A0A3Q0KPI8_SCHMA Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 274 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
1M49.7Very low48.3Very low257 Ų257137 Ų137100%1.26682%0.816SS**  097.20-74.3166.9148.700107.5
2G51Low48.6Very low76 Ų76133 Ų13378%0.78481%0.809SS**  trans-165.392.7-17800000108.3
3S45.8Very low48.9Very low118 Ų118134.6 Ų134.683%0.82580%0.798SS**  trans-77.8117.9-178.4-104.10000110.1T5S3-T5 PolarHBondContact O-N 3.2Å
4S46.6Very low49.1Very low124 Ų124135.6 Ų135.687%0.86779%0.788SS**  trans-75110.5164.1-570000108.9S6S4-S6 PolarHBondContact O-N 3.03Å
5T49.4Very low49.3Very low132 Ų132135.5 Ų135.581%0.8177%0.774SS**  trans-81.4107.4171.7350000110.3S3 K7S3-T5 PolarHBondContact O-N 3.2Å; T5-K7 PolarHBondContact O-N 3.5Å
6S46.8Very low49.9Very low107 Ų107128.6 Ų128.675%0.74874%0.737SS**  trans-51.6123.3161.2165.90000110.9S4S4-S6 PolarHBondContact O-N 3.03Å
7K47.3Very low50.4Low205 Ų205128.1 Ų128.189%0.89173%0.726SS**  trans-83.8109.7170.8-77.7-177.3177.6179.30109.2T5T5-K7 PolarHBondContact O-N 3.5Å
8H48.4Very low50.8Low161 Ų161125.1 Ų125.175%0.74571%0.712SS**  trans-65.3155.2168-112-89.2000111.8S10H8-S10 PolarHBondContact O-N 3.13Å
9P44.6Very low51.2Low116 Ų116121.4 Ų121.475%0.75369%0.687SS**  trans-86.190.9-17334.3-28.1000110.7
10S49.5Very low51.8Low94 Ų94119.2 Ų119.266%0.65767%0.672SS**  trans-98.57.1170.844.80000113.4H8H8-S10 PolarHBondContact O-N 3.13Å
11N52.3Low52.3Low117 Ų117117.9 Ų117.963%0.62668%0.677SS**Hα-helixtrans-89.2-19.9-163.2-56.7-19.1000114.4K13 F15N11-K13 PolarHBondContact O-N 3.03Å; N11-F15 WeakPolarHBondContact O-CB 3.5Å; N11-F15 PolarHBondContact O-N 2.78Å; N11-F15 VanDerWaalsContact O-N 3.12Å
12A51.5Low53.2Low89 Ų89112.5 Ų112.574%0.73665%0.653SS**Hα-helixtrans-70.2-33.6-17300000113.6
13K52.5Low54.3Low154 Ų154111.2 Ų111.267%0.6763%0.628SS**Hα-helixtrans-79.6-36.1-179.8-154.2179.4-177.9-173.40112N11 F15 S16 E17N11-K13 PolarHBondContact O-N 3.03Å; K13-F15 VanDerWaalsContact C-N 3.35Å; K13-S16 PolarHBondContact O-OG 2.9Å; K13-E17 PolarHBondContact O-N 2.94Å
14F51.4Low55.9Low148 Ų148107.2 Ų107.265%0.64961%0.605SS**Hα-helixtrans-70.1-34.2178.6-145.9-93.7000112T18F14-T18 WeakPolarHBondContact O-CB 3.19Å; F14-T18 PolarHBondContact O-N 3.48Å; F14-T18 VanDerWaalsContact O-N 3.14Å; F14-T18 PolarHBondContact O-OG1 3.27Å
15F53.5Low57.8Low134 Ų134101.3 Ų101.359%0.58856%0.564SS**Hα-helixtrans-66.8-42177.6-143.9-103.4000111.8N11 K13 E17 T18 F19N11-F15 WeakPolarHBondContact O-CB 3.5Å; N11-F15 PolarHBondContact O-N 2.78Å; N11-F15 VanDerWaalsContact O-N 3.12Å; K13-F15 VanDerWaalsContact C-N 3.35Å; F15-E17 PolarHBondContact O-N 2.79Å; F15-T18 PolarHBondContact O-N 2.91Å; F15-F19 AromaticContact CD1-CD2 3.78Å; F15-F19 HydrophobicContact CD1-CD2 3.78Å; F15-F19 AromaticContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CZ 4.3Å; F15-F19 HydrophobicContact CD2-CE2 4.26Å; F15-F19 AromaticContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CE1 4.42Å; F15-F19 AromaticContact CE1-CE2 3.11Å; F15-F19 HydrophobicContact CE1-CE2 3.11Å; F15-F19 AromaticContact CE1-CZ 3.48Å; F15-F19 HydrophobicContact CE1-CZ 3.48Å; F15-F19 VanDerWaalsContact CE1-CZ 3.48Å; F15-F19 AromaticContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CG-CD2 4.27Å; F15-F19 HydrophobicContact CG-CE2 4.12Å; F15-F19 HydrophobicContact CZ-CD2 4.3Å; F15-F19 AromaticContact CZ-CE2 3.29Å; F15-F19 HydrophobicContact CZ-CE2 3.29Å; F15-F19 AromaticContact CZ-CZ 3.68Å; F15-F19 HydrophobicContact CZ-CZ 3.68Å; F15-F19 WeakPolarHBondContact O-CD2 3.1Å; F15-F19 PolarHBondContact O-N 3.06Å
16S58.3Low59.5Low25 Ų2595.4 Ų95.418%0.17553%0.527CS..Hα-helixtrans-68-34.917955.50000113.7K13 L20K13-S16 PolarHBondContact O-OG 2.9Å; S16-L20 PolarHBondContact O-N 3.33Å
17E59.1Low61.2Low120 Ų12095.8 Ų95.856%0.56152%0.521SS*.Hα-helixtrans-75.9-33.7-179.5-70.3177-169.200111.9K13 F15K13-E17 PolarHBondContact O-N 2.94Å; F15-E17 PolarHBondContact O-N 2.79Å
18T57.2Low63Low75 Ų7592.3 Ų92.346%0.4651%0.506SS..Hα-helixtrans-72-38.7178.3-49.80000111.7F14 F15 A21F14-T18 WeakPolarHBondContact O-CB 3.19Å; F14-T18 PolarHBondContact O-N 3.48Å; F14-T18 VanDerWaalsContact O-N 3.14Å; F14-T18 PolarHBondContact O-OG1 3.27Å; F15-T18 PolarHBondContact O-N 2.91Å; T18-A21 PolarHBondContact O-N 3.5Å
19F58.1Low64.6Low55 Ų5584.7 Ų84.724%0.24147%0.471CS..Hα-helixtrans-70.1-32.7179.8-89.8-107000113.4F15 A21 D22 I23F15-F19 AromaticContact CD1-CD2 3.78Å; F15-F19 HydrophobicContact CD1-CD2 3.78Å; F15-F19 AromaticContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CE2 3.56Å; F15-F19 HydrophobicContact CD1-CZ 4.3Å; F15-F19 HydrophobicContact CD2-CE2 4.26Å; F15-F19 AromaticContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CD2 3.81Å; F15-F19 HydrophobicContact CE1-CE1 4.42Å; F15-F19 AromaticContact CE1-CE2 3.11Å; F15-F19 HydrophobicContact CE1-CE2 3.11Å; F15-F19 AromaticContact CE1-CZ 3.48Å; F15-F19 HydrophobicContact CE1-CZ 3.48Å; F15-F19 VanDerWaalsContact CE1-CZ 3.48Å; F15-F19 AromaticContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CE2-CE2 3.87Å; F15-F19 HydrophobicContact CG-CD2 4.27Å; F15-F19 HydrophobicContact CG-CE2 4.12Å; F15-F19 HydrophobicContact CZ-CD2 4.3Å; F15-F19 AromaticContact CZ-CE2 3.29Å; F15-F19 HydrophobicContact CZ-CE2 3.29Å; F15-F19 AromaticContact CZ-CZ 3.68Å; F15-F19 HydrophobicContact CZ-CZ 3.68Å; F15-F19 WeakPolarHBondContact O-CD2 3.1Å; F15-F19 PolarHBondContact O-N 3.06Å; F19-A21 PolarHBondContact O-N 3.3Å; F19-D22 PolarHBondContact O-N 3.19Å; F19-I23 HydrophobicContact CD1-CD1 3.44Å; F19-I23 VanDerWaalsContact CD1-CD1 3.44Å; F19-I23 HydrophobicContact CD1-CG1 4.2Å; F19-I23 HydrophobicContact CE1-CD1 3.6Å; F19-I23 PolarHBondContact O-N 3.17Å
20L63.9Low66.5Low76 Ų7683 Ų8340%0.39846%0.459SS..Hα-helixtrans-63.2-33.5178.6-156.977.8000112.1S16 D26 V31S16-L20 PolarHBondContact O-N 3.33Å; L20-D26 HydrophobicContact CD1-CB 3.9Å; L20-V31 HydrophobicContact CD1-CG2 3.41Å; L20-V31 VanDerWaalsContact CD1-CG2 3.41Å; L20-V31 HydrophobicContact CG-CG2 4.41Å
21A62.2Low68.3Low92 Ų9280.5 Ų80.576%0.7644%0.439SS*.Hα-helixtrans-80.2-24.4-178.500000113.7T18 F19T18-A21 PolarHBondContact O-N 3.5Å; F19-A21 PolarHBondContact O-N 3.3Å
22D67.9Low70Confident144 Ų14480 Ų8077%0.7744%0.437SS*.Hα-helixtrans-102.9-42.5-173.5-158.229.6000112.6F19F19-D22 PolarHBondContact O-N 3.19Å
23I73.6Confident71.8Confident49 Ų4977 Ų7725%0.25141%0.41SS..THydrogen-bonded Turntrans-102.8-26.1-173.7-45.1-168.9000111.7F19 D55 C57F19-I23 HydrophobicContact CD1-CD1 3.44Å; F19-I23 VanDerWaalsContact CD1-CD1 3.44Å; F19-I23 HydrophobicContact CD1-CG1 4.2Å; F19-I23 HydrophobicContact CE1-CD1 3.6Å; F19-I23 PolarHBondContact O-N 3.17Å; I23-D55 HydrophobicContact CD1-CB 4.49Å; I23-C57 PolarHBondContact O-SG 3.4Å
24G80.6Confident73.1Confident34 Ų3479.1 Ų79.135%0.35142%0.419SS..SBendtrans82.314.8-179.900000114.8
25C86Confident73.9Confident0 Ų077.4 Ų77.40%042%0.416CS..  trans-143.5166171.648.80000111.2L48 V50 C57C25-L48 HydrophobicContact CB-CB 3.7Å; C25-V50 HydrophobicContact CB-CG2 4.38Å; C25-C57 HydrophobicContact CB-CB 3.71Å; C25-C57 WeakPolarHBondContact CB-SG 3.42Å; C25-C57 WeakPolarHBondContact SG-CA 3.23Å; C25-C57 WeakPolarHBondContact SG-CB 3.35Å; C25-C57 CovalentContact SG-SG 2.04Å; C25-C57 PolarHBondContact SG-SG 2.87Å
26D84.3Confident74.5Confident8 Ų880.4 Ų80.44%0.04343%0.432CS..BIsolated β-bridgetrans-133.8170.8178.269.1-14.9000111.9L20 K28 G29 T30 Y49 V50L20-D26 HydrophobicContact CD1-CB 3.9Å; D26-K28 PolarHBondContact O-N 2.92Å; D26-K28 WeakPolarHBondContact OD2-CB 3.48Å; D26-G29 WeakPolarHBondContact OD1-CA 3.29Å; D26-G29 PolarHBondContact OD1-N 3.14Å; D26-T30 PolarHBondContact OD1-N 3.47Å; D26-T30 PolarHBondContact OD1-OG1 2.97Å; D26-T30 VanDerWaalsContact OD2-CB 3.28Å; D26-T30 WeakPolarHBondContact OD2-CB 3.29Å; D26-T30 WeakPolarHBondContact OD2-CG2 3.49Å; D26-T30 PolarHBondContact OD2-N 3.18Å; D26-T30 PolarHBondContact OD2-OG1 3.31Å; D26-Y49 VanDerWaalsContact O-CA 3.31Å; D26-Y49 WeakPolarHBondContact O-CA 3.28Å; D26-V50 PolarHBondContact O-N 3.37Å
27N83.7Confident74.9Confident116 Ų11681.1 Ų81.162%0.6244%0.443SS*.THydrogen-bonded Turntrans-77.6-8.1175.659.5-8.3000113.5
28K83.7Confident75.8Confident131 Ų13178 Ų7857%0.5743%0.43SS*.THydrogen-bonded Turntrans-100.4-6.7-178.8-62.8179.2-178.2177.40113.8D26 T30 K62D26-K28 PolarHBondContact O-N 2.92Å; D26-K28 WeakPolarHBondContact OD2-CB 3.48Å; K28-T30 HydrophobicContact CB-CG2 4.16Å; K28-K62 PolarHBondContact O-NZ 3.24Å
29G83.6Confident77.1Confident2 Ų279.1 Ų79.12%0.02144%0.439CS..  trans61.148.2-174.300000112D26 A47D26-G29 WeakPolarHBondContact OD1-CA 3.29Å; D26-G29 PolarHBondContact OD1-N 3.14Å; G29-A47 WeakPolarHBondContact O-CB 3.42Å
30T84.5Confident78.7Confident81 Ų8178 Ų7850%0.49744%0.438SS..  trans-83.4-22.9174.260.50000112.6D26 K28D26-T30 PolarHBondContact OD1-N 3.47Å; D26-T30 PolarHBondContact OD1-OG1 2.97Å; D26-T30 VanDerWaalsContact OD2-CB 3.28Å; D26-T30 WeakPolarHBondContact OD2-CB 3.29Å; D26-T30 WeakPolarHBondContact OD2-CG2 3.49Å; D26-T30 PolarHBondContact OD2-N 3.18Å; D26-T30 PolarHBondContact OD2-OG1 3.31Å; K28-T30 HydrophobicContact CB-CG2 4.16Å
31V87.3Confident79.9Confident40 Ų4078.7 Ų78.724%0.24244%0.441CS..EExtended strand (participates in β ladder)trans-86120.1177.1-171.10000110L20 A47 L48L20-V31 HydrophobicContact CD1-CG2 3.41Å; L20-V31 VanDerWaalsContact CD1-CG2 3.41Å; L20-V31 HydrophobicContact CG-CG2 4.41Å; V31-A47 CarbonylContact O-C 3.55Å; V31-A47 VanDerWaalsContact O-CA 3.28Å; V31-A47 WeakPolarHBondContact O-CA 3.45Å; V31-L48 HydrophobicContact CB-CB 4.39Å; V31-L48 HydrophobicContact CG1-CD1 3.98Å; V31-L48 PolarHBondContact O-N 2.75Å
32L88.2Confident81.2Confident108 Ų10878 Ų7857%0.56543%0.425SS*.EExtended strand (participates in β ladder)trans-77.8146.9177.8-61.2177.5000111.5K34 I45L32-K34 PolarHBondContact O-N 3.3Å; L32-I45 HydrophobicContact CD2-CD1 4.15Å
33C88Confident82Confident25 Ų2574 Ų7417%0.16942%0.418CS..PPolyproline II helixtrans-63.1131.3172.7-57.60000110.6C46C33-C46 HydrophobicContact CB-CB 3.68Å; C33-C46 WeakPolarHBondContact CB-SG 3.41Å; C33-C46 PolarHBondContact N-O 2.82Å; C33-C46 VanDerWaalsContact N-O 3.1Å; C33-C46 WeakPolarHBondContact SG-CB 3.36Å; C33-C46 PolarHBondContact SG-O 3.38Å; C33-C46 VanDerWaalsContact SG-O 3.41Å; C33-C46 CovalentContact SG-SG 2.04Å; C33-C46 PolarHBondContact SG-SG 2.98Å
34K80Confident82.8Confident199 Ų19972.3 Ų72.387%0.86541%0.412SS*.  trans-84.9-23.7-178.7-167.7174.5178.4-177.90114.1L32L32-K34 PolarHBondContact O-N 3.3Å
35D68.9Low83.2Confident111 Ų11174.9 Ų74.959%0.59442%0.417SS*.SBendtrans-125.1151.5-173.4-51.8-50.8000110.9G37D35-G37 VanDerWaalsContact C-N 3.3Å; D35-G37 WeakPolarHBondContact O-CA 3.24Å; D35-G37 PolarHBondContact O-N 3.27Å
36E65.1Low83.5Confident197 Ų19775.7 Ų75.792%0.92142%0.422SS*.SBendtrans-1.781.1173.1-66.3-89.815900111.4
37G66.8Low83.8Confident40 Ų4075.3 Ų75.341%0.41242%0.42SS..  trans-63.7150.3-167.800000110.5D35D35-G37 VanDerWaalsContact C-N 3.3Å; D35-G37 WeakPolarHBondContact O-CA 3.24Å; D35-G37 PolarHBondContact O-N 3.27Å
38L77.9Confident84.1Confident54 Ų5471.3 Ų71.328%0.28340%0.399SS..  trans-48.3132.7167.6-162.872.2000108.6C40 Y71L38-C40 PolarHBondContact O-N 3.3Å; L38-C40 PolarHBondContact O-SG 2.8Å; L38-Y71 HydrophobicContact CD1-CE1 3.64Å; L38-Y71 HydrophobicContact CD2-CD1 3.91Å; L38-Y71 HydrophobicContact CD2-CE1 3.55Å; L38-Y71 HydrophobicContact CG-CD1 3.89Å; L38-Y71 HydrophobicContact CG-CE1 3.42Å; L38-Y71 VanDerWaalsContact CG-CE1 3.42Å
39P85.3Confident84.3Confident100 Ų10067.1 Ų67.165%0.64938%0.38SS*.  trans-70.593.6-175.227.6-34.3000110Y71P39-Y71 WeakPolarHBondContact O-CD1 3.46Å
40C90.1Very high84.5Confident31 Ų3168.5 Ų68.521%0.20939%0.387CS..  trans-80.9131.3176.8-55.90000110.3L38 G44 C61L38-C40 PolarHBondContact O-N 3.3Å; L38-C40 PolarHBondContact O-SG 2.8Å; C40-G44 VanDerWaalsContact CB-C 3.44Å; C40-G44 WeakPolarHBondContact CB-O 3.33Å; C40-C61 WeakPolarHBondContact CA-SG 3.25Å; C40-C61 HydrophobicContact CB-CB 3.72Å; C40-C61 WeakPolarHBondContact CB-SG 3.29Å; C40-C61 WeakPolarHBondContact SG-CA 3.33Å; C40-C61 WeakPolarHBondContact SG-CB 3.13Å; C40-C61 CovalentContact SG-SG 2.03Å; C40-C61 PolarHBondContact SG-SG 2.87Å
41L89.9Confident84.5Confident90 Ų9065.7 Ų65.747%0.47137%0.371SS..  trans-90.8165.6-179.3-64.8153.2000110.6G43 G44 Y71 C72 Q73L41-G43 PolarHBondContact O-N 3.45Å; L41-G44 PolarHBondContact O-N 3.02Å; L41-Y71 WeakPolarHBondContact CB-O 3.33Å; L41-Y71 PolarHBondContact N-O 3.36Å; L41-C72 WeakPolarHBondContact O-CB 3.26Å; L41-Q73 HydrophobicContact CD1-CB 3.82Å
42N89.6Confident84.2Confident78 Ų7871.2 Ų71.242%0.41740%0.399SS..THydrogen-bonded Turntrans54.231.6168.6-57.1-40.7000115.9Y67 C72N42-Y67 HydrophobicContact CB-CD1 3.6Å; N42-Y67 HydrophobicContact CB-CD2 4.05Å; N42-Y67 HydrophobicContact CB-CE1 3.49Å; N42-Y67 VanDerWaalsContact CB-CE1 3.49Å; N42-Y67 HydrophobicContact CB-CE2 3.95Å; N42-Y67 HydrophobicContact CB-CG 3.88Å; N42-Y67 VanDerWaalsContact ND2-CD1 3.35Å; N42-Y67 WeakPolarHBondContact ND2-CD1 3.36Å; N42-Y67 VanDerWaalsContact ND2-CE1 3.31Å; N42-Y67 WeakPolarHBondContact ND2-CE1 3.25Å; N42-C72 PolarHBondContact ND2-O 3.35Å
43G85.1Confident83.8Confident60 Ų6073.5 Ų73.562%0.61941%0.411SS*.THydrogen-bonded Turntrans84.910.6-179.900000114.5L41L41-G43 PolarHBondContact O-N 3.45Å
44G89.2Confident83.2Confident13 Ų1375.8 Ų75.813%0.13442%0.421CS..  trans-62.6148.1169.700000112C40 L41 K62C40-G44 VanDerWaalsContact CB-C 3.44Å; C40-G44 WeakPolarHBondContact CB-O 3.33Å; L41-G44 PolarHBondContact O-N 3.02Å; G44-K62 VanDerWaalsContact CA-O 3.29Å; G44-K62 WeakPolarHBondContact CA-O 3.29Å
45I90.2Very high83Confident89 Ų8972.4 Ų72.446%0.45641%0.413SS..EExtended strand (participates in β ladder)trans-115.4137.217734.7158.4000110.1L32 A47 K62L32-I45 HydrophobicContact CD2-CD1 4.15Å; I45-A47 PolarHBondContact O-N 3.12Å; I45-K62 HydrophobicContact CD1-CD 4.2Å; I45-K62 HydrophobicContact CG1-CB 4.14Å; I45-K62 HydrophobicContact CG1-CG 4.5Å; I45-K62 PolarHBondContact N-O 2.95Å; I45-K62 PolarHBondContact O-N 3.43Å
46C91.5Very high83.7Confident17 Ų1773.1 Ų73.112%0.11541%0.411CS..EExtended strand (participates in β ladder)trans-70.5121.3176-173.90000109.7C33C33-C46 HydrophobicContact CB-CB 3.68Å; C33-C46 WeakPolarHBondContact CB-SG 3.41Å; C33-C46 PolarHBondContact N-O 2.82Å; C33-C46 VanDerWaalsContact N-O 3.1Å; C33-C46 WeakPolarHBondContact SG-CB 3.36Å; C33-C46 PolarHBondContact SG-O 3.38Å; C33-C46 VanDerWaalsContact SG-O 3.41Å; C33-C46 CovalentContact SG-SG 2.04Å; C33-C46 PolarHBondContact SG-SG 2.98Å
47A91.1Very high84.7Confident0 Ų066 Ų660%038%0.382CS..EExtended strand (participates in β ladder)trans-12915517700000111.4G29 V31 I45 Y49 R60 K62G29-A47 WeakPolarHBondContact O-CB 3.42Å; V31-A47 CarbonylContact O-C 3.55Å; V31-A47 VanDerWaalsContact O-CA 3.28Å; V31-A47 WeakPolarHBondContact O-CA 3.45Å; I45-A47 PolarHBondContact O-N 3.12Å; A47-Y49 HydrophobicContact CB-CE2 3.93Å; A47-R60 PolarHBondContact N-O 3.43Å; A47-R60 PolarHBondContact O-N 3.01Å; A47-K62 HydrophobicContact CB-CB 4.28Å
48L89.2Confident85.7Confident32 Ų3266.3 Ų66.317%0.16837%0.373CS..EExtended strand (participates in β ladder)trans-93.5123.4176.7-64.6169.8000109.9C25 V31 C57 I58 K59C25-L48 HydrophobicContact CB-CB 3.7Å; V31-L48 HydrophobicContact CB-CB 4.39Å; V31-L48 HydrophobicContact CG1-CD1 3.98Å; V31-L48 PolarHBondContact O-N 2.75Å; L48-C57 HydrophobicContact CB-CB 4.42Å; L48-C57 HydrophobicContact CD2-CB 4.32Å; L48-I58 WeakPolarHBondContact CA-O 3.38Å; L48-K59 HydrophobicContact CD2-CG 3.67Å
49Y88.6Confident86.2Confident43 Ų4368.6 Ų68.617%0.16938%0.381CS..EExtended strand (participates in β ladder)trans-109.3148.9175.7-70.5-96.4000110.4D26 A47 C57 I58 R60D26-Y49 VanDerWaalsContact O-CA 3.31Å; D26-Y49 WeakPolarHBondContact O-CA 3.28Å; A47-Y49 HydrophobicContact CB-CE2 3.93Å; Y49-C57 CarbonylContact O-C 3.58Å; Y49-C57 WeakPolarHBondContact O-CA 3.38Å; Y49-I58 PolarHBondContact N-O 3.24Å; Y49-I58 VanDerWaalsContact O-CG1 3.29Å; Y49-I58 WeakPolarHBondContact O-CG1 3.41Å; Y49-I58 PolarHBondContact O-N 2.86Å; Y49-R60 HydrophobicContact CD2-CB 3.67Å; Y49-R60 HydrophobicContact CD2-CG 4.29Å; Y49-R60 HydrophobicContact CE2-CB 3.91Å
50V87.4Confident86.4Confident30 Ų3069.3 Ų69.318%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-72.4130167.3-1790000108.4C25 D26C25-V50 HydrophobicContact CB-CG2 4.38Å; D26-V50 PolarHBondContact O-N 3.37Å
51S84.6Confident86.5Confident23 Ų2368.4 Ų68.416%0.16137%0.365CS..  trans-75.2142174.2174.30000110.6I53 D54 K56S51-I53 VanDerWaalsContact C-N 3.26Å; S51-I53 PolarHBondContact O-N 2.77Å; S51-D54 VanDerWaalsContact CB-O 3.24Å; S51-D54 WeakPolarHBondContact CB-O 3.43Å; S51-K56 PolarHBondContact N-O 3.25Å; S51-K56 VanDerWaalsContact N-O 3.08Å
52D80.8Confident86.5Confident155 Ų15567.8 Ų67.883%0.82936%0.358SS*.SBendtrans-72.4-21.8-178-59-51.6000112.7
53I79.8Confident86.6Confident156 Ų15665.8 Ų65.880%0.835%0.35SS*.SBendtrans-101.9-40.1-172.4-55.7173000111.6S51S51-I53 VanDerWaalsContact C-N 3.26Å; S51-I53 PolarHBondContact O-N 2.77Å
54D75.3Confident86.8Confident73 Ų7365.9 Ų65.939%0.3934%0.339SS..SBendtrans-120.5136-177.4-75.8-21.2000107.1S51 K56S51-D54 VanDerWaalsContact CB-O 3.24Å; S51-D54 WeakPolarHBondContact CB-O 3.43Å; D54-K56 HydrophobicContact CB-CB 4.17Å; D54-K56 HydrophobicContact CB-CD 3.88Å; D54-K56 HydrophobicContact CB-CG 3.96Å; D54-K56 PolarHBondContact O-N 3.42Å; D54-K56 IonicContact OD2-NZ 3.91Å; D54-K56 PolarHBondContact OD2-NZ 2.93Å
55D76.6Confident86.7Confident129 Ų12973.2 Ų73.269%0.6938%0.375SS*.SBendtrans-69.753.1171.1-67-44000111.6I23I23-D55 HydrophobicContact CD1-CB 4.49Å
56K83.5Confident86.6Confident126 Ų12673.2 Ų73.255%0.54838%0.376SS..SBendtrans-124.1146.7-177.5-65.7174.6-166.1151.40109.2S51 D54 I58S51-K56 PolarHBondContact N-O 3.25Å; S51-K56 VanDerWaalsContact N-O 3.08Å; D54-K56 HydrophobicContact CB-CB 4.17Å; D54-K56 HydrophobicContact CB-CD 3.88Å; D54-K56 HydrophobicContact CB-CG 3.96Å; D54-K56 PolarHBondContact O-N 3.42Å; D54-K56 IonicContact OD2-NZ 3.91Å; D54-K56 PolarHBondContact OD2-NZ 2.93Å; K56-I58 PolarHBondContact O-N 3.3Å
57C86.6Confident86.6Confident47 Ų4775.5 Ų75.532%0.31838%0.382SS..EExtended strand (participates in β ladder)trans-77.7121.4172.5-57.30000110.8I23 C25 L48 Y49I23-C57 PolarHBondContact O-SG 3.4Å; C25-C57 HydrophobicContact CB-CB 3.71Å; C25-C57 WeakPolarHBondContact CB-SG 3.42Å; C25-C57 WeakPolarHBondContact SG-CA 3.23Å; C25-C57 WeakPolarHBondContact SG-CB 3.35Å; C25-C57 CovalentContact SG-SG 2.04Å; C25-C57 PolarHBondContact SG-SG 2.87Å; L48-C57 HydrophobicContact CB-CB 4.42Å; L48-C57 HydrophobicContact CD2-CB 4.32Å; Y49-C57 CarbonylContact O-C 3.58Å; Y49-C57 WeakPolarHBondContact O-CA 3.38Å
58I88.2Confident86.3Confident46 Ų4678.8 Ų78.824%0.23640%0.399CS..EExtended strand (participates in β ladder)trans-104.1140.3173.255.1171.2000110.1L48 Y49 K56 R60L48-I58 WeakPolarHBondContact CA-O 3.38Å; Y49-I58 PolarHBondContact N-O 3.24Å; Y49-I58 VanDerWaalsContact O-CG1 3.29Å; Y49-I58 WeakPolarHBondContact O-CG1 3.41Å; Y49-I58 PolarHBondContact O-N 2.86Å; K56-I58 PolarHBondContact O-N 3.3Å; I58-R60 HydrophobicContact CD1-CG 4.43Å; I58-R60 VanDerWaalsContact CD1-NE 3.32Å
59K88.6Confident86.2Confident102 Ų10278.9 Ų78.944%0.44341%0.408SS..EExtended strand (participates in β ladder)trans-82.8125.4176-62.7178.8-178.5-1740108.8L48L48-K59 HydrophobicContact CD2-CG 3.67Å
60R89.3Confident86.2Confident116 Ų11682.4 Ų82.444%0.43843%0.43SS..EExtended strand (participates in β ladder)trans-139158.9171.6-63-176171.5166.81.9110.3A47 Y49 I58A47-R60 PolarHBondContact N-O 3.43Å; A47-R60 PolarHBondContact O-N 3.01Å; Y49-R60 HydrophobicContact CD2-CB 3.67Å; Y49-R60 HydrophobicContact CD2-CG 4.29Å; Y49-R60 HydrophobicContact CE2-CB 3.91Å; I58-R60 HydrophobicContact CD1-CG 4.43Å; I58-R60 VanDerWaalsContact CD1-NE 3.32Å
61C91.4Very high86.3Confident11 Ų1185.4 Ų85.47%0.07444%0.438CS..EExtended strand (participates in β ladder)trans-82.9129.6173.8-66.20000110.7C40 D70C40-C61 WeakPolarHBondContact CA-SG 3.25Å; C40-C61 HydrophobicContact CB-CB 3.72Å; C40-C61 WeakPolarHBondContact CB-SG 3.29Å; C40-C61 WeakPolarHBondContact SG-CA 3.33Å; C40-C61 WeakPolarHBondContact SG-CB 3.13Å; C40-C61 CovalentContact SG-SG 2.03Å; C40-C61 PolarHBondContact SG-SG 2.87Å; C61-D70 VanDerWaalsContact CB-O 3.31Å; C61-D70 WeakPolarHBondContact CB-O 3.31Å
62K90.6Very high86.6Confident77 Ų7784.3 Ų84.334%0.33543%0.431SS..EExtended strand (participates in β ladder)trans-90.4111.1168.6176.8172.7-176.7165.10108.7K28 G44 I45 A47K28-K62 PolarHBondContact O-NZ 3.24Å; G44-K62 VanDerWaalsContact CA-O 3.29Å; G44-K62 WeakPolarHBondContact CA-O 3.29Å; I45-K62 HydrophobicContact CD1-CD 4.2Å; I45-K62 HydrophobicContact CG1-CB 4.14Å; I45-K62 HydrophobicContact CG1-CG 4.5Å; I45-K62 PolarHBondContact N-O 2.95Å; I45-K62 PolarHBondContact O-N 3.43Å; A47-K62 HydrophobicContact CB-CB 4.28Å
63C91Very high87Confident37 Ų3780.9 Ų80.925%0.2541%0.41CS..  trans-84.8156.9-177.6-49.40000111.9Y67 C72C63-Y67 WeakPolarHBondContact CB-O 3.34Å; C63-C72 WeakPolarHBondContact CA-SG 3.31Å; C63-C72 HydrophobicContact CB-CB 3.71Å; C63-C72 WeakPolarHBondContact CB-SG 3.35Å; C63-C72 PolarHBondContact N-SG 3.33Å; C63-C72 WeakPolarHBondContact SG-CA 3.22Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.03Å; C63-C72 PolarHBondContact SG-SG 3.24Å
64T89.6Confident87.3Confident62 Ų6279.1 Ų79.138%0.3840%0.397SS..  trans-72.5159.8164.149.40000109.8D66 Y67T64-D66 PolarHBondContact O-N 3.47Å; T64-Y67 PolarHBondContact O-N 3.33Å; T64-Y67 VanDerWaalsContact O-O 3.12Å; T64-Y67 WeakPolarHBondContact OG1-CD2 3.34Å
65D87.8Confident87.9Confident166 Ų16680.1 Ų80.189%0.88840%0.396SS*.THydrogen-bonded Turntrans-58-20-174.9-62.1-34.5000113.7
66D87.8Confident88.2Confident89 Ų8975.1 Ų75.148%0.47637%0.373SS..THydrogen-bonded Turntrans-82.2-11.2178.2-68.8-44.6000114.2T64 Y75 A76T64-D66 PolarHBondContact O-N 3.47Å; D66-Y75 HydrophobicContact CB-CD2 4.21Å; D66-Y75 HydrophobicContact CB-CE2 3.79Å; D66-Y75 CarbonylContact O-C 3.45Å; D66-Y75 WeakPolarHBondContact O-CA 3.34Å; D66-Y75 WeakPolarHBondContact O-CD2 3.18Å; D66-A76 WeakPolarHBondContact O-CB 3.37Å; D66-A76 PolarHBondContact O-N 3.27Å
67Y90.3Very high87.9Confident65 Ų6570.5 Ų70.526%0.25536%0.361SS..EExtended strand (participates in β ladder)trans-131.9146.6-172.8-64.6-92.9000113.1N42 C63 T64 F74 Y75N42-Y67 HydrophobicContact CB-CD1 3.6Å; N42-Y67 HydrophobicContact CB-CD2 4.05Å; N42-Y67 HydrophobicContact CB-CE1 3.49Å; N42-Y67 VanDerWaalsContact CB-CE1 3.49Å; N42-Y67 HydrophobicContact CB-CE2 3.95Å; N42-Y67 HydrophobicContact CB-CG 3.88Å; N42-Y67 VanDerWaalsContact ND2-CD1 3.35Å; N42-Y67 WeakPolarHBondContact ND2-CD1 3.36Å; N42-Y67 VanDerWaalsContact ND2-CE1 3.31Å; N42-Y67 WeakPolarHBondContact ND2-CE1 3.25Å; C63-Y67 WeakPolarHBondContact CB-O 3.34Å; T64-Y67 PolarHBondContact O-N 3.33Å; T64-Y67 VanDerWaalsContact O-O 3.12Å; T64-Y67 WeakPolarHBondContact OG1-CD2 3.34Å; Y67-F74 CarbonylContact C-O 3.55Å; Y67-F74 WeakPolarHBondContact CA-O 3.45Å; Y67-Y75 HydrophobicContact CD1-CD2 4.25Å; Y67-Y75 AromaticContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CG 4.45Å; Y67-Y75 HydrophobicContact CE2-CD2 4.17Å; Y67-Y75 AromaticContact CZ-CD2 3.8Å
68I86Confident87.3Confident69 Ų6975.1 Ų75.135%0.35438%0.376SS..EExtended strand (participates in β ladder)trans-133.6165.4-17962.9180000111.3C72 Q73 F74 A76 Y79I68-C72 CarbonylContact O-C 3.51Å; I68-Q73 PolarHBondContact O-N 2.91Å; I68-F74 HydrophobicContact CG1-CB 3.75Å; I68-F74 PolarHBondContact N-O 3.06Å; I68-F74 WeakPolarHBondContact O-CB 3.43Å; I68-F74 PolarHBondContact O-N 2.92Å; I68-A76 HydrophobicContact CG2-CB 4.03Å; I68-Y79 HydrophobicContact CD1-CG 4.3Å
69G86.5Confident86.5Confident34 Ų3479.9 Ų79.935%0.35139%0.391SS..SBendtrans104.1164.9-179.600000113.2Y71 C72G69-Y71 PolarHBondContact O-N 2.85Å; G69-Y71 VanDerWaalsContact O-N 3.13Å; G69-C72 PolarHBondContact O-N 2.79Å
70D88.2Confident85.9Confident117 Ų11779 Ų7963%0.62640%0.398SS*.THydrogen-bonded Turntrans-58.6-29.8-173.8-63.9-32.8000113.7C61C61-D70 VanDerWaalsContact CB-O 3.31Å; C61-D70 WeakPolarHBondContact CB-O 3.31Å
71Y89.6Confident85.2Confident93 Ų9375.9 Ų75.937%0.36540%0.397SS..THydrogen-bonded Turntrans-116.815.3178-54.9-95.3000113.1L38 P39 L41 G69 Q73L38-Y71 HydrophobicContact CD1-CE1 3.64Å; L38-Y71 HydrophobicContact CD2-CD1 3.91Å; L38-Y71 HydrophobicContact CD2-CE1 3.55Å; L38-Y71 HydrophobicContact CG-CD1 3.89Å; L38-Y71 HydrophobicContact CG-CE1 3.42Å; L38-Y71 VanDerWaalsContact CG-CE1 3.42Å; P39-Y71 WeakPolarHBondContact O-CD1 3.46Å; L41-Y71 WeakPolarHBondContact CB-O 3.33Å; L41-Y71 PolarHBondContact N-O 3.36Å; G69-Y71 PolarHBondContact O-N 2.85Å; G69-Y71 VanDerWaalsContact O-N 3.13Å; Y71-Q73 PolarHBondContact O-N 2.86Å
72C91Very high84.8Confident1 Ų178.7 Ų78.71%0.00741%0.414CS..SBendtrans60.729.9-176-45.40000114.3L41 N42 C63 I68 G69L41-C72 WeakPolarHBondContact O-CB 3.26Å; N42-C72 PolarHBondContact ND2-O 3.35Å; C63-C72 WeakPolarHBondContact CA-SG 3.31Å; C63-C72 HydrophobicContact CB-CB 3.71Å; C63-C72 WeakPolarHBondContact CB-SG 3.35Å; C63-C72 PolarHBondContact N-SG 3.33Å; C63-C72 WeakPolarHBondContact SG-CA 3.22Å; C63-C72 WeakPolarHBondContact SG-CB 3.36Å; C63-C72 CovalentContact SG-SG 2.03Å; C63-C72 PolarHBondContact SG-SG 3.24Å; I68-C72 CarbonylContact O-C 3.51Å; G69-C72 PolarHBondContact O-N 2.79Å
73Q89.6Confident84.4Confident82 Ų8278.5 Ų78.538%0.38342%0.416SS..  trans-77.6-21.6-174.167.3-131.252.400114.2L41 I68 Y71L41-Q73 HydrophobicContact CD1-CB 3.82Å; I68-Q73 PolarHBondContact O-N 2.91Å; Y71-Q73 PolarHBondContact O-N 2.86Å
74F86.8Confident84.1Confident120 Ų12078.9 Ų78.953%0.52643%0.427SS..EExtended strand (participates in β ladder)trans-105.7133.9-174-55-66.4000110.2Y67 I68Y67-F74 CarbonylContact C-O 3.55Å; Y67-F74 WeakPolarHBondContact CA-O 3.45Å; I68-F74 HydrophobicContact CG1-CB 3.75Å; I68-F74 PolarHBondContact N-O 3.06Å; I68-F74 WeakPolarHBondContact O-CB 3.43Å; I68-F74 PolarHBondContact O-N 2.92Å
75Y87Confident84Confident93 Ų9382.2 Ų82.237%0.36544%0.441SS..EExtended strand (participates in β ladder)trans-82.1122.1174.1-179.7-101.5000110.2D66 Y67 G77 F78D66-Y75 HydrophobicContact CB-CD2 4.21Å; D66-Y75 HydrophobicContact CB-CE2 3.79Å; D66-Y75 CarbonylContact O-C 3.45Å; D66-Y75 WeakPolarHBondContact O-CA 3.34Å; D66-Y75 WeakPolarHBondContact O-CD2 3.18Å; Y67-Y75 HydrophobicContact CD1-CD2 4.25Å; Y67-Y75 AromaticContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CD2 3.83Å; Y67-Y75 HydrophobicContact CE1-CG 4.45Å; Y67-Y75 HydrophobicContact CE2-CD2 4.17Å; Y67-Y75 AromaticContact CZ-CD2 3.8Å; Y75-G77 VanDerWaalsContact C-N 3.28Å; Y75-G77 PolarHBondContact O-N 3.49Å; Y75-F78 HydrophobicContact CD1-CB 4.47Å; Y75-F78 AromaticContact CD1-CD2 3.39Å; Y75-F78 HydrophobicContact CD1-CD2 3.39Å; Y75-F78 AromaticContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CG 4.08Å; Y75-F78 HydrophobicContact CE1-CD2 4.3Å; Y75-F78 HydrophobicContact CE1-CE2 4.38Å; Y75-F78 HydrophobicContact CG-CD2 4.07Å; Y75-F78 HydrophobicContact CG-CE2 4.38Å; Y75-F78 PolarHBondContact O-N 3.31Å
76A82.1Confident84.1Confident25 Ų2579.1 Ų79.121%0.20743%0.428CS..Hα-helixtrans-61.1-35.3-17500000112.6D66 I68 F78 Y79 S80D66-A76 WeakPolarHBondContact O-CB 3.37Å; D66-A76 PolarHBondContact O-N 3.27Å; I68-A76 HydrophobicContact CG2-CB 4.03Å; A76-F78 VanDerWaalsContact C-N 3.26Å; A76-F78 PolarHBondContact O-N 2.95Å; A76-Y79 WeakPolarHBondContact O-CB 3.47Å; A76-Y79 PolarHBondContact O-N 2.86Å; A76-S80 PolarHBondContact O-N 3.48Å
77G78Confident84.3Confident29 Ų2978.7 Ų78.730%0.29943%0.429SS..Hα-helixtrans-64.5-26.6-179.100000114Y75 S80 A81Y75-G77 VanDerWaalsContact C-N 3.28Å; Y75-G77 PolarHBondContact O-N 3.49Å; G77-S80 PolarHBondContact O-OG 3.36Å; G77-S80 VanDerWaalsContact O-OG 3.08Å; G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 2.95Å
78F73.7Confident84.4Confident144 Ų14477.2 Ų77.263%0.63243%0.433SS*.Hα-helixtrans-77.5-30.4173.8-74.6-62.3000112Y75 A76 A81 T82Y75-F78 HydrophobicContact CD1-CB 4.47Å; Y75-F78 AromaticContact CD1-CD2 3.39Å; Y75-F78 HydrophobicContact CD1-CD2 3.39Å; Y75-F78 AromaticContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CE2 3.73Å; Y75-F78 HydrophobicContact CD1-CG 4.08Å; Y75-F78 HydrophobicContact CE1-CD2 4.3Å; Y75-F78 HydrophobicContact CE1-CE2 4.38Å; Y75-F78 HydrophobicContact CG-CD2 4.07Å; Y75-F78 HydrophobicContact CG-CE2 4.38Å; Y75-F78 PolarHBondContact O-N 3.31Å; A76-F78 VanDerWaalsContact C-N 3.26Å; A76-F78 PolarHBondContact O-N 2.95Å; F78-A81 PolarHBondContact O-N 3.43Å; F78-T82 WeakPolarHBondContact O-CB 2.97Å; F78-T82 VanDerWaalsContact O-CG2 3.25Å; F78-T82 WeakPolarHBondContact O-CG2 3.29Å; F78-T82 PolarHBondContact O-N 3.44Å; F78-T82 PolarHBondContact O-OG1 3.28Å
79Y72.6Confident84.8Confident145 Ų14579.2 Ų79.257%0.56944%0.444SS*.Hα-helixtrans-67.7-43.6-179.9-165.2-107.7000110.9I68 A76 T82 I83I68-Y79 HydrophobicContact CD1-CG 4.3Å; A76-Y79 WeakPolarHBondContact O-CB 3.47Å; A76-Y79 PolarHBondContact O-N 2.86Å; Y79-T82 PolarHBondContact O-OG1 3.02Å; Y79-I83 HydrophobicContact CD1-CD1 3.41Å; Y79-I83 VanDerWaalsContact CD1-CD1 3.41Å; Y79-I83 HydrophobicContact CD2-CD1 4.25Å; Y79-I83 HydrophobicContact CE1-CD1 3.09Å; Y79-I83 HydrophobicContact CE1-CG1 4.38Å; Y79-I83 HydrophobicContact CE2-CD1 3.98Å; Y79-I83 HydrophobicContact CG-CD1 4Å; Y79-I83 WeakPolarHBondContact O-CB 3.2Å; Y79-I83 WeakPolarHBondContact O-CG1 3.4Å; Y79-I83 PolarHBondContact O-N 3.47Å
80S74.8Confident85.2Confident84 Ų8483.7 Ų83.759%0.58745%0.454SS*.Hα-helixtrans-65.3-41.7175.5580000112.3A76 G77 G84A76-S80 PolarHBondContact O-N 3.48Å; G77-S80 PolarHBondContact O-OG 3.36Å; G77-S80 VanDerWaalsContact O-OG 3.08Å; S80-G84 PolarHBondContact O-N 2.73Å
81A75.1Confident85.5Confident50 Ų5081.5 Ų81.541%0.41345%0.445SS..Hα-helixtrans-66.4-45.4178.400000112.6G77 F78 G84 L85G77-A81 WeakPolarHBondContact O-CB 3.43Å; G77-A81 PolarHBondContact O-N 2.95Å; F78-A81 PolarHBondContact O-N 3.43Å; A81-G84 PolarHBondContact O-N 3.49Å; A81-L85 WeakPolarHBondContact O-CG 3.22Å; A81-L85 PolarHBondContact O-N 2.94Å
82T82.3Confident85.8Confident71 Ų7180.8 Ų80.844%0.43645%0.45SS..Hα-helixtrans-68.4-42.5-178.651.50000111.5F78 Y79 G84 L85 V86F78-T82 WeakPolarHBondContact O-CB 2.97Å; F78-T82 VanDerWaalsContact O-CG2 3.25Å; F78-T82 WeakPolarHBondContact O-CG2 3.29Å; F78-T82 PolarHBondContact O-N 3.44Å; F78-T82 PolarHBondContact O-OG1 3.28Å; Y79-T82 PolarHBondContact O-OG1 3.02Å; T82-G84 VanDerWaalsContact C-N 3.34Å; T82-G84 PolarHBondContact O-N 3.27Å; T82-L85 PolarHBondContact O-N 3.48Å; T82-V86 VanDerWaalsContact O-CG2 3.29Å; T82-V86 WeakPolarHBondContact O-CG2 3.21Å; T82-V86 PolarHBondContact O-N 2.97Å
83I82.4Confident86Confident72 Ų7285.7 Ų85.737%0.36948%0.476SS..Hα-helixtrans-61.5-44.5174.8-69.2172.3000110.7Y79 L85 V86 V87Y79-I83 HydrophobicContact CD1-CD1 3.41Å; Y79-I83 VanDerWaalsContact CD1-CD1 3.41Å; Y79-I83 HydrophobicContact CD2-CD1 4.25Å; Y79-I83 HydrophobicContact CE1-CD1 3.09Å; Y79-I83 HydrophobicContact CE1-CG1 4.38Å; Y79-I83 HydrophobicContact CE2-CD1 3.98Å; Y79-I83 HydrophobicContact CG-CD1 4Å; Y79-I83 WeakPolarHBondContact O-CB 3.2Å; Y79-I83 WeakPolarHBondContact O-CG1 3.4Å; Y79-I83 PolarHBondContact O-N 3.47Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.34Å; I83-V86 PolarHBondContact O-N 3.47Å; I83-V87 HydrophobicContact CG2-CG2 4Å; I83-V87 WeakPolarHBondContact O-CB 3.5Å; I83-V87 VanDerWaalsContact O-CG2 3.25Å; I83-V87 WeakPolarHBondContact O-CG2 3.17Å; I83-V87 PolarHBondContact O-N 3.19Å
84G85.3Confident86.4Confident46 Ų4685.9 Ų85.947%0.47448%0.479SS..Hα-helixtrans-57-42.1176.700000112.5S80 A81 T82 G88S80-G84 PolarHBondContact O-N 2.73Å; A81-G84 PolarHBondContact O-N 3.49Å; T82-G84 VanDerWaalsContact C-N 3.34Å; T82-G84 PolarHBondContact O-N 3.27Å; G84-G88 PolarHBondContact O-N 2.73Å
85L87.3Confident86.8Confident131 Ų13185.3 Ų85.369%0.68648%0.48SS*.Hα-helixtrans-69.2-44.3177.1-71.3176.6000112.8A81 T82 I83 G88 L89A81-L85 WeakPolarHBondContact O-CG 3.22Å; A81-L85 PolarHBondContact O-N 2.94Å; T82-L85 PolarHBondContact O-N 3.48Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 3.34Å; L85-G88 PolarHBondContact O-N 3.03Å; L85-L89 VanDerWaalsContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CB 3.33Å; L85-L89 PolarHBondContact O-N 3.45Å
86V90.9Very high87.3Confident102 Ų10285.3 Ų85.362%0.61849%0.486SS*.Hα-helixtrans-63.6-47.4179.8172.90000110.4T82 I83 F90T82-V86 VanDerWaalsContact O-CG2 3.29Å; T82-V86 WeakPolarHBondContact O-CG2 3.21Å; T82-V86 PolarHBondContact O-N 2.97Å; I83-V86 PolarHBondContact O-N 3.47Å; V86-F90 WeakPolarHBondContact O-CB 3.32Å; V86-F90 PolarHBondContact O-N 3.03Å
87V91.1Very high87.9Confident80 Ų8088.9 Ų88.949%0.48550%0.501SS..Hα-helixtrans-65.6-44.3177.8176.50000110.6I83 L89 F90 V91I83-V87 HydrophobicContact CG2-CG2 4Å; I83-V87 WeakPolarHBondContact O-CB 3.5Å; I83-V87 VanDerWaalsContact O-CG2 3.25Å; I83-V87 WeakPolarHBondContact O-CG2 3.17Å; I83-V87 PolarHBondContact O-N 3.19Å; V87-L89 PolarHBondContact O-N 3.46Å; V87-F90 PolarHBondContact O-N 3.28Å; V87-V91 HydrophobicContact CG1-CG2 4.37Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.01Å; V87-V91 PolarHBondContact O-N 3.34Å
88G91.5Very high88.8Confident34 Ų3493.5 Ų93.535%0.35151%0.513SS..Hα-helixtrans-62.1-42.6178.200000113.2G84 L85 T92G84-G88 PolarHBondContact O-N 2.73Å; L85-G88 PolarHBondContact O-N 3.03Å; G88-T92 WeakPolarHBondContact O-CB 3.31Å; G88-T92 PolarHBondContact O-N 3.24Å; G88-T92 PolarHBondContact O-OG1 2.88Å
89L94.4Very high89.8Confident110 Ų11088.7 Ų88.758%0.57650%0.499SS*.Hα-helixtrans-63-45.8174.6-175.7154.9000110.7L85 V87 V91 T92 L93L85-L89 VanDerWaalsContact O-CB 3.23Å; L85-L89 WeakPolarHBondContact O-CB 3.33Å; L85-L89 PolarHBondContact O-N 3.45Å; V87-L89 PolarHBondContact O-N 3.46Å; L89-V91 PolarHBondContact O-N 2.91Å; L89-T92 PolarHBondContact O-N 2.88Å; L89-L93 HydrophobicContact CD2-CD1 3.55Å; L89-L93 HydrophobicContact CD2-CG 4.05Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.98Å
90F95.3Very high90.8Very high128 Ų12885.9 Ų85.956%0.56150%0.498SS*.Hα-helixtrans-60.1-47.7179.3-171.9-101.9000111.8V86 V87 T92 L93 L94V86-F90 WeakPolarHBondContact O-CB 3.32Å; V86-F90 PolarHBondContact O-N 3.03Å; V87-F90 PolarHBondContact O-N 3.28Å; F90-T92 PolarHBondContact O-N 2.92Å; F90-L93 PolarHBondContact O-N 2.87Å; F90-L94 HydrophobicContact CD1-CD1 3.92Å; F90-L94 HydrophobicContact CD1-CG 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.54Å; F90-L94 HydrophobicContact CE1-CG 4.22Å; F90-L94 HydrophobicContact CZ-CD1 4.18Å; F90-L94 WeakPolarHBondContact O-CG 3.49Å; F90-L94 PolarHBondContact O-N 3.36Å
91V95.6Very high91.8Very high72 Ų7285.9 Ų85.944%0.43649%0.49SS..Hα-helixtrans-62.1-42.3176.7173.60000111.4V87 L89 L93 L94 I95V87-V91 HydrophobicContact CG1-CG2 4.37Å; V87-V91 VanDerWaalsContact O-CG2 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.01Å; V87-V91 PolarHBondContact O-N 3.34Å; L89-V91 PolarHBondContact O-N 2.91Å; V91-L93 PolarHBondContact O-N 3.46Å; V91-L94 PolarHBondContact O-N 3.04Å; V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 2.97Å; V91-I95 PolarHBondContact O-N 3.02Å
92T95.2Very high92.7Very high78 Ų7887.4 Ų87.448%0.47949%0.491SS..Hα-helixtrans-62.9-42.9178.6-560000111.7G88 L89 F90 L94 I95 I96G88-T92 WeakPolarHBondContact O-CB 3.31Å; G88-T92 PolarHBondContact O-N 3.24Å; G88-T92 PolarHBondContact O-OG1 2.88Å; L89-T92 PolarHBondContact O-N 2.88Å; F90-T92 PolarHBondContact O-N 2.92Å; T92-L94 PolarHBondContact O-N 3.4Å; T92-I95 PolarHBondContact O-N 3.4Å; T92-I96 HydrophobicContact CG2-CD1 4.09Å; T92-I96 WeakPolarHBondContact O-CG1 2.99Å; T92-I96 PolarHBondContact O-N 3.27Å
93L95.7Very high93.3Very high103 Ų10389.2 Ų89.254%0.53950%0.496SS..Hα-helixtrans-62.8-40.9175.8-74.3-176.9000112.2L89 F90 V91 I95 I96 L97L89-L93 HydrophobicContact CD2-CD1 3.55Å; L89-L93 HydrophobicContact CD2-CG 4.05Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.98Å; F90-L93 PolarHBondContact O-N 2.87Å; V91-L93 PolarHBondContact O-N 3.46Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 3.28Å; L93-I96 PolarHBondContact O-N 3.27Å; L93-L97 WeakPolarHBondContact O-CB 3.2Å; L93-L97 PolarHBondContact O-N 3.08Å
94L96.1Very high93.8Very high87 Ų8794.4 Ų94.446%0.45551%0.512SS..Hα-helixtrans-62.2-40.7175.5-70.8-179.3000112.2F90 V91 T92 L97 F98F90-L94 HydrophobicContact CD1-CD1 3.92Å; F90-L94 HydrophobicContact CD1-CG 4.45Å; F90-L94 HydrophobicContact CE1-CD1 3.54Å; F90-L94 HydrophobicContact CE1-CG 4.22Å; F90-L94 HydrophobicContact CZ-CD1 4.18Å; F90-L94 WeakPolarHBondContact O-CG 3.49Å; F90-L94 PolarHBondContact O-N 3.36Å; V91-L94 PolarHBondContact O-N 3.04Å; T92-L94 PolarHBondContact O-N 3.4Å; L94-L97 PolarHBondContact O-N 2.74Å; L94-F98 WeakPolarHBondContact O-CB 3.34Å; L94-F98 PolarHBondContact O-N 3.33Å
95I96.3Very high94.1Very high107 Ų10799.2 Ų99.255%0.54952%0.517SS..Hα-helixtrans-64.4-44.4176.9-67.1166000111V91 T92 L93 F98 A99V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 2.97Å; V91-I95 PolarHBondContact O-N 3.02Å; T92-I95 PolarHBondContact O-N 3.4Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 3.28Å; I95-F98 PolarHBondContact O-N 3.06Å; I95-A99 WeakPolarHBondContact O-CB 3.12Å; I95-A99 PolarHBondContact O-N 3.28Å
96I96.3Very high94.2Very high93 Ų9396.8 Ų96.848%0.47751%0.509SS..Hα-helixtrans-62.2-45.7177.9-67.2166.6000110.3T92 L93 F98 A99 V100T92-I96 HydrophobicContact CG2-CD1 4.09Å; T92-I96 WeakPolarHBondContact O-CG1 2.99Å; T92-I96 PolarHBondContact O-N 3.27Å; L93-I96 PolarHBondContact O-N 3.27Å; I96-F98 VanDerWaalsContact C-N 3.32Å; I96-F98 PolarHBondContact O-N 3.32Å; I96-A99 PolarHBondContact O-N 3.21Å; I96-V100 HydrophobicContact CG2-CG2 4.48Å; I96-V100 WeakPolarHBondContact O-CG2 3.37Å; I96-V100 PolarHBondContact O-N 2.85Å
97L95.6Very high94Very high101 Ų10195 Ų9553%0.52950%0.501SS..Hα-helixtrans-57.5-46.8176.4-179.366.4000111.1L93 L94 V100 I101L93-L97 WeakPolarHBondContact O-CB 3.2Å; L93-L97 PolarHBondContact O-N 3.08Å; L94-L97 PolarHBondContact O-N 2.74Å; L97-V100 PolarHBondContact O-N 3.33Å; L97-I101 HydrophobicContact CD1-CD1 4.42Å; L97-I101 HydrophobicContact CG-CD1 4.09Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 2.9Å
98F96.1Very high93.5Very high126 Ų12693.5 Ų93.555%0.55349%0.494SS*.Hα-helixtrans-63.3-42.4177.8-173.7-106.3000112.3L94 I95 I96 V100 I101 L102L94-F98 WeakPolarHBondContact O-CB 3.34Å; L94-F98 PolarHBondContact O-N 3.33Å; I95-F98 PolarHBondContact O-N 3.06Å; I96-F98 VanDerWaalsContact C-N 3.32Å; I96-F98 PolarHBondContact O-N 3.32Å; F98-V100 PolarHBondContact O-N 3.42Å; F98-I101 PolarHBondContact O-N 3.01Å; F98-L102 HydrophobicContact CD1-CD1 3.78Å; F98-L102 HydrophobicContact CD1-CG 4.13Å; F98-L102 HydrophobicContact CE1-CD1 3.35Å; F98-L102 HydrophobicContact CE1-CD2 4.31Å; F98-L102 HydrophobicContact CE1-CG 3.83Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.09Å; F98-L102 HydrophobicContact CZ-CG 4.06Å; F98-L102 WeakPolarHBondContact O-CG 3.05Å; F98-L102 PolarHBondContact O-N 2.94Å
99A95Very high92.8Very high42 Ų4298.7 Ų98.735%0.34750%0.503SS..Hα-helixtrans-62-41.7176.200000112I95 I96 L102 I103I95-A99 WeakPolarHBondContact O-CB 3.12Å; I95-A99 PolarHBondContact O-N 3.28Å; I96-A99 PolarHBondContact O-N 3.21Å; A99-L102 PolarHBondContact O-N 3.06Å; A99-I103 WeakPolarHBondContact O-CB 3.49Å; A99-I103 VanDerWaalsContact O-CG1 3.24Å; A99-I103 WeakPolarHBondContact O-CG1 3.28Å; A99-I103 PolarHBondContact O-N 2.92Å
100V95.1Very high91.8Very high87 Ų8799.7 Ų99.753%0.52750%0.503SS..Hα-helixtrans-62-43.7174.8172.10000110.9I96 L97 F98 I103 W104I96-V100 HydrophobicContact CG2-CG2 4.48Å; I96-V100 WeakPolarHBondContact O-CG2 3.37Å; I96-V100 PolarHBondContact O-N 2.85Å; L97-V100 PolarHBondContact O-N 3.33Å; F98-V100 PolarHBondContact O-N 3.42Å; V100-I103 PolarHBondContact O-N 2.96Å; V100-W104 WeakPolarHBondContact O-CB 3.31Å; V100-W104 PolarHBondContact O-N 3.06Å
101I94.7Very high90.3Very high84 Ų84100.4 Ų100.443%0.43151%0.505SS..Hα-helixtrans-62-44.5175.9-66.9164.9000110.7L97 F98 W104 Y105L97-I101 HydrophobicContact CD1-CD1 4.42Å; L97-I101 HydrophobicContact CG-CD1 4.09Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.21Å; L97-I101 PolarHBondContact O-N 2.9Å; F98-I101 PolarHBondContact O-N 3.01Å; I101-W104 PolarHBondContact O-N 2.03Å; I101-Y105 VanDerWaalsContact O-CB 3.26Å; I101-Y105 WeakPolarHBondContact O-CB 3.22Å; I101-Y105 PolarHBondContact O-N 2.84Å
102L94.6Very high88.5Confident81 Ų81106.3 Ų106.342%0.42452%0.52SS..Hα-helixtrans-63.6-43.7177.6-74.7-176.2000112.3F98 A99 W104 Y105 C106F98-L102 HydrophobicContact CD1-CD1 3.78Å; F98-L102 HydrophobicContact CD1-CG 4.13Å; F98-L102 HydrophobicContact CE1-CD1 3.35Å; F98-L102 HydrophobicContact CE1-CD2 4.31Å; F98-L102 HydrophobicContact CE1-CG 3.83Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.09Å; F98-L102 HydrophobicContact CZ-CG 4.06Å; F98-L102 WeakPolarHBondContact O-CG 3.05Å; F98-L102 PolarHBondContact O-N 2.94Å; A99-L102 PolarHBondContact O-N 3.06Å; L102-W104 VanDerWaalsContact C-N 3.34Å; L102-Y105 PolarHBondContact O-N 3.32Å; L102-C106 VanDerWaalsContact O-CB 3.29Å; L102-C106 WeakPolarHBondContact O-CB 3.29Å; L102-C106 PolarHBondContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 2.75Å
103I93.8Very high86.7Confident109 Ų109110 Ų11056%0.55953%0.525SS*.Hα-helixtrans-62.1-46.1175.8-68.2164.2000109.5A99 V100 Y105 C106 C107A99-I103 WeakPolarHBondContact O-CB 3.49Å; A99-I103 VanDerWaalsContact O-CG1 3.24Å; A99-I103 WeakPolarHBondContact O-CG1 3.28Å; A99-I103 PolarHBondContact O-N 2.92Å; V100-I103 PolarHBondContact O-N 2.96Å; I103-Y105 VanDerWaalsContact C-N 3.34Å; I103-Y105 PolarHBondContact O-N 3.39Å; I103-C106 PolarHBondContact O-N 2.73Å; I103-C107 VanDerWaalsContact O-CB 3.29Å; I103-C107 WeakPolarHBondContact O-CB 3.18Å; I103-C107 PolarHBondContact O-N 3.47Å; I103-C107 PolarHBondContact O-SG 3.05Å
104W93Very high84.9Confident182 Ų182109 Ų10969%0.68952%0.518SS*.Hα-helixtrans-63.7-40.3178.4-175.239000112.2V100 I101 L102 S108V100-W104 WeakPolarHBondContact O-CB 3.31Å; V100-W104 PolarHBondContact O-N 3.06Å; I101-W104 PolarHBondContact O-N 2.03Å; L102-W104 VanDerWaalsContact C-N 3.34Å; W104-S108 PolarHBondContact NE1-OG 3.33Å; W104-S108 WeakPolarHBondContact O-CB 3.28Å; W104-S108 PolarHBondContact O-N 3.31Å; W104-S108 PolarHBondContact O-OG 3.29Å
105Y92.6Very high83Confident147 Ų147112.5 Ų112.558%0.57653%0.529SS*.Hα-helixtrans-62.7-46.8174.6-176.3-97.9000111.4I101 L102 I103 S108 R109I101-Y105 VanDerWaalsContact O-CB 3.26Å; I101-Y105 WeakPolarHBondContact O-CB 3.22Å; I101-Y105 PolarHBondContact O-N 2.84Å; L102-Y105 PolarHBondContact O-N 3.32Å; I103-Y105 VanDerWaalsContact C-N 3.34Å; I103-Y105 PolarHBondContact O-N 3.39Å; Y105-S108 PolarHBondContact O-N 2.83Å; Y105-R109 WeakPolarHBondContact O-CB 3.49Å; Y105-R109 PolarHBondContact O-N 2.94Å
106C89.6Confident81.1Confident79 Ų79114.1 Ų114.153%0.53453%0.534SS..Hα-helixtrans-62.6-47176.3-74.30000112.3L102 I103 R109 K110L102-C106 VanDerWaalsContact O-CB 3.29Å; L102-C106 WeakPolarHBondContact O-CB 3.29Å; L102-C106 PolarHBondContact O-N 3.13Å; L102-C106 PolarHBondContact O-SG 2.75Å; I103-C106 PolarHBondContact O-N 2.73Å; C106-R109 PolarHBondContact O-N 2.03Å; C106-K110 PolarHBondContact O-N 2.04Å
107C87.3Confident79.1Confident66 Ų66114.7 Ų114.745%0.44654%0.538SS..Hα-helixtrans-64.7-41.2177.1-71.50000111.9I103 R109 K110 K111I103-C107 VanDerWaalsContact O-CB 3.29Å; I103-C107 WeakPolarHBondContact O-CB 3.18Å; I103-C107 PolarHBondContact O-N 3.47Å; I103-C107 PolarHBondContact O-SG 3.05Å; C107-R109 VanDerWaalsContact C-N 3.35Å; C107-K110 PolarHBondContact O-N 3.41Å; C107-K111 WeakPolarHBondContact O-CG 3.37Å; C107-K111 PolarHBondContact O-N 3.1Å
108S79.6Confident77.2Confident47 Ų47118 Ų11833%0.32955%0.545SS..Hα-helixtrans-66.5-37.7177.4-64.90000111.7W104 Y105 R112W104-S108 PolarHBondContact NE1-OG 3.33Å; W104-S108 WeakPolarHBondContact O-CB 3.28Å; W104-S108 PolarHBondContact O-N 3.31Å; W104-S108 PolarHBondContact O-OG 3.29Å; Y105-S108 PolarHBondContact O-N 2.83Å; S108-R112 PolarHBondContact O-N 3Å
109R77.3Confident75.2Confident143 Ų143119.1 Ų119.154%0.5455%0.552SS.*Hα-helixtrans-68.4-39.3174.8-162.4178.3-174.2-174.53.2111.8Y105 C106 C107 R112Y105-R109 WeakPolarHBondContact O-CB 3.49Å; Y105-R109 PolarHBondContact O-N 2.94Å; C106-R109 PolarHBondContact O-N 2.03Å; C107-R109 VanDerWaalsContact C-N 3.35Å; R109-R112 PolarHBondContact O-N 2.81Å
110K73.8Confident73.1Confident132 Ų132120.3 Ų120.357%0.57456%0.562SS**Hα-helixtrans-64.4-42.6176.4-171.7179.5176.4-173.40112.1C106 C107 R112 R113 E114C106-K110 PolarHBondContact O-N 2.04Å; C107-K110 PolarHBondContact O-N 3.41Å; K110-R112 PolarHBondContact O-N 3.35Å; K110-R113 PolarHBondContact O-N 2.85Å; K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.4Å; K110-E114 IonicContact NZ-OE1 2.82Å; K110-E114 PolarHBondContact O-N 3.49Å
111K62.4Low71.1Confident143 Ų143124 Ų12462%0.62257%0.573SS**Hα-helixtrans-60.1-26.3176.7-76.5-175.7178.6-1770113.6C107 K115C107-K111 WeakPolarHBondContact O-CG 3.37Å; C107-K111 PolarHBondContact O-N 3.1Å; K111-K115 PolarHBondContact O-N 3.45Å
112R58.6Low69Low196 Ų196130.9 Ų130.974%0.7459%0.594SS**Hα-helixtrans-69-37.4172.9-67.3-173.4-177.2-165.11.1112.1S108 R109 K110S108-R112 PolarHBondContact O-N 3Å; R109-R112 PolarHBondContact O-N 2.81Å; K110-R112 PolarHBondContact O-N 3.35Å
113R56.9Low67Low155 Ų155130.7 Ų130.759%0.58559%0.593SS**Hα-helixtrans-76.1-29.1179.7-65.8-173.5175.6-177.4-1.6113.9K110 N117K110-R113 PolarHBondContact O-N 2.85Å; R113-N117 PolarHBondContact O-N 2.79Å; R113-N117 PolarHBondContact O-ND2 3.47Å
114E58.5Low65.1Low82 Ų82130.4 Ų130.438%0.38360%0.598SS.*Hα-helixtrans-71.6-37.8175.6-81.1172.3-174.600111.6K110 E116 N117 Y118K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.4Å; K110-E114 IonicContact NZ-OE1 2.82Å; K110-E114 PolarHBondContact O-N 3.49Å; E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 3.32Å; E114-N117 PolarHBondContact O-N 2.8Å; E114-Y118 HydrophobicContact CB-CD2 4.38Å; E114-Y118 HydrophobicContact CB-CE2 4.32Å; E114-Y118 WeakPolarHBondContact O-CD2 2.98Å; E114-Y118 PolarHBondContact O-N 3.44Å
115K56.2Low63.1Low161 Ų161127.6 Ų127.670%0.760%0.603SS**Hα-helixtrans-62.6-32.6174.9-69.7-176.9-179.8-1730112.8K111 Q119K111-K115 PolarHBondContact O-N 3.45Å; K115-Q119 PolarHBondContact O-N 2.86Å
116E56Low61Low141 Ų141129.7 Ų129.766%0.65961%0.61SS**Hα-helixtrans-72.2-32.7172.6-69.7174.3159.900112.5E114 A120E114-E116 VanDerWaalsContact C-N 3.26Å; E114-E116 PolarHBondContact O-N 3.32Å; E116-A120 PolarHBondContact O-N 3.46Å
117N55.6Low59Low105 Ų105131.7 Ų131.756%0.56162%0.62SS**Hα-helixtrans-77.6-39.3177.4-85.2-77.1000113.6R113 E114 Q119 A120 E121R113-N117 PolarHBondContact O-N 2.79Å; R113-N117 PolarHBondContact O-ND2 3.47Å; E114-N117 PolarHBondContact O-N 2.8Å; N117-Q119 PolarHBondContact O-N 3.34Å; N117-A120 WeakPolarHBondContact O-CB 3.24Å; N117-A120 PolarHBondContact O-N 2.56Å; N117-E121 PolarHBondContact O-N 2.82Å; N117-E121 VanDerWaalsContact O-N 3.13Å
118Y54.3Low56.8Low170 Ų170133.5 Ų133.567%0.66763%0.633SS**Hα-helixtrans-66.1-24.1175.5-79.6-75.2000113E114E114-Y118 HydrophobicContact CB-CD2 4.38Å; E114-Y118 HydrophobicContact CB-CE2 4.32Å; E114-Y118 WeakPolarHBondContact O-CD2 2.98Å; E114-Y118 PolarHBondContact O-N 3.44Å
119Q53.9Low55.2Low150 Ų150138.9 Ų138.970%0.70166%0.657SS**Hα-helixtrans-84.4-18.2173.4-151.1171-5.900112.4K115 N117 L123K115-Q119 PolarHBondContact O-N 2.86Å; N117-Q119 PolarHBondContact O-N 3.34Å; Q119-L123 WeakPolarHBondContact O-CD1 3.05Å
120A51.4Low53.5Low67 Ų67136.8 Ų136.855%0.55466%0.664SS**Hα-helixtrans-83.9-22.7172.900000113.4E116 N117E116-A120 PolarHBondContact O-N 3.46Å; N117-A120 WeakPolarHBondContact O-CB 3.24Å; N117-A120 PolarHBondContact O-N 2.56Å
121E53Low52.2Low163 Ų163137.5 Ų137.576%0.76267%0.674SS**THydrogen-bonded Turntrans-87.8-14.2-176.6-158.4166.3132.400114.3N117N117-E121 PolarHBondContact O-N 2.82Å; N117-E121 VanDerWaalsContact O-N 3.13Å
122R50.5Low51.4Low229 Ų229141.7 Ų141.786%0.86469%0.686SS**THydrogen-bonded Turntrans-93.55.5176-74.2-163.2179.3-164.21.2114.9
123L52.1Low51Low77 Ų77138.5 Ų138.540%0.40368%0.682SS.*SBendtrans-102.7132.6175.8-82.788.1000110.7Q119 R126Q119-L123 WeakPolarHBondContact O-CD1 3.05Å; L123-R126 VanDerWaalsContact CD2-CZ 3.49Å
124P54.4Low50.2Low103 Ų103137 Ų13767%0.66969%0.685SS**  trans-56.815217326.6-33.6000109.4R126P124-R126 PolarHBondContact O-N 3.08Å
125P52.2Low49.4Very low124 Ų124142.9 Ų142.981%0.80570%0.704SS**  trans-56103.3-166.724.3-33.6000109.3T127P125-T127 VanDerWaalsContact C-N 3.26Å; P125-T127 PolarHBondContact O-N 2.04Å
126R47.8Very low48.9Very low191 Ų191142.9 Ų142.972%0.72171%0.712SS**  trans-75.493.5174-77.2-164166.5149.20.3106.8L123 P124 C128L123-R126 VanDerWaalsContact CD2-CZ 3.49Å; P124-R126 PolarHBondContact O-N 3.08Å; R126-C128 PolarHBondContact O-N 3.41Å
127T46.8Very low48.6Very low120 Ų120143.1 Ų143.174%0.73672%0.718SS**  trans-23.1121.6154.353.80000110.7P125 L129P125-T127 VanDerWaalsContact C-N 3.26Å; P125-T127 PolarHBondContact O-N 2.04Å; T127-L129 PolarHBondContact O-N 3.27Å
128C41.2Very low48.2Very low105 Ų105145.5 Ų145.571%0.70973%0.727SS**  trans-19.191.2177-51.60000114.3R126 S130R126-C128 PolarHBondContact O-N 3.41Å; C128-S130 PolarHBondContact O-N 3.27Å
129L46.7Very low47.9Very low160 Ų160143.7 Ų143.784%0.83873%0.734SS**  trans-90.286168.6-119.4151.3000107.5T127 N131T127-L129 PolarHBondContact O-N 3.27Å; L129-N131 PolarHBondContact O-N 2.99Å; L129-N131 VanDerWaalsContact O-N 3.12Å
130S42.3Very low47.4Very low99 Ų99141.5 Ų141.569%0.69273%0.734SS**  trans-47.5108.4175.9-61.20000111.8C128 R132C128-S130 PolarHBondContact O-N 3.27Å; S130-R132 PolarHBondContact O-N 3.36Å
131N45.3Very low46.7Very low146 Ų146141.7 Ų141.778%0.78174%0.742SS**  trans-80.9111.5157-158.2-3.1000107.8L129 I133L129-N131 PolarHBondContact O-N 2.99Å; L129-N131 VanDerWaalsContact O-N 3.12Å; N131-I133 VanDerWaalsContact C-N 3.34Å; N131-I133 PolarHBondContact O-N 3.45Å
132R45.6Very low46.3Very low232 Ų232139.1 Ų139.188%0.87574%0.742SS**  trans-69.176.6-172.1-64.4175.2-179.1174.1-0.9111.4S130S130-R132 PolarHBondContact O-N 3.36Å
133I50.1Low45.7Very low128 Ų128136 Ų13666%0.65674%0.742SS**  trans-138.897.1157.6-63.592.4000109N131N131-I133 VanDerWaalsContact C-N 3.34Å; N131-I133 PolarHBondContact O-N 3.45Å
134N40.2Very low45.3Very low123 Ų123143.5 Ų143.566%0.65877%0.765SS**  trans28.797.4137.5-167.6-4.5000116.2
135R42.3Very low44.5Very low207 Ų207142.7 Ų142.778%0.78177%0.767SS**  -163.6119.9129.2-106.6-178-107.9-160.8-1.5109.5N137R135-N137 PolarHBondContact O-N 2.82Å
136N46.4Very low44.1Very low160 Ų160145.9 Ų145.986%0.85677%0.774SS**SBendtrans-67.749.2-164.3-51.5-20.5000114.7
137N49.2Very low44.2Very low147 Ų147145.8 Ų145.879%0.78678%0.784SS**  trans-151.128.1-173.2-155.225000115.7R135R135-N137 PolarHBondContact O-N 2.82Å
138M46.4Very low43.9Very low154 Ų154147.9 Ų147.976%0.75979%0.791SS**  trans-105.177.2179.4-54.7178.4-160.200110.1C140M138-C140 PolarHBondContact O-N 2.68Å; M138-C140 VanDerWaalsContact O-N 3.14Å
139V47.6Very low44Very low133 Ų133148.9 Ų148.981%0.80680%0.799SS**  trans-65.8108.2159.8176.90000106G141V139-G141 PolarHBondContact O-N 2.99Å
140C43.5Very low43.7Very low104 Ų104147.8 Ų147.870%0.70379%0.794SS**  trans-62.988.2165.4-80.70000107.9M138 S142M138-C140 PolarHBondContact O-N 2.68Å; M138-C140 VanDerWaalsContact O-N 3.14Å; C140-S142 VanDerWaalsContact C-N 3.28Å; C140-S142 PolarHBondContact O-N 3.33Å
141G37.7Very low44Very low70 Ų70150.4 Ų150.472%0.72280%0.8SS**  trans-71.982.8173.700000110.1V139V139-G141 PolarHBondContact O-N 2.99Å
142S43.5Very low43.9Very low110 Ų110149.1 Ų149.177%0.76979%0.793SS**  trans-128.650.9160.7-144.10000110C140C140-S142 VanDerWaalsContact C-N 3.28Å; C140-S142 PolarHBondContact O-N 3.33Å
143N38.5Very low44Very low162 Ų162145.6 Ų145.687%0.86679%0.792SS**  trans-93.175.6158.1-69.8-25.6000107.6
144R43.5Very low43.3Very low235 Ų235147.3 Ų147.389%0.88780%0.802SS**  trans-128.985.3157.7-85.6-176.3175.7160.7-1.3105.4
145A37.2Very low43.6Very low86 Ų86145.8 Ų145.871%0.71180%0.802SS**  53.785.189.600000110
146M44.4Very low43.6Very low191 Ų191142.8 Ų142.894%0.94180%0.801SS**  trans175.472.5162-94156.6-152.500107.9
147M48.9Very low43.3Very low190 Ų190142.3 Ų142.394%0.93680%0.799SS**  trans-114.1107.1156.3-98.8-169.7159.700106.8S149M147-S149 PolarHBondContact O-N 3.44Å
148D42.4Very low42.8Very low163 Ų163139.9 Ų139.987%0.87279%0.79SS**  trans-51.2101.6165.5-99-45.6000109.2N150D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.41Å
149S42.9Very low42.6Very low127 Ų127139.3 Ų139.389%0.88879%0.791SS**  trans-8777.4168.9-152.80000107.6M147M147-S149 PolarHBondContact O-N 3.44Å
150N40.6Very low42.2Very low136 Ų136140 Ų14073%0.72779%0.79SS**  trans-115.383.6170.7-158.211000107.6D148D148-N150 VanDerWaalsContact C-N 3.28Å; D148-N150 PolarHBondContact O-N 3.41Å
151N47Very low42.2Very low154 Ų154142.3 Ų142.382%0.82479%0.79SS**  trans-124.794.4169.5-157.16.5000109.4
152N43.9Very low42.4Very low119 Ų119144.6 Ų144.664%0.63679%0.79SS**  trans-55.3129.8160-79-32.7000109.2
153N48.2Very low42.2Very low159 Ų159146.1 Ų146.185%0.8579%0.79SS**  162.995.8125.1-79.7-24.1000109.6
154N35.8Very low42.2Very low163 Ų163143.4 Ų143.487%0.87278%0.779SS**  trans-91.997.3163.2-168.117.8000107.6
155S46.2Very low42.2Very low92 Ų92139.9 Ų139.964%0.64378%0.778SS**  trans-169.5110.6154.6-98.20000111
156N41.8Very low42Very low144 Ų144142.5 Ų142.577%0.7778%0.78SS**  trans58.9102.6133-47.2-24.2000116.9
157N40.4Very low41.9Very low150 Ų150139.8 Ų139.880%0.80277%0.774SS**  170.4129.5100.6-154.216.5000108.4
158P38.9Very low41.2Very low95 Ų95136.4 Ų136.462%0.61776%0.764SS**  trans-80.9158.1169.334.3-29.2000109.4
159N42.1Very low41.2Very low143 Ų143133.7 Ų133.777%0.76576%0.755SS**  trans135.3133.9150.6-59.6-13.2000111.9
160D39.6Very low40.9Very low147 Ų147139.1 Ų139.179%0.78676%0.758SS**  trans72.7142.7166.8-70.9-10.4000119.2
161E42Very low40.6Very low152 Ų152136.4 Ų136.471%0.7176%0.755SS**  cis-179.9140.4-30.4-152.4177.786.800101.1
162T43.3Very low40.1Very low118 Ų118134.3 Ų134.372%0.72475%0.752SS**  trans66.6149.2164.173.60000116
163D38.8Very low39.7Very low142 Ų142137.1 Ų137.176%0.75976%0.759SS**  cis-157.1160.38.5-151.7-13.1000108.6
164V39.3Very low39.8Very low105 Ų105135.5 Ų135.564%0.63676%0.755SS**  trans-42.2142174.1178.80000113.5
165N43.7Very low39.9Very low161 Ų161135 Ų13586%0.86175%0.752SS**  -173.7102129.2-85.6-34.3000112.5
166N32.5Very low39.7Very low142 Ų142138.4 Ų138.476%0.75976%0.762SS**  trans-88.8115.2168.517131.5000109
167V41.1Very low39.8Very low134 Ų134136.1 Ų136.181%0.81276%0.763SS**  trans-153.4111.7156.5-168.40000111.7
168T35.7Very low39.6Very low118 Ų118135.4 Ų135.472%0.72477%0.766SS**  trans-104.4170.915144.60000108.8
169P42.6Very low39.3Very low107 Ų107134.3 Ų134.370%0.69577%0.772SS**  cis-130167.1-44.336-19.7000111.6
170Y36.6Very low39.1Very low240 Ų240137 Ų13794%0.94178%0.781SS**  trans-130.4113.6165-84.9-82.3000111.7
171A34Very low38.8Very low80 Ų80136.7 Ų136.766%0.66178%0.784SS**  trans-81.3131.7165.200000109.4F173A171-F173 HydrophobicContact CB-CE2 4.05Å
172S36.7Very low38.5Very low110 Ų110137.7 Ų137.777%0.76979%0.789SS**  trans-111.7114.1169.6-179.40000109
173F34.7Very low37.8Very low178 Ų178135.8 Ų135.878%0.78179%0.793SS**  trans-95.4123.8168.3-65.7-86.7000108.1A171A171-F173 HydrophobicContact CB-CE2 4.05Å
174V49.7Very low37.7Very low125 Ų125139 Ų13976%0.75880%0.795SS**  trans-91.3114.9169.3-178.50000108.1L176V174-L176 HydrophobicContact CG1-CD1 3.99Å
175N38.6Very low37.5Very low153 Ų153139.8 Ų139.882%0.81881%0.806SS**  trans-71.8127174.4-71.3-63.7000110.9
176L41.4Very low37.1Very low163 Ų163138 Ų13885%0.85380%0.801SS**  trans-128.8144.6158.1-94.592.1000111.2V174V174-L176 HydrophobicContact CG1-CD1 3.99Å
177A43.9Very low37.3Very low95 Ų95136.9 Ų136.979%0.78580%0.804SS**  trans-72.4157.8-155.400000116.5
178P36.1Very low37Very low135 Ų135139.3 Ų139.388%0.87781%0.806SS**SBendtrans-84.1129.6179.933.6-29.6000110.7
179G33.6Very low37Very low72 Ų72139.5 Ų139.574%0.74281%0.813SS**  trans132.964.1164.800000115.3
180Q38.4Very low36.7Very low201 Ų201143.4 Ų143.494%0.93982%0.819SS**  trans-142.4108.8149.6-76.9-163.6-1400109.5
181T33.2Very low36.5Very low140 Ų140137.4 Ų137.486%0.85981%0.812SS**  trans-75.6119.7171.646.30000109.6
182Q34.3Very low36.9Very low173 Ų173138.1 Ų138.181%0.80881%0.808SS**  trans-135.5116.3153.5-87.3-175.7-8.300108.8
183G30Very low36.8Very low78 Ų78144.1 Ų144.180%0.80482%0.815SS**  trans-69144.2-173.300000112.6
184Y35.9Very low36.8Very low208 Ų208143 Ų14382%0.81681%0.813SS**  trans-125.8121.1165.7-76.9-83.2000109
185S35.8Very low36.1Very low122 Ų122143.8 Ų143.885%0.85381%0.813SS**  trans-53.6134.3177.1-69.90000112.4S187S185-S187 PolarHBondContact O-N 3.33Å
186T33.7Very low36.3Very low125 Ų125143.1 Ų143.177%0.76781%0.814SS**  trans-74.2117.5170.8490000109.6
187S38.2Very low36.1Very low118 Ų118139 Ų13983%0.82581%0.811SS**  trans-96.498.1165.7-500000107.6S185S185-S187 PolarHBondContact O-N 3.33Å
188Q33.7Very low35.7Very low184 Ų184147 Ų14786%0.8682%0.821SS**  trans-76.2122.8168.1-66.31785.300108.3
189S36.7Very low35.4Very low122 Ų122143.6 Ų143.685%0.85381%0.811SS**  trans-120.4103.2161.559.50000108
190F35.8Very low35.8Very low190 Ų190149.5 Ų149.583%0.83382%0.819SS**  trans-83.3123.2173.9-158.1-117.4000107.7V192F190-V192 HydrophobicContact CD1-CG2 3.3Å; F190-V192 HydrophobicContact CE1-CG2 3.05Å; F190-V192 HydrophobicContact CG-CG2 4.43Å; F190-V192 HydrophobicContact CZ-CG2 4.04Å
191S32.9Very low35.7Very low113 Ų113149.4 Ų149.479%0.7982%0.819SS**  trans-106.1106.2168.462.10000108.4
192V42.8Very low35.8Very low96 Ų96151.4 Ų151.458%0.58282%0.816SS**  trans-98.9105.2165.5-178.10000107F190 E194F190-V192 HydrophobicContact CD1-CG2 3.3Å; F190-V192 HydrophobicContact CE1-CG2 3.05Å; F190-V192 HydrophobicContact CG-CG2 4.43Å; F190-V192 HydrophobicContact CZ-CG2 4.04Å; V192-E194 HydrophobicContact CG1-CB 4.27Å
193Y33Very low35.8Very low235 Ų235149.5 Ų149.592%0.92281%0.811SS**  trans-99.7107.4148.4-98.2-86.5000105.3
194E36.3Very low36.2Very low156 Ų156150.8 Ų150.873%0.72981%0.808SS**  trans-152.7116.6160.8-113176.6168.900109.5V192V192-E194 HydrophobicContact CG1-CB 4.27Å
195N34.1Very low36.1Very low140 Ų140145.5 Ų145.575%0.74980%0.802SS**  trans60.797.3146.8-56.3-29.7000119.4
196V43.1Very low36Very low139 Ų139148.7 Ų148.784%0.84280%0.8SS**  trans-138.4113.8141.6-82.60000109.4
197G37.5Very low36.2Very low78 Ų78151.5 Ų151.580%0.80480%0.798SS**  trans-75.6142175.100000110.8G199G197-G199 PolarHBondContact O-N 3.19Å
198W34.1Very low35.9Very low261 Ų261153.5 Ų153.599%0.98980%0.8SS**  trans-83.2108177.4-66.687.7000109.4
199G30.9Very low36.2Very low65 Ų65151.8 Ų151.867%0.6780%0.796SS**  trans-162.8103.5167.600000107.6G197G197-G199 PolarHBondContact O-N 3.19Å
200E40.9Very low36Very low195 Ų195153.1 Ų153.191%0.91179%0.793SS**  trans173.1131135.2-92.4172.3-165.700109.9
201E37.1Very low36.2Very low199 Ų199151.1 Ų151.193%0.9379%0.791SS**  trans-72.5115.8-178.5-160.8167.1-157.100108
202F35.6Very low36.2Very low183 Ų183151 Ų15180%0.80379%0.788SS**  trans-100108.1-179.4-135.8-92.4000110.4
203D35Very low35.7Very low132 Ų132152.9 Ų152.971%0.70679%0.792SS**  trans-71.3125.5175.2-157-11.5000110.1S205D203-S205 VanDerWaalsContact C-N 3.31Å; D203-S205 PolarHBondContact O-N 3.5Å
204S36.5Very low35.8Very low106 Ų106145 Ų14574%0.74177%0.771SS**  trans-89.619.5-166.6-165.90000114.2
205S35.6Very low35.8Very low97 Ų97143.4 Ų143.468%0.67877%0.772SS**  trans-106.659.8-177.569.30000112.9D203D203-S205 VanDerWaalsContact C-N 3.31Å; D203-S205 PolarHBondContact O-N 3.5Å
206K33.6Very low35.7Very low189 Ų189145.7 Ų145.782%0.82277%0.772SS**  trans-162.661.8170.1-146.4172.7-173.7176.70114.5
207Y37.5Very low35.3Very low183 Ų183144.6 Ų144.672%0.71877%0.765SS**  trans-131.583.6163-65.9-76.2000109.4L209Y207-L209 PolarHBondContact O-N 3.14Å
208D32.1Very low35.3Very low161 Ų161150.2 Ų150.286%0.86176%0.764SS**  trans-70.3100152.1-89.4-39.6000106.6N210D208-N210 PolarHBondContact O-N 3.46Å
209L38.7Very low35.2Very low148 Ų148146.1 Ų146.178%0.77576%0.756SS**  trans-95.787.2174.5-141.687.1000108.7Y207Y207-L209 PolarHBondContact O-N 3.14Å
210N33.5Very low35.6Very low149 Ų149147.5 Ų147.580%0.79775%0.751SS**  trans-83.197.9158.7-73-40000107.3D208D208-N210 PolarHBondContact O-N 3.46Å
211D39Very low35.5Very low148 Ų148147.8 Ų147.879%0.79175%0.752SS**  trans-168.1159.3162.3-103.9-19.9000111.9
212P33.5Very low35.7Very low112 Ų112142.2 Ų142.273%0.72775%0.749SS**  trans-100.2156.7-134.137.3-36.7000116.6
213M32.8Very low35.5Very low135 Ų135140.1 Ų140.167%0.66574%0.741SS**  trans40.497.8150.7-154.2177.6-160.200117.6
214S35.3Very low35.5Very low70 Ų70138.5 Ų138.549%0.4974%0.736SS.*  trans-107.8113163.741.20000110.7Y216S214-Y216 WeakPolarHBondContact O-CD2 3.21Å; S214-Y216 WeakPolarHBondContact O-CE2 3.47Å; S214-Y216 VanDerWaalsContact OG-CE2 3.32Å; S214-Y216 WeakPolarHBondContact OG-CE2 3.41Å; S214-Y216 PolarHBondContact OG-OH 3.39Å
215T34.7Very low35.5Very low121 Ų121140.2 Ų140.274%0.74273%0.732SS**  trans-68.7123.3166.5-540000109
216Y33.8Very low35.4Very low189 Ų189143 Ų14374%0.74174%0.738SS**  trans-111.2127.4171.7-53.1-81.9000109.4S214S214-Y216 WeakPolarHBondContact O-CD2 3.21Å; S214-Y216 WeakPolarHBondContact O-CE2 3.47Å; S214-Y216 VanDerWaalsContact OG-CE2 3.32Å; S214-Y216 WeakPolarHBondContact OG-CE2 3.41Å; S214-Y216 PolarHBondContact OG-OH 3.39Å
217T34.7Very low35.7Very low116 Ų116139.5 Ų139.571%0.71273%0.733SS**  trans-105.2129.9168.718.10000108.3
218Y35.7Very low35.6Very low196 Ų196138.1 Ų138.177%0.76973%0.733SS**  trans-124.6135.5167.757.8-89.1000109.4T220Y218-T220 HydrophobicContact CD2-CG2 4.27Å
219E32.2Very low36Very low175 Ų175136.7 Ų136.782%0.81872%0.724SS**  trans-92.7117.2178.9-123.5179.2166.300108.6
220T39.5Very low36Very low93 Ų93135.6 Ų135.657%0.57172%0.719SS**  trans-126.4120.4163.453.70000107.7Y218 G222Y218-T220 HydrophobicContact CD2-CG2 4.27Å; T220-G222 PolarHBondContact O-N 3.12Å
221Q40Very low35.9Very low201 Ų201136.3 Ų136.394%0.93972%0.723SS**THydrogen-bonded Turntrans40.959.9167.8-60.8-166-11.200116.6Q223Q221-Q223 PolarHBondContact O-N 2.75Å
222G39.5Very low35.8Very low83 Ų83133.5 Ų133.586%0.85672%0.715SS**THydrogen-bonded Turntrans76.315157.300000117.2T220T220-G222 PolarHBondContact O-N 3.12Å
223Q32.4Very low35.8Very low139 Ų139133.9 Ų133.965%0.6572%0.715SS**  trans-136.9112.7174.3-156.6167.68.400111.1Q221Q221-Q223 PolarHBondContact O-N 2.75Å
224V35.8Very low35.7Very low98 Ų98136 Ų13659%0.59472%0.723SS**  trans-85.7111.5175.2-178.60000108.3L226V224-L226 HydrophobicContact CG1-CD1 4.22Å
225H34.7Very low35.5Very low141 Ų141138.7 Ų138.765%0.65374%0.737SS**  trans-98.7119168-92.9-90.6000109.4
226L35.4Very low35.2Very low155 Ų155143.1 Ų143.181%0.81274%0.741SS**  trans-81.5123.8163.9-83.288.2000108.4V224V224-L226 HydrophobicContact CG1-CD1 4.22Å
227V38.3Very low35.1Very low117 Ų117141.6 Ų141.671%0.70975%0.745SS**  trans-118.8106.5166.8-177.30000106.9I229V227-I229 HydrophobicContact CG1-CD1 4.42Å; V227-I229 HydrophobicContact CG1-CG1 3.98Å
228E35.5Very low35Very low154 Ų154142 Ų14272%0.7274%0.743SS**  trans-94.1120172-168.9166.8-153.600107
229I40.6Very low34.8Very low130 Ų130144.4 Ų144.467%0.66775%0.751SS**  trans-108.396.4175.3-55.4179.4000106.8V227 N231V227-I229 HydrophobicContact CG1-CD1 4.42Å; V227-I229 HydrophobicContact CG1-CG1 3.98Å; I229-N231 PolarHBondContact O-N 3.44Å
230D38.4Very low34.9Very low126 Ų126142 Ų14267%0.67474%0.743SS**  trans-70114.6167.9-88.4-28.8000109.2
231N32.3Very low34.6Very low164 Ų164143 Ų14388%0.87775%0.75SS**  trans-122.473.4170.1-142.313.9000108.5I229I229-N231 PolarHBondContact O-N 3.44Å
232S36.1Very low34.5Very low89 Ų89141.5 Ų141.562%0.62275%0.746SS**  trans-130.6118.6169.7660000111.4
233T34.5Very low34.5Very low119 Ų119143.5 Ų143.573%0.7374%0.737SS**  trans64.4105.3140.646.70000119.1T235T233-T235 PolarHBondContact O-N 3.19Å
234E29.6Very low34.7Very low181 Ų181143.9 Ų143.985%0.84674%0.744SS**  trans5111.5135.3-58.2-171.3158.900115.8
235T32Very low34.7Very low126 Ų126148.8 Ų148.877%0.77376%0.757SS**  trans-144.4104.1149.4-43.20000108.7T233 L237T233-T235 PolarHBondContact O-N 3.19Å; T235-L237 PolarHBondContact O-N 3.35Å
236Y27.8Very low34.6Very low213 Ų213151.3 Ų151.384%0.83577%0.769SS**  trans-49.7123.7157.1-75.4-104.3000108.6
237L32.9Very low34.6Very low157 Ų157149.2 Ų149.282%0.82276%0.763SS**  trans-175.9113.2144-98.5152.1000112.3T235T235-L237 PolarHBondContact O-N 3.35Å
238N32.6Very low34.1Very low124 Ų124149.2 Ų149.266%0.66377%0.768SS**  trans75.588136.2-145.820000119.7N240N238-N240 PolarHBondContact O-N 3.47Å
239R30.3Very low34Very low248 Ų248151.7 Ų151.794%0.93677%0.772SS**  trans-8391.1161.3-169.9177.9-160.2158.74.6109.3
240N34.8Very low33.5Very low123 Ų123150 Ų15066%0.65877%0.772SS**  trans-91.1108.8160.3-87.90.4000109.2N238N238-N240 PolarHBondContact O-N 3.47Å
241T33.3Very low33.4Very low116 Ų116151.8 Ų151.871%0.71278%0.776SS**  trans-9.7119.7141.418.70000115.7
242I37.4Very low33.6Very low168 Ų168153.5 Ų153.586%0.86277%0.772SS**  trans-142.3127.7138.6-61.1-172.4000108.3
243D40.3Very low33.5Very low126 Ų126152.7 Ų152.767%0.67478%0.778SS**  trans-58.5156.3178.3-64.4-60.9000115.8
244D35.4Very low33.1Very low146 Ų146154.3 Ų154.378%0.78178%0.781SS**  trans48101140.5-58.8-23.1000119.7
245K37Very low33.3Very low201 Ų201152.7 Ų152.787%0.87478%0.778SS**  trans-166.2124.1135.5-115.2170.4-177.4174.90112.8T247K245-T247 PolarHBondContact O-N 3.36Å
246E33.1Very low33.2Very low195 Ų195153.1 Ų153.191%0.91178%0.78SS**  trans-45.1127.6159-70.5179.7136.900110.7
247T34.2Very low33.5Very low111 Ų111151 Ų15168%0.68178%0.778SS**  trans-150.295.4158.321.30000109.4K245 Y249K245-T247 PolarHBondContact O-N 3.36Å; T247-Y249 HydrophobicContact CG2-CD2 4.02Å; T247-Y249 HydrophobicContact CG2-CE2 3.64Å
248S27.6Very low33.2Very low116 Ų116154.9 Ų154.981%0.81178%0.782SS**  trans-63.2122.115354.60000108.7
249Y34Very low33.1Very low206 Ų206154 Ų15481%0.80879%0.785SS**  trans-132.2117.1162.5-89.3-84.8000110.2T247T247-Y249 HydrophobicContact CG2-CD2 4.02Å; T247-Y249 HydrophobicContact CG2-CE2 3.64Å
250S30.5Very low33Very low96 Ų96148 Ų14867%0.67178%0.775SS**  trans-74.1145167.150.30000111.8
251E35.8Very low32.6Very low162 Ų162148.5 Ų148.576%0.75778%0.783SS**  trans-159.990.6167.4-172.192.4-150.200110.4
252Y37.2Very low32.6Very low201 Ų201147.2 Ų147.279%0.78879%0.785SS**  trans51.3137.1145.3-41-73.5000121
253G32.7Very low32.1Very low72 Ų72147.2 Ų147.274%0.74278%0.781SS**  cis-176.8164.310.100000112.7
254L27.5Very low32Very low153 Ų153147.2 Ų147.280%0.80179%0.788SS**  trans-30.9143.6163.8-92.268.9000113.6
255L33.5Very low31.7Very low147 Ų147145.2 Ų145.277%0.7778%0.78SS**  -152.2117.278-86.8159.4000112E257L255-E257 PolarHBondContact O-N 3.34Å
256T29.9Very low31.5Very low134 Ų134142.6 Ų142.682%0.82278%0.775SS**  trans-68.4106.9146.715.20000107.4
257E34.1Very low31.5Very low169 Ų169140 Ų14079%0.7977%0.767SS**  trans-104.2107.3158.2-97.9-164.9145.400110.1L255L255-E257 PolarHBondContact O-N 3.34Å
258R26.7Very low31.5Very low239 Ų239141.2 Ų141.290%0.90277%0.769SS**  trans-79.4114.3161.6-150.8-175.7-162.4173.93.6105.8
259S30.2Very low32.1Very low104 Ų104145 Ų14573%0.72777%0.774SS**  trans-13898.1156.659.60000110.3
260V27.4Very low32.3Very low122 Ų122145.8 Ų145.874%0.73978%0.776SS**  trans-66.8144.4154.5172.60000107.3
261T27.9Very low32.8Very low134 Ų134149.2 Ų149.282%0.82278%0.781SS**  trans107.1129.5175.957.20000113.3
262A32.2Very low32.9Very low90 Ų90147 Ų14774%0.74478%0.779SS**  cis-152.2149.612.200000110.2
263Q28.1Very low33.4Very low167 Ų167145.8 Ų145.878%0.7878%0.784SS**  trans-60147.3161.4-66.8169.2-2.500110
264P36.4Very low34.2Very low126 Ų126150.8 Ų150.882%0.81882%0.818SS**  trans-102.8100.9135.930.4-23.9000108.3
265V30.2Very low34.6Very low104 Ų104150.7 Ų150.763%0.6382%0.819SS**  trans-61.1148.9145.1173.20000107.2
266L32.2Very low34.6Very low147 Ų147150.8 Ų150.877%0.7782%0.822SS**  trans117.2132.4170.9-64.3171.9000111.1
267L34.4Very low34.9Very low140 Ų140151.8 Ų151.873%0.73382%0.822SS**  cis-157.9130.59.8-140.8146.6000108.1Q269L267-Q269 PolarHBondContact O-N 3.44Å
268N32.9Very low35Very low136 Ų136150.8 Ų150.873%0.72782%0.824SS**  trans-14.3119.4152.8-1558.4000115.4
269Q40.7Very low35.5Very low196 Ų196145.3 Ų145.392%0.91682%0.819SS**  trans-147.987.4146.1-116.3-178.5-500110.6L267L267-Q269 PolarHBondContact O-N 3.44Å
270R37.6Very low35.8Very low222 Ų222148 Ų14884%0.83883%0.825SS**  trans-63.6125.6152.9-176.6-172.1-164-174.84.1108
271E41.9Very low36.4Very low168 Ų168149.9 Ų149.979%0.78583%0.831SS**  179.8120.6128.9-102.3177.5148.700112.8
272T36.9Very low37.1Very low117 Ų117151.1 Ų151.172%0.71883%0.832SS**  trans50.1125.914149.20000120.6
273I48.8Very low37.5Very low174 Ų174156.2 Ų156.289%0.89284%0.839SS**  -165.1132.5120.4-84.5138.6000108.7
274A50Low38.3Very low177 Ų177155.2 Ų155.2100%1.46385%0.845SS**  trans77.50172.600000118.3

Retrieved 274 of 274 residues in 306.6 ms (Link to these results)