Q99N75_MOUSE Loading...

Prolactin-induced protein

AlphaFold DB , UniProt , Accession Q99N75, Species MOUSE (Mus musculus, Mouse), Gene Sval2, Length 144 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
1M38.1Very low48.2Very low253 Ų253155.3 Ų155.3100%1.24682%0.823SS**  096.40-68.1173.6179.100107.6
2A43.3Very low48.5Very low101 Ų101149 Ų14984%0.83581%0.809SS**  trans-146.8106.1171.300000106.7
3S51Low48.8Very low101 Ų101148.9 Ų148.971%0.70681%0.807SS**  trans-71.7126.3-174.547.40000111.1Q5S3-Q5 PolarHBondContact O-N 3.49Å
4L49.6Very low49.2Very low180 Ų180147.8 Ų147.894%0.94280%0.796SS**  trans-67.896.4167.2-80.4155.7000109.2M6L4-M6 PolarHBondContact O-N 3.48Å
5Q52.2Low49.4Very low166 Ų166148 Ų14878%0.77679%0.789SS**  trans-82.7108.3173.2-76-176.7-45.100110.6S3S3-Q5 PolarHBondContact O-N 3.49Å
6M47.1Very low49.7Very low157 Ų157147.2 Ų147.277%0.77378%0.784SS**  54.380.1125.6-61.1-77.5-87.100117.4L4 Y8L4-M6 PolarHBondContact O-N 3.48Å; M6-Y8 VanDerWaalsContact C-N 3.35Å; M6-Y8 PolarHBondContact O-N 3.45Å
7F46.6Very low50Low208 Ų208145.5 Ų145.591%0.91277%0.774SS**  trans-82.384.2147.8-74.4-79.3000108.8
8Y47.3Very low50.4Low203 Ų203143.1 Ų143.180%0.79676%0.761SS**  trans-128.886.4168-120.6-92.2000107.8M6M6-Y8 VanDerWaalsContact C-N 3.35Å; M6-Y8 PolarHBondContact O-N 3.45Å
9Q48.8Very low50.7Low176 Ų176142.5 Ų142.582%0.82276%0.757SS**  trans-103.1104.3173.7-153.6172.1-36.800107.4G11Q9-G11 PolarHBondContact O-N 3.46Å
10P49.3Very low51.1Low115 Ų115139.9 Ų139.975%0.74775%0.75SS**THydrogen-bonded Turntrans-77.615.6-175.111.41.1000113.7
11G57.3Low51.4Low48 Ų48139.2 Ų139.250%0.49575%0.745SS.*THydrogen-bonded Turntrans-90.4-15.9-174.800000115.3Q9Q9-G11 PolarHBondContact O-N 3.46Å
12A51.8Low52.3Low80 Ų80134.8 Ų134.866%0.66172%0.719SS**SBendtrans-88.1-14.5-170.500000114.6
13L52.4Low52.8Low148 Ų148136.9 Ų136.978%0.77572%0.716SS**SBendtrans-83-18.5-173.6-83159.4000114.4
14M53.7Low52.7Low133 Ų133139.5 Ų139.566%0.65572%0.717SS**SBendtrans-84.8-15.1-177.1-74.1-66.7-10000114.2
15H52.1Low52.6Low151 Ų151135 Ų13570%0.69970%0.697SS**Hα-helixtrans-83.1-16.8-177.5-69.921.7000113.3
16L54.4Low52.3Low135 Ų135132.9 Ų132.971%0.70770%0.698SS**Hα-helixtrans-77-26.8179.5-126108.3000113.1
17L54.7Low52.4Low118 Ų118133.7 Ų133.762%0.61869%0.693SS**Hα-helixtrans-74.7-29.1-177.4-76.9166.1000113.3L19L17-L19 VanDerWaalsContact C-N 3.34Å
18I58.3Low52.6Low102 Ų102126.4 Ų126.452%0.52368%0.677SS.*Hα-helixtrans-73.2-28.9-179.4-65.7170.4000111.1F22I18-F22 HydrophobicContact CG2-CD2 4.47Å; I18-F22 HydrophobicContact CG2-CE2 3.81Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å
19L54.6Low52.7Low133 Ų133125.6 Ų125.670%0.69668%0.68SS**Hα-helixtrans-74.4-28.2-178.3-143.782.2000113.1L17L17-L19 VanDerWaalsContact C-N 3.34Å
20C58.8Low53.2Low90 Ų90120.3 Ų120.361%0.60866%0.656SS**Hα-helixtrans-73.1-28.2178.4-640000112.9F22 L23C20-F22 VanDerWaalsContact C-N 3.3Å; C20-F22 PolarHBondContact O-N 2.95Å; C20-L23 PolarHBondContact O-N 3.22Å
21L57.4Low54Low126 Ų126119 Ų11966%0.6664%0.642SS**Hα-helixtrans-71.2-22.6179.8-82157.9000113.2L23L21-L23 VanDerWaalsContact C-N 3.35Å
22F57.3Low54.9Low159 Ų159122.5 Ų122.570%0.69764%0.641SS**THydrogen-bonded Turntrans-83.4-7.7177.4-70.3-73.6000113.9I18 C20I18-F22 HydrophobicContact CG2-CD2 4.47Å; I18-F22 HydrophobicContact CG2-CE2 3.81Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å; C20-F22 VanDerWaalsContact C-N 3.3Å; C20-F22 PolarHBondContact O-N 2.95Å
23L55Low56.5Low146 Ų146125.4 Ų125.476%0.76465%0.645SS**SBendtrans-92.1-11.2177.6-114.982000114.1C20 L21 T25C20-L23 PolarHBondContact O-N 3.22Å; L21-L23 VanDerWaalsContact C-N 3.35Å; L23-T25 PolarHBondContact O-N 3.42Å
24E47.5Very low58.4Low155 Ų155122.7 Ų122.772%0.72463%0.631SS**  trans-79.558.7170-69-176.7163.700110.1P26E24-P26 VanDerWaalsContact O-CD 3.26Å; E24-P26 WeakPolarHBondContact O-CD 3.45Å
25T49.1Very low60.3Low87 Ų87116.4 Ų116.453%0.53460%0.6SS.*  trans-76.7113.8152.443.60000105.6L23 Y27L23-T25 PolarHBondContact O-N 3.42Å; T25-Y27 PolarHBondContact O-N 3.49Å; T25-Y27 WeakPolarHBondContact OG1-CE2 3.41Å
26P44.7Very low62.4Low121 Ų121109.3 Ų109.379%0.78657%0.567SS**  trans-69.991.3174.329.6-31.3000106.2E24 G28E24-P26 VanDerWaalsContact O-CD 3.26Å; E24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-G28 PolarHBondContact O-N 3.47Å
27Y49.1Very low64.4Low174 Ų174105.4 Ų105.468%0.68255%0.552SS**  trans-63.983.7149.8-70.4-82.6000104.5T25 Q29T25-Y27 PolarHBondContact O-N 3.49Å; T25-Y27 WeakPolarHBondContact OG1-CE2 3.41Å; Y27-Q29 PolarHBondContact O-N 3.34Å
28G50.4Low66.5Low54 Ų54101.4 Ų101.456%0.55753%0.53SS*.  trans-49.7126.2-173.800000108.5P26 E30P26-G28 PolarHBondContact O-N 3.47Å; G28-E30 VanDerWaalsContact C-N 3.33Å; G28-E30 VanDerWaalsContact O-CA 3.27Å; G28-E30 WeakPolarHBondContact O-CA 3.44Å; G28-E30 PolarHBondContact O-N 2.85Å
29Q50.2Low68.4Low187 Ų187100.6 Ų100.687%0.87453%0.527SS*.  trans-1890.3-179.7-166.2103.1-24.900111.5Y27 N31Y27-Q29 PolarHBondContact O-N 3.34Å; Q29-N31 PolarHBondContact O-N 3.04Å; Q29-N31 VanDerWaalsContact O-N 3.11Å
30E58.6Low70.4Confident65 Ų6594.9 Ų94.930%0.30450%0.497SS..  trans-70.5117.2-164.1-136.6174.4-157.800106.1G28 W32 Q63G28-E30 VanDerWaalsContact C-N 3.33Å; G28-E30 VanDerWaalsContact O-CA 3.27Å; G28-E30 WeakPolarHBondContact O-CA 3.44Å; G28-E30 PolarHBondContact O-N 2.85Å; E30-W32 VanDerWaalsContact CB-CD1 3.47Å; E30-W32 VanDerWaalsContact CB-NE1 3.29Å; E30-W32 VanDerWaalsContact CG-NE1 3.26Å; E30-W32 PolarHBondContact O-N 2.97Å; E30-W32 VanDerWaalsContact OE2-CZ2 3.24Å; E30-W32 WeakPolarHBondContact OE2-CZ2 3.43Å; E30-W32 PolarHBondContact OE2-NE1 3.33Å; E30-Q63 PolarHBondContact OE1-NE2 2.84Å
31N65.7Low72.3Confident87 Ų8794.6 Ų94.647%0.46549%0.489SS..  trans-8053.2-163.8-130.9-3000111.7Q29 N33 N34Q29-N31 PolarHBondContact O-N 3.04Å; Q29-N31 VanDerWaalsContact O-N 3.11Å; N31-N33 PolarHBondContact O-N 2.76Å; N31-N33 VanDerWaalsContact O-N 3.11Å; N31-N34 CarbonylContact O-C 3.3Å; N31-N34 VanDerWaalsContact O-C 3.3Å; N31-N34 PolarHBondContact O-N 2.82Å
32W78Confident74.2Confident122 Ų12290.1 Ų90.146%0.46247%0.466SS..THydrogen-bonded Turntrans-63.7-20.9-169.1-74.627.7000113.7E30 N34 F128E30-W32 VanDerWaalsContact CB-CD1 3.47Å; E30-W32 VanDerWaalsContact CB-NE1 3.29Å; E30-W32 VanDerWaalsContact CG-NE1 3.26Å; E30-W32 PolarHBondContact O-N 2.97Å; E30-W32 VanDerWaalsContact OE2-CZ2 3.24Å; E30-W32 WeakPolarHBondContact OE2-CZ2 3.43Å; E30-W32 PolarHBondContact OE2-NE1 3.33Å; W32-N34 VanDerWaalsContact C-N 3.31Å; W32-F128 HydrophobicContact CD2-CE2 4.13Å; W32-F128 HydrophobicContact CG-CE2 4.14Å; W32-F128 HydrophobicContact CG-CZ 4.37Å; W32-F128 AromaticContact NE1-CE2 3.94Å
33N85.3Confident76.1Confident141 Ų14185.1 Ų85.175%0.75445%0.451SS*.THydrogen-bonded Turntrans-69.2-30.4176.3-69.4-13.3000112.3N31N31-N33 PolarHBondContact O-N 2.76Å; N31-N33 VanDerWaalsContact O-N 3.11Å
34N91.5Very high78.1Confident90 Ų9083.2 Ų83.248%0.48145%0.448SS..  trans-136.668.3-178.2-61.8-46.4000109.6N31 W32 L36 N60N31-N34 CarbonylContact O-C 3.3Å; N31-N34 VanDerWaalsContact O-C 3.3Å; N31-N34 PolarHBondContact O-N 2.82Å; W32-N34 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.43Å; N34-L36 VanDerWaalsContact O-N 3.12Å; N34-N60 WeakPolarHBondContact O-CB 3.44Å; N34-N60 PolarHBondContact O-ND2 2.85Å
35P93.9Very high80.4Confident1 Ų178.8 Ų78.81%0.00643%0.428CS..  trans-63.9-19.2-173.928-36.8000113.1N60 V61 M65 F128 Y133P35-N60 PolarHBondContact O-N 2.89Å; P35-V61 HydrophobicContact CB-CG1 4.19Å; P35-M65 HydrophobicContact CB-CE 4.07Å; P35-F128 HydrophobicContact CB-CD1 4.4Å; P35-F128 HydrophobicContact CB-CE1 3.61Å; P35-F128 HydrophobicContact CB-CZ 3.98Å; P35-F128 HydrophobicContact CG-CE1 4.11Å; P35-Y133 VanDerWaalsContact CD-CE2 3.44Å; P35-Y133 HydrophobicContact CG-CD1 3.61Å; P35-Y133 HydrophobicContact CG-CD2 3.64Å; P35-Y133 HydrophobicContact CG-CE1 3.8Å; P35-Y133 HydrophobicContact CG-CE2 3.83Å; P35-Y133 HydrophobicContact CG-CG 3.53Å
36L95Very high82.6Confident2 Ų285.3 Ų85.31%0.0145%0.449CS..EExtended strand (participates in β ladder)trans-126.6156.4178.4-64174.8000112.2N34 L38 V57 K58 N60 M65 V67 L90 A112 V114 Y133 E135N34-L36 PolarHBondContact O-N 3.43Å; N34-L36 VanDerWaalsContact O-N 3.12Å; L36-L38 HydrophobicContact CB-CD1 4.37Å; L36-V57 HydrophobicContact CD2-CG1 3.93Å; L36-K58 CarbonylContact C-O 3.54Å; L36-K58 VanDerWaalsContact CA-O 3.26Å; L36-K58 WeakPolarHBondContact CA-O 3.39Å; L36-N60 VanDerWaalsContact C-ND2 3.31Å; L36-N60 PolarHBondContact O-ND2 2.97Å; L36-M65 HydrophobicContact CD1-SD 4.42Å; L36-M65 HydrophobicContact CD2-CE 4.39Å; L36-M65 HydrophobicContact CD2-SD 3.41Å; L36-M65 WeakPolarHBondContact CD2-SD 3.42Å; L36-M65 HydrophobicContact CG-SD 3.9Å; L36-V67 HydrophobicContact CD1-CG1 4.22Å; L36-V67 HydrophobicContact CD2-CG1 4.19Å; L36-L90 HydrophobicContact CD2-CD2 3.6Å; L36-A112 HydrophobicContact CD1-CB 4.15Å; L36-V114 HydrophobicContact CD1-CG2 3.7Å; L36-V114 HydrophobicContact CG-CG2 4.27Å; L36-Y133 HydrophobicContact CB-CE1 4.05Å; L36-Y133 HydrophobicContact CD1-CD1 4.09Å; L36-Y133 HydrophobicContact CD1-CE1 4.35Å; L36-Y133 HydrophobicContact CG-CD1 4.39Å; L36-Y133 HydrophobicContact CG-CE1 4.39Å; L36-E135 HydrophobicContact CB-CB 4.49Å
37S96.7Very high84.8Confident54 Ų5480.8 Ų80.838%0.37842%0.424SS..EExtended strand (participates in β ladder)trans-136.9141.5162.8-63.90000110.5K58 N60S37-K58 PolarHBondContact N-O 2.92Å; S37-K58 PolarHBondContact O-N 3.32Å; S37-N60 PolarHBondContact OG-ND2 3.07Å
38L98.4Very high87Confident33 Ų3380 Ų8017%0.17342%0.424CS..EExtended strand (participates in β ladder)trans-116.2135.7-177.9-83.356.1000109.9L36 L55 Q56 V57 A112 E135 A137L36-L38 HydrophobicContact CB-CD1 4.37Å; L38-L55 HydrophobicContact CB-CD1 4.07Å; L38-L55 HydrophobicContact CD2-CD1 4.2Å; L38-L55 HydrophobicContact CD2-CD2 4.45Å; L38-L55 HydrophobicContact CG-CD1 4.06Å; L38-Q56 WeakPolarHBondContact CA-O 3.05Å; L38-V57 HydrophobicContact CD1-CG1 4.05Å; L38-V57 HydrophobicContact CD1-CG2 4.4Å; L38-V57 HydrophobicContact CG-CG2 4.32Å; L38-A112 HydrophobicContact CD1-CB 3.91Å; L38-A112 HydrophobicContact CD2-CB 4.14Å; L38-A112 HydrophobicContact CG-CB 4.38Å; L38-E135 HydrophobicContact CB-CG 4.5Å; L38-E135 HydrophobicContact CD1-CB 3.65Å; L38-E135 HydrophobicContact CD1-CG 3.64Å; L38-E135 HydrophobicContact CD2-CB 4.17Å; L38-E135 HydrophobicContact CD2-CG 4.22Å; L38-E135 WeakPolarHBondContact CD2-O 3.02Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; L38-A137 HydrophobicContact CB-CB 3.78Å; L38-A137 HydrophobicContact CD2-CB 4.23Å
39D98.1Very high89.2Confident86 Ų8679 Ų7946%0.4641%0.406SS..EExtended strand (participates in β ladder)trans-127.5123.2168.8-179.836.3000108.7Q56D39-Q56 HydrophobicContact CB-CB 4.39Å; D39-Q56 PolarHBondContact N-O 2.87Å; D39-Q56 PolarHBondContact O-N 2.64Å
40M98.5Very high91.4Very high12 Ų1272.5 Ų72.56%0.05938%0.376CS..EExtended strand (participates in β ladder)trans-115122.1-176.8-178.7177.4-7000110.1V42 V53 T54 L55 L108 A137 Q139M40-V42 HydrophobicContact CG-CG2 4.41Å; M40-V53 HydrophobicContact CE-CG1 4.48Å; M40-V53 HydrophobicContact CG-CG1 4.23Å; M40-V53 HydrophobicContact SD-CG1 4.28Å; M40-T54 WeakPolarHBondContact CA-O 3.42Å; M40-L55 HydrophobicContact CB-CD1 4.01Å; M40-L55 HydrophobicContact CE-CD1 4.02Å; M40-L108 HydrophobicContact CE-CD2 4.49Å; M40-L108 HydrophobicContact CE-CG 4.48Å; M40-L108 HydrophobicContact SD-CD2 4.02Å; M40-L108 HydrophobicContact SD-CG 4.18Å; M40-A137 HydrophobicContact CB-CB 4.03Å; M40-Q139 HydrophobicContact CG-CB 4.07Å; M40-Q139 HydrophobicContact SD-CB 3.63Å
41I98Very high93.3Very high85 Ų8570.6 Ų70.644%0.43637%0.366SS..EExtended strand (participates in β ladder)trans-113.4132.8174.6-59.7170.2000108.1V53 T54I41-V53 WeakPolarHBondContact O-CA 3.31Å; I41-T54 PolarHBondContact N-O 3Å; I41-T54 PolarHBondContact O-N 2.88Å
42V97.5Very high94.8Very high31 Ų3168.3 Ų68.319%0.18836%0.356CS..EExtended strand (participates in β ladder)trans-118.1120.8172.1179.60000107.6M40 F51 V53 Q139 I141M40-V42 HydrophobicContact CG-CG2 4.41Å; V42-F51 HydrophobicContact CG1-CB 3.7Å; V42-F51 HydrophobicContact CG1-CD1 3.81Å; V42-F51 HydrophobicContact CG1-CG 3.95Å; V42-V53 HydrophobicContact CG2-CG1 4.45Å; V42-V53 HydrophobicContact CG2-CG2 4.32Å; V42-Q139 HydrophobicContact CB-CG 4.11Å; V42-Q139 HydrophobicContact CG2-CB 3.94Å; V42-Q139 HydrophobicContact CG2-CG 3.59Å; V42-I141 HydrophobicContact CG1-CD1 3.95Å; V42-I141 HydrophobicContact CG1-CG1 4.1Å; V42-I141 HydrophobicContact CG2-CD1 4.33Å; V42-I141 HydrophobicContact CG2-CG1 4.44Å
43S97.2Very high95.8Very high54 Ų5462.5 Ų62.538%0.37833%0.334SS..EExtended strand (participates in β ladder)trans-120.3136.6-177.4-65.50000110.7F51 T52S43-F51 CarbonylContact O-C 3.54Å; S43-F51 WeakPolarHBondContact O-CA 3.31Å; S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.86Å
44P96.3Very high96.4Very high106 Ų10657 Ų5769%0.68831%0.306SS*.EExtended strand (participates in β ladder)trans-66.4144.2178.628.5-34.5000111.4F51P44-F51 HydrophobicContact CB-CD1 4.3Å; P44-F51 HydrophobicContact CB-CE1 4.32Å
45M96.5Very high96.7Very high63 Ų6352.8 Ų52.831%0.3128%0.283SS..  trans-99.9-179172.5-63.3173.67500110.7G47 E50 T52 L80 D99M45-G47 VanDerWaalsContact C-N 3.35Å; M45-E50 HydrophobicContact CB-CB 3.86Å; M45-E50 WeakPolarHBondContact CB-O 3.27Å; M45-E50 HydrophobicContact CG-CB 4.45Å; M45-E50 PolarHBondContact N-O 2.8Å; M45-E50 HydrophobicContact SD-CB 4.1Å; M45-T52 WeakPolarHBondContact CG-OG1 3.3Å; M45-T52 PolarHBondContact SD-OG1 3.17Å; M45-L80 HydrophobicContact CE-CD1 4.48Å; M45-L80 HydrophobicContact SD-CD1 4.27Å; M45-D99 HydrophobicContact CE-CB 4.27Å; M45-D99 HydrophobicContact SD-CB 4.11Å
46K94Very high97Very high223 Ų22355.7 Ų55.797%0.9730%0.296SS*.SBendtrans-68.7-31.2177.6-68.8-176.3179.71790113.2
47G92.2Very high97.1Very high26 Ų2655.6 Ų55.627%0.26830%0.296SS..SBendtrans-77.4156.7-179.900000112.9M45 N49 E50M45-G47 VanDerWaalsContact C-N 3.35Å; G47-N49 PolarHBondContact O-N 3.13Å; G47-E50 WeakPolarHBondContact CA-OE2 3.18Å; G47-E50 PolarHBondContact O-N 3.25Å
48K94.1Very high97.2Very high159 Ų15958.2 Ų58.269%0.69130%0.3SS*.THydrogen-bonded Turntrans-65125.8179.9-177178.3178.9-1800110.2E50 Q101K48-E50 PolarHBondContact O-N 2.86Å; K48-E50 VanDerWaalsContact O-N 3.13Å; K48-Q101 PolarHBondContact O-NE2 2.97Å
49N96.6Very high97.1Very high33 Ų3357.1 Ų57.118%0.17630%0.295CS..THydrogen-bonded Turntrans54.524.9-178.6-56.1-13.4000113.4G47 F51 Q101 V102 V143G47-N49 PolarHBondContact O-N 3.13Å; N49-F51 VanDerWaalsContact C-CE2 3.48Å; N49-F51 HydrophobicContact CB-CE2 4.4Å; N49-F51 VanDerWaalsContact O-CD2 3.31Å; N49-F51 WeakPolarHBondContact O-CD2 3.43Å; N49-F51 VanDerWaalsContact O-CE2 3.3Å; N49-F51 WeakPolarHBondContact O-CE2 3.25Å; N49-Q101 CarbonylContact O-C 3.51Å; N49-Q101 VanDerWaalsContact O-CA 3.31Å; N49-Q101 WeakPolarHBondContact O-CA 3.4Å; N49-V102 WeakPolarHBondContact CB-O 3.44Å; N49-V102 PolarHBondContact ND2-O 3.27Å; N49-V102 PolarHBondContact O-N 2.92Å; N49-V143 HydrophobicContact CB-CB 4.49Å; N49-V143 HydrophobicContact CB-CG1 3.87Å
50E97.6Very high97Very high49 Ų4955 Ų5523%0.22928%0.283CS..EExtended strand (participates in β ladder)trans-95.1138.2173.6-65.4-178.1177.800109.4M45 G47 K48 L80 I100 Q101M45-E50 HydrophobicContact CB-CB 3.86Å; M45-E50 WeakPolarHBondContact CB-O 3.27Å; M45-E50 HydrophobicContact CG-CB 4.45Å; M45-E50 PolarHBondContact N-O 2.8Å; M45-E50 HydrophobicContact SD-CB 4.1Å; G47-E50 WeakPolarHBondContact CA-OE2 3.18Å; G47-E50 PolarHBondContact O-N 3.25Å; K48-E50 PolarHBondContact O-N 2.86Å; K48-E50 VanDerWaalsContact O-N 3.13Å; E50-L80 HydrophobicContact CB-CD1 4.14Å; E50-L80 HydrophobicContact CG-CD1 3.87Å; E50-I100 CarbonylContact C-O 3.52Å; E50-I100 VanDerWaalsContact CA-O 3.25Å; E50-I100 WeakPolarHBondContact CA-O 3.42Å; E50-Q101 HydrophobicContact CG-CB 4.21Å; E50-Q101 HydrophobicContact CG-CG 4.29Å
51F97.7Very high96.7Very high25 Ų2555 Ų5511%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-140142.9-176.8-56.5-94.1000110.4V42 S43 P44 N49 I100 V102 I141 V143V42-F51 HydrophobicContact CG1-CB 3.7Å; V42-F51 HydrophobicContact CG1-CD1 3.81Å; V42-F51 HydrophobicContact CG1-CG 3.95Å; S43-F51 CarbonylContact O-C 3.54Å; S43-F51 WeakPolarHBondContact O-CA 3.31Å; P44-F51 HydrophobicContact CB-CD1 4.3Å; P44-F51 HydrophobicContact CB-CE1 4.32Å; N49-F51 VanDerWaalsContact C-CE2 3.48Å; N49-F51 HydrophobicContact CB-CE2 4.4Å; N49-F51 VanDerWaalsContact O-CD2 3.31Å; N49-F51 WeakPolarHBondContact O-CD2 3.43Å; N49-F51 VanDerWaalsContact O-CE2 3.3Å; N49-F51 WeakPolarHBondContact O-CE2 3.25Å; F51-I100 HydrophobicContact CB-CG1 4.05Å; F51-I100 PolarHBondContact N-O 3Å; F51-I100 WeakPolarHBondContact O-CG1 3.28Å; F51-I100 PolarHBondContact O-N 2.77Å; F51-V102 HydrophobicContact CD2-CB 4.44Å; F51-V102 HydrophobicContact CD2-CG2 3.93Å; F51-V102 HydrophobicContact CE2-CB 4.16Å; F51-V102 HydrophobicContact CE2-CG2 4.1Å; F51-I141 HydrophobicContact CD1-CG2 4.3Å; F51-I141 HydrophobicContact CD2-CG2 3.97Å; F51-I141 HydrophobicContact CE1-CG2 3.93Å; F51-I141 HydrophobicContact CE2-CG2 3.57Å; F51-I141 HydrophobicContact CG-CG2 4.32Å; F51-I141 HydrophobicContact CZ-CG2 3.55Å; F51-V143 HydrophobicContact CE2-CG1 4.02Å; F51-V143 HydrophobicContact CZ-CG1 4.22Å
52T97.8Very high96.3Very high40 Ų4054.7 Ų54.725%0.24530%0.302CS..EExtended strand (participates in β ladder)trans-94.4123.6164.9-62.60000108.2S43 M45 D99S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.86Å; M45-T52 WeakPolarHBondContact CG-OG1 3.3Å; M45-T52 PolarHBondContact SD-OG1 3.17Å; T52-D99 WeakPolarHBondContact CB-OD1 3.45Å; T52-D99 WeakPolarHBondContact CG2-OD1 3.44Å; T52-D99 PolarHBondContact OG1-OD1 2.03Å
53V98.2Very high96.1Very high0 Ų055.2 Ų55.20%030%0.303CS..EExtended strand (participates in β ladder)trans-95.6128.8173.7-176.20000107.9M40 I41 V42 F97 W98 I100 L108M40-V53 HydrophobicContact CE-CG1 4.48Å; M40-V53 HydrophobicContact CG-CG1 4.23Å; M40-V53 HydrophobicContact SD-CG1 4.28Å; I41-V53 WeakPolarHBondContact O-CA 3.31Å; V42-V53 HydrophobicContact CG2-CG1 4.45Å; V42-V53 HydrophobicContact CG2-CG2 4.32Å; V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.25Å; V53-W98 HydrophobicContact CB-CB 4.43Å; V53-W98 HydrophobicContact CB-CE3 4.42Å; V53-W98 WeakPolarHBondContact CB-O 3.33Å; V53-W98 HydrophobicContact CG1-CE3 4.2Å; V53-W98 PolarHBondContact N-O 2.84Å; V53-W98 PolarHBondContact O-N 2.65Å; V53-W98 VanDerWaalsContact O-N 3.07Å; V53-I100 HydrophobicContact CG2-CD1 3.6Å; V53-I100 HydrophobicContact CG2-CG1 3.91Å; V53-I100 HydrophobicContact CG2-CG2 4.43Å; V53-L108 HydrophobicContact CB-CD2 4.06Å; V53-L108 HydrophobicContact CG1-CD2 3.53Å; V53-L108 HydrophobicContact CG2-CD2 3.36Å
54T98.4Very high96Very high26 Ų2652.9 Ų52.916%0.1629%0.286CS..EExtended strand (participates in β ladder)trans-118.4119.6168.1-58.60000108.8M40 I41 K95 Y96 F97M40-T54 WeakPolarHBondContact CA-O 3.42Å; I41-T54 PolarHBondContact N-O 3Å; I41-T54 PolarHBondContact O-N 2.88Å; T54-K95 HydrophobicContact CG2-CB 4.27Å; T54-K95 HydrophobicContact CG2-CD 4.09Å; T54-K95 HydrophobicContact CG2-CG 4.34Å; T54-Y96 WeakPolarHBondContact CA-O 3.4Å; T54-F97 HydrophobicContact CG2-CD1 3.9Å; T54-F97 HydrophobicContact CG2-CE1 3.41Å; T54-F97 VanDerWaalsContact CG2-CE1 3.41Å; T54-F97 HydrophobicContact CG2-CZ 4.13Å; T54-F97 VanDerWaalsContact OG1-CD1 3.28Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.44Å; T54-F97 VanDerWaalsContact OG1-CE1 3.31Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.41Å
55L98.7Very high95.9Very high0 Ų047.9 Ų47.90%025%0.253CS..EExtended strand (participates in β ladder)trans-106.3113.3170.2-17863.2000108.8L38 M40 V57 V69 K95 Y96 W98 A137L38-L55 HydrophobicContact CB-CD1 4.07Å; L38-L55 HydrophobicContact CD2-CD1 4.2Å; L38-L55 HydrophobicContact CD2-CD2 4.45Å; L38-L55 HydrophobicContact CG-CD1 4.06Å; M40-L55 HydrophobicContact CB-CD1 4.01Å; M40-L55 HydrophobicContact CE-CD1 4.02Å; L55-V57 HydrophobicContact CD2-CG2 4.34Å; L55-V57 HydrophobicContact CG-CG2 4.16Å; L55-V69 HydrophobicContact CD2-CG1 3.6Å; L55-K95 WeakPolarHBondContact O-CA 3.49Å; L55-Y96 PolarHBondContact N-O 3.4Å; L55-Y96 WeakPolarHBondContact O-CD2 3.31Å; L55-Y96 PolarHBondContact O-N 3.08Å; L55-W98 HydrophobicContact CB-CZ3 3.87Å; L55-W98 HydrophobicContact CD2-CH2 4.41Å; L55-W98 HydrophobicContact CD2-CZ3 4.46Å; L55-A137 HydrophobicContact CD1-CB 4.2Å
56Q98.7Very high95.9Very high62 Ų6245.1 Ų45.129%0.2924%0.24SC..EExtended strand (participates in β ladder)trans-88.6124.3169.1179.7168.4-20.700109L38 D39 N94 K95L38-Q56 WeakPolarHBondContact CA-O 3.05Å; D39-Q56 HydrophobicContact CB-CB 4.39Å; D39-Q56 PolarHBondContact N-O 2.87Å; D39-Q56 PolarHBondContact O-N 2.64Å; Q56-N94 WeakPolarHBondContact CA-O 3.46Å; Q56-K95 HydrophobicContact CB-CG 4.23Å; Q56-K95 HydrophobicContact CG-CG 4.37Å
57V98.6Very high96.1Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-110.4122.2172.4-173.70000107.4L36 L38 L55 V69 L90 A93 N94 Y96 A112L36-V57 HydrophobicContact CD2-CG1 3.93Å; L38-V57 HydrophobicContact CD1-CG1 4.05Å; L38-V57 HydrophobicContact CD1-CG2 4.4Å; L38-V57 HydrophobicContact CG-CG2 4.32Å; L55-V57 HydrophobicContact CD2-CG2 4.34Å; L55-V57 HydrophobicContact CG-CG2 4.16Å; V57-V69 HydrophobicContact CG2-CG1 4.14Å; V57-V69 HydrophobicContact CG2-CG2 4.1Å; V57-L90 HydrophobicContact CB-CD2 4.33Å; V57-L90 HydrophobicContact CG1-CD2 3.64Å; V57-A93 VanDerWaalsContact O-CA 3.29Å; V57-A93 WeakPolarHBondContact O-CA 3.29Å; V57-N94 PolarHBondContact N-O 2.86Å; V57-N94 PolarHBondContact O-N 2.86Å; V57-Y96 HydrophobicContact CB-CE2 3.86Å; V57-Y96 HydrophobicContact CG2-CD2 3.82Å; V57-Y96 HydrophobicContact CG2-CE2 3.55Å; V57-A112 HydrophobicContact CG1-CB 3.94Å; V57-A112 HydrophobicContact CG2-CB 4.02Å
58K98.1Very high96.4Very high109 Ų10937.3 Ų37.347%0.47420%0.199SC..EExtended strand (participates in β ladder)trans-108.8133.5178-174.7179.9176.9-172.90109.7L36 S37 A93L36-K58 CarbonylContact C-O 3.54Å; L36-K58 VanDerWaalsContact CA-O 3.26Å; L36-K58 WeakPolarHBondContact CA-O 3.39Å; S37-K58 PolarHBondContact N-O 2.92Å; S37-K58 PolarHBondContact O-N 3.32Å; K58-A93 HydrophobicContact CB-CB 4.38Å; K58-A93 HydrophobicContact CG-CB 4.37Å
59N96.1Very high96.6Very high11 Ų1129.8 Ų29.86%0.05917%0.166CC..EExtended strand (participates in β ladder)trans-83.8125.7167.5-178-5000109.1V61 Q63 M65 L90 S92N59-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N59-V61 PolarHBondContact OD1-N 2.74Å; N59-V61 PolarHBondContact OD1-O 2.87Å; N59-V61 VanDerWaalsContact OD1-O 3.13Å; N59-Q63 PolarHBondContact ND2-O 3.45Å; N59-M65 WeakPolarHBondContact OD1-CE 3.38Å; N59-L90 HydrophobicContact CB-CD2 3.92Å; N59-L90 HydrophobicContact CB-CG 3.96Å; N59-L90 PolarHBondContact ND2-O 2.84Å; N59-S92 WeakPolarHBondContact CB-O 3.24Å; N59-S92 PolarHBondContact N-O 3.41Å
60N95.6Very high96.7Very high41 Ų4129.2 Ų29.222%0.21917%0.165CC..  trans-104.14.5-180-62.8-34.2000113.5N34 P35 L36 S37N34-N60 WeakPolarHBondContact O-CB 3.44Å; N34-N60 PolarHBondContact O-ND2 2.85Å; P35-N60 PolarHBondContact O-N 2.89Å; L36-N60 VanDerWaalsContact C-ND2 3.31Å; L36-N60 PolarHBondContact O-ND2 2.97Å; S37-N60 PolarHBondContact OG-ND2 3.07Å
61V92.8Very high96.7Very high11 Ų1127.1 Ų27.17%0.06716%0.156CC..SBendtrans-111.4157.2175-61.30000110.6P35 N59 Q63 M65 F128P35-V61 HydrophobicContact CB-CG1 4.19Å; N59-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N59-V61 PolarHBondContact OD1-N 2.74Å; N59-V61 PolarHBondContact OD1-O 2.87Å; N59-V61 VanDerWaalsContact OD1-O 3.13Å; V61-Q63 PolarHBondContact O-N 2.79Å; V61-M65 HydrophobicContact CG2-CE 3.26Å; V61-F128 HydrophobicContact CB-CD2 4.42Å; V61-F128 HydrophobicContact CB-CE2 4.49Å; V61-F128 HydrophobicContact CG1-CD2 4.45Å; V61-F128 HydrophobicContact CG1-CE2 4.05Å; V61-F128 HydrophobicContact CG1-CZ 4.31Å; V61-F128 HydrophobicContact CG2-CB 4.37Å; V61-F128 HydrophobicContact CG2-CD2 3.88Å; V61-F128 HydrophobicContact CG2-CE2 4.29Å; V61-F128 HydrophobicContact CG2-CG 4.02Å
62G90.4Very high96.7Very high80 Ų8029 Ų2983%0.82517%0.169SC*.SBendtrans-76.65.6-179.400000115
63Q92.5Very high96.6Very high42 Ų4232.6 Ų32.620%0.19618%0.184CC..SBendtrans-118140.5-176.8-64174.17.900109.3E30 N59 V61 K126 F128E30-Q63 PolarHBondContact OE1-NE2 2.84Å; N59-Q63 PolarHBondContact ND2-O 3.45Å; V61-Q63 PolarHBondContact O-N 2.79Å; Q63-K126 WeakPolarHBondContact CB-O 3.39Å; Q63-K126 HydrophobicContact CG-CB 4.39Å; Q63-F128 HydrophobicContact CB-CB 4.16Å
64C94.6Very high96.5Very high5 Ų533.8 Ų33.83%0.03419%0.191CC..BIsolated β-bridgetrans-65.8153.5175.8-61.90000110.6L90 C91 E125 K126 I127 F128C64-L90 WeakPolarHBondContact CA-O 3.46Å; C64-C91 HydrophobicContact CB-CB 4.11Å; C64-C91 WeakPolarHBondContact CB-SG 3.48Å; C64-C91 WeakPolarHBondContact SG-CB 3.5Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 2.86Å; C64-E125 HydrophobicContact CB-CB 4.36Å; C64-E125 VanDerWaalsContact SG-CD 3.54Å; C64-E125 PolarHBondContact SG-OE2 3.11Å; C64-E125 VanDerWaalsContact SG-OE2 3.38Å; C64-K126 PolarHBondContact N-O 2.77Å; C64-I127 HydrophobicContact CB-CD1 4.18Å; C64-I127 CarbonylContact O-C 3.5Å; C64-I127 VanDerWaalsContact O-CA 3.28Å; C64-I127 WeakPolarHBondContact O-CA 3.28Å; C64-F128 PolarHBondContact O-N 2.85Å
65M95.6Very high96.4Very high0 Ų038.9 Ų38.90%022%0.224CC..EExtended strand (participates in β ladder)trans-142.5150175.765.8-177.468.900111P35 L36 N59 V61 V67 L90 V114 F128P35-M65 HydrophobicContact CB-CE 4.07Å; L36-M65 HydrophobicContact CD1-SD 4.42Å; L36-M65 HydrophobicContact CD2-CE 4.39Å; L36-M65 HydrophobicContact CD2-SD 3.41Å; L36-M65 WeakPolarHBondContact CD2-SD 3.42Å; L36-M65 HydrophobicContact CG-SD 3.9Å; N59-M65 WeakPolarHBondContact OD1-CE 3.38Å; V61-M65 HydrophobicContact CG2-CE 3.26Å; M65-V67 HydrophobicContact CG-CG1 3.92Å; M65-V67 HydrophobicContact SD-CG1 4.22Å; M65-L90 HydrophobicContact CG-CB 4.36Å; M65-L90 PolarHBondContact N-O 2.82Å; M65-L90 PolarHBondContact O-N 2.89Å; M65-V114 HydrophobicContact CB-CG1 4.14Å; M65-V114 HydrophobicContact SD-CG1 4.38Å; M65-V114 HydrophobicContact SD-CG2 3.62Å; M65-F128 HydrophobicContact CB-CB 3.91Å; M65-F128 HydrophobicContact CE-CB 4.18Å; M65-F128 HydrophobicContact CE-CD1 3.8Å; M65-F128 HydrophobicContact CE-CE1 4.41Å; M65-F128 HydrophobicContact CE-CG 4.1Å
66V96.7Very high96.4Very high6 Ų640.1 Ų40.14%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-86.9120.9174.7-173.40000109T87 V114 V115 A117 I120V66-T87 HydrophobicContact CG1-CG2 3.92Å; V66-V114 WeakPolarHBondContact O-CA 3Å; V66-V115 HydrophobicContact CB-CG2 4.3Å; V66-V115 HydrophobicContact CG1-CG2 3.83Å; V66-V115 PolarHBondContact O-N 3.04Å; V66-A117 HydrophobicContact CG1-CB 4Å; V66-I120 HydrophobicContact CG1-CB 3.83Å; V66-I120 HydrophobicContact CG1-CG1 4.03Å; V66-I120 HydrophobicContact CG1-CG2 3.73Å; V66-I120 HydrophobicContact CG2-CB 3.97Å; V66-I120 HydrophobicContact CG2-CG2 4.32Å
67V97.7Very high96.3Very high0 Ų037.8 Ų37.80%022%0.222CC..EExtended strand (participates in β ladder)trans-111.7137.6179.1-62.60000110.9L36 M65 V69 T87 S88 L90 Y96 E113L36-V67 HydrophobicContact CD1-CG1 4.22Å; L36-V67 HydrophobicContact CD2-CG1 4.19Å; M65-V67 HydrophobicContact CG-CG1 3.92Å; M65-V67 HydrophobicContact SD-CG1 4.22Å; V67-V69 HydrophobicContact CB-CG2 4.2Å; V67-V69 HydrophobicContact CG2-CG2 3.86Å; V67-T87 VanDerWaalsContact O-CA 3.31Å; V67-T87 WeakPolarHBondContact O-CA 3.31Å; V67-S88 PolarHBondContact N-O 2.8Å; V67-S88 PolarHBondContact O-N 2.9Å; V67-L90 HydrophobicContact CG1-CB 4.08Å; V67-L90 HydrophobicContact CG1-CD2 3.9Å; V67-L90 HydrophobicContact CG2-CB 3.84Å; V67-L90 HydrophobicContact CG2-CD2 4.27Å; V67-Y96 WeakPolarHBondContact CG2-OH 3.28Å; V67-E113 CarbonylContact C-O 3.59Å; V67-E113 VanDerWaalsContact CA-O 3.28Å; V67-E113 WeakPolarHBondContact CA-O 3.48Å
68K98Very high96.3Very high85 Ų8543.9 Ų43.937%0.3725%0.249SC..EExtended strand (participates in β ladder)trans-102.3117.9165.4-175.6178.9179.4-179.30108.3I85 Y86 A112 E113 V115K68-I85 HydrophobicContact CD-CG2 4.26Å; K68-I85 VanDerWaalsContact CE-CG2 3.46Å; K68-I85 HydrophobicContact CG-CG2 3.77Å; K68-Y86 CarbonylContact C-O 3.54Å; K68-Y86 VanDerWaalsContact CA-O 3.31Å; K68-Y86 WeakPolarHBondContact CA-O 3.42Å; K68-A112 WeakPolarHBondContact O-CA 3.21Å; K68-E113 PolarHBondContact N-O 3.12Å; K68-E113 PolarHBondContact O-N 2.75Å; K68-V115 HydrophobicContact CB-CG1 3.82Å; K68-V115 HydrophobicContact CB-CG2 4.21Å
69V98.5Very high96.3Very high0 Ų039.9 Ų39.90%023%0.231CC..EExtended strand (participates in β ladder)trans-116.4129.3-174.8-1690000110L55 V57 V67 Y86 Y96 W98 K111 A112L55-V69 HydrophobicContact CD2-CG1 3.6Å; V57-V69 HydrophobicContact CG2-CG1 4.14Å; V57-V69 HydrophobicContact CG2-CG2 4.1Å; V67-V69 HydrophobicContact CB-CG2 4.2Å; V67-V69 HydrophobicContact CG2-CG2 3.86Å; V69-Y86 PolarHBondContact N-O 2.96Å; V69-Y86 PolarHBondContact O-N 2.78Å; V69-Y96 HydrophobicContact CB-CD1 4.12Å; V69-Y96 HydrophobicContact CB-CD2 4.18Å; V69-Y96 HydrophobicContact CB-CE1 4.16Å; V69-Y96 HydrophobicContact CB-CE2 4.26Å; V69-Y96 HydrophobicContact CB-CG 4.11Å; V69-Y96 HydrophobicContact CG1-CD1 4.39Å; V69-Y96 HydrophobicContact CG1-CD2 3.78Å; V69-Y96 HydrophobicContact CG1-CE2 4.22Å; V69-Y96 HydrophobicContact CG1-CG 3.88Å; V69-Y96 HydrophobicContact CG2-CD1 4.37Å; V69-Y96 HydrophobicContact CG2-CD2 4.1Å; V69-Y96 HydrophobicContact CG2-CE1 3.94Å; V69-Y96 HydrophobicContact CG2-CE2 3.68Å; V69-Y96 HydrophobicContact CG2-CG 4.42Å; V69-W98 HydrophobicContact CG1-CH2 4.07Å; V69-K111 WeakPolarHBondContact CA-O 2.98Å; V69-A112 HydrophobicContact CG2-CB 4.23Å
70S98.3Very high96.3Very high22 Ų2242.4 Ų42.415%0.15424%0.244CC..EExtended strand (participates in β ladder)trans-150.1171.7-174.1620000110.9G110 K111S70-G110 WeakPolarHBondContact O-CA 3.5Å; S70-K111 PolarHBondContact N-O 2.82Å; S70-K111 PolarHBondContact O-N 2.99Å
71T98.1Very high96.1Very high5 Ų544.8 Ų44.83%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-114142.516743.20000109.6Y79 H83 W98 L108 Q109T71-Y79 VanDerWaalsContact CB-OH 3.29Å; T71-Y79 WeakPolarHBondContact CB-OH 3.48Å; T71-Y79 PolarHBondContact OG1-OH 2.81Å; T71-H83 PolarHBondContact O-CE1 2.92Å; T71-H83 PolarHBondContact O-NE2 2.9Å; T71-H83 PolarHBondContact OG1-CD2 2.84Å; T71-H83 PolarHBondContact OG1-NE2 3.01Å; T71-H83 VanDerWaalsContact OG1-NE2 3.08Å; T71-W98 HydrophobicContact CG2-CD2 3.95Å; T71-W98 HydrophobicContact CG2-CE3 3.92Å; T71-W98 HydrophobicContact CG2-CH2 4.13Å; T71-W98 HydrophobicContact CG2-CZ2 4.13Å; T71-W98 HydrophobicContact CG2-CZ3 4.02Å; T71-L108 HydrophobicContact CG2-CD1 4.01Å; T71-L108 HydrophobicContact CG2-CG 4.5Å; T71-Q109 CarbonylContact C-O 3.56Å; T71-Q109 VanDerWaalsContact CA-O 3.24Å; T71-Q109 WeakPolarHBondContact CA-O 3.24Å
72V97.2Very high96.1Very high65 Ų6547.9 Ų47.939%0.39429%0.29SS..  trans-69.8138.5176-178.50000109N74 Q109V72-N74 PolarHBondContact O-N 2.9Å; V72-Q109 HydrophobicContact CB-CB 4Å; V72-Q109 HydrophobicContact CG2-CB 3.75Å; V72-Q109 PolarHBondContact N-O 2.87Å
73M95.8Very high96.3Very high115 Ų11547.5 Ų47.557%0.56727%0.267SS*.  trans-64.7134.9-179.6-167.683.6-62.500111.8Y79 H83M73-Y79 HydrophobicContact CE-CD2 4.19Å; M73-Y79 HydrophobicContact CE-CE2 3.43Å; M73-Y79 VanDerWaalsContact CE-CE2 3.43Å; M73-H83 VanDerWaalsContact CE-CE1 3.41Å; M73-H83 WeakPolarHBondContact CE-CE1 3.5Å; M73-H83 WeakPolarHBondContact CE-ND1 3.34Å
74N96.3Very high96.5Very high25 Ų2546.8 Ų46.813%0.13427%0.268CS..  trans-138.9122.1178.8-176.2-34.6000109V72 S76 I77 T106 A107V72-N74 PolarHBondContact O-N 2.9Å; N74-S76 PolarHBondContact O-N 3.17Å; N74-S76 WeakPolarHBondContact OD1-CB 3.49Å; N74-S76 PolarHBondContact OD1-N 2.79Å; N74-I77 HydrophobicContact CB-CB 4.24Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.92Å; N74-I77 PolarHBondContact O-N 2.82Å; N74-T106 PolarHBondContact ND2-OG1 2.8Å; N74-T106 PolarHBondContact OD1-OG1 2.83Å; N74-A107 PolarHBondContact ND2-O 2.91Å
75P96.6Very high96.6Very high132 Ų13251.1 Ų51.186%0.85729%0.29SS*.THydrogen-bonded Turntrans-65.6-19.7-176.326.8-34.8000114.1I77P75-I77 VanDerWaalsContact C-N 3.25Å; P75-I77 PolarHBondContact O-N 2.87Å
76S97.6Very high96.7Very high27 Ų2755.1 Ų55.119%0.18931%0.306CS..THydrogen-bonded Turntrans-81.6-1.9174.4-550000113.3N74 V102 S103N74-S76 PolarHBondContact O-N 3.17Å; N74-S76 WeakPolarHBondContact OD1-CB 3.49Å; N74-S76 PolarHBondContact OD1-N 2.79Å; S76-V102 WeakPolarHBondContact O-CA 3.33Å; S76-S103 WeakPolarHBondContact CA-OG 3.47Å; S76-S103 PolarHBondContact O-N 2.85Å; S76-S103 PolarHBondContact O-OG 3.3Å
77I98Very high96.7Very high12 Ų1258 Ų586%0.06232%0.324CS..EExtended strand (participates in β ladder)trans-118.1119.2-175.3-57.3-175000109.7N74 P75 Y79 I100 V102 T106 L108N74-I77 HydrophobicContact CB-CB 4.24Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.92Å; N74-I77 PolarHBondContact O-N 2.82Å; P75-I77 VanDerWaalsContact C-N 3.25Å; P75-I77 PolarHBondContact O-N 2.87Å; I77-Y79 HydrophobicContact CG2-CE2 4.06Å; I77-I100 HydrophobicContact CD1-CD1 4.49Å; I77-I100 HydrophobicContact CG2-CB 3.79Å; I77-I100 HydrophobicContact CG2-CD1 3.93Å; I77-I100 HydrophobicContact CG2-CG1 4.43Å; I77-I100 HydrophobicContact CG2-CG2 3.78Å; I77-V102 HydrophobicContact CG1-CG2 4.36Å; I77-T106 HydrophobicContact CD1-CG2 4.04Å; I77-T106 HydrophobicContact CG1-CG2 3.92Å; I77-L108 HydrophobicContact CD1-CB 3.97Å; I77-L108 HydrophobicContact CD1-CD1 3.69Å; I77-L108 HydrophobicContact CD1-CG 4.39Å
78K97.5Very high96.7Very high128 Ų12859.2 Ų59.256%0.55733%0.332SS*.EExtended strand (participates in β ladder)trans-101.9128.9169.4179.6-175174-169.30109.2I100 Q101K78-I100 CarbonylContact O-C 3.5Å; K78-I100 VanDerWaalsContact O-CA 3.27Å; K78-I100 WeakPolarHBondContact O-CA 3.23Å; K78-Q101 PolarHBondContact N-O 2.92Å; K78-Q101 PolarHBondContact O-N 2.93Å
79Y97.7Very high96.7Very high26 Ų2656.7 Ų56.710%0.10232%0.324CS..EExtended strand (participates in β ladder)trans-79.8127.4172.6-65.7-101.9000108.7T71 M73 I77 S81 H83 W98 I100T71-Y79 VanDerWaalsContact CB-OH 3.29Å; T71-Y79 WeakPolarHBondContact CB-OH 3.48Å; T71-Y79 PolarHBondContact OG1-OH 2.81Å; M73-Y79 HydrophobicContact CE-CD2 4.19Å; M73-Y79 HydrophobicContact CE-CE2 3.43Å; M73-Y79 VanDerWaalsContact CE-CE2 3.43Å; I77-Y79 HydrophobicContact CG2-CE2 4.06Å; Y79-S81 VanDerWaalsContact C-N 3.27Å; Y79-S81 CarbonylContact C-O 3.52Å; Y79-S81 WeakPolarHBondContact CB-O 3.34Å; Y79-H83 HydrophobicContact CD1-CB 4.16Å; Y79-H83 HydrophobicContact CD2-CB 3.88Å; Y79-H83 HydrophobicContact CE1-CB 4.41Å; Y79-H83 AromaticContact CE1-CD2 3.43Å; Y79-H83 VanDerWaalsContact CE1-CD2 3.43Å; Y79-H83 WeakPolarHBondContact CE1-CD2 3.31Å; Y79-H83 HydrophobicContact CE2-CB 4.21Å; Y79-H83 AromaticContact CE2-CD2 3.72Å; Y79-H83 AromaticContact CE2-CG 3.87Å; Y79-H83 HydrophobicContact CG-CB 3.88Å; Y79-H83 AromaticContact CZ-CD2 3.26Å; Y79-H83 AromaticContact CZ-CG 3.9Å; Y79-H83 AromaticContact CZ-NE2 3.69Å; Y79-H83 PolarHBondContact OH-CD2 2.95Å; Y79-H83 PolarHBondContact OH-NE2 3.44Å; Y79-W98 HydrophobicContact CD1-CB 4.11Å; Y79-W98 AromaticContact CD1-CD1 3.79Å; Y79-W98 HydrophobicContact CD1-CG 4.22Å; Y79-W98 HydrophobicContact CE1-CB 4.05Å; Y79-W98 AromaticContact CE1-CD1 3.63Å; Y79-W98 AromaticContact CE1-CG 3.92Å; Y79-W98 HydrophobicContact CE1-CG 3.92Å; Y79-I100 HydrophobicContact CD1-CG2 3.8Å; Y79-I100 HydrophobicContact CE1-CG2 3.91Å; Y79-I100 HydrophobicContact CG-CG2 4.28Å
80L97Very high96.6Very high63 Ų6356.8 Ų56.833%0.3333%0.325SS..SBendtrans-72.8-27.6179.2-66.1-178.9000111.5M45 E50 D99 Q101M45-L80 HydrophobicContact CE-CD1 4.48Å; M45-L80 HydrophobicContact SD-CD1 4.27Å; E50-L80 HydrophobicContact CB-CD1 4.14Å; E50-L80 HydrophobicContact CG-CD1 3.87Å; L80-D99 HydrophobicContact CB-CB 4.15Å; L80-D99 HydrophobicContact CD1-CB 4.22Å; L80-D99 PolarHBondContact N-O 2.95Å; L80-Q101 HydrophobicContact CD2-CB 3.83Å; L80-Q101 HydrophobicContact CG-CB 4.39Å
81S91.3Very high96.4Very high92 Ų9258.5 Ų58.564%0.64334%0.337SS*.SBendtrans-112.6-149168.1-65.70000109.8Y79Y79-S81 VanDerWaalsContact C-N 3.27Å; Y79-S81 CarbonylContact C-O 3.52Å; Y79-S81 WeakPolarHBondContact CB-O 3.34Å
82A92.2Very high96.4Very high75 Ų7562.3 Ų62.362%0.6236%0.363SS*.  trans-71.1145.9173.700000112A84A82-A84 PolarHBondContact O-N 2.91Å
83H95.8Very high96.4Very high73 Ų7361.3 Ų61.334%0.33836%0.362SS..  trans-72.971.2161.4-178.2-155.9000109.2T71 M73 Y79T71-H83 PolarHBondContact O-CE1 2.92Å; T71-H83 PolarHBondContact O-NE2 2.9Å; T71-H83 PolarHBondContact OG1-CD2 2.84Å; T71-H83 PolarHBondContact OG1-NE2 3.01Å; T71-H83 VanDerWaalsContact OG1-NE2 3.08Å; M73-H83 VanDerWaalsContact CE-CE1 3.41Å; M73-H83 WeakPolarHBondContact CE-CE1 3.5Å; M73-H83 WeakPolarHBondContact CE-ND1 3.34Å; Y79-H83 HydrophobicContact CD1-CB 4.16Å; Y79-H83 HydrophobicContact CD2-CB 3.88Å; Y79-H83 HydrophobicContact CE1-CB 4.41Å; Y79-H83 AromaticContact CE1-CD2 3.43Å; Y79-H83 VanDerWaalsContact CE1-CD2 3.43Å; Y79-H83 WeakPolarHBondContact CE1-CD2 3.31Å; Y79-H83 HydrophobicContact CE2-CB 4.21Å; Y79-H83 AromaticContact CE2-CD2 3.72Å; Y79-H83 AromaticContact CE2-CG 3.87Å; Y79-H83 HydrophobicContact CG-CB 3.88Å; Y79-H83 AromaticContact CZ-CD2 3.26Å; Y79-H83 AromaticContact CZ-CG 3.9Å; Y79-H83 AromaticContact CZ-NE2 3.69Å; Y79-H83 PolarHBondContact OH-CD2 2.95Å; Y79-H83 PolarHBondContact OH-NE2 3.44Å
84A95.2Very high96.5Very high26 Ų2659.3 Ų59.322%0.21535%0.353CS..  trans-68.9139.9-171.300000111.8A82 Y86 W98A82-A84 PolarHBondContact O-N 2.91Å; A84-Y86 HydrophobicContact CB-CE1 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-W98 PolarHBondContact O-NE1 2.94Å
85I97.8Very high96.6Very high96 Ų9663.2 Ų63.249%0.49237%0.369SS..  trans-109.9119.9166.3-60.8173.2000106.7K68K68-I85 HydrophobicContact CD-CG2 4.26Å; K68-I85 VanDerWaalsContact CE-CG2 3.46Å; K68-I85 HydrophobicContact CG-CG2 3.77Å
86Y97.6Very high96.7Very high84 Ų8457.2 Ų57.233%0.32933%0.33SS..EExtended strand (participates in β ladder)trans-93.3141.2-179.9-59.1-82.9000109.9K68 V69 A84 Y96 F97 W98K68-Y86 CarbonylContact C-O 3.54Å; K68-Y86 VanDerWaalsContact CA-O 3.31Å; K68-Y86 WeakPolarHBondContact CA-O 3.42Å; V69-Y86 PolarHBondContact N-O 2.96Å; V69-Y86 PolarHBondContact O-N 2.78Å; A84-Y86 HydrophobicContact CB-CE1 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; Y86-Y96 HydrophobicContact CD1-CD1 4.26Å; Y86-Y96 AromaticContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CG 4.31Å; Y86-Y96 AromaticContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CE1 4.3Å; Y86-F97 PolarHBondContact OH-O 3.04Å; Y86-W98 HydrophobicContact CD2-CH2 4.17Å; Y86-W98 AromaticContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CE2-CD2 4.43Å; Y86-W98 AromaticContact CE2-CE2 3.64Å; Y86-W98 HydrophobicContact CE2-CH2 4.17Å; Y86-W98 AromaticContact CE2-CZ2 3.5Å; Y86-W98 HydrophobicContact CE2-CZ2 3.5Å; Y86-W98 VanDerWaalsContact CE2-CZ2 3.5Å; Y86-W98 AromaticContact CE2-NE1 3.82Å
87T97.3Very high96.7Very high68 Ų6860.6 Ų60.642%0.41734%0.341SS..EExtended strand (participates in β ladder)trans-131123.8167.6-58.30000107.6V66 V67 I120V66-T87 HydrophobicContact CG1-CG2 3.92Å; V67-T87 VanDerWaalsContact O-CA 3.31Å; V67-T87 WeakPolarHBondContact O-CA 3.31Å; T87-I120 HydrophobicContact CG2-CD1 4.38Å; T87-I120 HydrophobicContact CG2-CG1 4.26Å
88S97.1Very high96.7Very high25 Ų2560.4 Ų60.418%0.17534%0.339CS..EExtended strand (participates in β ladder)trans-153.3158.4-175.255.10000112.1V67 Y96 I120V67-S88 PolarHBondContact N-O 2.8Å; V67-S88 PolarHBondContact O-N 2.9Å; S88-Y96 PolarHBondContact OG-OH 3.43Å; S88-I120 VanDerWaalsContact C-CG2 3.47Å
89C97.1Very high96.7Very high31 Ų3157 Ų5721%0.20933%0.328CS..EExtended strand (participates in β ladder)trans-76.1128168.9-167.90000109.6I120 C121C89-I120 HydrophobicContact CB-CG2 4.39Å; C89-C121 VanDerWaalsContact CA-SG 3.59Å; C89-C121 HydrophobicContact CB-CB 3.84Å; C89-C121 WeakPolarHBondContact CB-SG 3.21Å; C89-C121 WeakPolarHBondContact SG-CA 3.45Å; C89-C121 WeakPolarHBondContact SG-CB 3.12Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.38Å
90L97.1Very high96.7Very high2 Ų255.8 Ų55.81%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-118.3104.3-178.7-174.174.3000110L36 V57 N59 C64 M65 V67 N94L36-L90 HydrophobicContact CD2-CD2 3.6Å; V57-L90 HydrophobicContact CB-CD2 4.33Å; V57-L90 HydrophobicContact CG1-CD2 3.64Å; N59-L90 HydrophobicContact CB-CD2 3.92Å; N59-L90 HydrophobicContact CB-CG 3.96Å; N59-L90 PolarHBondContact ND2-O 2.84Å; C64-L90 WeakPolarHBondContact CA-O 3.46Å; M65-L90 HydrophobicContact CG-CB 4.36Å; M65-L90 PolarHBondContact N-O 2.82Å; M65-L90 PolarHBondContact O-N 2.89Å; V67-L90 HydrophobicContact CG1-CB 4.08Å; V67-L90 HydrophobicContact CG1-CD2 3.9Å; V67-L90 HydrophobicContact CG2-CB 3.84Å; V67-L90 HydrophobicContact CG2-CD2 4.27Å; L90-N94 HydrophobicContact CD1-CB 3.74Å
91C95.3Very high96.7Very high59 Ų5955.8 Ų55.840%0.39932%0.321SS..SBendtrans-101-22.9177.4-57.50000113.3C64C64-C91 HydrophobicContact CB-CB 4.11Å; C64-C91 WeakPolarHBondContact CB-SG 3.48Å; C64-C91 WeakPolarHBondContact SG-CB 3.5Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 2.86Å
92S96.3Very high97.1Very high84 Ų8451.5 Ų51.559%0.58729%0.291SS*.SBendtrans-139.6-87.4-178.8600000111.5N59N59-S92 WeakPolarHBondContact CB-O 3.24Å; N59-S92 PolarHBondContact N-O 3.41Å
93A97.6Very high97.3Very high45 Ų4551.1 Ų51.137%0.37228%0.284SS..EExtended strand (participates in β ladder)trans-144.6147172.700000109.2V57 K58V57-A93 VanDerWaalsContact O-CA 3.29Å; V57-A93 WeakPolarHBondContact O-CA 3.29Å; K58-A93 HydrophobicContact CB-CB 4.38Å; K58-A93 HydrophobicContact CG-CB 4.37Å
94N98.3Very high97.3Very high72 Ų7252.4 Ų52.439%0.38529%0.293SS..EExtended strand (participates in β ladder)trans-140158.2172.8-154.85.9000110.6Q56 V57 L90 Y96Q56-N94 WeakPolarHBondContact CA-O 3.46Å; V57-N94 PolarHBondContact N-O 2.86Å; V57-N94 PolarHBondContact O-N 2.86Å; L90-N94 HydrophobicContact CD1-CB 3.74Å; N94-Y96 HydrophobicContact CB-CE2 4.13Å
95K98.3Very high97.4Very high107 Ų10756.1 Ų56.147%0.46531%0.31SS..EExtended strand (participates in β ladder)trans-115.7137.6179.7-66-177.1176.6-176.90110.4T54 L55 Q56 F97T54-K95 HydrophobicContact CG2-CB 4.27Å; T54-K95 HydrophobicContact CG2-CD 4.09Å; T54-K95 HydrophobicContact CG2-CG 4.34Å; L55-K95 WeakPolarHBondContact O-CA 3.49Å; Q56-K95 HydrophobicContact CB-CG 4.23Å; Q56-K95 HydrophobicContact CG-CG 4.37Å; K95-F97 HydrophobicContact CB-CE1 4.25Å; K95-F97 HydrophobicContact CB-CE2 3.63Å; K95-F97 HydrophobicContact CB-CZ 3.39Å; K95-F97 HydrophobicContact CD-CZ 4.12Å; K95-F97 HydrophobicContact CG-CZ 4.39Å; K95-F97 WeakPolarHBondContact O-CE2 3.32Å
96Y98.2Very high97.4Very high7 Ų752.8 Ų52.83%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-124145.2179.4-50.5-90.6000108.8T54 L55 V57 V67 V69 Y86 S88 N94T54-Y96 WeakPolarHBondContact CA-O 3.4Å; L55-Y96 PolarHBondContact N-O 3.4Å; L55-Y96 WeakPolarHBondContact O-CD2 3.31Å; L55-Y96 PolarHBondContact O-N 3.08Å; V57-Y96 HydrophobicContact CB-CE2 3.86Å; V57-Y96 HydrophobicContact CG2-CD2 3.82Å; V57-Y96 HydrophobicContact CG2-CE2 3.55Å; V67-Y96 WeakPolarHBondContact CG2-OH 3.28Å; V69-Y96 HydrophobicContact CB-CD1 4.12Å; V69-Y96 HydrophobicContact CB-CD2 4.18Å; V69-Y96 HydrophobicContact CB-CE1 4.16Å; V69-Y96 HydrophobicContact CB-CE2 4.26Å; V69-Y96 HydrophobicContact CB-CG 4.11Å; V69-Y96 HydrophobicContact CG1-CD1 4.39Å; V69-Y96 HydrophobicContact CG1-CD2 3.78Å; V69-Y96 HydrophobicContact CG1-CE2 4.22Å; V69-Y96 HydrophobicContact CG1-CG 3.88Å; V69-Y96 HydrophobicContact CG2-CD1 4.37Å; V69-Y96 HydrophobicContact CG2-CD2 4.1Å; V69-Y96 HydrophobicContact CG2-CE1 3.94Å; V69-Y96 HydrophobicContact CG2-CE2 3.68Å; V69-Y96 HydrophobicContact CG2-CG 4.42Å; Y86-Y96 HydrophobicContact CD1-CD1 4.26Å; Y86-Y96 AromaticContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CG 4.31Å; Y86-Y96 AromaticContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CE1 4.3Å; S88-Y96 PolarHBondContact OG-OH 3.43Å; N94-Y96 HydrophobicContact CB-CE2 4.13Å
97F97.5Very high97.4Very high97 Ų9750.5 Ų50.543%0.42529%0.292SS..EExtended strand (participates in β ladder)trans-134.7143-165.8-53.6-90.5000111.8V53 T54 Y86 K95V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.25Å; T54-F97 HydrophobicContact CG2-CD1 3.9Å; T54-F97 HydrophobicContact CG2-CE1 3.41Å; T54-F97 VanDerWaalsContact CG2-CE1 3.41Å; T54-F97 HydrophobicContact CG2-CZ 4.13Å; T54-F97 VanDerWaalsContact OG1-CD1 3.28Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.44Å; T54-F97 VanDerWaalsContact OG1-CE1 3.31Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.41Å; Y86-F97 PolarHBondContact OH-O 3.04Å; K95-F97 HydrophobicContact CB-CE1 4.25Å; K95-F97 HydrophobicContact CB-CE2 3.63Å; K95-F97 HydrophobicContact CB-CZ 3.39Å; K95-F97 HydrophobicContact CD-CZ 4.12Å; K95-F97 HydrophobicContact CG-CZ 4.39Å; K95-F97 WeakPolarHBondContact O-CE2 3.32Å
98W98.2Very high97.5Very high8 Ų847.3 Ų47.33%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-141.3135.3168.8-59.7-94.6000108.9V53 L55 V69 T71 Y79 A84 Y86 I100V53-W98 HydrophobicContact CB-CB 4.43Å; V53-W98 HydrophobicContact CB-CE3 4.42Å; V53-W98 WeakPolarHBondContact CB-O 3.33Å; V53-W98 HydrophobicContact CG1-CE3 4.2Å; V53-W98 PolarHBondContact N-O 2.84Å; V53-W98 PolarHBondContact O-N 2.65Å; V53-W98 VanDerWaalsContact O-N 3.07Å; L55-W98 HydrophobicContact CB-CZ3 3.87Å; L55-W98 HydrophobicContact CD2-CH2 4.41Å; L55-W98 HydrophobicContact CD2-CZ3 4.46Å; V69-W98 HydrophobicContact CG1-CH2 4.07Å; T71-W98 HydrophobicContact CG2-CD2 3.95Å; T71-W98 HydrophobicContact CG2-CE3 3.92Å; T71-W98 HydrophobicContact CG2-CH2 4.13Å; T71-W98 HydrophobicContact CG2-CZ2 4.13Å; T71-W98 HydrophobicContact CG2-CZ3 4.02Å; Y79-W98 HydrophobicContact CD1-CB 4.11Å; Y79-W98 AromaticContact CD1-CD1 3.79Å; Y79-W98 HydrophobicContact CD1-CG 4.22Å; Y79-W98 HydrophobicContact CE1-CB 4.05Å; Y79-W98 AromaticContact CE1-CD1 3.63Å; Y79-W98 AromaticContact CE1-CG 3.92Å; Y79-W98 HydrophobicContact CE1-CG 3.92Å; A84-W98 PolarHBondContact O-NE1 2.94Å; Y86-W98 HydrophobicContact CD2-CH2 4.17Å; Y86-W98 AromaticContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CE2-CD2 4.43Å; Y86-W98 AromaticContact CE2-CE2 3.64Å; Y86-W98 HydrophobicContact CE2-CH2 4.17Å; Y86-W98 AromaticContact CE2-CZ2 3.5Å; Y86-W98 HydrophobicContact CE2-CZ2 3.5Å; Y86-W98 VanDerWaalsContact CE2-CZ2 3.5Å; Y86-W98 AromaticContact CE2-NE1 3.82Å; W98-I100 HydrophobicContact CB-CG2 4.27Å
99D97.7Very high97.5Very high57 Ų5750 Ų5031%0.30528%0.282SS..EExtended strand (participates in β ladder)trans-95.2127.9166.6-67.6-27.2000108.8M45 T52 L80M45-D99 HydrophobicContact CE-CB 4.27Å; M45-D99 HydrophobicContact SD-CB 4.11Å; T52-D99 WeakPolarHBondContact CB-OD1 3.45Å; T52-D99 WeakPolarHBondContact CG2-OD1 3.44Å; T52-D99 PolarHBondContact OG1-OD1 2.03Å; L80-D99 HydrophobicContact CB-CB 4.15Å; L80-D99 HydrophobicContact CD1-CB 4.22Å; L80-D99 PolarHBondContact N-O 2.95Å
100I98Very high97.6Very high0 Ų048.5 Ų48.50%027%0.272CS..EExtended strand (participates in β ladder)trans-132156.5-173.363.6171000111.5E50 F51 V53 I77 K78 Y79 W98 V102 L108 I141E50-I100 CarbonylContact C-O 3.52Å; E50-I100 VanDerWaalsContact CA-O 3.25Å; E50-I100 WeakPolarHBondContact CA-O 3.42Å; F51-I100 HydrophobicContact CB-CG1 4.05Å; F51-I100 PolarHBondContact N-O 3Å; F51-I100 WeakPolarHBondContact O-CG1 3.28Å; F51-I100 PolarHBondContact O-N 2.77Å; V53-I100 HydrophobicContact CG2-CD1 3.6Å; V53-I100 HydrophobicContact CG2-CG1 3.91Å; V53-I100 HydrophobicContact CG2-CG2 4.43Å; I77-I100 HydrophobicContact CD1-CD1 4.49Å; I77-I100 HydrophobicContact CG2-CB 3.79Å; I77-I100 HydrophobicContact CG2-CD1 3.93Å; I77-I100 HydrophobicContact CG2-CG1 4.43Å; I77-I100 HydrophobicContact CG2-CG2 3.78Å; K78-I100 CarbonylContact O-C 3.5Å; K78-I100 VanDerWaalsContact O-CA 3.27Å; K78-I100 WeakPolarHBondContact O-CA 3.23Å; Y79-I100 HydrophobicContact CD1-CG2 3.8Å; Y79-I100 HydrophobicContact CE1-CG2 3.91Å; Y79-I100 HydrophobicContact CG-CG2 4.28Å; W98-I100 HydrophobicContact CB-CG2 4.27Å; I100-V102 HydrophobicContact CD1-CG2 3.93Å; I100-V102 HydrophobicContact CG1-CG2 4.36Å; I100-L108 HydrophobicContact CD1-CD2 4.23Å; I100-I141 HydrophobicContact CD1-CD1 3.7Å
101Q97.8Very high97.6Very high64 Ų6451.2 Ų51.230%0.29928%0.284SS..EExtended strand (participates in β ladder)trans-120.2134.9166.2-179.2172.658.300109.1K48 N49 E50 K78 L80K48-Q101 PolarHBondContact O-NE2 2.97Å; N49-Q101 CarbonylContact O-C 3.51Å; N49-Q101 VanDerWaalsContact O-CA 3.31Å; N49-Q101 WeakPolarHBondContact O-CA 3.4Å; E50-Q101 HydrophobicContact CG-CB 4.21Å; E50-Q101 HydrophobicContact CG-CG 4.29Å; K78-Q101 PolarHBondContact N-O 2.92Å; K78-Q101 PolarHBondContact O-N 2.93Å; L80-Q101 HydrophobicContact CD2-CB 3.83Å; L80-Q101 HydrophobicContact CG-CB 4.39Å
102V97.9Very high97.8Very high2 Ų248.4 Ų48.41%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-114.2129.8-173.7-179.40000110.5N49 F51 S76 I77 I100 D104 T106 I141 V143N49-V102 WeakPolarHBondContact CB-O 3.44Å; N49-V102 PolarHBondContact ND2-O 3.27Å; N49-V102 PolarHBondContact O-N 2.92Å; F51-V102 HydrophobicContact CD2-CB 4.44Å; F51-V102 HydrophobicContact CD2-CG2 3.93Å; F51-V102 HydrophobicContact CE2-CB 4.16Å; F51-V102 HydrophobicContact CE2-CG2 4.1Å; S76-V102 WeakPolarHBondContact O-CA 3.33Å; I77-V102 HydrophobicContact CG1-CG2 4.36Å; I100-V102 HydrophobicContact CD1-CG2 3.93Å; I100-V102 HydrophobicContact CG1-CG2 4.36Å; V102-D104 WeakPolarHBondContact CG1-O 3.46Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; V102-I141 HydrophobicContact CG2-CD1 4.12Å; V102-I141 HydrophobicContact CG2-CG2 4.18Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.8Å
103S97Very high97.8Very high67 Ų6746.9 Ų46.947%0.46925%0.249SC..SBendtrans-81.4-40.1-179.864.40000113S76S76-S103 WeakPolarHBondContact CA-OG 3.47Å; S76-S103 PolarHBondContact O-N 2.85Å; S76-S103 PolarHBondContact O-OG 3.3Å
104D96.4Very high97.8Very high99 Ų9944.9 Ų44.953%0.52923%0.231SC..SBendtrans-144163.3-171.4-53.5-71.4000110.9V102 T106V102-D104 WeakPolarHBondContact CG1-O 3.46Å; D104-T106 WeakPolarHBondContact O-CB 3.45Å; D104-T106 PolarHBondContact O-N 3.44Å; D104-T106 VanDerWaalsContact O-N 3.17Å
105N97.5Very high97.6Very high105 Ų10542.6 Ų42.656%0.56122%0.22SC*.SBendtrans-53123.9174.4-69.5-21000110.5I142 V143N105-I142 WeakPolarHBondContact OD1-CA 3.26Å; N105-I142 WeakPolarHBondContact OD1-CG2 3.21Å; N105-V143 PolarHBondContact OD1-N 3.31Å; N105-V143 PolarHBondContact OD1-O 3.06Å
106T97.9Very high97.3Very high26 Ų2642.3 Ų42.316%0.1623%0.229CC..EExtended strand (participates in β ladder)trans-152.3179.7-170-157.40000112.4N74 I77 V102 D104 K140 I141N74-T106 PolarHBondContact ND2-OG1 2.8Å; N74-T106 PolarHBondContact OD1-OG1 2.83Å; I77-T106 HydrophobicContact CD1-CG2 4.04Å; I77-T106 HydrophobicContact CG1-CG2 3.92Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; D104-T106 WeakPolarHBondContact O-CB 3.45Å; D104-T106 PolarHBondContact O-N 3.44Å; D104-T106 VanDerWaalsContact O-N 3.17Å; T106-K140 WeakPolarHBondContact O-CA 3.14Å; T106-I141 PolarHBondContact N-O 3.05Å; T106-I141 PolarHBondContact O-N 2.77Å
107A97.5Very high96.7Very high36 Ų3644 Ų4430%0.29824%0.244SC..EExtended strand (participates in β ladder)trans-125.6129.317200000110.3N74 T138 Q139N74-A107 PolarHBondContact ND2-O 2.91Å; A107-T138 HydrophobicContact CB-CG2 4.01Å; A107-Q139 WeakPolarHBondContact CA-O 3.41Å
108L97.9Very high96Very high1 Ų148.2 Ų48.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-93.4135.7170.8178.166000109.2M40 V53 T71 I77 I100 T138 Q139 I141M40-L108 HydrophobicContact CE-CD2 4.49Å; M40-L108 HydrophobicContact CE-CG 4.48Å; M40-L108 HydrophobicContact SD-CD2 4.02Å; M40-L108 HydrophobicContact SD-CG 4.18Å; V53-L108 HydrophobicContact CB-CD2 4.06Å; V53-L108 HydrophobicContact CG1-CD2 3.53Å; V53-L108 HydrophobicContact CG2-CD2 3.36Å; T71-L108 HydrophobicContact CG2-CD1 4.01Å; T71-L108 HydrophobicContact CG2-CG 4.5Å; I77-L108 HydrophobicContact CD1-CB 3.97Å; I77-L108 HydrophobicContact CD1-CD1 3.69Å; I77-L108 HydrophobicContact CD1-CG 4.39Å; I100-L108 HydrophobicContact CD1-CD2 4.23Å; L108-T138 CarbonylContact O-C 3.51Å; L108-T138 WeakPolarHBondContact O-CA 3.38Å; L108-Q139 PolarHBondContact N-O 3.36Å; L108-Q139 PolarHBondContact O-N 3.42Å; L108-I141 HydrophobicContact CB-CD1 4.06Å
109Q98.3Very high95.6Very high80 Ų8053.1 Ų53.137%0.37430%0.298SS..EExtended strand (participates in β ladder)trans-115.7126.9171.8-61.2-174.744.900110.2T71 V72 A137 T138T71-Q109 CarbonylContact C-O 3.56Å; T71-Q109 VanDerWaalsContact CA-O 3.24Å; T71-Q109 WeakPolarHBondContact CA-O 3.24Å; V72-Q109 HydrophobicContact CB-CB 4Å; V72-Q109 HydrophobicContact CG2-CB 3.75Å; V72-Q109 PolarHBondContact N-O 2.87Å; Q109-A137 CarbonylContact C-O 3.51Å; Q109-A137 WeakPolarHBondContact CA-O 3.26Å; Q109-T138 HydrophobicContact CG-CG2 4.07Å; Q109-T138 WeakPolarHBondContact CG-OG1 3.36Å
110G98.4Very high95.4Very high0 Ų053.8 Ų53.80%030%0.301CS..EExtended strand (participates in β ladder)trans-100.9139.317000000109.3S70 T136 A137S70-G110 WeakPolarHBondContact O-CA 3.5Å; G110-T136 CarbonylContact O-C 3.57Å; G110-T136 VanDerWaalsContact O-CA 3.23Å; G110-T136 WeakPolarHBondContact O-CA 3.27Å; G110-A137 PolarHBondContact N-O 3.05Å; G110-A137 PolarHBondContact O-N 3.36Å
111K98.2Very high95.2Very high59 Ų5954.5 Ų54.526%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-126.8131.7-177-179.1-175.9166.1-169.90109.3V69 S70 E113 V134 E135 T136V69-K111 WeakPolarHBondContact CA-O 2.98Å; S70-K111 PolarHBondContact N-O 2.82Å; S70-K111 PolarHBondContact O-N 2.99Å; K111-E113 VanDerWaalsContact CE-OE2 3.24Å; K111-E113 WeakPolarHBondContact CE-OE2 3.29Å; K111-E113 IonicContact NZ-OE2 2.75Å; K111-E113 PolarHBondContact NZ-OE2 3.37Å; K111-V134 HydrophobicContact CD-CG1 4.09Å; K111-V134 VanDerWaalsContact CE-CG1 3.45Å; K111-V134 HydrophobicContact CG-CG1 3.86Å; K111-E135 WeakPolarHBondContact CA-O 3.24Å; K111-T136 HydrophobicContact CB-CG2 4.3Å; K111-T136 HydrophobicContact CG-CG2 4.23Å
112A98.3Very high94.9Very high0 Ų054.8 Ų54.80%031%0.314CS..EExtended strand (participates in β ladder)trans-117131.8165.700000109.1L36 L38 V57 K68 V69 V134 E135L36-A112 HydrophobicContact CD1-CB 4.15Å; L38-A112 HydrophobicContact CD1-CB 3.91Å; L38-A112 HydrophobicContact CD2-CB 4.14Å; L38-A112 HydrophobicContact CG-CB 4.38Å; V57-A112 HydrophobicContact CG1-CB 3.94Å; V57-A112 HydrophobicContact CG2-CB 4.02Å; K68-A112 WeakPolarHBondContact O-CA 3.21Å; V69-A112 HydrophobicContact CG2-CB 4.23Å; A112-V134 WeakPolarHBondContact O-CA 3.38Å; A112-E135 PolarHBondContact N-O 2.91Å; A112-E135 PolarHBondContact O-N 2.79Å
113E97.5Very high94.4Very high53 Ų5362.4 Ų62.425%0.24835%0.354CS..EExtended strand (participates in β ladder)trans-126.5130.3-179.1-179.6172.4166.200109.8V67 K68 K111 V115 Y133 V134V67-E113 CarbonylContact C-O 3.59Å; V67-E113 VanDerWaalsContact CA-O 3.28Å; V67-E113 WeakPolarHBondContact CA-O 3.48Å; K68-E113 PolarHBondContact N-O 3.12Å; K68-E113 PolarHBondContact O-N 2.75Å; K111-E113 VanDerWaalsContact CE-OE2 3.24Å; K111-E113 WeakPolarHBondContact CE-OE2 3.29Å; K111-E113 IonicContact NZ-OE2 2.75Å; K111-E113 PolarHBondContact NZ-OE2 3.37Å; E113-V115 HydrophobicContact CB-CG1 4.36Å; E113-V115 HydrophobicContact CG-CG1 3.85Å; E113-Y133 CarbonylContact C-O 3.48Å; E113-Y133 WeakPolarHBondContact CA-O 3.09Å; E113-V134 HydrophobicContact CB-CG2 4.07Å; E113-V134 HydrophobicContact CG-CG2 3.75Å
114V96.2Very high94Very high2 Ų265.9 Ų65.91%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-79.7118.9172.9-173.10000108.7L36 M65 V66 V130 S132 Y133L36-V114 HydrophobicContact CD1-CG2 3.7Å; L36-V114 HydrophobicContact CG-CG2 4.27Å; M65-V114 HydrophobicContact CB-CG1 4.14Å; M65-V114 HydrophobicContact SD-CG1 4.38Å; M65-V114 HydrophobicContact SD-CG2 3.62Å; V66-V114 WeakPolarHBondContact O-CA 3Å; V114-V130 WeakPolarHBondContact CG1-O 3.48Å; V114-S132 PolarHBondContact O-N 2.78Å; V114-Y133 HydrophobicContact CG2-CD1 4.33Å; V114-Y133 PolarHBondContact N-O 2.8Å
115V95.1Very high93.5Very high24 Ų2465 Ų6515%0.14536%0.36CS..  trans-120.2150.4-171.2-64.60000112.2V66 K68 E113 A117V66-V115 HydrophobicContact CB-CG2 4.3Å; V66-V115 HydrophobicContact CG1-CG2 3.83Å; V66-V115 PolarHBondContact O-N 3.04Å; K68-V115 HydrophobicContact CB-CG1 3.82Å; K68-V115 HydrophobicContact CB-CG2 4.21Å; E113-V115 HydrophobicContact CB-CG1 4.36Å; E113-V115 HydrophobicContact CG-CG1 3.85Å; V115-A117 HydrophobicContact CG2-CB 4.1Å; V115-A117 PolarHBondContact O-N 3.13Å
116P91.8Very high93Very high101 Ų10167 Ų6766%0.65636%0.364SS*.  trans-78.126.6-179.332.4-36.5000114.3K118 T131P116-K118 PolarHBondContact O-N 2.79Å; P116-T131 HydrophobicContact CB-CG2 3.93Å
117A85.7Confident92.6Very high42 Ų4269.5 Ų69.535%0.34738%0.375SS..  trans-70.4130.9-172.300000112V66 V115 I120V66-A117 HydrophobicContact CG1-CB 4Å; V115-A117 HydrophobicContact CG2-CB 4.1Å; V115-A117 PolarHBondContact O-N 3.13Å; A117-I120 HydrophobicContact CB-CG1 4.02Å
118K83.1Confident92.2Very high186 Ų18668 Ų6881%0.80936%0.362SS*.THydrogen-bonded Turntrans-85.2155.6179.7-63.6-178175.9-178.80111.2P116 I120P116-K118 PolarHBondContact O-N 2.79Å; K118-I120 PolarHBondContact O-N 2.75Å; K118-I120 VanDerWaalsContact O-N 3.17Å
119S88.2Confident91.6Very high112 Ų11272 Ų7278%0.78339%0.388SS*.THydrogen-bonded Turntrans6219.4173.3-49.30000115.4
120I94.2Very high91Very high71 Ų7170.9 Ų70.936%0.36439%0.387SS..SBendtrans-94.5-39.3173-58.6-61.2000111.1V66 T87 S88 C89 A117 K118V66-I120 HydrophobicContact CG1-CB 3.83Å; V66-I120 HydrophobicContact CG1-CG1 4.03Å; V66-I120 HydrophobicContact CG1-CG2 3.73Å; V66-I120 HydrophobicContact CG2-CB 3.97Å; V66-I120 HydrophobicContact CG2-CG2 4.32Å; T87-I120 HydrophobicContact CG2-CD1 4.38Å; T87-I120 HydrophobicContact CG2-CG1 4.26Å; S88-I120 VanDerWaalsContact C-CG2 3.47Å; C89-I120 HydrophobicContact CB-CG2 4.39Å; A117-I120 HydrophobicContact CB-CG1 4.02Å; K118-I120 PolarHBondContact O-N 2.75Å; K118-I120 VanDerWaalsContact O-N 3.17Å
121C94.5Very high90.3Very high15 Ų1573.8 Ų73.810%0.10140%0.404CS..SBendtrans-89.3151.8170-69.70000110.6C89 I127C89-C121 VanDerWaalsContact CA-SG 3.59Å; C89-C121 HydrophobicContact CB-CB 3.84Å; C89-C121 WeakPolarHBondContact CB-SG 3.21Å; C89-C121 WeakPolarHBondContact SG-CA 3.45Å; C89-C121 WeakPolarHBondContact SG-CB 3.12Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.38Å; C121-I127 HydrophobicContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact SG-CD1 3.59Å
122P91.9Very high89.8Confident70 Ų7075.2 Ų75.246%0.45542%0.422SS..  trans-55.7147168.3-22.533.7000112.1D124 E125P122-D124 WeakPolarHBondContact CB-OD1 3.03Å; P122-D124 PolarHBondContact O-N 2.04Å; P122-E125 HydrophobicContact CB-CG 4.11Å; P122-E125 HydrophobicContact CG-CG 4.2Å; P122-E125 PolarHBondContact O-N 2.72Å
123D86.2Confident89.7Confident162 Ų16277.3 Ų77.387%0.86643%0.43SS*.THydrogen-bonded Turntrans-69.2-19.3-175.1-68.3-34.5000113.5
124D88.7Confident89.6Confident139 Ų13977.7 Ų77.774%0.74344%0.436SS*.THydrogen-bonded Turntrans-84.4-8.1178.559-47.1000113.8P122P122-D124 WeakPolarHBondContact CB-OD1 3.03Å; P122-D124 PolarHBondContact O-N 2.04Å
125E86.4Confident89.6Confident82 Ų8280.6 Ų80.638%0.38345%0.449SS..SBendtrans-84.6139.4-179.4-70-68.9-177.200112.8C64 P122 I127C64-E125 HydrophobicContact CB-CB 4.36Å; C64-E125 VanDerWaalsContact SG-CD 3.54Å; C64-E125 PolarHBondContact SG-OE2 3.11Å; C64-E125 VanDerWaalsContact SG-OE2 3.38Å; P122-E125 HydrophobicContact CB-CG 4.11Å; P122-E125 HydrophobicContact CG-CG 4.2Å; P122-E125 PolarHBondContact O-N 2.72Å; E125-I127 HydrophobicContact CB-CD1 4.08Å; E125-I127 PolarHBondContact O-N 3.35Å
126K86.9Confident89.7Confident147 Ų14782.7 Ų82.764%0.63946%0.462SS*.PPolyproline II helixtrans-76.6117.8168.9-70.3-175.6-177.7177.50109.2Q63 C64Q63-K126 WeakPolarHBondContact CB-O 3.39Å; Q63-K126 HydrophobicContact CG-CB 4.39Å; C64-K126 PolarHBondContact N-O 2.77Å
127I89.8Confident90Very high77 Ų7778.5 Ų78.540%0.39544%0.436SS..BIsolated β-bridgetrans-92.4131.6-178.3-50.5-53.9000111.1C64 C121 E125C64-I127 HydrophobicContact CB-CD1 4.18Å; C64-I127 CarbonylContact O-C 3.5Å; C64-I127 VanDerWaalsContact O-CA 3.28Å; C64-I127 WeakPolarHBondContact O-CA 3.28Å; C121-I127 HydrophobicContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact SG-CD1 3.59Å; E125-I127 HydrophobicContact CB-CD1 4.08Å; E125-I127 PolarHBondContact O-N 3.35Å
128F89.1Confident90.6Very high4 Ų480.3 Ų80.32%0.01844%0.443CS..PPolyproline II helixtrans-59122.9173-172.7-122.5000110W32 P35 V61 Q63 C64 M65 V130W32-F128 HydrophobicContact CD2-CE2 4.13Å; W32-F128 HydrophobicContact CG-CE2 4.14Å; W32-F128 HydrophobicContact CG-CZ 4.37Å; W32-F128 AromaticContact NE1-CE2 3.94Å; P35-F128 HydrophobicContact CB-CD1 4.4Å; P35-F128 HydrophobicContact CB-CE1 3.61Å; P35-F128 HydrophobicContact CB-CZ 3.98Å; P35-F128 HydrophobicContact CG-CE1 4.11Å; V61-F128 HydrophobicContact CB-CD2 4.42Å; V61-F128 HydrophobicContact CB-CE2 4.49Å; V61-F128 HydrophobicContact CG1-CD2 4.45Å; V61-F128 HydrophobicContact CG1-CE2 4.05Å; V61-F128 HydrophobicContact CG1-CZ 4.31Å; V61-F128 HydrophobicContact CG2-CB 4.37Å; V61-F128 HydrophobicContact CG2-CD2 3.88Å; V61-F128 HydrophobicContact CG2-CE2 4.29Å; V61-F128 HydrophobicContact CG2-CG 4.02Å; Q63-F128 HydrophobicContact CB-CB 4.16Å; C64-F128 PolarHBondContact O-N 2.85Å; M65-F128 HydrophobicContact CB-CB 3.91Å; M65-F128 HydrophobicContact CE-CB 4.18Å; M65-F128 HydrophobicContact CE-CD1 3.8Å; M65-F128 HydrophobicContact CE-CE1 4.41Å; M65-F128 HydrophobicContact CE-CG 4.1Å; F128-V130 HydrophobicContact CD1-CB 4.04Å; F128-V130 HydrophobicContact CE1-CB 3.48Å; F128-V130 VanDerWaalsContact CE1-CB 3.48Å; F128-V130 HydrophobicContact CE1-CG1 4.39Å; F128-V130 HydrophobicContact CE1-CG2 3.89Å; F128-V130 HydrophobicContact CE2-CG2 4.31Å; F128-V130 HydrophobicContact CZ-CB 3.84Å; F128-V130 HydrophobicContact CZ-CG2 3.68Å; F128-V130 PolarHBondContact O-N 3.21Å
129P86Confident91.3Very high85 Ų8575 Ų7555%0.55242%0.421SS*.  trans-77.6-20.6-16828.9-36.1000113.8T131P129-T131 PolarHBondContact O-N 3.11Å
130V84.5Confident91.8Very high58 Ų5877.5 Ų77.535%0.35242%0.418SS..  trans-74.5126.1-178.5-178.60000109.3V114 F128V114-V130 WeakPolarHBondContact CG1-O 3.48Å; F128-V130 HydrophobicContact CD1-CB 4.04Å; F128-V130 HydrophobicContact CE1-CB 3.48Å; F128-V130 VanDerWaalsContact CE1-CB 3.48Å; F128-V130 HydrophobicContact CE1-CG1 4.39Å; F128-V130 HydrophobicContact CE1-CG2 3.89Å; F128-V130 HydrophobicContact CE2-CG2 4.31Å; F128-V130 HydrophobicContact CZ-CB 3.84Å; F128-V130 HydrophobicContact CZ-CG2 3.68Å; F128-V130 PolarHBondContact O-N 3.21Å
131T84.1Confident91.9Very high60 Ų6074.3 Ų74.337%0.36840%0.402SS..  trans-120.5161.7175.759.50000108.8P116 P129 Y133P116-T131 HydrophobicContact CB-CG2 3.93Å; P129-T131 PolarHBondContact O-N 3.11Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.18Å
132S88.1Confident91.9Very high89 Ų8979.9 Ų79.962%0.62243%0.429SS*.SBendtrans73.76.3-175-370000115.6V114V114-S132 PolarHBondContact O-N 2.78Å
133Y94.6Very high91.9Very high45 Ų4577.7 Ų77.718%0.17641%0.414CS..  trans-66.9134.2167.2-177.3-87.7000109.4P35 L36 E113 V114 T131 E135P35-Y133 VanDerWaalsContact CD-CE2 3.44Å; P35-Y133 HydrophobicContact CG-CD1 3.61Å; P35-Y133 HydrophobicContact CG-CD2 3.64Å; P35-Y133 HydrophobicContact CG-CE1 3.8Å; P35-Y133 HydrophobicContact CG-CE2 3.83Å; P35-Y133 HydrophobicContact CG-CG 3.53Å; L36-Y133 HydrophobicContact CB-CE1 4.05Å; L36-Y133 HydrophobicContact CD1-CD1 4.09Å; L36-Y133 HydrophobicContact CD1-CE1 4.35Å; L36-Y133 HydrophobicContact CG-CD1 4.39Å; L36-Y133 HydrophobicContact CG-CE1 4.39Å; E113-Y133 CarbonylContact C-O 3.48Å; E113-Y133 WeakPolarHBondContact CA-O 3.09Å; V114-Y133 HydrophobicContact CG2-CD1 4.33Å; V114-Y133 PolarHBondContact N-O 2.8Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.18Å; Y133-E135 HydrophobicContact CE1-CB 3.97Å; Y133-E135 PolarHBondContact OH-OE2 3.42Å
134V96.2Very high91.6Very high61 Ų6177.6 Ų77.637%0.3743%0.426SS..EExtended strand (participates in β ladder)trans-130.4132.1-179.6173.90000109.1K111 A112 E113 T136K111-V134 HydrophobicContact CD-CG1 4.09Å; K111-V134 VanDerWaalsContact CE-CG1 3.45Å; K111-V134 HydrophobicContact CG-CG1 3.86Å; A112-V134 WeakPolarHBondContact O-CA 3.38Å; E113-V134 HydrophobicContact CB-CG2 4.07Å; E113-V134 HydrophobicContact CG-CG2 3.75Å; V134-T136 HydrophobicContact CG1-CG2 4.35Å
135E96.7Very high91.7Very high63 Ų6374.5 Ų74.529%0.29441%0.41SS..EExtended strand (participates in β ladder)trans-121.6147.1169.2-163.860.3-147.500109.9L36 L38 K111 A112 Y133L36-E135 HydrophobicContact CB-CB 4.49Å; L38-E135 HydrophobicContact CB-CG 4.5Å; L38-E135 HydrophobicContact CD1-CB 3.65Å; L38-E135 HydrophobicContact CD1-CG 3.64Å; L38-E135 HydrophobicContact CD2-CB 4.17Å; L38-E135 HydrophobicContact CD2-CG 4.22Å; L38-E135 WeakPolarHBondContact CD2-O 3.02Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; K111-E135 WeakPolarHBondContact CA-O 3.24Å; A112-E135 PolarHBondContact N-O 2.91Å; A112-E135 PolarHBondContact O-N 2.79Å; Y133-E135 HydrophobicContact CE1-CB 3.97Å; Y133-E135 PolarHBondContact OH-OE2 3.42Å
136T97.8Very high92Very high67 Ų6774.1 Ų74.141%0.41141%0.412SS..EExtended strand (participates in β ladder)trans-131.7137.8178.157.50000111.8G110 K111 V134G110-T136 CarbonylContact O-C 3.57Å; G110-T136 VanDerWaalsContact O-CA 3.23Å; G110-T136 WeakPolarHBondContact O-CA 3.27Å; K111-T136 HydrophobicContact CB-CG2 4.3Å; K111-T136 HydrophobicContact CG-CG2 4.23Å; V134-T136 HydrophobicContact CG1-CG2 4.35Å
137A98.1Very high92.3Very high14 Ų1470.1 Ų70.112%0.11640%0.399CS..EExtended strand (participates in β ladder)trans-115.5137.8168.300000109.8L38 M40 L55 Q109 G110L38-A137 HydrophobicContact CB-CB 3.78Å; L38-A137 HydrophobicContact CD2-CB 4.23Å; M40-A137 HydrophobicContact CB-CB 4.03Å; L55-A137 HydrophobicContact CD1-CB 4.2Å; Q109-A137 CarbonylContact C-O 3.51Å; Q109-A137 WeakPolarHBondContact CA-O 3.26Å; G110-A137 PolarHBondContact N-O 3.05Å; G110-A137 PolarHBondContact O-N 3.36Å
138T98Very high92.4Very high79 Ų7969.6 Ų69.649%0.48540%0.399SS..EExtended strand (participates in β ladder)trans-118.6130.5179.7-57.90000110.1A107 L108 Q109A107-T138 HydrophobicContact CB-CG2 4.01Å; L108-T138 CarbonylContact O-C 3.51Å; L108-T138 WeakPolarHBondContact O-CA 3.38Å; Q109-T138 HydrophobicContact CG-CG2 4.07Å; Q109-T138 WeakPolarHBondContact CG-OG1 3.36Å
139Q98Very high92.6Very high76 Ų7673.8 Ų73.836%0.35542%0.423SS..EExtended strand (participates in β ladder)trans-124.5127.6173.4-170.455.547.800110.5M40 V42 A107 L108M40-Q139 HydrophobicContact CG-CB 4.07Å; M40-Q139 HydrophobicContact SD-CB 3.63Å; V42-Q139 HydrophobicContact CB-CG 4.11Å; V42-Q139 HydrophobicContact CG2-CB 3.94Å; V42-Q139 HydrophobicContact CG2-CG 3.59Å; A107-Q139 WeakPolarHBondContact CA-O 3.41Å; L108-Q139 PolarHBondContact N-O 3.36Å; L108-Q139 PolarHBondContact O-N 3.42Å
140K97.5Very high93.1Very high163 Ų16373 Ų7371%0.70942%0.415SS*.EExtended strand (participates in β ladder)trans-76.4137.8171.5-69-177-179.11780109.5T106T106-K140 WeakPolarHBondContact O-CA 3.14Å
141I97.2Very high93.7Very high5 Ų574.1 Ų74.13%0.02642%0.419CS..EExtended strand (participates in β ladder)trans-120.9122.1176-49.8179.1000107.2V42 F51 I100 V102 T106 L108V42-I141 HydrophobicContact CG1-CD1 3.95Å; V42-I141 HydrophobicContact CG1-CG1 4.1Å; V42-I141 HydrophobicContact CG2-CD1 4.33Å; V42-I141 HydrophobicContact CG2-CG1 4.44Å; F51-I141 HydrophobicContact CD1-CG2 4.3Å; F51-I141 HydrophobicContact CD2-CG2 3.97Å; F51-I141 HydrophobicContact CE1-CG2 3.93Å; F51-I141 HydrophobicContact CE2-CG2 3.57Å; F51-I141 HydrophobicContact CG-CG2 4.32Å; F51-I141 HydrophobicContact CZ-CG2 3.55Å; I100-I141 HydrophobicContact CD1-CD1 3.7Å; V102-I141 HydrophobicContact CG2-CD1 4.12Å; V102-I141 HydrophobicContact CG2-CG2 4.18Å; T106-I141 PolarHBondContact N-O 3.05Å; T106-I141 PolarHBondContact O-N 2.77Å; L108-I141 HydrophobicContact CB-CD1 4.06Å
142I94.6Very high94.4Very high132 Ų13275.2 Ų75.268%0.67742%0.423SS*.  trans-108.5126.7178.2-57179.3000106.9N105N105-I142 WeakPolarHBondContact OD1-CA 3.26Å; N105-I142 WeakPolarHBondContact OD1-CG2 3.21Å
143V91.8Very high94.9Very high24 Ų2474 Ų7415%0.14541%0.406CS..  trans-106.6148.1176-66.10000109.7N49 F51 V102 N105N49-V143 HydrophobicContact CB-CB 4.49Å; N49-V143 HydrophobicContact CB-CG1 3.87Å; F51-V143 HydrophobicContact CE2-CG1 4.02Å; F51-V143 HydrophobicContact CZ-CG1 4.22Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.8Å; N105-V143 PolarHBondContact OD1-N 3.31Å; N105-V143 PolarHBondContact OD1-O 3.06Å
144S78.7Confident95Very high159 Ų15976.6 Ų76.6100%1.11243%0.427SS*.  trans-103.60-178.159.20000112.6

Retrieved 144 of 144 residues in 436.6 ms (Link to these results)