A0A087YHR2_POEFO Loading...

Endoplasmic reticulum membrane protein complex subunit 7

AlphaFold DB , UniProt , Accession A0A087YHR2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 241 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
1M40.4Very low52Low242 Ų242144.1 Ų144.1100%1.19278%0.778SS**  083.60-69.8152.910200106.7
2S36.6Very low52.6Low125 Ų125141.8 Ų141.887%0.87476%0.764SS**  70.1114.598.9-161.90000113.3
3Q45.6Very low53.1Low189 Ų189141.8 Ų141.888%0.88375%0.753SS**  trans-51.8144.9179.4-63.2178.4-17.200114
4R40Very low53.8Low247 Ų247138.9 Ų138.993%0.93274%0.736SS**  -166.8119.3124.4-120.8174179.7-172.6-1.4110.9
5G52.2Low54.1Low79 Ų79137.4 Ų137.481%0.81472%0.723SS**  trans-65139173.500000111.4
6S55.6Low54.4Low120 Ų120131.9 Ų131.984%0.83970%0.704SS**  trans-12498.5166.1-157.80000106.4
7V63.1Low54.7Low93 Ų93126.4 Ų126.456%0.56469%0.685SS**  trans-77.4127.7176.6-165.50000106.8L9 W11V7-L9 PolarHBondContact O-N 2.85Å; V7-W11 HydrophobicContact CG1-CB 4.28Å; V7-W11 HydrophobicContact CG1-CD2 4.11Å; V7-W11 HydrophobicContact CG1-CE3 3.37Å; V7-W11 HydrophobicContact CG1-CZ3 3.96Å
8P62.3Low54.7Low90 Ų90126.1 Ų126.158%0.58468%0.682SS**  trans-66.1133.7-170.525.4-33.3000110.4L10 W11P8-L10 PolarHBondContact O-N 2.82Å; P8-W11 WeakPolarHBondContact O-CB 3.41Å; P8-W11 PolarHBondContact O-N 2.62Å
9L59.1Low54.8Low122 Ų122124 Ų12464%0.63967%0.674SS**Hα-helixtrans-43.6-26.9180-15782.3000114V7 W11 L12 F13V7-L9 PolarHBondContact O-N 2.85Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 3.46Å; L9-L12 WeakPolarHBondContact O-CB 3.27Å; L9-L12 PolarHBondContact O-N 3.19Å; L9-F13 HydrophobicContact CD2-CE2 3.71Å; L9-F13 HydrophobicContact CG-CD2 4.34Å; L9-F13 HydrophobicContact CG-CE2 3.82Å; L9-F13 WeakPolarHBondContact O-CD2 3.12Å; L9-F13 PolarHBondContact O-N 3.34Å
10L59.2Low54.6Low125 Ų125124.2 Ų124.265%0.65467%0.674SS**Hα-helixtrans-63.8-30.3176.8-134.2140.9000113.3P8 F13 I14P8-L10 PolarHBondContact O-N 2.82Å; L10-F13 PolarHBondContact O-N 3.03Å; L10-I14 HydrophobicContact CD2-CD1 4.1Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.11Å; L10-I14 VanDerWaalsContact O-N 3.16Å
11W58Low54.5Low153 Ų153123.5 Ų123.558%0.5867%0.674SS**Hα-helixtrans-74.1-32.9175.5-157.150.9000112.4V7 P8 L9 I14 Q15V7-W11 HydrophobicContact CG1-CB 4.28Å; V7-W11 HydrophobicContact CG1-CD2 4.11Å; V7-W11 HydrophobicContact CG1-CE3 3.37Å; V7-W11 HydrophobicContact CG1-CZ3 3.96Å; P8-W11 WeakPolarHBondContact O-CB 3.41Å; P8-W11 PolarHBondContact O-N 2.62Å; L9-W11 VanDerWaalsContact C-N 3.3Å; L9-W11 PolarHBondContact O-N 3.46Å; W11-I14 PolarHBondContact O-N 2.75Å; W11-Q15 PolarHBondContact O-N 3.42Å
12L59.1Low55.1Low116 Ų116115.2 Ų115.261%0.60764%0.639SS**Hα-helixtrans-66.7-37.6172-78.1165.2000111.6L9 Q15 A16L9-L12 WeakPolarHBondContact O-CB 3.27Å; L9-L12 PolarHBondContact O-N 3.19Å; L12-Q15 PolarHBondContact O-N 2.89Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.27Å
13F59.4Low55.5Low142 Ų142113.8 Ų113.862%0.62363%0.628SS**Hα-helixtrans-68.9-35.8175.5-75.8-66.6000112.9L9 L10 A16 G17L9-F13 HydrophobicContact CD2-CE2 3.71Å; L9-F13 HydrophobicContact CG-CD2 4.34Å; L9-F13 HydrophobicContact CG-CE2 3.82Å; L9-F13 WeakPolarHBondContact O-CD2 3.12Å; L9-F13 PolarHBondContact O-N 3.34Å; L10-F13 PolarHBondContact O-N 3.03Å; F13-A16 PolarHBondContact O-N 2.86Å; F13-G17 PolarHBondContact O-N 2.95Å
14I63Low55.7Low101 Ų101113.9 Ų113.952%0.51863%0.626SS.*Hα-helixtrans-68.6-39.5175.2-67.2165.8000110.9L10 W11 G17 L18L10-I14 HydrophobicContact CD2-CD1 4.1Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.11Å; L10-I14 VanDerWaalsContact O-N 3.16Å; W11-I14 PolarHBondContact O-N 2.75Å; I14-G17 PolarHBondContact O-N 2.85Å; I14-L18 PolarHBondContact O-N 3.08Å
15Q58.6Low56.1Low117 Ų117107.6 Ų107.655%0.54762%0.615SS.*Hα-helixtrans-67.6-38.3172.3-74-135.9-32.800112.7W11 L12 G17 L18 V19W11-Q15 PolarHBondContact O-N 3.42Å; L12-Q15 PolarHBondContact O-N 2.89Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-G17 PolarHBondContact O-N 3.45Å; Q15-L18 PolarHBondContact O-N 2.97Å; Q15-V19 VanDerWaalsContact O-CG2 3.29Å; Q15-V19 WeakPolarHBondContact O-CG2 3.24Å; Q15-V19 PolarHBondContact O-N 2.98Å
16A58.6Low55.6Low50 Ų50110.6 Ų110.641%0.41361%0.613SS.*Hα-helixtrans-65.4-36.1175.800000112.5L12 F13 L20L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.27Å; F13-A16 PolarHBondContact O-N 2.86Å; A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 PolarHBondContact O-N 2.71Å
17G58.5Low55.1Low37 Ų37113 Ų11338%0.38161%0.612SS.*Hα-helixtrans-66.3-40172.400000112.8F13 I14 Q15 L20 V21F13-G17 PolarHBondContact O-N 2.95Å; I14-G17 PolarHBondContact O-N 2.85Å; Q15-G17 VanDerWaalsContact C-N 3.34Å; Q15-G17 PolarHBondContact O-N 3.45Å; G17-L20 PolarHBondContact O-N 3.28Å; G17-V21 WeakPolarHBondContact O-CG2 3.36Å; G17-V21 PolarHBondContact O-N 2.9Å
18L55.7Low54Low121 Ų121116.6 Ų116.663%0.63462%0.623SS**Hα-helixtrans-71-32.7177.3-153.4122.5000112.1I14 Q15 S22I14-L18 PolarHBondContact O-N 3.08Å; Q15-L18 PolarHBondContact O-N 2.97Å; L18-S22 WeakPolarHBondContact O-CB 3.41Å; L18-S22 PolarHBondContact O-N 2.91Å; L18-S22 PolarHBondContact O-OG 2.92Å
19V55.8Low53.4Low87 Ų87118.4 Ų118.453%0.52763%0.633SS.*Hα-helixtrans-70.5-39.2172.7172.20000111.4Q15 V21 S22 C23Q15-V19 VanDerWaalsContact O-CG2 3.29Å; Q15-V19 WeakPolarHBondContact O-CG2 3.24Å; Q15-V19 PolarHBondContact O-N 2.98Å; V19-V21 VanDerWaalsContact C-N 3.33Å; V19-V21 PolarHBondContact O-N 3.37Å; V19-S22 PolarHBondContact O-N 3.28Å; V19-C23 PolarHBondContact O-N 3.16Å; V19-C23 PolarHBondContact O-SG 3.08Å
20L51.9Low52.5Low127 Ų127115.1 Ų115.167%0.66563%0.629SS**Hα-helixtrans-68.7-29.3175.2-88.3163.3000113.5A16 G17A16-L20 WeakPolarHBondContact O-CB 3.39Å; A16-L20 PolarHBondContact O-N 2.71Å; G17-L20 PolarHBondContact O-N 3.28Å
21V52.4Low51.7Low111 Ų111115 Ų11567%0.67364%0.635SS**Hα-helixtrans-79.7-26.5173.1174.40000111.8G17 V19 F24G17-V21 WeakPolarHBondContact O-CG2 3.36Å; G17-V21 PolarHBondContact O-N 2.9Å; V19-V21 VanDerWaalsContact C-N 3.33Å; V19-V21 PolarHBondContact O-N 3.37Å; V21-F24 PolarHBondContact O-N 2.77Å
22S52.3Low50.8Low68 Ų68111 Ų11148%0.47664%0.642SS.*Hα-helixtrans-79.5-19.8173.5-51.70000113.2L18 V19 F24L18-S22 WeakPolarHBondContact O-CB 3.41Å; L18-S22 PolarHBondContact O-N 2.91Å; L18-S22 PolarHBondContact O-OG 2.92Å; V19-S22 PolarHBondContact O-N 3.28Å; S22-F24 PolarHBondContact O-N 3.27Å
23C46.2Very low50Low94 Ų94109.7 Ų109.764%0.63565%0.647SS**THydrogen-bonded Turntrans-76.51.6170.9-70.10000113.8V19V19-C23 PolarHBondContact O-N 3.16Å; V19-C23 PolarHBondContact O-SG 3.08Å
24F48.1Very low49Very low192 Ų192106.4 Ų106.484%0.84265%0.654SS**THydrogen-bonded Turntrans-108.97.8177.7-115.8-90.5000114.3V21 S22V21-F24 PolarHBondContact O-N 2.77Å; S22-F24 PolarHBondContact O-N 3.27Å
25T49Very low48.3Very low115 Ų115107.3 Ų107.371%0.70666%0.664SS**  trans-133.869.6172.960.40000110.9
26D42.8Very low47.6Very low142 Ų142106.2 Ų106.276%0.75967%0.669SS**  trans-137.278160.6-132.2-38.8000108.2
27M44.9Very low46.9Very low169 Ų169109.5 Ų109.583%0.83368%0.684SS**  trans-101.173.2164.4-166.994.468.800106.5T29M27-T29 PolarHBondContact O-N 3.31Å; M27-T29 PolarHBondContact O-OG1 2.91Å
28E39.1Very low46.4Very low169 Ų169114 Ų11479%0.7970%0.695SS**  trans-55.390.6163.1-172.197.7131.600107.7G30E28-G30 PolarHBondContact O-N 2.95Å
29T50.1Low45.9Very low129 Ų129114.2 Ų114.279%0.79170%0.703SS**  trans-89.590.7174.7-52.30000107M27M27-T29 PolarHBondContact O-N 3.31Å; M27-T29 PolarHBondContact O-OG1 2.91Å
30G39.8Very low45.6Very low53 Ų53115.2 Ų115.255%0.54671%0.706SS.*  trans-177.6143.4167.800000113.1E28E28-G30 PolarHBondContact O-N 2.95Å
31P42.5Very low46.1Very low123 Ų123112.4 Ų112.480%0.79971%0.708SS**  cis-88.3130.4-23.328.6-15.1000108.3A33P31-A33 PolarHBondContact O-N 2.91Å
32G38.9Very low47.3Very low69 Ų69112.3 Ų112.371%0.71170%0.704SS**  trans-48.1116.6155.400000106.1G34G32-G34 PolarHBondContact O-N 3.44Å
33A41.4Very low49.2Very low87 Ų87114.7 Ų114.772%0.71971%0.706SS**  trans-37.6120.9164.400000105.2P31 V35P31-A33 PolarHBondContact O-N 2.91Å; A33-V35 PolarHBondContact O-N 3.21Å
34G40Very low51.5Low74 Ų74112.1 Ų112.176%0.76368%0.683SS**  trans-51.397.1173.600000105.9G32 S36G32-G34 PolarHBondContact O-N 3.44Å; G34-S36 PolarHBondContact O-N 3.43Å
35V48.3Very low53.7Low120 Ų120106.7 Ų106.773%0.72766%0.66SS**  trans-61.894.4150.2178.6000099.2A33 T37A33-V35 PolarHBondContact O-N 3.21Å; V35-T37 PolarHBondContact O-N 3.37Å
36S43.6Very low55.9Low94 Ų94101.2 Ų101.266%0.65763%0.626SS**  trans-59.882.2157.555.70000103.8G34 Q38G34-S36 PolarHBondContact O-N 3.43Å; S36-Q38 PolarHBondContact O-N 3Å
37T44.1Very low58.4Low119 Ų11998.1 Ų98.173%0.7361%0.607SS**  trans-64.180.2154.4-56.40000102.9V35V35-T37 PolarHBondContact O-N 3.37Å
38Q48.3Very low60.8Low132 Ų13290.4 Ų90.462%0.61757%0.571SS**  trans-60.7125.6167.2-78.6-107.2-25.300104.9S36 N40S36-Q38 PolarHBondContact O-N 3Å; Q38-N40 PolarHBondContact O-N 3.48Å
39P44.3Very low63.5Low124 Ų12488.2 Ų88.281%0.80556%0.555SS**SBendtrans-76.226.8-179.233.6-35.1000111.9
40N50.3Low65.7Low108 Ų10882 Ų8258%0.57852%0.517SS*.SBendtrans-111.9112.8177.4-82.1-8.8000107.1Q38 D42Q38-N40 PolarHBondContact O-N 3.48Å; N40-D42 PolarHBondContact O-N 3.37Å
41G61.8Low68.3Low69 Ų6981.9 Ų81.971%0.71150%0.504SS*.THydrogen-bonded Turntrans-30.7113.8-167.600000115.1K43G41-K43 VanDerWaalsContact C-N 3.29Å; G41-K43 WeakPolarHBondContact O-CG 3.41Å; G41-K43 PolarHBondContact O-N 3.46Å
42D77.7Confident70.8Confident109 Ų10976.5 Ų76.558%0.58347%0.469SS*.THydrogen-bonded Turntrans17.558.9170.2-56.8-13.6000116.9N40 F44N40-D42 PolarHBondContact O-N 3.37Å; D42-F44 HydrophobicContact CB-CE2 4.08Å; D42-F44 HydrophobicContact CB-CZ 4.05Å; D42-F44 WeakPolarHBondContact O-CE2 3.48Å
43K91.3Very high73.3Confident118 Ų11877.4 Ų77.451%0.51346%0.462SS..  trans-95.9136.9168-68.3-173.1-178.5-157.80110.3G41 D87G41-K43 VanDerWaalsContact C-N 3.29Å; G41-K43 WeakPolarHBondContact O-CG 3.41Å; G41-K43 PolarHBondContact O-N 3.46Å; K43-D87 HydrophobicContact CD-CB 3.93Å; K43-D87 WeakPolarHBondContact CD-OD1 3.39Å; K43-D87 IonicContact NZ-OD1 3.4Å; K43-D87 PolarHBondContact NZ-OD1 3.32Å
44F94.4Very high75.7Confident39 Ų3977.7 Ų77.717%0.17147%0.473CS..EExtended strand (participates in β ladder)trans-118.6170.9-176.6-54.6-79.2000111.5D42 D87 I88 I111 S113 M117D42-F44 HydrophobicContact CB-CE2 4.08Å; D42-F44 HydrophobicContact CB-CZ 4.05Å; D42-F44 WeakPolarHBondContact O-CE2 3.48Å; F44-D87 PolarHBondContact O-N 3.16Å; F44-I88 PolarHBondContact N-O 3.33Å; F44-I88 PolarHBondContact O-N 2.89Å; F44-I111 HydrophobicContact CB-CG2 4.09Å; F44-I111 HydrophobicContact CD2-CG2 3.54Å; F44-I111 HydrophobicContact CE2-CG2 4.13Å; F44-I111 HydrophobicContact CG-CG2 3.79Å; F44-S113 WeakPolarHBondContact CZ-O 3.25Å; F44-M117 HydrophobicContact CB-CE 3.55Å; F44-M117 HydrophobicContact CG-CE 4.19Å
45K94.3Very high78.3Confident79 Ų7976.3 Ų76.334%0.34345%0.45SS..EExtended strand (participates in β ladder)trans-122.4127.6-179.5-179.6-176.8-177.4-160.30110.1E47 V85 N86K45-E47 HydrophobicContact CD-CG 4.05Å; K45-E47 WeakPolarHBondContact CD-OE1 3.4Å; K45-E47 WeakPolarHBondContact CE-OE1 2.93Å; K45-E47 HydrophobicContact CG-CG 3.99Å; K45-E47 IonicContact NZ-OE1 2.64Å; K45-E47 PolarHBondContact NZ-OE1 2.91Å; K45-V85 CarbonylContact C-O 3.56Å; K45-V85 VanDerWaalsContact CA-O 3.31Å; K45-V85 WeakPolarHBondContact CA-O 3.07Å; K45-N86 WeakPolarHBondContact CD-OD1 3.39Å; K45-N86 WeakPolarHBondContact CE-OD1 3.25Å; K45-N86 VanDerWaalsContact CG-OD1 3.31Å; K45-N86 WeakPolarHBondContact CG-OD1 3.33Å
46I95.4Very high80.4Confident0 Ų077.9 Ų77.90%045%0.447CS..EExtended strand (participates in β ladder)trans-93.2128.9171.5-59.8177.6000108.6A84 V85 I88 L95 V109 I111 L137I46-A84 WeakPolarHBondContact O-CA 3.34Å; I46-V85 PolarHBondContact N-O 3.34Å; I46-V85 PolarHBondContact O-N 3.49Å; I46-I88 HydrophobicContact CB-CD1 4.11Å; I46-I88 HydrophobicContact CD1-CD1 3.44Å; I46-I88 VanDerWaalsContact CD1-CD1 3.44Å; I46-I88 HydrophobicContact CD1-CG2 4.5Å; I46-I88 HydrophobicContact CG1-CD1 3.58Å; I46-L95 HydrophobicContact CD1-CD1 4.46Å; I46-L95 HydrophobicContact CG2-CD1 3.65Å; I46-V109 HydrophobicContact CD1-CB 4.21Å; I46-V109 HydrophobicContact CD1-CG1 4.08Å; I46-V109 HydrophobicContact CG1-CG1 4.34Å; I46-V109 HydrophobicContact CG2-CG2 4.46Å; I46-I111 HydrophobicContact CD1-CD1 4.04Å; I46-I111 HydrophobicContact CG1-CD1 3.95Å; I46-L137 HydrophobicContact CG2-CD1 3.89Å
47E95.3Very high82.8Confident77 Ų7775 Ų7536%0.3643%0.426SS..EExtended strand (participates in β ladder)trans-123.9145.8-179.9-61.4-172.4167.500111.7K45 Y135 L137K45-E47 HydrophobicContact CD-CG 4.05Å; K45-E47 WeakPolarHBondContact CD-OE1 3.4Å; K45-E47 WeakPolarHBondContact CE-OE1 2.93Å; K45-E47 HydrophobicContact CG-CG 3.99Å; K45-E47 IonicContact NZ-OE1 2.64Å; K45-E47 PolarHBondContact NZ-OE1 2.91Å; E47-Y135 PolarHBondContact N-OH 3.35Å; E47-L137 PolarHBondContact O-N 2.91Å
48G95.7Very high85.1Confident7 Ų776 Ų767%0.07242%0.422CS..EExtended strand (participates in β ladder)trans-170.5-177.2178.600000113.5S82 F83 L137G48-S82 CarbonylContact O-C 3.57Å; G48-S82 VanDerWaalsContact O-CA 3.31Å; G48-S82 WeakPolarHBondContact O-CA 3.01Å; G48-F83 VanDerWaalsContact C-CE1 3.47Å; G48-F83 PolarHBondContact N-O 3Å; G48-F83 VanDerWaalsContact N-O 3.13Å; G48-F83 PolarHBondContact O-N 3.29Å; G48-L137 CarbonylContact C-O 3.55Å; G48-L137 WeakPolarHBondContact CA-O 3.39Å
49R95.8Very high87.2Confident122 Ų12275 Ų7546%0.4642%0.421SS..EExtended strand (participates in β ladder)trans-137.5129.5175.7-166.8178.5-171.9-159.61.1109.7I51 D80 G81 L137 Q138 I139R49-I51 HydrophobicContact CG-CG1 4.16Å; R49-D80 PolarHBondContact NE-O 3.5Å; R49-D80 PolarHBondContact NH2-O 3Å; R49-G81 CarbonylContact C-O 3.54Å; R49-G81 WeakPolarHBondContact CA-O 3.08Å; R49-L137 PolarHBondContact N-O 3.3Å; R49-Q138 WeakPolarHBondContact O-CA 3.46Å; R49-I139 PolarHBondContact O-N 3.08Å
50A95.9Very high89.6Confident0 Ų069.3 Ų69.30%038%0.383CS..EExtended strand (participates in β ladder)trans-99.1132.9172.700000109.6W60 L77 G81 V97 F104 I139A50-W60 HydrophobicContact CB-CH2 3.7Å; A50-W60 HydrophobicContact CB-CZ3 4.5Å; A50-L77 HydrophobicContact CB-CD2 3.78Å; A50-G81 PolarHBondContact N-O 3.44Å; A50-V97 HydrophobicContact CB-CG1 4.25Å; A50-V97 HydrophobicContact CB-CG2 4.36Å; A50-F104 HydrophobicContact CB-CE1 4.04Å; A50-F104 HydrophobicContact CB-CZ 4.25Å; A50-I139 CarbonylContact C-O 3.6Å; A50-I139 WeakPolarHBondContact CA-O 3.44Å
51I94.6Very high91.7Very high50 Ų5064.9 Ų64.926%0.25636%0.36SS..EExtended strand (participates in β ladder)trans-130.8124.7-172.3-55.3173000108.8R49 I139 R140 A141R49-I51 HydrophobicContact CG-CG1 4.16Å; I51-I139 PolarHBondContact N-O 3.34Å; I51-R140 WeakPolarHBondContact O-CA 3.38Å; I51-A141 PolarHBondContact O-N 2.92Å
52V95.3Very high93.2Very high10 Ų1066.6 Ų66.66%0.06136%0.361CS..  trans-102.3113.5168.7-1780000107.5G54 V55 W60 Y102 F104 A141V52-G54 PolarHBondContact O-N 2.71Å; V52-V55 HydrophobicContact CB-CB 4.2Å; V52-V55 HydrophobicContact CG1-CB 3.78Å; V52-V55 HydrophobicContact CG1-CG2 3.75Å; V52-V55 PolarHBondContact O-N 3.29Å; V52-W60 HydrophobicContact CG2-CD2 3.93Å; V52-W60 VanDerWaalsContact CG2-CE2 3.49Å; V52-W60 HydrophobicContact CG2-CG 4.33Å; V52-W60 HydrophobicContact CG2-CH2 4.4Å; V52-W60 HydrophobicContact CG2-CZ2 3.79Å; V52-Y102 HydrophobicContact CG1-CD1 3.74Å; V52-Y102 HydrophobicContact CG1-CD2 4.36Å; V52-Y102 HydrophobicContact CG1-CE1 3.68Å; V52-Y102 HydrophobicContact CG1-CE2 4.31Å; V52-Y102 HydrophobicContact CG1-CG 4.1Å; V52-Y102 HydrophobicContact CG2-CD2 3.99Å; V52-Y102 HydrophobicContact CG2-CE2 4.45Å; V52-Y102 HydrophobicContact CG2-CG 4.03Å; V52-F104 HydrophobicContact CG2-CE1 4.4Å; V52-F104 HydrophobicContact CG2-CZ 3.72Å; V52-A141 HydrophobicContact CB-CB 4.43Å; V52-A141 HydrophobicContact CG1-CB 4.38Å; V52-A141 HydrophobicContact CG2-CB 3.99Å
53P92.6Very high94Very high88 Ų8864.5 Ų64.557%0.57135%0.352SS*.THydrogen-bonded Turntrans-58.9129.3179.1-23.534000111.5V55P53-V55 VanDerWaalsContact C-N 3.3Å; P53-V55 PolarHBondContact O-N 3.49Å
54G91.6Very high94.2Very high93 Ų9359.1 Ų59.196%0.95933%0.33SS*.THydrogen-bonded Turntrans79.4-0.1175.100000116.1V52V52-G54 PolarHBondContact O-N 2.71Å
55V93.4Very high94.3Very high45 Ų4563.9 Ų63.927%0.27335%0.347SS..SBendtrans-121.6138.5-179.5-174.60000109.9V52 P53 D59 Y102V52-V55 HydrophobicContact CB-CB 4.2Å; V52-V55 HydrophobicContact CG1-CB 3.78Å; V52-V55 HydrophobicContact CG1-CG2 3.75Å; V52-V55 PolarHBondContact O-N 3.29Å; P53-V55 VanDerWaalsContact C-N 3.3Å; P53-V55 PolarHBondContact O-N 3.49Å; V55-D59 HydrophobicContact CG1-CB 4.42Å; V55-Y102 HydrophobicContact CG2-CE1 4.36Å
56K93.6Very high94.4Very high153 Ų15360.1 Ų60.167%0.66533%0.33SS*.  trans-69.2142.6176.6-65.6179.3-179.9177.10109.8Q58 D59K56-Q58 VanDerWaalsContact C-N 3.3Å; K56-Q58 PolarHBondContact O-N 3.19Å; K56-D59 PolarHBondContact O-N 2.94Å
57T93.5Very high94.5Very high34 Ų3461.1 Ų61.121%0.20934%0.336CS..G310 helixtrans-61.9-37.3-177.847.50000112.9D59 W60 V61 T79T57-D59 PolarHBondContact O-N 3.09Å; T57-D59 VanDerWaalsContact O-N 3.14Å; T57-W60 HydrophobicContact CG2-CZ2 4.42Å; T57-W60 PolarHBondContact O-N 2.76Å; T57-V61 WeakPolarHBondContact O-CB 3.15Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 2.75Å; T57-V61 VanDerWaalsContact O-N 3.09Å; T57-T79 WeakPolarHBondContact CB-O 3.06Å; T57-T79 PolarHBondContact OG1-O 2.91Å
58Q92.3Very high94.5Very high140 Ų14057.5 Ų57.565%0.65432%0.319SS*.G310 helixtrans-60.2-26.3-177.7-66.3174.3-27.600113.8K56 W60K56-Q58 VanDerWaalsContact C-N 3.3Å; K56-Q58 PolarHBondContact O-N 3.19Å; Q58-W60 PolarHBondContact O-N 3.29Å
59D92.8Very high94.4Very high111 Ų11161.7 Ų61.759%0.59434%0.336SS*.G310 helixtrans-76-24.5-174-58.9-23000112.7V55 K56 T57V55-D59 HydrophobicContact CG1-CB 4.42Å; K56-D59 PolarHBondContact O-N 2.94Å; T57-D59 PolarHBondContact O-N 3.09Å; T57-D59 VanDerWaalsContact O-N 3.14Å
60W93.8Very high94Very high4 Ų459.3 Ų59.32%0.01535%0.35CS..THydrogen-bonded Turntrans-125.8-24.1-17165.7-93.6000114.6A50 V52 T57 Q58 S62 T63 A64 L77 Y102 F104A50-W60 HydrophobicContact CB-CH2 3.7Å; A50-W60 HydrophobicContact CB-CZ3 4.5Å; V52-W60 HydrophobicContact CG2-CD2 3.93Å; V52-W60 VanDerWaalsContact CG2-CE2 3.49Å; V52-W60 HydrophobicContact CG2-CG 4.33Å; V52-W60 HydrophobicContact CG2-CH2 4.4Å; V52-W60 HydrophobicContact CG2-CZ2 3.79Å; T57-W60 HydrophobicContact CG2-CZ2 4.42Å; T57-W60 PolarHBondContact O-N 2.76Å; Q58-W60 PolarHBondContact O-N 3.29Å; W60-S62 PolarHBondContact O-N 3.06Å; W60-S62 VanDerWaalsContact O-N 3.16Å; W60-T63 PolarHBondContact O-N 3.04Å; W60-T63 PolarHBondContact O-OG1 3.2Å; W60-A64 HydrophobicContact CE3-CB 3.78Å; W60-A64 HydrophobicContact CZ3-CB 3.7Å; W60-A64 PolarHBondContact O-N 3.24Å; W60-L77 HydrophobicContact CH2-CD2 3.47Å; W60-L77 VanDerWaalsContact CH2-CD2 3.47Å; W60-L77 HydrophobicContact CZ3-CD2 3.49Å; W60-L77 VanDerWaalsContact CZ3-CD2 3.49Å; W60-Y102 HydrophobicContact CB-CD2 4.08Å; W60-Y102 HydrophobicContact CB-CE2 3.76Å; W60-Y102 HydrophobicContact CG-CD2 4.26Å; W60-Y102 HydrophobicContact CG-CE2 4.08Å; W60-F104 AromaticContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CZ2-CZ 4.44Å; W60-F104 HydrophobicContact CZ3-CE2 4.09Å; W60-F104 AromaticContact CZ3-CZ 3.86Å; W60-F104 HydrophobicContact CZ3-CZ 3.86Å
61V94.9Very high93.9Very high15 Ų1565.1 Ų65.19%0.09138%0.377CS..G310 helixtrans-56.4-34.3-177.5162.60000112.1T57 T63 A64 L77 R78T57-V61 WeakPolarHBondContact O-CB 3.15Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 2.75Å; T57-V61 VanDerWaalsContact O-N 3.09Å; V61-T63 PolarHBondContact O-N 3.37Å; V61-A64 PolarHBondContact O-N 3.19Å; V61-A64 VanDerWaalsContact O-N 3.08Å; V61-L77 HydrophobicContact CB-CB 4.45Å; V61-L77 HydrophobicContact CG1-CB 3.64Å; V61-L77 WeakPolarHBondContact CG1-O 3.11Å; V61-L77 HydrophobicContact CG2-CB 4.28Å; V61-L77 HydrophobicContact CG2-CD2 4.33Å; V61-R78 VanDerWaalsContact CG1-O 3.25Å; V61-R78 WeakPolarHBondContact CG1-O 3.38Å
62S93.3Very high93.8Very high105 Ų10568.3 Ų68.373%0.73439%0.391SS*.G310 helixtrans-60.2-27.3179570000114.1W60W60-S62 PolarHBondContact O-N 3.06Å; W60-S62 VanDerWaalsContact O-N 3.16Å
63T94.1Very high93.8Very high65 Ų6569.8 Ų69.840%0.39940%0.396SS..G310 helixtrans-98.9-5.2179.666.60000113W60 V61 T99W60-T63 PolarHBondContact O-N 3.04Å; W60-T63 PolarHBondContact O-OG1 3.2Å; V61-T63 PolarHBondContact O-N 3.37Å; T63-T99 PolarHBondContact OG1-OG1 3.29Å
64A95.9Very high94Very high5 Ų568.9 Ų68.94%0.04139%0.388CS..  trans-95.1144.4-173.400000112W60 V61 L77 V98W60-A64 HydrophobicContact CE3-CB 3.78Å; W60-A64 HydrophobicContact CZ3-CB 3.7Å; W60-A64 PolarHBondContact O-N 3.24Å; V61-A64 PolarHBondContact O-N 3.19Å; V61-A64 VanDerWaalsContact O-N 3.08Å; A64-L77 HydrophobicContact CB-CD1 3.75Å; A64-L77 HydrophobicContact CB-CD2 4.23Å; A64-V98 CarbonylContact C-O 3.59Å; A64-V98 VanDerWaalsContact CA-O 3.28Å; A64-V98 WeakPolarHBondContact CA-O 3.25Å
65R95.9Very high94.2Very high139 Ų13964.6 Ų64.653%0.52534%0.344SS..EExtended strand (participates in β ladder)trans-132.8147.9173.8-63.7-176.7-178.2179.9-0.7109.6L67 F76 V97 V98R65-L67 HydrophobicContact CB-CD2 4.23Å; R65-F76 HydrophobicContact CG-CE1 4.32Å; R65-V97 CarbonylContact O-C 3.43Å; R65-V98 PolarHBondContact N-O 3.25Å; R65-V98 PolarHBondContact O-N 3.31Å
66V96.9Very high94.3Very high0 Ų068.9 Ų68.90%036%0.359CS..EExtended strand (participates in β ladder)trans-101.9120.4171-173.50000107.6V74 G75 L77 F83 V85 L95 E96 V97V66-V74 WeakPolarHBondContact O-CA 3.22Å; V66-G75 PolarHBondContact N-O 3.18Å; V66-G75 PolarHBondContact O-N 3.09Å; V66-L77 HydrophobicContact CG2-CD1 3.52Å; V66-L77 HydrophobicContact CG2-CG 4.11Å; V66-F83 HydrophobicContact CB-CD2 4.43Å; V66-F83 HydrophobicContact CG1-CD2 3.98Å; V66-F83 HydrophobicContact CG1-CE2 4.04Å; V66-F83 HydrophobicContact CG2-CB 3.75Å; V66-F83 HydrophobicContact CG2-CD1 4.14Å; V66-F83 HydrophobicContact CG2-CD2 3.92Å; V66-F83 HydrophobicContact CG2-CG 3.68Å; V66-V85 HydrophobicContact CB-CG2 4.35Å; V66-V85 HydrophobicContact CG1-CG2 3.91Å; V66-L95 HydrophobicContact CG1-CD1 3.92Å; V66-L95 HydrophobicContact CG1-CD2 3.83Å; V66-L95 HydrophobicContact CG1-CG 3.79Å; V66-E96 WeakPolarHBondContact CA-O 3.48Å; V66-V97 HydrophobicContact CG2-CG2 4.34Å
67L96.8Very high94.4Very high21 Ų2162.5 Ų62.511%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-109.7136.2178.7-51.8-177.1000108.4R65 E71 V74 L95 E96 V98R65-L67 HydrophobicContact CB-CD2 4.23Å; L67-E71 HydrophobicContact CD1-CG 3.89Å; L67-E71 HydrophobicContact CD2-CG 3.99Å; L67-E71 HydrophobicContact CG-CG 4.41Å; L67-V74 HydrophobicContact CD2-CG1 4.27Å; L67-V74 HydrophobicContact CD2-CG2 4.19Å; L67-L95 WeakPolarHBondContact O-CA 3.2Å; L67-E96 PolarHBondContact N-O 3.41Å; L67-E96 PolarHBondContact O-N 3.48Å; L67-V98 HydrophobicContact CD1-CB 4.22Å; L67-V98 HydrophobicContact CD1-CG2 3.5Å; L67-V98 HydrophobicContact CG-CG2 3.98Å
68V96.2Very high94.5Very high0 Ų068.5 Ų68.50%035%0.351CS..EExtended strand (participates in β ladder)trans-119.5127.7172.6-174.90000107.2G70 E72 Y73 V85 I88 Y93 V94 L95V68-G70 PolarHBondContact O-N 3.09Å; V68-E72 PolarHBondContact O-N 3.45Å; V68-Y73 HydrophobicContact CB-CD2 4.27Å; V68-Y73 HydrophobicContact CG1-CD2 4.2Å; V68-Y73 PolarHBondContact N-O 3.19Å; V68-Y73 PolarHBondContact O-N 3.42Å; V68-V85 HydrophobicContact CG2-CB 4.34Å; V68-V85 HydrophobicContact CG2-CG1 4.03Å; V68-V85 HydrophobicContact CG2-CG2 4.05Å; V68-I88 HydrophobicContact CG2-CD1 4.41Å; V68-Y93 HydrophobicContact CG1-CD1 4.11Å; V68-Y93 HydrophobicContact CG1-CG 3.99Å; V68-V94 WeakPolarHBondContact CA-O 3.2Å; V68-L95 HydrophobicContact CG2-CD1 4.1Å; V68-L95 HydrophobicContact CG2-CG 4.26Å
69E93.8Very high94.5Very high95 Ų9566.7 Ų66.744%0.44435%0.35SS..THydrogen-bonded Turntrans50.352.6-179.4-155.562.8-156.900113.2E71 E72 Y93 V94E69-E71 PolarHBondContact O-N 3.34Å; E69-E72 HydrophobicContact CB-CB 4.27Å; E69-E72 PolarHBondContact O-N 2.89Å; E69-Y93 HydrophobicContact CB-CD1 4.39Å; E69-V94 PolarHBondContact N-O 2.87Å; E69-V94 PolarHBondContact OE2-N 2.84Å
70G87.7Confident94.5Very high72 Ų7264.8 Ų64.874%0.74234%0.34SS*.THydrogen-bonded Turntrans64.541.7173.200000114.7V68V68-G70 PolarHBondContact O-N 3.09Å
71E92.1Very high94.5Very high123 Ų12364.6 Ų64.658%0.57534%0.339SS*.THydrogen-bonded Turntrans83.67.1179.8-47.7-168.5145.300116.3L67 E69 Y73 V74L67-E71 HydrophobicContact CD1-CG 3.89Å; L67-E71 HydrophobicContact CD2-CG 3.99Å; L67-E71 HydrophobicContact CG-CG 4.41Å; E69-E71 PolarHBondContact O-N 3.34Å; E71-Y73 VanDerWaalsContact C-N 3.28Å; E71-Y73 PolarHBondContact O-N 2.95Å; E71-V74 HydrophobicContact CB-CG2 4.35Å
72E94.1Very high94.6Very high116 Ų11665 Ų6554%0.54234%0.342SS..THydrogen-bonded Turntrans-59.6-42.1172.4-168.3-174.3158.800111.5V68 E69V68-E72 PolarHBondContact O-N 3.45Å; E69-E72 HydrophobicContact CB-CB 4.27Å; E69-E72 PolarHBondContact O-N 2.89Å
73Y95.3Very high94.7Very high42 Ų4260.2 Ų60.217%0.16531%0.308CS..EExtended strand (participates in β ladder)trans-123.6132.6169.1-44.7-97.6000109.9V68 E71 D87 I88 P89 Y93V68-Y73 HydrophobicContact CB-CD2 4.27Å; V68-Y73 HydrophobicContact CG1-CD2 4.2Å; V68-Y73 PolarHBondContact N-O 3.19Å; V68-Y73 PolarHBondContact O-N 3.42Å; E71-Y73 VanDerWaalsContact C-N 3.28Å; E71-Y73 PolarHBondContact O-N 2.95Å; Y73-D87 WeakPolarHBondContact CE1-O 3.26Å; Y73-I88 HydrophobicContact CD1-CG1 3.95Å; Y73-I88 HydrophobicContact CD2-CG1 4.38Å; Y73-I88 HydrophobicContact CE1-CG1 4.42Å; Y73-I88 HydrophobicContact CG-CG1 3.96Å; Y73-P89 WeakPolarHBondContact OH-CD 3.31Å; Y73-Y93 HydrophobicContact CE2-CE1 4.26Å
74V95.8Very high94.7Very high68 Ų6858.3 Ų58.341%0.41230%0.299SS..EExtended strand (participates in β ladder)trans-118.4130-178.5-177.40000109.2V66 L67 E71 F76V66-V74 WeakPolarHBondContact O-CA 3.22Å; L67-V74 HydrophobicContact CD2-CG1 4.27Å; L67-V74 HydrophobicContact CD2-CG2 4.19Å; E71-V74 HydrophobicContact CB-CG2 4.35Å; V74-F76 HydrophobicContact CG1-CZ 4.31Å
75G95.2Very high94.7Very high3 Ų358.1 Ų58.13%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-121.8161.5171.400000112.2V66V66-G75 PolarHBondContact N-O 3.18Å; V66-G75 PolarHBondContact O-N 3.09Å
76F95.7Very high94.7Very high135 Ų13555.7 Ų55.759%0.59230%0.295SS*.EExtended strand (participates in β ladder)trans-117.9151.6177-61.1-79.7000110.4R65 V74R65-F76 HydrophobicContact CG-CE1 4.32Å; V74-F76 HydrophobicContact CG1-CZ 4.31Å
77L95.9Very high94.5Very high19 Ų1960.1 Ų60.110%0.09932%0.319CS..EExtended strand (participates in β ladder)trans-87.5143.9175.9-66.281.5000109.6A50 W60 V61 A64 V66 S82 F83 V97A50-L77 HydrophobicContact CB-CD2 3.78Å; W60-L77 HydrophobicContact CH2-CD2 3.47Å; W60-L77 VanDerWaalsContact CH2-CD2 3.47Å; W60-L77 HydrophobicContact CZ3-CD2 3.49Å; W60-L77 VanDerWaalsContact CZ3-CD2 3.49Å; V61-L77 HydrophobicContact CB-CB 4.45Å; V61-L77 HydrophobicContact CG1-CB 3.64Å; V61-L77 WeakPolarHBondContact CG1-O 3.11Å; V61-L77 HydrophobicContact CG2-CB 4.28Å; V61-L77 HydrophobicContact CG2-CD2 4.33Å; A64-L77 HydrophobicContact CB-CD1 3.75Å; A64-L77 HydrophobicContact CB-CD2 4.23Å; V66-L77 HydrophobicContact CG2-CD1 3.52Å; V66-L77 HydrophobicContact CG2-CG 4.11Å; L77-S82 CarbonylContact C-O 3.5Å; L77-S82 WeakPolarHBondContact CA-O 3.33Å; L77-F83 HydrophobicContact CG-CB 4.22Å; L77-V97 HydrophobicContact CD1-CG1 4.42Å; L77-V97 HydrophobicContact CD2-CG1 4.38Å
78R95.4Very high94.4Very high160 Ų16059.1 Ų59.160%0.60431%0.313SS*.  trans-84.3166.1169.4-68.8178.4176.3174.6-2.2110.2V61 D80 G81 S82V61-R78 VanDerWaalsContact CG1-O 3.25Å; V61-R78 WeakPolarHBondContact CG1-O 3.38Å; R78-D80 WeakPolarHBondContact CB-OD1 3.24Å; R78-D80 PolarHBondContact O-N 2.91Å; R78-G81 WeakPolarHBondContact O-CA 3.37Å; R78-G81 PolarHBondContact O-N 2.97Å; R78-S82 WeakPolarHBondContact CD-OG 3.35Å; R78-S82 PolarHBondContact N-O 2.83Å
79T93.6Very high94.3Very high102 Ų10261.4 Ų61.463%0.62633%0.328SS*.THydrogen-bonded Turntrans-59.1-21.9-177.751.40000114.5T57 G81T57-T79 WeakPolarHBondContact CB-O 3.06Å; T57-T79 PolarHBondContact OG1-O 2.91Å; T79-G81 VanDerWaalsContact C-N 3.33Å
80D92.7Very high94.4Very high72 Ų7259.6 Ų59.639%0.38533%0.326SS..THydrogen-bonded Turntrans-87.5-0.3176.767.2-20.9000113.7R49 R78 S82R49-D80 PolarHBondContact NE-O 3.5Å; R49-D80 PolarHBondContact NH2-O 3Å; R78-D80 WeakPolarHBondContact CB-OD1 3.24Å; R78-D80 PolarHBondContact O-N 2.91Å; D80-S82 VanDerWaalsContact C-N 3.31Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 2.85Å; D80-S82 PolarHBondContact OD1-OG 3.27Å; D80-S82 WeakPolarHBondContact OD2-CB 3.09Å; D80-S82 PolarHBondContact OD2-OG 3.03Å
81G93.6Very high94.6Very high0 Ų057.3 Ų57.30%030%0.303CS..SBendtrans822.6-175.200000114R49 A50 R78 T79R49-G81 CarbonylContact C-O 3.54Å; R49-G81 WeakPolarHBondContact CA-O 3.08Å; A50-G81 PolarHBondContact N-O 3.44Å; R78-G81 WeakPolarHBondContact O-CA 3.37Å; R78-G81 PolarHBondContact O-N 2.97Å; T79-G81 VanDerWaalsContact C-N 3.33Å
82S96.3Very high94.7Very high22 Ų2254.4 Ų54.415%0.15430%0.296CS..EExtended strand (participates in β ladder)trans-76.1151.7174.568.70000110.9G48 L77 R78 D80G48-S82 CarbonylContact O-C 3.57Å; G48-S82 VanDerWaalsContact O-CA 3.31Å; G48-S82 WeakPolarHBondContact O-CA 3.01Å; L77-S82 CarbonylContact C-O 3.5Å; L77-S82 WeakPolarHBondContact CA-O 3.33Å; R78-S82 WeakPolarHBondContact CD-OG 3.35Å; R78-S82 PolarHBondContact N-O 2.83Å; D80-S82 VanDerWaalsContact C-N 3.31Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 2.85Å; D80-S82 PolarHBondContact OD1-OG 3.27Å; D80-S82 WeakPolarHBondContact OD2-CB 3.09Å; D80-S82 PolarHBondContact OD2-OG 3.03Å
83F96.1Very high94.8Very high5 Ų550 Ų502%0.02227%0.274CS..EExtended strand (participates in β ladder)trans-141.2156.1176.566.5-96.5000111G48 V66 L77 V85 L95 L137 I139G48-F83 VanDerWaalsContact C-CE1 3.47Å; G48-F83 PolarHBondContact N-O 3Å; G48-F83 VanDerWaalsContact N-O 3.13Å; G48-F83 PolarHBondContact O-N 3.29Å; V66-F83 HydrophobicContact CB-CD2 4.43Å; V66-F83 HydrophobicContact CG1-CD2 3.98Å; V66-F83 HydrophobicContact CG1-CE2 4.04Å; V66-F83 HydrophobicContact CG2-CB 3.75Å; V66-F83 HydrophobicContact CG2-CD1 4.14Å; V66-F83 HydrophobicContact CG2-CD2 3.92Å; V66-F83 HydrophobicContact CG2-CG 3.68Å; L77-F83 HydrophobicContact CG-CB 4.22Å; F83-V85 HydrophobicContact CD2-CG2 4.41Å; F83-L95 HydrophobicContact CE2-CD1 3.77Å; F83-L95 HydrophobicContact CE2-CD2 4.21Å; F83-L95 HydrophobicContact CZ-CD1 4.26Å; F83-L95 HydrophobicContact CZ-CD2 3.97Å; F83-L137 HydrophobicContact CE2-CD1 4.45Å; F83-L137 HydrophobicContact CZ-CB 4.31Å; F83-L137 HydrophobicContact CZ-CD1 4.08Å; F83-I139 HydrophobicContact CE1-CD1 4.06Å; F83-I139 HydrophobicContact CZ-CD1 3.88Å
84A95.1Very high94.8Very high25 Ų2549.1 Ų49.121%0.20727%0.273CS..EExtended strand (participates in β ladder)trans-142.5127.1177.100000109I46I46-A84 WeakPolarHBondContact O-CA 3.34Å
85V95.8Very high94.8Very high2 Ų245.9 Ų45.91%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-113.7121.4171.6-163.50000107.4K45 I46 V66 V68 F83 I88K45-V85 CarbonylContact C-O 3.56Å; K45-V85 VanDerWaalsContact CA-O 3.31Å; K45-V85 WeakPolarHBondContact CA-O 3.07Å; I46-V85 PolarHBondContact N-O 3.34Å; I46-V85 PolarHBondContact O-N 3.49Å; V66-V85 HydrophobicContact CB-CG2 4.35Å; V66-V85 HydrophobicContact CG1-CG2 3.91Å; V68-V85 HydrophobicContact CG2-CB 4.34Å; V68-V85 HydrophobicContact CG2-CG1 4.03Å; V68-V85 HydrophobicContact CG2-CG2 4.05Å; F83-V85 HydrophobicContact CD2-CG2 4.41Å; V85-I88 HydrophobicContact CB-CD1 3.73Å; V85-I88 HydrophobicContact CG1-CD1 3.68Å; V85-I88 HydrophobicContact CG1-CG1 4.3Å
86N94.3Very high94.9Very high88 Ų8849.3 Ų49.347%0.47127%0.269SS..EExtended strand (participates in β ladder)trans-100.6172.4-176.3-53.2-49.8000110.8K45 I88K45-N86 WeakPolarHBondContact CD-OD1 3.39Å; K45-N86 WeakPolarHBondContact CE-OD1 3.25Å; K45-N86 VanDerWaalsContact CG-OD1 3.31Å; K45-N86 WeakPolarHBondContact CG-OD1 3.33Å; N86-I88 VanDerWaalsContact C-N 3.35Å; N86-I88 PolarHBondContact O-N 3.14Å
87D93.2Very high94.9Very high93 Ų9343.2 Ų43.250%0.49724%0.243SC..EExtended strand (participates in β ladder)trans66.527.3171.2-68.7-69.5000115.9K43 F44 Y73K43-D87 HydrophobicContact CD-CB 3.93Å; K43-D87 WeakPolarHBondContact CD-OD1 3.39Å; K43-D87 IonicContact NZ-OD1 3.4Å; K43-D87 PolarHBondContact NZ-OD1 3.32Å; F44-D87 PolarHBondContact O-N 3.16Å; Y73-D87 WeakPolarHBondContact CE1-O 3.26Å
88I94.4Very high94.9Very high0 Ų045.5 Ų45.50%026%0.257CS..EExtended strand (participates in β ladder)trans-95122-175.9-58.2169.2000110.2F44 I46 V68 Y73 V85 N86 Y93 I111F44-I88 PolarHBondContact N-O 3.33Å; F44-I88 PolarHBondContact O-N 2.89Å; I46-I88 HydrophobicContact CB-CD1 4.11Å; I46-I88 HydrophobicContact CD1-CD1 3.44Å; I46-I88 VanDerWaalsContact CD1-CD1 3.44Å; I46-I88 HydrophobicContact CD1-CG2 4.5Å; I46-I88 HydrophobicContact CG1-CD1 3.58Å; V68-I88 HydrophobicContact CG2-CD1 4.41Å; Y73-I88 HydrophobicContact CD1-CG1 3.95Å; Y73-I88 HydrophobicContact CD2-CG1 4.38Å; Y73-I88 HydrophobicContact CE1-CG1 4.42Å; Y73-I88 HydrophobicContact CG-CG1 3.96Å; V85-I88 HydrophobicContact CB-CD1 3.73Å; V85-I88 HydrophobicContact CG1-CD1 3.68Å; V85-I88 HydrophobicContact CG1-CG1 4.3Å; N86-I88 VanDerWaalsContact C-N 3.35Å; N86-I88 PolarHBondContact O-N 3.14Å; I88-Y93 HydrophobicContact CG2-CD2 3.79Å; I88-Y93 HydrophobicContact CG2-CE1 4.3Å; I88-Y93 HydrophobicContact CG2-CE2 3.42Å; I88-Y93 VanDerWaalsContact CG2-CE2 3.42Å; I88-Y93 HydrophobicContact CG2-CG 4.38Å; I88-I111 HydrophobicContact CB-CD1 4.35Å; I88-I111 HydrophobicContact CG2-CD1 3.68Å
89P94.9Very high94.9Very high48 Ų4838.1 Ų38.131%0.31223%0.23SC..PPolyproline II helixtrans-69.2172.7177.221.1-20.9000112.4Y73 G91 Y93Y73-P89 WeakPolarHBondContact OH-CD 3.31Å; P89-G91 PolarHBondContact O-N 3.05Å; P89-Y93 WeakPolarHBondContact CG-OH 3.2Å; P89-Y93 VanDerWaalsContact O-CE2 3.29Å; P89-Y93 WeakPolarHBondContact O-CE2 3.4Å; P89-Y93 PolarHBondContact O-OH 3.41Å; P89-Y93 VanDerWaalsContact O-OH 3.12Å
90S94.6Very high94.9Very high56 Ų5636.5 Ų36.539%0.39222%0.221SC..SBendtrans-67.4130172.863.30000110.8
91G93.7Very high94.9Very high25 Ų2536.3 Ų36.326%0.25822%0.223SC..SBendtrans175.2-176.6-174.900000112.5P89 I111P89-G91 PolarHBondContact O-N 3.05Å; G91-I111 PolarHBondContact N-O 3.44Å; G91-I111 PolarHBondContact O-N 2.85Å
92S93.9Very high95Very high61 Ų6138.4 Ų38.443%0.42723%0.231SC..EExtended strand (participates in β ladder)trans-107.8125168.5-63.40000108.3R108 D110S92-R108 PolarHBondContact OG-NH2 3.36Å; S92-D110 WeakPolarHBondContact CB-OD1 3.16Å; S92-D110 PolarHBondContact OG-OD1 2.87Å
93Y95.6Very high95Very high23 Ų2344.7 Ų44.79%0.0925%0.251CS..EExtended strand (participates in β ladder)trans-127.2148.9-176.8-57.1-80.8000110.9V68 E69 Y73 I88 P89 R108 V109 I111V68-Y93 HydrophobicContact CG1-CD1 4.11Å; V68-Y93 HydrophobicContact CG1-CG 3.99Å; E69-Y93 HydrophobicContact CB-CD1 4.39Å; Y73-Y93 HydrophobicContact CE2-CE1 4.26Å; I88-Y93 HydrophobicContact CG2-CD2 3.79Å; I88-Y93 HydrophobicContact CG2-CE1 4.3Å; I88-Y93 HydrophobicContact CG2-CE2 3.42Å; I88-Y93 VanDerWaalsContact CG2-CE2 3.42Å; I88-Y93 HydrophobicContact CG2-CG 4.38Å; P89-Y93 WeakPolarHBondContact CG-OH 3.2Å; P89-Y93 VanDerWaalsContact O-CE2 3.29Å; P89-Y93 WeakPolarHBondContact O-CE2 3.4Å; P89-Y93 PolarHBondContact O-OH 3.41Å; P89-Y93 VanDerWaalsContact O-OH 3.12Å; Y93-R108 CarbonylContact O-C 3.58Å; Y93-R108 WeakPolarHBondContact O-CA 3.41Å; Y93-V109 PolarHBondContact N-O 3.44Å; Y93-V109 PolarHBondContact O-N 3.32Å; Y93-I111 HydrophobicContact CD2-CD1 4Å; Y93-I111 HydrophobicContact CD2-CG1 4.27Å; Y93-I111 HydrophobicContact CE2-CD1 3.99Å; Y93-I111 HydrophobicContact CE2-CG1 4.37Å
94V95.6Very high94.9Very high24 Ų2445.2 Ų45.215%0.14525%0.254CS..EExtended strand (participates in β ladder)trans-95.5122.6166.7-178.30000108.7V68 E69 E96 P106 V122V68-V94 WeakPolarHBondContact CA-O 3.2Å; E69-V94 PolarHBondContact N-O 2.87Å; E69-V94 PolarHBondContact OE2-N 2.84Å; V94-E96 HydrophobicContact CG1-CG 4.06Å; V94-P106 HydrophobicContact CG1-CB 4.07Å; V94-V122 HydrophobicContact CG1-CG2 3.99Å
95L96.4Very high94.9Very high0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-106.6129.5177.4-175151.1000109.8I46 V66 L67 V68 F83 V97 P106 V107 V109 L137 I139I46-L95 HydrophobicContact CD1-CD1 4.46Å; I46-L95 HydrophobicContact CG2-CD1 3.65Å; V66-L95 HydrophobicContact CG1-CD1 3.92Å; V66-L95 HydrophobicContact CG1-CD2 3.83Å; V66-L95 HydrophobicContact CG1-CG 3.79Å; L67-L95 WeakPolarHBondContact O-CA 3.2Å; V68-L95 HydrophobicContact CG2-CD1 4.1Å; V68-L95 HydrophobicContact CG2-CG 4.26Å; F83-L95 HydrophobicContact CE2-CD1 3.77Å; F83-L95 HydrophobicContact CE2-CD2 4.21Å; F83-L95 HydrophobicContact CZ-CD1 4.26Å; F83-L95 HydrophobicContact CZ-CD2 3.97Å; L95-V97 HydrophobicContact CD2-CG2 4.34Å; L95-P106 WeakPolarHBondContact O-CA 3.39Å; L95-V107 PolarHBondContact N-O 3.4Å; L95-V107 PolarHBondContact O-N 3.19Å; L95-V109 HydrophobicContact CB-CG2 4.31Å; L95-L137 HydrophobicContact CD1-CD1 4.04Å; L95-L137 HydrophobicContact CD2-CD1 4.39Å; L95-I139 HydrophobicContact CD2-CD1 3.44Å; L95-I139 VanDerWaalsContact CD2-CD1 3.44Å
96E95.4Very high94.8Very high75 Ų7550.8 Ų50.835%0.3528%0.279SS..EExtended strand (participates in β ladder)trans-129.2138.6-178.8-48.5-161.6152.400110.3V66 L67 V94 V98 P106V66-E96 WeakPolarHBondContact CA-O 3.48Å; L67-E96 PolarHBondContact N-O 3.41Å; L67-E96 PolarHBondContact O-N 3.48Å; V94-E96 HydrophobicContact CG1-CG 4.06Å; E96-V98 HydrophobicContact CB-CG2 4.48Å; E96-P106 HydrophobicContact CG-CB 3.78Å; E96-P106 WeakPolarHBondContact OE1-CB 3.29Å
97V96.3Very high94.9Very high8 Ų847.2 Ų47.25%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-103.4110.3171.9-177.70000107.5A50 R65 V66 L77 L95 F104 I139A50-V97 HydrophobicContact CB-CG1 4.25Å; A50-V97 HydrophobicContact CB-CG2 4.36Å; R65-V97 CarbonylContact O-C 3.43Å; V66-V97 HydrophobicContact CG2-CG2 4.34Å; L77-V97 HydrophobicContact CD1-CG1 4.42Å; L77-V97 HydrophobicContact CD2-CG1 4.38Å; L95-V97 HydrophobicContact CD2-CG2 4.34Å; V97-F104 HydrophobicContact CB-CB 4.07Å; V97-F104 HydrophobicContact CB-CD1 4.49Å; V97-F104 HydrophobicContact CB-CD2 3.88Å; V97-F104 HydrophobicContact CB-CE2 4.44Å; V97-F104 HydrophobicContact CB-CG 3.9Å; V97-F104 HydrophobicContact CG1-CD2 3.77Å; V97-F104 HydrophobicContact CG1-CE2 3.85Å; V97-F104 HydrophobicContact CG1-CG 4.21Å; V97-F104 HydrophobicContact CG1-CZ 4.36Å; V97-F104 WeakPolarHBondContact O-CD2 3.26Å; V97-I139 HydrophobicContact CG2-CD1 3.76Å
98V95.7Very high94.9Very high67 Ų6746 Ų4641%0.40625%0.248SC..EExtended strand (participates in β ladder)trans-100.5127.6-176.2-1790000109.5A64 R65 L67 E96A64-V98 CarbonylContact C-O 3.59Å; A64-V98 VanDerWaalsContact CA-O 3.28Å; A64-V98 WeakPolarHBondContact CA-O 3.25Å; R65-V98 PolarHBondContact N-O 3.25Å; R65-V98 PolarHBondContact O-N 3.31Å; L67-V98 HydrophobicContact CD1-CB 4.22Å; L67-V98 HydrophobicContact CD1-CG2 3.5Å; L67-V98 HydrophobicContact CG-CG2 3.98Å; E96-V98 HydrophobicContact CB-CG2 4.48Å
99T95.5Very high95Very high4 Ų446 Ų463%0.02525%0.248CC..  trans-146.8148.1171.2170.30000108.7T63 T101 Y102 F104 H145T63-T99 PolarHBondContact OG1-OG1 3.29Å; T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3.19Å; T99-T101 PolarHBondContact OG1-N 2.7Å; T99-Y102 WeakPolarHBondContact CG2-O 3.36Å; T99-F104 HydrophobicContact CG2-CD2 4.01Å; T99-F104 HydrophobicContact CG2-CE2 3.65Å; T99-H145 PolarHBondContact O-CE1 2.89Å; T99-H145 PolarHBondContact O-ND1 3.36Å
100P94.1Very high95Very high69 Ų6944.9 Ų44.945%0.44824%0.24SC..SBendtrans-66.3-26.8176.526.4-36.1000113.1H145 Y147P100-H145 PolarHBondContact O-ND1 3.34Å; P100-Y147 WeakPolarHBondContact O-CE2 3.23Å; P100-Y147 PolarHBondContact O-OH 3.08Å
101T93.5Very high95Very high68 Ų6842.7 Ų42.742%0.41722%0.224SC..SBendtrans-94.7-38.3-169.7-50.10000113T99 P144 H145T99-T101 VanDerWaalsContact C-N 3.27Å; T99-T101 PolarHBondContact O-N 3.19Å; T99-T101 PolarHBondContact OG1-N 2.7Å; T101-P144 CarbonylContact O-C 3.58Å; T101-P144 VanDerWaalsContact O-CA 3.25Å; T101-P144 WeakPolarHBondContact O-CA 3.4Å; T101-H145 PolarHBondContact O-N 2.84Å
102Y95.3Very high95Very high43 Ų4344.4 Ų44.417%0.16923%0.229CC..EExtended strand (participates in β ladder)trans-121.2143.2-171.8-56.7-75.9000113V52 V55 W60 T99 G143 H145V52-Y102 HydrophobicContact CG1-CD1 3.74Å; V52-Y102 HydrophobicContact CG1-CD2 4.36Å; V52-Y102 HydrophobicContact CG1-CE1 3.68Å; V52-Y102 HydrophobicContact CG1-CE2 4.31Å; V52-Y102 HydrophobicContact CG1-CG 4.1Å; V52-Y102 HydrophobicContact CG2-CD2 3.99Å; V52-Y102 HydrophobicContact CG2-CE2 4.45Å; V52-Y102 HydrophobicContact CG2-CG 4.03Å; V55-Y102 HydrophobicContact CG2-CE1 4.36Å; W60-Y102 HydrophobicContact CB-CD2 4.08Å; W60-Y102 HydrophobicContact CB-CE2 3.76Å; W60-Y102 HydrophobicContact CG-CD2 4.26Å; W60-Y102 HydrophobicContact CG-CE2 4.08Å; T99-Y102 WeakPolarHBondContact CG2-O 3.36Å; Y102-G143 CarbonylContact C-O 3.57Å; Y102-G143 WeakPolarHBondContact CA-O 3.36Å; Y102-H145 VanDerWaalsContact C-ND1 3.32Å; Y102-H145 PolarHBondContact O-CE1 2.92Å; Y102-H145 PolarHBondContact O-ND1 2.89Å
103R95.1Very high95Very high154 Ų15445 Ų4558%0.58123%0.233SC*.EExtended strand (participates in β ladder)trans-93.7128.9175.6-172.4178.3177.6128.5-0110A141 S142 G143R103-A141 CarbonylContact O-C 3.51Å; R103-A141 VanDerWaalsContact O-CA 3.26Å; R103-A141 WeakPolarHBondContact O-CA 3.14Å; R103-S142 PolarHBondContact O-N 3.09Å; R103-S142 PolarHBondContact O-OG 3.38Å; R103-G143 PolarHBondContact N-O 3.42Å
104F95.4Very high94.7Very high17 Ų1752.9 Ų52.98%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-110.1150.1170.4-68.3-87.3000110.1A50 V52 W60 V97 T99 I139 A141A50-F104 HydrophobicContact CB-CE1 4.04Å; A50-F104 HydrophobicContact CB-CZ 4.25Å; V52-F104 HydrophobicContact CG2-CE1 4.4Å; V52-F104 HydrophobicContact CG2-CZ 3.72Å; W60-F104 AromaticContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CH2-CZ 3.83Å; W60-F104 HydrophobicContact CZ2-CZ 4.44Å; W60-F104 HydrophobicContact CZ3-CE2 4.09Å; W60-F104 AromaticContact CZ3-CZ 3.86Å; W60-F104 HydrophobicContact CZ3-CZ 3.86Å; V97-F104 HydrophobicContact CB-CB 4.07Å; V97-F104 HydrophobicContact CB-CD1 4.49Å; V97-F104 HydrophobicContact CB-CD2 3.88Å; V97-F104 HydrophobicContact CB-CE2 4.44Å; V97-F104 HydrophobicContact CB-CG 3.9Å; V97-F104 HydrophobicContact CG1-CD2 3.77Å; V97-F104 HydrophobicContact CG1-CE2 3.85Å; V97-F104 HydrophobicContact CG1-CG 4.21Å; V97-F104 HydrophobicContact CG1-CZ 4.36Å; V97-F104 WeakPolarHBondContact O-CD2 3.26Å; T99-F104 HydrophobicContact CG2-CD2 4.01Å; T99-F104 HydrophobicContact CG2-CE2 3.65Å; F104-I139 HydrophobicContact CB-CG2 4.08Å; F104-I139 HydrophobicContact CD1-CB 4.49Å; F104-I139 HydrophobicContact CD1-CG2 3.83Å; F104-I139 HydrophobicContact CG-CG2 4.37Å; F104-A141 HydrophobicContact CD1-CB 4Å; F104-A141 HydrophobicContact CE1-CB 3.69Å; F104-A141 HydrophobicContact CE2-CB 4.5Å; F104-A141 HydrophobicContact CZ-CB 3.97Å
105E93.5Very high94.4Very high105 Ų10553 Ų5349%0.49127%0.273SS..  trans-82.9135.1172.3-68.3-174172.500110.2
106P94.9Very high94.2Very high39 Ų3959.7 Ų59.725%0.25330%0.303SS..  trans-70144.9178.332.6-37.1000110.1V94 L95 E96 V122V94-P106 HydrophobicContact CG1-CB 4.07Å; L95-P106 WeakPolarHBondContact O-CA 3.39Å; E96-P106 HydrophobicContact CG-CB 3.78Å; E96-P106 WeakPolarHBondContact OE1-CB 3.29Å; P106-V122 HydrophobicContact CB-CG2 4.02Å; P106-V122 HydrophobicContact CG-CB 4.2Å; P106-V122 HydrophobicContact CG-CG2 4.2Å; P106-V122 VanDerWaalsContact O-CG2 3.28Å; P106-V122 WeakPolarHBondContact O-CG2 3.32Å
107V95.1Very high94.1Very high13 Ų1357.7 Ų57.78%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-124131.2-177.8-176.10000109.3L95 A119 R120 L137 I139L95-V107 PolarHBondContact N-O 3.4Å; L95-V107 PolarHBondContact O-N 3.19Å; V107-A119 HydrophobicContact CG1-CB 4.22Å; V107-R120 WeakPolarHBondContact CG1-O 3.43Å; V107-L137 HydrophobicContact CG1-CD2 3.88Å; V107-I139 HydrophobicContact CG2-CD1 4.28Å; V107-I139 HydrophobicContact CG2-CG1 4.18Å
108R95.1Very high94Very high66 Ų6662.9 Ų62.925%0.24931%0.312CS..EExtended strand (participates in β ladder)trans-86.9128.6174.3-178.7172.7177.3175.67.3109.5S92 Y93 D110 A119 R120 V122S92-R108 PolarHBondContact OG-NH2 3.36Å; Y93-R108 CarbonylContact O-C 3.58Å; Y93-R108 WeakPolarHBondContact O-CA 3.41Å; R108-D110 IonicContact CZ-OD1 3.93Å; R108-D110 IonicContact NE-OD1 3.21Å; R108-D110 PolarHBondContact NE-OD1 2.81Å; R108-D110 IonicContact NH2-OD1 3.97Å; R108-A119 CarbonylContact O-C 3.57Å; R108-A119 WeakPolarHBondContact O-CA 3.03Å; R108-R120 HydrophobicContact CB-CG 3.89Å; R108-R120 HydrophobicContact CG-CG 4.23Å; R108-R120 PolarHBondContact N-O 2.82Å; R108-R120 PolarHBondContact O-N 3Å; R108-V122 HydrophobicContact CB-CG2 3.9Å; R108-V122 VanDerWaalsContact N-CG2 3.34Å
109V95.3Very high93.9Very high0 Ų060 Ų600%030%0.296CS..EExtended strand (participates in β ladder)trans-116.6120.6178.4-173.40000108.6I46 Y93 L95 I111 R118 L137I46-V109 HydrophobicContact CD1-CB 4.21Å; I46-V109 HydrophobicContact CD1-CG1 4.08Å; I46-V109 HydrophobicContact CG1-CG1 4.34Å; I46-V109 HydrophobicContact CG2-CG2 4.46Å; Y93-V109 PolarHBondContact N-O 3.44Å; Y93-V109 PolarHBondContact O-N 3.32Å; L95-V109 HydrophobicContact CB-CG2 4.31Å; V109-I111 HydrophobicContact CG1-CG1 4.3Å; V109-R118 WeakPolarHBondContact CA-O 3.35Å; V109-L137 HydrophobicContact CG2-CD1 3.8Å; V109-L137 HydrophobicContact CG2-CD2 4.32Å
110D94.7Very high93.8Very high26 Ų2661.5 Ų61.514%0.13930%0.301CS..EExtended strand (participates in β ladder)trans-103.2125.2174.3-48.9-49.3000109.5S92 R108 R118 R120S92-D110 WeakPolarHBondContact CB-OD1 3.16Å; S92-D110 PolarHBondContact OG-OD1 2.87Å; R108-D110 IonicContact CZ-OD1 3.93Å; R108-D110 IonicContact NE-OD1 3.21Å; R108-D110 PolarHBondContact NE-OD1 2.81Å; R108-D110 IonicContact NH2-OD1 3.97Å; D110-R118 PolarHBondContact N-O 2.87Å; D110-R118 PolarHBondContact O-N 2.85Å; D110-R120 IonicContact OD1-CZ 3.66Å; D110-R120 IonicContact OD1-NE 3.57Å; D110-R120 IonicContact OD1-NH2 2.87Å; D110-R120 PolarHBondContact OD1-NH2 2.93Å; D110-R120 IonicContact OD2-CZ 3.1Å; D110-R120 IonicContact OD2-NE 2.8Å; D110-R120 PolarHBondContact OD2-NE 2.8Å; D110-R120 IonicContact OD2-NH2 2.82Å; D110-R120 PolarHBondContact OD2-NH2 3.21Å
111I95.4Very high93.7Very high10 Ų1061 Ų615%0.05129%0.294CS..EExtended strand (participates in β ladder)trans-112.4117.5-178.3-45.8-172.7000108.1F44 I46 I88 G91 Y93 V109 M117F44-I111 HydrophobicContact CB-CG2 4.09Å; F44-I111 HydrophobicContact CD2-CG2 3.54Å; F44-I111 HydrophobicContact CE2-CG2 4.13Å; F44-I111 HydrophobicContact CG-CG2 3.79Å; I46-I111 HydrophobicContact CD1-CD1 4.04Å; I46-I111 HydrophobicContact CG1-CD1 3.95Å; I88-I111 HydrophobicContact CB-CD1 4.35Å; I88-I111 HydrophobicContact CG2-CD1 3.68Å; G91-I111 PolarHBondContact N-O 3.44Å; G91-I111 PolarHBondContact O-N 2.85Å; Y93-I111 HydrophobicContact CD2-CD1 4Å; Y93-I111 HydrophobicContact CD2-CG1 4.27Å; Y93-I111 HydrophobicContact CE2-CD1 3.99Å; Y93-I111 HydrophobicContact CE2-CG1 4.37Å; V109-I111 HydrophobicContact CG1-CG1 4.3Å; I111-M117 HydrophobicContact CB-CE 4.38Å; I111-M117 HydrophobicContact CB-SD 3.83Å; I111-M117 HydrophobicContact CD1-CE 3.94Å; I111-M117 HydrophobicContact CD1-SD 3.92Å; I111-M117 HydrophobicContact CG1-CE 4.09Å; I111-M117 HydrophobicContact CG1-SD 3.45Å; I111-M117 WeakPolarHBondContact CG1-SD 3.44Å; I111-M117 HydrophobicContact CG2-CE 3.63Å; I111-M117 HydrophobicContact CG2-SD 3.61Å
112T94.3Very high93.6Very high61 Ų6158.8 Ų58.837%0.37428%0.281SS..  trans-77.5154.4173.1-47.60000109.8K114 G115 K116T112-K114 HydrophobicContact CG2-CB 4.42Å; T112-K114 PolarHBondContact O-N 2.65Å; T112-G115 WeakPolarHBondContact O-CA 3.34Å; T112-G115 PolarHBondContact O-N 3.06Å; T112-K116 PolarHBondContact N-O 3.02Å; T112-K116 PolarHBondContact OG1-O 2.76Å
113S92.1Very high93.4Very high72 Ų7259.3 Ų59.350%0.50329%0.286SS..THydrogen-bonded Turntrans-55.2-21.9171.255.30000114.3F44 G115F44-S113 WeakPolarHBondContact CZ-O 3.25Å; S113-G115 VanDerWaalsContact C-N 3.28Å; S113-G115 PolarHBondContact O-N 2.9Å
114K90.5Very high93.1Very high190 Ų19059.7 Ų59.783%0.82629%0.289SS*.THydrogen-bonded Turntrans-82.82173-59.5-172.7178.3-174.80114.1T112 K116T112-K114 HydrophobicContact CG2-CB 4.42Å; T112-K114 PolarHBondContact O-N 2.65Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 2.98Å
115G88.1Confident92.8Very high25 Ų2566.2 Ų66.226%0.25832%0.323SS..  trans78.38.1-175.600000115.5T112 S113 M117T112-G115 WeakPolarHBondContact O-CA 3.34Å; T112-G115 PolarHBondContact O-N 3.06Å; S113-G115 VanDerWaalsContact C-N 3.28Å; S113-G115 PolarHBondContact O-N 2.9Å; G115-M117 PolarHBondContact O-N 3.01Å
116K92.4Very high92.6Very high141 Ų14167.3 Ų67.361%0.61333%0.326SS*.  trans-72.4118.5174.4-174.2175.5-176.61730110T112 K114T112-K116 PolarHBondContact N-O 3.02Å; T112-K116 PolarHBondContact OG1-O 2.76Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 2.98Å
117M93.4Very high92.1Very high33 Ų3369.8 Ų69.816%0.16334%0.341CS..EExtended strand (participates in β ladder)trans-93.8139.2179.8-57.9-60.4-17700111.6F44 I111 G115 Y135F44-M117 HydrophobicContact CB-CE 3.55Å; F44-M117 HydrophobicContact CG-CE 4.19Å; I111-M117 HydrophobicContact CB-CE 4.38Å; I111-M117 HydrophobicContact CB-SD 3.83Å; I111-M117 HydrophobicContact CD1-CE 3.94Å; I111-M117 HydrophobicContact CD1-SD 3.92Å; I111-M117 HydrophobicContact CG1-CE 4.09Å; I111-M117 HydrophobicContact CG1-SD 3.45Å; I111-M117 WeakPolarHBondContact CG1-SD 3.44Å; I111-M117 HydrophobicContact CG2-CE 3.63Å; I111-M117 HydrophobicContact CG2-SD 3.61Å; G115-M117 PolarHBondContact O-N 3.01Å; M117-Y135 HydrophobicContact CB-CD1 4.13Å; M117-Y135 HydrophobicContact CB-CD2 4.1Å; M117-Y135 HydrophobicContact CB-CE1 3.95Å; M117-Y135 HydrophobicContact CB-CE2 3.91Å; M117-Y135 HydrophobicContact CB-CG 4.2Å; M117-Y135 HydrophobicContact CG-CE1 4.02Å; M117-Y135 HydrophobicContact CG-CE2 4.27Å
118R93.8Very high91.6Very high117 Ų11774.2 Ų74.244%0.44237%0.372SS..EExtended strand (participates in β ladder)trans-136.8130.7171.2-62.7176.967.6173.8-2.8109.1V109 D110V109-R118 WeakPolarHBondContact CA-O 3.35Å; D110-R118 PolarHBondContact N-O 2.87Å; D110-R118 PolarHBondContact O-N 2.85Å
119A94.6Very high91.3Very high7 Ų775.1 Ų75.16%0.05838%0.379CS..EExtended strand (participates in β ladder)trans-108.7143.8177.400000111V107 R108 Q133 L137V107-A119 HydrophobicContact CG1-CB 4.22Å; R108-A119 CarbonylContact O-C 3.57Å; R108-A119 WeakPolarHBondContact O-CA 3.03Å; A119-Q133 HydrophobicContact CB-CB 3.85Å; A119-Q133 PolarHBondContact O-N 2.86Å; A119-L137 HydrophobicContact CB-CD2 3.24Å
120R93.8Very high90.9Very high36 Ų3678.6 Ų78.614%0.13640%0.401CS..EExtended strand (participates in β ladder)trans-148.9155.5175.857.9-176158.9162.3-8111.6V107 R108 D110 I131V107-R120 WeakPolarHBondContact CG1-O 3.43Å; R108-R120 HydrophobicContact CB-CG 3.89Å; R108-R120 HydrophobicContact CG-CG 4.23Å; R108-R120 PolarHBondContact N-O 2.82Å; R108-R120 PolarHBondContact O-N 3Å; D110-R120 IonicContact OD1-CZ 3.66Å; D110-R120 IonicContact OD1-NE 3.57Å; D110-R120 IonicContact OD1-NH2 2.87Å; D110-R120 PolarHBondContact OD1-NH2 2.93Å; D110-R120 IonicContact OD2-CZ 3.1Å; D110-R120 IonicContact OD2-NE 2.8Å; D110-R120 PolarHBondContact OD2-NE 2.8Å; D110-R120 IonicContact OD2-NH2 2.82Å; D110-R120 PolarHBondContact OD2-NH2 3.21Å; R120-I131 WeakPolarHBondContact CA-O 3.25Å; R120-I131 WeakPolarHBondContact CB-O 2.94Å
121L91.9Very high90.7Very high57 Ų5781.2 Ų81.230%0.29841%0.414SS..EExtended strand (participates in β ladder)trans-64.1143.6173-160.2117.4000110.2N123 I131L121-N123 PolarHBondContact O-N 2.87Å; L121-I131 HydrophobicContact CB-CB 4.15Å; L121-I131 HydrophobicContact CB-CG2 4.48Å; L121-I131 PolarHBondContact N-O 3.13Å; L121-I131 VanDerWaalsContact N-O 3.12Å
122V92.2Very high90.5Very high22 Ų2289.8 Ų89.813%0.13345%0.445CS..  trans-79.7119.9179.4-177.70000109.3V94 P106 R108 Y124V94-V122 HydrophobicContact CG1-CG2 3.99Å; P106-V122 HydrophobicContact CB-CG2 4.02Å; P106-V122 HydrophobicContact CG-CB 4.2Å; P106-V122 HydrophobicContact CG-CG2 4.2Å; P106-V122 VanDerWaalsContact O-CG2 3.28Å; P106-V122 WeakPolarHBondContact O-CG2 3.32Å; R108-V122 HydrophobicContact CB-CG2 3.9Å; R108-V122 VanDerWaalsContact N-CG2 3.34Å; V122-Y124 HydrophobicContact CG1-CD1 4.29Å; V122-Y124 HydrophobicContact CG1-CD2 3.99Å; V122-Y124 HydrophobicContact CG1-CE1 3.81Å; V122-Y124 HydrophobicContact CG1-CE2 3.48Å; V122-Y124 VanDerWaalsContact CG1-CE2 3.48Å; V122-Y124 HydrophobicContact CG1-CG 4.37Å
123N90.6Very high90.4Very high54 Ų5490.1 Ų90.129%0.28944%0.443SS..  trans-127.5113.7166.8-171.6-15.9000108.9L121 I125 K126 E129L121-N123 PolarHBondContact O-N 2.87Å; N123-I125 PolarHBondContact OD1-N 3.21Å; N123-K126 PolarHBondContact OD1-N 3.45Å; N123-E129 PolarHBondContact ND2-OE2 2.82Å
124Y87.9Confident90.4Very high162 Ų16290.3 Ų90.364%0.63544%0.442SS*.SBendtrans-78.9-23.5-178.7-64.3-73.7000113.2V122V122-Y124 HydrophobicContact CG1-CD1 4.29Å; V122-Y124 HydrophobicContact CG1-CD2 3.99Å; V122-Y124 HydrophobicContact CG1-CE1 3.81Å; V122-Y124 HydrophobicContact CG1-CE2 3.48Å; V122-Y124 VanDerWaalsContact CG1-CE2 3.48Å; V122-Y124 HydrophobicContact CG1-CG 4.37Å
125I90.1Very high90.4Very high154 Ų15485 Ų8579%0.7942%0.418SS*.SBendtrans-84.9-49.9-177.4-57.7175.9000110N123N123-I125 PolarHBondContact OD1-N 3.21Å
126K89.7Confident90.4Very high128 Ų12887.5 Ų87.556%0.55743%0.429SS*.  trans-110.782.7-178.9-62.7-178.6-177.5176.10110.2N123 S128 E129N123-K126 PolarHBondContact OD1-N 3.45Å; K126-S128 PolarHBondContact O-N 3.41Å; K126-E129 HydrophobicContact CB-CB 4.08Å; K126-E129 WeakPolarHBondContact O-CB 3.28Å; K126-E129 PolarHBondContact O-N 3.43Å; K126-E129 VanDerWaalsContact O-N 3.1Å
127T84.4Confident90.5Very high91 Ų9180.9 Ų80.956%0.55840%0.4SS*.THydrogen-bonded Turntrans-66.2-18.9-178.456.60000114.2
128S83.5Confident90.5Very high107 Ų10784.1 Ų84.175%0.74842%0.415SS*.THydrogen-bonded Turntrans-82.5-14.1175.458.20000113.7K126 V130K126-S128 PolarHBondContact O-N 3.41Å; S128-V130 PolarHBondContact O-N 3.01Å
129E88.1Confident90.5Very high84 Ų8478.9 Ų78.939%0.39340%0.396SS..  trans-72125.5176.1-170.9175.8179.900109.5N123 K126 I131N123-E129 PolarHBondContact ND2-OE2 2.82Å; K126-E129 HydrophobicContact CB-CB 4.08Å; K126-E129 WeakPolarHBondContact O-CB 3.28Å; K126-E129 PolarHBondContact O-N 3.43Å; K126-E129 VanDerWaalsContact O-N 3.1Å; E129-I131 HydrophobicContact CG-CG1 4.38Å
130V86.9Confident90.5Very high74 Ų7486.4 Ų86.445%0.44842%0.423SS..  trans-121.389.9-176.2-173.70000109.7S128 R132S128-V130 PolarHBondContact O-N 3.01Å; V130-R132 HydrophobicContact CG1-CG 4Å; V130-R132 PolarHBondContact O-N 2.82Å
131I91.1Very high90.5Very high80 Ų8085.3 Ų85.341%0.4142%0.421SS..  trans-88.2101.2166.7-56.3175.8000107.2R120 L121 E129 Q133R120-I131 WeakPolarHBondContact CA-O 3.25Å; R120-I131 WeakPolarHBondContact CB-O 2.94Å; L121-I131 HydrophobicContact CB-CB 4.15Å; L121-I131 HydrophobicContact CB-CG2 4.48Å; L121-I131 PolarHBondContact N-O 3.13Å; L121-I131 VanDerWaalsContact N-O 3.12Å; E129-I131 HydrophobicContact CG-CG1 4.38Å; I131-Q133 PolarHBondContact O-N 2.73Å
132R91.3Very high90.6Very high190 Ų19086 Ų8672%0.71743%0.431SS*.EExtended strand (participates in β ladder)trans-68.9131.3-176.8-63.2-175.8-179.7-171.41.6110.5V130V130-R132 HydrophobicContact CG1-CG 4Å; V130-R132 PolarHBondContact O-N 2.82Å
133Q92Very high90.6Very high69 Ų6986 Ų8632%0.32244%0.436SS..EExtended strand (participates in β ladder)trans-103.7145.8169-73.9-69.6-31.400109.3A119 I131A119-Q133 HydrophobicContact CB-CB 3.85Å; A119-Q133 PolarHBondContact O-N 2.86Å; I131-Q133 PolarHBondContact O-N 2.73Å
134P92.2Very high90.8Very high75 Ų7588.3 Ų88.349%0.48745%0.453SS..PPolyproline II helixtrans-64.5151.8174.628.9-33.8000110.6
135Y90.3Very high91Very high80 Ų8083.5 Ų83.531%0.31444%0.436SS..SBendtrans-123.3134.4173.3-164.5-90.5000108.7E47 M117 L137E47-Y135 PolarHBondContact N-OH 3.35Å; M117-Y135 HydrophobicContact CB-CD1 4.13Å; M117-Y135 HydrophobicContact CB-CD2 4.1Å; M117-Y135 HydrophobicContact CB-CE1 3.95Å; M117-Y135 HydrophobicContact CB-CE2 3.91Å; M117-Y135 HydrophobicContact CB-CG 4.2Å; M117-Y135 HydrophobicContact CG-CE1 4.02Å; M117-Y135 HydrophobicContact CG-CE2 4.27Å; Y135-L137 HydrophobicContact CD2-CD2 4.2Å; Y135-L137 HydrophobicContact CD2-CG 4.12Å; Y135-L137 HydrophobicContact CE2-CG 4.14Å
136P89.3Confident91Very high77 Ų7781.4 Ų81.450%0.544%0.436SS..SBendcis-60.7151.72.4-22.634.1000114.1Q138P136-Q138 PolarHBondContact O-N 2.92Å
137L93.4Very high91.2Very high2 Ų282.2 Ų82.21%0.0144%0.436CS..EExtended strand (participates in β ladder)trans-61.8135-171.7-63172.1000111.3I46 E47 G48 R49 F83 L95 V107 V109 A119 Y135 I139I46-L137 HydrophobicContact CG2-CD1 3.89Å; E47-L137 PolarHBondContact O-N 2.91Å; G48-L137 CarbonylContact C-O 3.55Å; G48-L137 WeakPolarHBondContact CA-O 3.39Å; R49-L137 PolarHBondContact N-O 3.3Å; F83-L137 HydrophobicContact CE2-CD1 4.45Å; F83-L137 HydrophobicContact CZ-CB 4.31Å; F83-L137 HydrophobicContact CZ-CD1 4.08Å; L95-L137 HydrophobicContact CD1-CD1 4.04Å; L95-L137 HydrophobicContact CD2-CD1 4.39Å; V107-L137 HydrophobicContact CG1-CD2 3.88Å; V109-L137 HydrophobicContact CG2-CD1 3.8Å; V109-L137 HydrophobicContact CG2-CD2 4.32Å; A119-L137 HydrophobicContact CB-CD2 3.24Å; Y135-L137 HydrophobicContact CD2-CD2 4.2Å; Y135-L137 HydrophobicContact CD2-CG 4.12Å; Y135-L137 HydrophobicContact CE2-CG 4.14Å; L137-I139 HydrophobicContact CB-CG1 4.22Å
138Q93.6Very high91.6Very high101 Ų10186.3 Ų86.347%0.47245%0.447SS..EExtended strand (participates in β ladder)trans-119.492.8169.9-66.8-1721100109.2R49 P136R49-Q138 WeakPolarHBondContact O-CA 3.46Å; P136-Q138 PolarHBondContact O-N 2.92Å
139I93.9Very high91.9Very high7 Ų789.9 Ų89.94%0.03645%0.454CS..EExtended strand (participates in β ladder)trans-93.4114.9-174.9-47.7179.1000107.7R49 A50 I51 F83 L95 V97 F104 V107 L137R49-I139 PolarHBondContact O-N 3.08Å; A50-I139 CarbonylContact C-O 3.6Å; A50-I139 WeakPolarHBondContact CA-O 3.44Å; I51-I139 PolarHBondContact N-O 3.34Å; F83-I139 HydrophobicContact CE1-CD1 4.06Å; F83-I139 HydrophobicContact CZ-CD1 3.88Å; L95-I139 HydrophobicContact CD2-CD1 3.44Å; L95-I139 VanDerWaalsContact CD2-CD1 3.44Å; V97-I139 HydrophobicContact CG2-CD1 3.76Å; F104-I139 HydrophobicContact CB-CG2 4.08Å; F104-I139 HydrophobicContact CD1-CB 4.49Å; F104-I139 HydrophobicContact CD1-CG2 3.83Å; F104-I139 HydrophobicContact CG-CG2 4.37Å; V107-I139 HydrophobicContact CG2-CD1 4.28Å; V107-I139 HydrophobicContact CG2-CG1 4.18Å; L137-I139 HydrophobicContact CB-CG1 4.22Å
140R93.9Very high92Very high165 Ų16595.5 Ų95.562%0.62348%0.477SS*.EExtended strand (participates in β ladder)trans-96.3138.5178.2-63-172.6-177.9-169.81.2109.7I51I51-R140 WeakPolarHBondContact O-CA 3.38Å
141A95.1Very high92.2Very high13 Ų13102.9 Ų102.911%0.10750%0.497CS..EExtended strand (participates in β ladder)trans-67.4137.4171.300000110I51 V52 R103 F104I51-A141 PolarHBondContact O-N 2.92Å; V52-A141 HydrophobicContact CB-CB 4.43Å; V52-A141 HydrophobicContact CG1-CB 4.38Å; V52-A141 HydrophobicContact CG2-CB 3.99Å; R103-A141 CarbonylContact O-C 3.51Å; R103-A141 VanDerWaalsContact O-CA 3.26Å; R103-A141 WeakPolarHBondContact O-CA 3.14Å; F104-A141 HydrophobicContact CD1-CB 4Å; F104-A141 HydrophobicContact CE1-CB 3.69Å; F104-A141 HydrophobicContact CE2-CB 4.5Å; F104-A141 HydrophobicContact CZ-CB 3.97Å
142S92.9Very high92Very high71 Ų71108.4 Ų108.450%0.49752%0.521SS..EExtended strand (participates in β ladder)trans-79.7-23.3173.954.20000112.3R103R103-S142 PolarHBondContact O-N 3.09Å; R103-S142 PolarHBondContact O-OG 3.38Å
143G92.9Very high91.8Very high23 Ų23104.7 Ų104.724%0.23752%0.519CS..EExtended strand (participates in β ladder)trans158.9-174.8176.300000112.6Y102 R103Y102-G143 CarbonylContact C-O 3.57Å; Y102-G143 WeakPolarHBondContact CA-O 3.36Å; R103-G143 PolarHBondContact N-O 3.42Å
144P93.1Very high91.2Very high101 Ų101109.3 Ų109.366%0.65653%0.534SS*.EExtended strand (participates in β ladder)trans-71.8152.9171.830.7-34000111.8T101T101-P144 CarbonylContact O-C 3.58Å; T101-P144 VanDerWaalsContact O-CA 3.25Å; T101-P144 WeakPolarHBondContact O-CA 3.4Å
145H92.3Very high90.8Very high61 Ų61106.5 Ų106.528%0.28252%0.519SS..  trans-69.8130173.5-77.6106.1000111.7T99 P100 T101 Y102 Y147T99-H145 PolarHBondContact O-CE1 2.89Å; T99-H145 PolarHBondContact O-ND1 3.36Å; P100-H145 PolarHBondContact O-ND1 3.34Å; T101-H145 PolarHBondContact O-N 2.84Å; Y102-H145 VanDerWaalsContact C-ND1 3.32Å; Y102-H145 PolarHBondContact O-CE1 2.92Å; Y102-H145 PolarHBondContact O-ND1 2.89Å; H145-Y147 HydrophobicContact CB-CD1 4.46Å; H145-Y147 HydrophobicContact CB-CD2 3.9Å; H145-Y147 HydrophobicContact CB-CE1 3.96Å; H145-Y147 HydrophobicContact CB-CE2 3.35Å; H145-Y147 HydrophobicContact CB-CG 4.43Å; H145-Y147 AromaticContact CG-CZ 3.59Å; H145-Y147 PolarHBondContact ND1-OH 3.25Å
146S91.6Very high90.5Very high111 Ų111111.9 Ų111.978%0.77654%0.539SS*.  trans-98.180.5170.9-175.30000110.2F148S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact OG-O 3.41Å
147Y92.8Very high90.4Very high145 Ų145112.6 Ų112.657%0.56954%0.541SS*.  trans-73.6-28177.4-62.2-64000113.4P100 H145P100-Y147 WeakPolarHBondContact O-CE2 3.23Å; P100-Y147 PolarHBondContact O-OH 3.08Å; H145-Y147 HydrophobicContact CB-CD1 4.46Å; H145-Y147 HydrophobicContact CB-CD2 3.9Å; H145-Y147 HydrophobicContact CB-CE1 3.96Å; H145-Y147 HydrophobicContact CB-CE2 3.35Å; H145-Y147 HydrophobicContact CB-CG 4.43Å; H145-Y147 AromaticContact CG-CZ 3.59Å; H145-Y147 PolarHBondContact ND1-OH 3.25Å
148F92.9Very high90Very high176 Ų176117.5 Ų117.577%0.77257%0.568SS**SBendtrans-103.2134.6-175.5-56.9-74000110.5S146S146-F148 VanDerWaalsContact C-N 3.34Å; S146-F148 PolarHBondContact OG-O 3.41Å
149M90.9Very high89.7Confident183 Ų183117 Ų11790%0.90156%0.564SS**PPolyproline II helixtrans-79.6133165.2-64.2-177.869.400108.8
150K89.9Confident89.3Confident201 Ų201121.2 Ų121.287%0.87459%0.586SS**PPolyproline II helixtrans-67.4136.6171.1-65.9-177.1-179.4178.60108.3
151R90.7Very high89Confident230 Ų230120.6 Ų120.687%0.86859%0.592SS**PPolyproline II helixtrans-66.9139.4172.8-66-175.8-179.2-173.7-0.1108.8T153R151-T153 PolarHBondContact O-N 2.81Å; R151-T153 VanDerWaalsContact O-N 3.09Å
152E86.8Confident88.8Confident195 Ų195122.5 Ų122.591%0.91160%0.601SS**  trans-59.7114.7168.1-66.9176.7-176.600107.8
153T86.6Confident88.6Confident113 Ų113123.5 Ų123.569%0.69361%0.606SS**  trans-87.8139.6174.553.50000108R151 G155R151-T153 PolarHBondContact O-N 2.81Å; R151-T153 VanDerWaalsContact O-N 3.09Å; T153-G155 VanDerWaalsContact C-N 3.34Å; T153-G155 PolarHBondContact O-N 2.64Å
154W80.4Confident88.5Confident165 Ų165128.9 Ų128.963%0.62563%0.626SS**  trans-64.298.5169.7-172.273.1000108.9W156 F159W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 HydrophobicContact CH2-CE3 4.23Å; W154-W156 HydrophobicContact CH2-CH2 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.32Å; W154-W156 HydrophobicContact CZ3-CD2 4.07Å; W154-W156 AromaticContact CZ3-CE2 3.89Å; W154-W156 HydrophobicContact CZ3-CE3 4.41Å; W154-W156 HydrophobicContact CZ3-CH2 4.45Å; W154-W156 HydrophobicContact CZ3-CZ2 4.11Å; W154-F159 HydrophobicContact CZ2-CB 3.83Å; W154-F159 AromaticContact CZ2-CD2 3.95Å; W154-F159 HydrophobicContact CZ2-CD2 3.95Å; W154-F159 AromaticContact CZ2-CG 3.93Å; W154-F159 HydrophobicContact CZ2-CG 3.93Å
155G84.2Confident88.4Confident16 Ų16125.2 Ų125.217%0.16560%0.602CS.*  trans-80.5134.6173.700000109.6T153 T157 D158 F159T153-G155 VanDerWaalsContact C-N 3.34Å; T153-G155 PolarHBondContact O-N 2.64Å; G155-T157 PolarHBondContact O-N 3.06Å; G155-D158 WeakPolarHBondContact O-CB 3.36Å; G155-D158 PolarHBondContact O-N 3.45Å; G155-F159 PolarHBondContact O-N 3.03Å; G155-F159 VanDerWaalsContact O-N 3.08Å
156W83.2Confident88.3Confident194 Ų194126.3 Ų126.374%0.73561%0.608SS**Hα-helixtrans-56.4-30.2167-68.787000111.5W154 F159 L160W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 HydrophobicContact CH2-CE3 4.23Å; W154-W156 HydrophobicContact CH2-CH2 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.32Å; W154-W156 HydrophobicContact CZ3-CD2 4.07Å; W154-W156 AromaticContact CZ3-CE2 3.89Å; W154-W156 HydrophobicContact CZ3-CE3 4.41Å; W154-W156 HydrophobicContact CZ3-CH2 4.45Å; W154-W156 HydrophobicContact CZ3-CZ2 4.11Å; W156-F159 PolarHBondContact O-N 3.36Å; W156-L160 PolarHBondContact O-N 2.9Å
157T86.4Confident88.1Confident91 Ų91127.8 Ų127.856%0.55860%0.604SS**Hα-helixtrans-67.3-38.3172.552.20000112.8G155 F159 L160 M161G155-T157 PolarHBondContact O-N 3.06Å; T157-F159 VanDerWaalsContact C-N 3.31Å; T157-L160 PolarHBondContact O-N 2.83Å; T157-M161 VanDerWaalsContact O-CB 3.24Å; T157-M161 WeakPolarHBondContact O-CB 3.4Å; T157-M161 WeakPolarHBondContact O-CG 3.5Å; T157-M161 PolarHBondContact O-N 3.21Å
158D85.8Confident88Confident105 Ų105127.5 Ų127.556%0.56161%0.61SS**Hα-helixtrans-68.7-33.3175.5-79.1-10.7000111.5G155 N162G155-D158 WeakPolarHBondContact O-CB 3.36Å; G155-D158 PolarHBondContact O-N 3.45Å; D158-N162 PolarHBondContact O-N 3.4Å
159F86.4Confident87.8Confident90 Ų90122.7 Ų122.740%0.39560%0.595SS.*Hα-helixtrans-67.5-45.9171.9177.2-99.4000111.9W154 G155 W156 T157 N162 V165W154-F159 HydrophobicContact CZ2-CB 3.83Å; W154-F159 AromaticContact CZ2-CD2 3.95Å; W154-F159 HydrophobicContact CZ2-CD2 3.95Å; W154-F159 AromaticContact CZ2-CG 3.93Å; W154-F159 HydrophobicContact CZ2-CG 3.93Å; G155-F159 PolarHBondContact O-N 3.03Å; G155-F159 VanDerWaalsContact O-N 3.08Å; W156-F159 PolarHBondContact O-N 3.36Å; T157-F159 VanDerWaalsContact C-N 3.31Å; F159-N162 WeakPolarHBondContact O-CB 3.34Å; F159-N162 PolarHBondContact O-N 3.12Å; F159-V165 HydrophobicContact CD1-CG1 4.36Å; F159-V165 HydrophobicContact CD2-CG2 4.2Å; F159-V165 HydrophobicContact CE1-CG1 3.83Å; F159-V165 HydrophobicContact CE1-CG2 4.26Å; F159-V165 HydrophobicContact CE2-CG2 3.74Å; F159-V165 HydrophobicContact CZ-CG1 4.05Å; F159-V165 HydrophobicContact CZ-CG2 3.77Å; F159-V165 WeakPolarHBondContact O-CB 3.4Å
160L86.4Confident87.6Confident96 Ų96118.3 Ų118.350%0.50357%0.574SS.*Hα-helixtrans-68.5-40.1176.9-83.2169.5000112.5W156 T157 N162 M166W156-L160 PolarHBondContact O-N 2.9Å; T157-L160 PolarHBondContact O-N 2.83Å; L160-N162 PolarHBondContact O-N 3.31Å; L160-M166 WeakPolarHBondContact O-CG 3.26Å; L160-M166 VanDerWaalsContact O-SD 3.38Å
161M87.8Confident87.5Confident152 Ų152111.5 Ų111.575%0.74955%0.551SS**THydrogen-bonded Turntrans-75.10.4176.4-71.9-174.3170.700113T157T157-M161 VanDerWaalsContact O-CB 3.24Å; T157-M161 WeakPolarHBondContact O-CB 3.4Å; T157-M161 WeakPolarHBondContact O-CG 3.5Å; T157-M161 PolarHBondContact O-N 3.21Å
162N90.3Very high87.4Confident54 Ų54106 Ų10629%0.28954%0.538SS..  trans-66.3122.5172.2-170.6-36.9000109.4D158 F159 L160 M164 V165 M166D158-N162 PolarHBondContact O-N 3.4Å; F159-N162 WeakPolarHBondContact O-CB 3.34Å; F159-N162 PolarHBondContact O-N 3.12Å; L160-N162 PolarHBondContact O-N 3.31Å; N162-M164 PolarHBondContact O-N 2.87Å; N162-M164 PolarHBondContact OD1-N 3.46Å; N162-M164 VanDerWaalsContact OD1-N 3.09Å; N162-V165 HydrophobicContact CB-CB 4.31Å; N162-V165 HydrophobicContact CB-CG2 4.06Å; N162-V165 PolarHBondContact O-N 3.21Å; N162-M166 PolarHBondContact O-N 2.83Å
163P89.4Confident87.6Confident92 Ų92101 Ų10160%0.59752%0.517SS*.Hα-helixtrans-57.5-28.7-176.322.2-33.9000112.8M167P163-M167 WeakPolarHBondContact O-CB 3.46Å; P163-M167 WeakPolarHBondContact O-CG 3.46Å; P163-M167 PolarHBondContact O-N 3.2Å
164M90.2Very high87.6Confident135 Ų13599.2 Ų99.267%0.66550%0.503SS*.Hα-helixtrans-70.8-40.3176-66.8-175.1-77.200112.3N162 M168N162-M164 PolarHBondContact O-N 2.87Å; N162-M164 PolarHBondContact OD1-N 3.46Å; N162-M164 VanDerWaalsContact OD1-N 3.09Å; M164-M168 WeakPolarHBondContact O-CG 3.31Å; M164-M168 PolarHBondContact O-N 2.87Å
165V90.4Very high87.9Confident24 Ų2496.7 Ų96.715%0.14550%0.5CS..Hα-helixtrans-72.6-43.4-179.3178.80000110.6F159 N162 M167 M168 V169F159-V165 HydrophobicContact CD1-CG1 4.36Å; F159-V165 HydrophobicContact CD2-CG2 4.2Å; F159-V165 HydrophobicContact CE1-CG1 3.83Å; F159-V165 HydrophobicContact CE1-CG2 4.26Å; F159-V165 HydrophobicContact CE2-CG2 3.74Å; F159-V165 HydrophobicContact CZ-CG1 4.05Å; F159-V165 HydrophobicContact CZ-CG2 3.77Å; F159-V165 WeakPolarHBondContact O-CB 3.4Å; N162-V165 HydrophobicContact CB-CB 4.31Å; N162-V165 HydrophobicContact CB-CG2 4.06Å; N162-V165 PolarHBondContact O-N 3.21Å; V165-M167 VanDerWaalsContact C-N 3.35Å; V165-M167 PolarHBondContact O-N 3.02Å; V165-M168 PolarHBondContact O-N 2.9Å; V165-V169 HydrophobicContact CG1-CG2 4.03Å; V165-V169 WeakPolarHBondContact O-CB 3.2Å; V165-V169 WeakPolarHBondContact O-CG2 3.41Å; V165-V169 PolarHBondContact O-N 2.75Å
166M91.3Very high88.1Confident84 Ų84100.4 Ų100.441%0.41452%0.52SS..Hα-helixtrans-57.9-46.7175.5-75.8-64-78.200112.1L160 N162 M168 V169 L170L160-M166 WeakPolarHBondContact O-CG 3.26Å; L160-M166 VanDerWaalsContact O-SD 3.38Å; N162-M166 PolarHBondContact O-N 2.83Å; M166-M168 PolarHBondContact O-N 2.91Å; M166-V169 PolarHBondContact O-N 2.8Å; M166-L170 WeakPolarHBondContact O-CB 3.48Å; M166-L170 PolarHBondContact O-N 2.9Å
167M87.7Confident88.2Confident142 Ų14295.3 Ų95.370%0.751%0.506SS*.Hα-helixtrans-68.4-20.9-178-68.2-67.6167.700113P163 V165 P171P163-M167 WeakPolarHBondContact O-CB 3.46Å; P163-M167 WeakPolarHBondContact O-CG 3.46Å; P163-M167 PolarHBondContact O-N 3.2Å; V165-M167 VanDerWaalsContact C-N 3.35Å; V165-M167 PolarHBondContact O-N 3.02Å; M167-P171 WeakPolarHBondContact O-CD 3.42Å; M167-P171 WeakPolarHBondContact O-CG 3.47Å
168M89.3Confident87.9Confident139 Ų13994.8 Ų94.869%0.68550%0.499SS*.Hα-helixtrans-88.3-44.9173.5-67.1-173.5100.600112.3M164 V165 M166 L172M164-M168 WeakPolarHBondContact O-CG 3.31Å; M164-M168 PolarHBondContact O-N 2.87Å; V165-M168 PolarHBondContact O-N 2.9Å; M166-M168 PolarHBondContact O-N 2.91Å; M168-L172 WeakPolarHBondContact O-CD1 3.28Å; M168-L172 VanDerWaalsContact O-CG 3.24Å; M168-L172 WeakPolarHBondContact O-CG 3.46Å
169V90.3Very high87.4Confident75 Ų7593.3 Ų93.346%0.45550%0.496SS..Hα-helixtrans-77.5-39.7-173.4177.10000111.8V165 M166 L172 L173V165-V169 HydrophobicContact CG1-CG2 4.03Å; V165-V169 WeakPolarHBondContact O-CB 3.2Å; V165-V169 WeakPolarHBondContact O-CG2 3.41Å; V165-V169 PolarHBondContact O-N 2.75Å; M166-V169 PolarHBondContact O-N 2.8Å; V169-L172 PolarHBondContact O-N 2.85Å; V169-L173 WeakPolarHBondContact O-CB 3.4Å; V169-L173 PolarHBondContact O-N 3.5Å
170L87.1Confident86.9Confident91 Ų9197 Ų9748%0.47651%0.511SS..Hα-helixtrans-63.1-47.9-176.5-176.770.3000112.4M166 L172 L173 I174M166-L170 WeakPolarHBondContact O-CB 3.48Å; M166-L170 PolarHBondContact O-N 2.9Å; L170-L172 PolarHBondContact O-N 2.91Å; L170-L173 PolarHBondContact O-N 3.45Å; L170-I174 HydrophobicContact CG-CD1 4.2Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 2.79Å; L170-I174 VanDerWaalsContact O-N 3.08Å
171P86.9Confident86.3Confident58 Ų5897.3 Ų97.338%0.37752%0.517SS..Hα-helixtrans-64.9-37.5176.7-23.737.1000113.2M167 L173 I174 I175M167-P171 WeakPolarHBondContact O-CD 3.42Å; M167-P171 WeakPolarHBondContact O-CG 3.47Å; P171-L173 VanDerWaalsContact C-N 3.35Å; P171-L173 PolarHBondContact O-N 3.12Å; P171-I174 PolarHBondContact O-N 3.17Å; P171-I175 WeakPolarHBondContact O-CD1 3.48Å; P171-I175 VanDerWaalsContact O-CG1 3.25Å; P171-I175 WeakPolarHBondContact O-CG1 3.32Å; P171-I175 PolarHBondContact O-N 2.82Å
172L88.9Confident85.5Confident114 Ų11491.4 Ų91.460%0.59749%0.49SS*.Hα-helixtrans-63.5-41.2177.3-70.7176000112M168 V169 L170 I175 V176M168-L172 WeakPolarHBondContact O-CD1 3.28Å; M168-L172 VanDerWaalsContact O-CG 3.24Å; M168-L172 WeakPolarHBondContact O-CG 3.46Å; V169-L172 PolarHBondContact O-N 2.85Å; L170-L172 PolarHBondContact O-N 2.91Å; L172-I175 PolarHBondContact O-N 2.8Å; L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.08Å
173L90.4Very high84.2Confident90 Ų9093.7 Ų93.747%0.47150%0.502SS..Hα-helixtrans-64.1-42.6176.5-169.6158.6000110.8V169 L170 P171 V176 L177V169-L173 WeakPolarHBondContact O-CB 3.4Å; V169-L173 PolarHBondContact O-N 3.5Å; L170-L173 PolarHBondContact O-N 3.45Å; P171-L173 VanDerWaalsContact C-N 3.35Å; P171-L173 PolarHBondContact O-N 3.12Å; L173-V176 PolarHBondContact O-N 3.01Å; L173-L177 HydrophobicContact CD2-CD1 3.28Å; L173-L177 HydrophobicContact CD2-CG 3.89Å; L173-L177 HydrophobicContact CG-CD1 4.3Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.42Å
174I87.4Confident82.8Confident77 Ų7792.9 Ų92.940%0.39550%0.495SS..Hα-helixtrans-60.6-46.5174.6-69.7169.7000110.7L170 P171 V176 L177 L178L170-I174 HydrophobicContact CG-CD1 4.2Å; L170-I174 WeakPolarHBondContact O-CG1 3.34Å; L170-I174 PolarHBondContact O-N 2.79Å; L170-I174 VanDerWaalsContact O-N 3.08Å; P171-I174 PolarHBondContact O-N 3.17Å; I174-V176 PolarHBondContact O-N 2.87Å; I174-L177 PolarHBondContact O-N 3.44Å; I174-L178 HydrophobicContact CG2-CD1 3.35Å; I174-L178 HydrophobicContact CG2-CG 3.66Å; I174-L178 WeakPolarHBondContact O-CB 3.08Å; I174-L178 WeakPolarHBondContact O-CG 3.34Å; I174-L178 PolarHBondContact O-N 3.1Å
175I86Confident81.3Confident111 Ų11193.4 Ų93.457%0.56950%0.501SS*.Hα-helixtrans-62.7-31.8179.3-68.6162.8000112.1P171 L172 P179P171-I175 WeakPolarHBondContact O-CD1 3.48Å; P171-I175 VanDerWaalsContact O-CG1 3.25Å; P171-I175 WeakPolarHBondContact O-CG1 3.32Å; P171-I175 PolarHBondContact O-N 2.82Å; L172-I175 PolarHBondContact O-N 2.8Å; I175-P179 WeakPolarHBondContact O-CD 3.39Å; I175-P179 VanDerWaalsContact O-CG 3.25Å; I175-P179 WeakPolarHBondContact O-CG 3.46Å
176V88.1Confident80Confident95 Ų9596.1 Ų96.158%0.57651%0.514SS*.Hα-helixtrans-81.5-35177.7172.60000112.3L172 L173 I174L172-V176 WeakPolarHBondContact O-CG2 3.31Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.08Å; L173-V176 PolarHBondContact O-N 3.01Å; I174-V176 PolarHBondContact O-N 2.87Å
177L85.4Confident78.8Confident87 Ų8796.8 Ų96.846%0.45553%0.525SS..Hα-helixtrans-84.4-35.8-179-71-171.4000113.2L173 I174 K180 V181L173-L177 HydrophobicContact CD2-CD1 3.28Å; L173-L177 HydrophobicContact CD2-CG 3.89Å; L173-L177 HydrophobicContact CG-CD1 4.3Å; L173-L177 WeakPolarHBondContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.42Å; I174-L177 PolarHBondContact O-N 3.44Å; L177-K180 CarbonylContact O-C 3.55Å; L177-K180 WeakPolarHBondContact O-CA 3.35Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.13Å; L177-V181 PolarHBondContact O-N 2.61Å
178L80.8Confident77.8Confident79 Ų7997.4 Ų97.441%0.41453%0.526SS..Hα-helixtrans-52.2-48.7179.5-79.9176.1000111.9I174 K180 V181 V182I174-L178 HydrophobicContact CG2-CD1 3.35Å; I174-L178 HydrophobicContact CG2-CG 3.66Å; I174-L178 WeakPolarHBondContact O-CB 3.08Å; I174-L178 WeakPolarHBondContact O-CG 3.34Å; I174-L178 PolarHBondContact O-N 3.1Å; L178-K180 PolarHBondContact O-N 3.21Å; L178-K180 VanDerWaalsContact O-N 3.16Å; L178-V181 PolarHBondContact O-N 2.81Å; L178-V182 HydrophobicContact CD2-CG2 3.93Å; L178-V182 WeakPolarHBondContact O-CA 3.29Å; L178-V182 WeakPolarHBondContact O-CB 3.33Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 2.99Å
179P74.4Confident76.7Confident74 Ų7494.4 Ų94.448%0.48151%0.511SS..Hα-helixtrans-65.3-21177.7-18.931000114.1I175I175-P179 WeakPolarHBondContact O-CD 3.39Å; I175-P179 VanDerWaalsContact O-CG 3.25Å; I175-P179 WeakPolarHBondContact O-CG 3.46Å
180K77.1Confident75.4Confident167 Ų16797.2 Ų97.273%0.72651%0.514SS*.Hα-helixtrans-87.9-29.6-179.5-71.8-85.2172.765.70112.5L177 L178L177-K180 CarbonylContact O-C 3.55Å; L177-K180 WeakPolarHBondContact O-CA 3.35Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.32Å; L178-K180 PolarHBondContact O-N 3.21Å; L178-K180 VanDerWaalsContact O-N 3.16Å
181V72.2Confident74.6Confident103 Ų10399.5 Ų99.562%0.62452%0.52SS*.Hα-helixtrans-103.2-29.5-179.1-56.60000112.7L177 L178L177-V181 WeakPolarHBondContact O-CG2 3.13Å; L177-V181 PolarHBondContact O-N 2.61Å; L178-V181 PolarHBondContact O-N 2.81Å
182V71.1Confident73.6Confident28 Ų28102.7 Ų102.717%0.1753%0.53CS..SBendtrans-89.1106.6170.3177.90000107L178 T184 M189L178-V182 HydrophobicContact CD2-CG2 3.93Å; L178-V182 WeakPolarHBondContact O-CA 3.29Å; L178-V182 WeakPolarHBondContact O-CB 3.33Å; L178-V182 WeakPolarHBondContact O-CG2 3.38Å; L178-V182 PolarHBondContact O-N 2.99Å; V182-T184 PolarHBondContact O-N 2.69Å; V182-M189 HydrophobicContact CB-CE 3.74Å; V182-M189 HydrophobicContact CG1-CE 3.23Å; V182-M189 HydrophobicContact CG1-SD 3.87Å; V182-M189 HydrophobicContact CG2-CE 3.57Å
183N63.5Low72.6Confident102 Ų102103 Ų10355%0.54553%0.53SS..  trans-57.3107.6176-67.8-46.3000108.9N185 D186N183-N185 PolarHBondContact O-N 3.3Å; N183-D186 PolarHBondContact O-N 2.77Å
184T59.6Low71.5Confident76 Ų76105.1 Ų105.147%0.46654%0.537SS..THydrogen-bonded Turntrans-65.4-3-176.6-59.50000112.6V182 R190V182-T184 PolarHBondContact O-N 2.69Å; T184-R190 PolarHBondContact O-NE 3.22Å; T184-R190 PolarHBondContact O-NH2 3.46Å
185N59.4Low70.5Confident146 Ų146107.8 Ų107.878%0.78155%0.548SS*.THydrogen-bonded Turntrans-101.1-2.6-176.2-64.3-60.8000115.1N183N183-N185 PolarHBondContact O-N 3.3Å
186D64Low69.5Low80 Ų80105 Ų10543%0.42854%0.538SS..  trans-95.3123.5-178.9-73.7-40.7000112.7N183 E188N183-D186 PolarHBondContact O-N 2.77Å; D186-E188 VanDerWaalsContact C-N 3.34Å; D186-E188 PolarHBondContact O-N 3.03Å
187P65Low68.3Low98 Ų98107 Ų10764%0.63654%0.543SS*.Hα-helixtrans-74.2-13.9-176.627.9-34000115.1
188E66.6Low67.3Low155 Ų155109 Ų10972%0.72455%0.554SS**Hα-helixtrans-80.3-45.9175.6-80.8-168.2146.100112.7D186 R190 K191 E192D186-E188 VanDerWaalsContact C-N 3.34Å; D186-E188 PolarHBondContact O-N 3.03Å; E188-R190 PolarHBondContact O-N 2.9Å; E188-K191 PolarHBondContact O-N 3.5Å; E188-K191 VanDerWaalsContact O-N 3.09Å; E188-E192 PolarHBondContact O-N 3.17Å
189M65.8Low66.3Low76 Ų76112.5 Ų112.537%0.37457%0.57SS.*Hα-helixtrans-62.7-30.4178.6-99.8179.5101.500113.1V182 E192 M193V182-M189 HydrophobicContact CB-CE 3.74Å; V182-M189 HydrophobicContact CG1-CE 3.23Å; V182-M189 HydrophobicContact CG1-SD 3.87Å; V182-M189 HydrophobicContact CG2-CE 3.57Å; M189-E192 PolarHBondContact O-N 2.99Å; M189-M193 VanDerWaalsContact O-CB 3.31Å; M189-M193 WeakPolarHBondContact O-CB 3.22Å; M189-M193 PolarHBondContact O-N 2.8Å
190R64Low65.6Low135 Ų135115.8 Ų115.851%0.50958%0.583SS.*Hα-helixtrans-65-40.7174.7-67.6-176.1-178.4-166.51.3112T184 E188 M193 E194T184-R190 PolarHBondContact O-NE 3.22Å; T184-R190 PolarHBondContact O-NH2 3.46Å; E188-R190 PolarHBondContact O-N 2.9Å; R190-M193 PolarHBondContact O-N 2.8Å; R190-E194 WeakPolarHBondContact O-CB 3.45Å; R190-E194 VanDerWaalsContact O-CG 3.26Å; R190-E194 WeakPolarHBondContact O-CG 3.15Å; R190-E194 PolarHBondContact O-N 3.34Å
191K69.1Low64.6Low139 Ų139112.2 Ų112.260%0.60457%0.572SS**Hα-helixtrans-66-38.4176.3-73.4179.1178.2176.20111.7E188 Q195E188-K191 PolarHBondContact O-N 3.5Å; E188-K191 VanDerWaalsContact O-N 3.09Å; K191-Q195 WeakPolarHBondContact O-CB 3.4Å; K191-Q195 WeakPolarHBondContact O-CG 3.32Å; K191-Q195 PolarHBondContact O-N 2.97Å
192E67.8Low63.4Low124 Ų124112.7 Ų112.758%0.57958%0.577SS**Hα-helixtrans-71-34.2175.6-64.8-178174.200112.5E188 M189 Q195 S196E188-E192 PolarHBondContact O-N 3.17Å; M189-E192 PolarHBondContact O-N 2.99Å; E192-Q195 PolarHBondContact O-N 3.32Å; E192-S196 WeakPolarHBondContact O-CB 3.37Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 PolarHBondContact O-OG 3.24Å
193M67.7Low62.1Low121 Ų121117 Ų11760%0.59660%0.599SS**Hα-helixtrans-71.3-39.6175.1-155.7174.294.700111.7M189 R190 S196 M197M189-M193 VanDerWaalsContact O-CB 3.31Å; M189-M193 WeakPolarHBondContact O-CB 3.22Å; M189-M193 PolarHBondContact O-N 2.8Å; R190-M193 PolarHBondContact O-N 2.8Å; M193-S196 WeakPolarHBondContact CA-OG 3.47Å; M193-S196 PolarHBondContact O-OG 2.9Å; M193-M197 WeakPolarHBondContact O-CB 3.42Å; M193-M197 PolarHBondContact O-N 3.25Å
194E67.4Low61.6Low134 Ų134118 Ų11863%0.62661%0.611SS**Hα-helixtrans-63.2-41.2172-75.3169.5-165.200111.6R190 N198R190-E194 WeakPolarHBondContact O-CB 3.45Å; R190-E194 VanDerWaalsContact O-CG 3.26Å; R190-E194 WeakPolarHBondContact O-CG 3.15Å; R190-E194 PolarHBondContact O-N 3.34Å; E194-N198 VanDerWaalsContact O-CB 3.26Å; E194-N198 WeakPolarHBondContact O-CB 3.37Å; E194-N198 PolarHBondContact O-N 3.26Å
195Q66.7Low61Low134 Ų134122.6 Ų122.663%0.62663%0.627SS**Hα-helixtrans-68.2-42.7176.7-75.7172.7-0.400112.9K191 E192 N198 M199K191-Q195 WeakPolarHBondContact O-CB 3.4Å; K191-Q195 WeakPolarHBondContact O-CG 3.32Å; K191-Q195 PolarHBondContact O-N 2.97Å; E192-Q195 PolarHBondContact O-N 3.32Å; Q195-N198 PolarHBondContact O-N 3.47Å; Q195-M199 WeakPolarHBondContact O-CB 3.37Å; Q195-M199 PolarHBondContact O-N 3.47Å
196S63.9Low60.5Low51 Ų51122.5 Ų122.536%0.35763%0.626SS.*Hα-helixtrans-72.2-33.7177.954.20000112.9E192 M193 M199 L200E192-S196 WeakPolarHBondContact O-CB 3.37Å; E192-S196 PolarHBondContact O-N 3.46Å; E192-S196 PolarHBondContact O-OG 3.24Å; M193-S196 WeakPolarHBondContact CA-OG 3.47Å; M193-S196 PolarHBondContact O-OG 2.9Å; S196-M199 PolarHBondContact O-N 2.93Å; S196-L200 WeakPolarHBondContact O-CB 3.48Å; S196-L200 VanDerWaalsContact O-CG 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.47Å; S196-L200 PolarHBondContact O-N 2.99Å
197M63.5Low59.8Low137 Ų137122.1 Ų122.168%0.67563%0.628SS**Hα-helixtrans-68.1-36.5172.3-166.766.8175.300111.9M193 M199 N201M193-M197 WeakPolarHBondContact O-CB 3.42Å; M193-M197 PolarHBondContact O-N 3.25Å; M197-M199 VanDerWaalsContact C-N 3.33Å; M197-N201 WeakPolarHBondContact O-CB 3.29Å; M197-N201 PolarHBondContact O-N 3.06Å
198N64Low59.3Low129 Ų129122.5 Ų122.569%0.6963%0.625SS**Hα-helixtrans-68.7-31.1172.3-165.933.6000112.1E194 Q195E194-N198 VanDerWaalsContact O-CB 3.26Å; E194-N198 WeakPolarHBondContact O-CB 3.37Å; E194-N198 PolarHBondContact O-N 3.26Å; Q195-N198 PolarHBondContact O-N 3.47Å
199M60.6Low58.8Low153 Ų153120.8 Ų120.875%0.75463%0.625SS**Hα-helixtrans-83.2-30.8179.2-165162.471.600113.7Q195 S196 M197 N201Q195-M199 WeakPolarHBondContact O-CB 3.37Å; Q195-M199 PolarHBondContact O-N 3.47Å; S196-M199 PolarHBondContact O-N 2.93Å; M197-M199 VanDerWaalsContact C-N 3.33Å; M199-N201 VanDerWaalsContact C-N 3.26Å
200L59.8Low58.3Low143 Ų143120.1 Ų120.175%0.74963%0.627SS**Hα-helixtrans-78.8-8.6172.8-71.1170.1000113.1S196 P202S196-L200 WeakPolarHBondContact O-CB 3.48Å; S196-L200 VanDerWaalsContact O-CG 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.47Å; S196-L200 PolarHBondContact O-N 2.99Å; L200-P202 VanDerWaalsContact O-CD 3.23Å; L200-P202 WeakPolarHBondContact O-CD 3.34Å
201N55.2Low58Low93 Ų93119.6 Ų119.650%0.49763%0.631SS.*  trans-113.468.1171.9-161.518.7000111.3M197 M199 N203M197-N201 WeakPolarHBondContact O-CB 3.29Å; M197-N201 PolarHBondContact O-N 3.06Å; M199-N201 VanDerWaalsContact C-N 3.26Å; N201-N203 PolarHBondContact O-N 3.4Å
202P46.3Very low57.9Low112 Ų112117.5 Ų117.573%0.72763%0.626SS**  trans-74.414-177.532.2-36.5000114L200L200-P202 VanDerWaalsContact O-CD 3.23Å; L200-P202 WeakPolarHBondContact O-CD 3.34Å
203N44.6Very low57.6Low119 Ų119118.8 Ų118.864%0.63663%0.633SS**  trans-132.2109.2177.5-127.73.9000111.9N201 E205N201-N203 PolarHBondContact O-N 3.4Å; N203-E205 PolarHBondContact O-N 2.64Å
204P53.3Low57.2Low122 Ų122117.1 Ų117.179%0.79263%0.63SS**SBendtrans-80.539.4-173.435.2-36.5000113.4
205E47.1Very low56.6Low173 Ų173118.7 Ų118.781%0.80864%0.635SS**  trans-138.535.8-176.9-67.9-151.2169.300114.9N203N203-E205 PolarHBondContact O-N 2.64Å
206L49.2Very low56.8Low144 Ų144120 Ų12075%0.75465%0.645SS**  trans-118.4130.2161-69177.9000111.2
207P49.4Very low56.9Low73 Ų73126.9 Ų126.947%0.47467%0.669SS.*  trans-72153.4177.931-32.7000110.6V209P207-V209 PolarHBondContact O-N 2.98Å
208D54Low56.2Low105 Ų105124 Ų12456%0.56166%0.663SS**  trans-44.4133.4-173.7-169.321000112.6S210 E211D208-S210 VanDerWaalsContact CG-OG 3.29Å; D208-S210 PolarHBondContact O-N 3.48Å; D208-S210 PolarHBondContact OD2-OG 3.06Å; D208-E211 PolarHBondContact O-N 3.42Å
209V56.3Low55.2Low120 Ų120121.2 Ų121.273%0.72767%0.665SS**Hα-helixtrans-55.1-22.1-175.9-78.30000113P207 M213P207-V209 PolarHBondContact O-N 2.98Å; V209-M213 PolarHBondContact O-N 2.88Å
210S53.8Low54.7Low61 Ų61119.2 Ų119.243%0.42767%0.665SS.*Hα-helixtrans-66.8-35.3173.467.50000113.5D208 T214D208-S210 VanDerWaalsContact CG-OG 3.29Å; D208-S210 PolarHBondContact O-N 3.48Å; D208-S210 PolarHBondContact OD2-OG 3.06Å; S210-T214 WeakPolarHBondContact O-CB 3.33Å; S210-T214 PolarHBondContact O-N 3.25Å; S210-T214 PolarHBondContact O-OG1 3.42Å
211E57.5Low53.5Low125 Ų125122.4 Ų122.458%0.58467%0.673SS**Hα-helixtrans-78.7-37.6179.4-69.5-166.4158.800112.2D208 T214 K215D208-E211 PolarHBondContact O-N 3.42Å; E211-T214 PolarHBondContact O-N 3.03Å; E211-K215 VanDerWaalsContact O-CB 3.27Å; E211-K215 WeakPolarHBondContact O-CB 3.49Å; E211-K215 PolarHBondContact O-N 3.22Å
212L67.1Low52.4Low95 Ų95121.5 Ų121.550%0.49769%0.686SS.*Hα-helixtrans-65.1-42.3175.1-90.5168.3000112.1K215 L216L212-K215 PolarHBondContact O-N 3.41Å; L212-L216 PolarHBondContact O-N 3.45Å
213M61.8Low51.6Low150 Ų150122 Ų12274%0.73969%0.693SS**Hα-helixtrans-66.6-38.3177.3-168.3174.2175.900111.5V209 F217V209-M213 PolarHBondContact O-N 2.88Å; M213-F217 VanDerWaalsContact O-CB 3.31Å; M213-F217 WeakPolarHBondContact O-CB 3.16Å; M213-F217 PolarHBondContact O-N 3.47Å; M213-F217 VanDerWaalsContact O-N 3.11Å
214T59.2Low50.7Low87 Ų87122 Ų12253%0.53470%0.701SS.*Hα-helixtrans-69.4-36.4175.6-55.20000111.6S210 E211 F217 S218S210-T214 WeakPolarHBondContact O-CB 3.33Å; S210-T214 PolarHBondContact O-N 3.25Å; S210-T214 PolarHBondContact O-OG1 3.42Å; E211-T214 PolarHBondContact O-N 3.03Å; T214-F217 PolarHBondContact O-N 3.41Å; T214-S218 WeakPolarHBondContact O-CB 3.35Å; T214-S218 PolarHBondContact O-N 2.84Å; T214-S218 PolarHBondContact O-OG 2.83Å
215K55.8Low49.7Very low167 Ų167125.4 Ų125.473%0.72670%0.704SS**Hα-helixtrans-74.1-30.3179.7-150.6169.8-172.4175.30113.2E211 L212E211-K215 VanDerWaalsContact O-CB 3.27Å; E211-K215 WeakPolarHBondContact O-CB 3.49Å; E211-K215 PolarHBondContact O-N 3.22Å; L212-K215 PolarHBondContact O-N 3.41Å
216L69.9Low48.7Very low161 Ų161123.4 Ų123.484%0.84370%0.703SS**Hα-helixtrans-75.8-34172.9-141.696.3000112.2L212L212-L216 PolarHBondContact O-N 3.45Å
217F66.4Low47.6Very low195 Ų195120.7 Ų120.786%0.85570%0.702SS**Hα-helixtrans-91.3-22.8-177-165.9-108.9000114.1M213 T214M213-F217 VanDerWaalsContact O-CB 3.31Å; M213-F217 WeakPolarHBondContact O-CB 3.16Å; M213-F217 PolarHBondContact O-N 3.47Å; M213-F217 VanDerWaalsContact O-N 3.11Å; T214-F217 PolarHBondContact O-N 3.41Å
218S48Very low46.4Very low77 Ų77122.5 Ų122.554%0.53872%0.716SS.*SBendtrans-97.4-0.8179.370.40000115.1T214 S220T214-S218 WeakPolarHBondContact O-CB 3.35Å; T214-S218 PolarHBondContact O-N 2.84Å; T214-S218 PolarHBondContact O-OG 2.83Å; S218-S220 PolarHBondContact O-N 3.16Å
219G44.7Very low45.1Very low71 Ų71122.2 Ų122.273%0.73272%0.723SS**  trans-70.129.7-178.900000116.9
220S48.4Very low43.8Very low110 Ų110121.9 Ų121.977%0.76973%0.726SS**  trans-141.968.2177.8-174.20000112.6S218S218-S220 PolarHBondContact O-N 3.16Å
221K34.6Very low42.6Very low210 Ų210124.2 Ų124.291%0.91374%0.742SS**  trans170.7120.3159.3-112.9172.7170.6171.40107.1
222G32.2Very low41.4Very low75 Ų75128.8 Ų128.877%0.77376%0.76SS**  cis164.1159.55.500000106.8
223S29.3Very low39.8Very low123 Ų123128 Ų12886%0.8677%0.774SS**  trans86.8108166179.10000119.9
224S27.4Very low38.4Very low117 Ų117125.9 Ų125.982%0.81878%0.775SS**  -157.8140.6113600000112.7
225K30.5Very low37.6Very low194 Ų194133.1 Ų133.184%0.84379%0.792SS**  trans-65.8152.5171-65.7167.8172.8173.20109.2
226T26.1Very low37.3Very low131 Ų131130.8 Ų130.880%0.80479%0.794SS**  178143.470.5-52.50000110.8
227A26.6Very low35.8Very low88 Ų88128 Ų12873%0.72780%0.795SS**  trans58.4117.915400000122.7
228S25.6Very low34.8Very low110 Ų110123.7 Ų123.777%0.76980%0.795SS**  173.3135.499.347.90000114.2
229S25.7Very low34.8Very low100 Ų100130 Ų13070%0.69981%0.813SS**  trans58.1126.8145.362.30000124.1
230S28.2Very low34.9Very low113 Ų113138.3 Ų138.379%0.7982%0.822SS**  trans72.2151.5140.776.10000118.1
231S30.1Very low34.9Very low109 Ų109148.2 Ų148.276%0.76284%0.842SS**  cis-162.3137-25.347.50000105.4
232K32Very low34.9Very low221 Ų221145.2 Ų145.296%0.96184%0.839SS**  trans-35.5129.6169.4-153.6171.3-170.8174.10113.9
233G32.2Very low35.1Very low78 Ų78148.8 Ų148.880%0.80484%0.842SS**  trans-159.395.7169.500000112.2
234S34.2Very low35.4Very low107 Ų107150.3 Ų150.375%0.74884%0.841SS**  trans-78.3144.4170.969.30000111.2
235R42Very low35.8Very low238 Ų238152.2 Ų152.290%0.89884%0.843SS**  176.7158123.9-97.3178.4133.6155.1-1.8113.2
236P49.6Very low36.2Very low119 Ų119149.6 Ų149.677%0.77384%0.843SS**  trans-105.5174.6-146.840.5-36.4000116.1
237A37.4Very low36.9Very low103 Ų103150.9 Ų150.985%0.85185%0.845SS**PPolyproline II helixtrans-50.9135178.300000115.5
238A46.9Very low37.6Very low104 Ų104155.4 Ų155.486%0.8685%0.854SS**PPolyproline II helixtrans-91.3124.6171.900000110.7
239K46.2Very low38.5Very low210 Ų210158.8 Ų158.891%0.91386%0.86SS**PPolyproline II helixtrans-87.3130.7166.9-174.8170.6-173.8173.60108.3
240R47.5Very low39.6Very low245 Ų245163.8 Ų163.893%0.92587%0.874SS**  trans-139.8129.8162.9-126.1173.1121.8168.7-0.6110.9
241R48.6Very low40.6Very low318 Ų318168.4 Ų168.4100%1.288%0.881SS**  trans-23.60167.8-91167.9153.2164.9-7.8116.4

Retrieved 241 of 241 residues in 141.8 ms (Link to these results)