G4VM54_SCHMA Loading...

PRESAN domain-containing protein

AlphaFold DB , UniProt , Accession G4VM54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 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
1M78Confident83.8Confident137 Ų13759.1 Ų59.168%0.67526%0.264SS*.  0132.30-177.3174.469.900107.3I3 K22 Y80M1-I3 HydrophobicContact CE-CD1 4.44Å; M1-I3 HydrophobicContact CE-CG1 4.47Å; M1-K22 HydrophobicContact CE-CD 4.31Å; M1-K22 HydrophobicContact SD-CB 4.1Å; M1-K22 HydrophobicContact SD-CD 4.08Å; M1-K22 HydrophobicContact SD-CG 4.32Å; M1-Y80 PolarHBondContact O-OH 2.86Å
2V84.1Confident81.6Confident14 Ų1464.2 Ų64.29%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-107138.1175.7177.80000108.1L4 L23 L26 Y80 I86V2-L4 HydrophobicContact CG1-CD2 4.23Å; V2-L23 HydrophobicContact CB-CB 4.41Å; V2-L23 HydrophobicContact CB-CD1 4.48Å; V2-L23 PolarHBondContact N-O 3.21Å; V2-L23 PolarHBondContact O-N 3.21Å; V2-L26 HydrophobicContact CG2-CD1 4.18Å; V2-L26 HydrophobicContact CG2-CG 4.43Å; V2-Y80 HydrophobicContact CG1-CE2 4.36Å; V2-I86 HydrophobicContact CG1-CD1 3.86Å; V2-I86 HydrophobicContact CG1-CG1 4.48Å
3I88.1Confident79.5Confident39 Ų3969.1 Ų69.120%0.232%0.318CS..EExtended strand (participates in β ladder)trans-109.4118.7178.4-57.2178.1000108.3M1 I20 K22 C85 I86M1-I3 HydrophobicContact CE-CD1 4.44Å; M1-I3 HydrophobicContact CE-CG1 4.47Å; I3-I20 HydrophobicContact CG2-CG2 3.81Å; I3-K22 HydrophobicContact CG1-CG 4.49Å; I3-C85 HydrophobicContact CB-CB 4.29Å; I3-C85 HydrophobicContact CG2-CB 4.22Å; I3-C85 CarbonylContact O-C 3.58Å; I3-C85 VanDerWaalsContact O-CA 3.31Å; I3-C85 WeakPolarHBondContact O-CA 3.31Å; I3-I86 PolarHBondContact O-N 2.91Å
4L90.4Very high78.5Confident0 Ų076.9 Ų76.90%036%0.364CS..EExtended strand (participates in β ladder)trans-95.8130.2169-57.3-172.7000109.3V2 L6 W21 L23 L30 I86 F88V2-L4 HydrophobicContact CG1-CD2 4.23Å; L4-L6 HydrophobicContact CB-CD2 4.48Å; L4-W21 HydrophobicContact CB-CB 4.36Å; L4-W21 HydrophobicContact CD1-CE3 3.72Å; L4-W21 HydrophobicContact CD1-CZ3 4.05Å; L4-W21 PolarHBondContact N-O 3.1Å; L4-W21 PolarHBondContact O-N 3.16Å; L4-L23 HydrophobicContact CD1-CD1 3.78Å; L4-L23 HydrophobicContact CD1-CG 4.39Å; L4-L23 HydrophobicContact CD2-CD1 4.38Å; L4-L23 HydrophobicContact CG-CD1 3.88Å; L4-L23 HydrophobicContact CG-CG 4.41Å; L4-L30 HydrophobicContact CD1-CD2 3.77Å; L4-I86 CarbonylContact C-O 3.55Å; L4-I86 WeakPolarHBondContact CA-O 3.41Å; L4-I86 HydrophobicContact CD2-CB 3.64Å; L4-I86 HydrophobicContact CD2-CD1 4.12Å; L4-I86 HydrophobicContact CD2-CG1 4.38Å; L4-I86 HydrophobicContact CD2-CG2 3.88Å; L4-F88 HydrophobicContact CD1-CE2 4.4Å; L4-F88 HydrophobicContact CD2-CE2 4.08Å
5K92Very high78.1Confident67 Ų6775.1 Ų75.129%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-106.1114.7168.2-71.6-172.2180179.80108.2F19 C85 I86 R87 F88K5-F19 WeakPolarHBondContact CA-O 3.5Å; K5-C85 HydrophobicContact CD-CB 4.1Å; K5-C85 HydrophobicContact CG-CB 4.04Å; K5-I86 PolarHBondContact N-O 2.81Å; K5-R87 HydrophobicContact CB-CG 4.33Å; K5-R87 WeakPolarHBondContact O-CA 3.4Å; K5-F88 PolarHBondContact O-N 2.91Å
6L92.6Very high78.5Confident0 Ų077.2 Ų77.20%038%0.375CS..EExtended strand (participates in β ladder)trans-100.8107.9176.3-47.5175.8000107.1L4 F19 L39 L42 F88 I90L4-L6 HydrophobicContact CB-CD2 4.48Å; L6-F19 HydrophobicContact CB-CB 4.2Å; L6-F19 HydrophobicContact CB-CD2 4.42Å; L6-F19 PolarHBondContact N-O 2.96Å; L6-F19 PolarHBondContact O-N 3.47Å; L6-L39 HydrophobicContact CB-CD2 4.28Å; L6-L39 HydrophobicContact CD1-CD2 3.69Å; L6-L39 HydrophobicContact CD1-CG 4.23Å; L6-L42 HydrophobicContact CD1-CD1 3.99Å; L6-F88 HydrophobicContact CD2-CB 4.01Å; L6-F88 HydrophobicContact CD2-CD2 3.87Å; L6-F88 HydrophobicContact CD2-CG 4.41Å; L6-I90 HydrophobicContact CB-CG1 4.04Å
7I92.5Very high79Confident13 Ų1375.6 Ų75.67%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-99.997.1-173.8-55.2171.2000107.6Q16 R87 F88 H89 I90I7-Q16 HydrophobicContact CG2-CB 4.18Å; I7-Q16 HydrophobicContact CG2-CG 4.3Å; I7-Q16 VanDerWaalsContact CG2-OE1 3.22Å; I7-R87 HydrophobicContact CD1-CB 4.37Å; I7-F88 PolarHBondContact N-O 3.33Å; I7-H89 WeakPolarHBondContact O-CA 3.45Å; I7-I90 PolarHBondContact O-N 3.08Å
8Q91Very high79.6Confident0 Ų076.6 Ų76.60%038%0.375CS..EExtended strand (participates in β ladder)trans-89.1126.8179.8-174.5174.5-73.500110.5Q16 I17 F19 N43 I90 P92Q8-Q16 CarbonylContact O-C 3.58Å; Q8-Q16 WeakPolarHBondContact O-CA 3.47Å; Q8-I17 HydrophobicContact CB-CB 4.31Å; Q8-I17 PolarHBondContact N-O 2.91Å; Q8-I17 PolarHBondContact O-N 3.05Å; Q8-F19 HydrophobicContact CB-CE2 4.31Å; Q8-N43 PolarHBondContact NE2-OD1 3.39Å; Q8-N43 PolarHBondContact OE1-ND2 3.06Å; Q8-N43 PolarHBondContact OE1-OD1 3.01Å; Q8-I90 VanDerWaalsContact CA-O 3.31Å; Q8-I90 WeakPolarHBondContact CA-O 3.41Å; Q8-I90 HydrophobicContact CB-CB 4.16Å; Q8-I90 HydrophobicContact CG-CB 4.42Å; Q8-I90 HydrophobicContact CG-CG2 4.45Å; Q8-P92 HydrophobicContact CG-CG 3.83Å
9K82.2Confident80.3Confident121 Ų12174.2 Ų74.253%0.52636%0.362SS..EExtended strand (participates in β ladder)trans-79.2128167.9-69.2-176.8177.4178.50108.9I90K9-I90 PolarHBondContact N-O 3.13Å; K9-I90 VanDerWaalsContact N-O 3.11Å
10E69.9Low80.8Confident56 Ų5675.7 Ų75.726%0.26237%0.371SS..PPolyproline II helixtrans-83137.4167.6-68.6-152.6130.500110.2N12 A15 I17E10-N12 PolarHBondContact O-N 3.4Å; E10-N12 VanDerWaalsContact O-N 3.16Å; E10-A15 PolarHBondContact N-O 3.23Å; E10-I17 HydrophobicContact CG-CD1 3.72Å; E10-I17 HydrophobicContact CG-CG1 3.98Å; E10-I17 WeakPolarHBondContact OE1-CD1 3.36Å
11Y60.9Low81.3Confident203 Ų20374.3 Ų74.380%0.79636%0.362SS*.THydrogen-bonded Turntrans-65.5-20.4-173.8-149.7-93.2000113.3
12N57.6Low81.8Confident120 Ų12073.8 Ų73.864%0.64236%0.356SS*.THydrogen-bonded Turntrans-118.2-4.2-166.8-70.4-9.1000115E10E10-N12 PolarHBondContact O-N 3.4Å; E10-N12 VanDerWaalsContact O-N 3.16Å
13H54.5Low81.8Confident128 Ų12874.5 Ų74.559%0.59336%0.359SS*.SBendtrans-144.7143.1179.5-62.3-66000107.9A15H13-A15 HydrophobicContact CB-CB 3.84Å; H13-A15 PolarHBondContact O-N 3.41Å
14D65.3Low81.1Confident179 Ų17980.9 Ų80.996%0.95739%0.388SS*.SBendtrans-59.16.8166.7-70.4-42.4000113.1
15A72.7Confident79.5Confident49 Ų4988.8 Ų88.841%0.40542%0.422SS..  trans-68.3135.517000000111.3E10 H13E10-A15 PolarHBondContact N-O 3.23Å; H13-A15 HydrophobicContact CB-CB 3.84Å; H13-A15 PolarHBondContact O-N 3.41Å
16Q83.8Confident77.9Confident109 Ų10991.4 Ų91.451%0.50944%0.439SS..EExtended strand (participates in β ladder)trans-108.5131.5169.1-65.1177.64.700108.4I7 Q8I7-Q16 HydrophobicContact CG2-CB 4.18Å; I7-Q16 HydrophobicContact CG2-CG 4.3Å; I7-Q16 VanDerWaalsContact CG2-OE1 3.22Å; Q8-Q16 CarbonylContact O-C 3.58Å; Q8-Q16 WeakPolarHBondContact O-CA 3.47Å
17I86.7Confident76Confident50 Ų5096.5 Ų96.526%0.25647%0.47SS..EExtended strand (participates in β ladder)trans-87.9125.6166-62168.4000107.6Q8 E10 F19Q8-I17 HydrophobicContact CB-CB 4.31Å; Q8-I17 PolarHBondContact N-O 2.91Å; Q8-I17 PolarHBondContact O-N 3.05Å; E10-I17 HydrophobicContact CG-CD1 3.72Å; E10-I17 HydrophobicContact CG-CG1 3.98Å; E10-I17 WeakPolarHBondContact OE1-CD1 3.36Å; I17-F19 HydrophobicContact CB-CE2 4.44Å; I17-F19 HydrophobicContact CB-CZ 4.45Å; I17-F19 HydrophobicContact CG2-CD1 4.13Å; I17-F19 HydrophobicContact CG2-CD2 4.16Å; I17-F19 HydrophobicContact CG2-CE1 3.64Å; I17-F19 HydrophobicContact CG2-CE2 3.68Å; I17-F19 HydrophobicContact CG2-CG 4.38Å; I17-F19 HydrophobicContact CG2-CZ 3.41Å; I17-F19 VanDerWaalsContact CG2-CZ 3.41Å
18I90.9Very high74.6Confident94 Ų94103.2 Ų103.248%0.48250%0.5SS..EExtended strand (participates in β ladder)trans-110.4108.4177.8-56.4176.5000108.8I20I18-I20 HydrophobicContact CG2-CG1 4.4Å
19F91.5Very high73.9Confident30 Ų30108.6 Ų108.613%0.13253%0.528CS..EExtended strand (participates in β ladder)trans-89.7130.5169.8-53.6-73.5000110.5K5 L6 Q8 I17 L42K5-F19 WeakPolarHBondContact CA-O 3.5Å; L6-F19 HydrophobicContact CB-CB 4.2Å; L6-F19 HydrophobicContact CB-CD2 4.42Å; L6-F19 PolarHBondContact N-O 2.96Å; L6-F19 PolarHBondContact O-N 3.47Å; Q8-F19 HydrophobicContact CB-CE2 4.31Å; I17-F19 HydrophobicContact CB-CE2 4.44Å; I17-F19 HydrophobicContact CB-CZ 4.45Å; I17-F19 HydrophobicContact CG2-CD1 4.13Å; I17-F19 HydrophobicContact CG2-CD2 4.16Å; I17-F19 HydrophobicContact CG2-CE1 3.64Å; I17-F19 HydrophobicContact CG2-CE2 3.68Å; I17-F19 HydrophobicContact CG2-CG 4.38Å; I17-F19 HydrophobicContact CG2-CZ 3.41Å; I17-F19 VanDerWaalsContact CG2-CZ 3.41Å; F19-L42 HydrophobicContact CB-CD1 3.64Å; F19-L42 HydrophobicContact CB-CD2 4.38Å; F19-L42 HydrophobicContact CB-CG 4.49Å; F19-L42 HydrophobicContact CD1-CB 3.8Å; F19-L42 HydrophobicContact CD1-CD1 4.17Å; F19-L42 HydrophobicContact CD1-CD2 3.92Å; F19-L42 HydrophobicContact CD1-CG 4.18Å; F19-L42 HydrophobicContact CD2-CB 4.39Å; F19-L42 HydrophobicContact CD2-CD1 4.31Å; F19-L42 HydrophobicContact CE1-CB 3.8Å; F19-L42 WeakPolarHBondContact CE1-O 3.27Å; F19-L42 HydrophobicContact CE2-CB 4.4Å; F19-L42 HydrophobicContact CG-CB 4.09Å; F19-L42 HydrophobicContact CG-CD1 3.8Å; F19-L42 HydrophobicContact CG-CD2 4.36Å; F19-L42 HydrophobicContact CG-CG 4.31Å; F19-L42 HydrophobicContact CZ-CB 4.1Å
20I91.5Very high74.2Confident104 Ų104103.6 Ų103.653%0.53351%0.507SS..EExtended strand (participates in β ladder)trans-105.8110.3176.3-58.2178.4000108.5I3 I18I3-I20 HydrophobicContact CG2-CG2 3.81Å; I18-I20 HydrophobicContact CG2-CG1 4.4Å
21W90.8Very high75.3Confident48 Ų48105.2 Ų105.218%0.18252%0.515CS..EExtended strand (participates in β ladder)trans-108.9114.7177.4-176.323.6000110.8L4 L23 L30 I35 K38L4-W21 HydrophobicContact CB-CB 4.36Å; L4-W21 HydrophobicContact CD1-CE3 3.72Å; L4-W21 HydrophobicContact CD1-CZ3 4.05Å; L4-W21 PolarHBondContact N-O 3.1Å; L4-W21 PolarHBondContact O-N 3.16Å; W21-L23 HydrophobicContact CD2-CD2 4.02Å; W21-L23 HydrophobicContact CE3-CD2 4.42Å; W21-L23 HydrophobicContact CH2-CD2 3.97Å; W21-L23 HydrophobicContact CZ2-CD2 3.51Å; W21-L23 HydrophobicContact CZ3-CD2 4.39Å; W21-L30 HydrophobicContact CH2-CD1 3.66Å; W21-L30 HydrophobicContact CZ3-CD1 3.94Å; W21-I35 HydrophobicContact CZ3-CG1 4.31Å; W21-K38 HydrophobicContact CD2-CB 4.48Å; W21-K38 HydrophobicContact CD2-CD 4.05Å; W21-K38 HydrophobicContact CD2-CG 3.7Å; W21-K38 HydrophobicContact CE3-CB 4.12Å; W21-K38 HydrophobicContact CE3-CG 3.73Å; W21-K38 HydrophobicContact CG-CD 4.42Å; W21-K38 HydrophobicContact CG-CG 4.22Å; W21-K38 HydrophobicContact CH2-CB 3.95Å; W21-K38 HydrophobicContact CH2-CD 4.46Å; W21-K38 HydrophobicContact CH2-CG 4.14Å; W21-K38 HydrophobicContact CZ2-CB 4.32Å; W21-K38 HydrophobicContact CZ2-CD 3.99Å; W21-K38 HydrophobicContact CZ2-CG 4.11Å; W21-K38 HydrophobicContact CZ3-CB 3.84Å; W21-K38 HydrophobicContact CZ3-CG 3.96Å
22K88.7Confident76.8Confident126 Ų12697 Ų9755%0.54848%0.482SS..EExtended strand (participates in β ladder)trans-90.9112.2176.4-64.8179.2-177.6174.80109.6M1 I3 Q24M1-K22 HydrophobicContact CE-CD 4.31Å; M1-K22 HydrophobicContact SD-CB 4.1Å; M1-K22 HydrophobicContact SD-CD 4.08Å; M1-K22 HydrophobicContact SD-CG 4.32Å; I3-K22 HydrophobicContact CG1-CG 4.49Å; K22-Q24 PolarHBondContact O-N 3.03Å
23L85.1Confident78.5Confident29 Ų2994.3 Ų94.315%0.15247%0.47CS..EExtended strand (participates in β ladder)trans-81.9108.6175.1-67171.5000109.8V2 L4 W21 L30V2-L23 HydrophobicContact CB-CB 4.41Å; V2-L23 HydrophobicContact CB-CD1 4.48Å; V2-L23 PolarHBondContact N-O 3.21Å; V2-L23 PolarHBondContact O-N 3.21Å; L4-L23 HydrophobicContact CD1-CD1 3.78Å; L4-L23 HydrophobicContact CD1-CG 4.39Å; L4-L23 HydrophobicContact CD2-CD1 4.38Å; L4-L23 HydrophobicContact CG-CD1 3.88Å; L4-L23 HydrophobicContact CG-CG 4.41Å; W21-L23 HydrophobicContact CD2-CD2 4.02Å; W21-L23 HydrophobicContact CE3-CD2 4.42Å; W21-L23 HydrophobicContact CH2-CD2 3.97Å; W21-L23 HydrophobicContact CZ2-CD2 3.51Å; W21-L23 HydrophobicContact CZ3-CD2 4.39Å; L23-L30 HydrophobicContact CD1-CD2 4.23Å; L23-L30 HydrophobicContact CD2-CD1 4.4Å
24Q71.7Confident80.3Confident173 Ų17390.6 Ų90.681%0.80846%0.455SS*.  trans-85.5108.2172.8-68.9-171.1-14.400109.4K22K22-Q24 PolarHBondContact O-N 3.03Å
25K58.4Low81.6Confident166 Ų16682 Ų8272%0.72241%0.409SS*.  trans61.8123.2-176.3-67.9-176.5177.6178.80115.2T27K25-T27 HydrophobicContact CB-CG2 4.17Å; K25-T27 PolarHBondContact O-N 3.11Å
26L56.4Low82.6Confident122 Ų12281 Ų8164%0.63940%0.397SS*.THydrogen-bonded Turntrans-70.320.1172-76.5160.3000112.9V2 H28V2-L26 HydrophobicContact CG2-CD1 4.18Å; V2-L26 HydrophobicContact CG2-CG 4.43Å; L26-H28 PolarHBondContact O-N 3.42Å
27T54.5Low82.9Confident107 Ų10781.9 Ų81.966%0.65640%0.399SS*.THydrogen-bonded Turntrans-66.8-18.5-178.746.20000112K25K25-T27 HydrophobicContact CB-CG2 4.17Å; K25-T27 PolarHBondContact O-N 3.11Å
28H61.8Low83.2Confident153 Ų15382 Ų8271%0.70840%0.397SS*.SBendtrans-107.1126.8166.8-63.4-74.2000109.2L26 L30L26-H28 PolarHBondContact O-N 3.42Å; H28-L30 PolarHBondContact O-N 3.03Å; H28-L30 VanDerWaalsContact O-N 3.16Å
29I77.7Confident83.3Confident113 Ų11377.5 Ų77.558%0.57937%0.374SS*.  trans-60.5115.6168.3-62.9173.2000105.7E31 K70I29-E31 PolarHBondContact O-N 3.31Å; I29-K70 VanDerWaalsContact CG2-CE 3.43Å
30L88Confident83.3Confident17 Ų1777.3 Ų77.39%0.08937%0.374CS..  trans-63.1119177.4-178.171.2000109.2L4 W21 L23 H28 D34 I35 L69 L73L4-L30 HydrophobicContact CD1-CD2 3.77Å; W21-L30 HydrophobicContact CH2-CD1 3.66Å; W21-L30 HydrophobicContact CZ3-CD1 3.94Å; L23-L30 HydrophobicContact CD1-CD2 4.23Å; L23-L30 HydrophobicContact CD2-CD1 4.4Å; H28-L30 PolarHBondContact O-N 3.03Å; H28-L30 VanDerWaalsContact O-N 3.16Å; L30-D34 HydrophobicContact CD1-CB 3.93Å; L30-I35 HydrophobicContact CD1-CG1 4.23Å; L30-I35 HydrophobicContact CD2-CD1 3.99Å; L30-I35 HydrophobicContact CD2-CG1 4.09Å; L30-I35 HydrophobicContact CG-CD1 4.46Å; L30-I35 HydrophobicContact CG-CG1 4.2Å; L30-L69 HydrophobicContact CD2-CD2 4.41Å; L30-L69 HydrophobicContact CG-CD2 4.24Å; L30-L73 HydrophobicContact CD2-CD1 4.28Å
31E91.9Very high83.3Confident90 Ų9077.1 Ų77.142%0.42137%0.371SS..  trans-97.5157.9177-57.5-168.6158.300111.3I29 T33 D34 I35 T66I29-E31 PolarHBondContact O-N 3.31Å; E31-T33 PolarHBondContact O-N 3.4Å; E31-D34 WeakPolarHBondContact CB-OD2 3.23Å; E31-D34 PolarHBondContact N-OD2 2.99Å; E31-D34 WeakPolarHBondContact O-CB 3.19Å; E31-D34 PolarHBondContact O-N 3.16Å; E31-I35 PolarHBondContact O-N 3.32Å; E31-T66 HydrophobicContact CB-CG2 4.29Å; E31-T66 HydrophobicContact CG-CG2 4.25Å
32Y93.6Very high83.3Confident29 Ų2977.3 Ų77.311%0.11438%0.375CS..Hα-helixtrans-58-40.4177.7176.1-104.9000111.8D34 I35 L36 I52 I63 T66Y32-D34 VanDerWaalsContact C-N 3.25Å; Y32-D34 PolarHBondContact O-N 3.38Å; Y32-I35 PolarHBondContact O-N 2.91Å; Y32-L36 HydrophobicContact CD1-CD1 3.92Å; Y32-L36 HydrophobicContact CD1-CG 4.39Å; Y32-L36 HydrophobicContact CE1-CD1 3.42Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.42Å; Y32-L36 HydrophobicContact CE1-CD2 4.45Å; Y32-L36 HydrophobicContact CE1-CG 4Å; Y32-L36 PolarHBondContact O-N 2.74Å; Y32-L36 VanDerWaalsContact O-N 3.14Å; Y32-I52 HydrophobicContact CD2-CD1 4.34Å; Y32-I52 HydrophobicContact CE2-CB 4.41Å; Y32-I52 HydrophobicContact CE2-CD1 3.74Å; Y32-I52 HydrophobicContact CE2-CG1 4.25Å; Y32-I63 HydrophobicContact CD2-CG2 3.8Å; Y32-I63 HydrophobicContact CE2-CG2 4.09Å; Y32-I63 WeakPolarHBondContact CE2-O 3.47Å; Y32-T66 PolarHBondContact N-OG1 3.27Å; Y32-T66 VanDerWaalsContact N-OG1 3.1Å
33T93Very high83.3Confident64 Ų6472 Ų7239%0.39335%0.353SS..Hα-helixtrans-63.4-27.6175.846.10000113.6E31 L36 K37E31-T33 PolarHBondContact O-N 3.4Å; T33-L36 PolarHBondContact O-N 3.46Å; T33-K37 WeakPolarHBondContact O-CB 3.47Å; T33-K37 VanDerWaalsContact O-CG 3.27Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.24Å
34D92Very high83.4Confident50 Ų5076.9 Ų76.927%0.26738%0.379SS..Hα-helixtrans-70.5-38.3176.4-60.7-35.6000111L30 E31 Y32 K38L30-D34 HydrophobicContact CD1-CB 3.93Å; E31-D34 WeakPolarHBondContact CB-OD2 3.23Å; E31-D34 PolarHBondContact N-OD2 2.99Å; E31-D34 WeakPolarHBondContact O-CB 3.19Å; E31-D34 PolarHBondContact O-N 3.16Å; Y32-D34 VanDerWaalsContact C-N 3.25Å; Y32-D34 PolarHBondContact O-N 3.38Å; D34-K38 WeakPolarHBondContact O-CB 3.4Å; D34-K38 PolarHBondContact O-N 3.46Å
35I92.3Very high84.1Confident0 Ų074.4 Ų74.40%037%0.366CS..Hα-helixtrans-65-44.9174.9-55.5-179.2000110W21 L30 E31 Y32 K38 L39 I52 L69 F88W21-I35 HydrophobicContact CZ3-CG1 4.31Å; L30-I35 HydrophobicContact CD1-CG1 4.23Å; L30-I35 HydrophobicContact CD2-CD1 3.99Å; L30-I35 HydrophobicContact CD2-CG1 4.09Å; L30-I35 HydrophobicContact CG-CD1 4.46Å; L30-I35 HydrophobicContact CG-CG1 4.2Å; E31-I35 PolarHBondContact O-N 3.32Å; Y32-I35 PolarHBondContact O-N 2.91Å; I35-K38 PolarHBondContact O-N 3.26Å; I35-L39 HydrophobicContact CG2-CD1 4.05Å; I35-L39 HydrophobicContact CG2-CG 4.37Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 2.8Å; I35-I52 HydrophobicContact CB-CD1 4.22Å; I35-I52 HydrophobicContact CG2-CD1 3.66Å; I35-L69 HydrophobicContact CD1-CD1 3.55Å; I35-L69 HydrophobicContact CD1-CD2 3.6Å; I35-L69 HydrophobicContact CD1-CG 4.23Å; I35-L69 HydrophobicContact CG1-CD2 4.33Å; I35-F88 HydrophobicContact CD1-CE2 4.4Å
36L93.3Very high85.4Confident28 Ų2868.1 Ų68.115%0.14734%0.339CS..Hα-helixtrans-60.1-49.6176.8-68.8179.2000112.1Y32 T33 K38 L39 H40 Y50 I52Y32-L36 HydrophobicContact CD1-CD1 3.92Å; Y32-L36 HydrophobicContact CD1-CG 4.39Å; Y32-L36 HydrophobicContact CE1-CD1 3.42Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.42Å; Y32-L36 HydrophobicContact CE1-CD2 4.45Å; Y32-L36 HydrophobicContact CE1-CG 4Å; Y32-L36 PolarHBondContact O-N 2.74Å; Y32-L36 VanDerWaalsContact O-N 3.14Å; T33-L36 PolarHBondContact O-N 3.46Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 2.84Å; L36-L39 PolarHBondContact O-N 3.34Å; L36-L39 VanDerWaalsContact O-N 3.12Å; L36-H40 PolarHBondContact O-CD2 3.25Å; L36-H40 PolarHBondContact O-N 3.42Å; L36-Y50 HydrophobicContact CD2-CD2 4Å; L36-I52 HydrophobicContact CD2-CD1 3.99Å
37K92Very high86.9Confident127 Ų12762.7 Ų62.755%0.55231%0.309SS*.Hα-helixtrans-54.5-45.2174.6-75.4172.1-176.1173.10111.1T33 L39 H40 E41T33-K37 WeakPolarHBondContact O-CB 3.47Å; T33-K37 VanDerWaalsContact O-CG 3.27Å; T33-K37 WeakPolarHBondContact O-CG 3.37Å; T33-K37 PolarHBondContact O-N 3.24Å; K37-L39 PolarHBondContact O-N 3.35Å; K37-H40 PolarHBondContact O-N 2.74Å; K37-E41 WeakPolarHBondContact O-CG 3.17Å; K37-E41 PolarHBondContact O-N 2.92Å
38K92.2Very high88.4Confident51 Ų5162.8 Ų62.822%0.22230%0.302CS..Hα-helixtrans-64.4-40.3178.4-166.173-158.3154.10112.4W21 D34 I35 L36 E41 L42W21-K38 HydrophobicContact CD2-CB 4.48Å; W21-K38 HydrophobicContact CD2-CD 4.05Å; W21-K38 HydrophobicContact CD2-CG 3.7Å; W21-K38 HydrophobicContact CE3-CB 4.12Å; W21-K38 HydrophobicContact CE3-CG 3.73Å; W21-K38 HydrophobicContact CG-CD 4.42Å; W21-K38 HydrophobicContact CG-CG 4.22Å; W21-K38 HydrophobicContact CH2-CB 3.95Å; W21-K38 HydrophobicContact CH2-CD 4.46Å; W21-K38 HydrophobicContact CH2-CG 4.14Å; W21-K38 HydrophobicContact CZ2-CB 4.32Å; W21-K38 HydrophobicContact CZ2-CD 3.99Å; W21-K38 HydrophobicContact CZ2-CG 4.11Å; W21-K38 HydrophobicContact CZ3-CB 3.84Å; W21-K38 HydrophobicContact CZ3-CG 3.96Å; D34-K38 WeakPolarHBondContact O-CB 3.4Å; D34-K38 PolarHBondContact O-N 3.46Å; I35-K38 PolarHBondContact O-N 3.26Å; L36-K38 VanDerWaalsContact C-N 3.26Å; L36-K38 PolarHBondContact O-N 2.84Å; K38-E41 IonicContact NZ-OE2 2.74Å; K38-E41 PolarHBondContact NZ-OE2 2.94Å; K38-E41 PolarHBondContact O-N 3.14Å; K38-L42 HydrophobicContact CG-CD1 3.8Å; K38-L42 HydrophobicContact CG-CG 4.27Å; K38-L42 WeakPolarHBondContact O-CB 3.43Å; K38-L42 WeakPolarHBondContact O-CD1 3.2Å; K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 3.27Å
39L92.6Very high89.7Confident0 Ų058.7 Ų58.70%029%0.286CS..Hα-helixtrans-64.2-40176.3-74.6168.8000112L6 I35 L36 K37 L42 N43 Y50 I52 I90L6-L39 HydrophobicContact CB-CD2 4.28Å; L6-L39 HydrophobicContact CD1-CD2 3.69Å; L6-L39 HydrophobicContact CD1-CG 4.23Å; I35-L39 HydrophobicContact CG2-CD1 4.05Å; I35-L39 HydrophobicContact CG2-CG 4.37Å; I35-L39 WeakPolarHBondContact O-CG 3.37Å; I35-L39 PolarHBondContact O-N 2.8Å; L36-L39 PolarHBondContact O-N 3.34Å; L36-L39 VanDerWaalsContact O-N 3.12Å; K37-L39 PolarHBondContact O-N 3.35Å; L39-L42 PolarHBondContact O-N 2.84Å; L39-N43 VanDerWaalsContact O-CB 3.32Å; L39-N43 WeakPolarHBondContact O-CB 3.3Å; L39-N43 PolarHBondContact O-N 2.82Å; L39-N43 PolarHBondContact O-ND2 2.84Å; L39-Y50 HydrophobicContact CB-CD1 4.42Å; L39-Y50 HydrophobicContact CB-CD2 3.88Å; L39-Y50 HydrophobicContact CB-CE1 4.14Å; L39-Y50 HydrophobicContact CB-CE2 3.55Å; L39-Y50 HydrophobicContact CB-CG 4.3Å; L39-Y50 HydrophobicContact CD1-CD1 4.28Å; L39-Y50 HydrophobicContact CD1-CD2 3.99Å; L39-Y50 HydrophobicContact CD1-CG 3.86Å; L39-Y50 PolarHBondContact O-OH 3.48Å; L39-I52 HydrophobicContact CD1-CD1 3.91Å; L39-I52 HydrophobicContact CD1-CG1 4.28Å; L39-I90 HydrophobicContact CD1-CD1 3.91Å; L39-I90 HydrophobicContact CD1-CG1 4.41Å; L39-I90 HydrophobicContact CD1-CG2 4.01Å; L39-I90 HydrophobicContact CD2-CD1 4.32Å; L39-I90 HydrophobicContact CD2-CG1 4.03Å; L39-I90 HydrophobicContact CD2-CG2 4.07Å
40H92Very high90.3Very high26 Ų2653.4 Ų53.412%0.1226%0.259CS..Hα-helixtrans-61.6-48173.1-70.5-55.3000111.5L36 K37 L42 N43 N44 F45 Y47 Q48 Y50L36-H40 PolarHBondContact O-CD2 3.25Å; L36-H40 PolarHBondContact O-N 3.42Å; K37-H40 PolarHBondContact O-N 2.74Å; H40-L42 PolarHBondContact O-N 3.06Å; H40-N43 CarbonylContact O-C 3.53Å; H40-N43 PolarHBondContact O-N 3.41Å; H40-N44 PolarHBondContact O-N 3.36Å; H40-N44 VanDerWaalsContact O-N 3.11Å; H40-F45 HydrophobicContact CB-CD1 3.77Å; H40-F45 HydrophobicContact CB-CE1 3.77Å; H40-F45 HydrophobicContact CB-CG 4.4Å; H40-F45 HydrophobicContact CB-CZ 4.4Å; H40-F45 PolarHBondContact O-N 3.31Å; H40-Y47 PolarHBondContact CE1-O 2.96Å; H40-Y47 PolarHBondContact ND1-O 3.17Å; H40-Q48 PolarHBondContact CE1-O 3Å; H40-Q48 VanDerWaalsContact CE1-O 3.27Å; H40-Y50 AromaticContact CE1-CE2 3.49Å; H40-Y50 VanDerWaalsContact CE1-CE2 3.49Å; H40-Y50 WeakPolarHBondContact CE1-CE2 3.44Å; H40-Y50 AromaticContact ND1-CE2 3.5Å; H40-Y50 WeakPolarHBondContact ND1-CE2 3.45Å
41E90.9Very high90.5Very high100 Ų10054.4 Ų54.447%0.46726%0.264SS..Hα-helixtrans-57.2-49.2175.3-71.5173.6-17100111.8K37 K38 N43 N44K37-E41 WeakPolarHBondContact O-CG 3.17Å; K37-E41 PolarHBondContact O-N 2.92Å; K38-E41 IonicContact NZ-OE2 2.74Å; K38-E41 PolarHBondContact NZ-OE2 2.94Å; K38-E41 PolarHBondContact O-N 3.14Å; E41-N43 VanDerWaalsContact C-N 3.29Å; E41-N43 PolarHBondContact O-N 3.12Å; E41-N44 PolarHBondContact O-N 2.96Å
42L91.1Very high90.7Very high53 Ų5350.1 Ų50.128%0.27724%0.244SC..Hα-helixtrans-66.2-29.9-176.6-72.6167.8000113.1L6 F19 K38 L39 H40L6-L42 HydrophobicContact CD1-CD1 3.99Å; F19-L42 HydrophobicContact CB-CD1 3.64Å; F19-L42 HydrophobicContact CB-CD2 4.38Å; F19-L42 HydrophobicContact CB-CG 4.49Å; F19-L42 HydrophobicContact CD1-CB 3.8Å; F19-L42 HydrophobicContact CD1-CD1 4.17Å; F19-L42 HydrophobicContact CD1-CD2 3.92Å; F19-L42 HydrophobicContact CD1-CG 4.18Å; F19-L42 HydrophobicContact CD2-CB 4.39Å; F19-L42 HydrophobicContact CD2-CD1 4.31Å; F19-L42 HydrophobicContact CE1-CB 3.8Å; F19-L42 WeakPolarHBondContact CE1-O 3.27Å; F19-L42 HydrophobicContact CE2-CB 4.4Å; F19-L42 HydrophobicContact CG-CB 4.09Å; F19-L42 HydrophobicContact CG-CD1 3.8Å; F19-L42 HydrophobicContact CG-CD2 4.36Å; F19-L42 HydrophobicContact CG-CG 4.31Å; F19-L42 HydrophobicContact CZ-CB 4.1Å; K38-L42 HydrophobicContact CG-CD1 3.8Å; K38-L42 HydrophobicContact CG-CG 4.27Å; K38-L42 WeakPolarHBondContact O-CB 3.43Å; K38-L42 WeakPolarHBondContact O-CD1 3.2Å; K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 3.27Å; L39-L42 PolarHBondContact O-N 2.84Å; H40-L42 PolarHBondContact O-N 3.06Å
43N88.4Confident90.7Very high15 Ų1550.9 Ų50.98%0.0825%0.248CC..THydrogen-bonded Turntrans-96.310.8177.2-75.7-74.8000113.3Q8 L39 H40 E41 F45 K46 Y47 Y50Q8-N43 PolarHBondContact NE2-OD1 3.39Å; Q8-N43 PolarHBondContact OE1-ND2 3.06Å; Q8-N43 PolarHBondContact OE1-OD1 3.01Å; L39-N43 VanDerWaalsContact O-CB 3.32Å; L39-N43 WeakPolarHBondContact O-CB 3.3Å; L39-N43 PolarHBondContact O-N 2.82Å; L39-N43 PolarHBondContact O-ND2 2.84Å; H40-N43 CarbonylContact O-C 3.53Å; H40-N43 PolarHBondContact O-N 3.41Å; E41-N43 VanDerWaalsContact C-N 3.29Å; E41-N43 PolarHBondContact O-N 3.12Å; N43-F45 PolarHBondContact O-N 3.5Å; N43-K46 HydrophobicContact CB-CB 4.45Å; N43-K46 WeakPolarHBondContact O-CB 3.32Å; N43-K46 PolarHBondContact O-N 3.14Å; N43-K46 VanDerWaalsContact O-N 3.08Å; N43-Y47 HydrophobicContact CB-CD2 3.98Å; N43-Y47 HydrophobicContact CB-CE2 4.27Å; N43-Y47 WeakPolarHBondContact OD1-CE2 3.35Å; N43-Y50 PolarHBondContact ND2-OH 2.88Å
44N88Confident90.8Very high130 Ų13049.1 Ų49.170%0.69524%0.235SC*.THydrogen-bonded Turntrans50.540.6-174.9-61.8-31.1000113.1H40 E41 K46H40-N44 PolarHBondContact O-N 3.36Å; H40-N44 VanDerWaalsContact O-N 3.11Å; E41-N44 PolarHBondContact O-N 2.96Å; N44-K46 PolarHBondContact O-N 2.85Å; N44-K46 VanDerWaalsContact O-N 3.13Å
45F86.3Confident90.7Very high122 Ų12250 Ų5054%0.53524%0.239SC..THydrogen-bonded Turntrans56.429.8179.7-57.2-97.2000113.6H40 N43 Y47 Y96H40-F45 HydrophobicContact CB-CD1 3.77Å; H40-F45 HydrophobicContact CB-CE1 3.77Å; H40-F45 HydrophobicContact CB-CG 4.4Å; H40-F45 HydrophobicContact CB-CZ 4.4Å; H40-F45 PolarHBondContact O-N 3.31Å; N43-F45 PolarHBondContact O-N 3.5Å; F45-Y47 VanDerWaalsContact C-N 3.31Å; F45-Y47 PolarHBondContact O-N 3.23Å; F45-Y96 WeakPolarHBondContact O-CD2 3.46Å
46K85.3Confident90.6Very high34 Ų3452.4 Ų52.415%0.14825%0.25CS..  trans-65.7-32.6177-178.1173.5175.7178.90113.2N43 N44 Y95 Y96N43-K46 HydrophobicContact CB-CB 4.45Å; N43-K46 WeakPolarHBondContact O-CB 3.32Å; N43-K46 PolarHBondContact O-N 3.14Å; N43-K46 VanDerWaalsContact O-N 3.08Å; N44-K46 PolarHBondContact O-N 2.85Å; N44-K46 VanDerWaalsContact O-N 3.13Å; K46-Y95 HydrophobicContact CD-CE1 4.5Å; K46-Y95 HydrophobicContact CG-CD1 4.09Å; K46-Y95 HydrophobicContact CG-CE1 4.18Å; K46-Y96 PolarHBondContact O-N 2.81Å; K46-Y96 VanDerWaalsContact O-N 3.14Å
47Y87Confident90.3Very high7 Ų756.8 Ų56.83%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-121.2140.4-173.3-50.1-74.6000111.7H40 N43 F45 Y50 P92 S94 Y95 Y96H40-Y47 PolarHBondContact CE1-O 2.96Å; H40-Y47 PolarHBondContact ND1-O 3.17Å; N43-Y47 HydrophobicContact CB-CD2 3.98Å; N43-Y47 HydrophobicContact CB-CE2 4.27Å; N43-Y47 WeakPolarHBondContact OD1-CE2 3.35Å; F45-Y47 VanDerWaalsContact C-N 3.31Å; F45-Y47 PolarHBondContact O-N 3.23Å; Y47-Y50 AromaticContact CD2-CE1 3.84Å; Y47-Y50 HydrophobicContact CD2-CE1 3.84Å; Y47-Y50 HydrophobicContact CG-CE1 4.21Å; Y47-P92 HydrophobicContact CD1-CB 3.39Å; Y47-P92 HydrophobicContact CD1-CG 4.21Å; Y47-P92 HydrophobicContact CD2-CB 3.84Å; Y47-P92 HydrophobicContact CD2-CG 3.98Å; Y47-P92 HydrophobicContact CE1-CB 3.65Å; Y47-P92 HydrophobicContact CE1-CG 4.07Å; Y47-P92 HydrophobicContact CE2-CB 4.08Å; Y47-P92 HydrophobicContact CE2-CG 3.84Å; Y47-P92 HydrophobicContact CG-CB 3.49Å; Y47-P92 VanDerWaalsContact CG-CB 3.49Å; Y47-P92 HydrophobicContact CG-CG 4.15Å; Y47-S94 CarbonylContact C-O 3.58Å; Y47-S94 VanDerWaalsContact CA-O 3.23Å; Y47-S94 WeakPolarHBondContact CA-O 3.17Å; Y47-Y95 HydrophobicContact CD1-CD1 4.01Å; Y47-Y95 HydrophobicContact CD1-CE1 4.07Å; Y47-Y95 HydrophobicContact CD1-CG 4.38Å; Y47-Y95 AromaticContact CE1-CD1 3.82Å; Y47-Y95 HydrophobicContact CE1-CD1 3.82Å; Y47-Y95 AromaticContact CE1-CE1 3.4Å; Y47-Y95 HydrophobicContact CE1-CE1 3.4Å; Y47-Y95 HydrophobicContact CE1-CE2 4.32Å; Y47-Y95 HydrophobicContact CE1-CG 4.46Å; Y47-Y95 AromaticContact CE1-CZ 3.66Å; Y47-Y96 VanDerWaalsContact C-CE2 3.49Å; Y47-Y96 VanDerWaalsContact O-CD2 3.3Å; Y47-Y96 WeakPolarHBondContact O-CD2 3.33Å; Y47-Y96 WeakPolarHBondContact O-CE2 3.28Å
48Q86.3Confident90Very high109 Ų10959.1 Ų59.151%0.50929%0.286SS..EExtended strand (participates in β ladder)trans-79.8-34.1-178.1178.1-173.16.800112.5H40 S94 Y96H40-Q48 PolarHBondContact CE1-O 3Å; H40-Q48 VanDerWaalsContact CE1-O 3.27Å; Q48-S94 WeakPolarHBondContact CB-OG 3.45Å; Q48-S94 PolarHBondContact N-O 2.9Å; Q48-S94 PolarHBondContact OE1-OG 3.31Å; Q48-Y96 VanDerWaalsContact CA-CE2 3.42Å; Q48-Y96 HydrophobicContact CB-CD1 4.34Å; Q48-Y96 HydrophobicContact CB-CD2 4.17Å; Q48-Y96 HydrophobicContact CB-CE1 4.28Å; Q48-Y96 HydrophobicContact CB-CE2 4.17Å; Q48-Y96 HydrophobicContact CB-CG 4.29Å; Q48-Y96 HydrophobicContact CG-CE1 4.27Å
49D89Confident90Very high67 Ų6761 Ų6136%0.35830%0.299SS..EExtended strand (participates in β ladder)trans-150.4162.4-178.5-156.4-0.6000111.7L93D49-L93 HydrophobicContact CB-CB 4.34Å; D49-L93 HydrophobicContact CB-CD1 4.19Å; D49-L93 PolarHBondContact O-N 2.95Å
50Y91.9Very high90Very high3 Ų364.7 Ų64.71%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-137.9131.4-174.2-54.9-85.1000111L36 L39 H40 N43 Y47 I90 T91 P92L36-Y50 HydrophobicContact CD2-CD2 4Å; L39-Y50 HydrophobicContact CB-CD1 4.42Å; L39-Y50 HydrophobicContact CB-CD2 3.88Å; L39-Y50 HydrophobicContact CB-CE1 4.14Å; L39-Y50 HydrophobicContact CB-CE2 3.55Å; L39-Y50 HydrophobicContact CB-CG 4.3Å; L39-Y50 HydrophobicContact CD1-CD1 4.28Å; L39-Y50 HydrophobicContact CD1-CD2 3.99Å; L39-Y50 HydrophobicContact CD1-CG 3.86Å; L39-Y50 PolarHBondContact O-OH 3.48Å; H40-Y50 AromaticContact CE1-CE2 3.49Å; H40-Y50 VanDerWaalsContact CE1-CE2 3.49Å; H40-Y50 WeakPolarHBondContact CE1-CE2 3.44Å; H40-Y50 AromaticContact ND1-CE2 3.5Å; H40-Y50 WeakPolarHBondContact ND1-CE2 3.45Å; N43-Y50 PolarHBondContact ND2-OH 2.88Å; Y47-Y50 AromaticContact CD2-CE1 3.84Å; Y47-Y50 HydrophobicContact CD2-CE1 3.84Å; Y47-Y50 HydrophobicContact CG-CE1 4.21Å; Y50-I90 HydrophobicContact CD1-CG2 3.63Å; Y50-I90 HydrophobicContact CE1-CG2 4.5Å; Y50-I90 HydrophobicContact CG-CG2 4.17Å; Y50-T91 WeakPolarHBondContact CA-O 3.27Å; Y50-P92 HydrophobicContact CD1-CB 4.37Å; Y50-P92 HydrophobicContact CD1-CG 4.43Å; Y50-P92 HydrophobicContact CE1-CB 4.49Å
51I92.4Very high90.1Very high38 Ų3868.6 Ų68.620%0.19533%0.331CS..EExtended strand (participates in β ladder)trans-77.3126.4157.2-59.4176.6000107.2E53 Q62 I90 T91 L93I51-E53 HydrophobicContact CG2-CG 3.67Å; I51-Q62 HydrophobicContact CG2-CG 3.91Å; I51-I90 WeakPolarHBondContact O-CA 3.34Å; I51-T91 PolarHBondContact N-O 3.33Å; I51-T91 PolarHBondContact O-N 3.36Å; I51-L93 HydrophobicContact CD1-CD2 3.56Å; I51-L93 HydrophobicContact CD1-CG 4.37Å; I51-L93 HydrophobicContact CG1-CD1 3.94Å; I51-L93 HydrophobicContact CG1-CD2 3.58Å; I51-L93 HydrophobicContact CG1-CG 3.83Å
52I94.7Very high90.4Very high0 Ų068.7 Ų68.70%033%0.332CS..EExtended strand (participates in β ladder)trans-110.4123.2174.1-53.1-172.9000107.8Y32 I35 L36 L39 Q62 I63 F88 I90Y32-I52 HydrophobicContact CD2-CD1 4.34Å; Y32-I52 HydrophobicContact CE2-CB 4.41Å; Y32-I52 HydrophobicContact CE2-CD1 3.74Å; Y32-I52 HydrophobicContact CE2-CG1 4.25Å; I35-I52 HydrophobicContact CB-CD1 4.22Å; I35-I52 HydrophobicContact CG2-CD1 3.66Å; L36-I52 HydrophobicContact CD2-CD1 3.99Å; L39-I52 HydrophobicContact CD1-CD1 3.91Å; L39-I52 HydrophobicContact CD1-CG1 4.28Å; I52-Q62 CarbonylContact O-C 3.58Å; I52-Q62 WeakPolarHBondContact O-CA 3.36Å; I52-I63 HydrophobicContact CG2-CD1 4.41Å; I52-I63 PolarHBondContact O-N 2.76Å; I52-F88 HydrophobicContact CG2-CB 4.21Å; I52-F88 HydrophobicContact CG2-CD1 4.22Å; I52-F88 HydrophobicContact CG2-CG 4.33Å; I52-I90 HydrophobicContact CB-CD1 4.21Å; I52-I90 HydrophobicContact CG1-CD1 3.94Å; I52-I90 HydrophobicContact CG2-CD1 3.88Å
53E94.8Very high90.6Very high45 Ų4566.1 Ų66.121%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-125.4154.7180-53.5177.7105.700111.4I51 M60 Y61 F88 H89I51-E53 HydrophobicContact CG2-CG 3.67Å; E53-M60 HydrophobicContact CB-CE 3.93Å; E53-Y61 CarbonylContact C-O 3.56Å; E53-Y61 WeakPolarHBondContact CA-O 3.42Å; E53-F88 CarbonylContact O-C 3.54Å; E53-F88 WeakPolarHBondContact O-CA 3.23Å; E53-H89 HydrophobicContact CB-CB 4.31Å; E53-H89 PolarHBondContact N-O 3.46Å; E53-H89 PolarHBondContact O-N 2.86Å
54W94.1Very high90.9Very high27 Ų2768.8 Ų68.810%0.10234%0.335CS..EExtended strand (participates in β ladder)trans-130.6152.3170.369.8-67.4000110.6H56 M60 Y61 I63 A72 E75 L76 F88W54-H56 HydrophobicContact CD2-CB 4.35Å; W54-H56 HydrophobicContact CE3-CB 3.88Å; W54-H56 HydrophobicContact CH2-CB 3.48Å; W54-H56 VanDerWaalsContact CH2-CB 3.48Å; W54-H56 AromaticContact CH2-CD2 3.69Å; W54-H56 AromaticContact CH2-CG 3.47Å; W54-H56 VanDerWaalsContact CH2-CG 3.47Å; W54-H56 HydrophobicContact CZ2-CB 3.95Å; W54-H56 HydrophobicContact CZ3-CB 3.45Å; W54-H56 VanDerWaalsContact CZ3-CB 3.45Å; W54-H56 AromaticContact CZ3-CD2 3.75Å; W54-H56 AromaticContact CZ3-CG 3.73Å; W54-M60 WeakPolarHBondContact O-CA 3.19Å; W54-Y61 PolarHBondContact N-O 3.14Å; W54-Y61 PolarHBondContact O-N 2.81Å; W54-I63 HydrophobicContact CB-CD1 4.44Å; W54-I63 HydrophobicContact CG-CD1 4.27Å; W54-A72 HydrophobicContact CD2-CB 3.66Å; W54-A72 HydrophobicContact CE3-CB 4.24Å; W54-A72 HydrophobicContact CG-CB 3.85Å; W54-A72 HydrophobicContact CZ2-CB 4.06Å; W54-E75 HydrophobicContact CH2-CB 3.79Å; W54-E75 HydrophobicContact CH2-CG 4.05Å; W54-E75 HydrophobicContact CZ3-CB 3.65Å; W54-E75 HydrophobicContact CZ3-CG 4.41Å; W54-L76 HydrophobicContact CB-CD1 3.96Å; W54-L76 HydrophobicContact CD2-CD1 4.35Å; W54-L76 HydrophobicContact CE3-CD1 3.98Å; W54-L76 HydrophobicContact CE3-CD2 3.93Å; W54-L76 HydrophobicContact CE3-CG 3.72Å; W54-L76 HydrophobicContact CG-CD1 4.39Å; W54-L76 HydrophobicContact CZ3-CG 4.25Å; W54-F88 HydrophobicContact CB-CD1 4.03Å; W54-F88 HydrophobicContact CB-CE1 4.16Å
55N90.8Very high91.2Very high69 Ų6965.3 Ų65.337%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-91.3123.3177.8-169.5-58.9000110.1H58 N59 M60N55-H58 PolarHBondContact OD1-N 2.74Å; N55-N59 WeakPolarHBondContact CA-O 3.5Å; N55-M60 HydrophobicContact CB-SD 3.98Å
56H88.9Confident91.6Very high50 Ų5061.1 Ų61.123%0.23130%0.301CS..EExtended strand (participates in β ladder)trans-132.6120.1173-176.3-124.4000109.7W54 H58 N59 Y61W54-H56 HydrophobicContact CD2-CB 4.35Å; W54-H56 HydrophobicContact CE3-CB 3.88Å; W54-H56 HydrophobicContact CH2-CB 3.48Å; W54-H56 VanDerWaalsContact CH2-CB 3.48Å; W54-H56 AromaticContact CH2-CD2 3.69Å; W54-H56 AromaticContact CH2-CG 3.47Å; W54-H56 VanDerWaalsContact CH2-CG 3.47Å; W54-H56 HydrophobicContact CZ2-CB 3.95Å; W54-H56 HydrophobicContact CZ3-CB 3.45Å; W54-H56 VanDerWaalsContact CZ3-CB 3.45Å; W54-H56 AromaticContact CZ3-CD2 3.75Å; W54-H56 AromaticContact CZ3-CG 3.73Å; H56-H58 VanDerWaalsContact C-N 3.28Å; H56-H58 PolarHBondContact O-N 2.79Å; H56-N59 PolarHBondContact N-O 3.21Å; H56-N59 PolarHBondContact O-N 2.93Å; H56-Y61 HydrophobicContact CB-CD2 3.71Å; H56-Y61 HydrophobicContact CB-CE2 3.73Å
57N87.2Confident92.1Very high119 Ų11966.1 Ų66.164%0.63633%0.325SS*.THydrogen-bonded Turntrans48.747.7-179.5-61.7-21.7000113N59N57-N59 PolarHBondContact O-N 2.93Å; N57-N59 PolarHBondContact O-ND2 2.82Å
58H85.9Confident92.4Very high177 Ų17769.1 Ų69.182%0.81934%0.339SS*.THydrogen-bonded Turntrans683.7-178.9-53-80.5000116.2N55 H56N55-H58 PolarHBondContact OD1-N 2.74Å; H56-H58 VanDerWaalsContact C-N 3.28Å; H56-H58 PolarHBondContact O-N 2.79Å
59N91.9Very high92.8Very high91 Ų9163.9 Ų63.949%0.48732%0.315SS..EExtended strand (participates in β ladder)trans-106.6143.9174.6-64.4-59.7000110.6N55 H56 N57 Y61N55-N59 WeakPolarHBondContact CA-O 3.5Å; H56-N59 PolarHBondContact N-O 3.21Å; H56-N59 PolarHBondContact O-N 2.93Å; N57-N59 PolarHBondContact O-N 2.93Å; N57-N59 PolarHBondContact O-ND2 2.82Å; N59-Y61 HydrophobicContact CB-CD2 4.32Å; N59-Y61 HydrophobicContact CB-CE2 3.59Å
60M92.6Very high93Very high76 Ų7665.1 Ų65.137%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-90.3127.6174.8-62.3-64.9-82.700108.8E53 W54 N55 H89E53-M60 HydrophobicContact CB-CE 3.93Å; W54-M60 WeakPolarHBondContact O-CA 3.19Å; N55-M60 HydrophobicContact CB-SD 3.98Å; M60-H89 HydrophobicContact CE-CB 3.53Å; M60-H89 WeakPolarHBondContact CE-CD2 3.49Å
61Y94.8Very high92.9Very high108 Ų10868.6 Ų68.642%0.42434%0.336SS..EExtended strand (participates in β ladder)trans-119.2129.8177.1-68.4-89.4000109.4E53 W54 H56 N59E53-Y61 CarbonylContact C-O 3.56Å; E53-Y61 WeakPolarHBondContact CA-O 3.42Å; W54-Y61 PolarHBondContact N-O 3.14Å; W54-Y61 PolarHBondContact O-N 2.81Å; H56-Y61 HydrophobicContact CB-CD2 3.71Å; H56-Y61 HydrophobicContact CB-CE2 3.73Å; N59-Y61 HydrophobicContact CB-CD2 4.32Å; N59-Y61 HydrophobicContact CB-CE2 3.59Å
62Q96.1Very high93Very high102 Ų10266.8 Ų66.848%0.47733%0.327SS..EExtended strand (participates in β ladder)trans-75.6143.7175.2-174.4173.3-9.400110.9I51 I52 T64I51-Q62 HydrophobicContact CG2-CG 3.91Å; I52-Q62 CarbonylContact O-C 3.58Å; I52-Q62 WeakPolarHBondContact O-CA 3.36Å; Q62-T64 HydrophobicContact CG-CG2 4Å
63I95.6Very high92.8Very high0 Ų068.5 Ų68.50%034%0.336CS..EExtended strand (participates in β ladder)trans-109.9122.3171.6-57.6172.8000107.2Y32 I52 W54 E68 L69 A72 F88Y32-I63 HydrophobicContact CD2-CG2 3.8Å; Y32-I63 HydrophobicContact CE2-CG2 4.09Å; Y32-I63 WeakPolarHBondContact CE2-O 3.47Å; I52-I63 HydrophobicContact CG2-CD1 4.41Å; I52-I63 PolarHBondContact O-N 2.76Å; W54-I63 HydrophobicContact CB-CD1 4.44Å; W54-I63 HydrophobicContact CG-CD1 4.27Å; I63-E68 HydrophobicContact CG2-CB 4.06Å; I63-L69 HydrophobicContact CD1-CD1 4.16Å; I63-L69 HydrophobicContact CG2-CB 3.84Å; I63-A72 HydrophobicContact CD1-CB 3.74Å; I63-A72 HydrophobicContact CG1-CB 4.38Å; I63-F88 HydrophobicContact CD1-CD1 3.99Å; I63-F88 HydrophobicContact CD1-CE1 3.57Å
64T94.7Very high92.4Very high71 Ų7172.8 Ų72.844%0.43635%0.354SS..  trans-116.2-13.7-176.665.60000112.9Q62 E68Q62-T64 HydrophobicContact CG-CG2 4Å; T64-E68 PolarHBondContact N-OE2 2.95Å; T64-E68 PolarHBondContact OG1-OE1 3.27Å; T64-E68 PolarHBondContact OG1-OE2 3.43Å
65N95.5Very high92.1Very high56 Ų5674.4 Ų74.430%0.29936%0.362SS..SBendtrans-153.6170.9-175.861.966.5000112.6E67 E68 L69N65-E67 VanDerWaalsContact C-N 3.31Å; N65-E67 PolarHBondContact O-N 3.14Å; N65-E67 WeakPolarHBondContact OD1-CB 3.05Å; N65-E67 PolarHBondContact OD1-N 2.99Å; N65-E68 PolarHBondContact ND2-OE1 2.96Å; N65-E68 PolarHBondContact OD1-N 2.78Å; N65-L69 PolarHBondContact O-N 3.17Å
66T94.6Very high92Very high35 Ų3571.7 Ų71.722%0.21535%0.348CS..Hα-helixtrans-66.9-27.6-177.6-64.40000113.3E31 Y32 K70E31-T66 HydrophobicContact CB-CG2 4.29Å; E31-T66 HydrophobicContact CG-CG2 4.25Å; Y32-T66 PolarHBondContact N-OG1 3.27Å; Y32-T66 VanDerWaalsContact N-OG1 3.1Å; T66-K70 HydrophobicContact CG2-CD 4.28Å; T66-K70 VanDerWaalsContact O-CG 3.27Å; T66-K70 WeakPolarHBondContact O-CG 3.49Å; T66-K70 PolarHBondContact O-N 3.2Å
67E94.3Very high91.7Very high138 Ų13875.2 Ų75.265%0.64536%0.36SS*.Hα-helixtrans-71.2-47.6178.1-176.5174.6-178.900111.3N65 L69 K70 N71N65-E67 VanDerWaalsContact C-N 3.31Å; N65-E67 PolarHBondContact O-N 3.14Å; N65-E67 WeakPolarHBondContact OD1-CB 3.05Å; N65-E67 PolarHBondContact OD1-N 2.99Å; E67-L69 VanDerWaalsContact C-N 3.29Å; E67-L69 PolarHBondContact O-N 3.22Å; E67-K70 WeakPolarHBondContact O-CB 3.01Å; E67-K70 PolarHBondContact O-N 2.91Å; E67-K70 VanDerWaalsContact O-N 3.16Å; E67-N71 PolarHBondContact O-N 3.11Å; E67-N71 PolarHBondContact O-ND2 3.43Å
68E94.8Very high91.4Very high70 Ų7077.4 Ų77.433%0.32736%0.359SS..Hα-helixtrans-58.5-41.8172.5-74.4168.7-164.800111.5I63 T64 N65 K70 N71 A72I63-E68 HydrophobicContact CG2-CB 4.06Å; T64-E68 PolarHBondContact N-OE2 2.95Å; T64-E68 PolarHBondContact OG1-OE1 3.27Å; T64-E68 PolarHBondContact OG1-OE2 3.43Å; N65-E68 PolarHBondContact ND2-OE1 2.96Å; N65-E68 PolarHBondContact OD1-N 2.78Å; E68-K70 PolarHBondContact O-N 2.88Å; E68-N71 PolarHBondContact O-N 3.36Å; E68-A72 WeakPolarHBondContact O-CB 3.5Å; E68-A72 PolarHBondContact O-N 2.83Å
69L94.5Very high91Very high0 Ų073 Ų730%034%0.342CS..Hα-helixtrans-59.2-46.3174.9177.661.6000111.5L30 I35 I63 N65 E67 N71 A72 L73 F88L30-L69 HydrophobicContact CD2-CD2 4.41Å; L30-L69 HydrophobicContact CG-CD2 4.24Å; I35-L69 HydrophobicContact CD1-CD1 3.55Å; I35-L69 HydrophobicContact CD1-CD2 3.6Å; I35-L69 HydrophobicContact CD1-CG 4.23Å; I35-L69 HydrophobicContact CG1-CD2 4.33Å; I63-L69 HydrophobicContact CD1-CD1 4.16Å; I63-L69 HydrophobicContact CG2-CB 3.84Å; N65-L69 PolarHBondContact O-N 3.17Å; E67-L69 VanDerWaalsContact C-N 3.29Å; E67-L69 PolarHBondContact O-N 3.22Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 3.46Å; L69-A72 PolarHBondContact O-N 2.89Å; L69-L73 HydrophobicContact CD1-CD1 4.08Å; L69-L73 HydrophobicContact CD1-CG 4.02Å; L69-L73 HydrophobicContact CG-CD1 3.92Å; L69-L73 HydrophobicContact CG-CG 4.31Å; L69-L73 WeakPolarHBondContact O-CB 3.3Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 2.8Å; L69-F88 HydrophobicContact CD1-CE1 4.26Å; L69-F88 HydrophobicContact CD1-CZ 3.8Å
70K92Very high90.5Very high92 Ų9270.1 Ų70.140%0.432%0.324SS..Hα-helixtrans-60.8-40177.9-75.9168.6179.5173.90111.5I29 T66 E67 E68 K74I29-K70 VanDerWaalsContact CG2-CE 3.43Å; T66-K70 HydrophobicContact CG2-CD 4.28Å; T66-K70 VanDerWaalsContact O-CG 3.27Å; T66-K70 WeakPolarHBondContact O-CG 3.49Å; T66-K70 PolarHBondContact O-N 3.2Å; E67-K70 WeakPolarHBondContact O-CB 3.01Å; E67-K70 PolarHBondContact O-N 2.91Å; E67-K70 VanDerWaalsContact O-N 3.16Å; E68-K70 PolarHBondContact O-N 2.88Å; K70-K74 WeakPolarHBondContact O-CG 3.32Å; K70-K74 PolarHBondContact O-N 2.87Å; K70-K74 VanDerWaalsContact O-N 3.11Å
71N91.6Very high89.7Confident76 Ų7672.1 Ų72.141%0.40634%0.335SS..Hα-helixtrans-68.5-45.2177.5-69.3-25.4000111.7E67 E68 L69 L73 K74 E75E67-N71 PolarHBondContact O-N 3.11Å; E67-N71 PolarHBondContact O-ND2 3.43Å; E68-N71 PolarHBondContact O-N 3.36Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 3.46Å; N71-L73 VanDerWaalsContact C-N 3.33Å; N71-L73 PolarHBondContact O-N 3.36Å; N71-K74 WeakPolarHBondContact O-CB 3.33Å; N71-K74 PolarHBondContact O-N 2.98Å; N71-E75 PolarHBondContact O-N 2.97Å
72A92.6Very high89Confident1 Ų175.4 Ų75.41%0.00835%0.352CS..Hα-helixtrans-58.4-44.5173.900000111.6W54 I63 E68 L69 K74 E75 L76W54-A72 HydrophobicContact CD2-CB 3.66Å; W54-A72 HydrophobicContact CE3-CB 4.24Å; W54-A72 HydrophobicContact CG-CB 3.85Å; W54-A72 HydrophobicContact CZ2-CB 4.06Å; I63-A72 HydrophobicContact CD1-CB 3.74Å; I63-A72 HydrophobicContact CG1-CB 4.38Å; E68-A72 WeakPolarHBondContact O-CB 3.5Å; E68-A72 PolarHBondContact O-N 2.83Å; L69-A72 PolarHBondContact O-N 2.89Å; A72-K74 PolarHBondContact O-N 2.97Å; A72-E75 PolarHBondContact O-N 3.18Å; A72-L76 HydrophobicContact CB-CD1 4.28Å; A72-L76 VanDerWaalsContact O-CB 3.3Å; A72-L76 WeakPolarHBondContact O-CB 3.45Å; A72-L76 WeakPolarHBondContact O-CD1 3.23Å; A72-L76 WeakPolarHBondContact O-CG 3.31Å; A72-L76 PolarHBondContact O-N 2.88Å
73L90.6Very high88.2Confident35 Ų3574.1 Ų74.118%0.18335%0.348CS..Hα-helixtrans-63-37.5178.3-73.8172.7000112.6L30 L69 N71 E75 Y77 I86 F88L30-L73 HydrophobicContact CD2-CD1 4.28Å; L69-L73 HydrophobicContact CD1-CD1 4.08Å; L69-L73 HydrophobicContact CD1-CG 4.02Å; L69-L73 HydrophobicContact CG-CD1 3.92Å; L69-L73 HydrophobicContact CG-CG 4.31Å; L69-L73 WeakPolarHBondContact O-CB 3.3Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 2.8Å; N71-L73 VanDerWaalsContact C-N 3.33Å; N71-L73 PolarHBondContact O-N 3.36Å; L73-E75 VanDerWaalsContact C-N 3.32Å; L73-E75 PolarHBondContact O-N 3.35Å; L73-Y77 WeakPolarHBondContact O-CB 3.39Å; L73-Y77 PolarHBondContact O-N 2.86Å; L73-I86 HydrophobicContact CD2-CD1 3.82Å; L73-I86 HydrophobicContact CD2-CG2 4.27Å; L73-F88 HydrophobicContact CD2-CE2 4.41Å; L73-F88 HydrophobicContact CD2-CZ 3.94Å
74K87.8Confident87.8Confident136 Ų13682.7 Ų82.759%0.59138%0.38SS*.Hα-helixtrans-59.3-44.1175.7-74.6169.8-174.7168.50111.6K70 N71 A72K70-K74 WeakPolarHBondContact O-CG 3.32Å; K70-K74 PolarHBondContact O-N 2.87Å; K70-K74 VanDerWaalsContact O-N 3.11Å; N71-K74 WeakPolarHBondContact O-CB 3.33Å; N71-K74 PolarHBondContact O-N 2.98Å; A72-K74 PolarHBondContact O-N 2.97Å
75E87.8Confident87.4Confident60 Ų6079.6 Ų79.628%0.2836%0.362SS..Hα-helixtrans-74.3-45.6178.8-67.5-55.914500111.8W54 N71 A72 L73 Y77 R78W54-E75 HydrophobicContact CH2-CB 3.79Å; W54-E75 HydrophobicContact CH2-CG 4.05Å; W54-E75 HydrophobicContact CZ3-CB 3.65Å; W54-E75 HydrophobicContact CZ3-CG 4.41Å; N71-E75 PolarHBondContact O-N 2.97Å; A72-E75 PolarHBondContact O-N 3.18Å; L73-E75 VanDerWaalsContact C-N 3.32Å; L73-E75 PolarHBondContact O-N 3.35Å; E75-Y77 PolarHBondContact O-N 2.98Å; E75-R78 VanDerWaalsContact O-CB 3.32Å; E75-R78 WeakPolarHBondContact O-CB 3.43Å; E75-R78 PolarHBondContact O-N 3.29Å; E75-R78 IonicContact OE1-CZ 3.68Å; E75-R78 IonicContact OE1-NH1 2.92Å; E75-R78 PolarHBondContact OE1-NH1 2.83Å; E75-R78 IonicContact OE2-CZ 3.67Å; E75-R78 IonicContact OE2-NH1 2.74Å; E75-R78 PolarHBondContact OE2-NH1 2.92Å
76L87.7Confident87.2Confident13 Ų1377.2 Ų77.27%0.06835%0.349CS..Hα-helixtrans-63.6-28.3177.9-69.9164.9000112.6W54 A72 R78 N79 Y80 I86 F88W54-L76 HydrophobicContact CB-CD1 3.96Å; W54-L76 HydrophobicContact CD2-CD1 4.35Å; W54-L76 HydrophobicContact CE3-CD1 3.98Å; W54-L76 HydrophobicContact CE3-CD2 3.93Å; W54-L76 HydrophobicContact CE3-CG 3.72Å; W54-L76 HydrophobicContact CG-CD1 4.39Å; W54-L76 HydrophobicContact CZ3-CG 4.25Å; A72-L76 HydrophobicContact CB-CD1 4.28Å; A72-L76 VanDerWaalsContact O-CB 3.3Å; A72-L76 WeakPolarHBondContact O-CB 3.45Å; A72-L76 WeakPolarHBondContact O-CD1 3.23Å; A72-L76 WeakPolarHBondContact O-CG 3.31Å; A72-L76 PolarHBondContact O-N 2.88Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 2.96Å; L76-N79 CarbonylContact O-C 3.51Å; L76-N79 PolarHBondContact O-N 3.11Å; L76-N79 VanDerWaalsContact O-N 3.14Å; L76-Y80 WeakPolarHBondContact O-CB 3.15Å; L76-Y80 PolarHBondContact O-N 3.18Å; L76-I86 HydrophobicContact CB-CG1 4.29Å; L76-I86 HydrophobicContact CB-CG2 3.88Å; L76-I86 HydrophobicContact CD1-CG2 3.66Å; L76-I86 HydrophobicContact CG-CG2 4.25Å; L76-F88 HydrophobicContact CD1-CD1 4.39Å; L76-F88 HydrophobicContact CD1-CE1 3.6Å; L76-F88 HydrophobicContact CD1-CZ 3.91Å
77Y83.7Confident87Confident123 Ų12381.1 Ų81.148%0.48236%0.36SS..Hα-helixtrans-65.8-30175.6-165.6-98.5000112.3L73 E75 N79 Y80L73-Y77 WeakPolarHBondContact O-CB 3.39Å; L73-Y77 PolarHBondContact O-N 2.86Å; E75-Y77 PolarHBondContact O-N 2.98Å; Y77-N79 VanDerWaalsContact C-N 3.32Å; Y77-Y80 HydrophobicContact CD2-CD1 4.24Å; Y77-Y80 HydrophobicContact CE2-CD1 4.01Å; Y77-Y80 HydrophobicContact CE2-CE1 4.47Å; Y77-Y80 WeakPolarHBondContact O-CB 3.31Å; Y77-Y80 PolarHBondContact O-N 3.25Å
78R80.1Confident87Confident166 Ų16674.5 Ų74.563%0.62633%0.329SS*.Hα-helixtrans-63.3-42171.6-62.3175.8171.1158.6-2.6110.6E75 L76E75-R78 VanDerWaalsContact O-CB 3.32Å; E75-R78 WeakPolarHBondContact O-CB 3.43Å; E75-R78 PolarHBondContact O-N 3.29Å; E75-R78 IonicContact OE1-CZ 3.68Å; E75-R78 IonicContact OE1-NH1 2.92Å; E75-R78 PolarHBondContact OE1-NH1 2.83Å; E75-R78 IonicContact OE2-CZ 3.67Å; E75-R78 IonicContact OE2-NH1 2.74Å; E75-R78 PolarHBondContact OE2-NH1 2.92Å; L76-R78 VanDerWaalsContact C-N 3.26Å; L76-R78 PolarHBondContact O-N 2.96Å
79N78.2Confident87Confident83 Ų8373.3 Ų73.344%0.44432%0.323SS..Hα-helixtrans-74-30.8176.5-65.6-22.4000112.9L76 Y77 I81 K82 D83L76-N79 CarbonylContact O-C 3.51Å; L76-N79 PolarHBondContact O-N 3.11Å; L76-N79 VanDerWaalsContact O-N 3.14Å; Y77-N79 VanDerWaalsContact C-N 3.32Å; N79-I81 PolarHBondContact O-N 2.85Å; N79-K82 WeakPolarHBondContact O-CA 3.45Å; N79-K82 WeakPolarHBondContact O-CB 3.31Å; N79-K82 PolarHBondContact O-N 3.01Å; N79-D83 PolarHBondContact O-N 3.24Å
80Y80.3Confident86.9Confident32 Ų3273.3 Ų73.313%0.12532%0.323CS..Hα-helixtrans-56.7-35.7178.6173.2-100.5000112.5M1 V2 L76 Y77 K82 R84 I86M1-Y80 PolarHBondContact O-OH 2.86Å; V2-Y80 HydrophobicContact CG1-CE2 4.36Å; L76-Y80 WeakPolarHBondContact O-CB 3.15Å; L76-Y80 PolarHBondContact O-N 3.18Å; Y77-Y80 HydrophobicContact CD2-CD1 4.24Å; Y77-Y80 HydrophobicContact CE2-CD1 4.01Å; Y77-Y80 HydrophobicContact CE2-CE1 4.47Å; Y77-Y80 WeakPolarHBondContact O-CB 3.31Å; Y77-Y80 PolarHBondContact O-N 3.25Å; Y80-K82 PolarHBondContact O-N 3.14Å; Y80-R84 VanDerWaalsContact CE2-O 3.31Å; Y80-R84 WeakPolarHBondContact CE2-O 3.38Å; Y80-R84 VanDerWaalsContact O-CA 3.23Å; Y80-R84 WeakPolarHBondContact O-CA 3.47Å; Y80-R84 PolarHBondContact O-N 3.46Å; Y80-I86 HydrophobicContact CD2-CG1 3.99Å; Y80-I86 HydrophobicContact CG-CG1 4.33Å
81I76.2Confident86.8Confident117 Ų11770.9 Ų70.960%0.632%0.316SS*.Hα-helixtrans-58.7-35.9177.2-63.8172.3000110.6N79N79-I81 PolarHBondContact O-N 2.85Å
82K79.2Confident86.7Confident177 Ų17768.2 Ų68.277%0.7730%0.303SS*.Hα-helixtrans-81.8-51.9178.5-172.5-179.6178.2-177.30112.1N79 Y80N79-K82 WeakPolarHBondContact O-CA 3.45Å; N79-K82 WeakPolarHBondContact O-CB 3.31Å; N79-K82 PolarHBondContact O-N 3.01Å; Y80-K82 PolarHBondContact O-N 3.14Å
83D80.8Confident86.3Confident75 Ų7572.9 Ų72.940%0.40133%0.327SS..Hα-helixtrans-92.5-5.8-168.5-66.5-32.1000114.4N79 C85N79-D83 PolarHBondContact O-N 3.24Å; D83-C85 PolarHBondContact O-N 3.17Å; D83-C85 PolarHBondContact O-SG 2.9Å; D83-C85 VanDerWaalsContact O-SG 3.33Å
84R85.8Confident85.6Confident180 Ų18073.1 Ų73.168%0.67933%0.332SS*.SBendtrans55.115.5-176.4-55.8-64.5-170.1163.81.2114.4Y80Y80-R84 VanDerWaalsContact CE2-O 3.31Å; Y80-R84 WeakPolarHBondContact CE2-O 3.38Å; Y80-R84 VanDerWaalsContact O-CA 3.23Å; Y80-R84 WeakPolarHBondContact O-CA 3.47Å; Y80-R84 PolarHBondContact O-N 3.46Å
85C88.1Confident84.7Confident7 Ų771.6 Ų71.65%0.04732%0.323CS..SBendtrans-154.6152175.359.60000111.2I3 K5 D83I3-C85 HydrophobicContact CB-CB 4.29Å; I3-C85 HydrophobicContact CG2-CB 4.22Å; I3-C85 CarbonylContact O-C 3.58Å; I3-C85 VanDerWaalsContact O-CA 3.31Å; I3-C85 WeakPolarHBondContact O-CA 3.31Å; K5-C85 HydrophobicContact CD-CB 4.1Å; K5-C85 HydrophobicContact CG-CB 4.04Å; D83-C85 PolarHBondContact O-N 3.17Å; D83-C85 PolarHBondContact O-SG 2.9Å; D83-C85 VanDerWaalsContact O-SG 3.33Å
86I89.6Confident83.5Confident6 Ų674.2 Ų74.23%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-99.7132.1170.2-65.5175.6000106.9V2 I3 L4 K5 L73 L76 Y80 F88V2-I86 HydrophobicContact CG1-CD1 3.86Å; V2-I86 HydrophobicContact CG1-CG1 4.48Å; I3-I86 PolarHBondContact O-N 2.91Å; L4-I86 CarbonylContact C-O 3.55Å; L4-I86 WeakPolarHBondContact CA-O 3.41Å; L4-I86 HydrophobicContact CD2-CB 3.64Å; L4-I86 HydrophobicContact CD2-CD1 4.12Å; L4-I86 HydrophobicContact CD2-CG1 4.38Å; L4-I86 HydrophobicContact CD2-CG2 3.88Å; K5-I86 PolarHBondContact N-O 2.81Å; L73-I86 HydrophobicContact CD2-CD1 3.82Å; L73-I86 HydrophobicContact CD2-CG2 4.27Å; L76-I86 HydrophobicContact CB-CG1 4.29Å; L76-I86 HydrophobicContact CB-CG2 3.88Å; L76-I86 HydrophobicContact CD1-CG2 3.66Å; L76-I86 HydrophobicContact CG-CG2 4.25Å; Y80-I86 HydrophobicContact CD2-CG1 3.99Å; Y80-I86 HydrophobicContact CG-CG1 4.33Å; I86-F88 HydrophobicContact CG2-CD2 4.34Å; I86-F88 HydrophobicContact CG2-CE2 3.72Å; I86-F88 HydrophobicContact CG2-CZ 3.83Å
87R91.8Very high81.9Confident116 Ų11677.7 Ų77.744%0.43835%0.347SS..EExtended strand (participates in β ladder)trans-110.7129.8-175.7-58.4-178-170.1-169.25.5110.3K5 I7K5-R87 HydrophobicContact CB-CG 4.33Å; K5-R87 WeakPolarHBondContact O-CA 3.4Å; I7-R87 HydrophobicContact CD1-CB 4.37Å
88F94.4Very high80.3Confident0 Ų080 Ų800%036%0.362CS..EExtended strand (participates in β ladder)trans-120141167.8-64.7-66.5000109L4 K5 L6 I7 I35 I52 E53 W54 I63 L69 L73 L76 I86 I90L4-F88 HydrophobicContact CD1-CE2 4.4Å; L4-F88 HydrophobicContact CD2-CE2 4.08Å; K5-F88 PolarHBondContact O-N 2.91Å; L6-F88 HydrophobicContact CD2-CB 4.01Å; L6-F88 HydrophobicContact CD2-CD2 3.87Å; L6-F88 HydrophobicContact CD2-CG 4.41Å; I7-F88 PolarHBondContact N-O 3.33Å; I35-F88 HydrophobicContact CD1-CE2 4.4Å; I52-F88 HydrophobicContact CG2-CB 4.21Å; I52-F88 HydrophobicContact CG2-CD1 4.22Å; I52-F88 HydrophobicContact CG2-CG 4.33Å; E53-F88 CarbonylContact O-C 3.54Å; E53-F88 WeakPolarHBondContact O-CA 3.23Å; W54-F88 HydrophobicContact CB-CD1 4.03Å; W54-F88 HydrophobicContact CB-CE1 4.16Å; I63-F88 HydrophobicContact CD1-CD1 3.99Å; I63-F88 HydrophobicContact CD1-CE1 3.57Å; L69-F88 HydrophobicContact CD1-CE1 4.26Å; L69-F88 HydrophobicContact CD1-CZ 3.8Å; L73-F88 HydrophobicContact CD2-CE2 4.41Å; L73-F88 HydrophobicContact CD2-CZ 3.94Å; L76-F88 HydrophobicContact CD1-CD1 4.39Å; L76-F88 HydrophobicContact CD1-CE1 3.6Å; L76-F88 HydrophobicContact CD1-CZ 3.91Å; I86-F88 HydrophobicContact CG2-CD2 4.34Å; I86-F88 HydrophobicContact CG2-CE2 3.72Å; I86-F88 HydrophobicContact CG2-CZ 3.83Å; F88-I90 HydrophobicContact CB-CD1 4.18Å
89H93.4Very high78.8Confident44 Ų4482 Ų8220%0.20437%0.371CS..EExtended strand (participates in β ladder)trans-98.5133172.6-68.7-90.5000108.9I7 E53 M60I7-H89 WeakPolarHBondContact O-CA 3.45Å; E53-H89 HydrophobicContact CB-CB 4.31Å; E53-H89 PolarHBondContact N-O 3.46Å; E53-H89 PolarHBondContact O-N 2.86Å; M60-H89 HydrophobicContact CE-CB 3.53Å; M60-H89 WeakPolarHBondContact CE-CD2 3.49Å
90I93.3Very high77.4Confident1 Ų179.9 Ų79.91%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-121.3127.9-172.4-49.4-61.2000108.9L6 I7 Q8 K9 L39 Y50 I51 I52 F88L6-I90 HydrophobicContact CB-CG1 4.04Å; I7-I90 PolarHBondContact O-N 3.08Å; Q8-I90 VanDerWaalsContact CA-O 3.31Å; Q8-I90 WeakPolarHBondContact CA-O 3.41Å; Q8-I90 HydrophobicContact CB-CB 4.16Å; Q8-I90 HydrophobicContact CG-CB 4.42Å; Q8-I90 HydrophobicContact CG-CG2 4.45Å; K9-I90 PolarHBondContact N-O 3.13Å; K9-I90 VanDerWaalsContact N-O 3.11Å; L39-I90 HydrophobicContact CD1-CD1 3.91Å; L39-I90 HydrophobicContact CD1-CG1 4.41Å; L39-I90 HydrophobicContact CD1-CG2 4.01Å; L39-I90 HydrophobicContact CD2-CD1 4.32Å; L39-I90 HydrophobicContact CD2-CG1 4.03Å; L39-I90 HydrophobicContact CD2-CG2 4.07Å; Y50-I90 HydrophobicContact CD1-CG2 3.63Å; Y50-I90 HydrophobicContact CE1-CG2 4.5Å; Y50-I90 HydrophobicContact CG-CG2 4.17Å; I51-I90 WeakPolarHBondContact O-CA 3.34Å; I52-I90 HydrophobicContact CB-CD1 4.21Å; I52-I90 HydrophobicContact CG1-CD1 3.94Å; I52-I90 HydrophobicContact CG2-CD1 3.88Å; F88-I90 HydrophobicContact CB-CD1 4.18Å
91T90.5Very high75.9Confident41 Ų4184 Ų8425%0.25240%0.4SS..EExtended strand (participates in β ladder)trans-120.8111172.7-55.40000108.5Y50 I51Y50-T91 WeakPolarHBondContact CA-O 3.27Å; I51-T91 PolarHBondContact N-O 3.33Å; I51-T91 PolarHBondContact O-N 3.36Å
92P89.4Confident74.7Confident19 Ų1980.9 Ų80.912%0.12339%0.387CS..EExtended strand (participates in β ladder)trans-64.4135.4173.3-1831.6000110.9Q8 Y47 Y50Q8-P92 HydrophobicContact CG-CG 3.83Å; Y47-P92 HydrophobicContact CD1-CB 3.39Å; Y47-P92 HydrophobicContact CD1-CG 4.21Å; Y47-P92 HydrophobicContact CD2-CB 3.84Å; Y47-P92 HydrophobicContact CD2-CG 3.98Å; Y47-P92 HydrophobicContact CE1-CB 3.65Å; Y47-P92 HydrophobicContact CE1-CG 4.07Å; Y47-P92 HydrophobicContact CE2-CB 4.08Å; Y47-P92 HydrophobicContact CE2-CG 3.84Å; Y47-P92 HydrophobicContact CG-CB 3.49Å; Y47-P92 VanDerWaalsContact CG-CB 3.49Å; Y47-P92 HydrophobicContact CG-CG 4.15Å; Y50-P92 HydrophobicContact CD1-CB 4.37Å; Y50-P92 HydrophobicContact CD1-CG 4.43Å; Y50-P92 HydrophobicContact CE1-CB 4.49Å
93L84.5Confident73.5Confident99 Ų9977.1 Ų77.152%0.51838%0.381SS..EExtended strand (participates in β ladder)trans-93.1-48.4-176-75.7178.5000113.3D49 I51D49-L93 HydrophobicContact CB-CB 4.34Å; D49-L93 HydrophobicContact CB-CD1 4.19Å; D49-L93 PolarHBondContact O-N 2.95Å; I51-L93 HydrophobicContact CD1-CD2 3.56Å; I51-L93 HydrophobicContact CD1-CG 4.37Å; I51-L93 HydrophobicContact CG1-CD1 3.94Å; I51-L93 HydrophobicContact CG1-CD2 3.58Å; I51-L93 HydrophobicContact CG1-CG 3.83Å
94S75.9Confident72.4Confident41 Ų4179.4 Ų79.429%0.28740%0.4SS..EExtended strand (participates in β ladder)trans-142.6145.6-176.453.50000111.2Y47 Q48Y47-S94 CarbonylContact C-O 3.58Å; Y47-S94 VanDerWaalsContact CA-O 3.23Å; Y47-S94 WeakPolarHBondContact CA-O 3.17Å; Q48-S94 WeakPolarHBondContact CB-OG 3.45Å; Q48-S94 PolarHBondContact N-O 2.9Å; Q48-S94 PolarHBondContact OE1-OG 3.31Å
95Y68.5Low71.1Confident103 Ų10378.6 Ų78.640%0.40440%0.398SS..EExtended strand (participates in β ladder)trans-77.5142.6170.3-69.1-92.9000109.3K46 Y47 H97K46-Y95 HydrophobicContact CD-CE1 4.5Å; K46-Y95 HydrophobicContact CG-CD1 4.09Å; K46-Y95 HydrophobicContact CG-CE1 4.18Å; Y47-Y95 HydrophobicContact CD1-CD1 4.01Å; Y47-Y95 HydrophobicContact CD1-CE1 4.07Å; Y47-Y95 HydrophobicContact CD1-CG 4.38Å; Y47-Y95 AromaticContact CE1-CD1 3.82Å; Y47-Y95 HydrophobicContact CE1-CD1 3.82Å; Y47-Y95 AromaticContact CE1-CE1 3.4Å; Y47-Y95 HydrophobicContact CE1-CE1 3.4Å; Y47-Y95 HydrophobicContact CE1-CE2 4.32Å; Y47-Y95 HydrophobicContact CE1-CG 4.46Å; Y47-Y95 AromaticContact CE1-CZ 3.66Å; Y95-H97 PolarHBondContact O-N 2.75Å
96Y61.9Low69.1Low116 Ų11687.4 Ų87.446%0.45544%0.438SS..SBendtrans-62.1-24.1170.1-94-77.2000112.3F45 K46 Y47 Q48 Q98F45-Y96 WeakPolarHBondContact O-CD2 3.46Å; K46-Y96 PolarHBondContact O-N 2.81Å; K46-Y96 VanDerWaalsContact O-N 3.14Å; Y47-Y96 VanDerWaalsContact C-CE2 3.49Å; Y47-Y96 VanDerWaalsContact O-CD2 3.3Å; Y47-Y96 WeakPolarHBondContact O-CD2 3.33Å; Y47-Y96 WeakPolarHBondContact O-CE2 3.28Å; Q48-Y96 VanDerWaalsContact CA-CE2 3.42Å; Q48-Y96 HydrophobicContact CB-CD1 4.34Å; Q48-Y96 HydrophobicContact CB-CD2 4.17Å; Q48-Y96 HydrophobicContact CB-CE1 4.28Å; Q48-Y96 HydrophobicContact CB-CE2 4.17Å; Q48-Y96 HydrophobicContact CB-CG 4.29Å; Q48-Y96 HydrophobicContact CG-CE1 4.27Å; Y96-Q98 PolarHBondContact O-N 3.16Å
97H54.2Low67Low85 Ų8593.9 Ų93.939%0.39447%0.471SS..  trans-78.791.5-175.8-66.6-104.2000111.2Y95 Y99 G100Y95-H97 PolarHBondContact O-N 2.75Å; H97-Y99 PolarHBondContact O-N 3.35Å; H97-G100 VanDerWaalsContact CB-O 3.28Å; H97-G100 WeakPolarHBondContact CB-O 3.06Å
98Q49.6Very low64.8Low173 Ų17393.9 Ų93.981%0.80849%0.486SS*.THydrogen-bonded Turntrans-64.5-5.5148.7-86.5-179.2-13.200112.3Y96Y96-Q98 PolarHBondContact O-N 3.16Å
99Y49.7Very low62.5Low206 Ų20699.1 Ų99.181%0.80852%0.523SS*.THydrogen-bonded Turntrans-120.430.2-166.3-66.2-77.7000115.7H97H97-Y99 PolarHBondContact O-N 3.35Å
100G47.5Very low60.3Low39 Ų39102 Ų10240%0.40255%0.548SS..SBendtrans99.6176.9171.100000115H97H97-G100 VanDerWaalsContact CB-O 3.28Å; H97-G100 WeakPolarHBondContact CB-O 3.06Å
101P49.4Very low58Low118 Ų118107.3 Ų107.377%0.76659%0.585SS**SBendtrans-59.1151-170.324.3-33.2000111.8
102P52.2Low56.1Low53 Ų53110.8 Ų110.834%0.34461%0.612SS.*PPolyproline II helixtrans-55.8146.3173.125.6-33.5000109.5
103P52.3Low54.1Low98 Ų98115 Ų11564%0.63664%0.641SS**PPolyproline II helixtrans-54.4140.8175.322.8-31.5000109.1Y105P103-Y105 PolarHBondContact O-N 3.13Å; P103-Y105 VanDerWaalsContact O-N 3.13Å
104P58.3Low52.3Low122 Ų122115.7 Ų115.779%0.79266%0.655SS**PPolyproline II helixtrans-56.3125.817823.8-31.2000107.6E106P104-E106 PolarHBondContact O-N 3.11Å; P104-E106 VanDerWaalsContact O-N 3.11Å
105Y58Low51.3Low163 Ų163121.3 Ų121.364%0.63968%0.681SS**PPolyproline II helixtrans-51.1124.1169.9-66.2-87.8000107.2P103 I107P103-Y105 PolarHBondContact O-N 3.13Å; P103-Y105 VanDerWaalsContact O-N 3.13Å; Y105-I107 PolarHBondContact O-N 2.78Å
106E46.8Very low50.3Low193 Ų193127.8 Ų127.890%0.90272%0.721SS**  trans-63.190.9163.8-71.3-176.2176.400106.3P104P104-E106 PolarHBondContact O-N 3.11Å; P104-E106 VanDerWaalsContact O-N 3.11Å
107I45.8Very low49.7Very low141 Ų141128.4 Ų128.472%0.72373%0.734SS**  trans-57.2123.5159.1-53.4173.1000103.5Y105 S109Y105-I107 PolarHBondContact O-N 2.78Å; I107-S109 PolarHBondContact O-N 2.81Å
108P44.6Very low49.5Very low116 Ų116130.7 Ų130.775%0.75375%0.752SS**  trans-57.3110172.8-1.79.7000105.6S110P108-S110 PolarHBondContact O-N 2.94Å
109S46Very low49.5Very low111 Ų111128.3 Ų128.378%0.77675%0.749SS**  trans-57.8111.2173.521.70000105.7I107 S111I107-S109 PolarHBondContact O-N 2.81Å; S109-S111 PolarHBondContact O-N 3.03Å
110S48.4Very low49.5Very low104 Ų104123.8 Ų123.873%0.72775%0.746SS**  trans-47.511816714.30000106.9P108 S112P108-S110 PolarHBondContact O-N 2.94Å; S110-S112 PolarHBondContact O-N 2.82Å
111S45.4Very low49.6Very low112 Ų112129.1 Ų129.178%0.78377%0.767SS**  trans-4899.1179.39.90000109.4S109 S113S109-S111 PolarHBondContact O-N 3.03Å; S111-S113 PolarHBondContact O-N 3.04Å
112S49.7Very low49.6Very low115 Ų115129.8 Ų129.880%0.80477%0.767SS**  trans-77.385165-60.70000106S110 S114S110-S112 PolarHBondContact O-N 2.82Å; S112-S114 PolarHBondContact O-N 3Å
113S47.8Very low49.4Very low106 Ų106135.3 Ų135.374%0.74180%0.798SS**  trans-60.3103.9164.1-68.60000107.9S111S111-S113 PolarHBondContact O-N 3.04Å
114S46.9Very low49.2Very low115 Ų115138.2 Ų138.280%0.80481%0.81SS**  trans-128.983.7159.2-59.40000106.3S112S112-S114 PolarHBondContact O-N 3Å
115L54.9Low48.5Very low158 Ų158139.5 Ų139.583%0.82781%0.811SS**  trans-73122.4160-85.8157.3000107
116L47.3Very low47.6Very low240 Ų240137.4 Ų137.4100%1.25783%0.827SS**  trans37.90152.3-71162000118.7

Retrieved 116 of 116 residues in 27.9 ms (Link to these results)

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