A0A077ZHJ4_TRITR Loading...

Splicing factor, arginine:serine rich 2

AlphaFold DB , UniProt , Accession A0A077ZHJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 137 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
1M47.6Very low47.5Very low250 Ų250134 Ų134100%1.23285%0.847SS**  0140.30-85.5135.2167.300108.6
2L49.2Very low47.2Very low176 Ų176130.8 Ų130.892%0.92183%0.832SS**  trans-76.2125.5-156.2-61.5152.9000113.1
3C57.8Low46.9Very low139 Ų139132.2 Ų132.294%0.93983%0.828SS**  trans-12399.3147.5-93.70000104.1
4G48.9Very low46.5Very low71 Ų71136.9 Ų136.973%0.73284%0.838SS**  107.48367.400000106.1G6G4-G6 PolarHBondContact O-N 3.17Å; G4-G6 VanDerWaalsContact O-N 3.17Å
5T55.3Low46.5Very low141 Ų141132.2 Ų132.287%0.86581%0.814SS**  trans-64105.7176.846.40000110
6G47.6Very low46Very low75 Ų75127.8 Ų127.877%0.77380%0.803SS**  trans-103.495.2169.600000109.8G4G4-G6 PolarHBondContact O-N 3.17Å; G4-G6 VanDerWaalsContact O-N 3.17Å
7L52.5Low45.7Very low155 Ų155125.3 Ų125.381%0.81281%0.807SS**  trans-51.9135.9177.1-80.6138.3000112.4V9L7-V9 PolarHBondContact O-N 3.29Å
8S36.1Very low45.5Very low102 Ų102129.7 Ų129.771%0.71381%0.805SS**  trans-51114.2168.146.30000112.5
9V41.3Very low45.5Very low132 Ų132126.5 Ų126.580%0.880%0.8SS**  trans-9985.1160-83.20000108.8L7 S11L7-V9 PolarHBondContact O-N 3.29Å; V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 2.68Å; V9-S11 VanDerWaalsContact O-N 3.08Å
10T46.5Very low45.9Very low116 Ų116126.5 Ų126.571%0.71280%0.798SS**  trans-73.689159.950.30000107.9S12T10-S12 PolarHBondContact O-N 3.08Å
11S39.6Very low46.3Very low117 Ų117125.2 Ų125.282%0.81879%0.791SS**  trans-7666.1165.3-57.20000109V9 L13V9-S11 VanDerWaalsContact C-N 3.28Å; V9-S11 PolarHBondContact O-N 2.68Å; V9-S11 VanDerWaalsContact O-N 3.08Å; S11-L13 PolarHBondContact O-N 3.36Å
12S43.7Very low46.6Very low95 Ų95118 Ų11866%0.66476%0.763SS**  trans-67.1119.3170.3-69.50000109.2T10 M14T10-S12 PolarHBondContact O-N 3.08Å; S12-M14 PolarHBondContact O-N 2.92Å
13L43.6Very low46.9Very low150 Ų150112.2 Ų112.279%0.78574%0.736SS**  trans26.691.6150.3-96.273.9000115.4S11 S15S11-L13 PolarHBondContact O-N 3.36Å; L13-S15 PolarHBondContact O-N 3.4Å
14M41.5Very low46.8Very low197 Ų197116 Ų11697%0.9773%0.73SS**  trans-74.476.9155.7-62.8-173.396.300107.8S12S12-M14 PolarHBondContact O-N 2.92Å
15S46.5Very low47.2Very low67 Ų67114.9 Ų114.947%0.46971%0.707SS.*  trans-50.8136.7171.1-67.60000109.2L13 G17L13-S15 PolarHBondContact O-N 3.4Å; S15-G17 PolarHBondContact O-N 3.27Å
16G38Very low47.4Very low62 Ų62116.8 Ų116.864%0.63971%0.706SS**  trans-42.2139.5177.100000112R18G16-R18 PolarHBondContact O-N 3.17Å
17G41.1Very low48.4Very low85 Ų85116.8 Ų116.888%0.87671%0.706SS**  trans-57.383174.800000110.3S15 G19S15-G17 PolarHBondContact O-N 3.27Å; G17-G19 PolarHBondContact O-N 3.18Å
18R42.9Very low49.7Very low205 Ų205111.3 Ų111.377%0.77468%0.677SS**  trans-55.1113156.3-58.4-177.6-146.2-174.36.1103G16 V20G16-R18 PolarHBondContact O-N 3.17Å; R18-V20 PolarHBondContact O-N 2.99Å
19G44.6Very low52Low68 Ų68107.5 Ų107.570%0.70165%0.649SS**  trans-45113.1172.600000106.6G17 P21G17-G19 PolarHBondContact O-N 3.18Å; G19-P21 VanDerWaalsContact O-CD 3.29Å; G19-P21 WeakPolarHBondContact O-CD 3.35Å
20V54.6Low54.2Low127 Ų127102 Ų10277%0.7762%0.616SS**  trans-51.7114-178.3177.80000104.3R18R18-V20 PolarHBondContact O-N 2.99Å
21P53.8Low56.3Low100 Ų10096.4 Ų96.465%0.64958%0.582SS**PPolyproline II helixtrans-53.8135.5-179.720.9-30.6000105.9G19 P23G19-P21 VanDerWaalsContact O-CD 3.29Å; G19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-P23 VanDerWaalsContact O-N 3.12Å
22P54.2Low58.7Low99 Ų9993.8 Ų93.864%0.64356%0.556SS**PPolyproline II helixtrans-50.3131-179.921.2-31.4000107R24P22-R24 PolarHBondContact O-N 2.79Å
23P54.9Low60.9Low53 Ų5389.2 Ų89.234%0.34452%0.524SS..PPolyproline II helixtrans-49.3142.4-179.916.5-28.2000108.5P21 I25 D57P21-P23 VanDerWaalsContact O-N 3.12Å; P23-I25 VanDerWaalsContact C-N 3.32Å; P23-I25 HydrophobicContact CB-CG2 4.28Å; P23-I25 HydrophobicContact CG-CG2 4.07Å; P23-I25 VanDerWaalsContact O-CB 3.31Å; P23-I25 WeakPolarHBondContact O-CB 3.39Å; P23-I25 WeakPolarHBondContact O-CG1 3.3Å; P23-I25 WeakPolarHBondContact O-CG2 3.18Å; P23-I25 PolarHBondContact O-N 3.18Å; P23-D57 HydrophobicContact CG-CB 4.23Å
24R54.7Low63Low220 Ų22084.7 Ų84.783%0.8350%0.501SS*.  trans-57.7100.4177.8-85.9-175.2178.2-133.82.5108.3P22 M28P22-R24 PolarHBondContact O-N 2.79Å; R24-M28 WeakPolarHBondContact O-CE 3.46Å
25I59.1Low65.2Low47 Ų4778.9 Ų78.924%0.24147%0.474CS..  trans-1081.7-168.445.5104.9000112.7P23 G27 M28 R76P23-I25 VanDerWaalsContact C-N 3.32Å; P23-I25 HydrophobicContact CB-CG2 4.28Å; P23-I25 HydrophobicContact CG-CG2 4.07Å; P23-I25 VanDerWaalsContact O-CB 3.31Å; P23-I25 WeakPolarHBondContact O-CB 3.39Å; P23-I25 WeakPolarHBondContact O-CG1 3.3Å; P23-I25 WeakPolarHBondContact O-CG2 3.18Å; P23-I25 PolarHBondContact O-N 3.18Å; I25-G27 PolarHBondContact O-N 3.06Å; I25-G27 VanDerWaalsContact O-N 3.09Å; I25-M28 HydrophobicContact CB-SD 4.15Å; I25-M28 HydrophobicContact CG2-CB 4.5Å; I25-M28 HydrophobicContact CG2-CE 4.46Å; I25-M28 HydrophobicContact CG2-CG 4.42Å; I25-M28 HydrophobicContact CG2-SD 3.36Å; I25-M28 WeakPolarHBondContact CG2-SD 3.47Å; I25-M28 PolarHBondContact O-N 2.74Å; I25-M28 VanDerWaalsContact O-N 3.1Å; I25-R76 VanDerWaalsContact CD1-NH1 3.35Å
26E59Low67.1Low181 Ų18176.2 Ų76.285%0.84645%0.454SS*.THydrogen-bonded Turntrans-63.3104.5166.2-67.5176.894.600108.4
27G68.6Low69.2Low75 Ų7573.7 Ų73.777%0.77343%0.427SS*.THydrogen-bonded Turntrans107-10.7-177.200000115.1I25I25-G27 PolarHBondContact O-N 3.06Å; I25-G27 VanDerWaalsContact O-N 3.09Å
28M78.9Confident71Confident40 Ų4072.6 Ų72.620%0.19741%0.405CS..PPolyproline II helixtrans-82.7141.1175.8-65.3178.9-176.400111.2R24 I25 F77R24-M28 WeakPolarHBondContact O-CE 3.46Å; I25-M28 HydrophobicContact CB-SD 4.15Å; I25-M28 HydrophobicContact CG2-CB 4.5Å; I25-M28 HydrophobicContact CG2-CE 4.46Å; I25-M28 HydrophobicContact CG2-CG 4.42Å; I25-M28 HydrophobicContact CG2-SD 3.36Å; I25-M28 WeakPolarHBondContact CG2-SD 3.47Å; I25-M28 PolarHBondContact O-N 2.74Å; I25-M28 VanDerWaalsContact O-N 3.1Å; M28-F77 WeakPolarHBondContact CA-O 2.96Å; M28-F77 WeakPolarHBondContact CB-O 3.46Å
29T85.6Confident72.8Confident22 Ų2272.4 Ų72.414%0.13541%0.405CS..EExtended strand (participates in β ladder)trans-91.3123.8176.7-59.90000109.8R76 F77 R80 A83T29-R76 WeakPolarHBondContact O-CA 3.5Å; T29-F77 PolarHBondContact N-O 2.82Å; T29-F77 PolarHBondContact O-N 2.92Å; T29-R80 HydrophobicContact CG2-CG 4.31Å; T29-R80 WeakPolarHBondContact OG1-CA 3.41Å; T29-R80 VanDerWaalsContact OG1-CB 3.23Å; T29-R80 WeakPolarHBondContact OG1-CB 3.43Å; T29-A83 HydrophobicContact CG2-CB 3.4Å; T29-A83 VanDerWaalsContact CG2-CB 3.4Å
30S86.8Confident74.5Confident15 Ų1569.3 Ų69.311%0.10537%0.372CS..EExtended strand (participates in β ladder)trans-102131.3-178.8-54.30000109.1R76 A105S30-R76 PolarHBondContact OG-NE 3.15Å; S30-R76 PolarHBondContact OG-NH2 2.83Å; S30-A105 WeakPolarHBondContact O-CB 3.27Å; S30-A105 PolarHBondContact O-N 2.7Å
31L90Very high75.9Confident0 Ų063.8 Ų63.80%034%0.341CS..EExtended strand (participates in β ladder)trans-107.8132.2174.1-64.7-177.2000108.9F74 V75 F77 A83 A86 M87 I102L31-F74 CarbonylContact O-C 3.46Å; L31-F74 VanDerWaalsContact O-CA 3.3Å; L31-F74 WeakPolarHBondContact O-CA 3.3Å; L31-V75 PolarHBondContact N-O 3.37Å; L31-V75 PolarHBondContact O-N 3.32Å; L31-F77 HydrophobicContact CD1-CD2 3.91Å; L31-F77 HydrophobicContact CD1-CE2 3.65Å; L31-F77 HydrophobicContact CG-CD2 4.28Å; L31-F77 HydrophobicContact CG-CE2 4.45Å; L31-A83 HydrophobicContact CD1-CB 4.12Å; L31-A83 WeakPolarHBondContact CD1-O 3.3Å; L31-A83 HydrophobicContact CD2-CB 4.05Å; L31-A83 HydrophobicContact CG-CB 4.01Å; L31-A86 HydrophobicContact CD1-CB 4.09Å; L31-M87 HydrophobicContact CD2-CB 4.24Å; L31-M87 HydrophobicContact CD2-CE 4.47Å; L31-M87 HydrophobicContact CD2-SD 4.4Å; L31-I102 HydrophobicContact CB-CG2 4.08Å; L31-I102 HydrophobicContact CD1-CG2 4.02Å; L31-I102 HydrophobicContact CD2-CG2 4.32Å; L31-I102 HydrophobicContact CG-CG2 4.38Å
32K90Very high77.4Confident61 Ų6161.9 Ų61.927%0.26533%0.328SS..EExtended strand (participates in β ladder)trans-94.6122168.3-179.9-173.8170.9-158.80107.5D34 A73 F74 I102 V103 A105K32-D34 WeakPolarHBondContact CE-OD2 3.42Å; K32-D34 IonicContact NZ-OD2 3.13Å; K32-D34 PolarHBondContact NZ-OD2 3.18Å; K32-A73 WeakPolarHBondContact CA-O 3.01Å; K32-F74 HydrophobicContact CB-CD1 3.97Å; K32-F74 HydrophobicContact CB-CE1 3.84Å; K32-F74 HydrophobicContact CD-CE1 4.13Å; K32-F74 HydrophobicContact CG-CD1 4.21Å; K32-F74 HydrophobicContact CG-CE1 3.78Å; K32-F74 HydrophobicContact CG-CZ 4.39Å; K32-I102 WeakPolarHBondContact O-CA 3.41Å; K32-V103 HydrophobicContact CB-CG2 3.87Å; K32-V103 HydrophobicContact CD-CG2 4.27Å; K32-V103 HydrophobicContact CG-CG2 4.4Å; K32-V103 PolarHBondContact N-O 2.72Å; K32-V103 PolarHBondContact O-N 3.29Å; K32-A105 HydrophobicContact CB-CB 4.11Å
33V89.9Confident79Confident0 Ų060.5 Ų60.50%033%0.325CS..EExtended strand (participates in β ladder)trans-102.9121.4173.9-170.10000107.3L36 L45 F49 F72 A73 V75 I100 H101 I102V33-L36 HydrophobicContact CB-CD1 3.86Å; V33-L36 HydrophobicContact CB-CG 4.42Å; V33-L36 HydrophobicContact CG1-CD1 3.69Å; V33-L36 HydrophobicContact CG1-CD2 3.86Å; V33-L36 HydrophobicContact CG1-CG 3.73Å; V33-L45 HydrophobicContact CG1-CD2 4.46Å; V33-F49 HydrophobicContact CG1-CZ 4.41Å; V33-F49 HydrophobicContact CG2-CE1 4.45Å; V33-F49 HydrophobicContact CG2-CE2 3.93Å; V33-F49 HydrophobicContact CG2-CZ 3.59Å; V33-F72 CarbonylContact O-C 3.44Å; V33-F72 WeakPolarHBondContact O-CA 3.36Å; V33-F72 VanDerWaalsContact O-CB 3.28Å; V33-F72 WeakPolarHBondContact O-CB 3.41Å; V33-A73 PolarHBondContact N-O 3.25Å; V33-A73 PolarHBondContact O-N 3.38Å; V33-V75 HydrophobicContact CG2-CG2 4.04Å; V33-I100 HydrophobicContact CG1-CB 4.21Å; V33-I100 HydrophobicContact CG1-CD1 4.27Å; V33-H101 CarbonylContact C-O 3.5Å; V33-H101 WeakPolarHBondContact CA-O 3.44Å; V33-I102 HydrophobicContact CG1-CG1 4.2Å; V33-I102 HydrophobicContact CG2-CG1 4.35Å
34D88.6Confident80.6Confident55 Ų5561.6 Ų61.629%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-115.8166.7-177.1-141.5-64.9000110.5K32 L36 G71 I100 H101K32-D34 WeakPolarHBondContact CE-OD2 3.42Å; K32-D34 IonicContact NZ-OD2 3.13Å; K32-D34 PolarHBondContact NZ-OD2 3.18Å; D34-L36 VanDerWaalsContact C-N 3.26Å; D34-L36 PolarHBondContact O-N 3.22Å; D34-G71 CarbonylContact C-O 3.29Å; D34-G71 VanDerWaalsContact C-O 3.29Å; D34-G71 WeakPolarHBondContact CA-O 3.31Å; D34-I100 WeakPolarHBondContact O-CA 3.48Å; D34-H101 HydrophobicContact CB-CB 4.3Å; D34-H101 PolarHBondContact N-O 3.4Å; D34-H101 PolarHBondContact O-N 3.18Å
35N88Confident82.3Confident75 Ų7551.1 Ų51.140%0.40129%0.289SS..SBendtrans52.535.7-172.6-161.734.6000115.4G71 Q99N35-G71 CarbonylContact C-O 3.58Å; N35-G71 WeakPolarHBondContact CA-O 3.23Å; N35-G71 PolarHBondContact N-O 3.32Å; N35-Q99 WeakPolarHBondContact CB-O 3.38Å; N35-Q99 PolarHBondContact ND2-O 2.73Å
36L86.1Confident83.7Confident11 Ų1155.2 Ų55.26%0.05830%0.301CS..  trans-73.5143.7173.6-76.4166.3000112.1V33 D34 T40 L45 G71 A73 L95 I100V33-L36 HydrophobicContact CB-CD1 3.86Å; V33-L36 HydrophobicContact CB-CG 4.42Å; V33-L36 HydrophobicContact CG1-CD1 3.69Å; V33-L36 HydrophobicContact CG1-CD2 3.86Å; V33-L36 HydrophobicContact CG1-CG 3.73Å; D34-L36 VanDerWaalsContact C-N 3.26Å; D34-L36 PolarHBondContact O-N 3.22Å; L36-T40 HydrophobicContact CD2-CG2 4.03Å; L36-L45 HydrophobicContact CD1-CD1 4.08Å; L36-L45 HydrophobicContact CD1-CD2 4Å; L36-L45 HydrophobicContact CD2-CD2 3.76Å; L36-G71 PolarHBondContact N-O 3.1Å; L36-A73 HydrophobicContact CD1-CB 3.43Å; L36-A73 VanDerWaalsContact CD1-CB 3.43Å; L36-L95 HydrophobicContact CD2-CD2 3.72Å; L36-I100 HydrophobicContact CD2-CG2 3.72Å; L36-I100 HydrophobicContact CG-CG2 4.37Å
37S82.3Confident85.2Confident9 Ų954.5 Ų54.56%0.06330%0.295CS..  trans-67143.9170.1-167.90000110.2R39 T40S37-R39 PolarHBondContact O-N 3.46Å; S37-T40 WeakPolarHBondContact O-CB 3.15Å; S37-T40 PolarHBondContact O-N 3.36Å
38S78.2Confident86.2Confident61 Ų6151.6 Ų51.643%0.42726%0.264SS..THydrogen-bonded Turntrans-60.1-19174.549.10000113.2
39R80.6Confident86.7Confident202 Ų20249.7 Ų49.776%0.76225%0.254SS*.THydrogen-bonded Turntrans-75.2-29.6175.1-54.2-176.2162.6-149.5-8.4113.4S37 G41S37-R39 PolarHBondContact O-N 3.46Å; R39-G41 PolarHBondContact O-N 3.35Å
40T80.7Confident86.9Confident3 Ų353.1 Ų53.12%0.01827%0.269CS..  trans-74.6114.1-173.4-52.20000109.7L36 S37 D44 L45 L95L36-T40 HydrophobicContact CD2-CG2 4.03Å; S37-T40 WeakPolarHBondContact O-CB 3.15Å; S37-T40 PolarHBondContact O-N 3.36Å; T40-D44 HydrophobicContact CG2-CB 3.74Å; T40-L45 HydrophobicContact CG2-CD2 4.24Å; T40-L45 HydrophobicContact CG2-CG 4.21Å; T40-L95 HydrophobicContact CG2-CD2 3.64Å
41G83.4Confident87.1Confident10 Ų1058.8 Ų58.810%0.10329%0.292CS..  trans-89.3176.8179.800000113.5R39 A43 D44 L45R39-G41 PolarHBondContact O-N 3.35Å; G41-A43 PolarHBondContact O-N 2.81Å; G41-D44 PolarHBondContact N-OD2 2.84Å; G41-D44 PolarHBondContact O-N 3.1Å; G41-L45 WeakPolarHBondContact O-CG 2.94Å; G41-L45 PolarHBondContact O-N 2.9Å; G41-L45 VanDerWaalsContact O-N 3.15Å
42P86.6Confident87.1Confident60 Ų6059.8 Ų59.839%0.3930%0.296SS..Hα-helixtrans-64.4-30.1172.628-33.3000111.5R46 I58 I60P42-R46 WeakPolarHBondContact O-CB 3.1Å; P42-R46 PolarHBondContact O-N 3.37Å; P42-I58 HydrophobicContact CB-CB 4.37Å; P42-I58 HydrophobicContact CB-CG2 3.86Å; P42-I58 WeakPolarHBondContact O-CD1 3.36Å; P42-I60 HydrophobicContact CB-CD1 4.02Å; P42-I60 HydrophobicContact CB-CG1 4.46Å; P42-I60 HydrophobicContact CG-CD1 4.42Å
43A87.8Confident87Confident70 Ų7057.6 Ų57.658%0.57929%0.291SS*.Hα-helixtrans-64.9-43175.900000112.1G41 R46 K47G41-A43 PolarHBondContact O-N 2.81Å; A43-R46 WeakPolarHBondContact O-CB 3.29Å; A43-R46 PolarHBondContact O-N 3.4Å; A43-K47 PolarHBondContact O-N 3.03Å
44D88.4Confident87Confident76 Ų7664 Ų6441%0.40632%0.32SS..Hα-helixtrans-66.4-43.4177.8-58-66.9000111.5T40 G41 R46 K47 A48T40-D44 HydrophobicContact CG2-CB 3.74Å; G41-D44 PolarHBondContact N-OD2 2.84Å; G41-D44 PolarHBondContact O-N 3.1Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 2.76Å; D44-K47 PolarHBondContact O-N 3.42Å; D44-A48 VanDerWaalsContact O-CB 3.28Å; D44-A48 WeakPolarHBondContact O-CB 3.28Å; D44-A48 PolarHBondContact O-N 3.28Å
45L89Confident87Confident0 Ų062.6 Ų62.60%031%0.313CS..Hα-helixtrans-58.6-48.4172.2-68.3174.5000110.1V33 L36 T40 G41 K47 A48 F49 I58 I60 A73 V75 L95V33-L45 HydrophobicContact CG1-CD2 4.46Å; L36-L45 HydrophobicContact CD1-CD1 4.08Å; L36-L45 HydrophobicContact CD1-CD2 4Å; L36-L45 HydrophobicContact CD2-CD2 3.76Å; T40-L45 HydrophobicContact CG2-CD2 4.24Å; T40-L45 HydrophobicContact CG2-CG 4.21Å; G41-L45 WeakPolarHBondContact O-CG 2.94Å; G41-L45 PolarHBondContact O-N 2.9Å; G41-L45 VanDerWaalsContact O-N 3.15Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.96Å; L45-A48 PolarHBondContact O-N 3.38Å; L45-A48 VanDerWaalsContact O-N 3.14Å; L45-F49 HydrophobicContact CB-CD2 4.27Å; L45-F49 HydrophobicContact CD2-CD2 4.18Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å; L45-F49 VanDerWaalsContact O-CB 3.3Å; L45-F49 WeakPolarHBondContact O-CB 3.13Å; L45-F49 WeakPolarHBondContact O-CD2 3.31Å; L45-F49 PolarHBondContact O-N 3.46Å; L45-I58 HydrophobicContact CB-CD1 4.37Å; L45-I58 HydrophobicContact CB-CG2 4.48Å; L45-I58 HydrophobicContact CD1-CG2 4.11Å; L45-I60 HydrophobicContact CD1-CD1 3.8Å; L45-I60 HydrophobicContact CD1-CG1 4.24Å; L45-A73 HydrophobicContact CD1-CB 3.4Å; L45-A73 VanDerWaalsContact CD1-CB 3.4Å; L45-V75 HydrophobicContact CB-CG2 4.48Å; L45-V75 HydrophobicContact CD1-CG2 4.45Å; L45-L95 HydrophobicContact CD2-CD2 4.37Å
46R90.3Very high86.9Confident134 Ų13460.5 Ų60.551%0.50631%0.309SS..Hα-helixtrans-53.9-50.7178.5-164.1-179-177.4-81.23.7111.2P42 A43 D44 A48 F49 E50 I55 I58P42-R46 WeakPolarHBondContact O-CB 3.1Å; P42-R46 PolarHBondContact O-N 3.37Å; A43-R46 WeakPolarHBondContact O-CB 3.29Å; A43-R46 PolarHBondContact O-N 3.4Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 2.76Å; R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 3.14Å; R46-F49 PolarHBondContact O-N 3.09Å; R46-E50 IonicContact NH1-OE1 3.81Å; R46-E50 PolarHBondContact NH1-OE1 2.87Å; R46-E50 WeakPolarHBondContact O-CB 3.45Å; R46-E50 VanDerWaalsContact O-CG 3.3Å; R46-E50 WeakPolarHBondContact O-CG 3.42Å; R46-E50 PolarHBondContact O-N 2.89Å; R46-I55 HydrophobicContact CB-CD1 4.39Å; R46-I55 HydrophobicContact CG-CD1 3.95Å; R46-I55 WeakPolarHBondContact O-CD1 3.43Å; R46-I58 HydrophobicContact CB-CD1 3.55Å; R46-I58 HydrophobicContact CG-CD1 4.07Å
47K90.5Very high86.8Confident166 Ų16661.9 Ų61.972%0.72232%0.317SS*.Hα-helixtrans-64.3-35.8-179.1-142175.2-171.1-178.70113A43 D44 L45 E50A43-K47 PolarHBondContact O-N 3.03Å; D44-K47 PolarHBondContact O-N 3.42Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.96Å; K47-E50 WeakPolarHBondContact CA-OE1 3.35Å
48A88.3Confident87Confident13 Ų1363 Ų6311%0.10732%0.322CS..Hα-helixtrans-73.6-35.4178.200000112.6D44 L45 R46 K51 F52 M90 L95D44-A48 VanDerWaalsContact O-CB 3.28Å; D44-A48 WeakPolarHBondContact O-CB 3.28Å; D44-A48 PolarHBondContact O-N 3.28Å; L45-A48 PolarHBondContact O-N 3.38Å; L45-A48 VanDerWaalsContact O-N 3.14Å; R46-A48 VanDerWaalsContact C-N 3.32Å; R46-A48 PolarHBondContact O-N 3.14Å; A48-K51 WeakPolarHBondContact O-CE 3.19Å; A48-F52 WeakPolarHBondContact O-CE2 3.27Å; A48-M90 HydrophobicContact CB-CE 3.98Å; A48-L95 HydrophobicContact CB-CD1 4.41Å
49F89.1Confident87.3Confident0 Ų062.1 Ų62.10%031%0.311CS..Hα-helixtrans-95.8-25.8-172.8-78.8-82.7000113.7V33 L45 R46 K51 F52 I55 V75 F77 A86 M90 I102V33-F49 HydrophobicContact CG1-CZ 4.41Å; V33-F49 HydrophobicContact CG2-CE1 4.45Å; V33-F49 HydrophobicContact CG2-CE2 3.93Å; V33-F49 HydrophobicContact CG2-CZ 3.59Å; L45-F49 HydrophobicContact CB-CD2 4.27Å; L45-F49 HydrophobicContact CD2-CD2 4.18Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å; L45-F49 VanDerWaalsContact O-CB 3.3Å; L45-F49 WeakPolarHBondContact O-CB 3.13Å; L45-F49 WeakPolarHBondContact O-CD2 3.31Å; L45-F49 PolarHBondContact O-N 3.46Å; R46-F49 PolarHBondContact O-N 3.09Å; F49-K51 PolarHBondContact O-N 3.31Å; F49-F52 PolarHBondContact O-N 3.35Å; F49-I55 HydrophobicContact CB-CD1 3.58Å; F49-I55 HydrophobicContact CB-CG1 4.33Å; F49-V75 HydrophobicContact CB-CG1 4.36Å; F49-V75 HydrophobicContact CD2-CG2 4.31Å; F49-V75 HydrophobicContact CE2-CG2 4.46Å; F49-V75 HydrophobicContact CG-CG1 4.38Å; F49-F77 HydrophobicContact CB-CZ 3.96Å; F49-F77 HydrophobicContact CD1-CE2 4.08Å; F49-F77 AromaticContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CG-CZ 4.44Å; F49-A86 HydrophobicContact CD1-CB 4.04Å; F49-A86 HydrophobicContact CE1-CB 4.33Å; F49-M90 HydrophobicContact CE1-CB 4.4Å; F49-I102 HydrophobicContact CE1-CD1 3.68Å; F49-I102 HydrophobicContact CZ-CD1 3.5Å; F49-I102 HydrophobicContact CZ-CG1 4.26Å
50E90.2Very high87.5Confident94 Ų9453.6 Ų53.644%0.43928%0.28SS..G310 helixtrans-62.8-27.8-175.867.6-179.985.900112.9R46 K47 F52 G53 I55R46-E50 IonicContact NH1-OE1 3.81Å; R46-E50 PolarHBondContact NH1-OE1 2.87Å; R46-E50 WeakPolarHBondContact O-CB 3.45Å; R46-E50 VanDerWaalsContact O-CG 3.3Å; R46-E50 WeakPolarHBondContact O-CG 3.42Å; R46-E50 PolarHBondContact O-N 2.89Å; K47-E50 WeakPolarHBondContact CA-OE1 3.35Å; E50-F52 PolarHBondContact O-N 3.26Å; E50-F52 VanDerWaalsContact O-N 3.17Å; E50-G53 WeakPolarHBondContact CA-O 3.37Å; E50-G53 PolarHBondContact O-N 3.5Å; E50-I55 HydrophobicContact CB-CD1 4.22Å
51K91.3Very high87.1Confident134 Ų13454.9 Ų54.958%0.58329%0.288SS*.G310 helixtrans-64.4-17.5175.171.6-168.5-179.5-160.10113.9A48 F49A48-K51 WeakPolarHBondContact O-CE 3.19Å; F49-K51 PolarHBondContact O-N 3.31Å
52F89.9Confident86.6Confident22 Ų2260.5 Ų60.510%0.09631%0.307CS..G310 helixtrans-97-20.6177.1-56.2-74.1000112.6A48 F49 E50 D82 R85 A86 K89 M90A48-F52 WeakPolarHBondContact O-CE2 3.27Å; F49-F52 PolarHBondContact O-N 3.35Å; E50-F52 PolarHBondContact O-N 3.26Å; E50-F52 VanDerWaalsContact O-N 3.17Å; F52-D82 WeakPolarHBondContact O-CB 3.3Å; F52-R85 VanDerWaalsContact C-NH2 3.32Å; F52-R85 PolarHBondContact O-NH1 3.17Å; F52-R85 PolarHBondContact O-NH2 3.43Å; F52-A86 HydrophobicContact CB-CB 3.67Å; F52-A86 HydrophobicContact CD2-CB 3.88Å; F52-A86 HydrophobicContact CG-CB 3.82Å; F52-K89 HydrophobicContact CD1-CB 4.32Å; F52-K89 HydrophobicContact CE1-CB 3.45Å; F52-K89 VanDerWaalsContact CE1-CB 3.45Å; F52-K89 HydrophobicContact CE1-CD 4.49Å; F52-K89 HydrophobicContact CE1-CG 3.88Å; F52-K89 HydrophobicContact CZ-CB 3.77Å; F52-M90 HydrophobicContact CD2-CG 4.2Å; F52-M90 HydrophobicContact CE2-CG 3.19Å; F52-M90 HydrophobicContact CE2-SD 3.79Å; F52-M90 HydrophobicContact CZ-CG 3.47Å; F52-M90 VanDerWaalsContact CZ-CG 3.47Å; F52-M90 HydrophobicContact CZ-SD 3.97Å
53G88.8Confident85.6Confident15 Ų1559.6 Ų59.616%0.15530%0.299CS..SBendtrans164.6179.3177.600000112.5E50 I55E50-G53 WeakPolarHBondContact CA-O 3.37Å; E50-G53 PolarHBondContact O-N 3.5Å; G53-I55 PolarHBondContact O-N 2.86Å
54E89.1Confident84.3Confident133 Ų13365 Ų6562%0.62130%0.304SS*.  trans-74.2122.3-177.1-166.2169.684.100111.3H78E54-H78 PolarHBondContact O-N 2.85Å; E54-H78 IonicContact OE1-CD2 3.1Å; E54-H78 IonicContact OE1-CG 3.8Å; E54-H78 IonicContact OE1-NE2 3.76Å
55I88.7Confident82.8Confident26 Ų2671.3 Ų71.313%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-91.3121.4178.3-57.7169.9000108.5R46 F49 E50 G53 I58 V75 R76 F77R46-I55 HydrophobicContact CB-CD1 4.39Å; R46-I55 HydrophobicContact CG-CD1 3.95Å; R46-I55 WeakPolarHBondContact O-CD1 3.43Å; F49-I55 HydrophobicContact CB-CD1 3.58Å; F49-I55 HydrophobicContact CB-CG1 4.33Å; E50-I55 HydrophobicContact CB-CD1 4.22Å; G53-I55 PolarHBondContact O-N 2.86Å; I55-I58 HydrophobicContact CD1-CD1 4.39Å; I55-I58 HydrophobicContact CG2-CD1 4Å; I55-I58 HydrophobicContact CG2-CG1 3.59Å; I55-V75 HydrophobicContact CD1-CG1 4.36Å; I55-V75 HydrophobicContact CG1-CG1 4.27Å; I55-V75 HydrophobicContact CG2-CG1 3.89Å; I55-R76 CarbonylContact C-O 3.54Å; I55-R76 WeakPolarHBondContact CA-O 3.27Å; I55-F77 HydrophobicContact CG1-CE1 4.17Å; I55-F77 HydrophobicContact CG1-CZ 4.23Å
56G85.5Confident81.6Confident32 Ų3275.8 Ų75.833%0.3335%0.349SS..EExtended strand (participates in β ladder)trans-84.9-41.1177.400000113.4R76 H78G56-R76 PolarHBondContact N-O 2.88Å; G56-H78 VanDerWaalsContact CA-NE2 3.31Å; G56-H78 WeakPolarHBondContact CA-NE2 3.35Å
57D85.1Confident80Confident39 Ų3980.1 Ų80.121%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-152.2148.2-179.6-171.1-126.9000111.6P23 R76 R109P23-D57 HydrophobicContact CG-CB 4.23Å; D57-R76 HydrophobicContact CB-CB 4.24Å; D57-R76 HydrophobicContact CB-CG 4.13Å; D57-R76 PolarHBondContact O-N 3.42Å; D57-R109 IonicContact OD1-NH2 2.83Å
58I86.6Confident78.4Confident34 Ų3476.7 Ų76.717%0.17436%0.355CS..EExtended strand (participates in β ladder)trans-128.8122.5172.9-56.2176.5000108.4P42 L45 R46 I55 I60 F74 V75P42-I58 HydrophobicContact CB-CB 4.37Å; P42-I58 HydrophobicContact CB-CG2 3.86Å; P42-I58 WeakPolarHBondContact O-CD1 3.36Å; L45-I58 HydrophobicContact CB-CD1 4.37Å; L45-I58 HydrophobicContact CB-CG2 4.48Å; L45-I58 HydrophobicContact CD1-CG2 4.11Å; R46-I58 HydrophobicContact CB-CD1 3.55Å; R46-I58 HydrophobicContact CG-CD1 4.07Å; I55-I58 HydrophobicContact CD1-CD1 4.39Å; I55-I58 HydrophobicContact CG2-CD1 4Å; I55-I58 HydrophobicContact CG2-CG1 3.59Å; I58-I60 HydrophobicContact CG2-CG1 4.31Å; I58-F74 CarbonylContact C-O 3.55Å; I58-F74 WeakPolarHBondContact CA-O 3.34Å; I58-V75 HydrophobicContact CG1-CG1 4.41Å; I58-V75 HydrophobicContact CG2-CG2 4.42Å
59H83.2Confident77Confident41 Ų4176.7 Ų76.719%0.1936%0.355CS..EExtended strand (participates in β ladder)trans-123.1119.9178.8-177.162.6000110.9P61 F74 R109H59-P61 WeakPolarHBondContact O-CD 3.41Å; H59-F74 HydrophobicContact CB-CB 4.4Å; H59-F74 PolarHBondContact N-O 2.91Å; H59-F74 PolarHBondContact O-N 3.36Å; H59-R109 VanDerWaalsContact ND1-CZ 3.28Å; H59-R109 PolarHBondContact ND1-NH2 3.29Å
60I84.1Confident76.1Confident23 Ų2384 Ų8412%0.11838%0.382CS..  trans-113.5101.6175.6-48.5-171.6000108P42 L45 I58 R62 A73P42-I60 HydrophobicContact CB-CD1 4.02Å; P42-I60 HydrophobicContact CB-CG1 4.46Å; P42-I60 HydrophobicContact CG-CD1 4.42Å; L45-I60 HydrophobicContact CD1-CD1 3.8Å; L45-I60 HydrophobicContact CD1-CG1 4.24Å; I58-I60 HydrophobicContact CG2-CG1 4.31Å; I60-R62 HydrophobicContact CG2-CG 4.03Å; I60-R62 PolarHBondContact O-N 3.32Å; I60-R62 VanDerWaalsContact O-N 3.13Å; I60-A73 HydrophobicContact CB-CB 4.42Å; I60-A73 HydrophobicContact CD1-CB 4.33Å; I60-A73 HydrophobicContact CG1-CB 3.79Å; I60-A73 HydrophobicContact CG2-CB 4.36Å
61P74Confident75.6Confident30 Ų3080.2 Ų80.220%0.19537%0.368CS..  trans-68.5112.317225.3-28.9000109H59 F72 F74H59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-F72 HydrophobicContact CB-CE2 4.4Å; P61-F72 HydrophobicContact CG-CD2 3.8Å; P61-F72 HydrophobicContact CG-CE2 3.26Å; P61-F72 HydrophobicContact CG-CZ 3.92Å; P61-F74 HydrophobicContact CG-CD2 4.35Å; P61-F74 HydrophobicContact CG-CE2 4.04Å
62R73Confident75.4Confident129 Ų12975.9 Ų75.949%0.48735%0.35SS..BIsolated β-bridgetrans-105.1138.8176.9-64.6176178.7-178.2-4.6108.6I60 R64I60-R62 HydrophobicContact CG2-CG 4.03Å; I60-R62 PolarHBondContact O-N 3.32Å; I60-R62 VanDerWaalsContact O-N 3.13Å; R62-R64 PolarHBondContact O-N 2.86Å
63D65.7Low75.3Confident41 Ų4174.8 Ų74.822%0.21935%0.345CS..  trans-74.3126.8176.5-148.6-74.1000109.8W65 R67 D68 R70D63-W65 VanDerWaalsContact C-N 3.27Å; D63-W65 PolarHBondContact O-N 3.18Å; D63-W65 PolarHBondContact OD1-N 2.92Å; D63-R67 VanDerWaalsContact O-CA 3.24Å; D63-R67 WeakPolarHBondContact O-CA 3.32Å; D63-R67 PolarHBondContact O-N 2.81Å; D63-D68 PolarHBondContact N-O 3.39Å; D63-R70 IonicContact OD2-CZ 3.39Å; D63-R70 IonicContact OD2-NE 3.52Å; D63-R70 PolarHBondContact OD2-NE 2.86Å; D63-R70 VanDerWaalsContact OD2-NE 3.13Å; D63-R70 IonicContact OD2-NH2 2.77Å; D63-R70 PolarHBondContact OD2-NH2 3.12Å
64R59.4Low75.3Confident184 Ų18476 Ų7669%0.69435%0.346SS*.THydrogen-bonded Turntrans-65.1-33.5-173.6172-179.9-167.2-147.13.7112R62R62-R64 PolarHBondContact O-N 2.86Å
65W57.7Low75.3Confident208 Ų20869.6 Ų69.679%0.78832%0.316SS*.THydrogen-bonded Turntrans-84.9-46.6-171-95.4-85.7000112.4D63D63-W65 VanDerWaalsContact C-N 3.27Å; D63-W65 PolarHBondContact O-N 3.18Å; D63-W65 PolarHBondContact OD1-N 2.92Å
66T62.8Low75.3Confident93 Ų9369.2 Ų69.257%0.57131%0.313SS*.THydrogen-bonded Turntrans-88.4-13.8-178.459.40000112.5D68T66-D68 PolarHBondContact O-N 2.79Å; T66-D68 WeakPolarHBondContact OG1-CB 3.38Å; T66-D68 PolarHBondContact OG1-N 2.76Å
67R56.3Low75.5Confident225 Ų22567.7 Ų67.785%0.84930%0.297SS*.  trans52.98.5-163.1-79-176.5-179.6-178.91.3113.7D63 S69D63-R67 VanDerWaalsContact O-CA 3.24Å; D63-R67 WeakPolarHBondContact O-CA 3.32Å; D63-R67 PolarHBondContact O-N 2.81Å; R67-S69 PolarHBondContact O-N 3.07Å
68D56.6Low75.6Confident94 Ų9470.2 Ų70.250%0.50331%0.308SS..  trans-77.2123179-124.3-80.9000107.7D63 T66 R70D63-D68 PolarHBondContact N-O 3.39Å; T66-D68 PolarHBondContact O-N 2.79Å; T66-D68 WeakPolarHBondContact OG1-CB 3.38Å; T66-D68 PolarHBondContact OG1-N 2.76Å; D68-R70 PolarHBondContact O-N 2.97Å
69S60.3Low75.6Confident13 Ų1370.9 Ų70.99%0.09132%0.315CS..BIsolated β-bridgetrans-58.7129.1166.5-67.10000106.2R67 G71R67-S69 PolarHBondContact O-N 3.07Å; S69-G71 PolarHBondContact O-N 2.65Å
70R69.8Low75.8Confident153 Ų15376.7 Ų76.758%0.57734%0.336SS*.  trans-6513.5-179.6-65.5-173.4166.7-165.6-4.2113.9D63 D68 F72D63-R70 IonicContact OD2-CZ 3.39Å; D63-R70 IonicContact OD2-NE 3.52Å; D63-R70 PolarHBondContact OD2-NE 2.86Å; D63-R70 VanDerWaalsContact OD2-NE 3.13Å; D63-R70 IonicContact OD2-NH2 2.77Å; D63-R70 PolarHBondContact OD2-NH2 3.12Å; D68-R70 PolarHBondContact O-N 2.97Å; R70-F72 HydrophobicContact CB-CD1 3.6Å; R70-F72 HydrophobicContact CB-CE1 3.25Å; R70-F72 HydrophobicContact CB-CZ 4.06Å; R70-F72 HydrophobicContact CG-CE1 4.14Å; R70-F72 VanDerWaalsContact O-CD1 3.27Å; R70-F72 WeakPolarHBondContact O-CD1 3.49Å; R70-F72 PolarHBondContact O-N 3.05Å
71G80.6Confident76.1Confident15 Ų1584.7 Ų84.716%0.15536%0.364CS..SBendtrans74.57.8-173.500000113.5D34 N35 L36 S69D34-G71 CarbonylContact C-O 3.29Å; D34-G71 VanDerWaalsContact C-O 3.29Å; D34-G71 WeakPolarHBondContact CA-O 3.31Å; N35-G71 CarbonylContact C-O 3.58Å; N35-G71 WeakPolarHBondContact CA-O 3.23Å; N35-G71 PolarHBondContact N-O 3.32Å; L36-G71 PolarHBondContact N-O 3.1Å; S69-G71 PolarHBondContact O-N 2.65Å
72F86.2Confident76.9Confident43 Ų4385 Ų8519%0.18937%0.365CS..  trans-138.3153.9-18068.1-92.6000114.8V33 P61 R70 F74V33-F72 CarbonylContact O-C 3.44Å; V33-F72 WeakPolarHBondContact O-CA 3.36Å; V33-F72 VanDerWaalsContact O-CB 3.28Å; V33-F72 WeakPolarHBondContact O-CB 3.41Å; P61-F72 HydrophobicContact CB-CE2 4.4Å; P61-F72 HydrophobicContact CG-CD2 3.8Å; P61-F72 HydrophobicContact CG-CE2 3.26Å; P61-F72 HydrophobicContact CG-CZ 3.92Å; R70-F72 HydrophobicContact CB-CD1 3.6Å; R70-F72 HydrophobicContact CB-CE1 3.25Å; R70-F72 HydrophobicContact CB-CZ 4.06Å; R70-F72 HydrophobicContact CG-CE1 4.14Å; R70-F72 VanDerWaalsContact O-CD1 3.27Å; R70-F72 WeakPolarHBondContact O-CD1 3.49Å; R70-F72 PolarHBondContact O-N 3.05Å; F72-F74 AromaticContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CZ 4.14Å; F72-F74 AromaticContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CZ 4.08Å
73A88.2Confident77.7Confident0 Ų078.9 Ų78.90%034%0.341CS..EExtended strand (participates in β ladder)trans-141.8159.7178.300000110.5K32 V33 L36 L45 I60K32-A73 WeakPolarHBondContact CA-O 3.01Å; V33-A73 PolarHBondContact N-O 3.25Å; V33-A73 PolarHBondContact O-N 3.38Å; L36-A73 HydrophobicContact CD1-CB 3.43Å; L36-A73 VanDerWaalsContact CD1-CB 3.43Å; L45-A73 HydrophobicContact CD1-CB 3.4Å; L45-A73 VanDerWaalsContact CD1-CB 3.4Å; I60-A73 HydrophobicContact CB-CB 4.42Å; I60-A73 HydrophobicContact CD1-CB 4.33Å; I60-A73 HydrophobicContact CG1-CB 3.79Å; I60-A73 HydrophobicContact CG2-CB 4.36Å
74F88.1Confident78.9Confident39 Ų3981 Ų8117%0.17135%0.35CS..EExtended strand (participates in β ladder)trans-116128.6173.8-61.2-82.5000109.6L31 K32 I58 H59 P61 F72 A105L31-F74 CarbonylContact O-C 3.46Å; L31-F74 VanDerWaalsContact O-CA 3.3Å; L31-F74 WeakPolarHBondContact O-CA 3.3Å; K32-F74 HydrophobicContact CB-CD1 3.97Å; K32-F74 HydrophobicContact CB-CE1 3.84Å; K32-F74 HydrophobicContact CD-CE1 4.13Å; K32-F74 HydrophobicContact CG-CD1 4.21Å; K32-F74 HydrophobicContact CG-CE1 3.78Å; K32-F74 HydrophobicContact CG-CZ 4.39Å; I58-F74 CarbonylContact C-O 3.55Å; I58-F74 WeakPolarHBondContact CA-O 3.34Å; H59-F74 HydrophobicContact CB-CB 4.4Å; H59-F74 PolarHBondContact N-O 2.91Å; H59-F74 PolarHBondContact O-N 3.36Å; P61-F74 HydrophobicContact CG-CD2 4.35Å; P61-F74 HydrophobicContact CG-CE2 4.04Å; F72-F74 AromaticContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CE2 3.88Å; F72-F74 HydrophobicContact CD2-CZ 4.14Å; F72-F74 AromaticContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CE2 3.75Å; F72-F74 HydrophobicContact CE2-CZ 4.08Å; F74-A105 HydrophobicContact CD1-CB 4.04Å; F74-A105 HydrophobicContact CE1-CB 4.24Å
75V89.5Confident80.5Confident0 Ų077.6 Ų77.60%034%0.337CS..EExtended strand (participates in β ladder)trans-120124.1177.1-178.50000107.8L31 V33 L45 F49 I55 I58 F77L31-V75 PolarHBondContact N-O 3.37Å; L31-V75 PolarHBondContact O-N 3.32Å; V33-V75 HydrophobicContact CG2-CG2 4.04Å; L45-V75 HydrophobicContact CB-CG2 4.48Å; L45-V75 HydrophobicContact CD1-CG2 4.45Å; F49-V75 HydrophobicContact CB-CG1 4.36Å; F49-V75 HydrophobicContact CD2-CG2 4.31Å; F49-V75 HydrophobicContact CE2-CG2 4.46Å; F49-V75 HydrophobicContact CG-CG1 4.38Å; I55-V75 HydrophobicContact CD1-CG1 4.36Å; I55-V75 HydrophobicContact CG1-CG1 4.27Å; I55-V75 HydrophobicContact CG2-CG1 3.89Å; I58-V75 HydrophobicContact CG1-CG1 4.41Å; I58-V75 HydrophobicContact CG2-CG2 4.42Å; V75-F77 HydrophobicContact CG1-CD2 4.2Å; V75-F77 HydrophobicContact CG1-CE2 3.72Å; V75-F77 HydrophobicContact CG1-CZ 4.43Å
76R88.2Confident82.1Confident18 Ų1867.7 Ų67.77%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-104.4130.9179.9-49.9-172.491.5157.15.5109.9I25 T29 S30 I55 G56 D57I25-R76 VanDerWaalsContact CD1-NH1 3.35Å; T29-R76 WeakPolarHBondContact O-CA 3.5Å; S30-R76 PolarHBondContact OG-NE 3.15Å; S30-R76 PolarHBondContact OG-NH2 2.83Å; I55-R76 CarbonylContact C-O 3.54Å; I55-R76 WeakPolarHBondContact CA-O 3.27Å; G56-R76 PolarHBondContact N-O 2.88Å; D57-R76 HydrophobicContact CB-CB 4.24Å; D57-R76 HydrophobicContact CB-CG 4.13Å; D57-R76 PolarHBondContact O-N 3.42Å
77F89.8Confident83.4Confident0 Ų065 Ų650%028%0.281CS..EExtended strand (participates in β ladder)trans-106.7146.3175.1-80-92.5000110.6M28 T29 L31 F49 I55 V75 S79 D82 A83 A86M28-F77 WeakPolarHBondContact CA-O 2.96Å; M28-F77 WeakPolarHBondContact CB-O 3.46Å; T29-F77 PolarHBondContact N-O 2.82Å; T29-F77 PolarHBondContact O-N 2.92Å; L31-F77 HydrophobicContact CD1-CD2 3.91Å; L31-F77 HydrophobicContact CD1-CE2 3.65Å; L31-F77 HydrophobicContact CG-CD2 4.28Å; L31-F77 HydrophobicContact CG-CE2 4.45Å; F49-F77 HydrophobicContact CB-CZ 3.96Å; F49-F77 HydrophobicContact CD1-CE2 4.08Å; F49-F77 AromaticContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CD1-CZ 3.99Å; F49-F77 HydrophobicContact CG-CZ 4.44Å; I55-F77 HydrophobicContact CG1-CE1 4.17Å; I55-F77 HydrophobicContact CG1-CZ 4.23Å; V75-F77 HydrophobicContact CG1-CD2 4.2Å; V75-F77 HydrophobicContact CG1-CE2 3.72Å; V75-F77 HydrophobicContact CG1-CZ 4.43Å; F77-S79 VanDerWaalsContact C-N 3.3Å; F77-D82 HydrophobicContact CD1-CB 3.98Å; F77-D82 HydrophobicContact CE1-CB 4.45Å; F77-A83 HydrophobicContact CB-CB 3.94Å; F77-A83 HydrophobicContact CD2-CB 3.99Å; F77-A83 HydrophobicContact CG-CB 4.07Å; F77-A86 HydrophobicContact CE2-CB 4.16Å; F77-A86 HydrophobicContact CZ-CB 3.84Å
78H87.1Confident85Confident91 Ų9157.5 Ų57.542%0.42127%0.274SS..SBendtrans-65.7-35.1172.6-78.5-92.8000112.3E54 G56E54-H78 PolarHBondContact O-N 2.85Å; E54-H78 IonicContact OE1-CD2 3.1Å; E54-H78 IonicContact OE1-CG 3.8Å; E54-H78 IonicContact OE1-NE2 3.76Å; G56-H78 VanDerWaalsContact CA-NE2 3.31Å; G56-H78 WeakPolarHBondContact CA-NE2 3.35Å
79S87.2Confident86.7Confident48 Ų4860 Ų6034%0.33628%0.28SS..  trans-116.8134.9-177.7-172.10000111.9F77 R81 D82 A83F77-S79 VanDerWaalsContact C-N 3.3Å; S79-R81 VanDerWaalsContact C-N 3.28Å; S79-R81 PolarHBondContact O-N 2.76Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 3.19Å; S79-A83 PolarHBondContact O-N 3.2Å
80R87.4Confident88.1Confident164 Ų16460 Ų6062%0.61928%0.278SS*.Hα-helixtrans-59.3-40.8174.1-174.717568.9173.2-0.9112.2T29 D82 A83 E84T29-R80 HydrophobicContact CG2-CG 4.31Å; T29-R80 WeakPolarHBondContact OG1-CA 3.41Å; T29-R80 VanDerWaalsContact OG1-CB 3.23Å; T29-R80 WeakPolarHBondContact OG1-CB 3.43Å; R80-D82 VanDerWaalsContact C-N 3.28Å; R80-D82 PolarHBondContact O-N 2.81Å; R80-A83 WeakPolarHBondContact O-CB 3.35Å; R80-A83 PolarHBondContact O-N 3.23Å; R80-E84 HydrophobicContact CG-CG 4.31Å; R80-E84 WeakPolarHBondContact O-CG 3.49Å; R80-E84 PolarHBondContact O-N 2.83Å
81R90.5Very high89.1Confident191 Ų19155.6 Ų55.672%0.72127%0.267SS*.Hα-helixtrans-63.7-36.6-177-167.4177.6173.7-113.91.7111.8S79 R85S79-R81 VanDerWaalsContact C-N 3.28Å; S79-R81 PolarHBondContact O-N 2.76Å; R81-R85 WeakPolarHBondContact O-CB 3.21Å; R81-R85 PolarHBondContact O-N 3.47Å; R81-R85 VanDerWaalsContact O-N 3.1Å
82D91.1Very high89.4Confident37 Ų3756.2 Ų56.220%0.19827%0.273CS..Hα-helixtrans-71.8-39.5176.1-66.4-35.2000111.6F52 F77 S79 R80 R85 A86F52-D82 WeakPolarHBondContact O-CB 3.3Å; F77-D82 HydrophobicContact CD1-CB 3.98Å; F77-D82 HydrophobicContact CE1-CB 4.45Å; S79-D82 WeakPolarHBondContact CB-OD2 3.47Å; S79-D82 PolarHBondContact O-N 3.19Å; R80-D82 VanDerWaalsContact C-N 3.28Å; R80-D82 PolarHBondContact O-N 2.81Å; D82-R85 PolarHBondContact O-N 2.81Å; D82-R85 IonicContact OD1-CZ 3.56Å; D82-R85 IonicContact OD1-NH1 3.27Å; D82-R85 PolarHBondContact OD1-NH1 2.78Å; D82-A86 WeakPolarHBondContact O-CB 3.16Å; D82-A86 PolarHBondContact O-N 3.03Å
83A90.3Very high89.6Confident0 Ų061.6 Ų61.60%029%0.292CS..Hα-helixtrans-61.5-45.7174.400000112.4T29 L31 F77 S79 R80 R85 A86 M87T29-A83 HydrophobicContact CG2-CB 3.4Å; T29-A83 VanDerWaalsContact CG2-CB 3.4Å; L31-A83 HydrophobicContact CD1-CB 4.12Å; L31-A83 WeakPolarHBondContact CD1-O 3.3Å; L31-A83 HydrophobicContact CD2-CB 4.05Å; L31-A83 HydrophobicContact CG-CB 4.01Å; F77-A83 HydrophobicContact CB-CB 3.94Å; F77-A83 HydrophobicContact CD2-CB 3.99Å; F77-A83 HydrophobicContact CG-CB 4.07Å; S79-A83 PolarHBondContact O-N 3.2Å; R80-A83 WeakPolarHBondContact O-CB 3.35Å; R80-A83 PolarHBondContact O-N 3.23Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.12Å; A83-A86 PolarHBondContact O-N 2.84Å; A83-M87 VanDerWaalsContact O-CB 3.32Å; A83-M87 WeakPolarHBondContact O-CB 3.35Å; A83-M87 PolarHBondContact O-N 2.89Å
84E90.4Very high89.4Confident86 Ų8670.9 Ų70.940%0.40233%0.327SS..Hα-helixtrans-61.7-41.7176.6-73.4177.2140.100111.6R80 M87 G88 M104R80-E84 HydrophobicContact CG-CG 4.31Å; R80-E84 WeakPolarHBondContact O-CG 3.49Å; R80-E84 PolarHBondContact O-N 2.83Å; E84-M87 HydrophobicContact CB-CE 4.49Å; E84-M87 HydrophobicContact CG-CE 4.18Å; E84-M87 PolarHBondContact O-N 3.23Å; E84-G88 PolarHBondContact O-N 2.97Å; E84-M104 HydrophobicContact CG-CE 3.43Å; E84-M104 VanDerWaalsContact CG-CE 3.43Å; E84-M104 WeakPolarHBondContact OE1-CE 3.46Å
85R91.8Very high89.2Confident111 Ų11170.5 Ų70.542%0.41933%0.327SS..Hα-helixtrans-66.2-41.6177.3-157.4175.580.8-105.97.8111.9F52 R81 D82 A83 K89F52-R85 VanDerWaalsContact C-NH2 3.32Å; F52-R85 PolarHBondContact O-NH1 3.17Å; F52-R85 PolarHBondContact O-NH2 3.43Å; R81-R85 WeakPolarHBondContact O-CB 3.21Å; R81-R85 PolarHBondContact O-N 3.47Å; R81-R85 VanDerWaalsContact O-N 3.1Å; D82-R85 PolarHBondContact O-N 2.81Å; D82-R85 IonicContact OD1-CZ 3.56Å; D82-R85 IonicContact OD1-NH1 3.27Å; D82-R85 PolarHBondContact OD1-NH1 2.78Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 3.12Å; R85-K89 WeakPolarHBondContact O-CB 3.33Å; R85-K89 PolarHBondContact O-N 3.07Å; R85-K89 VanDerWaalsContact O-N 3.12Å
86A91.3Very high88.7Confident0 Ų074.9 Ų74.90%035%0.35CS..Hα-helixtrans-62.5-46.9175.700000111.1L31 F49 F52 F77 D82 A83 K89 M90L31-A86 HydrophobicContact CD1-CB 4.09Å; F49-A86 HydrophobicContact CD1-CB 4.04Å; F49-A86 HydrophobicContact CE1-CB 4.33Å; F52-A86 HydrophobicContact CB-CB 3.67Å; F52-A86 HydrophobicContact CD2-CB 3.88Å; F52-A86 HydrophobicContact CG-CB 3.82Å; F77-A86 HydrophobicContact CE2-CB 4.16Å; F77-A86 HydrophobicContact CZ-CB 3.84Å; D82-A86 WeakPolarHBondContact O-CB 3.16Å; D82-A86 PolarHBondContact O-N 3.03Å; A83-A86 PolarHBondContact O-N 2.84Å; A86-K89 PolarHBondContact O-N 2.87Å; A86-M90 VanDerWaalsContact O-CB 3.27Å; A86-M90 WeakPolarHBondContact O-CB 3.37Å; A86-M90 PolarHBondContact O-N 3.01Å
87M91.4Very high88.5Confident38 Ų3876.5 Ų76.519%0.18737%0.372CS..Hα-helixtrans-56.6-55.6175.4176.8171.743.200110.9L31 A83 E84 K89 M90 D91 I102 M104L31-M87 HydrophobicContact CD2-CB 4.24Å; L31-M87 HydrophobicContact CD2-CE 4.47Å; L31-M87 HydrophobicContact CD2-SD 4.4Å; A83-M87 VanDerWaalsContact O-CB 3.32Å; A83-M87 WeakPolarHBondContact O-CB 3.35Å; A83-M87 PolarHBondContact O-N 2.89Å; E84-M87 HydrophobicContact CB-CE 4.49Å; E84-M87 HydrophobicContact CG-CE 4.18Å; E84-M87 PolarHBondContact O-N 3.23Å; M87-K89 VanDerWaalsContact C-N 3.27Å; M87-K89 PolarHBondContact O-N 3.32Å; M87-M90 PolarHBondContact O-N 2.76Å; M87-D91 WeakPolarHBondContact O-CA 3.48Å; M87-D91 WeakPolarHBondContact O-CB 3.46Å; M87-D91 PolarHBondContact O-N 2.78Å; M87-I102 HydrophobicContact CB-CG2 4Å; M87-I102 HydrophobicContact CG-CB 4.39Å; M87-I102 HydrophobicContact CG-CG2 4.09Å; M87-I102 WeakPolarHBondContact CG-O 3.4Å; M87-M104 HydrophobicContact CE-CE 3.9Å; M87-M104 HydrophobicContact CE-CG 3.74Å; M87-M104 HydrophobicContact SD-CG 4.1Å
88G90.5Very high88.3Confident67 Ų6782.2 Ų82.269%0.69139%0.394SS*.Hα-helixtrans-64.1-25.6-178.400000115.3E84E84-G88 PolarHBondContact O-N 2.97Å
89K91.1Very high88.4Confident145 Ų14583.5 Ų83.563%0.6340%0.4SS*.Hα-helixtrans-91.2-32.6179.8-83.1-88.6-178.4175.50114F52 R85 A86 M87 R93F52-K89 HydrophobicContact CD1-CB 4.32Å; F52-K89 HydrophobicContact CE1-CB 3.45Å; F52-K89 VanDerWaalsContact CE1-CB 3.45Å; F52-K89 HydrophobicContact CE1-CD 4.49Å; F52-K89 HydrophobicContact CE1-CG 3.88Å; F52-K89 HydrophobicContact CZ-CB 3.77Å; R85-K89 WeakPolarHBondContact O-CB 3.33Å; R85-K89 PolarHBondContact O-N 3.07Å; R85-K89 VanDerWaalsContact O-N 3.12Å; A86-K89 PolarHBondContact O-N 2.87Å; M87-K89 VanDerWaalsContact C-N 3.27Å; M87-K89 PolarHBondContact O-N 3.32Å; K89-R93 VanDerWaalsContact O-CG 3.27Å; K89-R93 WeakPolarHBondContact O-CG 3.39Å
90M89.5Confident88.6Confident13 Ų1381.3 Ų81.36%0.06438%0.384CS..Hα-helixtrans-103-18.2-175.2-70.2-75.4-66.400112.9A48 F49 F52 A86 M87 G92 R93 I100 I102A48-M90 HydrophobicContact CB-CE 3.98Å; F49-M90 HydrophobicContact CE1-CB 4.4Å; F52-M90 HydrophobicContact CD2-CG 4.2Å; F52-M90 HydrophobicContact CE2-CG 3.19Å; F52-M90 HydrophobicContact CE2-SD 3.79Å; F52-M90 HydrophobicContact CZ-CG 3.47Å; F52-M90 VanDerWaalsContact CZ-CG 3.47Å; F52-M90 HydrophobicContact CZ-SD 3.97Å; A86-M90 VanDerWaalsContact O-CB 3.27Å; A86-M90 WeakPolarHBondContact O-CB 3.37Å; A86-M90 PolarHBondContact O-N 3.01Å; M87-M90 PolarHBondContact O-N 2.76Å; M90-G92 PolarHBondContact O-N 3.45Å; M90-R93 VanDerWaalsContact O-CB 3.3Å; M90-R93 WeakPolarHBondContact O-CB 3.5Å; M90-R93 PolarHBondContact O-N 2.69Å; M90-I100 HydrophobicContact CB-CD1 4.4Å; M90-I100 HydrophobicContact CE-CD1 3.84Å; M90-I102 VanDerWaalsContact C-CD1 3.49Å; M90-I102 HydrophobicContact CB-CD1 3.23Å; M90-I102 HydrophobicContact CG-CD1 4.49Å
91D90.4Very high88.7Confident62 Ų6278.4 Ų78.433%0.33238%0.378SS..THydrogen-bonded Turntrans-61.6130.7175-174.650.1000110.3M87 R93 H101 I102M87-D91 WeakPolarHBondContact O-CA 3.48Å; M87-D91 WeakPolarHBondContact O-CB 3.46Å; M87-D91 PolarHBondContact O-N 2.78Å; D91-R93 PolarHBondContact O-N 2.81Å; D91-H101 WeakPolarHBondContact OD1-CA 3.24Å; D91-H101 IonicContact OD1-CE1 2.74Å; D91-H101 PolarHBondContact OD1-CE1 3.38Å; D91-H101 IonicContact OD1-CG 3.45Å; D91-H101 IonicContact OD1-ND1 3.69Å; D91-H101 PolarHBondContact OD1-ND1 2.84Å; D91-H101 IonicContact OD2-CE1 3.88Å; D91-H101 IonicContact OD2-ND1 3.88Å; D91-I102 HydrophobicContact CB-CB 4.24Å; D91-I102 PolarHBondContact OD1-N 3.3Å
92G88.2Confident88.8Confident27 Ų2769.5 Ų69.528%0.27834%0.344SS..THydrogen-bonded Turntrans72.65.6-175.900000114.7M90 Q99 I100M90-G92 PolarHBondContact O-N 3.45Å; G92-Q99 WeakPolarHBondContact O-CG 3.39Å; G92-Q99 PolarHBondContact O-NE2 3.13Å; G92-I100 WeakPolarHBondContact CA-O 3.35Å; G92-I100 PolarHBondContact N-O 2.73Å
93R88.8Confident88.8Confident157 Ų15770.6 Ų70.659%0.59235%0.352SS*.  trans-79.4155.6174-69.5-70.6-74.4-141.5-3.3111.3K89 M90 D91 Q99 I100K89-R93 VanDerWaalsContact O-CG 3.27Å; K89-R93 WeakPolarHBondContact O-CG 3.39Å; M90-R93 VanDerWaalsContact O-CB 3.3Å; M90-R93 WeakPolarHBondContact O-CB 3.5Å; M90-R93 PolarHBondContact O-N 2.69Å; D91-R93 PolarHBondContact O-N 2.81Å; R93-Q99 CarbonylContact O-C 3.54Å; R93-Q99 WeakPolarHBondContact O-CA 3.28Å; R93-I100 WeakPolarHBondContact O-CG1 3.08Å; R93-I100 PolarHBondContact O-N 2.79Å
94R85.6Confident88.6Confident194 Ų19474.4 Ų74.473%0.73237%0.371SS*.EExtended strand (participates in β ladder)trans-87.2122.5173.8-58.7-177.186.9160.84.8110.3G97 R98R94-G97 PolarHBondContact NE-O 2.94Å; R94-G97 PolarHBondContact NH2-O 3.26Å; R94-R98 CarbonylContact C-O 3.57Å; R94-R98 WeakPolarHBondContact CA-O 3.45Å
95L82.2Confident88.2Confident32 Ų3271.4 Ų71.417%0.16836%0.361CS..EExtended strand (participates in β ladder)trans-121.6125.2171.2-16676.8000107.6L36 T40 L45 A48 G97 R98 I100L36-L95 HydrophobicContact CD2-CD2 3.72Å; T40-L95 HydrophobicContact CG2-CD2 3.64Å; L45-L95 HydrophobicContact CD2-CD2 4.37Å; A48-L95 HydrophobicContact CB-CD1 4.41Å; L95-G97 PolarHBondContact O-N 2.93Å; L95-R98 PolarHBondContact N-O 3.24Å; L95-R98 PolarHBondContact O-N 2.76Å; L95-R98 VanDerWaalsContact O-O 3.05Å; L95-I100 HydrophobicContact CB-CD1 4.38Å; L95-I100 HydrophobicContact CB-CG1 4.5Å; L95-I100 HydrophobicContact CB-CG2 3.67Å; L95-I100 HydrophobicContact CD2-CG2 4.24Å
96D81Confident87Confident91 Ų9177.4 Ų77.449%0.48738%0.383SS..THydrogen-bonded Turntrans55.233.6-177.5-108.1-97.6000113.8R98D96-R98 PolarHBondContact O-N 2.84Å
97G83.8Confident85.4Confident52 Ų5286.4 Ų86.454%0.53642%0.419SS..THydrogen-bonded Turntrans80.4-10.7-178.300000115.4R94 L95R94-G97 PolarHBondContact NE-O 2.94Å; R94-G97 PolarHBondContact NH2-O 3.26Å; L95-G97 PolarHBondContact O-N 2.93Å
98R84Confident83.7Confident121 Ų12187 Ų8746%0.45743%0.434SS..EExtended strand (participates in β ladder)trans-99.6144.4176.2-78.2-176.7151.8127.2-6.2111.9R94 L95 D96 I100R94-R98 CarbonylContact C-O 3.57Å; R94-R98 WeakPolarHBondContact CA-O 3.45Å; L95-R98 PolarHBondContact N-O 3.24Å; L95-R98 PolarHBondContact O-N 2.76Å; L95-R98 VanDerWaalsContact O-O 3.05Å; D96-R98 PolarHBondContact O-N 2.84Å; R98-I100 PolarHBondContact O-N 3.41Å
99Q89.3Confident81.8Confident118 Ų11889.1 Ų89.155%0.55142%0.421SS*.EExtended strand (participates in β ladder)trans-82.4112.4177.3-160.4173.63600109.5N35 G92 R93N35-Q99 WeakPolarHBondContact CB-O 3.38Å; N35-Q99 PolarHBondContact ND2-O 2.73Å; G92-Q99 WeakPolarHBondContact O-CG 3.39Å; G92-Q99 PolarHBondContact O-NE2 3.13Å; R93-Q99 CarbonylContact O-C 3.54Å; R93-Q99 WeakPolarHBondContact O-CA 3.28Å
100I91.5Very high79.8Confident1 Ų186.6 Ų86.61%0.00542%0.42CS..  trans-81.7146.4-179.360.1167000110.5V33 D34 L36 M90 G92 R93 L95 R98 I102V33-I100 HydrophobicContact CG1-CB 4.21Å; V33-I100 HydrophobicContact CG1-CD1 4.27Å; D34-I100 WeakPolarHBondContact O-CA 3.48Å; L36-I100 HydrophobicContact CD2-CG2 3.72Å; L36-I100 HydrophobicContact CG-CG2 4.37Å; M90-I100 HydrophobicContact CB-CD1 4.4Å; M90-I100 HydrophobicContact CE-CD1 3.84Å; G92-I100 WeakPolarHBondContact CA-O 3.35Å; G92-I100 PolarHBondContact N-O 2.73Å; R93-I100 WeakPolarHBondContact O-CG1 3.08Å; R93-I100 PolarHBondContact O-N 2.79Å; L95-I100 HydrophobicContact CB-CD1 4.38Å; L95-I100 HydrophobicContact CB-CG1 4.5Å; L95-I100 HydrophobicContact CB-CG2 3.67Å; L95-I100 HydrophobicContact CD2-CG2 4.24Å; R98-I100 PolarHBondContact O-N 3.41Å; I100-I102 HydrophobicContact CD1-CD1 3.98Å; I100-I102 HydrophobicContact CD1-CG1 4.33Å
101H90.8Very high77.8Confident104 Ų10492.4 Ų92.448%0.48145%0.449SS..EExtended strand (participates in β ladder)trans-116.6131.2175.6-148.428.9000109.5V33 D34 D91V33-H101 CarbonylContact C-O 3.5Å; V33-H101 WeakPolarHBondContact CA-O 3.44Å; D34-H101 HydrophobicContact CB-CB 4.3Å; D34-H101 PolarHBondContact N-O 3.4Å; D34-H101 PolarHBondContact O-N 3.18Å; D91-H101 WeakPolarHBondContact OD1-CA 3.24Å; D91-H101 IonicContact OD1-CE1 2.74Å; D91-H101 PolarHBondContact OD1-CE1 3.38Å; D91-H101 IonicContact OD1-CG 3.45Å; D91-H101 IonicContact OD1-ND1 3.69Å; D91-H101 PolarHBondContact OD1-ND1 2.84Å; D91-H101 IonicContact OD2-CE1 3.88Å; D91-H101 IonicContact OD2-ND1 3.88Å
102I92.3Very high75.9Confident3 Ų393.6 Ų93.62%0.01546%0.456CS..EExtended strand (participates in β ladder)trans-123.9123.7-174-54.5171.4000108.7L31 K32 V33 F49 M87 M90 D91 I100L31-I102 HydrophobicContact CB-CG2 4.08Å; L31-I102 HydrophobicContact CD1-CG2 4.02Å; L31-I102 HydrophobicContact CD2-CG2 4.32Å; L31-I102 HydrophobicContact CG-CG2 4.38Å; K32-I102 WeakPolarHBondContact O-CA 3.41Å; V33-I102 HydrophobicContact CG1-CG1 4.2Å; V33-I102 HydrophobicContact CG2-CG1 4.35Å; F49-I102 HydrophobicContact CE1-CD1 3.68Å; F49-I102 HydrophobicContact CZ-CD1 3.5Å; F49-I102 HydrophobicContact CZ-CG1 4.26Å; M87-I102 HydrophobicContact CB-CG2 4Å; M87-I102 HydrophobicContact CG-CB 4.39Å; M87-I102 HydrophobicContact CG-CG2 4.09Å; M87-I102 WeakPolarHBondContact CG-O 3.4Å; M90-I102 VanDerWaalsContact C-CD1 3.49Å; M90-I102 HydrophobicContact CB-CD1 3.23Å; M90-I102 HydrophobicContact CG-CD1 4.49Å; D91-I102 HydrophobicContact CB-CB 4.24Å; D91-I102 PolarHBondContact OD1-N 3.3Å; I100-I102 HydrophobicContact CD1-CD1 3.98Å; I100-I102 HydrophobicContact CD1-CG1 4.33Å
103V90.2Very high74.1Confident61 Ų6198.1 Ų98.137%0.3747%0.473SS..EExtended strand (participates in β ladder)trans-131.1153.5179.2-60.50000110.3K32 A105K32-V103 HydrophobicContact CB-CG2 3.87Å; K32-V103 HydrophobicContact CD-CG2 4.27Å; K32-V103 HydrophobicContact CG-CG2 4.4Å; K32-V103 PolarHBondContact N-O 2.72Å; K32-V103 PolarHBondContact O-N 3.29Å; V103-A105 PolarHBondContact O-N 3.45Å
104M87Confident72.3Confident80 Ų8099.1 Ų99.139%0.39448%0.477SS..EExtended strand (participates in β ladder)trans-60.1122.5168.8-76-169.8173.500109.7E84 M87 R106E84-M104 HydrophobicContact CG-CE 3.43Å; E84-M104 VanDerWaalsContact CG-CE 3.43Å; E84-M104 WeakPolarHBondContact OE1-CE 3.46Å; M87-M104 HydrophobicContact CE-CE 3.9Å; M87-M104 HydrophobicContact CE-CG 3.74Å; M87-M104 HydrophobicContact SD-CG 4.1Å; M104-R106 PolarHBondContact O-N 3.4Å
105A81.1Confident70.3Confident22 Ų2292.6 Ų92.618%0.18247%0.471CS..  trans-73.1113.3176.800000108.9S30 K32 F74 V103 Y107S30-A105 WeakPolarHBondContact O-CB 3.27Å; S30-A105 PolarHBondContact O-N 2.7Å; K32-A105 HydrophobicContact CB-CB 4.11Å; F74-A105 HydrophobicContact CD1-CB 4.04Å; F74-A105 HydrophobicContact CE1-CB 4.24Å; V103-A105 PolarHBondContact O-N 3.45Å; A105-Y107 PolarHBondContact O-N 3.1Å
106R67.1Low68.6Low238 Ų238102.5 Ų102.590%0.89851%0.506SS*.  trans-75.7-12.4174.8-63.9-178.973.5177.33.3113.2M104M104-R106 PolarHBondContact O-N 3.4Å
107Y56.6Low66.8Low189 Ų189105.2 Ų105.274%0.74152%0.52SS*.SBendtrans-112123.5-176.7-67.9-83000110.5A105A105-Y107 PolarHBondContact O-N 3.1Å
108G55.8Low65Low49 Ų49104.9 Ų104.951%0.50552%0.517SS..  trans-57.9147.9156.900000109.1P110G108-P110 VanDerWaalsContact O-N 3.13Å
109R51.4Low63.6Low113 Ų113105.9 Ų105.943%0.42653%0.532SS..  trans-41.7121.2-179.5-165.3-157.9-114.8-132.110.3109.3D57 H59 I111D57-R109 IonicContact OD1-NH2 2.83Å; H59-R109 VanDerWaalsContact ND1-CZ 3.28Å; H59-R109 PolarHBondContact ND1-NH2 3.29Å; R109-I111 PolarHBondContact O-N 2.83Å; R109-I111 VanDerWaalsContact O-N 3.12Å
110P48.3Very low62Low92 Ų92105.9 Ų105.960%0.59754%0.536SS*.  trans-58.3123.7165.524.5-29.9000105.8G108 D112G108-P110 VanDerWaalsContact O-N 3.13Å; P110-D112 PolarHBondContact O-N 3.04Å
111I48.5Very low59.9Low134 Ų134116.3 Ų116.369%0.68758%0.576SS**  trans-60.5108.4171.3-61.2166000103.5R109 D113R109-I111 PolarHBondContact O-N 2.83Å; R109-I111 VanDerWaalsContact O-N 3.12Å; I111-D113 PolarHBondContact O-N 2.96Å; I111-D113 VanDerWaalsContact O-OD2 3.09Å
112D50.9Low57.8Low88 Ų88122.4 Ų122.447%0.47160%0.597SS.*  trans-67.693.4172.4-171.4-119.2000104.5P110 R114P110-D112 PolarHBondContact O-N 3.04Å; D112-R114 PolarHBondContact O-N 3.22Å; D112-R114 WeakPolarHBondContact OD1-CB 2.93Å; D112-R114 WeakPolarHBondContact OD1-CD 3.4Å; D112-R114 VanDerWaalsContact OD1-CG 3.24Å; D112-R114 WeakPolarHBondContact OD1-CG 3.24Å; D112-R114 IonicContact OD1-CZ 2.69Å; D112-R114 IonicContact OD1-NE 3.67Å; D112-R114 IonicContact OD1-NH1 2.7Å; D112-R114 PolarHBondContact OD1-NH1 3.49Å; D112-R114 IonicContact OD2-CZ 3.66Å; D112-R114 VanDerWaalsContact OD2-CZ 3.27Å; D112-R114 IonicContact OD2-NE 3.27Å; D112-R114 IonicContact OD2-NH1 3.71Å; D112-R114 PolarHBondContact OD2-NH1 3.38Å; D112-R114 VanDerWaalsContact OD2-NH1 3.1Å; D112-R114 IonicContact OD2-NH2 3.59Å
113D49.7Very low55.8Low121 Ų121132.5 Ų132.565%0.64764%0.635SS**  trans-61.823.7178.8-68.3-75.1000113.1I111 G115I111-D113 PolarHBondContact O-N 2.96Å; I111-D113 VanDerWaalsContact O-OD2 3.09Å; D113-G115 PolarHBondContact O-N 3.13Å
114R51.6Low53.8Low178 Ų178140.4 Ų140.467%0.67266%0.658SS**  trans-77.131.1173.5-62.6-162.8-162.3112.9-5.6112.7D112D112-R114 PolarHBondContact O-N 3.22Å; D112-R114 WeakPolarHBondContact OD1-CB 2.93Å; D112-R114 WeakPolarHBondContact OD1-CD 3.4Å; D112-R114 VanDerWaalsContact OD1-CG 3.24Å; D112-R114 WeakPolarHBondContact OD1-CG 3.24Å; D112-R114 IonicContact OD1-CZ 2.69Å; D112-R114 IonicContact OD1-NE 3.67Å; D112-R114 IonicContact OD1-NH1 2.7Å; D112-R114 PolarHBondContact OD1-NH1 3.49Å; D112-R114 IonicContact OD2-CZ 3.66Å; D112-R114 VanDerWaalsContact OD2-CZ 3.27Å; D112-R114 IonicContact OD2-NE 3.27Å; D112-R114 IonicContact OD2-NH1 3.71Å; D112-R114 PolarHBondContact OD2-NH1 3.38Å; D112-R114 VanDerWaalsContact OD2-NH1 3.1Å; D112-R114 IonicContact OD2-NH2 3.59Å
115G44Very low51.7Low58 Ų58148.3 Ų148.360%0.59868%0.683SS**SBendtrans-157.564.9-175.400000113.6D113D113-G115 PolarHBondContact O-N 3.13Å
116R46.1Very low49.9Very low240 Ų240158 Ų15891%0.90672%0.715SS**SBendtrans67124.2159.3-54.4-157.6-116.9169.3-3.8117
117N43.5Very low48.9Very low147 Ų147151.8 Ų151.879%0.78671%0.708SS**  trans75.270.6166.3-75.5-17.4000118.4
118G45.5Very low48.5Very low46 Ų46148.5 Ų148.547%0.47471%0.707SS.*  trans-113.65.1170.300000115.4D120G118-D120 VanDerWaalsContact C-N 3.3Å; G118-D120 PolarHBondContact O-N 2.77Å
119D53.7Low47.9Very low142 Ų142155.3 Ų155.376%0.75972%0.723SS**THydrogen-bonded Turntrans-74.7-9.5-170.6-63.6-79.3000115.1
120D56.8Low47.4Very low118 Ų118160.9 Ų160.963%0.63175%0.745SS**THydrogen-bonded Turntrans-94-16.1-168.8-68.8-63.9000115.7G118G118-D120 VanDerWaalsContact C-N 3.3Å; G118-D120 PolarHBondContact O-N 2.77Å
121Y47.5Very low47Very low220 Ų220161 Ų16186%0.86375%0.748SS**SBendtrans-81-19.6-173.1-90.8-89.1000114.9
122Y47.2Very low46.7Very low231 Ų231164.3 Ų164.391%0.90676%0.757SS**SBendtrans-95.1-7.3179-91.8-87.6000114.9
123R49.6Very low46.8Very low216 Ų216167.2 Ų167.282%0.81577%0.771SS**THydrogen-bonded Turntrans-82.8-9.1-178.6-154.5174.6-163162.65.1114.4
124R47Very low46.3Very low227 Ų227170.1 Ų170.186%0.85778%0.779SS**THydrogen-bonded Turntrans-99.78.5-169.7-162.1162.5-78175.1-1.6115.8
125R43.7Very low46.3Very low245 Ų245168.8 Ų168.893%0.92579%0.79SS**SBendtrans-123.919.7-178.3-127.1179.2-170.81602.5116.8
126R43.5Very low45.8Very low227 Ų227174 Ų17486%0.85780%0.798SS**  trans-140.564175.2-143.6177-169.9166.72111.8
127S45.2Very low46.1Very low107 Ų107175.4 Ų175.475%0.74881%0.811SS**  trans-14026.7168.28.90000112.4
128V49.9Very low46.2Very low120 Ų120176.8 Ų176.873%0.72781%0.812SS**SBendtrans-132.3114.7163.4-158.60000105.8
129F42.6Very low46.2Very low191 Ų191183.7 Ų183.784%0.83883%0.83SS**SBendtrans91.3121.1-179.7-62-83.3000118.5
130R40.4Very low45.8Very low231 Ų231186 Ų18687%0.87283%0.834SS**  trans94.6120.6171.8-62.7179.5153.5129.6-5.9114.3
131S40.5Very low45.2Very low95 Ų95190 Ų19066%0.66485%0.846SS**  cis-166.3152.43.4-93.20000108.1I133S131-I133 PolarHBondContact O-N 3.45Å
132F43Very low45Very low203 Ų203188.1 Ų188.189%0.8985%0.845SS**  trans-44.6128.1149.3-78.8-105.1000110.4
133I51.1Low44.9Very low149 Ų149185.3 Ų185.376%0.76484%0.841SS**  trans-159.898.1148.2-82.7130.1000103.4S131S131-I133 PolarHBondContact O-N 3.45Å
134F39.5Very low44.5Very low182 Ų182183.1 Ų183.180%0.79884%0.843SS**  49.9100.1102.9-102.8-90.7000113.8
135V51.7Low44.4Very low149 Ų149179.7 Ų179.790%0.90384%0.842SS**  trans-126.5116145.4-1780000107
136H34.1Very low44.4Very low168 Ų168174.3 Ų174.378%0.77884%0.835SS**  trans-77.1123.5177177-107.8000109.1
137F51.5Low44.5Very low269 Ų269169.5 Ų169.5100%1.1883%0.833SS**  trans-152.10148.6-154.8-90.4000108.4

Retrieved 137 of 137 residues in 135.3 ms (Link to these results)