; F21-F50 AromaticContact CD2-CD1 3.94Å; F21-F50 HydrophobicContact CD2-CD1 3.94Å; F21-F50 AromaticContact CD2-CE1 3.86Å; F21-F50 HydrophobicContact CD2-CE1 3.86Å; L27-F50 HydrophobicContact CD1-CD1 4.26Å; L27-F50 HydrophobicContact CD1-CD2 3.74Å; L27-F50 HydrophobicContact CD1-CE1 3.88Å; L27-F50 HydrophobicContact CD1-CE2 3.33Å; L27-F50 HydrophobicContact CD1-CG 4.2Å; L27-F50 HydrophobicContact CD1-CZ 3.42Å; L27-F50 VanDerWaalsContact CD1-CZ 3.42Å; L27-F50 HydrophobicContact CD2-CE1 4.01Å; L27-F50 HydrophobicContact CD2-CZ 4.05Å; L27-F50 HydrophobicContact CG-CD1 3.93Å; L27-F50 HydrophobicContact CG-CD2 4.3Å; L27-F50 HydrophobicContact CG-CE1 3.6Å; L27-F50 HydrophobicContact CG-CE2 4.03Å; L27-F50 HydrophobicContact CG-CG 4.27Å; L27-F50 HydrophobicContact CG-CZ 3.68Å; L35-F50 HydrophobicContact CD2-CE2 3.9Å; L35-F50 HydrophobicContact CD2-CZ 4.4Å; V46-F50 HydrophobicContact CG1-CD2 3.88Å; V46-F50 HydrophobicContact CG1-CE2 4.08Å; V46-F50 WeakPolarHBondContact O-CD2 3.27Å; V46-F50 PolarHBondContact O-N 3.38Å; K47-F50 PolarHBondContact O-N 2.81Å; I48-F50 PolarHBondContact O-N 3.44Å; F50-N52 VanDerWaalsContact C-N 3.26Å; F50-N52 PolarHBondContact O-N 3.44Å; F50-R53 PolarHBondContact O-N 3.45Å; F50-R54 WeakPolarHBondContact O-CG 3.2Å; F50-R54 PolarHBondContact O-N 3.08Å
51Q96.7Very high94.7Very high91 Ų9161.3 Ų61.343%0.42529%0.291SS..Hα-helixtrans-59.2-44.3172.1-173.858.345.100110.6K47 I48 W49 R53 R54 T55 Y144K47-Q51 WeakPolarHBondContact O-CB 3.15Å; K47-Q51 PolarHBondContact O-N 2.76Å; I48-Q51 PolarHBondContact O-N 3.33Å; W49-Q51 PolarHBondContact O-N 2.87Å; Q51-R53 PolarHBondContact O-N 2.9Å; Q51-R54 PolarHBondContact O-N 3.01Å; Q51-T55 PolarHBondContact O-N 3.24Å; Q51-T55 PolarHBondContact O-OG1 3.48Å; Q51-Y144 PolarHBondContact O-OH 3.13Å
52N95.4Very high93.6Very high39 Ų3965.6 Ų65.621%0.20932%0.321CS..Hα-helixtrans-62.8-44.6179.2-72.7-4.6000113I48 W49 F50 T55 K56 Y144I48-N52 VanDerWaalsContact O-CB 3.29Å; I48-N52 WeakPolarHBondContact O-CB 3.47Å; I48-N52 PolarHBondContact O-N 3.47Å; I48-N52 PolarHBondContact O-OD1 2.99Å; W49-N52 CarbonylContact O-C 3.28Å; W49-N52 WeakPolarHBondContact O-CA 3.34Å; W49-N52 WeakPolarHBondContact O-CB 3.44Å; W49-N52 PolarHBondContact O-N 3.43Å; W49-N52 VanDerWaalsContact O-N 3.11Å; F50-N52 VanDerWaalsContact C-N 3.26Å; F50-N52 PolarHBondContact O-N 3.44Å; N52-T55 PolarHBondContact O-N 2.83Å; N52-K56 PolarHBondContact O-N 3.32Å; N52-K56 VanDerWaalsContact O-N 3.12Å; N52-Y144 VanDerWaalsContact CA-OH 3.23Å; N52-Y144 WeakPolarHBondContact CA-OH 3.35Å; N52-Y144 HydrophobicContact CB-CD1 4.17Å; N52-Y144 HydrophobicContact CB-CE1 3.35Å; N52-Y144 WeakPolarHBondContact OD1-CE1 3.43Å; N52-Y144 PolarHBondContact OD1-OH 2.99Å; N52-Y144 VanDerWaalsContact OD1-OH 3.08Å
53R97.4Very high92.4Very high35 Ų3566 Ų6613%0.13233%0.334CS..Hα-helixtrans-65.1-42.5-179.3-17165.9-171.4101.9-4.5112E18 F21 W49 F50 Q51 K56 W57E18-R53 VanDerWaalsContact CD-NE 3.33Å; E18-R53 IonicContact OE1-CZ 3.32Å; E18-R53 IonicContact OE1-NE 3.12Å; E18-R53 PolarHBondContact OE1-NE 2.87Å; E18-R53 VanDerWaalsContact OE1-NE 3.12Å; E18-R53 IonicContact OE1-NH2 2.69Å; E18-R53 PolarHBondContact OE1-NH2 3.39Å; E18-R53 WeakPolarHBondContact OE2-CD 3.49Å; E18-R53 IonicContact OE2-CZ 3.59Å; E18-R53 IonicContact OE2-NE 2.71Å; E18-R53 PolarHBondContact OE2-NE 3.44Å; E18-R53 IonicContact OE2-NH2 3.65Å; F21-R53 HydrophobicContact CB-CG 4.41Å; F21-R53 HydrophobicContact CD1-CG 3.79Å; F21-R53 HydrophobicContact CD2-CB 4.07Å; F21-R53 HydrophobicContact CD2-CG 3.56Å; F21-R53 HydrophobicContact CE1-CG 3.88Å; F21-R53 HydrophobicContact CE2-CB 4.02Å; F21-R53 HydrophobicContact CE2-CG 3.65Å; F21-R53 HydrophobicContact CG-CG 3.64Å; F21-R53 HydrophobicContact CZ-CG 3.81Å; W49-R53 HydrophobicContact CD2-CB 4.46Å; W49-R53 HydrophobicContact CE3-CB 4.04Å; W49-R53 HydrophobicContact CH2-CB 3.93Å; W49-R53 HydrophobicContact CH2-CG 3.63Å; W49-R53 HydrophobicContact CZ2-CB 4.39Å; W49-R53 HydrophobicContact CZ2-CG 4.25Å; W49-R53 HydrophobicContact CZ3-CB 3.75Å; W49-R53 HydrophobicContact CZ3-CG 3.85Å; W49-R53 WeakPolarHBondContact O-CB 3.36Å; W49-R53 PolarHBondContact O-N 3.47Å; F50-R53 PolarHBondContact O-N 3.45Å; Q51-R53 PolarHBondContact O-N 2.9Å; R53-K56 PolarHBondContact O-N 3.31Å; R53-W57 WeakPolarHBondContact O-CB 3.33Å; R53-W57 PolarHBondContact O-N 3.16Å
54R96.8Very high90.8Very high42 Ų4268.1 Ų68.116%0.15835%0.346CS..Hα-helixtrans-59.7-45.7175.5-77.3-169.6-66-90.81.4112.3F21 R25 Y26 F50 Q51 K56 W57 K58F21-R54 HydrophobicContact CE2-CG 3.79Å; F21-R54 HydrophobicContact CZ-CG 4.28Å; R25-R54 WeakPolarHBondContact O-CD 3.47Å; R25-R54 PolarHBondContact O-NH1 3.02Å; Y26-R54 VanDerWaalsContact CZ-CD 3.44Å; F50-R54 WeakPolarHBondContact O-CG 3.2Å; F50-R54 PolarHBondContact O-N 3.08Å; Q51-R54 PolarHBondContact O-N 3.01Å; R54-K56 VanDerWaalsContact C-N 3.33Å; R54-K56 PolarHBondContact O-N 3.45Å; R54-W57 WeakPolarHBondContact O-CB 3.43Å; R54-W57 PolarHBondContact O-N 2.95Å; R54-K58 PolarHBondContact O-N 3.41Å
55T93.4Very high88.9Confident32 Ų3270.9 Ų70.920%0.19635%0.353CS..Hα-helixtrans-69.4-32.5-179.8-10.10000112.4Q51 N52 K59 Y144Q51-T55 PolarHBondContact O-N 3.24Å; Q51-T55 PolarHBondContact O-OG1 3.48Å; N52-T55 PolarHBondContact O-N 2.83Å; T55-K59 WeakPolarHBondContact O-CG 3.25Å; T55-K59 PolarHBondContact O-N 2.89Å; T55-Y144 HydrophobicContact CG2-CE1 4.02Å; T55-Y144 HydrophobicContact CG2-CE2 3.82Å; T55-Y144 WeakPolarHBondContact CG2-OH 3.37Å; T55-Y144 PolarHBondContact OG1-OH 2.76Å
56K93.9Very high86.7Confident103 Ų10374.9 Ų74.945%0.44838%0.381SS..Hα-helixtrans-63.4-45.7168.4-178.3174.9-178-770111.5N52 R53 R54 K58 K59 Q60N52-K56 PolarHBondContact O-N 3.32Å; N52-K56 VanDerWaalsContact O-N 3.12Å; R53-K56 PolarHBondContact O-N 3.31Å; R54-K56 VanDerWaalsContact C-N 3.33Å; R54-K56 PolarHBondContact O-N 3.45Å; K56-K58 PolarHBondContact O-N 3.05Å; K56-K59 PolarHBondContact O-N 3.16Å; K56-Q60 VanDerWaalsContact NZ-NE2 3.13Å; K56-Q60 WeakPolarHBondContact O-CG 3.35Å; K56-Q60 PolarHBondContact O-N 2.91Å
57W94.2Very high84.7Confident52 Ų5279.1 Ų79.120%0.19742%0.416CS..Hα-helixtrans-59.3-44.8179.8178.985.9000111.9F21 R53 R54 K59 Q60 N61F21-W57 HydrophobicContact CE1-CB 4.12Å; F21-W57 AromaticContact CE1-CD1 3.9Å; F21-W57 HydrophobicContact CE1-CG 4.06Å; F21-W57 HydrophobicContact CZ-CB 3.91Å; F21-W57 HydrophobicContact CZ-CG 4.06Å; R53-W57 WeakPolarHBondContact O-CB 3.33Å; R53-W57 PolarHBondContact O-N 3.16Å; R54-W57 WeakPolarHBondContact O-CB 3.43Å; R54-W57 PolarHBondContact O-N 2.95Å; W57-K59 VanDerWaalsContact C-N 3.33Å; W57-K59 PolarHBondContact O-N 3.18Å; W57-Q60 PolarHBondContact O-N 2.85Å; W57-Q60 VanDerWaalsContact O-N 3.12Å; W57-N61 HydrophobicContact CZ2-CB 4.46Å; W57-N61 PolarHBondContact O-N 3.11Å; W57-N61 VanDerWaalsContact O-N 3.14Å; W57-N61 PolarHBondContact O-ND2 3.27Å
58K90Very high82.5Confident118 Ų11881.4 Ų81.451%0.51343%0.428SS..Hα-helixtrans-61-39.8177.1-173.4166.768.2167.10112.6R54 K56 Q60 N61 E65R54-K58 PolarHBondContact O-N 3.41Å; K56-K58 PolarHBondContact O-N 3.05Å; K58-Q60 VanDerWaalsContact C-N 3.29Å; K58-Q60 PolarHBondContact O-N 3.49Å; K58-N61 PolarHBondContact O-N 3.44Å; K58-E65 VanDerWaalsContact CD-OE1 3.27Å; K58-E65 WeakPolarHBondContact CD-OE1 3.4Å; K58-E65 WeakPolarHBondContact CG-OE1 3.32Å
59K87.2Confident80.1Confident141 Ų14186 Ų8661%0.61345%0.448SS*.Hα-helixtrans-66.4-29.4175.9-72.1-178.7175.7-168.70113.5T55 K56 W57T55-K59 WeakPolarHBondContact O-CG 3.25Å; T55-K59 PolarHBondContact O-N 2.89Å; K56-K59 PolarHBondContact O-N 3.16Å; W57-K59 VanDerWaalsContact C-N 3.33Å; W57-K59 PolarHBondContact O-N 3.18Å
60Q88.7Confident77.6Confident110 Ų11090.4 Ų90.451%0.51447%0.473SS..Hα-helixtrans-86.9-16.3-178.5-67.2-177-60.700113.2K56 W57 K58 P62K56-Q60 VanDerWaalsContact NZ-NE2 3.13Å; K56-Q60 WeakPolarHBondContact O-CG 3.35Å; K56-Q60 PolarHBondContact O-N 2.91Å; W57-Q60 PolarHBondContact O-N 2.85Å; W57-Q60 VanDerWaalsContact O-N 3.12Å; K58-Q60 VanDerWaalsContact C-N 3.29Å; K58-Q60 PolarHBondContact O-N 3.49Å; Q60-P62 VanDerWaalsContact C-CD 3.4Å; Q60-P62 WeakPolarHBondContact O-CD 3.17Å
61N83.4Confident75.1Confident47 Ų4795.7 Ų95.725%0.25151%0.511SS..  trans-127.761.6-176.2-60.8-88.4000111W57 K58 G63 I64W57-N61 HydrophobicContact CZ2-CB 4.46Å; W57-N61 PolarHBondContact O-N 3.11Å; W57-N61 VanDerWaalsContact O-N 3.14Å; W57-N61 PolarHBondContact O-ND2 3.27Å; K58-N61 PolarHBondContact O-N 3.44Å; N61-G63 PolarHBondContact O-N 3.14Å; N61-G63 VanDerWaalsContact O-N 3.11Å; N61-I64 HydrophobicContact CB-CD1 3.87Å; N61-I64 HydrophobicContact CB-CG1 4.14Å; N61-I64 PolarHBondContact O-N 2.94Å
62P74.5Confident73.1Confident115 Ų11598.9 Ų98.975%0.74752%0.523SS*.THydrogen-bonded Turntrans-64.1112.4176.428.2-33000109.2Q60Q60-P62 VanDerWaalsContact C-CD 3.4Å; Q60-P62 WeakPolarHBondContact O-CD 3.17Å
63G70.6Confident70.8Confident63 Ų63105.1 Ų105.165%0.64955%0.549SS*.THydrogen-bonded Turntrans111.2-5.317500000116.7N61 E65N61-G63 PolarHBondContact O-N 3.14Å; N61-G63 VanDerWaalsContact O-N 3.11Å; G63-E65 PolarHBondContact O-N 3.46Å
64I64.5Low68.4Low104 Ų104108.3 Ų108.353%0.53358%0.582SS.*  trans-90.842.3172-41.4-179.6000110.2N61N61-I64 HydrophobicContact CB-CD1 3.87Å; N61-I64 HydrophobicContact CB-CG1 4.14Å; N61-I64 PolarHBondContact O-N 2.94Å
65E56Low66.3Low137 Ų137111.6 Ų111.664%0.6461%0.607SS**  trans-93.73.4-175.7-48.3-142.8127.400113.1K58 G63K58-E65 VanDerWaalsContact CD-OE1 3.27Å; K58-E65 WeakPolarHBondContact CD-OE1 3.4Å; K58-E65 WeakPolarHBondContact CG-OE1 3.32Å; G63-E65 PolarHBondContact O-N 3.46Å
66T51.3Low64.4Low129 Ų129116.8 Ų116.879%0.79163%0.634SS**SBendtrans-103.4123.5178.7-28.80000109.8
67A54.4Low62.2Low89 Ų89119.8 Ų119.874%0.73665%0.651SS**SBendtrans90.933.2163.900000120.3
68Q51Low60Low148 Ų148122.5 Ų122.569%0.69268%0.678SS**  trans-128.955.6149.5-72.4-160.9-25.900110.4
69E46.4Very low58.1Low180 Ų180120.7 Ų120.784%0.84169%0.685SS**  trans-75.2139.4151.7-65.7-165.2107.300107.9
70D46.3Very low56.2Low120 Ų120122.9 Ų122.964%0.64270%0.696SS**  trans5269.3153-79.4-150.2000118.1F72D70-F72 HydrophobicContact CB-CD2 3.87Å; D70-F72 HydrophobicContact CB-CE2 4.3Å; D70-F72 PolarHBondContact O-N 3.2Å; D70-F72 WeakPolarHBondContact OD1-CD2 3.46Å; D70-F72 WeakPolarHBondContact OD1-CE2 3.48Å; D70-F72 WeakPolarHBondContact OD2-CD2 3.44Å; D70-F72 WeakPolarHBondContact OD2-CE2 3.27Å
71S45.6Very low54.9Low114 Ų114125.7 Ų125.780%0.79771%0.708SS**  trans-88.862.4137.5-115.90000108.6K73S71-K73 PolarHBondContact O-N 3.43Å
72F54.1Low53.8Low158 Ų158128.7 Ų128.769%0.69373%0.731SS**  trans-63.592.5147.9-69.1-71.2000104.9D70 A74D70-F72 HydrophobicContact CB-CD2 3.87Å; D70-F72 HydrophobicContact CB-CE2 4.3Å; D70-F72 PolarHBondContact O-N 3.2Å; D70-F72 WeakPolarHBondContact OD1-CD2 3.46Å; D70-F72 WeakPolarHBondContact OD1-CE2 3.48Å; D70-F72 WeakPolarHBondContact OD2-CD2 3.44Å; D70-F72 WeakPolarHBondContact OD2-CE2 3.27Å; F72-A74 PolarHBondContact O-N 3.48Å
73K47.6Very low52.6Low171 Ų171128.5 Ų128.574%0.74373%0.731SS**  trans-59.598.3162.6-72.7-166.3175.7-174.30105.5S71 T75S71-K73 PolarHBondContact O-N 3.43Å; K73-T75 PolarHBondContact O-N 3.39Å
74A46.3Very low52.1Low101 Ų101131.4 Ų131.484%0.83574%0.738SS**  trans-64.566.2163.100000107.6F72 N76F72-A74 PolarHBondContact O-N 3.48Å; A74-N76 VanDerWaalsContact C-N 3.31Å; A74-N76 PolarHBondContact O-N 3.47Å; A74-N76 VanDerWaalsContact O-N 3.12Å
75T52.4Low52Low111 Ų111132.4 Ų132.468%0.68175%0.749SS**  trans-81.293.9167.8-38.90000105.2K73 M77K73-T75 PolarHBondContact O-N 3.39Å; T75-M77 PolarHBondContact O-N 3.45Å
76N54Low52.4Low142 Ų142133.1 Ų133.176%0.75976%0.757SS**  trans12.7102.4158-1631.2000114.9A74 S78A74-N76 VanDerWaalsContact C-N 3.31Å; A74-N76 PolarHBondContact O-N 3.47Å; A74-N76 VanDerWaalsContact O-N 3.12Å; N76-S78 PolarHBondContact O-N 2.97Å
77M48.1Very low52.7Low165 Ų165135.3 Ų135.381%0.81376%0.76SS**  trans-55.8102.3170.6-64-94.389.100109.4T75T75-M77 PolarHBondContact O-N 3.45Å
78S48.2Very low51.9Low109 Ų109136.6 Ų136.676%0.76276%0.763SS**  trans-128.2131.4160.7-176.80000108.7N76N76-S78 PolarHBondContact O-N 2.97Å
79A48.6Very low51.5Low80 Ų80134.7 Ų134.766%0.66177%0.766SS**  trans6884177.800000115.6Q81A79-Q81 VanDerWaalsContact C-N 3.3Å; A79-Q81 PolarHBondContact O-N 3.49Å
80F48Very low51.5Low188 Ų188134 Ų13483%0.82577%0.767SS**  trans-42.297143.3-64.3-94000109.8P82F80-P82 WeakPolarHBondContact O-CD 3.41Å
81Q62.6Low51.5Low168 Ų168137.3 Ų137.379%0.78578%0.776SS**  trans-99.1101.6155.4-82.4-89.7-86.300105.4A79 C83A79-Q81 VanDerWaalsContact C-N 3.3Å; A79-Q81 PolarHBondContact O-N 3.49Å; Q81-C83 PolarHBondContact O-N 3.49Å; Q81-C83 VanDerWaalsContact O-N 3.13Å
82P59.2Low51.2Low111 Ų111135.9 Ų135.972%0.72177%0.766SS**  trans-60.8117.9172.1-1528.5000107.7F80 P84F80-P82 WeakPolarHBondContact O-CD 3.41Å; P82-P84 VanDerWaalsContact O-CD 3.31Å; P82-P84 WeakPolarHBondContact O-CD 3.29Å
83C48.5Very low51.2Low110 Ų110134.7 Ų134.774%0.74377%0.774SS**  trans-59.8120.9165.5-59.50000107.2Q81 V85Q81-C83 PolarHBondContact O-N 3.49Å; Q81-C83 VanDerWaalsContact O-N 3.13Å; C83-V85 PolarHBondContact O-N 3.34Å
84P61Low50.9Low124 Ų124131.8 Ų131.881%0.80577%0.77SS**  trans-66.8100.1176.525.6-31.2000108.4P82 N86P82-P84 VanDerWaalsContact O-CD 3.31Å; P82-P84 WeakPolarHBondContact O-CD 3.29Å; P84-N86 PolarHBondContact O-N 3.19Å
85V61.8Low50.8Low125 Ų125135.2 Ų135.276%0.75877%0.769SS**  trans-78.7102.2164.9-700000107C83 M87C83-V85 PolarHBondContact O-N 3.34Å; V85-M87 PolarHBondContact O-N 2.89Å
86N64.2Low50.6Low153 Ų153138.4 Ų138.482%0.81878%0.781SS**  trans-61.8102.5166.3-98.3-5.2000108.1P84 C88P84-N86 PolarHBondContact O-N 3.19Å; N86-C88 VanDerWaalsContact C-N 3.33Å; N86-C88 PolarHBondContact O-N 3.23Å
87M58.5Low49.6Very low174 Ų174134.6 Ų134.686%0.85778%0.775SS**  trans-70.191.1165.5-85-74.7-135.600108.1V85 S89V85-M87 PolarHBondContact O-N 2.89Å; M87-S89 VanDerWaalsContact C-N 3.35Å; M87-S89 PolarHBondContact O-N 3.03Å
88C37.8Very low49Very low117 Ų117132.4 Ų132.479%0.79178%0.777SS**  trans-68.696.9164.9-81.10000109.1N86 L90N86-C88 VanDerWaalsContact C-N 3.33Å; N86-C88 PolarHBondContact O-N 3.23Å; C88-L90 PolarHBondContact O-N 3.27Å
89S41.4Very low48.9Very low108 Ų108134.6 Ų134.676%0.75578%0.779SS**  trans-65.2107.9163.9-74.10000109.9M87M87-S89 VanDerWaalsContact C-N 3.35Å; M87-S89 PolarHBondContact O-N 3.03Å
90L46.8Very low48.3Very low165 Ų165137.6 Ų137.686%0.86478%0.779SS**  trans-150.989.7158.7-96.7119000112.1C88C88-L90 PolarHBondContact O-N 3.27Å
91K47.2Very low47.8Very low190 Ų190135.8 Ų135.883%0.82677%0.773SS**  60.4120.3126.3-150.9152.9-175.3-174.40119.9
92S38.6Very low46.8Very low83 Ų83133.5 Ų133.558%0.5877%0.771SS**  trans-51.1135.4164.250.10000114.3T94S92-T94 PolarHBondContact O-N 2.92Å
93P54.9Low45.9Very low134 Ų134134.5 Ų134.587%0.8778%0.775SS**  trans-83.3100.9147.4216.3000108.2
94T41.3Very low45.8Very low109 Ų109136.4 Ų136.467%0.66978%0.777SS**  trans-70.9133.9170.5-59.90000110S92S92-T94 PolarHBondContact O-N 2.92Å
95Q43.4Very low44.6Very low174 Ų174140.8 Ų140.881%0.81378%0.777SS**  trans45112.8148.9-60.1-79.1-1.400118.2
96L48.3Very low43.6Very low177 Ų177139.3 Ų139.393%0.92778%0.778SS**  trans-131.891.2156.6-132.9152.4000110.3
97G34.1Very low42.5Very low62 Ų62137.9 Ų137.964%0.63977%0.771SS**  47.2107.8127.300000119.9
98S35.5Very low41.5Very low120 Ų120133.1 Ų133.184%0.83977%0.766SS**  trans-36.9130.2147.5-174.60000114.3
99L44.8Very low42.2Very low154 Ų154133.9 Ų133.981%0.80677%0.766SS**  trans-158.5105.6141.4-162.869.8000110.5
100E36.1Very low42.5Very low144 Ų144133.5 Ų133.567%0.67376%0.762SS**  trans41.7121.1136-65.8-145.985.300122.2
101Q37Very low42.5Very low149 Ų149131 Ų13170%0.69676%0.756SS**  85.8106117.9-161.7176.198.600117.3
102T41.9Very low42.4Very low120 Ų120129 Ų12974%0.73675%0.753SS**  trans-152.193.4138.3-63.60000108.4L104T102-L104 HydrophobicContact CG2-CB 4.36Å; T102-L104 HydrophobicContact CG2-CD1 3.39Å; T102-L104 HydrophobicContact CG2-CG 3.48Å; T102-L104 VanDerWaalsContact CG2-CG 3.48Å; T102-L104 PolarHBondContact O-N 2.77Å
103V41.5Very low42.9Very low132 Ų132131.5 Ų131.580%0.876%0.76SS**  trans-71.2103.6163-86.20000107.9
104L46.6Very low42.3Very low150 Ų150131.9 Ų131.979%0.78576%0.755SS**  trans-133.3103.3167.4-65.2172.7000110.4T102T102-L104 HydrophobicContact CG2-CB 4.36Å; T102-L104 HydrophobicContact CG2-CD1 3.39Å; T102-L104 HydrophobicContact CG2-CG 3.48Å; T102-L104 VanDerWaalsContact CG2-CG 3.48Å; T102-L104 PolarHBondContact O-N 2.77Å
105R35.8Very low42.4Very low217 Ų217132.3 Ų132.382%0.81976%0.762SS**  trans72.7104.2140.9-159.3169.9170.4125.61.2118.4D107R105-D107 IonicContact CZ-OD2 3.27Å; R105-D107 IonicContact NE-OD2 2.87Å; R105-D107 PolarHBondContact NE-OD2 3.18Å; R105-D107 IonicContact NH2-OD2 2.77Å; R105-D107 PolarHBondContact NH2-OD2 3.01Å; R105-D107 PolarHBondContact O-N 2.87Å
106A40.6Very low42.3Very low94 Ų94125.9 Ų125.978%0.77774%0.743SS**  trans-57.7121.9152.700000111
107D40.4Very low42.3Very low123 Ų123125.4 Ų125.466%0.65874%0.74SS**  trans-137.8106144.6-102.9-71.1000104.9R105 V109R105-D107 IonicContact CZ-OD2 3.27Å; R105-D107 IonicContact NE-OD2 2.87Å; R105-D107 PolarHBondContact NE-OD2 3.18Å; R105-D107 IonicContact NH2-OD2 2.77Å; R105-D107 PolarHBondContact NH2-OD2 3.01Å; R105-D107 PolarHBondContact O-N 2.87Å; D107-V109 PolarHBondContact O-N 2.95Å
108G38.2Very low42.9Very low73 Ų73130.5 Ų130.575%0.75375%0.752SS**  trans-66.1112.2-17700000110.2P110G108-P110 VanDerWaalsContact O-CD 3.32Å; G108-P110 WeakPolarHBondContact O-CD 3.2Å
109V52.2Low43.8Very low133 Ų133130.4 Ų130.481%0.80675%0.748SS**  trans-95.2101.9157.1-177.60000105.8D107 C111D107-V109 PolarHBondContact O-N 2.95Å; V109-C111 PolarHBondContact O-N 3.35Å
110P48.3Very low43.7Very low101 Ų101128.1 Ų128.166%0.65675%0.745SS**  trans-60.6127.1175.423.9-30.7000108.4G108 I112G108-P110 VanDerWaalsContact O-CD 3.32Å; G108-P110 WeakPolarHBondContact O-CD 3.2Å; P110-I112 PolarHBondContact O-N 3.15Å
111C45.8Very low44.7Very low112 Ų112126.7 Ų126.776%0.75775%0.748SS**  trans-55.5102.3167.340.70000108.2V109 N113V109-C111 PolarHBondContact O-N 3.35Å; C111-N113 PolarHBondContact O-N 3.02Å
112I45.9Very low45Very low147 Ų147124.6 Ų124.675%0.75475%0.751SS**  trans-67.2104.9171.3-81.2146.1000106.8P110 N114P110-I112 PolarHBondContact O-N 3.15Å; I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.35Å
113N47.9Very low45Very low137 Ų137124.7 Ų124.773%0.73376%0.755SS**  trans-5890.3165.5-69.9-36.1000108.1C111 S115C111-N113 PolarHBondContact O-N 3.02Å; N113-S115 PolarHBondContact O-N 3.34Å; N113-S115 VanDerWaalsContact O-N 3.09Å
114N42.4Very low44.9Very low142 Ų142129.4 Ų129.476%0.75976%0.76SS**  trans-85.666.6164.2-13921.3000108.5I112 G116I112-N114 VanDerWaalsContact C-N 3.26Å; I112-N114 PolarHBondContact O-N 3.35Å; N114-G116 PolarHBondContact O-N 3.42Å
115S44.3Very low44.3Very low118 Ų118125.3 Ų125.383%0.82575%0.754SS**  trans-74.477.8157.7-52.90000106.2N113N113-S115 PolarHBondContact O-N 3.34Å; N113-S115 VanDerWaalsContact O-N 3.09Å
116G41.9Very low44.6Very low39 Ų39122.5 Ų122.540%0.40275%0.754SS.*  trans-165.897.7-168.600000112.7N114N114-G116 PolarHBondContact O-N 3.42Å
117L47.7Very low44.8Very low166 Ų166123 Ų12387%0.86976%0.758SS**  trans74.791.1146.9-51174.1000115.1P119L117-P119 VanDerWaalsContact O-CD 3.25Å; L117-P119 WeakPolarHBondContact O-CD 3.49Å
118L46.2Very low44.9Very low169 Ų169123.5 Ų123.589%0.88576%0.761SS**  trans-35.3115.5148.7-66.8117.7000111.1S120L118-S120 PolarHBondContact O-N 3.48Å
119P53.4Low44.8Very low118 Ų118123 Ų12377%0.76676%0.756SS**  trans-77.8105.3159.127.9-24.8000107.5L117 P121L117-P119 VanDerWaalsContact O-CD 3.25Å; L117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-P121 WeakPolarHBondContact O-CD 3.38Å; P119-P121 VanDerWaalsContact O-N 3.17Å
120S43.8Very low44.2Very low106 Ų106123.7 Ų123.774%0.74176%0.755SS**  trans-48.6113.2165.6-61.80000110.3L118 S122L118-S120 PolarHBondContact O-N 3.48Å; S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 2.96Å
121P56.2Low43.9Very low114 Ų114129.3 Ų129.374%0.7477%0.77SS**  trans-80.386.2165.513.92.3000107.2P119 C123P119-P121 WeakPolarHBondContact O-CD 3.38Å; P119-P121 VanDerWaalsContact O-N 3.17Å; P121-C123 PolarHBondContact O-N 3.33Å
122S43.5Very low43.4Very low106 Ų106125.9 Ų125.974%0.74175%0.753SS**  trans-7276.2162.3-165.10000108.5S120S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 2.96Å
123C41.9Very low43.3Very low122 Ų122127.1 Ų127.182%0.82476%0.761SS**  trans-134.456.1164.7-69.40000108.3P121 G125P121-C123 PolarHBondContact O-N 3.33Å; C123-G125 PolarHBondContact O-N 2.72Å
124Y39.1Very low42.8Very low230 Ų230123.1 Ų123.190%0.90275%0.752SS**  trans-72.7117.1159.4-72.7-84.2000107.6
125G34.4Very low43.2Very low65 Ų65123.3 Ų123.367%0.6775%0.751SS**  trans136.358.9163.100000115.7C123C123-G125 PolarHBondContact O-N 2.72Å
126L43.4Very low43.2Very low157 Ų157126.2 Ų126.282%0.82275%0.752SS**  trans-14796.8131.7-76.7-172.2000107.3N128L126-N128 VanDerWaalsContact C-N 3.26Å; L126-N128 PolarHBondContact O-N 2.89Å
127A44.4Very low43.7Very low104 Ų104127.9 Ų127.986%0.8676%0.757SS**  trans-63.288.8165.500000108.7
128N41.8Very low43.7Very low135 Ų135125.3 Ų125.372%0.72274%0.743SS**  trans-128.9115.5159.7-75.5-64.1000106.2L126 N130L126-N128 VanDerWaalsContact C-N 3.26Å; L126-N128 PolarHBondContact O-N 2.89Å; N128-N130 PolarHBondContact O-N 3.23Å; N128-N130 VanDerWaalsContact O-N 3.16Å
129G36.7Very low43.9Very low63 Ų63124 Ų12465%0.64974%0.736SS**  trans-42.1116.9-167.900000113.6F131G129-F131 WeakPolarHBondContact O-CD2 3.31Å; G129-F131 PolarHBondContact O-N 3.49Å
130N39.5Very low44Very low146 Ų146121.3 Ų121.378%0.78172%0.718SS**  trans18.572141-160.230.6000116.5N128 G132N128-N130 PolarHBondContact O-N 3.23Å; N128-N130 VanDerWaalsContact O-N 3.16Å; N130-G132 PolarHBondContact O-N 2.99Å; N130-G132 VanDerWaalsContact O-N 3.08Å; N130-G132 WeakPolarHBondContact OD1-CA 2.97Å
131F41.7Very low44.3Very low219 Ų219120.8 Ų120.896%0.96170%0.704SS**  trans-79.666.4152.8-75.1-82.8000108.3G129G129-F131 WeakPolarHBondContact O-CD2 3.31Å; G129-F131 PolarHBondContact O-N 3.49Å
132G36.1Very low43.9Very low40 Ų40118.9 Ų118.941%0.41269%0.693SS.*  trans-122.950.1-169.100000113.6N130N130-G132 PolarHBondContact O-N 2.99Å; N130-G132 VanDerWaalsContact O-N 3.08Å; N130-G132 WeakPolarHBondContact OD1-CA 2.97Å
133L42.7Very low44.3Very low173 Ų173121.3 Ų121.391%0.90669%0.691SS**  trans-133.266.5151.7-72.5-179.7000108.3
134G37.7Very low44.7Very low53 Ų53117.3 Ų117.355%0.54666%0.659SS.*  trans-63.4156.9165.400000111.5H136G134-H136 PolarHBondContact O-N 3.34Å; G134-H136 VanDerWaalsContact O-N 3.15Å
135I51.8Low45.1Very low146 Ų146116.3 Ų116.375%0.74965%0.653SS**SBendtrans73.2-25.9166.77569.7000120.3
136H43.9Very low45.8Very low180 Ų180117.4 Ų117.483%0.83364%0.643SS**SBendtrans-102.429.1178.8-149-114.2000116.3G134G134-H136 PolarHBondContact O-N 3.34Å; G134-H136 VanDerWaalsContact O-N 3.15Å
137S50.9Low46.3Very low73 Ų73112.9 Ų112.951%0.5163%0.625SS.*SBendtrans-137.9-15.7169-154.80000114.4L139 T140 Q141S137-L139 PolarHBondContact O-N 2.73Å; S137-T140 WeakPolarHBondContact O-CB 3.02Å; S137-T140 PolarHBondContact O-N 3.09Å; S137-T140 VanDerWaalsContact O-N 3.09Å; S137-Q141 PolarHBondContact O-N 2.98Å
138L48.2Very low46.6Very low112 Ų112115.8 Ų115.859%0.58662%0.618SS**Hα-helixtrans-72.4-25.7-179.8-79.295.3000113.2T140 Q141 S142L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 PolarHBondContact O-N 2.88Å; L138-Q141 PolarHBondContact O-N 3.06Å; L138-S142 PolarHBondContact O-N 2.88Å
139L50.4Low46.6Very low142 Ų142113.1 Ų113.174%0.74362%0.623SS**Hα-helixtrans-64.2-35.1168.3-101.886.3000111.5S137S137-L139 PolarHBondContact O-N 2.73Å
140T55.4Low47Very low62 Ų62118.6 Ų118.638%0.3863%0.633SS.*Hα-helixtrans-69.7-41174.4-33.30000110.1S137 L138 S142 F143 Y144S137-T140 WeakPolarHBondContact O-CB 3.02Å; S137-T140 PolarHBondContact O-N 3.09Å; S137-T140 VanDerWaalsContact O-N 3.09Å; L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 PolarHBondContact O-N 2.88Å; T140-S142 VanDerWaalsContact C-N 3.29Å; T140-S142 PolarHBondContact O-N 2.94Å; T140-F143 PolarHBondContact O-N 3.3Å; T140-F143 VanDerWaalsContact O-N 3.1Å; T140-Y144 HydrophobicContact CG2-CD2 4.49Å; T140-Y144 HydrophobicContact CG2-CE2 3.71Å; T140-Y144 WeakPolarHBondContact O-CD2 2.96Å
141Q50.6Low46.8Very low95 Ų95120.3 Ų120.344%0.44464%0.637SS.*Hα-helixtrans-63-30.9178.5-163.3164.240.600113.5S137 L138 F143 Y144 R145S137-Q141 PolarHBondContact O-N 2.98Å; L138-Q141 PolarHBondContact O-N 3.06Å; Q141-F143 VanDerWaalsContact C-N 3.25Å; Q141-F143 PolarHBondContact O-N 2.88Å; Q141-Y144 PolarHBondContact O-N 3.03Å; Q141-R145 PolarHBondContact O-N 3.41Å
142S48.1Very low47Very low74 Ų74117 Ų11752%0.51765%0.65SS.*Hα-helixtrans-67.2-24.6176-157.80000113.2L138 T140 L146L138-S142 PolarHBondContact O-N 2.88Å; T140-S142 VanDerWaalsContact C-N 3.29Å; T140-S142 PolarHBondContact O-N 2.94Å; S142-L146 WeakPolarHBondContact O-CD1 3.38Å
143F51.6Low47.5Very low157 Ų157120.9 Ų120.969%0.68966%0.662SS**Hα-helixtrans-72.7-33.3169-79.7-84.4000112.2T140 Q141T140-F143 PolarHBondContact O-N 3.3Å; T140-F143 VanDerWaalsContact O-N 3.1Å; Q141-F143 VanDerWaalsContact C-N 3.25Å; Q141-F143 PolarHBondContact O-N 2.88Å
144Y50.4Low47.8Very low37 Ų37118.2 Ų118.215%0.14565%0.649CS.*Hα-helixtrans-79.1-39.9178.6-67.4-87.2000114.4Q51 N52 T55 T140 Q141 L146 S147Q51-Y144 PolarHBondContact O-OH 3.13Å; N52-Y144 VanDerWaalsContact CA-OH 3.23Å; N52-Y144 WeakPolarHBondContact CA-OH 3.35Å; N52-Y144 HydrophobicContact CB-CD1 4.17Å; N52-Y144 HydrophobicContact CB-CE1 3.35Å; N52-Y144 WeakPolarHBondContact OD1-CE1 3.43Å; N52-Y144 PolarHBondContact OD1-OH 2.99Å; N52-Y144 VanDerWaalsContact OD1-OH 3.08Å; T55-Y144 HydrophobicContact CG2-CE1 4.02Å; T55-Y144 HydrophobicContact CG2-CE2 3.82Å; T55-Y144 WeakPolarHBondContact CG2-OH 3.37Å; T55-Y144 PolarHBondContact OG1-OH 2.76Å; T140-Y144 HydrophobicContact CG2-CD2 4.49Å; T140-Y144 HydrophobicContact CG2-CE2 3.71Å; T140-Y144 WeakPolarHBondContact O-CD2 2.96Å; Q141-Y144 PolarHBondContact O-N 3.03Å; Y144-L146 PolarHBondContact O-N 2.91Å; Y144-S147 WeakPolarHBondContact O-CB 3.43Å; Y144-S147 PolarHBondContact O-N 2.99Å
145R48.3Very low48.3Very low210 Ų210121.8 Ų121.879%0.79266%0.655SS**Hα-helixtrans-73.1-16.9-171.1-156.8-104.6-172.7-139.20.9113.6Q141Q141-R145 PolarHBondContact O-N 3.41Å
146L48.6Very low48.1Very low87 Ų87120.4 Ų120.446%0.45565%0.649SS.*THydrogen-bonded Turntrans-88-9.1172.2-74.4156.2000111.7R6 S142 Y144R6-L146 WeakPolarHBondContact CD-O 3.05Å; R6-L146 PolarHBondContact NE-O 3.35Å; R6-L146 PolarHBondContact NH1-O 2.87Å; S142-L146 WeakPolarHBondContact O-CD1 3.38Å; Y144-L146 PolarHBondContact O-N 2.91Å
147S53.6Low48.4Very low63 Ų63116.6 Ų116.644%0.44164%0.638SS.*SBendtrans-87.7-11.6-175.1-106.80000114.3R6 Y144R6-S147 PolarHBondContact NH1-OG 2.9Å; Y144-S147 WeakPolarHBondContact O-CB 3.43Å; Y144-S147 PolarHBondContact O-N 2.99Å
148F50.3Low48.2Very low164 Ų164119.5 Ų119.572%0.71965%0.646SS**  trans-114.882.4175.5-69.2-83.9000108M150F148-M150 PolarHBondContact O-N 3.12Å
149G41.3Very low48.2Very low79 Ų79120.1 Ų120.181%0.81465%0.65SS**  trans-65.979.1153.300000107.7H151G149-H151 VanDerWaalsContact C-N 3.31Å; G149-H151 PolarHBondContact O-N 3.41Å; G149-H151 VanDerWaalsContact O-N 3.16Å
150M46.4Very low48.1Very low178 Ų178118.4 Ų118.488%0.87764%0.643SS**  trans-70.2100.3156.2-90.1-154.7-160.200105.9F148 A152F148-M150 PolarHBondContact O-N 3.12Å; M150-A152 PolarHBondContact O-N 2.77Å
151H35.7Very low47.4Very low183 Ų183123.1 Ų123.185%0.84767%0.665SS**  trans-69.2113.9150.2-169.978.9000105.8G149G149-H151 VanDerWaalsContact C-N 3.31Å; G149-H151 PolarHBondContact O-N 3.41Å; G149-H151 VanDerWaalsContact O-N 3.16Å
152A44.5Very low47.2Very low150 Ų150125.6 Ų125.6100%1.2469%0.685SS**  trans-90.90147.400000106.5M150M150-A152 PolarHBondContact O-N 2.77Å

Retrieved 152 of 152 residues in 299.4 ms (Link to these results)

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