A0A077ZR64_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZR64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 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
1M39.7Very low52.1Low239 Ų239149.2 Ų149.2100%1.17780%0.801SS**  0100.60-94.9105.4114.700108.5
2N50.4Low52.4Low147 Ų147143.5 Ų143.579%0.78678%0.776SS**  trans-97.3106.5166.9-68.7-9.1000106.5Y4N2-Y4 PolarHBondContact O-N 3.42Å; N2-Y4 VanDerWaalsContact O-N 3.14Å
3H52.6Low52.5Low183 Ų183134.4 Ų134.485%0.84773%0.729SS**  trans-77.793.1173.5-166.974.9000107
4Y54.4Low52.7Low195 Ų195133.6 Ų133.677%0.76572%0.718SS**PPolyproline II helixtrans-71124.6168.7-98.3-87.9000107.8N2 S6N2-Y4 PolarHBondContact O-N 3.42Å; N2-Y4 VanDerWaalsContact O-N 3.14Å; Y4-S6 PolarHBondContact O-N 3.23Å
5P55.6Low53Low99 Ų99128.8 Ų128.864%0.64370%0.704SS**PPolyproline II helixtrans-64.2123174.826.7-31000107.9V7P5-V7 PolarHBondContact O-N 3.42Å
6S54.7Low53Low104 Ų104132.4 Ų132.473%0.72770%0.704SS**PPolyproline II helixtrans-58.5120.9170.6-74.30000108.7Y4 T8Y4-S6 PolarHBondContact O-N 3.23Å; S6-T8 WeakPolarHBondContact CB-OG1 3.43Å; S6-T8 PolarHBondContact O-N 3.13Å
7V58.1Low53.3Low138 Ų138126.9 Ų126.984%0.83668%0.678SS**  trans-66.523.3180-700000114P5 S9P5-V7 PolarHBondContact O-N 3.42Å; V7-S9 VanDerWaalsContact C-N 3.33Å; V7-S9 PolarHBondContact O-N 3.39Å
8T57Low53.5Low113 Ų113132.3 Ų132.369%0.69369%0.687SS**THydrogen-bonded Turntrans-89.918.9-164.2-25.90000114.2S6S6-T8 WeakPolarHBondContact CB-OG1 3.43Å; S6-T8 PolarHBondContact O-N 3.13Å
9S48.7Very low53.9Low119 Ų119128.7 Ų128.783%0.83268%0.675SS**THydrogen-bonded Turntrans-145.913.1177.9-59.70000116.2V7 E11V7-S9 VanDerWaalsContact C-N 3.33Å; V7-S9 PolarHBondContact O-N 3.39Å; S9-E11 PolarHBondContact O-N 3.33Å
10L51.1Low54.1Low154 Ų154127 Ų12781%0.80669%0.689SS**SBendtrans-83.7110.7157.3-98.599.4000107.7T12L10-T12 PolarHBondContact O-N 3.33Å
11E51Low54.7Low150 Ų150125.5 Ų125.570%0.70168%0.684SS**  trans-37.4113.1163.7-122.8-176.5117.100108.8S9S9-E11 PolarHBondContact O-N 3.33Å
12T55.5Low55.7Low81 Ų81119.3 Ų119.350%0.49766%0.662SS.*  trans-63.1135176.851.10000107.7L10 E14 A15L10-T12 PolarHBondContact O-N 3.33Å; T12-E14 PolarHBondContact O-N 3.37Å; T12-A15 WeakPolarHBondContact O-CB 3.28Å; T12-A15 PolarHBondContact O-N 2.81Å
13P53.2Low56.3Low25 Ų25116.2 Ų116.216%0.16265%0.65CS.*Hα-helixtrans-53.6-23.4176.432.3-46.4000112.2A15 R16 C17 Y34P13-A15 VanDerWaalsContact C-N 3.32Å; P13-R16 PolarHBondContact O-N 3.41Å; P13-C17 PolarHBondContact O-N 2.94Å; P13-C17 PolarHBondContact O-SG 3.09Å; P13-Y34 HydrophobicContact CB-CD2 4.18Å; P13-Y34 HydrophobicContact CB-CE2 3.61Å; P13-Y34 HydrophobicContact CG-CD1 4.03Å; P13-Y34 HydrophobicContact CG-CD2 3.53Å; P13-Y34 HydrophobicContact CG-CE1 3.69Å; P13-Y34 HydrophobicContact CG-CE2 3.26Å; P13-Y34 HydrophobicContact CG-CG 3.97Å
14E56.3Low57Low123 Ų123113 Ų11358%0.57564%0.638SS**Hα-helixtrans-66.4-33.7-179.3-49-169.3-171.300111.7T12 R16 C17 R18T12-E14 PolarHBondContact O-N 3.37Å; E14-R16 VanDerWaalsContact C-N 3.28Å; E14-R16 PolarHBondContact O-N 2.82Å; E14-C17 PolarHBondContact O-N 2.89Å; E14-R18 PolarHBondContact O-N 3.38Å
15A56.3Low57.7Low62 Ų62109.1 Ų109.151%0.51264%0.637SS.*Hα-helixtrans-67-31.4177.400000111.9T12 P13T12-A15 WeakPolarHBondContact O-CB 3.28Å; T12-A15 PolarHBondContact O-N 2.81Å; P13-A15 VanDerWaalsContact C-N 3.32Å
16R54.1Low58.3Low186 Ų186106.4 Ų106.470%0.70262%0.623SS**Hα-helixtrans-81.7-29.7179.1-160140.1-172.8163.30.5113P13 E14 R18 S19P13-R16 PolarHBondContact O-N 3.41Å; E14-R16 VanDerWaalsContact C-N 3.28Å; E14-R16 PolarHBondContact O-N 2.82Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R16-S19 PolarHBondContact O-OG 3.46Å
17C57.4Low59Low39 Ų39102 Ų10226%0.26459%0.592SS.*Hα-helixtrans-78.3-13.8179.7-59.30000113.7P13 E14 C27P13-C17 PolarHBondContact O-N 2.94Å; P13-C17 PolarHBondContact O-SG 3.09Å; E14-C17 PolarHBondContact O-N 2.89Å; C17-C27 VanDerWaalsContact SG-CB 3.57Å; C17-C27 PolarHBondContact SG-SG 3.12Å
18R57.9Low59.5Low224 Ų224104.1 Ų104.185%0.84559%0.585SS**THydrogen-bonded Turntrans-87.4-1.7174.3-86.2-170.8-170.2-177.15.9115.2E14 R16 G20E14-R18 PolarHBondContact O-N 3.38Å; R16-R18 VanDerWaalsContact C-N 3.32Å; R18-G20 PolarHBondContact O-N 3.41Å
19S60.4Low60.4Low65 Ų65104.5 Ų104.546%0.45558%0.579SS.*SBendtrans-65132.5163.364.30000107.4R16 V21R16-S19 PolarHBondContact O-OG 3.46Å; S19-V21 PolarHBondContact O-N 3.26Å
20G58.6Low61.5Low93 Ų93105.1 Ų105.196%0.95956%0.563SS**SBendtrans-64.930-175.400000115.8R18R18-G20 PolarHBondContact O-N 3.41Å
21V65.8Low62.5Low97 Ų97103.1 Ų103.159%0.58855%0.549SS*.SBendtrans-92136.9176.4-172.70000107.7S19S19-V21 PolarHBondContact O-N 3.26Å
22P61.1Low63.8Low108 Ų10898.6 Ų98.670%0.70154%0.535SS*.PPolyproline II helixtrans-54.1135.5177.921.1-32.7000110.6L24P22-L24 PolarHBondContact O-N 3.1Å; P22-L24 VanDerWaalsContact O-N 3.16Å
23P62.7Low65.3Low82 Ų8298.3 Ų98.353%0.53253%0.529SS..PPolyproline II helixtrans-62.5122.1-171.722.9-31.8000110C27P23-C27 HydrophobicContact CB-CB 4.23Å
24L67.5Low66.9Low116 Ų116101.8 Ų101.861%0.60754%0.54SS*.PPolyproline II helixtrans-57.2148.4168.9-67.8170.7000108.9P22 A26 C27P22-L24 PolarHBondContact O-N 3.1Å; P22-L24 VanDerWaalsContact O-N 3.16Å; L24-A26 PolarHBondContact O-N 3.14Å; L24-C27 WeakPolarHBondContact O-CB 3.31Å; L24-C27 PolarHBondContact O-N 3Å
25P68.3Low68.4Low114 Ų11498 Ų9874%0.7453%0.534SS*.Hα-helixtrans-55.1-26.8176.619.3-30.8000112.7C27 Q29P25-C27 VanDerWaalsContact C-N 3.32Å; P25-C27 PolarHBondContact O-N 3.01Å; P25-Q29 PolarHBondContact O-N 3.26Å
26A69.3Low70.2Confident41 Ų41100.6 Ų100.634%0.33954%0.539SS..Hα-helixtrans-65.5-26.9172.900000114.3L24 R30L24-A26 PolarHBondContact O-N 3.14Å; A26-R30 WeakPolarHBondContact O-CB 3.36Å; A26-R30 WeakPolarHBondContact O-CD 3.41Å; A26-R30 WeakPolarHBondContact O-CG 3.28Å; A26-R30 PolarHBondContact O-N 2.7Å; A26-R30 VanDerWaalsContact O-N 3.08Å
27C68.3Low72.1Confident13 Ų1395.7 Ų95.79%0.08853%0.525CS..Hα-helixtrans-70.8-44.8179-61.50000111.3C17 P23 L24 P25 Q29 R30 E31C17-C27 VanDerWaalsContact SG-CB 3.57Å; C17-C27 PolarHBondContact SG-SG 3.12Å; P23-C27 HydrophobicContact CB-CB 4.23Å; L24-C27 WeakPolarHBondContact O-CB 3.31Å; L24-C27 PolarHBondContact O-N 3Å; P25-C27 VanDerWaalsContact C-N 3.32Å; P25-C27 PolarHBondContact O-N 3.01Å; C27-Q29 PolarHBondContact O-N 2.87Å; C27-R30 PolarHBondContact O-N 3.4Å; C27-R30 VanDerWaalsContact O-N 3.17Å; C27-E31 WeakPolarHBondContact O-CG 3.33Å; C27-E31 PolarHBondContact O-N 2.9Å
28R69.5Low73.7Confident182 Ų18298.5 Ų98.569%0.68754%0.535SS*.Hα-helixtrans-61.7-42.8177.2-68.6-170.4173.7-159.8-1.5112.5R30 E31 S32R28-R30 VanDerWaalsContact C-N 3.31Å; R28-E31 PolarHBondContact O-N 3.45Å; R28-S32 PolarHBondContact O-N 2.89Å
29Q74.8Confident75.5Confident121 Ų12192.2 Ų92.257%0.56552%0.517SS*.Hα-helixtrans-67.2-34.9177.1-172.264.89.700111.8P25 C27 S32 I33P25-Q29 PolarHBondContact O-N 3.26Å; C27-Q29 PolarHBondContact O-N 2.87Å; Q29-S32 PolarHBondContact O-OG 3.49Å; Q29-I33 HydrophobicContact CG-CD1 4.1Å; Q29-I33 WeakPolarHBondContact O-CD1 3.27Å; Q29-I33 VanDerWaalsContact O-CG1 3.22Å; Q29-I33 WeakPolarHBondContact O-CG1 3.24Å; Q29-I33 PolarHBondContact O-N 3.45Å
30R71.8Confident77.1Confident132 Ų13295.6 Ų95.650%0.49852%0.524SS..Hα-helixtrans-66.5-51.8174-78.7172.8-172.6148.61.4110.3A26 C27 R28 S32 I33 Y34A26-R30 WeakPolarHBondContact O-CB 3.36Å; A26-R30 WeakPolarHBondContact O-CD 3.41Å; A26-R30 WeakPolarHBondContact O-CG 3.28Å; A26-R30 PolarHBondContact O-N 2.7Å; A26-R30 VanDerWaalsContact O-N 3.08Å; C27-R30 PolarHBondContact O-N 3.4Å; C27-R30 VanDerWaalsContact O-N 3.17Å; R28-R30 VanDerWaalsContact C-N 3.31Å; R30-S32 VanDerWaalsContact C-N 3.25Å; R30-S32 PolarHBondContact O-N 3.44Å; R30-I33 CarbonylContact O-C 3.56Å; R30-I33 WeakPolarHBondContact O-CA 3.41Å; R30-I33 PolarHBondContact O-N 2.87Å; R30-Y34 HydrophobicContact CB-CD2 4Å; R30-Y34 HydrophobicContact CB-CE2 3.88Å; R30-Y34 HydrophobicContact CG-CE2 4.25Å; R30-Y34 WeakPolarHBondContact O-CD2 3.3Å; R30-Y34 PolarHBondContact O-N 2.91Å
31E72.7Confident78.9Confident111 Ų11195.5 Ų95.552%0.51950%0.501SS..Hα-helixtrans-51.8-42.3179.6-74.7167.1-168.300112.7C27 R28 Y34 G35C27-E31 WeakPolarHBondContact O-CG 3.33Å; C27-E31 PolarHBondContact O-N 2.9Å; R28-E31 PolarHBondContact O-N 3.45Å; E31-Y34 PolarHBondContact O-N 3.22Å; E31-G35 PolarHBondContact O-N 3.21Å
32S77.9Confident80.3Confident56 Ų5694.9 Ų94.939%0.39249%0.491SS..Hα-helixtrans-65.4-42.9175.465.40000112.6R28 Q29 R30 G35 L36R28-S32 PolarHBondContact O-N 2.89Å; Q29-S32 PolarHBondContact O-OG 3.49Å; R30-S32 VanDerWaalsContact C-N 3.25Å; R30-S32 PolarHBondContact O-N 3.44Å; S32-G35 PolarHBondContact O-N 3.2Å; S32-L36 VanDerWaalsContact O-CG 3.31Å; S32-L36 WeakPolarHBondContact O-CG 3.46Å; S32-L36 PolarHBondContact O-N 3.05Å
33I87.7Confident82Confident74 Ų7493.5 Ų93.538%0.37948%0.478SS..Hα-helixtrans-64.8-43.6176.6-67.9167.2000111.2Q29 R30 G35 L36 I37Q29-I33 HydrophobicContact CG-CD1 4.1Å; Q29-I33 WeakPolarHBondContact O-CD1 3.27Å; Q29-I33 VanDerWaalsContact O-CG1 3.22Å; Q29-I33 WeakPolarHBondContact O-CG1 3.24Å; Q29-I33 PolarHBondContact O-N 3.45Å; R30-I33 CarbonylContact O-C 3.56Å; R30-I33 WeakPolarHBondContact O-CA 3.41Å; R30-I33 PolarHBondContact O-N 2.87Å; I33-G35 PolarHBondContact O-N 2.86Å; I33-L36 PolarHBondContact O-N 3.09Å; I33-I37 HydrophobicContact CG2-CD1 3.68Å; I33-I37 HydrophobicContact CG2-CG1 4.26Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.35Å; I33-I37 PolarHBondContact O-N 2.91Å
34Y85.8Confident83.5Confident98 Ų9893 Ų9338%0.38447%0.473SS..Hα-helixtrans-63.4-41.3177.9-78.3-79.6000111.5P13 R30 E31 L36 I37 E38P13-Y34 HydrophobicContact CB-CD2 4.18Å; P13-Y34 HydrophobicContact CB-CE2 3.61Å; P13-Y34 HydrophobicContact CG-CD1 4.03Å; P13-Y34 HydrophobicContact CG-CD2 3.53Å; P13-Y34 HydrophobicContact CG-CE1 3.69Å; P13-Y34 HydrophobicContact CG-CE2 3.26Å; P13-Y34 HydrophobicContact CG-CG 3.97Å; R30-Y34 HydrophobicContact CB-CD2 4Å; R30-Y34 HydrophobicContact CB-CE2 3.88Å; R30-Y34 HydrophobicContact CG-CE2 4.25Å; R30-Y34 WeakPolarHBondContact O-CD2 3.3Å; R30-Y34 PolarHBondContact O-N 2.91Å; E31-Y34 PolarHBondContact O-N 3.22Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.97Å; Y34-I37 PolarHBondContact O-N 3.22Å; Y34-E38 WeakPolarHBondContact O-CB 3.45Å; Y34-E38 PolarHBondContact O-N 3.49Å
35G88.9Confident84.8Confident45 Ų4593.6 Ų93.646%0.46447%0.472SS..Hα-helixtrans-60.9-39.8172.600000113.1E31 S32 I33 L39E31-G35 PolarHBondContact O-N 3.21Å; S32-G35 PolarHBondContact O-N 3.2Å; I33-G35 PolarHBondContact O-N 2.86Å; G35-L39 WeakPolarHBondContact O-CB 3.2Å; G35-L39 PolarHBondContact O-N 3.36Å; G35-L39 VanDerWaalsContact O-N 3.08Å
36L93.9Very high85.9Confident116 Ų11696.6 Ų96.661%0.60747%0.468SS*.Hα-helixtrans-67.7-40.1175.2-71.2174.4000112.6S32 I33 Y34 L39 F40S32-L36 VanDerWaalsContact O-CG 3.31Å; S32-L36 WeakPolarHBondContact O-CG 3.46Å; S32-L36 PolarHBondContact O-N 3.05Å; I33-L36 PolarHBondContact O-N 3.09Å; Y34-L36 VanDerWaalsContact C-N 3.33Å; Y34-L36 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 3.48Å; L36-F40 WeakPolarHBondContact O-CB 3.26Å; L36-F40 PolarHBondContact O-N 2.88Å
37I93.3Very high87.1Confident82 Ų82100 Ų10042%0.42148%0.48SS..Hα-helixtrans-64-46177-70.2166.9000110.3I33 Y34 L39 F40 I41I33-I37 HydrophobicContact CG2-CD1 3.68Å; I33-I37 HydrophobicContact CG2-CG1 4.26Å; I33-I37 VanDerWaalsContact O-CG1 3.29Å; I33-I37 WeakPolarHBondContact O-CG1 3.35Å; I33-I37 PolarHBondContact O-N 2.91Å; Y34-I37 PolarHBondContact O-N 3.22Å; I37-L39 PolarHBondContact O-N 3.32Å; I37-F40 PolarHBondContact O-N 2.93Å; I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.36Å; I37-I41 VanDerWaalsContact O-CG1 3.28Å; I37-I41 WeakPolarHBondContact O-CG1 3.44Å; I37-I41 PolarHBondContact O-N 2.66Å
38E91.7Very high88.3Confident99 Ų99101.7 Ų101.746%0.46349%0.493SS..Hα-helixtrans-61.1-45.3178.5-176.554.3-141.600111.2Y34 F40 I41 Q42Y34-E38 WeakPolarHBondContact O-CB 3.45Å; Y34-E38 PolarHBondContact O-N 3.49Å; E38-F40 VanDerWaalsContact C-N 3.34Å; E38-F40 PolarHBondContact O-N 2.85Å; E38-I41 PolarHBondContact O-N 3.26Å; E38-Q42 VanDerWaalsContact O-CG 3.29Å; E38-Q42 WeakPolarHBondContact O-CG 3.2Å; E38-Q42 PolarHBondContact O-N 2.89Å; E38-Q42 PolarHBondContact OE1-NE2 3.5Å
39L94.8Very high89.4Confident91 Ų9194.9 Ų94.948%0.47647%0.471SS..Hα-helixtrans-60.4-43.7174.3-179.963.5000111.9G35 L36 I37 Q42 I43G35-L39 WeakPolarHBondContact O-CB 3.2Å; G35-L39 PolarHBondContact O-N 3.36Å; G35-L39 VanDerWaalsContact O-N 3.08Å; L36-L39 PolarHBondContact O-N 3.48Å; I37-L39 PolarHBondContact O-N 3.32Å; L39-Q42 PolarHBondContact O-N 3.41Å; L39-I43 HydrophobicContact CD1-CD1 4.21Å; L39-I43 HydrophobicContact CD1-CG1 4.47Å; L39-I43 HydrophobicContact CG-CD1 3.94Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.44Å; L39-I43 PolarHBondContact O-N 3.47Å
40F95.7Very high90.2Very high137 Ų13796.1 Ų96.160%0.60147%0.471SS*.Hα-helixtrans-62.5-45178.6-179.8-107.2000111.9L36 I37 E38 Q42 I43 V44L36-F40 WeakPolarHBondContact O-CB 3.26Å; L36-F40 PolarHBondContact O-N 2.88Å; I37-F40 PolarHBondContact O-N 2.93Å; E38-F40 VanDerWaalsContact C-N 3.34Å; E38-F40 PolarHBondContact O-N 2.85Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.48Å; F40-I43 PolarHBondContact O-N 3.29Å; F40-V44 HydrophobicContact CD1-CG2 4.33Å; F40-V44 HydrophobicContact CD2-CG2 4.39Å; F40-V44 HydrophobicContact CE1-CG2 3.91Å; F40-V44 HydrophobicContact CE2-CG2 3.97Å; F40-V44 HydrophobicContact CZ-CG2 3.71Å; F40-V44 WeakPolarHBondContact O-CG2 3.34Å; F40-V44 PolarHBondContact O-N 3.15Å
41I95.3Very high91.2Very high91 Ų9192.9 Ų92.947%0.46747%0.468SS..Hα-helixtrans-58.1-46175.5-69.3166.7000110.3I37 E38 I43 V44 H45I37-I41 HydrophobicContact CG2-CD1 3.73Å; I37-I41 HydrophobicContact CG2-CG1 4.36Å; I37-I41 VanDerWaalsContact O-CG1 3.28Å; I37-I41 WeakPolarHBondContact O-CG1 3.44Å; I37-I41 PolarHBondContact O-N 2.66Å; E38-I41 PolarHBondContact O-N 3.26Å; I41-I43 VanDerWaalsContact C-N 3.33Å; I41-I43 PolarHBondContact O-N 3.06Å; I41-V44 PolarHBondContact O-N 3.38Å; I41-H45 WeakPolarHBondContact O-CB 3.34Å; I41-H45 PolarHBondContact O-N 2.67Å
42Q94.9Very high92Very high83 Ų8392.9 Ų92.939%0.38847%0.468SS..Hα-helixtrans-61.8-40.3178-71.1177.321.300112.5E38 L39 F40 R46E38-Q42 VanDerWaalsContact O-CG 3.29Å; E38-Q42 WeakPolarHBondContact O-CG 3.2Å; E38-Q42 PolarHBondContact O-N 2.89Å; E38-Q42 PolarHBondContact OE1-NE2 3.5Å; L39-Q42 PolarHBondContact O-N 3.41Å; F40-Q42 VanDerWaalsContact C-N 3.32Å; F40-Q42 PolarHBondContact O-N 3.48Å; Q42-R46 WeakPolarHBondContact O-CB 3.34Å; Q42-R46 VanDerWaalsContact O-CG 3.23Å; Q42-R46 WeakPolarHBondContact O-CG 3.44Å; Q42-R46 PolarHBondContact O-N 3.17Å
43I96.4Very high92.7Very high80 Ų8098.4 Ų98.441%0.4148%0.481SS..Hα-helixtrans-64.8-48.9177-68.7165.1000110.5L39 F40 I41 H45 R46 L47L39-I43 HydrophobicContact CD1-CD1 4.21Å; L39-I43 HydrophobicContact CD1-CG1 4.47Å; L39-I43 HydrophobicContact CG-CD1 3.94Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.44Å; L39-I43 PolarHBondContact O-N 3.47Å; F40-I43 PolarHBondContact O-N 3.29Å; I41-I43 VanDerWaalsContact C-N 3.33Å; I41-I43 PolarHBondContact O-N 3.06Å; I43-H45 PolarHBondContact O-N 3.34Å; I43-R46 PolarHBondContact O-N 2.95Å; I43-L47 HydrophobicContact CG2-CD1 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.48Å; I43-L47 PolarHBondContact O-N 3.37Å
44V95.5Very high92.7Very high71 Ų71101.9 Ų101.943%0.4349%0.489SS..Hα-helixtrans-61.1-44.7179.8172.30000110.9F40 I41 R46 L47 S48F40-V44 HydrophobicContact CD1-CG2 4.33Å; F40-V44 HydrophobicContact CD2-CG2 4.39Å; F40-V44 HydrophobicContact CE1-CG2 3.91Å; F40-V44 HydrophobicContact CE2-CG2 3.97Å; F40-V44 HydrophobicContact CZ-CG2 3.71Å; F40-V44 WeakPolarHBondContact O-CG2 3.34Å; F40-V44 PolarHBondContact O-N 3.15Å; I41-V44 PolarHBondContact O-N 3.38Å; V44-R46 PolarHBondContact O-N 3.44Å; V44-L47 PolarHBondContact O-N 3.33Å; V44-S48 PolarHBondContact O-N 2.92Å
45H93.7Very high92.9Very high128 Ų128102 Ų10259%0.59350%0.495SS*.Hα-helixtrans-59.9-45.7176.7-178.4-97000111.7I41 I43 L47 S48 V49I41-H45 WeakPolarHBondContact O-CB 3.34Å; I41-H45 PolarHBondContact O-N 2.67Å; I43-H45 PolarHBondContact O-N 3.34Å; H45-L47 VanDerWaalsContact C-N 3.32Å; H45-L47 PolarHBondContact O-N 3.06Å; H45-S48 PolarHBondContact O-N 3.2Å; H45-V49 WeakPolarHBondContact O-CG2 3.2Å; H45-V49 PolarHBondContact O-N 2.99Å
46R92.7Very high92.9Very high177 Ų177103.6 Ų103.667%0.66850%0.496SS*.Hα-helixtrans-62.9-38.1175.7-72.7173.4-172.4-85.61.3112.2Q42 I43 V44 R50Q42-R46 WeakPolarHBondContact O-CB 3.34Å; Q42-R46 VanDerWaalsContact O-CG 3.23Å; Q42-R46 WeakPolarHBondContact O-CG 3.44Å; Q42-R46 PolarHBondContact O-N 3.17Å; I43-R46 PolarHBondContact O-N 2.95Å; V44-R46 PolarHBondContact O-N 3.44Å; R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 PolarHBondContact O-N 3.37Å
47L94.7Very high92.6Very high112 Ų112105.5 Ų105.559%0.58650%0.5SS*.Hα-helixtrans-65.8-48.2175.8-108.666.1000111.7I43 V44 H45 V49 R50 S51I43-L47 HydrophobicContact CG2-CD1 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.48Å; I43-L47 PolarHBondContact O-N 3.37Å; V44-L47 PolarHBondContact O-N 3.33Å; H45-L47 VanDerWaalsContact C-N 3.32Å; H45-L47 PolarHBondContact O-N 3.06Å; L47-V49 PolarHBondContact O-N 2.95Å; L47-R50 CarbonylContact O-C 3.57Å; L47-R50 PolarHBondContact O-N 3.37Å; L47-R50 VanDerWaalsContact O-N 3.14Å; L47-S51 WeakPolarHBondContact O-CB 3.34Å; L47-S51 PolarHBondContact O-N 3.44Å; L47-S51 PolarHBondContact O-OG 3.18Å; L47-S51 VanDerWaalsContact O-OG 3.09Å
48S91.9Very high92.1Very high50 Ų50105.3 Ų105.335%0.3550%0.503SS..Hα-helixtrans-58.6-49.7179.3-161.40000111.3V44 H45 R50 S51 E52V44-S48 PolarHBondContact O-N 2.92Å; H45-S48 PolarHBondContact O-N 3.2Å; S48-R50 VanDerWaalsContact C-N 3.27Å; S48-R50 PolarHBondContact O-N 3.41Å; S48-S51 WeakPolarHBondContact CA-OG 3.33Å; S48-S51 PolarHBondContact O-N 2.8Å; S48-S51 PolarHBondContact O-OG 3.04Å; S48-E52 WeakPolarHBondContact O-CB 3.42Å; S48-E52 VanDerWaalsContact O-CG 3.31Å; S48-E52 WeakPolarHBondContact O-CG 3.38Å; S48-E52 PolarHBondContact O-N 3Å; S48-E52 PolarHBondContact OG-OE1 3.09Å
49V92.5Very high91.7Very high38 Ų38104.5 Ų104.523%0.2350%0.501CS..Hα-helixtrans-61.9-38178173.90000111H45 L47 R53H45-V49 WeakPolarHBondContact O-CG2 3.2Å; H45-V49 PolarHBondContact O-N 2.99Å; L47-V49 PolarHBondContact O-N 2.95Å; V49-R53 WeakPolarHBondContact O-CB 3.42Å; V49-R53 WeakPolarHBondContact O-CD 3.48Å; V49-R53 WeakPolarHBondContact O-CG 3.42Å; V49-R53 PolarHBondContact O-N 2.7Å; V49-R53 VanDerWaalsContact O-N 3.13Å
50R92.5Very high91.1Very high147 Ų147104.8 Ų104.856%0.55550%0.502SS*.Hα-helixtrans-71.3-40.6177.8-174.6177.8-179.688.9-8.3112.1R46 L47 S48 R54R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 PolarHBondContact O-N 3.37Å; L47-R50 CarbonylContact O-C 3.57Å; L47-R50 PolarHBondContact O-N 3.37Å; L47-R50 VanDerWaalsContact O-N 3.14Å; S48-R50 VanDerWaalsContact C-N 3.27Å; S48-R50 PolarHBondContact O-N 3.41Å; R50-R54 WeakPolarHBondContact O-CB 3.5Å; R50-R54 VanDerWaalsContact O-CG 3.3Å; R50-R54 WeakPolarHBondContact O-CG 3.25Å; R50-R54 PolarHBondContact O-N 3.23Å
51S92.3Very high90.1Very high65 Ų65100.7 Ų100.746%0.45549%0.494SS..Hα-helixtrans-67.8-44.3178.654.20000111.2L47 S48 R53 R54 L55L47-S51 WeakPolarHBondContact O-CB 3.34Å; L47-S51 PolarHBondContact O-N 3.44Å; L47-S51 PolarHBondContact O-OG 3.18Å; L47-S51 VanDerWaalsContact O-OG 3.09Å; S48-S51 WeakPolarHBondContact CA-OG 3.33Å; S48-S51 PolarHBondContact O-N 2.8Å; S48-S51 PolarHBondContact O-OG 3.04Å; S51-R53 PolarHBondContact O-N 3.38Å; S51-R54 PolarHBondContact O-N 2.88Å; S51-L55 VanDerWaalsContact O-CB 3.26Å; S51-L55 WeakPolarHBondContact O-CB 3.01Å; S51-L55 PolarHBondContact O-N 3.29Å
52E90.2Very high89.1Confident111 Ų111100.3 Ų100.352%0.51949%0.493SS..Hα-helixtrans-59.5-48.1175.5-73.9166.8-145.400110.9S48 R54 L55 V56S48-E52 WeakPolarHBondContact O-CB 3.42Å; S48-E52 VanDerWaalsContact O-CG 3.31Å; S48-E52 WeakPolarHBondContact O-CG 3.38Å; S48-E52 PolarHBondContact O-N 3Å; S48-E52 PolarHBondContact OG-OE1 3.09Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 3.14Å; E52-L55 PolarHBondContact O-N 2.76Å; E52-V56 WeakPolarHBondContact O-CB 3.5Å; E52-V56 VanDerWaalsContact O-CG2 3.27Å; E52-V56 WeakPolarHBondContact O-CG2 3.46Å; E52-V56 PolarHBondContact O-N 2.81Å
53R91.6Very high87.8Confident172 Ų172102 Ų10265%0.64950%0.499SS*.Hα-helixtrans-61.8-38176.8-73.8174.4-174.8-179.13.8112.7V49 S51 K57V49-R53 WeakPolarHBondContact O-CB 3.42Å; V49-R53 WeakPolarHBondContact O-CD 3.48Å; V49-R53 WeakPolarHBondContact O-CG 3.42Å; V49-R53 PolarHBondContact O-N 2.7Å; V49-R53 VanDerWaalsContact O-N 3.13Å; S51-R53 PolarHBondContact O-N 3.38Å; R53-K57 WeakPolarHBondContact O-CB 3.38Å; R53-K57 VanDerWaalsContact O-CG 3.26Å; R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 2.94Å
54R89.5Confident86.4Confident146 Ų146103.2 Ų103.255%0.55150%0.503SS*.Hα-helixtrans-68.5-46.4176.5-79.6178.8169.1-163.6-8.9111.1R50 S51 E52 K57 T58R50-R54 WeakPolarHBondContact O-CB 3.5Å; R50-R54 VanDerWaalsContact O-CG 3.3Å; R50-R54 WeakPolarHBondContact O-CG 3.25Å; R50-R54 PolarHBondContact O-N 3.23Å; S51-R54 PolarHBondContact O-N 2.88Å; E52-R54 VanDerWaalsContact C-N 3.32Å; E52-R54 PolarHBondContact O-N 3.14Å; R54-K57 PolarHBondContact O-N 3.06Å; R54-T58 PolarHBondContact O-N 3.23Å; R54-T58 PolarHBondContact O-OG1 3.23Å
55L89.7Confident84.9Confident100 Ų100109.1 Ų109.152%0.52452%0.518SS..Hα-helixtrans-60.8-47.9178.8-175.4160.5000110.9S51 E52 K57 T58 L59S51-L55 VanDerWaalsContact O-CB 3.26Å; S51-L55 WeakPolarHBondContact O-CB 3.01Å; S51-L55 PolarHBondContact O-N 3.29Å; E52-L55 PolarHBondContact O-N 2.76Å; L55-K57 VanDerWaalsContact C-N 3.29Å; L55-K57 PolarHBondContact O-N 3.09Å; L55-T58 PolarHBondContact O-N 3.42Å; L55-L59 HydrophobicContact CD2-CD1 3.32Å; L55-L59 HydrophobicContact CD2-CG 3.79Å; L55-L59 HydrophobicContact CG-CD1 4.4Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.28Å
56V88Confident83.3Confident80 Ų80107 Ų10749%0.48551%0.514SS..Hα-helixtrans-59.4-41.7177.4171.60000111E52 L60E52-V56 WeakPolarHBondContact O-CB 3.5Å; E52-V56 VanDerWaalsContact O-CG2 3.27Å; E52-V56 WeakPolarHBondContact O-CG2 3.46Å; E52-V56 PolarHBondContact O-N 2.81Å; V56-L60 HydrophobicContact CG1-CD1 3.86Å; V56-L60 HydrophobicContact CG1-CG 4.33Å; V56-L60 VanDerWaalsContact O-CB 3.24Å; V56-L60 WeakPolarHBondContact O-CB 3.37Å; V56-L60 WeakPolarHBondContact O-CG 3.15Å; V56-L60 PolarHBondContact O-N 3.42Å
57K87.5Confident81.9Confident155 Ų155103.4 Ų103.467%0.67450%0.504SS*.Hα-helixtrans-64.1-45.4175.9-75.8178.1-179.8-168.40112.6R53 R54 L55 L60 A61R53-K57 WeakPolarHBondContact O-CB 3.38Å; R53-K57 VanDerWaalsContact O-CG 3.26Å; R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 2.94Å; R54-K57 PolarHBondContact O-N 3.06Å; L55-K57 VanDerWaalsContact C-N 3.29Å; L55-K57 PolarHBondContact O-N 3.09Å; K57-L60 PolarHBondContact O-N 3.44Å; K57-A61 WeakPolarHBondContact O-CB 3.3Å; K57-A61 PolarHBondContact O-N 2.82Å
58T83.6Confident80.5Confident79 Ų7998.8 Ų98.849%0.48548%0.484SS..Hα-helixtrans-64.7-48.9178.6-61.30000111R54 L55 L60 A61 D62R54-T58 PolarHBondContact O-N 3.23Å; R54-T58 PolarHBondContact O-OG1 3.23Å; L55-T58 PolarHBondContact O-N 3.42Å; T58-L60 VanDerWaalsContact C-N 3.35Å; T58-L60 PolarHBondContact O-N 2.91Å; T58-A61 WeakPolarHBondContact O-CB 3.45Å; T58-A61 PolarHBondContact O-N 3.16Å; T58-A61 VanDerWaalsContact O-N 3.1Å; T58-D62 PolarHBondContact O-N 3.39Å
59L83.5Confident79.4Confident82 Ų82102.8 Ų102.843%0.42950%0.495SS..Hα-helixtrans-58.6-46.3175.7-74-172.5000111.3L55 A61 D62 F63L55-L59 HydrophobicContact CD2-CD1 3.32Å; L55-L59 HydrophobicContact CD2-CG 3.79Å; L55-L59 HydrophobicContact CG-CD1 4.4Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 WeakPolarHBondContact O-CG 3.49Å; L55-L59 PolarHBondContact O-N 3.28Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.49Å; L59-D62 PolarHBondContact O-N 3.36Å; L59-F63 HydrophobicContact CB-CD2 4.26Å; L59-F63 HydrophobicContact CB-CE2 4.23Å; L59-F63 WeakPolarHBondContact O-CB 3.47Å; L59-F63 WeakPolarHBondContact O-CD2 3.16Å; L59-F63 WeakPolarHBondContact O-CG 3.44Å; L59-F63 PolarHBondContact O-N 3.27Å
60L80.7Confident78.4Confident96 Ų96104.3 Ų104.350%0.50350%0.504SS..Hα-helixtrans-61.2-37.9176.6-77.1174.5000112.1V56 K57 T58 Q64V56-L60 HydrophobicContact CG1-CD1 3.86Å; V56-L60 HydrophobicContact CG1-CG 4.33Å; V56-L60 VanDerWaalsContact O-CB 3.24Å; V56-L60 WeakPolarHBondContact O-CB 3.37Å; V56-L60 WeakPolarHBondContact O-CG 3.15Å; V56-L60 PolarHBondContact O-N 3.42Å; K57-L60 PolarHBondContact O-N 3.44Å; T58-L60 VanDerWaalsContact C-N 3.35Å; T58-L60 PolarHBondContact O-N 2.91Å; L60-Q64 VanDerWaalsContact O-CB 3.3Å; L60-Q64 WeakPolarHBondContact O-CB 3.26Å; L60-Q64 WeakPolarHBondContact O-CG 3.24Å; L60-Q64 PolarHBondContact O-N 3.43Å; L60-Q64 PolarHBondContact O-NE2 3.49Å
61A76.5Confident77.4Confident51 Ų5198.4 Ų98.442%0.42149%0.487SS..Hα-helixtrans-68.2-40.9176.400000111.8K57 T58 L59 Q64 R65K57-A61 WeakPolarHBondContact O-CB 3.3Å; K57-A61 PolarHBondContact O-N 2.82Å; T58-A61 WeakPolarHBondContact O-CB 3.45Å; T58-A61 PolarHBondContact O-N 3.16Å; T58-A61 VanDerWaalsContact O-N 3.1Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.49Å; A61-Q64 PolarHBondContact O-N 2.96Å; A61-R65 WeakPolarHBondContact O-CB 3.27Å; A61-R65 PolarHBondContact O-N 3.3Å
62D72.4Confident76.7Confident83 Ų8397.5 Ų97.544%0.44448%0.477SS..Hα-helixtrans-67.2-42.8177-69.3-24.9000111.3T58 L59 R65 V66T58-D62 PolarHBondContact O-N 3.39Å; L59-D62 PolarHBondContact O-N 3.36Å; D62-R65 WeakPolarHBondContact O-CB 3.41Å; D62-R65 PolarHBondContact O-N 3.05Å; D62-V66 WeakPolarHBondContact O-CG2 3.45Å; D62-V66 PolarHBondContact O-N 3.31Å
63F67.7Low76.1Confident119 Ų11997.6 Ų97.652%0.52248%0.48SS..Hα-helixtrans-61-46.4172.1-79.3-62.4000110.9L59 R65 V66 H67L59-F63 HydrophobicContact CB-CD2 4.26Å; L59-F63 HydrophobicContact CB-CE2 4.23Å; L59-F63 WeakPolarHBondContact O-CB 3.47Å; L59-F63 WeakPolarHBondContact O-CD2 3.16Å; L59-F63 WeakPolarHBondContact O-CG 3.44Å; L59-F63 PolarHBondContact O-N 3.27Å; F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 3.11Å; F63-V66 PolarHBondContact O-N 3.28Å; F63-V66 VanDerWaalsContact O-N 3.11Å; F63-H67 VanDerWaalsContact C-CD2 3.42Å; F63-H67 WeakPolarHBondContact O-CB 3.21Å; F63-H67 PolarHBondContact O-CD2 3.25Å; F63-H67 VanDerWaalsContact O-CG 3.29Å; F63-H67 PolarHBondContact O-N 3.35Å
64Q67Low75.4Confident105 Ų10590.6 Ų90.649%0.49146%0.455SS..Hα-helixtrans-57-42.9174.9-79.1169.384.200112L60 A61 V66 H67 G68L60-Q64 VanDerWaalsContact O-CB 3.3Å; L60-Q64 WeakPolarHBondContact O-CB 3.26Å; L60-Q64 WeakPolarHBondContact O-CG 3.24Å; L60-Q64 PolarHBondContact O-N 3.43Å; L60-Q64 PolarHBondContact O-NE2 3.49Å; A61-Q64 PolarHBondContact O-N 2.96Å; Q64-V66 VanDerWaalsContact C-N 3.32Å; Q64-V66 PolarHBondContact O-N 3.28Å; Q64-H67 PolarHBondContact O-N 2.8Å; Q64-G68 PolarHBondContact O-N 3.37Å
65R64.8Low74.9Confident195 Ų19587.9 Ų87.974%0.73644%0.444SS*.Hα-helixtrans-62.5-37.4176.5-175.6178.3178.7163.51112.3A61 D62 F63A61-R65 WeakPolarHBondContact O-CB 3.27Å; A61-R65 PolarHBondContact O-N 3.3Å; D62-R65 WeakPolarHBondContact O-CB 3.41Å; D62-R65 PolarHBondContact O-N 3.05Å; F63-R65 VanDerWaalsContact C-N 3.29Å; F63-R65 PolarHBondContact O-N 3.11Å
66V60.7Low74.6Confident85 Ų8585.5 Ų85.552%0.51543%0.431SS..Hα-helixtrans-76.7-38.8177.7175.80000111.6D62 F63 Q64 G68 K69D62-V66 WeakPolarHBondContact O-CG2 3.45Å; D62-V66 PolarHBondContact O-N 3.31Å; F63-V66 PolarHBondContact O-N 3.28Å; F63-V66 VanDerWaalsContact O-N 3.11Å; Q64-V66 VanDerWaalsContact C-N 3.32Å; Q64-V66 PolarHBondContact O-N 3.28Å; V66-G68 VanDerWaalsContact C-N 3.26Å; V66-G68 PolarHBondContact O-N 2.86Å; V66-K69 WeakPolarHBondContact O-CB 3.39Å; V66-K69 PolarHBondContact O-N 2.81Å
67H62Low74.3Confident101 Ų10183.4 Ų83.447%0.46842%0.423SS..Hα-helixtrans-60.8-32.8179.6-74.2-57.3000113.1F63 Q64 K69 T70F63-H67 VanDerWaalsContact C-CD2 3.42Å; F63-H67 WeakPolarHBondContact O-CB 3.21Å; F63-H67 PolarHBondContact O-CD2 3.25Å; F63-H67 VanDerWaalsContact O-CG 3.29Å; F63-H67 PolarHBondContact O-N 3.35Å; Q64-H67 PolarHBondContact O-N 2.8Å; H67-K69 PolarHBondContact O-N 3.25Å; H67-T70 PolarHBondContact O-N 3.35Å
68G66Low74.1Confident15 Ų1579.6 Ų79.616%0.15541%0.407CS..Hα-helixtrans-62.7-27.6175.200000114Q64 V66 A71 L72Q64-G68 PolarHBondContact O-N 3.37Å; V66-G68 VanDerWaalsContact C-N 3.26Å; V66-G68 PolarHBondContact O-N 2.86Å; G68-A71 PolarHBondContact O-N 2.84Å; G68-L72 WeakPolarHBondContact O-CB 3.26Å; G68-L72 PolarHBondContact O-N 3.1Å
69K69.8Low74.1Confident133 Ų13376.7 Ų76.758%0.57839%0.391SS*.Hα-helixtrans-70-39.6179.6-65.9-175.5176.1-177.80112.1V66 H67 A71 L72 L73V66-K69 WeakPolarHBondContact O-CB 3.39Å; V66-K69 PolarHBondContact O-N 2.81Å; H67-K69 PolarHBondContact O-N 3.25Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-L72 PolarHBondContact O-N 2.9Å; K69-L73 WeakPolarHBondContact O-CG 3.5Å; K69-L73 PolarHBondContact O-N 2.9Å
70T70.3Confident74.1Confident70 Ų7075 Ų7543%0.42939%0.39SS..Hα-helixtrans-64.9-41177.5-49.10000111H67 L73 F74H67-T70 PolarHBondContact O-N 3.35Å; T70-L73 PolarHBondContact O-N 3.36Å; T70-F74 WeakPolarHBondContact O-CB 3.3Å; T70-F74 PolarHBondContact O-N 3.29Å
71A72.3Confident74.3Confident23 Ų2371.9 Ų71.919%0.1937%0.373CS..Hα-helixtrans-64.3-40.5174.900000112.1G68 K69 F74 R75G68-A71 PolarHBondContact O-N 2.84Å; K69-A71 VanDerWaalsContact C-N 3.33Å; A71-F74 WeakPolarHBondContact O-CB 3.39Å; A71-F74 PolarHBondContact O-N 3.28Å; A71-R75 WeakPolarHBondContact O-CG 3.49Å; A71-R75 PolarHBondContact O-N 3.47Å
72L76.7Confident74.6Confident46 Ų4673.5 Ų73.524%0.24138%0.375CS..Hα-helixtrans-63.5-46.4174.9-176.166.8000111.8G68 K69 F74 R75 I76 L95 I97G68-L72 WeakPolarHBondContact O-CB 3.26Å; G68-L72 PolarHBondContact O-N 3.1Å; K69-L72 PolarHBondContact O-N 2.9Å; L72-F74 VanDerWaalsContact C-N 3.26Å; L72-F74 PolarHBondContact O-N 2.87Å; L72-R75 PolarHBondContact O-N 2.88Å; L72-I76 HydrophobicContact CG-CD1 4.02Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.41Å; L72-L95 HydrophobicContact CD1-CB 4.41Å; L72-I97 HydrophobicContact CD1-CG1 4.41Å; L72-I97 HydrophobicContact CD2-CG1 4.31Å
73L78.5Confident75Confident114 Ų11474.4 Ų74.460%0.59738%0.38SS*.Hα-helixtrans-60.4-37.8176.3-72.2175.2000111.9K69 T70 I76 A77K69-L73 WeakPolarHBondContact O-CG 3.5Å; K69-L73 PolarHBondContact O-N 2.9Å; T70-L73 PolarHBondContact O-N 3.36Å; L73-I76 HydrophobicContact CD2-CD1 4.46Å; L73-I76 PolarHBondContact O-N 2.87Å; L73-A77 WeakPolarHBondContact O-CB 3.41Å; L73-A77 PolarHBondContact O-N 3.11Å
74F76.8Confident75.5Confident25 Ų2572.6 Ų72.611%0.1138%0.38CS..Hα-helixtrans-62.1-46.5174.6-171.6-96.9000111.8T70 A71 L72 I76 A77 E78 Q113 L114 V117T70-F74 WeakPolarHBondContact O-CB 3.3Å; T70-F74 PolarHBondContact O-N 3.29Å; A71-F74 WeakPolarHBondContact O-CB 3.39Å; A71-F74 PolarHBondContact O-N 3.28Å; L72-F74 VanDerWaalsContact C-N 3.26Å; L72-F74 PolarHBondContact O-N 2.87Å; F74-I76 VanDerWaalsContact C-N 3.32Å; F74-I76 PolarHBondContact O-N 2.72Å; F74-A77 PolarHBondContact O-N 2.56Å; F74-E78 WeakPolarHBondContact O-CB 3.47Å; F74-E78 PolarHBondContact O-N 3.1Å; F74-Q113 HydrophobicContact CD2-CB 4.33Å; F74-Q113 HydrophobicContact CE1-CB 4.07Å; F74-Q113 HydrophobicContact CE1-CG 4.26Å; F74-Q113 HydrophobicContact CE2-CB 3.59Å; F74-Q113 WeakPolarHBondContact CE2-O 3.31Å; F74-Q113 HydrophobicContact CZ-CB 3.43Å; F74-Q113 VanDerWaalsContact CZ-CB 3.43Å; F74-Q113 HydrophobicContact CZ-CG 4.03Å; F74-Q113 WeakPolarHBondContact CZ-O 3.22Å; F74-L114 HydrophobicContact CD2-CD2 4.19Å; F74-V117 HydrophobicContact CD2-CG2 4.16Å; F74-V117 HydrophobicContact CE1-CG2 4.11Å; F74-V117 HydrophobicContact CE2-CB 3.71Å; F74-V117 HydrophobicContact CE2-CG1 4.4Å; F74-V117 HydrophobicContact CE2-CG2 3.24Å; F74-V117 HydrophobicContact CZ-CB 4.15Å; F74-V117 HydrophobicContact CZ-CG2 3.21Å
75R78.5Confident76Confident89 Ų8975.3 Ų75.334%0.33640%0.397SS..Hα-helixtrans-63.1-38175.9-69.4174.5-177.5-170.6-0.6112.6A71 L72 E78 A79 L95 H96 V98A71-R75 WeakPolarHBondContact O-CG 3.49Å; A71-R75 PolarHBondContact O-N 3.47Å; L72-R75 PolarHBondContact O-N 2.88Å; R75-E78 PolarHBondContact O-N 2.95Å; R75-A79 WeakPolarHBondContact O-CB 3.18Å; R75-A79 PolarHBondContact O-N 3.16Å; R75-L95 HydrophobicContact CB-CD1 4.49Å; R75-H96 PolarHBondContact NH1-O 3.48Å; R75-V98 VanDerWaalsContact NH1-CB 3.29Å
76I83.2Confident76.6Confident49 Ų4967.4 Ų67.425%0.25138%0.377SS..Hα-helixtrans-62.7-46.8174.5-68.5165.2000110L72 L73 F74 A79 A80 V92 L95L72-I76 HydrophobicContact CG-CD1 4.02Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 3.41Å; L73-I76 HydrophobicContact CD2-CD1 4.46Å; L73-I76 PolarHBondContact O-N 2.87Å; F74-I76 VanDerWaalsContact C-N 3.32Å; F74-I76 PolarHBondContact O-N 2.72Å; I76-A79 PolarHBondContact O-N 3.36Å; I76-A80 WeakPolarHBondContact O-CB 3.36Å; I76-A80 PolarHBondContact O-N 3.22Å; I76-V92 HydrophobicContact CD1-CG1 4.47Å; I76-V92 HydrophobicContact CG1-CG1 4.28Å; I76-V92 HydrophobicContact CG2-CG2 4.32Å; I76-L95 HydrophobicContact CB-CD1 4.19Å; I76-L95 HydrophobicContact CG1-CD1 3.45Å; I76-L95 VanDerWaalsContact CG1-CD1 3.45Å
77A82.6Confident77.4Confident37 Ų3768.7 Ų68.731%0.30638%0.38SS..Hα-helixtrans-61.9-45.6177.600000111.5L73 F74 A79 A80 L81 V117L73-A77 WeakPolarHBondContact O-CB 3.41Å; L73-A77 PolarHBondContact O-N 3.11Å; F74-A77 PolarHBondContact O-N 2.56Å; A77-A79 PolarHBondContact O-N 2.8Å; A77-A80 PolarHBondContact O-N 3.24Å; A77-L81 VanDerWaalsContact O-CG 3.27Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 2.93Å; A77-V117 HydrophobicContact CB-CG1 3.83Å
78E82.6Confident78.1Confident74 Ų7468.7 Ų68.735%0.34639%0.387SS..Hα-helixtrans-61.8-44.2177.4-172.8174.9-158.800112.2F74 R75 A80 L81 N82F74-E78 WeakPolarHBondContact O-CB 3.47Å; F74-E78 PolarHBondContact O-N 3.1Å; R75-E78 PolarHBondContact O-N 2.95Å; E78-A80 PolarHBondContact O-N 2.91Å; E78-L81 PolarHBondContact O-N 2.92Å; E78-N82 PolarHBondContact O-N 2.87Å; E78-N82 PolarHBondContact O-ND2 2.8Å
79A84Confident78.6Confident18 Ų1875.1 Ų75.115%0.14941%0.411CS..Hα-helixtrans-64.1-40.1177.200000111.8R75 I76 A77 L81 N82 N83 V91 L95R75-A79 WeakPolarHBondContact O-CB 3.18Å; R75-A79 PolarHBondContact O-N 3.16Å; I76-A79 PolarHBondContact O-N 3.36Å; A77-A79 PolarHBondContact O-N 2.8Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.89Å; A79-N82 PolarHBondContact O-N 3.09Å; A79-N83 PolarHBondContact O-N 3.22Å; A79-V91 VanDerWaalsContact C-CG1 3.43Å; A79-V91 HydrophobicContact CB-CG1 3.41Å; A79-V91 VanDerWaalsContact CB-CG1 3.41Å; A79-V91 WeakPolarHBondContact O-CG1 3.33Å; A79-L95 HydrophobicContact CB-CD1 4.4Å; A79-L95 HydrophobicContact CB-CD2 4.4Å
80A84.4Confident78.8Confident48 Ų4874.7 Ų74.740%0.39741%0.411SS..Hα-helixtrans-66.5-31.8174.900000112.9I76 A77 E78 N83 P84I76-A80 WeakPolarHBondContact O-CB 3.36Å; I76-A80 PolarHBondContact O-N 3.22Å; A77-A80 PolarHBondContact O-N 3.24Å; E78-A80 PolarHBondContact O-N 2.91Å; A80-N83 CarbonylContact O-C 3.59Å; A80-P84 WeakPolarHBondContact O-CA 3.21Å
81L83.7Confident78.7Confident30 Ų3072.3 Ų72.316%0.15740%0.396CS..Hα-helixtrans-76.4-28.6176.1-70.4177.7000113.7A77 E78 A79 V117 R120 V124A77-L81 VanDerWaalsContact O-CG 3.27Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 2.93Å; E78-L81 PolarHBondContact O-N 2.92Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.89Å; L81-V117 HydrophobicContact CD1-CB 4.27Å; L81-V117 HydrophobicContact CD1-CG1 3.74Å; L81-V117 HydrophobicContact CD1-CG2 4.43Å; L81-V117 VanDerWaalsContact CD1-O 3.24Å; L81-V117 WeakPolarHBondContact CD1-O 3.21Å; L81-R120 HydrophobicContact CD1-CB 3.88Å; L81-V124 HydrophobicContact CD2-CG2 4.36Å
82N82.3Confident78.9Confident85 Ų8573.3 Ų73.346%0.45540%0.4SS..Hα-helixtrans-74.4-40.3177.4-73.2-32.3000112.1E78 A79 R120E78-N82 PolarHBondContact O-N 2.87Å; E78-N82 PolarHBondContact O-ND2 2.8Å; A79-N82 PolarHBondContact O-N 3.09Å; N82-R120 PolarHBondContact OD1-NH2 2.81Å
83N80.7Confident78.6Confident102 Ų10279.7 Ų79.755%0.54542%0.422SS..  trans-129.177.8-178.5-73.6-38.2000110.2A79 A80 D85 G86 V91A79-N83 PolarHBondContact O-N 3.22Å; A80-N83 CarbonylContact O-C 3.59Å; N83-D85 VanDerWaalsContact C-N 3.27Å; N83-D85 PolarHBondContact O-N 3.24Å; N83-G86 PolarHBondContact O-N 3.48Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-V91 HydrophobicContact CB-CG2 4.11Å
84P78.2Confident78.2Confident80 Ų8080.3 Ų80.352%0.51942%0.422SS..THydrogen-bonded Turntrans-64.5-31.1-175.125.8-34.4000113A80 V124A80-P84 WeakPolarHBondContact O-CA 3.21Å; P84-V124 HydrophobicContact CB-CG1 4.4Å
85D78.7Confident78.1Confident162 Ų16281.3 Ų81.387%0.86643%0.428SS*.THydrogen-bonded Turntrans-92.1-0.7178.7-57-50.4000113N83N83-D85 VanDerWaalsContact C-N 3.27Å; N83-D85 PolarHBondContact O-N 3.24Å
86G77.1Confident77.7Confident30 Ų3084.3 Ų84.331%0.30945%0.446SS..SBendtrans-68.4141.6-179.800000111.8N83 V88N83-G86 PolarHBondContact O-N 3.48Å; N83-G86 VanDerWaalsContact O-N 3.12Å; G86-V88 PolarHBondContact O-N 2.86Å
87L77.4Confident76.9Confident112 Ų11288.4 Ų88.459%0.58647%0.466SS*.  trans-61.2135.3172.9-67.5175.1000109.1K89 E90 V91L87-K89 PolarHBondContact O-N 3.3Å; L87-E90 HydrophobicContact CB-CG 4.23Å; L87-E90 PolarHBondContact O-N 3.37Å; L87-V91 PolarHBondContact O-N 2.77Å; L87-V91 VanDerWaalsContact O-N 3.09Å
88V77.3Confident76Confident101 Ų10190.6 Ų90.661%0.61248%0.476SS*.Hα-helixtrans-49.3-33.8174.7177.80000110.7G86 E90 V91 V92G86-V88 PolarHBondContact O-N 2.86Å; V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 2.98Å; V88-V91 PolarHBondContact O-N 2.94Å; V88-V92 HydrophobicContact CG1-CB 4.04Å; V88-V92 HydrophobicContact CG1-CG2 3.88Å; V88-V92 VanDerWaalsContact O-CB 3.28Å; V88-V92 WeakPolarHBondContact O-CB 3.34Å; V88-V92 PolarHBondContact O-N 2.84Å
89K76.9Confident74.9Confident150 Ų15095.1 Ų95.165%0.65250%0.497SS*.Hα-helixtrans-61.8-39178.5-167.5-174.1179.6-178.10113.3L87 Y93L87-K89 PolarHBondContact O-N 3.3Å; K89-Y93 HydrophobicContact CB-CD2 3.9Å; K89-Y93 HydrophobicContact CB-CE2 3.98Å; K89-Y93 HydrophobicContact CG-CD2 3.52Å; K89-Y93 HydrophobicContact CG-CE2 3.78Å; K89-Y93 WeakPolarHBondContact O-CD2 3.38Å
90E72.1Confident73.8Confident123 Ų12396.7 Ų96.758%0.57551%0.506SS*.Hα-helixtrans-85.2-28.8-176-65.5174.3179.600112L87 V88 H94L87-E90 HydrophobicContact CB-CG 4.23Å; L87-E90 PolarHBondContact O-N 3.37Å; V88-E90 VanDerWaalsContact C-N 3.32Å; V88-E90 PolarHBondContact O-N 2.98Å; E90-H94 PolarHBondContact O-CE1 3.13Å; E90-H94 PolarHBondContact O-ND1 3.21Å
91V69.3Low72.6Confident21 Ų21100.3 Ų100.313%0.12752%0.518CS..Hα-helixtrans-93.4-41.7-176.1-1790000111.8A79 N83 L87 V88A79-V91 VanDerWaalsContact C-CG1 3.43Å; A79-V91 HydrophobicContact CB-CG1 3.41Å; A79-V91 VanDerWaalsContact CB-CG1 3.41Å; A79-V91 WeakPolarHBondContact O-CG1 3.33Å; N83-V91 HydrophobicContact CB-CG2 4.11Å; L87-V91 PolarHBondContact O-N 2.77Å; L87-V91 VanDerWaalsContact O-N 3.09Å; V88-V91 PolarHBondContact O-N 2.94Å
92V75.2Confident71.4Confident43 Ų43110.2 Ų110.226%0.26155%0.554SS.*THydrogen-bonded Turntrans-95.9-38.9-168.7-179.10000113I76 V88 H94 L95I76-V92 HydrophobicContact CD1-CG1 4.47Å; I76-V92 HydrophobicContact CG1-CG1 4.28Å; I76-V92 HydrophobicContact CG2-CG2 4.32Å; V88-V92 HydrophobicContact CG1-CB 4.04Å; V88-V92 HydrophobicContact CG1-CG2 3.88Å; V88-V92 VanDerWaalsContact O-CB 3.28Å; V88-V92 WeakPolarHBondContact O-CB 3.34Å; V88-V92 PolarHBondContact O-N 2.84Å; V92-H94 PolarHBondContact O-N 3.39Å; V92-L95 WeakPolarHBondContact O-CB 3.27Å; V92-L95 WeakPolarHBondContact O-CG 3.23Å; V92-L95 PolarHBondContact O-N 3.45Å; V92-L95 VanDerWaalsContact O-N 3.15Å
93Y71.9Confident70.1Confident181 Ų181108.4 Ų108.471%0.7155%0.548SS*.THydrogen-bonded Turntrans-71.5-18.1-176.6-67.5-58.1000114.1K89 L95K89-Y93 HydrophobicContact CB-CD2 3.9Å; K89-Y93 HydrophobicContact CB-CE2 3.98Å; K89-Y93 HydrophobicContact CG-CD2 3.52Å; K89-Y93 HydrophobicContact CG-CE2 3.78Å; K89-Y93 WeakPolarHBondContact O-CD2 3.38Å; Y93-L95 PolarHBondContact O-N 3.31Å
94H70Confident68.8Low126 Ų126107.3 Ų107.358%0.58356%0.56SS**THydrogen-bonded Turntrans-81.6-1174.7-58.299.8000113E90 V92 H96E90-H94 PolarHBondContact O-CE1 3.13Å; E90-H94 PolarHBondContact O-ND1 3.21Å; V92-H94 PolarHBondContact O-N 3.39Å; H94-H96 PolarHBondContact O-CD2 3.18Å; H94-H96 PolarHBondContact O-N 3.05Å; H94-H96 VanDerWaalsContact O-N 3.14Å
95L74.5Confident67.7Low47 Ų47111.4 Ų111.425%0.24657%0.57CS.*  trans-79.8101.3179-60.6178000110.3L72 R75 I76 A79 V92 Y93 I97L72-L95 HydrophobicContact CD1-CB 4.41Å; R75-L95 HydrophobicContact CB-CD1 4.49Å; I76-L95 HydrophobicContact CB-CD1 4.19Å; I76-L95 HydrophobicContact CG1-CD1 3.45Å; I76-L95 VanDerWaalsContact CG1-CD1 3.45Å; A79-L95 HydrophobicContact CB-CD1 4.4Å; A79-L95 HydrophobicContact CB-CD2 4.4Å; V92-L95 WeakPolarHBondContact O-CB 3.27Å; V92-L95 WeakPolarHBondContact O-CG 3.23Å; V92-L95 PolarHBondContact O-N 3.45Å; V92-L95 VanDerWaalsContact O-N 3.15Å; Y93-L95 PolarHBondContact O-N 3.31Å; L95-I97 PolarHBondContact O-N 3.14Å
96H69.3Low66.5Low152 Ų152113.7 Ų113.770%0.70457%0.566SS**  trans-68.7130.2171-67.1-87.3000110.4R75 H94 V98R75-H96 PolarHBondContact NH1-O 3.48Å; H94-H96 PolarHBondContact O-CD2 3.18Å; H94-H96 PolarHBondContact O-N 3.05Å; H94-H96 VanDerWaalsContact O-N 3.14Å; H96-V98 PolarHBondContact O-N 3.06Å
97I66.7Low65.4Low134 Ų134116.7 Ų116.769%0.68758%0.583SS**  trans-66.997.9168.5-55.8173.1000106.5L72 L95L72-I97 HydrophobicContact CD1-CG1 4.41Å; L72-I97 HydrophobicContact CD2-CG1 4.31Å; L95-I97 PolarHBondContact O-N 3.14Å
98V63.5Low64.6Low84 Ų84115.3 Ų115.351%0.50958%0.582SS.*PPolyproline II helixtrans-82.9127.4171.9176.80000106.8R75 H96R75-V98 VanDerWaalsContact NH1-CB 3.29Å; H96-V98 PolarHBondContact O-N 3.06Å
99E59.5Low64.2Low169 Ų169113.1 Ų113.179%0.7957%0.572SS**PPolyproline II helixtrans-52.8138.1173.3-68.3-170.1154.300109.8D101E99-D101 PolarHBondContact O-N 3.14Å
100P60.1Low63.7Low50 Ų50109.9 Ų109.933%0.32556%0.556SS.*PPolyproline II helixtrans-59.9132.6-177.125.6-33.2000109.8R102P100-R102 PolarHBondContact O-N 2.86Å
101D59.9Low63.4Low124 Ų124108.5 Ų108.566%0.66355%0.552SS**PPolyproline II helixtrans-51.9127.4174.1177.913.4000109.6E99 S103E99-D101 PolarHBondContact O-N 3.14Å; D101-S103 PolarHBondContact O-N 3.35Å; D101-S103 VanDerWaalsContact O-N 3.1Å; D101-S103 WeakPolarHBondContact OD1-CB 3.44Å; D101-S103 PolarHBondContact OD1-N 3.42Å; D101-S103 WeakPolarHBondContact OD2-CB 3.29Å; D101-S103 PolarHBondContact OD2-OG 2.91Å
102R57.8Low63.8Low239 Ų239109.9 Ų109.990%0.90257%0.566SS**SBendtrans-65.1-8.5175.9-67.2-171.3-166.5160.46.2112.2P100 G104P100-R102 PolarHBondContact O-N 2.86Å; R102-G104 PolarHBondContact O-N 3.36Å; R102-G104 VanDerWaalsContact O-N 3.11Å
103S55.4Low63.8Low47 Ų47111.2 Ų111.233%0.32957%0.569SS.*  trans-67.6110.4175.394.60000109.5D101 K105D101-S103 PolarHBondContact O-N 3.35Å; D101-S103 VanDerWaalsContact O-N 3.1Å; D101-S103 WeakPolarHBondContact OD1-CB 3.44Å; D101-S103 PolarHBondContact OD1-N 3.42Å; D101-S103 WeakPolarHBondContact OD2-CB 3.29Å; D101-S103 PolarHBondContact OD2-OG 2.91Å; S103-K105 PolarHBondContact O-N 2.88Å
104G54.4Low64.1Low79 Ų79106.7 Ų106.781%0.81456%0.557SS**  trans-66.638175.300000113.8R102 R106R102-G104 PolarHBondContact O-N 3.36Å; R102-G104 VanDerWaalsContact O-N 3.11Å; G104-R106 PolarHBondContact O-N 3.43Å
105K54.9Low64.8Low165 Ų165109 Ų10972%0.71756%0.56SS**  trans-77.279.1179.3-66.8-167.4-177.3-175.70109.8S103S103-K105 PolarHBondContact O-N 2.88Å
106R53.9Low65.2Low210 Ų210111 Ų11179%0.79257%0.571SS**  trans34.7124.9150.6-63.6-174.7-178.8-175.50.9117.5G104 S108 S109G104-R106 PolarHBondContact O-N 3.43Å; R106-S108 PolarHBondContact O-N 3.46Å; R106-S109 PolarHBondContact O-N 2.93Å
107S54.3Low66Low93 Ų93104.4 Ų104.465%0.6554%0.542SS*.THydrogen-bonded Turntrans-36.7-27.8165.8-172.70000115.8S109 Y110 L111S107-S109 VanDerWaalsContact C-N 3.26Å; S107-S109 PolarHBondContact O-N 3.2Å; S107-Y110 PolarHBondContact O-N 2.97Å; S107-L111 PolarHBondContact O-N 3.44Å
108S59.6Low66.8Low83 Ų83101.3 Ų101.358%0.5853%0.532SS*.Hα-helixtrans-58.1-31.5172.9-168.80000114.4R106 L111 A112R106-S108 PolarHBondContact O-N 3.46Å; S108-L111 PolarHBondContact O-N 2.91Å; S108-A112 PolarHBondContact O-N 3.04Å; S108-A112 VanDerWaalsContact O-N 3.16Å
109S69.7Low67.9Low55 Ų55100.1 Ų100.139%0.38553%0.531SS..Hα-helixtrans-66.2-44.2178.6-172.60000111.1R106 S107 L111 A112 Q113R106-S109 PolarHBondContact O-N 2.93Å; S107-S109 VanDerWaalsContact C-N 3.26Å; S107-S109 PolarHBondContact O-N 3.2Å; S109-L111 PolarHBondContact O-N 3.31Å; S109-A112 PolarHBondContact O-N 3.21Å; S109-Q113 WeakPolarHBondContact O-CB 3.37Å; S109-Q113 WeakPolarHBondContact O-CG 3.47Å; S109-Q113 PolarHBondContact O-N 3.2Å; S109-Q113 PolarHBondContact OG-NE2 3.47Å
110Y65.4Low69Low82 Ų8293.8 Ų93.832%0.32250%0.5SS..Hα-helixtrans-63-38.7177.1-71.8-76.1000112.5S107 Q113 L114S107-Y110 PolarHBondContact O-N 2.97Å; Y110-Q113 PolarHBondContact O-N 3.42Å; Y110-L114 WeakPolarHBondContact O-CB 3.31Å; Y110-L114 VanDerWaalsContact O-CG 3.25Å; Y110-L114 WeakPolarHBondContact O-CG 3.44Å; Y110-L114 PolarHBondContact O-N 3.19Å
111L66.4Low70Confident94 Ų9492.4 Ų92.449%0.49250%0.495SS..Hα-helixtrans-70.2-32.4177.5-63.4-168.1000112.8S107 S108 S109 L114 R115S107-L111 PolarHBondContact O-N 3.44Å; S108-L111 PolarHBondContact O-N 2.91Å; S109-L111 PolarHBondContact O-N 3.31Å; L111-L114 HydrophobicContact CD2-CD1 4.23Å; L111-R115 WeakPolarHBondContact O-CG 3.28Å; L111-R115 PolarHBondContact O-N 3.25Å; L111-R115 VanDerWaalsContact O-N 3.09Å
112A76.7Confident71.2Confident51 Ų5190.5 Ų90.542%0.42149%0.485SS..Hα-helixtrans-68.3-46.2172.700000110.9S108 S109 R115 D116S108-A112 PolarHBondContact O-N 3.04Å; S108-A112 VanDerWaalsContact O-N 3.16Å; S109-A112 PolarHBondContact O-N 3.21Å; A112-R115 PolarHBondContact O-N 3.49Å; A112-D116 PolarHBondContact O-N 3.19Å; A112-D116 VanDerWaalsContact O-N 3.09Å
113Q76.5Confident72.2Confident71 Ų7180 Ų8033%0.33245%0.449SS..Hα-helixtrans-55.9-49.3173.2-79.5176.219.200111.9F74 S109 Y110 R115 D116 V117F74-Q113 HydrophobicContact CD2-CB 4.33Å; F74-Q113 HydrophobicContact CE1-CB 4.07Å; F74-Q113 HydrophobicContact CE1-CG 4.26Å; F74-Q113 HydrophobicContact CE2-CB 3.59Å; F74-Q113 WeakPolarHBondContact CE2-O 3.31Å; F74-Q113 HydrophobicContact CZ-CB 3.43Å; F74-Q113 VanDerWaalsContact CZ-CB 3.43Å; F74-Q113 HydrophobicContact CZ-CG 4.03Å; F74-Q113 WeakPolarHBondContact CZ-O 3.22Å; S109-Q113 WeakPolarHBondContact O-CB 3.37Å; S109-Q113 WeakPolarHBondContact O-CG 3.47Å; S109-Q113 PolarHBondContact O-N 3.2Å; S109-Q113 PolarHBondContact OG-NE2 3.47Å; Y110-Q113 PolarHBondContact O-N 3.42Å; Q113-R115 VanDerWaalsContact C-N 3.35Å; Q113-R115 PolarHBondContact O-N 2.86Å; Q113-D116 PolarHBondContact O-N 3.44Å; Q113-V117 PolarHBondContact O-N 3.02Å
114L76.9Confident73.3Confident86 Ų8680.4 Ų80.445%0.4545%0.449SS..Hα-helixtrans-63-37.8178.5-76.3170.5000112.8F74 Y110 L111 D116 S118F74-L114 HydrophobicContact CD2-CD2 4.19Å; Y110-L114 WeakPolarHBondContact O-CB 3.31Å; Y110-L114 VanDerWaalsContact O-CG 3.25Å; Y110-L114 WeakPolarHBondContact O-CG 3.44Å; Y110-L114 PolarHBondContact O-N 3.19Å; L111-L114 HydrophobicContact CD2-CD1 4.23Å; L114-D116 VanDerWaalsContact C-N 3.35Å; L114-S118 VanDerWaalsContact O-CB 3.26Å; L114-S118 WeakPolarHBondContact O-CB 3.05Å; L114-S118 PolarHBondContact O-N 2.94Å
115R84.6Confident74.4Confident174 Ų17485 Ų8566%0.65745%0.446SS*.Hα-helixtrans-62.5-42.6174.2-86.6-174.1-110.2141.1-6.2111.8L111 A112 Q113 A119L111-R115 WeakPolarHBondContact O-CG 3.28Å; L111-R115 PolarHBondContact O-N 3.25Å; L111-R115 VanDerWaalsContact O-N 3.09Å; A112-R115 PolarHBondContact O-N 3.49Å; Q113-R115 VanDerWaalsContact C-N 3.35Å; Q113-R115 PolarHBondContact O-N 2.86Å; R115-A119 WeakPolarHBondContact O-CB 3.29Å; R115-A119 PolarHBondContact O-N 3.44Å
116D84.6Confident75.4Confident88 Ų8881.6 Ų81.647%0.47144%0.437SS..Hα-helixtrans-65.6-49.6178.5-17556.4000111.9A112 Q113 L114 S118 A119 R120A112-D116 PolarHBondContact O-N 3.19Å; A112-D116 VanDerWaalsContact O-N 3.09Å; Q113-D116 PolarHBondContact O-N 3.44Å; L114-D116 VanDerWaalsContact C-N 3.35Å; D116-S118 VanDerWaalsContact C-N 3.32Å; D116-S118 PolarHBondContact O-N 3.28Å; D116-A119 PolarHBondContact O-N 3.08Å; D116-R120 WeakPolarHBondContact O-CB 3.38Å; D116-R120 WeakPolarHBondContact O-CG 3.49Å; D116-R120 PolarHBondContact O-N 3Å
117V84.6Confident75.9Confident15 Ų1574.9 Ų74.99%0.09143%0.432CS..Hα-helixtrans-61.5-39.2176.6161.90000112F74 A77 L81 Q113 G121F74-V117 HydrophobicContact CD2-CG2 4.16Å; F74-V117 HydrophobicContact CE1-CG2 4.11Å; F74-V117 HydrophobicContact CE2-CB 3.71Å; F74-V117 HydrophobicContact CE2-CG1 4.4Å; F74-V117 HydrophobicContact CE2-CG2 3.24Å; F74-V117 HydrophobicContact CZ-CB 4.15Å; F74-V117 HydrophobicContact CZ-CG2 3.21Å; A77-V117 HydrophobicContact CB-CG1 3.83Å; L81-V117 HydrophobicContact CD1-CB 4.27Å; L81-V117 HydrophobicContact CD1-CG1 3.74Å; L81-V117 HydrophobicContact CD1-CG2 4.43Å; L81-V117 VanDerWaalsContact CD1-O 3.24Å; L81-V117 WeakPolarHBondContact CD1-O 3.21Å; Q113-V117 PolarHBondContact O-N 3.02Å; V117-G121 PolarHBondContact O-N 3.26Å
118S85.2Confident76.2Confident68 Ų6878.3 Ų78.348%0.47643%0.431SS..Hα-helixtrans-63.6-46.5174-168.60000111.7L114 D116 R120 G121 D122L114-S118 VanDerWaalsContact O-CB 3.26Å; L114-S118 WeakPolarHBondContact O-CB 3.05Å; L114-S118 PolarHBondContact O-N 2.94Å; D116-S118 VanDerWaalsContact C-N 3.32Å; D116-S118 PolarHBondContact O-N 3.28Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.48Å; S118-G121 PolarHBondContact O-N 2.97Å; S118-D122 PolarHBondContact O-N 3.23Å
119A84.8Confident76.2Confident59 Ų5980.8 Ų80.849%0.48844%0.443SS..Hα-helixtrans-63.1-40179.600000112.1R115 D116 D122 A123R115-A119 WeakPolarHBondContact O-CB 3.29Å; R115-A119 PolarHBondContact O-N 3.44Å; D116-A119 PolarHBondContact O-N 3.08Å; A119-D122 PolarHBondContact O-N 3.44Å; A119-A123 PolarHBondContact O-N 3.44Å
120R82.8Confident75.5Confident36 Ų3682 Ų8214%0.13645%0.445CS..Hα-helixtrans-65.5-41.5173.8-72.1-18059.9-172.3-4.4111.9L81 N82 D116 S118 A123 V124 L130L81-R120 HydrophobicContact CD1-CB 3.88Å; N82-R120 PolarHBondContact OD1-NH2 2.81Å; D116-R120 WeakPolarHBondContact O-CB 3.38Å; D116-R120 WeakPolarHBondContact O-CG 3.49Å; D116-R120 PolarHBondContact O-N 3Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.48Å; R120-A123 WeakPolarHBondContact O-CB 3.45Å; R120-A123 PolarHBondContact O-N 3.49Å; R120-V124 WeakPolarHBondContact O-CG2 3.37Å; R120-V124 PolarHBondContact O-N 2.97Å; R120-L130 HydrophobicContact CB-CD1 4.32Å; R120-L130 HydrophobicContact CG-CD1 4.18Å
121G82.8Confident74.8Confident22 Ų2283.3 Ų83.323%0.22746%0.463CS..Hα-helixtrans-61.7-41.3174.100000113.4V117 S118 A123 V124 K125V117-G121 PolarHBondContact O-N 3.26Å; S118-G121 PolarHBondContact O-N 2.97Å; G121-A123 VanDerWaalsContact C-N 3.31Å; G121-A123 PolarHBondContact O-N 3.17Å; G121-V124 PolarHBondContact O-N 3.08Å; G121-K125 VanDerWaalsContact O-CB 3.31Å; G121-K125 WeakPolarHBondContact O-CB 3.46Å; G121-K125 PolarHBondContact O-N 2.9Å
122D84.2Confident73.9Confident84 Ų8487.3 Ų87.345%0.44948%0.479SS..Hα-helixtrans-66.3-33.3174.7-68.5-34.8000112S118 A119 N126S118-D122 PolarHBondContact O-N 3.23Å; A119-D122 PolarHBondContact O-N 3.44Å; D122-N126 VanDerWaalsContact O-CB 3.28Å; D122-N126 WeakPolarHBondContact O-CB 3.33Å; D122-N126 PolarHBondContact O-N 3.18Å; D122-N126 VanDerWaalsContact O-N 3.1Å; D122-N126 PolarHBondContact O-ND2 3.46Å
123A79.3Confident72.6Confident17 Ų1793 Ų9314%0.1450%0.497CS..Hα-helixtrans-67-47.6174.400000111.9A119 R120 G121 N126 G127 R128A119-A123 PolarHBondContact O-N 3.44Å; R120-A123 WeakPolarHBondContact O-CB 3.45Å; R120-A123 PolarHBondContact O-N 3.49Å; G121-A123 VanDerWaalsContact C-N 3.31Å; G121-A123 PolarHBondContact O-N 3.17Å; A123-N126 PolarHBondContact O-N 3Å; A123-G127 PolarHBondContact O-N 3.46Å; A123-R128 PolarHBondContact O-N 2.8Å
124V77.4Confident70.8Confident56 Ų5696.6 Ų96.634%0.33952%0.518SS..Hα-helixtrans-61.2-45.7176.51740000110.7L81 P84 R120 G121 N126 G127L81-V124 HydrophobicContact CD2-CG2 4.36Å; P84-V124 HydrophobicContact CB-CG1 4.4Å; R120-V124 WeakPolarHBondContact O-CG2 3.37Å; R120-V124 PolarHBondContact O-N 2.97Å; G121-V124 PolarHBondContact O-N 3.08Å; V124-N126 VanDerWaalsContact C-N 3.28Å; V124-N126 PolarHBondContact O-N 3.21Å; V124-G127 PolarHBondContact O-N 2.99Å; V124-G127 VanDerWaalsContact O-N 3.13Å
125K78.7Confident69.1Low175 Ų17596.7 Ų96.776%0.76153%0.526SS*.Hα-helixtrans-61.3-34.9177.8-173.7-179.6178.4-175.40113G121 G127G121-K125 VanDerWaalsContact O-CB 3.31Å; G121-K125 WeakPolarHBondContact O-CB 3.46Å; G121-K125 PolarHBondContact O-N 2.9Å; K125-G127 VanDerWaalsContact C-N 3.25Å; K125-G127 PolarHBondContact O-N 2.95Å
126N75.1Confident66.9Low95 Ų9591.7 Ų91.751%0.50853%0.529SS..THydrogen-bonded Turntrans-86.712179.9-68.5-37.1000113.4D122 A123 V124 R128D122-N126 VanDerWaalsContact O-CB 3.28Å; D122-N126 WeakPolarHBondContact O-CB 3.33Å; D122-N126 PolarHBondContact O-N 3.18Å; D122-N126 VanDerWaalsContact O-N 3.1Å; D122-N126 PolarHBondContact O-ND2 3.46Å; A123-N126 PolarHBondContact O-N 3Å; V124-N126 VanDerWaalsContact C-N 3.28Å; V124-N126 PolarHBondContact O-N 3.21Å; N126-R128 HydrophobicContact CB-CG 4.5Å; N126-R128 PolarHBondContact O-N 2.87Å
127G65.5Low64.7Low68 Ų6894.5 Ų94.570%0.70154%0.544SS*.THydrogen-bonded Turntrans65.719.8178.200000114A123 V124 K125A123-G127 PolarHBondContact O-N 3.46Å; V124-G127 PolarHBondContact O-N 2.99Å; V124-G127 VanDerWaalsContact O-N 3.13Å; K125-G127 VanDerWaalsContact C-N 3.25Å; K125-G127 PolarHBondContact O-N 2.95Å
128R60.5Low62.8Low165 Ų16599.1 Ų99.162%0.62357%0.574SS**  trans-88.2110.2173.8-58.7-171.1-167.3118.22.7107.9A123 N126 L130A123-R128 PolarHBondContact O-N 2.8Å; N126-R128 HydrophobicContact CB-CG 4.5Å; N126-R128 PolarHBondContact O-N 2.87Å; R128-L130 PolarHBondContact O-N 3.02Å; R128-L130 VanDerWaalsContact O-N 3.14Å
129T59.3Low60.6Low136 Ų136100.1 Ų100.183%0.83459%0.586SS**  trans-59.9114.716649.60000108
130L53.4Low58.4Low81 Ų81105.7 Ų105.742%0.42461%0.607SS.*  trans-53.7144.8166.4-87.2153.4000108.3R120 R128 E132R120-L130 HydrophobicContact CB-CD1 4.32Å; R120-L130 HydrophobicContact CG-CD1 4.18Å; R128-L130 PolarHBondContact O-N 3.02Å; R128-L130 VanDerWaalsContact O-N 3.14Å; L130-E132 PolarHBondContact O-N 3.29Å; L130-E132 VanDerWaalsContact O-N 3.09Å
131P51.7Low56.6Low109 Ų109109.2 Ų109.271%0.70863%0.632SS**  trans-54.2126.1174.125.4-31.7000106.8Q133P131-Q133 PolarHBondContact O-N 3.28Å
132E47Very low54.5Low178 Ų178113.4 Ų113.483%0.83266%0.658SS**  trans-46.3114.6172.9-125.1-157.5134.600106.5L130 D134L130-E132 PolarHBondContact O-N 3.29Å; L130-E132 VanDerWaalsContact O-N 3.09Å; E132-D134 PolarHBondContact O-N 3.2Å
133Q50.2Low52.6Low171 Ų171116.7 Ų116.780%0.79968%0.675SS**  trans-6896.3159.9-70.5-164.5-80.800103.1P131 S135P131-Q133 PolarHBondContact O-N 3.28Å; Q133-S135 PolarHBondContact O-N 3.01Å
134D37.5Very low51.1Low145 Ų145121.7 Ų121.778%0.77571%0.706SS**  trans-50.188.7163.1-1654.8000105.5E132 G136E132-D134 PolarHBondContact O-N 3.2Å; D134-G136 PolarHBondContact O-N 3.43Å
135S42.8Very low49.7Very low88 Ų88122 Ų12262%0.61572%0.722SS**  trans-68.786.9169.950.70000103.4Q133 L137Q133-S135 PolarHBondContact O-N 3.01Å; S135-L137 PolarHBondContact O-N 2.81Å
136G37.7Very low48.3Very low70 Ų70121.9 Ų121.972%0.72273%0.728SS**  trans-59.167.1157.100000108.9D134D134-G136 PolarHBondContact O-N 3.43Å
137L39.6Very low47.1Very low147 Ų147123 Ų12377%0.7774%0.741SS**  trans-75.6113149.7-100.5151.3000104.2S135 A139S135-L137 PolarHBondContact O-N 2.81Å; L137-A139 PolarHBondContact O-N 3.01Å
138P42.7Very low46.1Very low111 Ų111130.3 Ų130.372%0.72175%0.747SS**  trans-57.9132.8174.825.9-31.4000107.2L140P138-L140 PolarHBondContact O-N 3.42Å
139A40.4Very low45.5Very low89 Ų89131.2 Ų131.274%0.73676%0.761SS**  trans-34.2118.2165.900000109.2L137 V141L137-A139 PolarHBondContact O-N 3.01Å; A139-V141 PolarHBondContact O-N 3.39Å
140L38Very low45Very low176 Ų176131 Ų13192%0.92175%0.753SS**  trans-60.195.2159.2-80.3176.9000105.7P138 S142P138-L140 PolarHBondContact O-N 3.42Å; L140-S142 PolarHBondContact O-N 3.41Å
141V44.6Very low44.4Very low110 Ų110131.9 Ų131.967%0.66777%0.766SS**  trans8.9104.9150.2172.80000111.9A139 D143A139-V141 PolarHBondContact O-N 3.39Å; V141-D143 PolarHBondContact O-N 3.16Å
142S38.4Very low44.5Very low110 Ų110132.1 Ų132.177%0.76977%0.766SS**  trans-41.5110.1145.5-72.30000108.9L140 P144L140-S142 PolarHBondContact O-N 3.41Å; S142-P144 WeakPolarHBondContact O-CD 3.4Å
143D45.8Very low44.6Very low153 Ų153129.6 Ų129.682%0.81876%0.762SS**  trans-93.499.6154.6-94-33.5000107.6V141V141-D143 PolarHBondContact O-N 3.16Å
144P48.1Very low44.5Very low122 Ų122132.6 Ų132.679%0.79278%0.782SS**  trans-92.690.3164.435-25.1000107.2S142S142-P144 WeakPolarHBondContact O-CD 3.4Å
145G46.5Very low44.9Very low64 Ų64132 Ų13266%0.6678%0.783SS**  trans170.965.4177.700000117
146L50.3Low45Very low171 Ų171134.3 Ų134.390%0.89579%0.791SS**  trans-154.6130.4138.5-135.766.3000111.3
147P49.8Very low45.4Very low120 Ų120137.8 Ų137.878%0.77980%0.795SS**  trans-76.9151.8-170.416.3-6.8000112.9M149P147-M149 PolarHBondContact O-N 3.46Å
148R43.1Very low45.7Very low221 Ų221137.3 Ų137.383%0.83480%0.797SS**  trans-36.6123.3171-66.6-173.7162-174-5113.7
149M49Very low45.9Very low183 Ų183138.9 Ų138.990%0.90180%0.802SS**  trans-119.494.2143.1-82.5-173.370.900108.2P147 S151P147-M149 PolarHBondContact O-N 3.46Å; M149-S151 PolarHBondContact O-N 3.46Å
150I48.9Very low46.3Very low131 Ų131142.3 Ų142.367%0.67281%0.806SS**  trans-67.3114.9159.6-65.3162000105.5
151S41.1Very low46.9Very low100 Ų100139.9 Ų139.970%0.69980%0.798SS**  trans-126.395.3158.5-169.60000107.7M149 V153M149-S151 PolarHBondContact O-N 3.46Å; S151-V153 PolarHBondContact O-N 2.68Å
152T52.4Low47Very low115 Ų115142.2 Ų142.271%0.70681%0.808SS**  trans-67.5113.5163.3-580000107.9
153V49.7Very low47.8Very low124 Ų124144.8 Ų144.875%0.75281%0.811SS**  trans-134.176.5161.3-177.90000106.8S151S151-V153 PolarHBondContact O-N 2.68Å
154L48.5Very low47.9Very low234 Ų234144.1 Ų144.1100%1.22581%0.81SS**  trans172.70147.2-107.1136.5000109.1

Retrieved 154 of 154 residues in 130.7 ms (Link to these results)