A0A087WR15_MOUSE Loading...

MAS-related GPR, member B1

AlphaFold DB , UniProt , Accession A0A087WR15, Species MOUSE (Mus musculus, Mouse), Gene Mrgprb1, Length 122 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M55.1Low69.9Low239 Ų239130.4 Ų130.4100%1.17765%0.653SS**  040.90-72.2179-88.400110.5
2E58.6Low71.2Confident162 Ų162131.9 Ų131.976%0.75765%0.653SS**  trans-121.2-0.3-162.4-144149.3107.300113.9R4 T5E2-R4 VanDerWaalsContact C-N 3.34Å; E2-T5 PolarHBondContact O-OG1 3.42Å
3Q56.3Low72.6Confident167 Ų167130.9 Ų130.978%0.7865%0.648SS**Hα-helixtrans-80.6-17.3178.2-73.3-93.6-4500112.4
4R59.7Low73.9Confident212 Ų212128.1 Ų128.180%0.864%0.637SS**Hα-helixtrans-82.7-22.3-173.6-136.2-159.7-93.1-115.27.7113.5E2 I7E2-R4 VanDerWaalsContact C-N 3.34Å; R4-I7 HydrophobicContact CG-CD1 4.06Å; R4-I7 WeakPolarHBondContact O-CG1 3.49Å
5T63.4Low75Confident94 Ų94127.7 Ų127.758%0.57764%0.637SS**Hα-helixtrans-79.6-32-179.431.10000112.8E2 P9E2-T5 PolarHBondContact O-OG1 3.42Å; T5-P9 WeakPolarHBondContact O-CD 3.29Å
6E70.8Confident75.9Confident140 Ų140124.3 Ų124.365%0.65463%0.625SS**Hα-helixtrans-80.5-24.8-179.3-64.5-62.3124.700113.6P9E6-P9 WeakPolarHBondContact O-CD 3.31Å; E6-P9 WeakPolarHBondContact O-CG 3.25Å
7I77.2Confident76.6Confident74 Ų74122.9 Ų122.938%0.37962%0.618SS.*Hα-helixtrans-84.7-20.7-178.958.4176.8000113.8R4 L10 L11R4-I7 HydrophobicContact CG-CD1 4.06Å; R4-I7 WeakPolarHBondContact O-CG1 3.49Å; I7-L10 PolarHBondContact O-N 3.05Å; I7-L11 WeakPolarHBondContact O-CG 2.99Å; I7-L11 PolarHBondContact O-N 3.34Å
8A82.3Confident77.4Confident57 Ų57121.4 Ų121.447%0.47161%0.609SS.*Hα-helixtrans-59.7-45.8178.800000114K12A8-K12 PolarHBondContact O-N 3.25Å
9P82.6Confident78.1Confident61 Ų61120.6 Ų120.640%0.39661%0.607SS.*Hα-helixtrans-64.2-41.4174.923.6-33.1000111.7T5 E6 L11 K12 M13T5-P9 WeakPolarHBondContact O-CD 3.29Å; E6-P9 WeakPolarHBondContact O-CD 3.31Å; E6-P9 WeakPolarHBondContact O-CG 3.25Å; P9-L11 PolarHBondContact O-N 3.36Å; P9-K12 WeakPolarHBondContact O-CB 3.5Å; P9-K12 PolarHBondContact O-N 3.39Å; P9-K12 VanDerWaalsContact O-N 3.08Å; P9-M13 HydrophobicContact CB-SD 4.49Å; P9-M13 PolarHBondContact O-N 2.79Å
10L78.6Confident78.4Confident122 Ų122123 Ų12364%0.63961%0.608SS**Hα-helixtrans-59.2-44.3179.7-62.6179.9000112.4I7 K12 M13 D14I7-L10 PolarHBondContact O-N 3.05Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 2.97Å; L10-M13 PolarHBondContact O-N 2.91Å; L10-D14 PolarHBondContact O-N 3.46Å; L10-D14 VanDerWaalsContact O-N 3.11Å
11L84.5Confident78.7Confident106 Ų106120.5 Ų120.556%0.55560%0.6SS**Hα-helixtrans-66.4-32176.9-68.2172.5000112.7I7 P9 D14 L15I7-L11 WeakPolarHBondContact O-CG 2.99Å; I7-L11 PolarHBondContact O-N 3.34Å; P9-L11 PolarHBondContact O-N 3.36Å; L11-D14 PolarHBondContact O-N 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.2Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.41Å
12K85.4Confident80.2Confident149 Ų149114.1 Ų114.165%0.64857%0.57SS**Hα-helixtrans-69.5-40.9177.2-171179.7177.6178.60111.6A8 P9 L10 V16A8-K12 PolarHBondContact O-N 3.25Å; P9-K12 WeakPolarHBondContact O-CB 3.5Å; P9-K12 PolarHBondContact O-N 3.39Å; P9-K12 VanDerWaalsContact O-N 3.08Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 2.97Å; K12-V16 VanDerWaalsContact O-CG2 3.24Å; K12-V16 WeakPolarHBondContact O-CG2 3.06Å; K12-V16 PolarHBondContact O-N 2.9Å; K12-V16 VanDerWaalsContact O-N 3.09Å
13M89.3Confident81.5Confident119 Ų119110.3 Ų110.359%0.58655%0.554SS**Hα-helixtrans-64.2-43.5173.8-81.988.9168.700111.4P9 L10 L15 V16 I17P9-M13 HydrophobicContact CB-SD 4.49Å; P9-M13 PolarHBondContact O-N 2.79Å; L10-M13 PolarHBondContact O-N 2.91Å; M13-L15 PolarHBondContact O-N 3.42Å; M13-V16 PolarHBondContact O-N 3.43Å; M13-I17 WeakPolarHBondContact O-CD1 3.38Å; M13-I17 VanDerWaalsContact O-CG1 3.23Å; M13-I17 WeakPolarHBondContact O-CG1 3.41Å; M13-I17 PolarHBondContact O-N 3.28Å
14D91Very high82.6Confident92 Ų92107 Ų10749%0.49254%0.541SS..Hα-helixtrans-61-45.2179-161.5-101.8000111.5L10 L11 V16 I17 Q18L10-D14 PolarHBondContact O-N 3.46Å; L10-D14 VanDerWaalsContact O-N 3.11Å; L11-D14 PolarHBondContact O-N 3.3Å; D14-V16 PolarHBondContact O-N 3.19Å; D14-I17 PolarHBondContact O-N 3.29Å; D14-Q18 WeakPolarHBondContact O-CB 2.94Å; D14-Q18 VanDerWaalsContact O-CG 3.26Å; D14-Q18 WeakPolarHBondContact O-CG 3.36Å; D14-Q18 PolarHBondContact O-N 3.34Å
15L89.9Confident83.6Confident122 Ų122100.9 Ų100.964%0.63953%0.527SS*.Hα-helixtrans-59.7-42174.2-82.7165.6000113.2L11 M13 Q18 D19L11-L15 WeakPolarHBondContact O-CB 3.2Å; L11-L15 WeakPolarHBondContact O-CG 3.22Å; L11-L15 PolarHBondContact O-N 3.41Å; M13-L15 PolarHBondContact O-N 3.42Å; L15-Q18 PolarHBondContact O-N 2.87Å; L15-D19 WeakPolarHBondContact O-CB 3.2Å; L15-D19 PolarHBondContact O-N 3.15Å
16V89.6Confident84.4Confident73 Ų7398.9 Ų98.944%0.44252%0.521SS..Hα-helixtrans-67.8-38.7178.6170.80000111.2K12 M13 D14 W20K12-V16 VanDerWaalsContact O-CG2 3.24Å; K12-V16 WeakPolarHBondContact O-CG2 3.06Å; K12-V16 PolarHBondContact O-N 2.9Å; K12-V16 VanDerWaalsContact O-N 3.09Å; M13-V16 PolarHBondContact O-N 3.43Å; D14-V16 PolarHBondContact O-N 3.19Å; V16-W20 WeakPolarHBondContact O-CB 3.46Å; V16-W20 PolarHBondContact O-N 3.36Å
17I87.8Confident84.6Confident101 Ų10196.4 Ų96.452%0.51851%0.511SS..Hα-helixtrans-65.2-43.5175.4-67.6163.1000110.2M13 D14 T21M13-I17 WeakPolarHBondContact O-CD1 3.38Å; M13-I17 VanDerWaalsContact O-CG1 3.23Å; M13-I17 WeakPolarHBondContact O-CG1 3.41Å; M13-I17 PolarHBondContact O-N 3.28Å; D14-I17 PolarHBondContact O-N 3.29Å; I17-T21 WeakPolarHBondContact O-CB 3.38Å; I17-T21 PolarHBondContact O-N 3.27Å; I17-T21 PolarHBondContact O-OG1 3.46Å
18Q92Very high84.2Confident95 Ų95100 Ų10044%0.44452%0.524SS..Hα-helixtrans-63.7-45.4177.1-70.3-63.2-4100111.6D14 L15 T21 I22D14-Q18 WeakPolarHBondContact O-CB 2.94Å; D14-Q18 VanDerWaalsContact O-CG 3.26Å; D14-Q18 WeakPolarHBondContact O-CG 3.36Å; D14-Q18 PolarHBondContact O-N 3.34Å; L15-Q18 PolarHBondContact O-N 2.87Å; Q18-T21 WeakPolarHBondContact O-CB 3.37Å; Q18-T21 PolarHBondContact O-N 2.93Å; Q18-T21 VanDerWaalsContact O-N 3.14Å; Q18-I22 WeakPolarHBondContact O-CD1 3.19Å; Q18-I22 VanDerWaalsContact O-CG1 3.23Å; Q18-I22 WeakPolarHBondContact O-CG1 3.37Å; Q18-I22 PolarHBondContact O-N 3.32Å
19D89.3Confident83.2Confident107 Ų107104.6 Ų104.657%0.57254%0.536SS*.Hα-helixtrans-61.8-46.1179.2-17327.5000112.1L15 T21 I22 N23L15-D19 WeakPolarHBondContact O-CB 3.2Å; L15-D19 PolarHBondContact O-N 3.15Å; D19-T21 VanDerWaalsContact C-N 3.3Å; D19-T21 PolarHBondContact O-N 3.03Å; D19-I22 PolarHBondContact O-N 3.05Å; D19-N23 VanDerWaalsContact O-CB 3.29Å; D19-N23 WeakPolarHBondContact O-CB 3.33Å; D19-N23 PolarHBondContact O-N 3.37Å
20W84.3Confident82.3Confident167 Ų167105.3 Ų105.363%0.63354%0.542SS*.Hα-helixtrans-58.6-41.9172.4-92.991000112.4V16 N23 I24V16-W20 WeakPolarHBondContact O-CB 3.46Å; V16-W20 PolarHBondContact O-N 3.36Å; W20-N23 PolarHBondContact O-N 2.73Å; W20-I24 HydrophobicContact CE3-CD1 4.2Å; W20-I24 HydrophobicContact CE3-CG1 4.49Å; W20-I24 WeakPolarHBondContact O-CB 3.29Å; W20-I24 WeakPolarHBondContact O-CD1 3.32Å; W20-I24 WeakPolarHBondContact O-CG1 3.22Å; W20-I24 PolarHBondContact O-N 3.46Å
21T84.9Confident81.3Confident71 Ų71105 Ų10544%0.43654%0.541SS..Hα-helixtrans-66.5-41.2179.8-57.50000111.9I17 Q18 D19 T25I17-T21 WeakPolarHBondContact O-CB 3.38Å; I17-T21 PolarHBondContact O-N 3.27Å; I17-T21 PolarHBondContact O-OG1 3.46Å; Q18-T21 WeakPolarHBondContact O-CB 3.37Å; Q18-T21 PolarHBondContact O-N 2.93Å; Q18-T21 VanDerWaalsContact O-N 3.14Å; D19-T21 VanDerWaalsContact C-N 3.3Å; D19-T21 PolarHBondContact O-N 3.03Å; T21-T25 WeakPolarHBondContact O-CB 3.22Å; T21-T25 PolarHBondContact O-N 2.81Å; T21-T25 VanDerWaalsContact O-N 3.1Å; T21-T25 PolarHBondContact O-OG1 3.39Å
22I86.7Confident80.2Confident106 Ų106105.4 Ų105.454%0.54454%0.544SS..Hα-helixtrans-67-45.8177.2-67.1162.6000110.2Q18 D19 I24 T25 A26Q18-I22 WeakPolarHBondContact O-CD1 3.19Å; Q18-I22 VanDerWaalsContact O-CG1 3.23Å; Q18-I22 WeakPolarHBondContact O-CG1 3.37Å; Q18-I22 PolarHBondContact O-N 3.32Å; D19-I22 PolarHBondContact O-N 3.05Å; I22-I24 PolarHBondContact O-N 3.24Å; I22-T25 PolarHBondContact O-N 2.65Å; I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 3.48Å
23N86.9Confident79Confident82 Ų82104.3 Ų104.344%0.43955%0.545SS..Hα-helixtrans-62.5-42.6178.7-170.112.5000111.8D19 W20 T25 A26 L27D19-N23 VanDerWaalsContact O-CB 3.29Å; D19-N23 WeakPolarHBondContact O-CB 3.33Å; D19-N23 PolarHBondContact O-N 3.37Å; W20-N23 PolarHBondContact O-N 2.73Å; N23-T25 VanDerWaalsContact C-N 3.33Å; N23-T25 PolarHBondContact O-N 2.82Å; N23-A26 PolarHBondContact O-N 3.45Å; N23-L27 VanDerWaalsContact O-CB 3.3Å; N23-L27 WeakPolarHBondContact O-CB 3.28Å; N23-L27 WeakPolarHBondContact O-CG 3.24Å; N23-L27 PolarHBondContact O-N 2.77Å
24I79.4Confident77.7Confident97 Ų97102.7 Ų102.750%0.49756%0.559SS.*Hα-helixtrans-62.3-41.1175-68.5164.5000111.3W20 I22 K28W20-I24 HydrophobicContact CE3-CD1 4.2Å; W20-I24 HydrophobicContact CE3-CG1 4.49Å; W20-I24 WeakPolarHBondContact O-CB 3.29Å; W20-I24 WeakPolarHBondContact O-CD1 3.32Å; W20-I24 WeakPolarHBondContact O-CG1 3.22Å; W20-I24 PolarHBondContact O-N 3.46Å; I22-I24 PolarHBondContact O-N 3.24Å; I24-K28 VanDerWaalsContact O-CB 3.32Å; I24-K28 WeakPolarHBondContact O-CB 3.45Å; I24-K28 PolarHBondContact O-N 3.18Å
25T80.4Confident76.3Confident83 Ų83103.6 Ų103.651%0.50956%0.563SS.*Hα-helixtrans-66.5-43.4178.9-54.30000111.1T21 I22 N23 K28 E29T21-T25 WeakPolarHBondContact O-CB 3.22Å; T21-T25 PolarHBondContact O-N 2.81Å; T21-T25 VanDerWaalsContact O-N 3.1Å; T21-T25 PolarHBondContact O-OG1 3.39Å; I22-T25 PolarHBondContact O-N 2.65Å; N23-T25 VanDerWaalsContact C-N 3.33Å; N23-T25 PolarHBondContact O-N 2.82Å; T25-K28 PolarHBondContact O-N 3.4Å; T25-E29 PolarHBondContact O-N 2.71Å
26A78.9Confident75.6Confident53 Ų53101 Ų10144%0.43856%0.555SS.*Hα-helixtrans-66.4-40.1176.500000112.5I22 N23 K28 E29 S30I22-A26 WeakPolarHBondContact O-CB 3.28Å; I22-A26 PolarHBondContact O-N 3.48Å; N23-A26 PolarHBondContact O-N 3.45Å; A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 2.8Å; A26-E29 PolarHBondContact O-N 3.44Å; A26-S30 PolarHBondContact O-N 2.89Å; A26-S30 PolarHBondContact O-OG 3.36Å
27L75.3Confident74.8Confident87 Ų87105.7 Ų105.746%0.45557%0.57SS.*Hα-helixtrans-66.7-33.8175.2-74.3173.1000112.1N23 S30 N31N23-L27 VanDerWaalsContact O-CB 3.3Å; N23-L27 WeakPolarHBondContact O-CB 3.28Å; N23-L27 WeakPolarHBondContact O-CG 3.24Å; N23-L27 PolarHBondContact O-N 2.77Å; L27-S30 WeakPolarHBondContact CA-OG 3.39Å; L27-S30 PolarHBondContact O-N 2.75Å; L27-S30 PolarHBondContact O-OG 2.89Å; L27-S30 VanDerWaalsContact O-OG 3.1Å; L27-N31 VanDerWaalsContact O-CB 3.22Å; L27-N31 WeakPolarHBondContact O-CB 3.48Å; L27-N31 PolarHBondContact O-N 2.8Å
28K68.3Low74.1Confident150 Ų150105.3 Ų105.365%0.65258%0.575SS**Hα-helixtrans-68.9-42.8174.5-174.4176.1174.5-178.60111I24 T25 A26 S30 N31 D32I24-K28 VanDerWaalsContact O-CB 3.32Å; I24-K28 WeakPolarHBondContact O-CB 3.45Å; I24-K28 PolarHBondContact O-N 3.18Å; T25-K28 PolarHBondContact O-N 3.4Å; A26-K28 VanDerWaalsContact C-N 3.31Å; A26-K28 PolarHBondContact O-N 2.8Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 2.92Å; K28-N31 PolarHBondContact O-N 3.48Å; K28-D32 PolarHBondContact O-N 2.91Å
29E61.6Low73.5Confident154 Ų154106 Ų10672%0.7258%0.578SS**Hα-helixtrans-63.3-33174.2-167.6177.6131.300112.2T25 A26T25-E29 PolarHBondContact O-N 2.71Å; A26-E29 PolarHBondContact O-N 3.44Å
30S63.4Low73.2Confident76 Ų76103.9 Ų103.953%0.53157%0.569SS.*Hα-helixtrans-85.6-26.417771.70000115A26 L27 K28 D32A26-S30 PolarHBondContact O-N 2.89Å; A26-S30 PolarHBondContact O-OG 3.36Å; L27-S30 WeakPolarHBondContact CA-OG 3.39Å; L27-S30 PolarHBondContact O-N 2.75Å; L27-S30 PolarHBondContact O-OG 2.89Å; L27-S30 VanDerWaalsContact O-OG 3.1Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 2.92Å; S30-D32 VanDerWaalsContact C-N 3.33Å
31N59.4Low73.3Confident115 Ų11598.6 Ų98.662%0.61556%0.555SS**SBendtrans-90.96.4177.1-88-5.4000113.5L27 K28 N33L27-N31 VanDerWaalsContact O-CB 3.22Å; L27-N31 WeakPolarHBondContact O-CB 3.48Å; L27-N31 PolarHBondContact O-N 2.8Å; K28-N31 PolarHBondContact O-N 3.48Å; N31-N33 PolarHBondContact O-N 2.82Å
32D61.4Low73.5Confident114 Ų11498.5 Ų98.561%0.6156%0.557SS**  trans-69.969.7156.9-69.8-25.7000107.9K28 S30 G34K28-D32 PolarHBondContact O-N 2.91Å; S30-D32 VanDerWaalsContact C-N 3.33Å; D32-G34 PolarHBondContact O-N 3.45Å
33N59.2Low73.6Confident126 Ų126101 Ų10167%0.67456%0.56SS**  trans-47108.4161.7-63.8-21.7000105.3N31 I35N31-N33 PolarHBondContact O-N 2.82Å; N33-I35 PolarHBondContact O-N 3.29Å
34G61.6Low73.7Confident85 Ų85100.2 Ų100.288%0.87656%0.558SS**SBendtrans-64.555.4-166.700000114.8D32D32-G34 PolarHBondContact O-N 3.45Å
35I63.1Low74.3Confident111 Ų111101.6 Ų101.657%0.56956%0.564SS**SBendtrans-113101.8164.2-44.9-178.2000104N33 F37 V40N33-I35 PolarHBondContact O-N 3.29Å; I35-F37 PolarHBondContact O-N 3.28Å; I35-F37 VanDerWaalsContact O-N 3.1Å; I35-V40 HydrophobicContact CB-CG2 4.17Å; I35-V40 HydrophobicContact CG2-CG2 3.31Å
36S74.6Confident74.8Confident69 Ų69101.5 Ų101.548%0.48356%0.564SS.*  trans-47.2121.6176.5170.70000109.3C38 E39 V40S36-C38 PolarHBondContact O-N 2.87Å; S36-C38 WeakPolarHBondContact OG-CB 3.47Å; S36-C38 PolarHBondContact OG-N 3.42Å; S36-E39 WeakPolarHBondContact O-CA 3.03Å; S36-E39 WeakPolarHBondContact O-CB 3.24Å; S36-E39 PolarHBondContact O-N 2.9Å; S36-V40 PolarHBondContact O-N 2.86Å; S36-V40 VanDerWaalsContact O-N 3.09Å
37F71.9Confident75.4Confident170 Ų170104.6 Ų104.675%0.74657%0.567SS**Hα-helixtrans-52.6-33.1177.3-176.4-100.6000111.2I35 E39 V40 V41I35-F37 PolarHBondContact O-N 3.28Å; I35-F37 VanDerWaalsContact O-N 3.1Å; F37-E39 PolarHBondContact O-N 3.43Å; F37-V40 PolarHBondContact O-N 3.45Å; F37-V41 HydrophobicContact CD1-CG2 3.89Å; F37-V41 HydrophobicContact CE1-CG2 3.6Å; F37-V41 HydrophobicContact CE2-CG2 4.29Å; F37-V41 HydrophobicContact CG-CG2 4.37Å; F37-V41 HydrophobicContact CZ-CG2 3.81Å; F37-V41 WeakPolarHBondContact O-CB 3.35Å; F37-V41 WeakPolarHBondContact O-CG2 3.34Å; F37-V41 PolarHBondContact O-N 3.41Å
38C73.2Confident76.2Confident93 Ų93104.8 Ų104.863%0.62857%0.568SS**Hα-helixtrans-62.8-39.8174-167.40000112.5S36 S42S36-C38 PolarHBondContact O-N 2.87Å; S36-C38 WeakPolarHBondContact OG-CB 3.47Å; S36-C38 PolarHBondContact OG-N 3.42Å; C38-S42 WeakPolarHBondContact O-CB 3.33Å; C38-S42 PolarHBondContact O-N 3.26Å
39E79.7Confident77.4Confident109 Ų109101.4 Ų101.451%0.50956%0.564SS.*Hα-helixtrans-68.9-43.6177.1-170.3-178.2169.800111.5S36 F37 S42 R43S36-E39 WeakPolarHBondContact O-CA 3.03Å; S36-E39 WeakPolarHBondContact O-CB 3.24Å; S36-E39 PolarHBondContact O-N 2.9Å; F37-E39 PolarHBondContact O-N 3.43Å; E39-S42 PolarHBondContact O-N 2.89Å; E39-R43 WeakPolarHBondContact O-CB 3.31Å; E39-R43 PolarHBondContact O-N 3.45Å
40V83.4Confident78.8Confident64 Ų6498.6 Ų98.639%0.38855%0.553SS.*Hα-helixtrans-62.8-45.9176.2-177.80000110.8I35 S36 F37 R43 T44I35-V40 HydrophobicContact CB-CG2 4.17Å; I35-V40 HydrophobicContact CG2-CG2 3.31Å; S36-V40 PolarHBondContact O-N 2.86Å; S36-V40 VanDerWaalsContact O-N 3.09Å; F37-V40 PolarHBondContact O-N 3.45Å; V40-R43 PolarHBondContact O-N 2.79Å; V40-T44 VanDerWaalsContact O-CB 3.24Å; V40-T44 WeakPolarHBondContact O-CB 3.24Å; V40-T44 PolarHBondContact O-N 2.96Å; V40-T44 PolarHBondContact O-OG1 2.94Å
41V86.6Confident80.1Confident56 Ų5699.8 Ų99.834%0.33955%0.552SS.*Hα-helixtrans-63.2-46.3177.9170.60000110.5F37 T44 M45F37-V41 HydrophobicContact CD1-CG2 3.89Å; F37-V41 HydrophobicContact CE1-CG2 3.6Å; F37-V41 HydrophobicContact CE2-CG2 4.29Å; F37-V41 HydrophobicContact CG-CG2 4.37Å; F37-V41 HydrophobicContact CZ-CG2 3.81Å; F37-V41 WeakPolarHBondContact O-CB 3.35Å; F37-V41 WeakPolarHBondContact O-CG2 3.34Å; F37-V41 PolarHBondContact O-N 3.41Å; V41-T44 PolarHBondContact O-N 3.44Å; V41-M45 HydrophobicContact CG1-CG 4.4Å; V41-M45 WeakPolarHBondContact O-CB 3.48Å; V41-M45 VanDerWaalsContact O-CG 3.26Å; V41-M45 WeakPolarHBondContact O-CG 3.37Å; V41-M45 PolarHBondContact O-N 2.86Å
42S87.8Confident81.6Confident69 Ų6999.5 Ų99.548%0.48355%0.55SS..Hα-helixtrans-59.4-50177.5-177.20000111.5C38 E39 T44 M45 T46C38-S42 WeakPolarHBondContact O-CB 3.33Å; C38-S42 PolarHBondContact O-N 3.26Å; E39-S42 PolarHBondContact O-N 2.89Å; S42-T44 VanDerWaalsContact C-N 3.33Å; S42-T44 PolarHBondContact O-N 2.87Å; S42-M45 PolarHBondContact O-N 2.89Å; S42-T46 PolarHBondContact O-N 2.98Å; S42-T46 PolarHBondContact O-OG1 2.78Å; S42-T46 VanDerWaalsContact O-OG1 3.1Å
43R88.8Confident83Confident157 Ų15797.1 Ų97.159%0.59255%0.546SS*.Hα-helixtrans-56.1-49174.9-111.5-177.6-179.6-1693.2111.6E39 V40 M45 T46 F47E39-R43 WeakPolarHBondContact O-CB 3.31Å; E39-R43 PolarHBondContact O-N 3.45Å; V40-R43 PolarHBondContact O-N 2.79Å; R43-M45 VanDerWaalsContact C-N 3.33Å; R43-M45 PolarHBondContact O-N 3.22Å; R43-T46 PolarHBondContact O-N 3.32Å; R43-F47 HydrophobicContact CB-CD2 4.26Å; R43-F47 HydrophobicContact CB-CE2 4.2Å; R43-F47 HydrophobicContact CG-CD2 4.39Å; R43-F47 HydrophobicContact CG-CE2 3.86Å; R43-F47 WeakPolarHBondContact O-CD2 3.48Å; R43-F47 PolarHBondContact O-N 2.84Å
44T90.3Very high84.3Confident67 Ų6796.3 Ų96.341%0.41154%0.541SS..Hα-helixtrans-61.6-43-175.9-59.20000111V40 V41 S42 F47 L48V40-T44 VanDerWaalsContact O-CB 3.24Å; V40-T44 WeakPolarHBondContact O-CB 3.24Å; V40-T44 PolarHBondContact O-N 2.96Å; V40-T44 PolarHBondContact O-OG1 2.94Å; V41-T44 PolarHBondContact O-N 3.44Å; S42-T44 VanDerWaalsContact C-N 3.33Å; S42-T44 PolarHBondContact O-N 2.87Å; T44-F47 PolarHBondContact O-N 3.26Å; T44-L48 HydrophobicContact CG2-CD1 3.85Å; T44-L48 WeakPolarHBondContact O-CB 3.26Å; T44-L48 PolarHBondContact O-N 3.1Å
45M90.6Very high85.6Confident126 Ų12696.8 Ų96.862%0.62153%0.527SS*.Hα-helixtrans-62.8-43.6176.1-70.2-67176.400112.1V41 S42 R43 L48 S49V41-M45 HydrophobicContact CG1-CG 4.4Å; V41-M45 WeakPolarHBondContact O-CB 3.48Å; V41-M45 VanDerWaalsContact O-CG 3.26Å; V41-M45 WeakPolarHBondContact O-CG 3.37Å; V41-M45 PolarHBondContact O-N 2.86Å; S42-M45 PolarHBondContact O-N 2.89Å; R43-M45 VanDerWaalsContact C-N 3.33Å; R43-M45 PolarHBondContact O-N 3.22Å; M45-L48 PolarHBondContact O-N 2.67Å; M45-S49 WeakPolarHBondContact O-CB 3.5Å; M45-S49 PolarHBondContact O-N 3.39Å
46T91.3Very high86.6Confident81 Ų8193.1 Ų93.150%0.49752%0.516SS..Hα-helixtrans-61.7-46.4175.6-54.30000111.4S42 R43 S49 L50S42-T46 PolarHBondContact O-N 2.98Å; S42-T46 PolarHBondContact O-OG1 2.78Å; S42-T46 VanDerWaalsContact O-OG1 3.1Å; R43-T46 PolarHBondContact O-N 3.32Å; T46-S49 PolarHBondContact O-N 2.93Å; T46-L50 HydrophobicContact CG2-CD1 4.27Å; T46-L50 WeakPolarHBondContact O-CG 3.3Å; T46-L50 PolarHBondContact O-N 3.48Å
47F92.4Very high86.8Confident118 Ų11895.8 Ų95.852%0.51852%0.524SS..Hα-helixtrans-62.8-43.5177.4-77.3-63.8000112.3R43 T44 S49 L50 I51R43-F47 HydrophobicContact CB-CD2 4.26Å; R43-F47 HydrophobicContact CB-CE2 4.2Å; R43-F47 HydrophobicContact CG-CD2 4.39Å; R43-F47 HydrophobicContact CG-CE2 3.86Å; R43-F47 WeakPolarHBondContact O-CD2 3.48Å; R43-F47 PolarHBondContact O-N 2.84Å; T44-F47 PolarHBondContact O-N 3.26Å; F47-S49 VanDerWaalsContact C-N 3.34Å; F47-S49 PolarHBondContact O-N 2.92Å; F47-L50 PolarHBondContact O-N 2.64Å; F47-I51 VanDerWaalsContact O-CG1 3.24Å; F47-I51 WeakPolarHBondContact O-CG1 3.44Å; F47-I51 PolarHBondContact O-N 3.36Å
48L92Very high87.2Confident91 Ų9191.7 Ų91.748%0.47651%0.513SS..Hα-helixtrans-58.6-46.3175.5-110.9127.3000111.5T44 M45 L50 I51 I52T44-L48 HydrophobicContact CG2-CD1 3.85Å; T44-L48 WeakPolarHBondContact O-CB 3.26Å; T44-L48 PolarHBondContact O-N 3.1Å; M45-L48 PolarHBondContact O-N 2.67Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.27Å; L48-I51 PolarHBondContact O-N 3.09Å; L48-I52 HydrophobicContact CD2-CD1 4.12Å; L48-I52 WeakPolarHBondContact O-CB 3.39Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.33Å; L48-I52 PolarHBondContact O-N 2.87Å
49S92.3Very high87.6Confident79 Ų7988.7 Ų88.755%0.55250%0.498SS*.Hα-helixtrans-63.4-39.4178.7-163.70000112M45 T46 F47 A53M45-S49 WeakPolarHBondContact O-CB 3.5Å; M45-S49 PolarHBondContact O-N 3.39Å; T46-S49 PolarHBondContact O-N 2.93Å; F47-S49 VanDerWaalsContact C-N 3.34Å; F47-S49 PolarHBondContact O-N 2.92Å; S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.41Å; S49-A53 PolarHBondContact O-N 3.06Å
50L91.2Very high87.3Confident95 Ų9588.8 Ų88.850%0.49750%0.502SS..Hα-helixtrans-64.5-43.2175-72.6171.9000111.9T46 F47 L48 A53 L54T46-L50 HydrophobicContact CG2-CD1 4.27Å; T46-L50 WeakPolarHBondContact O-CG 3.3Å; T46-L50 PolarHBondContact O-N 3.48Å; F47-L50 PolarHBondContact O-N 2.64Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.27Å; L50-A53 PolarHBondContact O-N 3.34Å; L50-L54 WeakPolarHBondContact O-CB 3.14Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.42Å
51I91.8Very high86.9Confident100 Ų10088.5 Ų88.551%0.51351%0.507SS..Hα-helixtrans-64.8-45.1178-67.2166000110.2F47 L48 A53 L54 V55F47-I51 VanDerWaalsContact O-CG1 3.24Å; F47-I51 WeakPolarHBondContact O-CG1 3.44Å; F47-I51 PolarHBondContact O-N 3.36Å; L48-I51 PolarHBondContact O-N 3.09Å; I51-A53 VanDerWaalsContact C-N 3.32Å; I51-A53 PolarHBondContact O-N 2.81Å; I51-L54 PolarHBondContact O-N 2.85Å; I51-V55 HydrophobicContact CG2-CG2 4.1Å; I51-V55 WeakPolarHBondContact O-CB 3.16Å; I51-V55 WeakPolarHBondContact O-CG2 3.33Å; I51-V55 PolarHBondContact O-N 3.41Å
52I90.8Very high86.2Confident110 Ų11089.5 Ų89.556%0.56451%0.513SS*.Hα-helixtrans-63-40.8177.5-66.4163.8000110.5L48 V55 G56L48-I52 HydrophobicContact CD2-CD1 4.12Å; L48-I52 WeakPolarHBondContact O-CB 3.39Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.33Å; L48-I52 PolarHBondContact O-N 2.87Å; I52-V55 PolarHBondContact O-N 3.1Å; I52-G56 PolarHBondContact O-N 3.36Å
53A90.2Very high85.4Confident64 Ų6490.5 Ų90.553%0.52952%0.516SS..Hα-helixtrans-64.2-42.6176.100000112.2S49 L50 I51 G56 L57S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.41Å; S49-A53 PolarHBondContact O-N 3.06Å; L50-A53 PolarHBondContact O-N 3.34Å; I51-A53 VanDerWaalsContact C-N 3.32Å; I51-A53 PolarHBondContact O-N 2.81Å; A53-G56 PolarHBondContact O-N 2.85Å; A53-L57 WeakPolarHBondContact O-CB 3.22Å; A53-L57 PolarHBondContact O-N 3.4Å
54L87.6Confident84.4Confident108 Ų10889.2 Ų89.257%0.56552%0.52SS*.Hα-helixtrans-64.1-47.9175.2-84.2159.5000111.7L50 I51 G56 L57 V58L50-L54 WeakPolarHBondContact O-CB 3.14Å; L50-L54 WeakPolarHBondContact O-CG 3.21Å; L50-L54 PolarHBondContact O-N 3.42Å; I51-L54 PolarHBondContact O-N 2.85Å; L54-G56 VanDerWaalsContact C-N 3.29Å; L54-G56 PolarHBondContact O-N 3.1Å; L54-L57 PolarHBondContact O-N 3.06Å; L54-V58 VanDerWaalsContact O-CB 3.32Å; L54-V58 WeakPolarHBondContact O-CB 3.29Å; L54-V58 VanDerWaalsContact O-CG2 3.22Å; L54-V58 WeakPolarHBondContact O-CG2 3.18Å; L54-V58 PolarHBondContact O-N 2.85Å
55V88.1Confident83.1Confident96 Ų9693.3 Ų93.358%0.58253%0.528SS*.Hα-helixtrans-64.9-35.8177.7172.40000110.8I51 I52 G59I51-V55 HydrophobicContact CG2-CG2 4.1Å; I51-V55 WeakPolarHBondContact O-CB 3.16Å; I51-V55 WeakPolarHBondContact O-CG2 3.33Å; I51-V55 PolarHBondContact O-N 3.41Å; I52-V55 PolarHBondContact O-N 3.1Å; V55-G59 VanDerWaalsContact O-CA 3.28Å; V55-G59 WeakPolarHBondContact O-CA 3.47Å; V55-G59 PolarHBondContact O-N 3.47Å
56G83.7Confident81.6Confident33 Ų3393.2 Ų93.234%0.3452%0.524SS..Hα-helixtrans-67.1-44.1173.300000112.4I52 A53 L54 G59 N60I52-G56 PolarHBondContact O-N 3.36Å; A53-G56 PolarHBondContact O-N 2.85Å; L54-G56 VanDerWaalsContact C-N 3.29Å; L54-G56 PolarHBondContact O-N 3.1Å; G56-G59 PolarHBondContact O-N 2.94Å; G56-N60 WeakPolarHBondContact O-CB 3.48Å; G56-N60 VanDerWaalsContact O-CG 3.23Å; G56-N60 PolarHBondContact O-N 3.35Å; G56-N60 PolarHBondContact O-ND2 2.98Å
57L78.3Confident80.1Confident126 Ų12695 Ų9566%0.6653%0.53SS*.Hα-helixtrans-64.3-48.1176.5-167.588.8000111.4A53 L54 G59 N60 A61A53-L57 WeakPolarHBondContact O-CB 3.22Å; A53-L57 PolarHBondContact O-N 3.4Å; L54-L57 PolarHBondContact O-N 3.06Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-N60 PolarHBondContact O-N 3.49Å; L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.21Å
58V82.1Confident78.5Confident83 Ų8391.3 Ų91.350%0.50353%0.525SS..Hα-helixtrans-67.3-37.2177.4174.40000110.6L54 A61 T62L54-V58 VanDerWaalsContact O-CB 3.32Å; L54-V58 WeakPolarHBondContact O-CB 3.29Å; L54-V58 VanDerWaalsContact O-CG2 3.22Å; L54-V58 WeakPolarHBondContact O-CG2 3.18Å; L54-V58 PolarHBondContact O-N 2.85Å; V58-A61 CarbonylContact O-C 3.6Å; V58-A61 PolarHBondContact O-N 3.32Å; V58-T62 WeakPolarHBondContact O-CB 3.4Å; V58-T62 PolarHBondContact O-N 2.94Å; V58-T62 PolarHBondContact O-OG1 2.97Å
59G80.9Confident76.4Confident31 Ų3194.7 Ų94.732%0.3254%0.537SS..Hα-helixtrans-63.4-46.1175.200000111.5V55 G56 L57 T62 V63V55-G59 VanDerWaalsContact O-CA 3.28Å; V55-G59 WeakPolarHBondContact O-CA 3.47Å; V55-G59 PolarHBondContact O-N 3.47Å; G56-G59 PolarHBondContact O-N 2.94Å; L57-G59 VanDerWaalsContact C-N 3.34Å; G59-T62 PolarHBondContact O-N 3.42Å; G59-V63 WeakPolarHBondContact O-CB 3.24Å; G59-V63 VanDerWaalsContact O-CG2 3.28Å; G59-V63 WeakPolarHBondContact O-CG2 3.5Å; G59-V63 PolarHBondContact O-N 3.48Å
60N73.5Confident74.6Confident110 Ų11097.3 Ų97.359%0.58854%0.54SS*.Hα-helixtrans-62.4-43.9173.9-75.4-44.6000111.7G56 L57 T62 V63 L64G56-N60 WeakPolarHBondContact O-CB 3.48Å; G56-N60 VanDerWaalsContact O-CG 3.23Å; G56-N60 PolarHBondContact O-N 3.35Å; G56-N60 PolarHBondContact O-ND2 2.98Å; L57-N60 PolarHBondContact O-N 3.49Å; N60-T62 VanDerWaalsContact C-N 3.33Å; N60-T62 PolarHBondContact O-N 3.43Å; N60-V63 PolarHBondContact O-N 3.38Å; N60-L64 WeakPolarHBondContact O-CB 3.34Å; N60-L64 WeakPolarHBondContact O-CD1 3.43Å; N60-L64 PolarHBondContact O-N 3.44Å
61A74.8Confident72.6Confident59 Ų59101 Ų10149%0.48856%0.557SS.*Hα-helixtrans-64.2-37.9175.200000112.2L57 V58 W65L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.21Å; V58-A61 CarbonylContact O-C 3.6Å; V58-A61 PolarHBondContact O-N 3.32Å; A61-W65 WeakPolarHBondContact O-CB 3.49Å; A61-W65 PolarHBondContact O-N 2.84Å
62T71.7Confident70.8Confident76 Ų76100.2 Ų100.247%0.46656%0.561SS.*Hα-helixtrans-72.2-38179.4-58.20000111.1V58 G59 N60 W65 F66V58-T62 WeakPolarHBondContact O-CB 3.4Å; V58-T62 PolarHBondContact O-N 2.94Å; V58-T62 PolarHBondContact O-OG1 2.97Å; G59-T62 PolarHBondContact O-N 3.42Å; N60-T62 VanDerWaalsContact C-N 3.33Å; N60-T62 PolarHBondContact O-N 3.43Å; T62-W65 WeakPolarHBondContact O-CB 3.47Å; T62-W65 PolarHBondContact O-N 3.5Å; T62-F66 WeakPolarHBondContact O-CB 3.38Å; T62-F66 PolarHBondContact O-N 3.46Å
63V71.4Confident69Low90 Ų90102.7 Ų102.755%0.54556%0.563SS.*Hα-helixtrans-69.8-45.7174.9173.60000110.2G59 N60 W65 F66 L67G59-V63 WeakPolarHBondContact O-CB 3.24Å; G59-V63 VanDerWaalsContact O-CG2 3.28Å; G59-V63 WeakPolarHBondContact O-CG2 3.5Å; G59-V63 PolarHBondContact O-N 3.48Å; N60-V63 PolarHBondContact O-N 3.38Å; V63-W65 VanDerWaalsContact C-N 3.28Å; V63-W65 PolarHBondContact O-N 3.5Å; V63-F66 PolarHBondContact O-N 3.32Å; V63-L67 VanDerWaalsContact O-CB 3.29Å; V63-L67 WeakPolarHBondContact O-CB 3.48Å; V63-L67 PolarHBondContact O-N 2.88Å
64L67.6Low67.2Low131 Ų131106.6 Ų106.669%0.68658%0.575SS**Hα-helixtrans-60.9-37.6173-95.7134.7000112.3N60 G68N60-L64 WeakPolarHBondContact O-CB 3.34Å; N60-L64 WeakPolarHBondContact O-CD1 3.43Å; N60-L64 PolarHBondContact O-N 3.44Å; L64-G68 PolarHBondContact O-N 3.21Å
65W63.7Low65.6Low152 Ų152105 Ų10558%0.57658%0.577SS**Hα-helixtrans-63.1-47.9171.7178.3-91.4000111.6A61 T62 V63 G68 F69 F97A61-W65 WeakPolarHBondContact O-CB 3.49Å; A61-W65 PolarHBondContact O-N 2.84Å; T62-W65 WeakPolarHBondContact O-CB 3.47Å; T62-W65 PolarHBondContact O-N 3.5Å; V63-W65 VanDerWaalsContact C-N 3.28Å; V63-W65 PolarHBondContact O-N 3.5Å; W65-G68 PolarHBondContact O-N 2.87Å; W65-F69 WeakPolarHBondContact O-CB 3.43Å; W65-F69 PolarHBondContact O-N 3.26Å; W65-F97 AromaticContact CH2-CE2 3.67Å; W65-F97 HydrophobicContact CH2-CE2 3.67Å; W65-F97 AromaticContact CH2-CZ 3.51Å; W65-F97 HydrophobicContact CH2-CZ 3.51Å; W65-F97 HydrophobicContact CZ2-CZ 4.26Å; W65-F97 HydrophobicContact CZ3-CZ 4.44Å
66F58.3Low64Low125 Ų125105.5 Ų105.555%0.54857%0.572SS.*Hα-helixtrans-69-36.7-179.4-162.8-95.5000112T62 V63 F69 Q70T62-F66 WeakPolarHBondContact O-CB 3.38Å; T62-F66 PolarHBondContact O-N 3.46Å; V63-F66 PolarHBondContact O-N 3.32Å; F66-F69 WeakPolarHBondContact O-CB 3.45Å; F66-F69 PolarHBondContact O-N 3.37Å; F66-Q70 WeakPolarHBondContact O-CB 3.23Å; F66-Q70 PolarHBondContact O-N 2.93Å
67L60.6Low62.6Low117 Ų117106 Ų10661%0.61357%0.57SS**Hα-helixtrans-69.7-39.7174.5-133.171.7000111.5V63 F69 Q70V63-L67 VanDerWaalsContact O-CB 3.29Å; V63-L67 WeakPolarHBondContact O-CB 3.48Å; V63-L67 PolarHBondContact O-N 2.88Å; L67-F69 VanDerWaalsContact C-N 3.31Å; L67-Q70 PolarHBondContact O-N 3.06Å
68G57.2Low61.5Low41 Ų41103.9 Ų103.942%0.42356%0.562SS.*Hα-helixtrans-65.2-35.6171.200000112.3L64 W65 Q70 S72L64-G68 PolarHBondContact O-N 3.21Å; W65-G68 PolarHBondContact O-N 2.87Å; G68-Q70 VanDerWaalsContact C-N 3.32Å; G68-S72 PolarHBondContact O-N 3.41Å; G68-S72 VanDerWaalsContact O-O 3.1Å
69F49.1Very low60Low163 Ų163107 Ų10772%0.71557%0.566SS**Hα-helixtrans-67.5-31.2173.7-161.8-99.6000112.4W65 F66 L67W65-F69 WeakPolarHBondContact O-CB 3.43Å; W65-F69 PolarHBondContact O-N 3.26Å; F66-F69 WeakPolarHBondContact O-CB 3.45Å; F66-F69 PolarHBondContact O-N 3.37Å; L67-F69 VanDerWaalsContact C-N 3.31Å
70Q53.9Low59Low133 Ų133110.1 Ų110.162%0.62157%0.574SS**Hα-helixtrans-81.2-16-173.4-163.9157.63.800114.7F66 L67 G68F66-Q70 WeakPolarHBondContact O-CB 3.23Å; F66-Q70 PolarHBondContact O-N 2.93Å; L67-Q70 PolarHBondContact O-N 3.06Å; G68-Q70 VanDerWaalsContact C-N 3.32Å
71M49.2Very low58.1Low173 Ų173108.2 Ų108.285%0.85256%0.564SS**Hα-helixtrans-126.7-25.8-179-143.472.8-17100117
72S53.2Low57.1Low84 Ų84110.6 Ų110.659%0.58757%0.568SS**SBendtrans-173138.7179.5-156.30000113G68G68-S72 PolarHBondContact O-N 3.41Å; G68-S72 VanDerWaalsContact O-O 3.1Å
73R53.9Low56.4Low161 Ų161111.5 Ų111.561%0.60857%0.57SS**  trans112.367.5150.8-51.1-136172.6-173.6-4.6117.9A75 F76R73-A75 PolarHBondContact O-N 3.23Å; R73-F76 HydrophobicContact CB-CB 4.08Å; R73-F76 VanDerWaalsContact NH1-CE2 3.28Å
74N52.6Low55.7Low146 Ų146109.4 Ų109.478%0.78156%0.562SS**THydrogen-bonded Turntrans-68.6-3.8156.6-160.626.8000114.1
75A54.4Low55.2Low75 Ų75105.2 Ų105.262%0.6255%0.55SS**THydrogen-bonded Turntrans-108.7-29.6-17600000114.9R73 Y79R73-A75 PolarHBondContact O-N 3.23Å; A75-Y79 WeakPolarHBondContact O-CB 3.47Å; A75-Y79 PolarHBondContact O-N 2.85Å; A75-Y79 VanDerWaalsContact O-N 3.15Å
76F54.4Low54.7Low106 Ų106102.7 Ų102.747%0.46555%0.552SS.*Hα-helixtrans-80.3-35.8-173.4-139.5-99.9000112.5R73 Y79 I80R73-F76 HydrophobicContact CB-CB 4.08Å; R73-F76 VanDerWaalsContact NH1-CE2 3.28Å; F76-Y79 PolarHBondContact O-N 2.73Å; F76-I80 HydrophobicContact CD1-CD1 3.74Å; F76-I80 HydrophobicContact CD1-CG1 4.33Å; F76-I80 HydrophobicContact CE1-CD1 3.85Å; F76-I80 HydrophobicContact CE1-CG1 4.48Å; F76-I80 WeakPolarHBondContact O-CG1 3.46Å; F76-I80 PolarHBondContact O-N 3.09Å
77S53.2Low54.9Low45 Ų45103.4 Ų103.432%0.31556%0.56SS.*Hα-helixtrans-68.1-39.4177.4-168.90000112L81 F97S77-L81 VanDerWaalsContact O-CB 3.22Å; S77-L81 WeakPolarHBondContact O-CB 3.46Å; S77-L81 PolarHBondContact O-N 2.88Å; S77-F97 VanDerWaalsContact OG-CE1 3.31Å; S77-F97 WeakPolarHBondContact OG-CE1 3.36Å; S77-F97 WeakPolarHBondContact OG-CZ 3.33Å
78V55.7Low55.1Low80 Ų80101 Ų10149%0.48556%0.564SS.*Hα-helixtrans-66.9-36.2172.3-179.40000111.3N82V78-N82 WeakPolarHBondContact O-CA 3.26Å; V78-N82 WeakPolarHBondContact O-CB 3.23Å; V78-N82 PolarHBondContact O-N 3.4Å
79Y51.2Low54.6Low148 Ų148105.4 Ų105.458%0.5857%0.572SS**Hα-helixtrans-66.8-45.2178.7-169.8-100.7000112.8A75 F76 L83A75-Y79 WeakPolarHBondContact O-CB 3.47Å; A75-Y79 PolarHBondContact O-N 2.85Å; A75-Y79 VanDerWaalsContact O-N 3.15Å; F76-Y79 PolarHBondContact O-N 2.73Å; Y79-L83 VanDerWaalsContact O-CB 3.25Å; Y79-L83 WeakPolarHBondContact O-CB 3.49Å; Y79-L83 PolarHBondContact O-N 2.79Å
80I58.6Low54.5Low97 Ų97105 Ų10550%0.49758%0.577SS.*Hα-helixtrans-70.5-37.7177.9-64176.5000111.1F76 L83 A84F76-I80 HydrophobicContact CD1-CD1 3.74Å; F76-I80 HydrophobicContact CD1-CG1 4.33Å; F76-I80 HydrophobicContact CE1-CD1 3.85Å; F76-I80 HydrophobicContact CE1-CG1 4.48Å; F76-I80 WeakPolarHBondContact O-CG1 3.46Å; F76-I80 PolarHBondContact O-N 3.09Å; I80-L83 PolarHBondContact O-N 3.1Å; I80-A84 WeakPolarHBondContact O-CB 3.33Å; I80-A84 PolarHBondContact O-N 3.14Å
81L54.4Low54.5Low71 Ų71102.2 Ų102.237%0.37258%0.584SS.*Hα-helixtrans-70-38175.4-169.467.6000112.3S77 L83 A84 G85 F97S77-L81 VanDerWaalsContact O-CB 3.22Å; S77-L81 WeakPolarHBondContact O-CB 3.46Å; S77-L81 PolarHBondContact O-N 2.88Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-A84 PolarHBondContact O-N 3.01Å; L81-G85 PolarHBondContact O-N 3.06Å; L81-F97 HydrophobicContact CD2-CB 3.69Å; L81-F97 HydrophobicContact CD2-CD1 4.14Å; L81-F97 HydrophobicContact CD2-CD2 4.26Å; L81-F97 HydrophobicContact CD2-CG 3.76Å
82N54.4Low54.7Low109 Ų109104.3 Ų104.358%0.58358%0.582SS**Hα-helixtrans-68.1-35.2174.3-172.752.1000111.3V78 G85 T86V78-N82 WeakPolarHBondContact O-CA 3.26Å; V78-N82 WeakPolarHBondContact O-CB 3.23Å; V78-N82 PolarHBondContact O-N 3.4Å; N82-G85 PolarHBondContact O-N 3.38Å; N82-T86 VanDerWaalsContact O-CG2 3.29Å; N82-T86 WeakPolarHBondContact O-CG2 3.35Å; N82-T86 PolarHBondContact O-N 3.08Å
83L57.3Low54.3Low95 Ų95105.1 Ų105.150%0.49758%0.579SS.*Hα-helixtrans-71.5-37.2173.7-164.370.5000112.1Y79 I80 L81 G85 T86Y79-L83 VanDerWaalsContact O-CB 3.25Å; Y79-L83 WeakPolarHBondContact O-CB 3.49Å; Y79-L83 PolarHBondContact O-N 2.79Å; I80-L83 PolarHBondContact O-N 3.1Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L83-G85 VanDerWaalsContact C-N 3.26Å; L83-G85 PolarHBondContact O-N 3.38Å; L83-T86 PolarHBondContact O-N 3.43Å; L83-T86 PolarHBondContact O-OG1 3.02Å; L83-T86 VanDerWaalsContact O-OG1 3.05Å
84A56.8Low54Low45 Ų45102 Ų10237%0.37258%0.582SS.*Hα-helixtrans-68.5-26171.100000112.6I80 L81 T86I80-A84 WeakPolarHBondContact O-CB 3.33Å; I80-A84 PolarHBondContact O-N 3.14Å; L81-A84 PolarHBondContact O-N 3.01Å; A84-T86 VanDerWaalsContact C-N 3.35Å
85G56.5Low53.9Low43 Ų4399.3 Ų99.344%0.44358%0.575SS.*Hα-helixtrans-72.5-21.5174.800000114.4L81 N82 L83L81-G85 PolarHBondContact O-N 3.06Å; N82-G85 PolarHBondContact O-N 3.38Å; L83-G85 VanDerWaalsContact C-N 3.26Å; L83-G85 PolarHBondContact O-N 3.38Å
86T53.1Low53.7Low99 Ų99104.6 Ų104.661%0.60759%0.585SS**Hα-helixtrans-80.3-21.5176.875.30000112.5N82 L83 A84N82-T86 VanDerWaalsContact O-CG2 3.29Å; N82-T86 WeakPolarHBondContact O-CG2 3.35Å; N82-T86 PolarHBondContact O-N 3.08Å; L83-T86 PolarHBondContact O-N 3.43Å; L83-T86 PolarHBondContact O-OG1 3.02Å; L83-T86 VanDerWaalsContact O-OG1 3.05Å; A84-T86 VanDerWaalsContact C-N 3.35Å
87I62.7Low53.5Low140 Ų140104 Ų10472%0.71858%0.582SS**SBendtrans-111.372.6178.8-53.4166.7000108.6
88G64.5Low53.1Low68 Ų68106.5 Ų106.570%0.70160%0.598SS**SBendtrans87.114.315200000119.3N90G88-N90 PolarHBondContact O-N 3.5Å
89F48.4Very low52.5Low133 Ų133112.9 Ų112.958%0.58361%0.614SS**  trans-87.890.1166.6-91.8-80.5000111.5G91 L93F89-G91 PolarHBondContact O-N 3.48Å; F89-L93 HydrophobicContact CD1-CD1 3.54Å; F89-L93 HydrophobicContact CE1-CD1 3.32Å; F89-L93 HydrophobicContact CZ-CD1 4.28Å
90N47Very low52.4Low154 Ų154113.5 Ų113.582%0.82462%0.622SS**  trans-49.3131.7158.4-88.1-73000109.4G88 R92G88-N90 PolarHBondContact O-N 3.5Å; N90-R92 PolarHBondContact O-N 2.88Å
91G52.9Low51.8Low75 Ų75114.6 Ų114.677%0.77364%0.635SS**SBendtrans-52.8102.7-165.500000114.6F89F89-G91 PolarHBondContact O-N 3.48Å
92R53.3Low51.2Low217 Ų217115.9 Ų115.982%0.81965%0.649SS**SBendtrans-161.97.7156.6-135175.5-95.1-128.80.9116.4N90N90-R92 PolarHBondContact O-N 2.88Å
93L45Very low50.7Low100 Ų100120.3 Ų120.352%0.52466%0.663SS.*SBendtrans-106.6-7.7174.2-92.1115000114.6F89 S95 F96F89-L93 HydrophobicContact CD1-CD1 3.54Å; F89-L93 HydrophobicContact CE1-CD1 3.32Å; F89-L93 HydrophobicContact CZ-CD1 4.28Å; L93-S95 PolarHBondContact O-N 3.32Å; L93-F96 PolarHBondContact O-N 3.22Å
94S47.4Very low50.1Low95 Ų95121.7 Ų121.766%0.66468%0.676SS**Hα-helixtrans-69.7-19.9176.5-160.30000112.9C98S94-C98 PolarHBondContact O-N 3.11Å
95S50.3Low49.7Very low91 Ų91126.4 Ų126.464%0.63669%0.694SS**Hα-helixtrans-77.7-16177.945.30000114.4L93L93-S95 PolarHBondContact O-N 3.32Å
96F49.8Very low49.3Very low186 Ų186133 Ų13382%0.81672%0.718SS**Hα-helixtrans-85.5-24.3175.7-105.1-87.7000113.1L93L93-F96 PolarHBondContact O-N 3.22Å
97F49.9Very low48.8Very low93 Ų93140 Ų14041%0.40873%0.733SS.*Hα-helixtrans-98.9-7.6-178.7-132.5-92.5000113.8W65 S77 L81 R99W65-F97 AromaticContact CH2-CE2 3.67Å; W65-F97 HydrophobicContact CH2-CE2 3.67Å; W65-F97 AromaticContact CH2-CZ 3.51Å; W65-F97 HydrophobicContact CH2-CZ 3.51Å; W65-F97 HydrophobicContact CZ2-CZ 4.26Å; W65-F97 HydrophobicContact CZ3-CZ 4.44Å; S77-F97 VanDerWaalsContact OG-CE1 3.31Å; S77-F97 WeakPolarHBondContact OG-CE1 3.36Å; S77-F97 WeakPolarHBondContact OG-CZ 3.33Å; L81-F97 HydrophobicContact CD2-CB 3.69Å; L81-F97 HydrophobicContact CD2-CD1 4.14Å; L81-F97 HydrophobicContact CD2-CD2 4.26Å; L81-F97 HydrophobicContact CD2-CG 3.76Å; F97-R99 VanDerWaalsContact C-N 3.25Å; F97-R99 PolarHBondContact O-N 3.04Å
98C46.4Very low47.9Very low97 Ų97144.6 Ų144.666%0.65574%0.741SS**  trans-89.357.7173.1-148.30000110.8S94S94-C98 PolarHBondContact O-N 3.11Å
99R43.1Very low47Very low215 Ų215151.1 Ų151.181%0.81175%0.75SS**  trans-109.782.9160.7-160.9167.5-176.1-176.40.2108.4F97F97-R99 VanDerWaalsContact C-N 3.25Å; F97-R99 PolarHBondContact O-N 3.04Å
100E47.6Very low46.5Very low161 Ų161152.8 Ų152.875%0.75277%0.765SS**SBendtrans89.2153156.2-52.2-171.3-173.300119.4
101P47.3Very low46.5Very low120 Ų120151 Ų15178%0.77976%0.76SS**  -133.1117.8-68.133.4-15.1000111.6
102C41.7Very low46.1Very low98 Ų98156 Ų15666%0.66276%0.763SS**  trans-152.755.6169.7-150.10000113.4
103K44.4Very low45.4Very low202 Ų202156.1 Ų156.188%0.87876%0.763SS**  trans-97.461166.4-73.9-174.1179.3176.40110.6
104T44.2Very low45Very low124 Ų124162.4 Ų162.476%0.76178%0.78SS**SBendtrans-137.2-14.8172.233.70000116.3
105L49.1Very low44.8Very low143 Ų143163.9 Ų163.975%0.74979%0.785SS**SBendtrans-104.6-12.5-168.6-69-166.2000118.2
106L47Very low44.4Very low181 Ų181164.5 Ų164.595%0.94879%0.787SS**THydrogen-bonded Turntrans-106.936.7-169.1-119.3126.9000115.2
107R43.3Very low43.9Very low247 Ų247163.4 Ų163.493%0.93278%0.784SS**THydrogen-bonded Turntrans-110.89.2168.5-126.2-97.8-86.8-122.4-2.6113.7
108R42.9Very low44.3Very low237 Ų237167 Ų16789%0.89480%0.802SS**SBendtrans-121.1-7.2-169.7-111.1-159.2-162-1647.7118.9
109K45Very low44.2Very low205 Ų205169.4 Ų169.489%0.89181%0.809SS**SBendtrans-121.35.1-170.8-85.3-155.9177.5-170.20118
110N39.6Very low45Very low167 Ų167166.6 Ų166.689%0.89381%0.809SS**SBendtrans-105.748.3-176.7-146.111.8000113.6
111V47Very low45.2Very low116 Ų116167.6 Ų167.670%0.70381%0.814SS**  trans-129.6-4.4178159.80000114.1
112E43.7Very low45.4Very low181 Ų181175 Ų17585%0.84683%0.834SS**SBendtrans-11774179.2-61.5-85138.200108.2
113R39.3Very low45.6Very low219 Ų219178.9 Ų178.983%0.82684%0.842SS**  71.794.588.3-169.7172.3-67.6176.7-0112.6
114W35.4Very low45.7Very low232 Ų232177.7 Ų177.788%0.87984%0.841SS**  trans-68.7136.7164-74.483.8000111.9
115V43.2Very low45.8Very low126 Ų126180.7 Ų180.776%0.76485%0.845SS**  trans-153.7119.1140.7177.30000108.3
116P42.2Very low45.6Very low104 Ų104182.9 Ų182.968%0.67585%0.851SS**  trans-105.5130.715731.7-19.4000109.6
117Q40.7Very low45.5Very low163 Ų163183 Ų18376%0.76285%0.845SS**  trans-133.7133.3168.1-159.1100.6-88.400109.3
118E57.7Low45.6Very low168 Ų168178.7 Ų178.779%0.78584%0.839SS**  trans-52.3140.6176.5-62.4159.189.400113.5
119D44.7Very low45.8Very low148 Ų148174.6 Ų174.679%0.79184%0.835SS**  trans-151.8102.7152-82.4-49.1000107.5
120L59.2Low45.9Very low157 Ų157172.2 Ų172.282%0.82283%0.831SS**  79.610287-105.1142.8000114.2K122L120-K122 PolarHBondContact O-N 3.22Å
121E52.7Low46.4Very low182 Ų182172.7 Ų172.785%0.8583%0.825SS**  trans-31.8113.6150.2-173.2-170.6128.200114
122K51.5Low46.4Very low276 Ų276177.8 Ų177.8100%1.284%0.836SS**  trans-171.40134.8-111.1-171.1-175.3-174.60112.5L120L120-K122 PolarHBondContact O-N 3.22Å

Retrieved 122 of 122 residues in 83 ms (Link to these results)