A0A087XEC4_POEFO Loading...

Hematopoietic SH2 domain-containing protein homolog

AlphaFold DB , UniProt , Accession A0A087XEC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1M36.9Very low39.6Very low230 Ų230165.2 Ų165.2100%1.13384%0.841SS**  0102.30-69-61.9165.600107
2P42.9Very low39.3Very low132 Ų132158.8 Ų158.886%0.85782%0.823SS**PPolyproline II helixtrans-79.2125.1178.431.4-27.3000108.7
3S37.8Very low39.5Very low115 Ų115155.6 Ų155.680%0.80482%0.815SS**PPolyproline II helixtrans-68.6126.8-179.4-47.90000110.8K5S3-K5 PolarHBondContact O-N 3.09Å
4E45.2Very low39.9Very low189 Ų189159.6 Ų159.688%0.88383%0.827SS**PPolyproline II helixtrans-59.1117167.3-67.9175.412800108.9T6E4-T6 PolarHBondContact O-N 3.29Å
5K42.8Very low40.4Very low203 Ų203151.9 Ų151.988%0.88380%0.802SS**  trans-77.5100168-82.8-175.8176.1-176.20107.9S3 M7S3-K5 PolarHBondContact O-N 3.09Å; K5-M7 PolarHBondContact O-N 3.25Å
6T42.1Very low41.4Very low134 Ų134154.4 Ų154.482%0.82281%0.808SS**  trans-50.4119.4157.716.30000109.3E4 E8E4-T6 PolarHBondContact O-N 3.29Å; T6-E8 VanDerWaalsContact C-N 3.35Å; T6-E8 PolarHBondContact O-N 3.2Å
7M39.3Very low42.9Very low187 Ų187151 Ų15192%0.92179%0.785SS**  trans-68.296.9164.1-98166.1165.500107.5K5 W9K5-M7 PolarHBondContact O-N 3.25Å; M7-W9 PolarHBondContact O-N 3.19Å
8E32.1Very low45.4Very low170 Ų170147.2 Ų147.279%0.79477%0.766SS**  trans-71.5103.4169.7-166.7-177.1114.100108.1T6 S10T6-E8 VanDerWaalsContact C-N 3.35Å; T6-E8 PolarHBondContact O-N 3.2Å; E8-S10 PolarHBondContact O-N 3.48Å; E8-S10 VanDerWaalsContact O-N 3.14Å
9W35.7Very low47.5Very low197 Ų197140.3 Ų140.375%0.74673%0.732SS**  trans-72.298.6171.6173.7-100.3000108.8M7 Q11M7-W9 PolarHBondContact O-N 3.19Å; W9-Q11 PolarHBondContact O-N 2.64Å
10S38.3Very low49.3Very low84 Ų84136.9 Ų136.959%0.58771%0.711SS**  trans-73.5113.5169.3-48.60000109.2E8 S12E8-S10 PolarHBondContact O-N 3.48Å; E8-S10 VanDerWaalsContact O-N 3.14Å; S10-S12 VanDerWaalsContact C-N 3.27Å; S10-S12 PolarHBondContact O-N 3.04Å
11Q42.8Very low51Low176 Ų176133 Ų13382%0.82269%0.693SS**  trans-61.384.9167.9-65.5176.14.800110.1W9W9-Q11 PolarHBondContact O-N 2.64Å
12S35.4Very low53.5Low89 Ų89123 Ų12362%0.62264%0.643SS**  trans-92113.3155.3-84.40000107S10S10-S12 VanDerWaalsContact C-N 3.27Å; S10-S12 PolarHBondContact O-N 3.04Å
13T41.8Very low55.6Low117 Ų117116.8 Ų116.872%0.71860%0.602SS**  trans-1.6134.9160.251.10000115.4G15T13-G15 PolarHBondContact O-N 3.28Å
14Q46Very low57.8Low211 Ų211113.5 Ų113.599%0.98658%0.578SS**  trans-61.451.3156-78.6164.4-4600110.7Q16Q14-Q16 PolarHBondContact O-N 3.19Å
15G47.4Very low59.6Low44 Ų44111.5 Ų111.545%0.45457%0.568SS.*  trans-76.9108.7159.600000106.2T13 K17T13-G15 PolarHBondContact O-N 3.28Å; G15-K17 VanDerWaalsContact C-N 3.28Å; G15-K17 PolarHBondContact O-N 3.14Å
16Q55.9Low61.4Low193 Ų193104.3 Ų104.390%0.90254%0.544SS*.  trans17.365.7157.9-68.6-79-36.400114.2Q14 D18Q14-Q16 PolarHBondContact O-N 3.19Å; Q16-D18 PolarHBondContact O-N 3.27Å
17K67.4Low63.5Low96 Ų9698.5 Ų98.542%0.41751%0.507SS..  trans-76.5124.4172.4-73.4-167.8179.2-172.90106.5G15 V71G15-K17 VanDerWaalsContact C-N 3.28Å; G15-K17 PolarHBondContact O-N 3.14Å; K17-V71 HydrophobicContact CB-CG2 4.04Å; K17-V71 WeakPolarHBondContact O-CG2 3.43Å
18D86.8Confident65.4Low83 Ų8391.9 Ų91.944%0.44448%0.475SS..  trans-57127.8175.8164.367.5000109.2Q16 F20 T21 W22Q16-D18 PolarHBondContact O-N 3.27Å; D18-F20 PolarHBondContact O-N 3.28Å; D18-F20 VanDerWaalsContact O-N 3.14Å; D18-F20 VanDerWaalsContact OD2-CB 3.23Å; D18-F20 WeakPolarHBondContact OD2-CB 3.48Å; D18-F20 PolarHBondContact OD2-N 2.94Å; D18-T21 HydrophobicContact CB-CG2 4.26Å; D18-T21 PolarHBondContact O-N 3Å; D18-T21 PolarHBondContact O-OG1 2.94Å; D18-T21 PolarHBondContact OD2-N 2.83Å; D18-W22 PolarHBondContact O-N 2.93Å
19P85.6Confident67.7Low16 Ų1694 Ų9410%0.10448%0.476CS..Hα-helixtrans-57.8-30.9-174.6-26.434.4000113.9F23 V66 S67P19-F23 WeakPolarHBondContact O-CB 3.3Å; P19-F23 PolarHBondContact O-N 3.43Å; P19-V66 HydrophobicContact CB-CG1 4.21Å; P19-S67 WeakPolarHBondContact CB-O 3.3Å; P19-S67 VanDerWaalsContact CG-O 3.31Å; P19-S67 WeakPolarHBondContact CG-O 3.29Å
20F84.5Confident69.7Low71 Ų7188.4 Ų88.431%0.31147%0.467SS..Hα-helixtrans-65.9-49.1175.3167.7-79.4000111.2D18 W22 F23 T24 I44 L144 S147D18-F20 PolarHBondContact O-N 3.28Å; D18-F20 VanDerWaalsContact O-N 3.14Å; D18-F20 VanDerWaalsContact OD2-CB 3.23Å; D18-F20 WeakPolarHBondContact OD2-CB 3.48Å; D18-F20 PolarHBondContact OD2-N 2.94Å; F20-W22 PolarHBondContact O-N 3.13Å; F20-F23 PolarHBondContact O-N 2.94Å; F20-T24 PolarHBondContact O-N 3.48Å; F20-T24 PolarHBondContact O-OG1 2.85Å; F20-I44 HydrophobicContact CB-CD1 3.67Å; F20-I44 HydrophobicContact CD2-CD1 3.31Å; F20-I44 HydrophobicContact CE2-CD1 4.31Å; F20-I44 HydrophobicContact CG-CD1 3.94Å; F20-L144 HydrophobicContact CD2-CD2 4.03Å; F20-L144 HydrophobicContact CE2-CD2 4.1Å; F20-S147 WeakPolarHBondContact CZ-OG 3.4Å
21T85.3Confident71.6Confident56 Ų5685 Ų8534%0.34444%0.442SS..Hα-helixtrans-60.4-45.4177.258.40000111.9D18 F23 T24 E25D18-T21 HydrophobicContact CB-CG2 4.26Å; D18-T21 PolarHBondContact O-N 3Å; D18-T21 PolarHBondContact O-OG1 2.94Å; D18-T21 PolarHBondContact OD2-N 2.83Å; T21-F23 PolarHBondContact O-N 3.22Å; T21-T24 PolarHBondContact O-N 3.29Å; T21-E25 WeakPolarHBondContact O-CG 3.34Å; T21-E25 PolarHBondContact O-N 2.9Å; T21-E25 VanDerWaalsContact O-N 3.08Å
22W88.5Confident73.3Confident21 Ų2178 Ų788%0.0841%0.409CS..Hα-helixtrans-57.9-46.5176.9163.678.7000112.4D18 F20 S26 Q27 V66 V71 G72 Y73 V90D18-W22 PolarHBondContact O-N 2.93Å; F20-W22 PolarHBondContact O-N 3.13Å; W22-S26 VanDerWaalsContact O-CB 3.31Å; W22-S26 WeakPolarHBondContact O-CB 3.09Å; W22-S26 PolarHBondContact O-N 3.3Å; W22-Q27 HydrophobicContact CD2-CG 4.38Å; W22-Q27 HydrophobicContact CH2-CG 3.67Å; W22-Q27 HydrophobicContact CZ2-CG 3.43Å; W22-Q27 VanDerWaalsContact CZ2-CG 3.43Å; W22-Q27 HydrophobicContact CZ3-CG 4.21Å; W22-V66 HydrophobicContact CZ3-CG1 4.45Å; W22-V71 HydrophobicContact CB-CG1 4.44Å; W22-V71 HydrophobicContact CB-CG2 4.02Å; W22-V71 HydrophobicContact CD2-CB 4.38Å; W22-V71 HydrophobicContact CD2-CG1 3.52Å; W22-V71 VanDerWaalsContact CE2-CG1 3.4Å; W22-V71 HydrophobicContact CE3-CG1 4.2Å; W22-V71 HydrophobicContact CG-CB 4.34Å; W22-V71 HydrophobicContact CG-CG1 3.58Å; W22-V71 HydrophobicContact CG-CG2 4.04Å; W22-V71 HydrophobicContact CZ2-CG1 3.95Å; W22-G72 VanDerWaalsContact CH2-CA 3.46Å; W22-G72 WeakPolarHBondContact CZ3-O 3.44Å; W22-Y73 AromaticContact CH2-CD2 3.97Å; W22-Y73 HydrophobicContact CH2-CD2 3.97Å; W22-Y73 AromaticContact CH2-CE2 3.49Å; W22-Y73 HydrophobicContact CH2-CE2 3.49Å; W22-Y73 VanDerWaalsContact CH2-CE2 3.49Å; W22-Y73 AromaticContact CH2-CZ 3.94Å; W22-Y73 HydrophobicContact CZ2-CE2 4.41Å; W22-Y73 HydrophobicContact CZ3-CE2 4.2Å; W22-V90 HydrophobicContact CH2-CG2 3.79Å; W22-V90 HydrophobicContact CZ2-CB 3.96Å; W22-V90 HydrophobicContact CZ2-CG2 3.51Å
23F86.8Confident74.7Confident0 Ų076.8 Ų76.80%041%0.411CS..Hα-helixtrans-62.9-48.5-178.2178.1-89.1000111.1P19 F20 T21 E25 Q27 L28 V31 F32 F41 V66 Y73 L144P19-F23 WeakPolarHBondContact O-CB 3.3Å; P19-F23 PolarHBondContact O-N 3.43Å; F20-F23 PolarHBondContact O-N 2.94Å; T21-F23 PolarHBondContact O-N 3.22Å; F23-E25 VanDerWaalsContact C-N 3.33Å; F23-E25 PolarHBondContact O-N 3.23Å; F23-Q27 HydrophobicContact CD2-CB 3.75Å; F23-Q27 HydrophobicContact CE2-CB 4.01Å; F23-Q27 HydrophobicContact CG-CB 4.35Å; F23-Q27 CarbonylContact O-C 3.52Å; F23-Q27 WeakPolarHBondContact O-CA 3.38Å; F23-Q27 WeakPolarHBondContact O-CB 3.39Å; F23-Q27 PolarHBondContact O-N 3.29Å; F23-L28 HydrophobicContact CE1-CD1 4.37Å; F23-L28 PolarHBondContact O-N 3.14Å; F23-V31 HydrophobicContact CE2-CG2 4.01Å; F23-V31 HydrophobicContact CZ-CB 4.35Å; F23-V31 HydrophobicContact CZ-CG2 4.28Å; F23-F32 AromaticContact CE1-CE2 3.94Å; F23-F32 HydrophobicContact CE1-CE2 3.94Å; F23-F32 AromaticContact CZ-CE2 3.76Å; F23-F32 HydrophobicContact CZ-CE2 3.76Å; F23-F41 HydrophobicContact CE2-CE2 4.26Å; F23-F41 AromaticContact CE2-CZ 3.64Å; F23-F41 HydrophobicContact CE2-CZ 3.64Å; F23-F41 HydrophobicContact CZ-CE1 4.07Å; F23-F41 AromaticContact CZ-CZ 3.55Å; F23-F41 HydrophobicContact CZ-CZ 3.55Å; F23-V66 HydrophobicContact CB-CG1 4.3Å; F23-V66 HydrophobicContact CB-CG2 4.39Å; F23-V66 HydrophobicContact CD2-CG2 3.51Å; F23-V66 HydrophobicContact CE2-CG2 3.91Å; F23-V66 HydrophobicContact CG-CG2 3.9Å; F23-Y73 AromaticContact CD2-CE1 3.78Å; F23-Y73 HydrophobicContact CD2-CE1 3.78Å; F23-Y73 AromaticContact CD2-CZ 3.93Å; F23-Y73 WeakPolarHBondContact CD2-OH 3.1Å; F23-Y73 AromaticContact CE2-CE1 3.66Å; F23-Y73 HydrophobicContact CE2-CE1 3.66Å; F23-Y73 AromaticContact CE2-CZ 3.91Å; F23-Y73 VanDerWaalsContact CE2-OH 3.29Å; F23-Y73 WeakPolarHBondContact CE2-OH 3.26Å; F23-L144 HydrophobicContact CD1-CD1 3.96Å; F23-L144 HydrophobicContact CD1-CD2 3.57Å; F23-L144 HydrophobicContact CD1-CG 4.24Å; F23-L144 HydrophobicContact CE1-CB 4.18Å; F23-L144 HydrophobicContact CE1-CD1 3.59Å; F23-L144 HydrophobicContact CE1-CD2 3.98Å; F23-L144 HydrophobicContact CE1-CG 4.14Å; F23-L144 HydrophobicContact CG-CD2 4.4Å; F23-L144 HydrophobicContact CZ-CD1 4.09Å
24T83.9Confident76.1Confident47 Ų4777.1 Ų77.129%0.28841%0.408SS..Hα-helixtrans-61.6-41.8-176.5-54.80000111.6F20 T21 L28F20-T24 PolarHBondContact O-N 3.48Å; F20-T24 PolarHBondContact O-OG1 2.85Å; T21-T24 PolarHBondContact O-N 3.29Å; T24-L28 WeakPolarHBondContact O-CB 3.16Å
25E83.1Confident77.3Confident146 Ų14670.7 Ų70.768%0.68240%0.399SS*.Hα-helixtrans-78.3-43-178.3-68.3-178.5165.500113.1T21 F23T21-E25 WeakPolarHBondContact O-CG 3.34Å; T21-E25 PolarHBondContact O-N 2.9Å; T21-E25 VanDerWaalsContact O-N 3.08Å; F23-E25 VanDerWaalsContact C-N 3.33Å; F23-E25 PolarHBondContact O-N 3.23Å
26S80.8Confident78.8Confident53 Ų5372.2 Ų72.237%0.37140%0.403SS..Hα-helixtrans-108.9-22.4-163.4-57.70000114.4W22W22-S26 VanDerWaalsContact O-CB 3.31Å; W22-S26 WeakPolarHBondContact O-CB 3.09Å; W22-S26 PolarHBondContact O-N 3.3Å
27Q85.6Confident80.3Confident12 Ų1264 Ų646%0.05637%0.366CS..THydrogen-bonded Turntrans-121.7-20.1-167.8-67.1-65-65.600114.4W22 F23 R29 S30 V31 Y73 Y96W22-Q27 HydrophobicContact CD2-CG 4.38Å; W22-Q27 HydrophobicContact CH2-CG 3.67Å; W22-Q27 HydrophobicContact CZ2-CG 3.43Å; W22-Q27 VanDerWaalsContact CZ2-CG 3.43Å; W22-Q27 HydrophobicContact CZ3-CG 4.21Å; F23-Q27 HydrophobicContact CD2-CB 3.75Å; F23-Q27 HydrophobicContact CE2-CB 4.01Å; F23-Q27 HydrophobicContact CG-CB 4.35Å; F23-Q27 CarbonylContact O-C 3.52Å; F23-Q27 WeakPolarHBondContact O-CA 3.38Å; F23-Q27 WeakPolarHBondContact O-CB 3.39Å; F23-Q27 PolarHBondContact O-N 3.29Å; Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 2.8Å; Q27-S30 PolarHBondContact O-N 2.81Å; Q27-V31 PolarHBondContact O-N 3.02Å; Q27-Y73 WeakPolarHBondContact CB-OH 3.34Å; Q27-Y73 HydrophobicContact CG-CE2 4.43Å; Q27-Y73 WeakPolarHBondContact CG-OH 3.38Å; Q27-Y73 PolarHBondContact OE1-OH 3.14Å; Q27-Y73 VanDerWaalsContact OE1-OH 3.09Å; Q27-Y96 PolarHBondContact OE1-OH 2.8Å
28L80.4Confident81.3Confident47 Ų4760.7 Ų60.725%0.24635%0.354CS..Hα-helixtrans-53.2-43.5-178.9-168.6126.3000112F23 T24 S30 V31 F32 L145F23-L28 HydrophobicContact CE1-CD1 4.37Å; F23-L28 PolarHBondContact O-N 3.14Å; T24-L28 WeakPolarHBondContact O-CB 3.16Å; L28-S30 PolarHBondContact O-N 3.04Å; L28-V31 PolarHBondContact O-N 3.34Å; L28-F32 HydrophobicContact CG-CD2 3.96Å; L28-F32 HydrophobicContact CG-CE2 4.41Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 VanDerWaalsContact O-CD2 3.26Å; L28-F32 WeakPolarHBondContact O-CD2 3.47Å; L28-F32 PolarHBondContact O-N 3.35Å; L28-L145 HydrophobicContact CD1-CD2 4.22Å
29R78.7Confident81.5Confident214 Ų21462.3 Ų62.381%0.80836%0.363SS*.Hα-helixtrans-66.7-33.5176.2-78.4-174.7155.7177.3-5114.1Q27 G33Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 2.8Å; R29-G33 WeakPolarHBondContact O-CA 3.31Å; R29-G33 PolarHBondContact O-N 2.71Å
30S78.9Confident81.9Confident81 Ų8162.3 Ų62.357%0.56636%0.361SS*.Hα-helixtrans-73.6-35.1-179.5-58.10000112Q27 L28Q27-S30 PolarHBondContact O-N 2.81Å; L28-S30 PolarHBondContact O-N 3.04Å
31V79Confident82.3Confident11 Ų1159 Ų597%0.06735%0.346CS..Hα-helixtrans-84.8-36.6-179.6179.90000112.1F23 Q27 L28 F41 L108F23-V31 HydrophobicContact CE2-CG2 4.01Å; F23-V31 HydrophobicContact CZ-CB 4.35Å; F23-V31 HydrophobicContact CZ-CG2 4.28Å; Q27-V31 PolarHBondContact O-N 3.02Å; L28-V31 PolarHBondContact O-N 3.34Å; V31-F41 HydrophobicContact CG1-CD1 3.93Å; V31-F41 HydrophobicContact CG1-CD2 4.32Å; V31-F41 HydrophobicContact CG1-CE1 3.92Å; V31-F41 HydrophobicContact CG1-CE2 4.32Å; V31-F41 HydrophobicContact CG1-CG 4.13Å; V31-F41 HydrophobicContact CG1-CZ 4.12Å; V31-L108 HydrophobicContact CG2-CD1 4.19Å
32F76.9Confident82.6Confident29 Ų2956.3 Ų56.313%0.12733%0.329CS..Hα-helixtrans-107.13.3-174.7-61.6-89000114.3F23 L28 N34 G35 V37 F41 Y141 L145F23-F32 AromaticContact CE1-CE2 3.94Å; F23-F32 HydrophobicContact CE1-CE2 3.94Å; F23-F32 AromaticContact CZ-CE2 3.76Å; F23-F32 HydrophobicContact CZ-CE2 3.76Å; L28-F32 HydrophobicContact CG-CD2 3.96Å; L28-F32 HydrophobicContact CG-CE2 4.41Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 VanDerWaalsContact O-CD2 3.26Å; L28-F32 WeakPolarHBondContact O-CD2 3.47Å; L28-F32 PolarHBondContact O-N 3.35Å; F32-N34 PolarHBondContact O-N 3.09Å; F32-N34 VanDerWaalsContact O-N 3.13Å; F32-G35 PolarHBondContact O-N 2.95Å; F32-V37 HydrophobicContact CD1-CG2 3.52Å; F32-V37 HydrophobicContact CE1-CB 4.25Å; F32-V37 HydrophobicContact CE1-CG1 3.93Å; F32-V37 HydrophobicContact CE1-CG2 3.32Å; F32-F41 HydrophobicContact CE2-CE1 4.31Å; F32-F41 HydrophobicContact CZ-CD1 4.47Å; F32-F41 AromaticContact CZ-CE1 3.99Å; F32-F41 HydrophobicContact CZ-CE1 3.99Å; F32-Y141 AromaticContact CE1-CD2 4Å; F32-Y141 HydrophobicContact CE1-CD2 4Å; F32-Y141 HydrophobicContact CE1-CG 4.27Å; F32-Y141 HydrophobicContact CZ-CD2 4.35Å; F32-Y141 HydrophobicContact CZ-CG 4.3Å; F32-L145 HydrophobicContact CD1-CD1 4.33Å; F32-L145 HydrophobicContact CD1-CD2 3.94Å; F32-L145 HydrophobicContact CD2-CD2 4.13Å; F32-L145 HydrophobicContact CE1-CD1 3.87Å; F32-L145 HydrophobicContact CE1-CD2 3.8Å; F32-L145 HydrophobicContact CE1-CG 4.08Å; F32-L145 HydrophobicContact CE2-CD2 3.98Å; F32-L145 HydrophobicContact CG-CD2 4.12Å; F32-L145 HydrophobicContact CZ-CD1 4.41Å; F32-L145 HydrophobicContact CZ-CD2 3.83Å; F32-L145 HydrophobicContact CZ-CG 4.16Å
33G66Low82.7Confident64 Ų6455.3 Ų55.366%0.6633%0.326SS*.THydrogen-bonded Turntrans-64.1-20.6-169.500000115.9R29R29-G33 WeakPolarHBondContact O-CA 3.31Å; R29-G33 PolarHBondContact O-N 2.71Å
34N69.6Low82.8Confident124 Ų12458 Ų5866%0.66334%0.34SS*.THydrogen-bonded Turntrans-94.13176.760.7-3.4000113.3F32 S36F32-N34 PolarHBondContact O-N 3.09Å; F32-N34 VanDerWaalsContact O-N 3.13Å; N34-S36 PolarHBondContact O-N 2.98Å; N34-S36 PolarHBondContact OD1-N 3.41Å; N34-S36 PolarHBondContact OD1-O 2.94Å
35G71.8Confident83.2Confident76 Ų7656.3 Ų56.378%0.78433%0.329SS*.SBendtrans74.42.1179.500000115.2F32F32-G35 PolarHBondContact O-N 2.95Å
36S80.3Confident83.7Confident77 Ų7752.2 Ų52.254%0.53831%0.314SS..  trans-128.1126.9177.2-171.90000110.4N34N34-S36 PolarHBondContact O-N 2.98Å; N34-S36 PolarHBondContact OD1-N 3.41Å; N34-S36 PolarHBondContact OD1-O 2.94Å
37V85.4Confident84.3Confident21 Ų2155.9 Ų55.913%0.12732%0.319CS..  trans-83.5129.7177.1-163.60000108.9F32 F41 Y141F32-V37 HydrophobicContact CD1-CG2 3.52Å; F32-V37 HydrophobicContact CE1-CB 4.25Å; F32-V37 HydrophobicContact CE1-CG1 3.93Å; F32-V37 HydrophobicContact CE1-CG2 3.32Å; V37-F41 HydrophobicContact CG1-CB 4.18Å; V37-F41 HydrophobicContact CG1-CD1 3.79Å; V37-F41 HydrophobicContact CG1-CG 4.44Å; V37-Y141 HydrophobicContact CB-CD1 4.3Å; V37-Y141 HydrophobicContact CB-CE1 3.74Å; V37-Y141 HydrophobicContact CB-CE2 4.34Å; V37-Y141 HydrophobicContact CG1-CD1 3.61Å; V37-Y141 HydrophobicContact CG1-CE1 3.52Å; V37-Y141 HydrophobicContact CG1-CG 4.23Å; V37-Y141 HydrophobicContact CG2-CD1 4.45Å; V37-Y141 HydrophobicContact CG2-CD2 4.2Å; V37-Y141 HydrophobicContact CG2-CE1 3.98Å; V37-Y141 HydrophobicContact CG2-CE2 3.65Å
38P89.6Confident84.7Confident25 Ų2561.7 Ų61.716%0.16235%0.345CS..  trans-63.7141.2174.8-20.732.4000111.7W40 F41P38-W40 HydrophobicContact CB-CD2 3.73Å; P38-W40 HydrophobicContact CB-CE3 4.34Å; P38-W40 HydrophobicContact CB-CG 4.14Å; P38-W40 HydrophobicContact CB-CH2 4.08Å; P38-W40 HydrophobicContact CB-CZ2 3.45Å; P38-W40 VanDerWaalsContact CB-CZ2 3.45Å; P38-W40 HydrophobicContact CB-CZ3 4.49Å; P38-W40 HydrophobicContact CG-CH2 3.9Å; P38-W40 HydrophobicContact CG-CZ2 3.5Å; P38-W40 PolarHBondContact O-N 3.07Å; P38-W40 VanDerWaalsContact O-N 3.16Å; P38-F41 WeakPolarHBondContact O-CB 3.4Å; P38-F41 PolarHBondContact O-N 3.08Å
39D90.8Very high85.3Confident118 Ų11861.5 Ų61.563%0.63135%0.345SS*.THydrogen-bonded Turntrans-60-30.3-177.7-58.7-18.9000113F41 A130 C131 G132D39-F41 PolarHBondContact O-N 3.39Å; D39-A130 HydrophobicContact CB-CB 4.43Å; D39-C131 VanDerWaalsContact O-O 3.11Å; D39-G132 WeakPolarHBondContact O-CA 3.33Å
40W93.5Very high86Confident16 Ų1651.3 Ų51.36%0.06131%0.307CS..THydrogen-bonded Turntrans-74.6-7.8177.249.5-102.4000113.5P38 H42 F62 L63 I64 L108 Q109 V112 A130P38-W40 HydrophobicContact CB-CD2 3.73Å; P38-W40 HydrophobicContact CB-CE3 4.34Å; P38-W40 HydrophobicContact CB-CG 4.14Å; P38-W40 HydrophobicContact CB-CH2 4.08Å; P38-W40 HydrophobicContact CB-CZ2 3.45Å; P38-W40 VanDerWaalsContact CB-CZ2 3.45Å; P38-W40 HydrophobicContact CB-CZ3 4.49Å; P38-W40 HydrophobicContact CG-CH2 3.9Å; P38-W40 HydrophobicContact CG-CZ2 3.5Å; P38-W40 PolarHBondContact O-N 3.07Å; P38-W40 VanDerWaalsContact O-N 3.16Å; W40-H42 PolarHBondContact O-CD2 3.41Å; W40-F62 HydrophobicContact CB-CD2 4.24Å; W40-F62 HydrophobicContact CB-CE2 3.58Å; W40-F62 HydrophobicContact CB-CZ 4.11Å; W40-F62 AromaticContact CG-CE2 3.93Å; W40-F62 HydrophobicContact CG-CE2 3.93Å; W40-F62 HydrophobicContact CG-CZ 4.37Å; W40-L63 CarbonylContact O-C 3.54Å; W40-L63 WeakPolarHBondContact O-CA 3.38Å; W40-I64 HydrophobicContact CE3-CB 3.76Å; W40-I64 HydrophobicContact CE3-CD1 3.74Å; W40-I64 HydrophobicContact CE3-CG1 3.87Å; W40-I64 HydrophobicContact CH2-CD1 4.5Å; W40-I64 HydrophobicContact CZ3-CB 3.96Å; W40-I64 HydrophobicContact CZ3-CD1 3.74Å; W40-I64 HydrophobicContact CZ3-CG1 4.21Å; W40-I64 HydrophobicContact CZ3-CG2 4.44Å; W40-I64 PolarHBondContact O-N 3.43Å; W40-L108 HydrophobicContact CH2-CB 3.54Å; W40-L108 HydrophobicContact CH2-CD1 4.35Å; W40-L108 HydrophobicContact CZ2-CB 4.42Å; W40-L108 HydrophobicContact CZ3-CB 4.13Å; W40-L108 HydrophobicContact CZ3-CD1 4.33Å; W40-Q109 HydrophobicContact CZ2-CB 4.34Å; W40-Q109 VanDerWaalsContact NE1-OE1 3.11Å; W40-V112 HydrophobicContact CD2-CG2 4.16Å; W40-V112 HydrophobicContact CZ2-CG2 4.33Å; W40-A130 HydrophobicContact CB-CB 3.72Å; W40-A130 HydrophobicContact CG-CB 4.45Å
41F93.3Very high86.8Confident0 Ų050 Ų500%029%0.292CS..BIsolated β-bridgetrans-95.8125.3-177.2-174.9-105.4000111.7F23 V31 F32 V37 P38 D39 V66 Y73 Q133 Y141 L144F23-F41 HydrophobicContact CE2-CE2 4.26Å; F23-F41 AromaticContact CE2-CZ 3.64Å; F23-F41 HydrophobicContact CE2-CZ 3.64Å; F23-F41 HydrophobicContact CZ-CE1 4.07Å; F23-F41 AromaticContact CZ-CZ 3.55Å; F23-F41 HydrophobicContact CZ-CZ 3.55Å; V31-F41 HydrophobicContact CG1-CD1 3.93Å; V31-F41 HydrophobicContact CG1-CD2 4.32Å; V31-F41 HydrophobicContact CG1-CE1 3.92Å; V31-F41 HydrophobicContact CG1-CE2 4.32Å; V31-F41 HydrophobicContact CG1-CG 4.13Å; V31-F41 HydrophobicContact CG1-CZ 4.12Å; F32-F41 HydrophobicContact CE2-CE1 4.31Å; F32-F41 HydrophobicContact CZ-CD1 4.47Å; F32-F41 AromaticContact CZ-CE1 3.99Å; F32-F41 HydrophobicContact CZ-CE1 3.99Å; V37-F41 HydrophobicContact CG1-CB 4.18Å; V37-F41 HydrophobicContact CG1-CD1 3.79Å; V37-F41 HydrophobicContact CG1-CG 4.44Å; P38-F41 WeakPolarHBondContact O-CB 3.4Å; P38-F41 PolarHBondContact O-N 3.08Å; D39-F41 PolarHBondContact O-N 3.39Å; F41-V66 HydrophobicContact CE2-CG2 4.45Å; F41-V66 HydrophobicContact CZ-CG2 4.2Å; F41-Y73 HydrophobicContact CE2-CD1 4.23Å; F41-Y73 AromaticContact CE2-CE1 3.88Å; F41-Y73 HydrophobicContact CE2-CE1 3.88Å; F41-Y73 HydrophobicContact CZ-CE1 4.49Å; F41-Q133 PolarHBondContact O-NE2 2.85Å; F41-Y141 HydrophobicContact CD1-CD1 4.48Å; F41-L144 HydrophobicContact CE1-CD1 4.3Å; F41-L144 HydrophobicContact CZ-CD1 4.33Å
42H91.8Very high87.5Confident0 Ų054.3 Ų54.30%031%0.311CS..  trans-115.77.4-176.1-72-109.9000114W40 I44 I45 R53 L63 I64 C131 D140W40-H42 PolarHBondContact O-CD2 3.41Å; H42-I44 PolarHBondContact O-N 3.01Å; H42-I45 HydrophobicContact CB-CD1 3.58Å; H42-I45 HydrophobicContact CB-CG1 3.88Å; H42-I45 HydrophobicContact CB-CG2 4.24Å; H42-I45 WeakPolarHBondContact O-CG2 3.4Å; H42-R53 PolarHBondContact CE1-NH1 3.31Å; H42-R53 VanDerWaalsContact CE1-NH1 3.34Å; H42-R53 PolarHBondContact ND1-NH1 3.11Å; H42-L63 VanDerWaalsContact CD2-CB 3.43Å; H42-L63 WeakPolarHBondContact CD2-CB 3.23Å; H42-I64 PolarHBondContact N-O 2.83Å; H42-C131 PolarHBondContact NE2-O 3.47Å; H42-D140 HydrophobicContact CB-CB 4.35Å; H42-D140 IonicContact CE1-OD2 3.39Å; H42-D140 IonicContact CG-OD2 2.91Å; H42-D140 IonicContact ND1-OD2 3.23Å; H42-D140 PolarHBondContact ND1-OD2 3.42Å; H42-D140 WeakPolarHBondContact O-CB 3.48Å
43G90.9Very high88.2Confident0 Ų054.8 Ų54.80%031%0.312CS..  trans62.1-138.9-178.100000112.9I45 R65 V66G43-I45 PolarHBondContact O-N 2.91Å; G43-R65 CarbonylContact O-C 3.5Å; G43-R65 WeakPolarHBondContact O-CA 3.4Å; G43-V66 PolarHBondContact O-N 3.26Å
44I89.2Confident89.5Confident57 Ų5751.8 Ų51.829%0.29228%0.281SS..SBendtrans-93.989.8-178.8-60.9162.2000108.9F20 H42 V66 L144F20-I44 HydrophobicContact CB-CD1 3.67Å; F20-I44 HydrophobicContact CD2-CD1 3.31Å; F20-I44 HydrophobicContact CE2-CD1 4.31Å; F20-I44 HydrophobicContact CG-CD1 3.94Å; H42-I44 PolarHBondContact O-N 3.01Å; I44-V66 HydrophobicContact CG1-CB 3.66Å; I44-V66 HydrophobicContact CG1-CG1 3.97Å; I44-V66 HydrophobicContact CG1-CG2 4.02Å; I44-L144 HydrophobicContact CD1-CD2 3.26Å; I44-L144 HydrophobicContact CD1-CG 4.16Å; I44-L144 HydrophobicContact CG1-CD1 4.35Å; I44-L144 HydrophobicContact CG1-CD2 3.81Å; I44-L144 HydrophobicContact CG1-CG 4.34Å
45I91.6Very high90.6Very high12 Ų1249.8 Ų49.86%0.06227%0.273CS..  trans-112.9149.5169.259.1163.7000110.3H42 G43 T49 A50 L63 R65 D140H42-I45 HydrophobicContact CB-CD1 3.58Å; H42-I45 HydrophobicContact CB-CG1 3.88Å; H42-I45 HydrophobicContact CB-CG2 4.24Å; H42-I45 WeakPolarHBondContact O-CG2 3.4Å; G43-I45 PolarHBondContact O-N 2.91Å; I45-T49 HydrophobicContact CB-CG2 4.22Å; I45-T49 HydrophobicContact CG2-CG2 4.39Å; I45-A50 HydrophobicContact CD1-CB 3.81Å; I45-L63 HydrophobicContact CD1-CD1 3.9Å; I45-L63 HydrophobicContact CD1-CD2 4.37Å; I45-R65 HydrophobicContact CD1-CB 4.29Å; I45-R65 HydrophobicContact CG1-CB 3.57Å; I45-R65 HydrophobicContact CG1-CG 4.35Å; I45-R65 WeakPolarHBondContact O-CD 3.5Å; I45-R65 PolarHBondContact O-NH1 2.98Å; I45-D140 HydrophobicContact CG2-CB 3.85Å
46T92.8Very high91.4Very high60 Ų6054.4 Ų54.437%0.36828%0.275SS..  trans-67.8156.1176.975.40000111.2K48 T49 A50 E68T46-K48 PolarHBondContact O-N 3.47Å; T46-K48 PolarHBondContact OG1-N 3.09Å; T46-T49 PolarHBondContact O-N 2.7Å; T46-T49 PolarHBondContact OG1-N 3.44Å; T46-T49 PolarHBondContact OG1-OG1 3.02Å; T46-A50 PolarHBondContact O-N 3.13Å; T46-E68 WeakPolarHBondContact CA-OE1 3.32Å; T46-E68 WeakPolarHBondContact CA-OE2 3.35Å; T46-E68 WeakPolarHBondContact CB-OE1 3.45Å; T46-E68 WeakPolarHBondContact CG2-OE1 3.21Å
47R94.4Very high91.9Very high129 Ų12954.5 Ų54.549%0.48727%0.265SS..Hα-helixtrans-50.4-46.5170-178178.7171.3170.5-1.1111.7T49 A50 E51 E68 H85R47-T49 PolarHBondContact O-N 3.39Å; R47-A50 WeakPolarHBondContact O-CB 3.25Å; R47-A50 PolarHBondContact O-N 3.15Å; R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 IonicContact CZ-OE1 2.6Å; R47-E51 IonicContact NE-OE1 3.47Å; R47-E51 PolarHBondContact NE-OE1 2.98Å; R47-E51 IonicContact NH2-OE1 3.03Å; R47-E51 PolarHBondContact NH2-OE1 3.33Å; R47-E51 WeakPolarHBondContact O-CG 3.24Å; R47-E51 PolarHBondContact O-N 2.79Å; R47-E68 PolarHBondContact N-OE2 3.06Å; R47-H85 PolarHBondContact NE-CD2 2.91Å; R47-H85 PolarHBondContact NE-NE2 2.98Å; R47-H85 PolarHBondContact NH2-CD2 3.24Å
48K93.7Very high92.2Very high135 Ų13556.9 Ų56.959%0.58728%0.281SS*.Hα-helixtrans-59.8-46.5-180-172.4-172.8-179.1-164.30111.6T46 A50 E51 E52T46-K48 PolarHBondContact O-N 3.47Å; T46-K48 PolarHBondContact OG1-N 3.09Å; K48-A50 VanDerWaalsContact C-N 3.29Å; K48-A50 PolarHBondContact O-N 3.3Å; K48-E51 PolarHBondContact O-N 3.16Å; K48-E52 WeakPolarHBondContact CE-OE1 3.46Å; K48-E52 IonicContact NZ-OE1 2.6Å; K48-E52 WeakPolarHBondContact O-CG 3.43Å; K48-E52 PolarHBondContact O-N 3.1Å
49T92.7Very high92.3Very high42 Ų4258.7 Ų58.726%0.25829%0.293SS..Hα-helixtrans-61.8-38.1177.5-540000112I45 T46 R47 R53I45-T49 HydrophobicContact CB-CG2 4.22Å; I45-T49 HydrophobicContact CG2-CG2 4.39Å; T46-T49 PolarHBondContact O-N 2.7Å; T46-T49 PolarHBondContact OG1-N 3.44Å; T46-T49 PolarHBondContact OG1-OG1 3.02Å; R47-T49 PolarHBondContact O-N 3.39Å; T49-R53 WeakPolarHBondContact O-CG 3.35Å; T49-R53 PolarHBondContact O-N 2.87Å
50A94.4Very high92.3Very high0 Ų053.1 Ų53.10%026%0.264CS..Hα-helixtrans-65.4-43.1174.900000112.1I45 T46 R47 K48 R53 L54 L63I45-A50 HydrophobicContact CD1-CB 3.81Å; T46-A50 PolarHBondContact O-N 3.13Å; R47-A50 WeakPolarHBondContact O-CB 3.25Å; R47-A50 PolarHBondContact O-N 3.15Å; K48-A50 VanDerWaalsContact C-N 3.29Å; K48-A50 PolarHBondContact O-N 3.3Å; A50-R53 PolarHBondContact O-N 2.91Å; A50-L54 WeakPolarHBondContact O-CB 3.44Å; A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 2.86Å; A50-L54 VanDerWaalsContact O-N 3.14Å; A50-L63 HydrophobicContact CB-CD1 3.9Å; A50-L63 HydrophobicContact CB-CD2 4.32Å
51E95.3Very high92.4Very high54 Ų5455.2 Ų55.225%0.25227%0.272SS..Hα-helixtrans-62.8-45.4176.5-70172.6173.300111.2R47 K48 R53 L54 T55 C83 H85R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 IonicContact CZ-OE1 2.6Å; R47-E51 IonicContact NE-OE1 3.47Å; R47-E51 PolarHBondContact NE-OE1 2.98Å; R47-E51 IonicContact NH2-OE1 3.03Å; R47-E51 PolarHBondContact NH2-OE1 3.33Å; R47-E51 WeakPolarHBondContact O-CG 3.24Å; R47-E51 PolarHBondContact O-N 2.79Å; K48-E51 PolarHBondContact O-N 3.16Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.93Å; E51-L54 PolarHBondContact O-N 3.39Å; E51-L54 VanDerWaalsContact O-N 3.15Å; E51-T55 WeakPolarHBondContact O-CB 3.48Å; E51-T55 PolarHBondContact O-N 2.73Å; E51-T55 PolarHBondContact O-OG1 2.85Å; E51-C83 HydrophobicContact CG-CB 3.83Å; E51-H85 IonicContact OE1-CD2 2.67Å; E51-H85 IonicContact OE1-CE1 3.5Å; E51-H85 IonicContact OE1-NE2 3.64Å; E51-H85 PolarHBondContact OE1-NE2 3.19Å
52E93.4Very high92.5Very high101 Ų10155.3 Ų55.347%0.47227%0.272SS..Hα-helixtrans-55.5-45.2176.4-73.8166.5177.700111.4K48 L54 T55K48-E52 WeakPolarHBondContact CE-OE1 3.46Å; K48-E52 IonicContact NZ-OE1 2.6Å; K48-E52 WeakPolarHBondContact O-CG 3.43Å; K48-E52 PolarHBondContact O-N 3.1Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 2.87Å; E52-T55 PolarHBondContact O-N 2.99Å
53R91.8Very high92.7Very high39 Ų3955.3 Ų55.315%0.14727%0.272CS..Hα-helixtrans-67.2-32.8178.7-71.8-169.3179.9-157.68.7114.2H42 T49 A50 E51 K57 L63 D140H42-R53 PolarHBondContact CE1-NH1 3.31Å; H42-R53 VanDerWaalsContact CE1-NH1 3.34Å; H42-R53 PolarHBondContact ND1-NH1 3.11Å; T49-R53 WeakPolarHBondContact O-CG 3.35Å; T49-R53 PolarHBondContact O-N 2.87Å; A50-R53 PolarHBondContact O-N 2.91Å; E51-R53 VanDerWaalsContact C-N 3.31Å; E51-R53 PolarHBondContact O-N 2.93Å; R53-K57 WeakPolarHBondContact O-CG 3.47Å; R53-L63 HydrophobicContact CB-CD2 4.35Å; R53-D140 IonicContact CZ-OD1 2.83Å; R53-D140 IonicContact CZ-OD2 3.99Å; R53-D140 IonicContact NE-OD2 3.5Å; R53-D140 IonicContact NH1-OD1 3.3Å; R53-D140 IonicContact NH1-OD2 2.79Å; R53-D140 PolarHBondContact NH1-OD2 2.89Å; R53-D140 IonicContact NH2-OD1 2.76Å; R53-D140 PolarHBondContact NH2-OD1 3.35Å; R53-D140 IonicContact NH2-OD2 3.45Å; R53-D140 PolarHBondContact NH2-OD2 2.75Å
54L93.7Very high93Very high1 Ų155.3 Ų55.31%0.00527%0.272CS..Hα-helixtrans-86.8-22.5-179.1-72.2174.3000112.6A50 E51 E52 E56 K57 L63 R78 C131A50-L54 WeakPolarHBondContact O-CB 3.44Å; A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 2.86Å; A50-L54 VanDerWaalsContact O-N 3.14Å; E51-L54 PolarHBondContact O-N 3.39Å; E51-L54 VanDerWaalsContact O-N 3.15Å; E52-L54 VanDerWaalsContact C-N 3.34Å; E52-L54 PolarHBondContact O-N 2.87Å; L54-E56 VanDerWaalsContact C-N 3.32Å; L54-E56 PolarHBondContact O-N 3.25Å; L54-K57 PolarHBondContact O-N 2.93Å; L54-K57 VanDerWaalsContact O-N 3.1Å; L54-L63 HydrophobicContact CD1-CD2 4.27Å; L54-L63 HydrophobicContact CD1-CG 4.24Å; L54-L63 HydrophobicContact CD2-CD2 4.39Å; L54-L63 HydrophobicContact CG-CD2 4.06Å; L54-L63 HydrophobicContact CG-CG 4.5Å; L54-R78 HydrophobicContact CB-CB 4.18Å; L54-R78 HydrophobicContact CD2-CB 4.3Å; L54-R78 WeakPolarHBondContact O-CD 3.29Å; L54-C131 HydrophobicContact CD2-CB 3.89Å
55T91.6Very high93.2Very high82 Ų8253.2 Ų53.250%0.50326%0.261SS..Hα-helixtrans-64.4-36.7-177.2-64.40000112.4E51 E52 K57E51-T55 WeakPolarHBondContact O-CB 3.48Å; E51-T55 PolarHBondContact O-N 2.73Å; E51-T55 PolarHBondContact O-OG1 2.85Å; E52-T55 PolarHBondContact O-N 2.99Å; T55-K57 PolarHBondContact O-N 3.47Å
56E88.6Confident93.3Very high174 Ų17452.7 Ų52.781%0.81326%0.258SS*.THydrogen-bonded Turntrans-80.2-1.5177.7-61.4-179.5176.400113.3L54L54-E56 VanDerWaalsContact C-N 3.32Å; L54-E56 PolarHBondContact O-N 3.25Å
57K91.5Very high93.3Very high79 Ų7950 Ų5034%0.34324%0.241SC..SBendtrans-105.4154.2-173.3-60.2-60.4-178.1-171.40112.2R53 L54 T55 Y61R53-K57 WeakPolarHBondContact O-CG 3.47Å; L54-K57 PolarHBondContact O-N 2.93Å; L54-K57 VanDerWaalsContact O-N 3.1Å; T55-K57 PolarHBondContact O-N 3.47Å; K57-Y61 HydrophobicContact CB-CD1 3.82Å; K57-Y61 HydrophobicContact CB-CD2 4.13Å; K57-Y61 HydrophobicContact CB-CE1 4.41Å; K57-Y61 HydrophobicContact CB-CG 3.65Å; K57-Y61 HydrophobicContact CD-CD1 4.02Å; K57-Y61 HydrophobicContact CD-CE1 3.93Å; K57-Y61 HydrophobicContact CG-CD1 3.82Å; K57-Y61 HydrophobicContact CG-CE1 4.26Å; K57-Y61 HydrophobicContact CG-CG 4.18Å
58P91.9Very high93Very high71 Ų7148.3 Ų48.346%0.46124%0.239SC..  trans-59.8155.9171.3-1828000112.3Y61P58-Y61 HydrophobicContact CB-CD2 4.21Å; P58-Y61 HydrophobicContact CB-CE2 4.17Å; P58-Y61 HydrophobicContact CG-CD2 4.23Å; P58-Y61 HydrophobicContact CG-CE2 3.79Å; P58-Y61 VanDerWaalsContact O-CD2 3.29Å; P58-Y61 WeakPolarHBondContact O-CD2 3.44Å; P58-Y61 PolarHBondContact O-N 3.22Å
59P91.9Very high92.5Very high62 Ų6246.5 Ų46.540%0.40324%0.243SC..THydrogen-bonded Turntrans-52142.3166.7-24.935.7000111.7R78 D80P59-R78 WeakPolarHBondContact CA-O 3.28Å; P59-D80 WeakPolarHBondContact CG-OD1 3.44Å
60G90.8Very high92.3Very high2 Ų250.4 Ų50.42%0.02125%0.253CS..THydrogen-bonded Turntrans99.8-16-176.800000114.7Y77 R78 T128 V129G60-Y77 VanDerWaalsContact CA-CE2 3.46Å; G60-Y77 WeakPolarHBondContact CA-OH 3.25Å; G60-Y77 PolarHBondContact N-OH 3.35Å; G60-R78 PolarHBondContact N-O 3.04Å; G60-T128 WeakPolarHBondContact CA-OG1 3.4Å; G60-T128 PolarHBondContact O-N 2.92Å; G60-T128 PolarHBondContact O-OG1 3.47Å; G60-V129 PolarHBondContact O-N 3.15Å
61Y94.9Very high92.1Very high59 Ų5952.9 Ų52.923%0.23127%0.269CS..EExtended strand (participates in β ladder)trans-69.7142.5175.3-86.8-113.9000111.3K57 P58 R78 V129 C131K57-Y61 HydrophobicContact CB-CD1 3.82Å; K57-Y61 HydrophobicContact CB-CD2 4.13Å; K57-Y61 HydrophobicContact CB-CE1 4.41Å; K57-Y61 HydrophobicContact CB-CG 3.65Å; K57-Y61 HydrophobicContact CD-CD1 4.02Å; K57-Y61 HydrophobicContact CD-CE1 3.93Å; K57-Y61 HydrophobicContact CG-CD1 3.82Å; K57-Y61 HydrophobicContact CG-CE1 4.26Å; K57-Y61 HydrophobicContact CG-CG 4.18Å; P58-Y61 HydrophobicContact CB-CD2 4.21Å; P58-Y61 HydrophobicContact CB-CE2 4.17Å; P58-Y61 HydrophobicContact CG-CD2 4.23Å; P58-Y61 HydrophobicContact CG-CE2 3.79Å; P58-Y61 VanDerWaalsContact O-CD2 3.29Å; P58-Y61 WeakPolarHBondContact O-CD2 3.44Å; P58-Y61 PolarHBondContact O-N 3.22Å; Y61-R78 PolarHBondContact O-N 3.36Å; Y61-V129 CarbonylContact C-O 3.54Å; Y61-V129 VanDerWaalsContact CA-O 3.26Å; Y61-V129 WeakPolarHBondContact CA-O 3.34Å; Y61-V129 HydrophobicContact CD1-CB 4.21Å; Y61-V129 HydrophobicContact CD1-CG1 4.11Å; Y61-V129 HydrophobicContact CD2-CB 3.92Å; Y61-V129 HydrophobicContact CD2-CG1 4.48Å; Y61-V129 HydrophobicContact CD2-CG2 4.44Å; Y61-V129 HydrophobicContact CE1-CB 4.04Å; Y61-V129 HydrophobicContact CE1-CG1 3.57Å; Y61-V129 HydrophobicContact CE2-CB 3.72Å; Y61-V129 HydrophobicContact CE2-CG1 3.97Å; Y61-V129 HydrophobicContact CE2-CG2 3.99Å; Y61-V129 HydrophobicContact CG-CB 4.17Å; Y61-V129 VanDerWaalsContact CZ-CG1 3.5Å; Y61-C131 HydrophobicContact CD1-CB 4.24Å
62F96.2Very high92Very high2 Ų250.3 Ų50.31%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-145.8160.8-178.574.1-83.7000113.1W40 L75 S76 Y77 V112 L127 V129 A130 C131W40-F62 HydrophobicContact CB-CD2 4.24Å; W40-F62 HydrophobicContact CB-CE2 3.58Å; W40-F62 HydrophobicContact CB-CZ 4.11Å; W40-F62 AromaticContact CG-CE2 3.93Å; W40-F62 HydrophobicContact CG-CE2 3.93Å; W40-F62 HydrophobicContact CG-CZ 4.37Å; F62-L75 HydrophobicContact CB-CD1 4.06Å; F62-L75 HydrophobicContact CD2-CD1 3.75Å; F62-L75 HydrophobicContact CG-CD1 4.28Å; F62-S76 CarbonylContact C-O 3.53Å; F62-S76 VanDerWaalsContact CA-O 3.28Å; F62-S76 WeakPolarHBondContact CA-O 3.48Å; F62-Y77 HydrophobicContact CB-CD2 4.09Å; F62-V112 HydrophobicContact CE2-CG1 3.76Å; F62-V112 HydrophobicContact CE2-CG2 3.92Å; F62-V112 HydrophobicContact CZ-CG1 3.47Å; F62-V112 VanDerWaalsContact CZ-CG1 3.47Å; F62-V112 HydrophobicContact CZ-CG2 4.49Å; F62-L127 HydrophobicContact CB-CD2 3.86Å; F62-L127 HydrophobicContact CD1-CB 3.67Å; F62-L127 HydrophobicContact CD1-CD2 4.2Å; F62-L127 HydrophobicContact CD1-CG 4.35Å; F62-L127 HydrophobicContact CD2-CD1 4.09Å; F62-L127 HydrophobicContact CD2-CD2 4.41Å; F62-L127 HydrophobicContact CE1-CB 3.75Å; F62-L127 HydrophobicContact CE2-CD1 4.18Å; F62-L127 HydrophobicContact CG-CB 4.15Å; F62-L127 HydrophobicContact CG-CD1 4.3Å; F62-L127 HydrophobicContact CG-CD2 3.9Å; F62-L127 HydrophobicContact CG-CG 4.33Å; F62-L127 HydrophobicContact CZ-CB 4.28Å; F62-L127 HydrophobicContact CZ-CD1 4.47Å; F62-V129 WeakPolarHBondContact CD1-O 3.45Å; F62-V129 VanDerWaalsContact CE1-C 3.43Å; F62-V129 WeakPolarHBondContact CE1-O 3.42Å; F62-V129 PolarHBondContact N-O 3.39Å; F62-A130 HydrophobicContact CE1-CB 4.4Å; F62-A130 HydrophobicContact CZ-CB 4.21Å; F62-C131 WeakPolarHBondContact O-CB 3.37Å; F62-C131 PolarHBondContact O-N 3.1Å
63L95.8Very high92.1Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-148.2157169.962.584.2000111.3W40 H42 I45 A50 R53 L54 R65 S76 C131W40-L63 CarbonylContact O-C 3.54Å; W40-L63 WeakPolarHBondContact O-CA 3.38Å; H42-L63 VanDerWaalsContact CD2-CB 3.43Å; H42-L63 WeakPolarHBondContact CD2-CB 3.23Å; I45-L63 HydrophobicContact CD1-CD1 3.9Å; I45-L63 HydrophobicContact CD1-CD2 4.37Å; A50-L63 HydrophobicContact CB-CD1 3.9Å; A50-L63 HydrophobicContact CB-CD2 4.32Å; R53-L63 HydrophobicContact CB-CD2 4.35Å; L54-L63 HydrophobicContact CD1-CD2 4.27Å; L54-L63 HydrophobicContact CD1-CG 4.24Å; L54-L63 HydrophobicContact CD2-CD2 4.39Å; L54-L63 HydrophobicContact CG-CD2 4.06Å; L54-L63 HydrophobicContact CG-CG 4.5Å; L63-R65 HydrophobicContact CD1-CB 4.36Å; L63-S76 PolarHBondContact N-O 3.01Å; L63-S76 PolarHBondContact O-N 3.39Å; L63-C131 HydrophobicContact CB-CB 4.3Å; L63-C131 HydrophobicContact CD2-CB 4.37Å
64I95.9Very high92.3Very high0 Ų043.9 Ų43.90%023%0.229CC..EExtended strand (participates in β ladder)trans-114.6130.2173.4-58.6-177.6000108.8W40 H42 Y73 T74 L75 I88 V112W40-I64 HydrophobicContact CE3-CB 3.76Å; W40-I64 HydrophobicContact CE3-CD1 3.74Å; W40-I64 HydrophobicContact CE3-CG1 3.87Å; W40-I64 HydrophobicContact CH2-CD1 4.5Å; W40-I64 HydrophobicContact CZ3-CB 3.96Å; W40-I64 HydrophobicContact CZ3-CD1 3.74Å; W40-I64 HydrophobicContact CZ3-CG1 4.21Å; W40-I64 HydrophobicContact CZ3-CG2 4.44Å; W40-I64 PolarHBondContact O-N 3.43Å; H42-I64 PolarHBondContact N-O 2.83Å; I64-Y73 HydrophobicContact CG2-CD1 4.14Å; I64-Y73 HydrophobicContact CG2-CG 4.28Å; I64-T74 WeakPolarHBondContact CA-O 3.08Å; I64-L75 HydrophobicContact CD1-CD1 4.47Å; I64-L75 HydrophobicContact CG1-CB 4.43Å; I64-L75 HydrophobicContact CG1-CD1 3.87Å; I64-I88 HydrophobicContact CD1-CD1 4.15Å; I64-I88 HydrophobicContact CG2-CD1 4.4Å; I64-V112 HydrophobicContact CD1-CG2 3.65Å
65R95.3Very high92.4Very high14 Ų1443.9 Ų43.95%0.05323%0.228CC..EExtended strand (participates in β ladder)trans-124.7156.9176.365.7-170.7-176.493.70.3110.3G43 I45 L63 E68 Y73 T74 S76G43-R65 CarbonylContact O-C 3.5Å; G43-R65 WeakPolarHBondContact O-CA 3.4Å; I45-R65 HydrophobicContact CD1-CB 4.29Å; I45-R65 HydrophobicContact CG1-CB 3.57Å; I45-R65 HydrophobicContact CG1-CG 4.35Å; I45-R65 WeakPolarHBondContact O-CD 3.5Å; I45-R65 PolarHBondContact O-NH1 2.98Å; L63-R65 HydrophobicContact CD1-CB 4.36Å; R65-E68 IonicContact CZ-OE2 2.64Å; R65-E68 IonicContact NH1-OE2 2.84Å; R65-E68 PolarHBondContact NH1-OE2 3.07Å; R65-Y73 CarbonylContact O-C 3.52Å; R65-Y73 VanDerWaalsContact O-CA 3.31Å; R65-Y73 WeakPolarHBondContact O-CA 3.47Å; R65-Y73 WeakPolarHBondContact O-CB 3.41Å; R65-T74 PolarHBondContact N-O 3.42Å; R65-T74 PolarHBondContact O-N 2.78Å; R65-S76 PolarHBondContact NE-OG 3.43Å
66V93.8Very high92.6Very high1 Ų140 Ų401%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-68.3135.9167.5-179.50000108.2P19 W22 F23 F41 G43 I44 Y73P19-V66 HydrophobicContact CB-CG1 4.21Å; W22-V66 HydrophobicContact CZ3-CG1 4.45Å; F23-V66 HydrophobicContact CB-CG1 4.3Å; F23-V66 HydrophobicContact CB-CG2 4.39Å; F23-V66 HydrophobicContact CD2-CG2 3.51Å; F23-V66 HydrophobicContact CE2-CG2 3.91Å; F23-V66 HydrophobicContact CG-CG2 3.9Å; F41-V66 HydrophobicContact CE2-CG2 4.45Å; F41-V66 HydrophobicContact CZ-CG2 4.2Å; G43-V66 PolarHBondContact O-N 3.26Å; I44-V66 HydrophobicContact CG1-CB 3.66Å; I44-V66 HydrophobicContact CG1-CG1 3.97Å; I44-V66 HydrophobicContact CG1-CG2 4.02Å; V66-Y73 HydrophobicContact CG2-CD1 4.16Å; V66-Y73 HydrophobicContact CG2-CE1 3.97Å
67S91.9Very high92.9Very high2 Ų232.3 Ų32.31%0.01417%0.168CC..  trans-70138.6-179.2158.70000110.9P19 R70 G72P19-S67 WeakPolarHBondContact CB-O 3.3Å; P19-S67 VanDerWaalsContact CG-O 3.31Å; P19-S67 WeakPolarHBondContact CG-O 3.29Å; S67-R70 WeakPolarHBondContact CB-O 3.04Å; S67-R70 PolarHBondContact OG-N 3.14Å; S67-R70 PolarHBondContact OG-O 2.82Å; S67-G72 WeakPolarHBondContact CB-O 3.39Å; S67-G72 PolarHBondContact N-O 2.71Å
68E87.3Confident93.1Very high94 Ų9430.3 Ų30.344%0.43916%0.158SC..SBendtrans-83.6-29.9179.8-66.9165.297.500112.8T46 R47 R65T46-E68 WeakPolarHBondContact CA-OE1 3.32Å; T46-E68 WeakPolarHBondContact CA-OE2 3.35Å; T46-E68 WeakPolarHBondContact CB-OE1 3.45Å; T46-E68 WeakPolarHBondContact CG2-OE1 3.21Å; R47-E68 PolarHBondContact N-OE2 3.06Å; R65-E68 IonicContact CZ-OE2 2.64Å; R65-E68 IonicContact NH1-OE2 2.84Å; R65-E68 PolarHBondContact NH1-OE2 3.07Å
69S84.1Confident93Very high97 Ų9728 Ų2868%0.67814%0.142SC*.SBendtrans-96.7-23.3-169.557.40000113.9
70R88.6Confident92.8Very high124 Ų12430.5 Ų30.547%0.46815%0.152SC..SBendtrans-153.8157.4-178.659.6-179.3162.1-162.3-5.5111.1S67 G72 M87S67-R70 WeakPolarHBondContact CB-O 3.04Å; S67-R70 PolarHBondContact OG-N 3.14Å; S67-R70 PolarHBondContact OG-O 2.82Å; R70-G72 PolarHBondContact O-N 3.07Å; R70-M87 HydrophobicContact CG-CE 4.21Å; R70-M87 HydrophobicContact CG-SD 3.92Å; R70-M87 VanDerWaalsContact NE-CE 3.28Å; R70-M87 PolarHBondContact NE-SD 2.76Å; R70-M87 VanDerWaalsContact NH2-CG 3.34Å
71V90.1Very high92.5Very high53 Ų5338.9 Ų38.932%0.32119%0.19SC..SBendtrans-53.8124170.4167.80000110.1K17 W22K17-V71 HydrophobicContact CB-CG2 4.04Å; K17-V71 WeakPolarHBondContact O-CG2 3.43Å; W22-V71 HydrophobicContact CB-CG1 4.44Å; W22-V71 HydrophobicContact CB-CG2 4.02Å; W22-V71 HydrophobicContact CD2-CB 4.38Å; W22-V71 HydrophobicContact CD2-CG1 3.52Å; W22-V71 VanDerWaalsContact CE2-CG1 3.4Å; W22-V71 HydrophobicContact CE3-CG1 4.2Å; W22-V71 HydrophobicContact CG-CB 4.34Å; W22-V71 HydrophobicContact CG-CG1 3.58Å; W22-V71 HydrophobicContact CG-CG2 4.04Å; W22-V71 HydrophobicContact CZ2-CG1 3.95Å
72G93.3Very high92.3Very high0 Ų039.9 Ų39.90%020%0.197CC..SBendtrans138.8-168.5-176.300000112.6W22 S67 R70 I88W22-G72 VanDerWaalsContact CH2-CA 3.46Å; W22-G72 WeakPolarHBondContact CZ3-O 3.44Å; S67-G72 WeakPolarHBondContact CB-O 3.39Å; S67-G72 PolarHBondContact N-O 2.71Å; R70-G72 PolarHBondContact O-N 3.07Å; G72-I88 WeakPolarHBondContact CA-O 3.4Å
73Y95.4Very high92.2Very high0 Ų040.7 Ų40.70%020%0.203CC..EExtended strand (participates in β ladder)trans-119167.4175.8-57.3-90.3000111.2W22 F23 Q27 F41 I64 R65 V66 I88 V90 Y96 L108W22-Y73 AromaticContact CH2-CD2 3.97Å; W22-Y73 HydrophobicContact CH2-CD2 3.97Å; W22-Y73 AromaticContact CH2-CE2 3.49Å; W22-Y73 HydrophobicContact CH2-CE2 3.49Å; W22-Y73 VanDerWaalsContact CH2-CE2 3.49Å; W22-Y73 AromaticContact CH2-CZ 3.94Å; W22-Y73 HydrophobicContact CZ2-CE2 4.41Å; W22-Y73 HydrophobicContact CZ3-CE2 4.2Å; F23-Y73 AromaticContact CD2-CE1 3.78Å; F23-Y73 HydrophobicContact CD2-CE1 3.78Å; F23-Y73 AromaticContact CD2-CZ 3.93Å; F23-Y73 WeakPolarHBondContact CD2-OH 3.1Å; F23-Y73 AromaticContact CE2-CE1 3.66Å; F23-Y73 HydrophobicContact CE2-CE1 3.66Å; F23-Y73 AromaticContact CE2-CZ 3.91Å; F23-Y73 VanDerWaalsContact CE2-OH 3.29Å; F23-Y73 WeakPolarHBondContact CE2-OH 3.26Å; Q27-Y73 WeakPolarHBondContact CB-OH 3.34Å; Q27-Y73 HydrophobicContact CG-CE2 4.43Å; Q27-Y73 WeakPolarHBondContact CG-OH 3.38Å; Q27-Y73 PolarHBondContact OE1-OH 3.14Å; Q27-Y73 VanDerWaalsContact OE1-OH 3.09Å; F41-Y73 HydrophobicContact CE2-CD1 4.23Å; F41-Y73 AromaticContact CE2-CE1 3.88Å; F41-Y73 HydrophobicContact CE2-CE1 3.88Å; F41-Y73 HydrophobicContact CZ-CE1 4.49Å; I64-Y73 HydrophobicContact CG2-CD1 4.14Å; I64-Y73 HydrophobicContact CG2-CG 4.28Å; R65-Y73 CarbonylContact O-C 3.52Å; R65-Y73 VanDerWaalsContact O-CA 3.31Å; R65-Y73 WeakPolarHBondContact O-CA 3.47Å; R65-Y73 WeakPolarHBondContact O-CB 3.41Å; V66-Y73 HydrophobicContact CG2-CD1 4.16Å; V66-Y73 HydrophobicContact CG2-CE1 3.97Å; Y73-I88 PolarHBondContact N-O 3.37Å; Y73-I88 PolarHBondContact O-N 3.45Å; Y73-V90 HydrophobicContact CD2-CG2 4.19Å; Y73-V90 HydrophobicContact CE2-CG2 3.94Å; Y73-Y96 HydrophobicContact CD2-CD1 4.45Å; Y73-Y96 HydrophobicContact CD2-CE1 4.36Å; Y73-Y96 HydrophobicContact CE2-CD1 4.33Å; Y73-Y96 AromaticContact CE2-CE1 3.79Å; Y73-Y96 HydrophobicContact CE2-CE1 3.79Å; Y73-L108 HydrophobicContact CD1-CD1 4.23Å; Y73-L108 HydrophobicContact CD2-CD1 4.21Å; Y73-L108 HydrophobicContact CD2-CD2 4.13Å; Y73-L108 HydrophobicContact CE1-CD1 3.98Å; Y73-L108 HydrophobicContact CE2-CD1 3.97Å; Y73-L108 HydrophobicContact CE2-CD2 4.47Å; Y73-L108 HydrophobicContact CG-CD1 4.32Å; Y73-L108 HydrophobicContact CG-CD2 4.46Å
74T96.3Very high92.1Very high5 Ų543.1 Ų43.13%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-130.5124.8170.4-60.10000109I64 R65 H85 F86 M87I64-T74 WeakPolarHBondContact CA-O 3.08Å; R65-T74 PolarHBondContact N-O 3.42Å; R65-T74 PolarHBondContact O-N 2.78Å; T74-H85 HydrophobicContact CG2-CB 3.85Å; T74-F86 CarbonylContact C-O 3.57Å; T74-F86 VanDerWaalsContact CA-O 3.27Å; T74-F86 WeakPolarHBondContact CA-O 3.47Å; T74-M87 WeakPolarHBondContact OG1-CE 3.34Å
75L95.7Very high92Very high0 Ų045.3 Ų45.30%022%0.222CC..EExtended strand (participates in β ladder)trans-86111.9168.2169.165.9000108.1F62 I64 H85 F86 I88 I98 L127F62-L75 HydrophobicContact CB-CD1 4.06Å; F62-L75 HydrophobicContact CD2-CD1 3.75Å; F62-L75 HydrophobicContact CG-CD1 4.28Å; I64-L75 HydrophobicContact CD1-CD1 4.47Å; I64-L75 HydrophobicContact CG1-CB 4.43Å; I64-L75 HydrophobicContact CG1-CD1 3.87Å; L75-H85 CarbonylContact O-C 3.5Å; L75-H85 VanDerWaalsContact O-CA 3.32Å; L75-H85 WeakPolarHBondContact O-CA 3.13Å; L75-F86 HydrophobicContact CB-CB 4.27Å; L75-F86 HydrophobicContact CD2-CD2 4.08Å; L75-F86 HydrophobicContact CG-CD2 4.25Å; L75-F86 PolarHBondContact N-O 2.77Å; L75-F86 PolarHBondContact O-N 2.67Å; L75-I88 HydrophobicContact CB-CD1 3.89Å; L75-I88 HydrophobicContact CB-CG1 4.48Å; L75-I98 HydrophobicContact CD2-CD1 4.07Å; L75-L127 HydrophobicContact CD1-CD1 4.15Å; L75-L127 HydrophobicContact CD1-CD2 4.15Å; L75-L127 HydrophobicContact CD2-CD1 4.11Å; L75-L127 HydrophobicContact CD2-CD2 4.12Å
76S96.1Very high92Very high0 Ų045.7 Ų45.70%022%0.224CC..EExtended strand (participates in β ladder)trans-97131.8172.4-56.60000108.8F62 L63 R65 R84 H85F62-S76 CarbonylContact C-O 3.53Å; F62-S76 VanDerWaalsContact CA-O 3.28Å; F62-S76 WeakPolarHBondContact CA-O 3.48Å; L63-S76 PolarHBondContact N-O 3.01Å; L63-S76 PolarHBondContact O-N 3.39Å; R65-S76 PolarHBondContact NE-OG 3.43Å; S76-R84 CarbonylContact C-O 3.52Å; S76-R84 VanDerWaalsContact CA-O 3.32Å; S76-R84 WeakPolarHBondContact CA-O 3.19Å; S76-H85 PolarHBondContact OG-CE1 3.28Å; S76-H85 PolarHBondContact OG-ND1 2.77Å
77Y95Very high92Very high13 Ų1347 Ų475%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-137.3136-171.9167.5-86.8000110.7G60 F62 E79 C83 R84 Q125 V126 L127G60-Y77 VanDerWaalsContact CA-CE2 3.46Å; G60-Y77 WeakPolarHBondContact CA-OH 3.25Å; G60-Y77 PolarHBondContact N-OH 3.35Å; F62-Y77 HydrophobicContact CB-CD2 4.09Å; Y77-E79 HydrophobicContact CE1-CB 4.06Å; Y77-C83 CarbonylContact O-C 3.5Å; Y77-C83 WeakPolarHBondContact O-CA 3.45Å; Y77-C83 PolarHBondContact O-SG 3.34Å; Y77-R84 PolarHBondContact N-O 2.83Å; Y77-R84 PolarHBondContact O-N 3.37Å; Y77-Q125 HydrophobicContact CE1-CB 4.17Å; Y77-Q125 HydrophobicContact CE1-CG 4.43Å; Y77-Q125 VanDerWaalsContact CZ-OE1 3.26Å; Y77-Q125 PolarHBondContact OH-OE1 3.04Å; Y77-V126 WeakPolarHBondContact CE2-O 3.26Å; Y77-L127 HydrophobicContact CD2-CD2 3.64Å; Y77-L127 HydrophobicContact CE2-CD2 4.26Å; Y77-L127 HydrophobicContact CG-CD2 4.46Å
78R94.4Very high92.2Very high37 Ų3746.9 Ų46.914%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-85.2116.4176.9-178.658.4-167.9-169.610.2110.7L54 P59 G60 Y61 D80L54-R78 HydrophobicContact CB-CB 4.18Å; L54-R78 HydrophobicContact CD2-CB 4.3Å; L54-R78 WeakPolarHBondContact O-CD 3.29Å; P59-R78 WeakPolarHBondContact CA-O 3.28Å; G60-R78 PolarHBondContact N-O 3.04Å; Y61-R78 PolarHBondContact O-N 3.36Å; R78-D80 PolarHBondContact NH2-O 2.67Å
79E90.4Very high92.5Very high23 Ų2345 Ų4511%0.10722%0.222CC..  trans-97.8-179.2164.9-172.5171.4-149.400110Y77 E81 H82 R84 Q125Y77-E79 HydrophobicContact CE1-CB 4.06Å; E79-E81 PolarHBondContact O-N 2.64Å; E79-H82 WeakPolarHBondContact CB-O 3.31Å; E79-H82 PolarHBondContact N-O 3.23Å; E79-H82 IonicContact OE2-CD2 3.14Å; E79-H82 PolarHBondContact OE2-CD2 2.78Å; E79-H82 IonicContact OE2-CE1 3.99Å; E79-H82 PolarHBondContact OE2-CE1 2.84Å; E79-H82 IonicContact OE2-ND1 3.76Å; E79-H82 IonicContact OE2-NE2 2.86Å; E79-H82 PolarHBondContact OE2-NE2 2.92Å; E79-R84 VanDerWaalsContact CD-NE 3.29Å; E79-R84 IonicContact OE1-CZ 3.72Å; E79-R84 IonicContact OE1-NE 3.5Å; E79-R84 PolarHBondContact OE1-NE 2.76Å; E79-R84 IonicContact OE1-NH2 2.78Å; E79-R84 PolarHBondContact OE1-NH2 3.33Å; E79-R84 IonicContact OE2-CZ 3.75Å; E79-R84 IonicContact OE2-NE 3.86Å; E79-R84 PolarHBondContact OE2-NE 3.3Å; E79-R84 IonicContact OE2-NH2 3.92Å; E79-R84 PolarHBondContact OE2-NH2 3.47Å; E79-Q125 PolarHBondContact OE1-NE2 3.23Å
80D87Confident92.9Very high115 Ų11542.3 Ų42.362%0.61520%0.202SC*.SBendtrans-49.5-58.6-178.5-62-38.7000112.9P59 R78P59-D80 WeakPolarHBondContact CG-OD1 3.44Å; R78-D80 PolarHBondContact NH2-O 2.67Å
81E85.9Confident93.1Very high177 Ų17739.5 Ų39.583%0.82720%0.196SC*.SBendtrans-106.1-23-172.9-63.7-171.5163.800114E79E79-E81 PolarHBondContact O-N 2.64Å
82H90Very high93Very high81 Ų8146.5 Ų46.538%0.37523%0.225SC..SBendtrans-142171.4-174.357.8-84.3000113.5E79 R84E79-H82 WeakPolarHBondContact CB-O 3.31Å; E79-H82 PolarHBondContact N-O 3.23Å; E79-H82 IonicContact OE2-CD2 3.14Å; E79-H82 PolarHBondContact OE2-CD2 2.78Å; E79-H82 IonicContact OE2-CE1 3.99Å; E79-H82 PolarHBondContact OE2-CE1 2.84Å; E79-H82 IonicContact OE2-ND1 3.76Å; E79-H82 IonicContact OE2-NE2 2.86Å; E79-H82 PolarHBondContact OE2-NE2 2.92Å; H82-R84 PolarHBondContact NE2-NH2 3.03Å
83C93.6Very high92.8Very high19 Ų1951.3 Ų51.313%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-95.5134.2173-168.70000109.7E51 Y77 H85E51-C83 HydrophobicContact CG-CB 3.83Å; Y77-C83 CarbonylContact O-C 3.5Å; Y77-C83 WeakPolarHBondContact O-CA 3.45Å; Y77-C83 PolarHBondContact O-SG 3.34Å; C83-H85 VanDerWaalsContact SG-CE1 3.5Å
84R93.4Very high92.5Very high50 Ų5053.1 Ų53.119%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-102.6149.3171.5-67.1-164.3-173.7-78.6-8.1110.5S76 Y77 E79 H82 F86 F123S76-R84 CarbonylContact C-O 3.52Å; S76-R84 VanDerWaalsContact CA-O 3.32Å; S76-R84 WeakPolarHBondContact CA-O 3.19Å; Y77-R84 PolarHBondContact N-O 2.83Å; Y77-R84 PolarHBondContact O-N 3.37Å; E79-R84 VanDerWaalsContact CD-NE 3.29Å; E79-R84 IonicContact OE1-CZ 3.72Å; E79-R84 IonicContact OE1-NE 3.5Å; E79-R84 PolarHBondContact OE1-NE 2.76Å; E79-R84 IonicContact OE1-NH2 2.78Å; E79-R84 PolarHBondContact OE1-NH2 3.33Å; E79-R84 IonicContact OE2-CZ 3.75Å; E79-R84 IonicContact OE2-NE 3.86Å; E79-R84 PolarHBondContact OE2-NE 3.3Å; E79-R84 IonicContact OE2-NH2 3.92Å; E79-R84 PolarHBondContact OE2-NH2 3.47Å; H82-R84 PolarHBondContact NE2-NH2 3.03Å; R84-F86 HydrophobicContact CB-CE2 3.98Å; R84-F86 HydrophobicContact CB-CZ 4.21Å; R84-F123 VanDerWaalsContact CZ-CD1 3.42Å
85H94.7Very high92.3Very high47 Ų4755.5 Ų55.522%0.21828%0.28CS..EExtended strand (participates in β ladder)trans-130.6122178-56.2-80000110.2R47 E51 T74 L75 S76 C83R47-H85 PolarHBondContact NE-CD2 2.91Å; R47-H85 PolarHBondContact NE-NE2 2.98Å; R47-H85 PolarHBondContact NH2-CD2 3.24Å; E51-H85 IonicContact OE1-CD2 2.67Å; E51-H85 IonicContact OE1-CE1 3.5Å; E51-H85 IonicContact OE1-NE2 3.64Å; E51-H85 PolarHBondContact OE1-NE2 3.19Å; T74-H85 HydrophobicContact CG2-CB 3.85Å; L75-H85 CarbonylContact O-C 3.5Å; L75-H85 VanDerWaalsContact O-CA 3.32Å; L75-H85 WeakPolarHBondContact O-CA 3.13Å; S76-H85 PolarHBondContact OG-CE1 3.28Å; S76-H85 PolarHBondContact OG-ND1 2.77Å; C83-H85 VanDerWaalsContact SG-CE1 3.5Å
86F94.6Very high92.3Very high22 Ų2255.9 Ų55.910%0.09628%0.281CS..EExtended strand (participates in β ladder)trans-111130.1176.5-56.3-83000109.4T74 L75 R84 I98 V120 F123T74-F86 CarbonylContact C-O 3.57Å; T74-F86 VanDerWaalsContact CA-O 3.27Å; T74-F86 WeakPolarHBondContact CA-O 3.47Å; L75-F86 HydrophobicContact CB-CB 4.27Å; L75-F86 HydrophobicContact CD2-CD2 4.08Å; L75-F86 HydrophobicContact CG-CD2 4.25Å; L75-F86 PolarHBondContact N-O 2.77Å; L75-F86 PolarHBondContact O-N 2.67Å; R84-F86 HydrophobicContact CB-CE2 3.98Å; R84-F86 HydrophobicContact CB-CZ 4.21Å; F86-I98 HydrophobicContact CB-CG2 3.89Å; F86-I98 HydrophobicContact CD1-CG2 4.35Å; F86-I98 HydrophobicContact CG-CG2 4.43Å; F86-V120 HydrophobicContact CD1-CG1 3.75Å; F86-V120 HydrophobicContact CD2-CG1 4.26Å; F86-V120 HydrophobicContact CE1-CB 4.49Å; F86-V120 HydrophobicContact CE1-CG1 3.61Å; F86-V120 HydrophobicContact CE2-CB 4.5Å; F86-V120 HydrophobicContact CE2-CG1 4.14Å; F86-V120 HydrophobicContact CG-CG1 4.08Å; F86-V120 HydrophobicContact CZ-CB 4.26Å; F86-V120 HydrophobicContact CZ-CG1 3.81Å; F86-F123 AromaticContact CE1-CD2 3.72Å; F86-F123 HydrophobicContact CE1-CD2 3.72Å; F86-F123 AromaticContact CE1-CE2 3.98Å; F86-F123 HydrophobicContact CE1-CE2 3.98Å; F86-F123 AromaticContact CZ-CD2 3.8Å; F86-F123 HydrophobicContact CZ-CD2 3.8Å; F86-F123 HydrophobicContact CZ-CE2 4.38Å
87M94.7Very high92.3Very high27 Ų2757.4 Ų57.413%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-76.1137.4173.6-17267.242.600109.3R70 T74 I98 V99R70-M87 HydrophobicContact CG-CE 4.21Å; R70-M87 HydrophobicContact CG-SD 3.92Å; R70-M87 VanDerWaalsContact NE-CE 3.28Å; R70-M87 PolarHBondContact NE-SD 2.76Å; R70-M87 VanDerWaalsContact NH2-CG 3.34Å; T74-M87 WeakPolarHBondContact OG1-CE 3.34Å; M87-I98 CarbonylContact O-C 3.54Å; M87-I98 WeakPolarHBondContact O-CA 3.29Å; M87-V99 HydrophobicContact CB-CB 4.14Å; M87-V99 HydrophobicContact CB-CG2 3.69Å; M87-V99 HydrophobicContact CG-CG2 3.81Å; M87-V99 PolarHBondContact O-N 2.96Å
88I95.6Very high92.3Very high0 Ų056.9 Ų56.90%029%0.287CS..EExtended strand (participates in β ladder)trans-115.5114.1171.9-61.2163.7000107.4I64 G72 Y73 L75 Y96 I97 I98 L108 L111I64-I88 HydrophobicContact CD1-CD1 4.15Å; I64-I88 HydrophobicContact CG2-CD1 4.4Å; G72-I88 WeakPolarHBondContact CA-O 3.4Å; Y73-I88 PolarHBondContact N-O 3.37Å; Y73-I88 PolarHBondContact O-N 3.45Å; L75-I88 HydrophobicContact CB-CD1 3.89Å; L75-I88 HydrophobicContact CB-CG1 4.48Å; I88-Y96 HydrophobicContact CG2-CD1 4.27Å; I88-I97 CarbonylContact C-O 3.56Å; I88-I97 VanDerWaalsContact CA-O 3.27Å; I88-I97 WeakPolarHBondContact CA-O 3.4Å; I88-I98 HydrophobicContact CG1-CG1 4.05Å; I88-L108 HydrophobicContact CD1-CD2 4.31Å; I88-L108 HydrophobicContact CG2-CD2 4.11Å; I88-L111 HydrophobicContact CD1-CD1 4.21Å; I88-L111 HydrophobicContact CD1-CD2 4.21Å; I88-L111 HydrophobicContact CG1-CD1 4.27Å; I88-L111 HydrophobicContact CG2-CD1 4Å
89D94.3Very high92.2Very high55 Ų5558.6 Ų58.629%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-88.8149.2175.6-74-12.8000110.3Y96 I97 V99D89-Y96 WeakPolarHBondContact O-CA 3.39Å; D89-I97 HydrophobicContact CB-CG2 4.16Å; D89-I97 PolarHBondContact N-O 3.5Å; D89-I97 PolarHBondContact O-N 3.46Å; D89-I97 VanDerWaalsContact O-N 3.07Å; D89-V99 HydrophobicContact CB-CG2 4.45Å; D89-V99 WeakPolarHBondContact OD2-CG2 3.27Å
90V92.5Very high92.2Very high40 Ų4061.1 Ų61.124%0.24233%0.334CS..EExtended strand (participates in β ladder)trans-104.1114.2171.1-175.30000108W22 Y73 Q95 Y96W22-V90 HydrophobicContact CH2-CG2 3.79Å; W22-V90 HydrophobicContact CZ2-CB 3.96Å; W22-V90 HydrophobicContact CZ2-CG2 3.51Å; Y73-V90 HydrophobicContact CD2-CG2 4.19Å; Y73-V90 HydrophobicContact CE2-CG2 3.94Å; V90-Q95 WeakPolarHBondContact CA-O 2.98Å; V90-Y96 HydrophobicContact CG1-CE1 4.44Å; V90-Y96 HydrophobicContact CG2-CD1 3.75Å; V90-Y96 HydrophobicContact CG2-CE1 3.62Å
91L92.1Very high92.4Very high65 Ų6557 Ų5734%0.3431%0.312SS..  trans-72.4161.8-179.2-63.3178000111.2N93 G94 Q95 I97 T104L91-N93 VanDerWaalsContact CB-OD1 3.24Å; L91-N93 WeakPolarHBondContact CB-OD1 3.46Å; L91-N93 PolarHBondContact O-N 2.92Å; L91-N93 VanDerWaalsContact O-N 3.13Å; L91-G94 WeakPolarHBondContact O-CA 3.48Å; L91-G94 PolarHBondContact O-N 3.06Å; L91-Q95 HydrophobicContact CD1-CB 4.28Å; L91-Q95 PolarHBondContact N-O 3.19Å; L91-I97 HydrophobicContact CD1-CG2 4.21Å; L91-I97 HydrophobicContact CD2-CG2 3.95Å; L91-I97 HydrophobicContact CG-CG2 3.97Å; L91-T104 HydrophobicContact CD1-CG2 3.57Å
92E88.3Confident92.6Very high200 Ų20055.6 Ų55.694%0.93531%0.31SS*.THydrogen-bonded Turntrans-58.7-28.2179.2-62.8-176.4171.100113.2G94E92-G94 PolarHBondContact O-N 2.95Å
93N88.9Confident92.8Very high101 Ų10156.6 Ų56.654%0.5431%0.311SS..THydrogen-bonded Turntrans-83.17.4176.165.57.3000113.6L91 Q95L91-N93 VanDerWaalsContact CB-OD1 3.24Å; L91-N93 WeakPolarHBondContact CB-OD1 3.46Å; L91-N93 PolarHBondContact O-N 2.92Å; L91-N93 VanDerWaalsContact O-N 3.13Å; N93-Q95 VanDerWaalsContact C-N 3.3Å; N93-Q95 PolarHBondContact ND2-NE2 2.95Å; N93-Q95 PolarHBondContact O-N 2.91Å; N93-Q95 VanDerWaalsContact OD1-CB 3.25Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.31Å; N93-Q95 WeakPolarHBondContact OD1-CG 3.13Å; N93-Q95 PolarHBondContact OD1-N 3.46Å
94G88.2Confident92.9Very high38 Ų3858.4 Ų58.439%0.39232%0.321SS..SBendtrans77.28.1-179.900000115.1L91 E92L91-G94 WeakPolarHBondContact O-CA 3.48Å; L91-G94 PolarHBondContact O-N 3.06Å; E92-G94 PolarHBondContact O-N 2.95Å
95Q93.6Very high93Very high55 Ų5556 Ų5626%0.25731%0.312SS..  trans-85.5159.2175.9-64.1-178.34700111.9V90 L91 N93 T104 H105V90-Q95 WeakPolarHBondContact CA-O 2.98Å; L91-Q95 HydrophobicContact CD1-CB 4.28Å; L91-Q95 PolarHBondContact N-O 3.19Å; N93-Q95 VanDerWaalsContact C-N 3.3Å; N93-Q95 PolarHBondContact ND2-NE2 2.95Å; N93-Q95 PolarHBondContact O-N 2.91Å; N93-Q95 VanDerWaalsContact OD1-CB 3.25Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.31Å; N93-Q95 WeakPolarHBondContact OD1-CG 3.13Å; N93-Q95 PolarHBondContact OD1-N 3.46Å; Q95-T104 VanDerWaalsContact OE1-CB 3.3Å; Q95-T104 PolarHBondContact OE1-OG1 2.77Å; Q95-H105 CarbonylContact C-O 3.52Å; Q95-H105 VanDerWaalsContact CA-O 3.25Å; Q95-H105 WeakPolarHBondContact CA-O 3.08Å; Q95-H105 VanDerWaalsContact CB-O 3.28Å; Q95-H105 WeakPolarHBondContact CB-O 3.43Å
96Y95.1Very high92.9Very high8 Ų864.2 Ų64.23%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-108.9138.3-177.9-56.7-89.7000110.2Q27 Y73 I88 D89 V90 T104 H105 L108Q27-Y96 PolarHBondContact OE1-OH 2.8Å; Y73-Y96 HydrophobicContact CD2-CD1 4.45Å; Y73-Y96 HydrophobicContact CD2-CE1 4.36Å; Y73-Y96 HydrophobicContact CE2-CD1 4.33Å; Y73-Y96 AromaticContact CE2-CE1 3.79Å; Y73-Y96 HydrophobicContact CE2-CE1 3.79Å; I88-Y96 HydrophobicContact CG2-CD1 4.27Å; D89-Y96 WeakPolarHBondContact O-CA 3.39Å; V90-Y96 HydrophobicContact CG1-CE1 4.44Å; V90-Y96 HydrophobicContact CG2-CD1 3.75Å; V90-Y96 HydrophobicContact CG2-CE1 3.62Å; Y96-T104 CarbonylContact O-C 3.54Å; Y96-T104 WeakPolarHBondContact O-CA 3.26Å; Y96-H105 PolarHBondContact N-O 2.73Å; Y96-H105 PolarHBondContact O-N 3.02Å; Y96-L108 HydrophobicContact CD1-CD2 3.53Å; Y96-L108 HydrophobicContact CD1-CG 3.88Å; Y96-L108 HydrophobicContact CE1-CD1 4.44Å; Y96-L108 HydrophobicContact CE1-CD2 3.97Å; Y96-L108 HydrophobicContact CE1-CG 3.84Å; Y96-L108 HydrophobicContact CG-CD2 4Å; Y96-L108 HydrophobicContact CG-CG 4.32Å
97I95.4Very high92.8Very high32 Ų3265.3 Ų65.316%0.16435%0.352CS..EExtended strand (participates in β ladder)trans-141135.9177.1-177.1162.9000110.3I88 D89 L91 T104I88-I97 CarbonylContact C-O 3.56Å; I88-I97 VanDerWaalsContact CA-O 3.27Å; I88-I97 WeakPolarHBondContact CA-O 3.4Å; D89-I97 HydrophobicContact CB-CG2 4.16Å; D89-I97 PolarHBondContact N-O 3.5Å; D89-I97 PolarHBondContact O-N 3.46Å; D89-I97 VanDerWaalsContact O-N 3.07Å; L91-I97 HydrophobicContact CD1-CG2 4.21Å; L91-I97 HydrophobicContact CD2-CG2 3.95Å; L91-I97 HydrophobicContact CG-CG2 3.97Å; I97-T104 HydrophobicContact CB-CG2 4.23Å; I97-T104 HydrophobicContact CD1-CG2 3.93Å; I97-T104 HydrophobicContact CG1-CG2 4.49Å
98I95.3Very high92.8Very high2 Ų264.3 Ų64.31%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-73.2127.9167.7-64.6-179.5000108.1L75 F86 M87 I88 G100 D101 L111 H115 V120L75-I98 HydrophobicContact CD2-CD1 4.07Å; F86-I98 HydrophobicContact CB-CG2 3.89Å; F86-I98 HydrophobicContact CD1-CG2 4.35Å; F86-I98 HydrophobicContact CG-CG2 4.43Å; M87-I98 CarbonylContact O-C 3.54Å; M87-I98 WeakPolarHBondContact O-CA 3.29Å; I88-I98 HydrophobicContact CG1-CG1 4.05Å; I98-G100 PolarHBondContact O-N 2.81Å; I98-G100 VanDerWaalsContact O-N 3.12Å; I98-D101 HydrophobicContact CB-CB 3.98Å; I98-D101 HydrophobicContact CG2-CB 4.48Å; I98-D101 VanDerWaalsContact O-CB 3.26Å; I98-D101 WeakPolarHBondContact O-CB 3.13Å; I98-D101 PolarHBondContact O-N 2.86Å; I98-L111 HydrophobicContact CD1-CD2 4.26Å; I98-L111 HydrophobicContact CG1-CD1 4.1Å; I98-L111 HydrophobicContact CG1-CD2 4.43Å; I98-H115 WeakPolarHBondContact CD1-NE2 3.32Å; I98-V120 HydrophobicContact CD1-CG1 3.91Å; I98-V120 HydrophobicContact CD1-CG2 4.14Å; I98-V120 HydrophobicContact CG2-CG1 4.28Å
99V92.9Very high92.6Very high74 Ų7467.9 Ų67.945%0.44836%0.364SS..THydrogen-bonded Turntrans-60.8119179.6177.50000109.9M87 D89M87-V99 HydrophobicContact CB-CB 4.14Å; M87-V99 HydrophobicContact CB-CG2 3.69Å; M87-V99 HydrophobicContact CG-CG2 3.81Å; M87-V99 PolarHBondContact O-N 2.96Å; D89-V99 HydrophobicContact CB-CG2 4.45Å; D89-V99 WeakPolarHBondContact OD2-CG2 3.27Å
100G90.6Very high92.6Very high76 Ų7668.1 Ų68.178%0.78437%0.365SS*.THydrogen-bonded Turntrans98-4.2-176.700000114.5I98I98-G100 PolarHBondContact O-N 2.81Å; I98-G100 VanDerWaalsContact O-N 3.12Å
101D91.8Very high92.8Very high28 Ų2866.2 Ų66.215%0.1535%0.353CS..  trans-90164.6171.8-148.9-18.4000111.5I98 H115I98-D101 HydrophobicContact CB-CB 3.98Å; I98-D101 HydrophobicContact CG2-CB 4.48Å; I98-D101 VanDerWaalsContact O-CB 3.26Å; I98-D101 WeakPolarHBondContact O-CB 3.13Å; I98-D101 PolarHBondContact O-N 2.86Å; D101-H115 IonicContact OD2-CE1 3.95Å; D101-H115 PolarHBondContact OD2-CE1 2.86Å; D101-H115 IonicContact OD2-NE2 3.04Å; D101-H115 PolarHBondContact OD2-NE2 3.06Å
102D89.9Confident92.9Very high148 Ų14863.2 Ų63.279%0.79134%0.338SS*.SBendtrans-99.6-13.8179.269.4-3.4000113.3
103R92.8Very high93.2Very high101 Ų10156.2 Ų56.238%0.38131%0.307SS..  trans-104.8133-172.2-161.1169.1-167.1-113.2-4.8112.8H105R103-H105 PolarHBondContact NH1-CE1 3.3Å
104T95.6Very high93.5Very high57 Ų5753.2 Ų53.235%0.3529%0.289SS..EExtended strand (participates in β ladder)trans-101.5151.417264.30000111.2L91 Q95 Y96 I97L91-T104 HydrophobicContact CD1-CG2 3.57Å; Q95-T104 VanDerWaalsContact OE1-CB 3.3Å; Q95-T104 PolarHBondContact OE1-OG1 2.77Å; Y96-T104 CarbonylContact O-C 3.54Å; Y96-T104 WeakPolarHBondContact O-CA 3.26Å; I97-T104 HydrophobicContact CB-CG2 4.23Å; I97-T104 HydrophobicContact CD1-CG2 3.93Å; I97-T104 HydrophobicContact CG1-CG2 4.49Å
105H95.6Very high93.8Very high1 Ų151.5 Ų51.51%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-126.4147.4-175.1-65-78.3000111.7Q95 Y96 R103 D110 L111 F114 H115Q95-H105 CarbonylContact C-O 3.52Å; Q95-H105 VanDerWaalsContact CA-O 3.25Å; Q95-H105 WeakPolarHBondContact CA-O 3.08Å; Q95-H105 VanDerWaalsContact CB-O 3.28Å; Q95-H105 WeakPolarHBondContact CB-O 3.43Å; Y96-H105 PolarHBondContact N-O 2.73Å; Y96-H105 PolarHBondContact O-N 3.02Å; R103-H105 PolarHBondContact NH1-CE1 3.3Å; H105-D110 IonicContact CG-OD2 3.88Å; H105-D110 IonicContact ND1-OD2 3.02Å; H105-D110 PolarHBondContact ND1-OD2 2.84Å; H105-L111 HydrophobicContact CB-CB 3.81Å; H105-L111 VanDerWaalsContact CG-CA 3.48Å; H105-F114 VanDerWaalsContact CE1-CB 3.48Å; H105-F114 WeakPolarHBondContact CE1-CB 3.42Å; H105-F114 AromaticContact CE1-CD1 3.47Å; H105-F114 VanDerWaalsContact CE1-CD1 3.47Å; H105-F114 WeakPolarHBondContact CE1-CD1 3.37Å; H105-F114 AromaticContact CE1-CG 3.61Å; H105-F114 AromaticContact NE2-CD1 3.71Å; H105-H115 AromaticContact NE2-NE2 3.91Å
106R93.3Very high93.8Very high218 Ų21855 Ų5582%0.82328%0.281SS*.SBendtrans-79.8-22.8-179-62.5-175.7179.9-164.6-0113.3D110R106-D110 PolarHBondContact N-OD2 2.9Å
107S92.8Very high93.7Very high45 Ų4563.5 Ų63.532%0.31531%0.314SS..SBendtrans-148.9159.8177.867.70000110Q109 D110 L111S107-Q109 PolarHBondContact O-N 3.4Å; S107-D110 PolarHBondContact O-N 3.29Å; S107-D110 WeakPolarHBondContact OG-CB 3.37Å; S107-D110 PolarHBondContact OG-N 3.34Å; S107-L111 PolarHBondContact O-N 3.04Å
108L93.5Very high93.6Very high7 Ų764.9 Ų64.94%0.03732%0.321CS..Hα-helixtrans-60-33.8171.1-70.5175.7000111.9V31 W40 Y73 I88 Y96 L111 V112V31-L108 HydrophobicContact CG2-CD1 4.19Å; W40-L108 HydrophobicContact CH2-CB 3.54Å; W40-L108 HydrophobicContact CH2-CD1 4.35Å; W40-L108 HydrophobicContact CZ2-CB 4.42Å; W40-L108 HydrophobicContact CZ3-CB 4.13Å; W40-L108 HydrophobicContact CZ3-CD1 4.33Å; Y73-L108 HydrophobicContact CD1-CD1 4.23Å; Y73-L108 HydrophobicContact CD2-CD1 4.21Å; Y73-L108 HydrophobicContact CD2-CD2 4.13Å; Y73-L108 HydrophobicContact CE1-CD1 3.98Å; Y73-L108 HydrophobicContact CE2-CD1 3.97Å; Y73-L108 HydrophobicContact CE2-CD2 4.47Å; Y73-L108 HydrophobicContact CG-CD1 4.32Å; Y73-L108 HydrophobicContact CG-CD2 4.46Å; I88-L108 HydrophobicContact CD1-CD2 4.31Å; I88-L108 HydrophobicContact CG2-CD2 4.11Å; Y96-L108 HydrophobicContact CD1-CD2 3.53Å; Y96-L108 HydrophobicContact CD1-CG 3.88Å; Y96-L108 HydrophobicContact CE1-CD1 4.44Å; Y96-L108 HydrophobicContact CE1-CD2 3.97Å; Y96-L108 HydrophobicContact CE1-CG 3.84Å; Y96-L108 HydrophobicContact CG-CD2 4Å; Y96-L108 HydrophobicContact CG-CG 4.32Å; L108-L111 WeakPolarHBondContact O-CB 3.37Å; L108-L111 PolarHBondContact O-N 3.38Å; L108-V112 WeakPolarHBondContact O-CG2 3.44Å; L108-V112 PolarHBondContact O-N 2.98Å
109Q93.1Very high93.3Very high74 Ų7467.2 Ų67.235%0.34634%0.337SS..Hα-helixtrans-64.1-44.2175.7-175.958.350.900111.5W40 S107 L111 V112 D113W40-Q109 HydrophobicContact CZ2-CB 4.34Å; W40-Q109 VanDerWaalsContact NE1-OE1 3.11Å; S107-Q109 PolarHBondContact O-N 3.4Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; Q109-L111 PolarHBondContact O-N 3.4Å; Q109-V112 PolarHBondContact O-N 3.19Å; Q109-D113 PolarHBondContact NE2-OD1 2.79Å; Q109-D113 VanDerWaalsContact NE2-OD1 3.11Å; Q109-D113 PolarHBondContact NE2-OD2 2.82Å; Q109-D113 WeakPolarHBondContact O-CB 3.28Å; Q109-D113 PolarHBondContact O-N 2.86Å
110D94.1Very high93.2Very high60 Ų6063.9 Ų63.932%0.32132%0.316SS..Hα-helixtrans-63.6-37.9175.7178.249.8000112.1H105 R106 S107 F114H105-D110 IonicContact CG-OD2 3.88Å; H105-D110 IonicContact ND1-OD2 3.02Å; H105-D110 PolarHBondContact ND1-OD2 2.84Å; R106-D110 PolarHBondContact N-OD2 2.9Å; S107-D110 PolarHBondContact O-N 3.29Å; S107-D110 WeakPolarHBondContact OG-CB 3.37Å; S107-D110 PolarHBondContact OG-N 3.34Å; D110-F114 WeakPolarHBondContact O-CB 3.42Å; D110-F114 PolarHBondContact O-N 3.4Å
111L95.4Very high92.9Very high0 Ų065 Ų650%030%0.302CS..Hα-helixtrans-60-49.6172.2-176.9155.3000111I88 I98 H105 S107 L108 Q109 F114 H115I88-L111 HydrophobicContact CD1-CD1 4.21Å; I88-L111 HydrophobicContact CD1-CD2 4.21Å; I88-L111 HydrophobicContact CG1-CD1 4.27Å; I88-L111 HydrophobicContact CG2-CD1 4Å; I98-L111 HydrophobicContact CD1-CD2 4.26Å; I98-L111 HydrophobicContact CG1-CD1 4.1Å; I98-L111 HydrophobicContact CG1-CD2 4.43Å; H105-L111 HydrophobicContact CB-CB 3.81Å; H105-L111 VanDerWaalsContact CG-CA 3.48Å; S107-L111 PolarHBondContact O-N 3.04Å; L108-L111 WeakPolarHBondContact O-CB 3.37Å; L108-L111 PolarHBondContact O-N 3.38Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; Q109-L111 PolarHBondContact O-N 3.4Å; L111-F114 PolarHBondContact O-N 3.01Å; L111-H115 PolarHBondContact O-CD2 3.2Å; L111-H115 PolarHBondContact O-N 3.19Å
112V94.6Very high92.5Very high2 Ų267.9 Ų67.91%0.01232%0.323CS..Hα-helixtrans-58.7-55.2176.8169.90000110W40 F62 I64 L108 Q109 F114 H115 R116W40-V112 HydrophobicContact CD2-CG2 4.16Å; W40-V112 HydrophobicContact CZ2-CG2 4.33Å; F62-V112 HydrophobicContact CE2-CG1 3.76Å; F62-V112 HydrophobicContact CE2-CG2 3.92Å; F62-V112 HydrophobicContact CZ-CG1 3.47Å; F62-V112 VanDerWaalsContact CZ-CG1 3.47Å; F62-V112 HydrophobicContact CZ-CG2 4.49Å; I64-V112 HydrophobicContact CD1-CG2 3.65Å; L108-V112 WeakPolarHBondContact O-CG2 3.44Å; L108-V112 PolarHBondContact O-N 2.98Å; Q109-V112 PolarHBondContact O-N 3.19Å; V112-F114 PolarHBondContact O-N 3.14Å; V112-H115 CarbonylContact O-C 3.57Å; V112-H115 PolarHBondContact O-N 2.87Å; V112-R116 HydrophobicContact CG1-CG 4.28Å; V112-R116 VanDerWaalsContact O-CG 3.29Å; V112-R116 WeakPolarHBondContact O-CG 3.5Å; V112-R116 PolarHBondContact O-N 3.47Å
113D94.6Very high92.2Very high53 Ų5365 Ų6528%0.28330%0.303SS..Hα-helixtrans-61.9-28.2-175.4-72-32000114.3Q109 R117Q109-D113 PolarHBondContact NE2-OD1 2.79Å; Q109-D113 VanDerWaalsContact NE2-OD1 3.11Å; Q109-D113 PolarHBondContact NE2-OD2 2.82Å; Q109-D113 WeakPolarHBondContact O-CB 3.28Å; Q109-D113 PolarHBondContact O-N 2.86Å; D113-R117 PolarHBondContact O-NE 2.93Å; D113-R117 PolarHBondContact O-NH2 3.49Å; D113-R117 VanDerWaalsContact O-NH2 3.1Å
114F95.2Very high91.6Very high39 Ų3965.8 Ų65.817%0.17132%0.315CS..Hα-helixtrans-70-51.1169.6175.2-112.2000111.3H105 D110 L111 V112 R116 R117 N118H105-F114 VanDerWaalsContact CE1-CB 3.48Å; H105-F114 WeakPolarHBondContact CE1-CB 3.42Å; H105-F114 AromaticContact CE1-CD1 3.47Å; H105-F114 VanDerWaalsContact CE1-CD1 3.47Å; H105-F114 WeakPolarHBondContact CE1-CD1 3.37Å; H105-F114 AromaticContact CE1-CG 3.61Å; H105-F114 AromaticContact NE2-CD1 3.71Å; D110-F114 WeakPolarHBondContact O-CB 3.42Å; D110-F114 PolarHBondContact O-N 3.4Å; L111-F114 PolarHBondContact O-N 3.01Å; V112-F114 PolarHBondContact O-N 3.14Å; F114-R116 PolarHBondContact O-N 2.82Å; F114-R117 PolarHBondContact O-N 2.84Å; F114-N118 HydrophobicContact CD1-CB 4.22Å; F114-N118 HydrophobicContact CD2-CB 4.13Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.46Å; F114-N118 HydrophobicContact CE1-CB 3.79Å; F114-N118 HydrophobicContact CE2-CB 3.74Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.44Å; F114-N118 HydrophobicContact CG-CB 4.39Å; F114-N118 HydrophobicContact CZ-CB 3.54Å; F114-N118 PolarHBondContact O-N 3.38Å; F114-N118 PolarHBondContact O-ND2 3.21Å
115H94.9Very high91.1Very high1 Ų164.8 Ų64.81%0.00531%0.306CS..Hα-helixtrans-74.2-7-177-70.4-63.4000114.5I98 D101 H105 L111 V112 R117 N118 V120 V126 L127I98-H115 WeakPolarHBondContact CD1-NE2 3.32Å; D101-H115 IonicContact OD2-CE1 3.95Å; D101-H115 PolarHBondContact OD2-CE1 2.86Å; D101-H115 IonicContact OD2-NE2 3.04Å; D101-H115 PolarHBondContact OD2-NE2 3.06Å; H105-H115 AromaticContact NE2-NE2 3.91Å; L111-H115 PolarHBondContact O-CD2 3.2Å; L111-H115 PolarHBondContact O-N 3.19Å; V112-H115 CarbonylContact O-C 3.57Å; V112-H115 PolarHBondContact O-N 2.87Å; H115-R117 PolarHBondContact O-N 3.43Å; H115-N118 CarbonylContact C-O 3.55Å; H115-N118 WeakPolarHBondContact CA-O 3.25Å; H115-N118 PolarHBondContact ND1-O 2.83Å; H115-V120 HydrophobicContact CB-CG2 4.07Å; H115-V126 WeakPolarHBondContact O-CA 3.44Å; H115-L127 HydrophobicContact CB-CD1 3.71Å; H115-L127 HydrophobicContact CB-CG 3.84Å; H115-L127 PolarHBondContact O-N 3.31Å
116R93.9Very high90.9Very high128 Ų12867 Ų6748%0.48332%0.32SS..THydrogen-bonded Turntrans-67.2-24.7164.7-61-173.685.31775.9113.5V112 F114 L127 T128V112-R116 HydrophobicContact CG1-CG 4.28Å; V112-R116 VanDerWaalsContact O-CG 3.29Å; V112-R116 WeakPolarHBondContact O-CG 3.5Å; V112-R116 PolarHBondContact O-N 3.47Å; F114-R116 PolarHBondContact O-N 2.82Å; R116-L127 WeakPolarHBondContact CA-O 3.32Å; R116-L127 WeakPolarHBondContact CB-O 3.27Å; R116-L127 HydrophobicContact CG-CB 4.32Å; R116-L127 VanDerWaalsContact CG-O 3.32Å; R116-L127 WeakPolarHBondContact CG-O 3.35Å; R116-T128 PolarHBondContact NH2-O 3.29Å
117R92.2Very high90.9Very high188 Ų18856.8 Ų56.871%0.70928%0.282SS*.THydrogen-bonded Turntrans-115.8-20.4-177.4-72171.2-77.2163-5.2113D113 F114 H115D113-R117 PolarHBondContact O-NE 2.93Å; D113-R117 PolarHBondContact O-NH2 3.49Å; D113-R117 VanDerWaalsContact O-NH2 3.1Å; F114-R117 PolarHBondContact O-N 2.84Å; H115-R117 PolarHBondContact O-N 3.43Å
118N92.7Very high90.8Very high61 Ų6157.5 Ų57.533%0.32628%0.284SS..SBendtrans-123.2129-175.1-58.5-87.3000109F114 H115F114-N118 HydrophobicContact CD1-CB 4.22Å; F114-N118 HydrophobicContact CD2-CB 4.13Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.46Å; F114-N118 HydrophobicContact CE1-CB 3.79Å; F114-N118 HydrophobicContact CE2-CB 3.74Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.44Å; F114-N118 HydrophobicContact CG-CB 4.39Å; F114-N118 HydrophobicContact CZ-CB 3.54Å; F114-N118 PolarHBondContact O-N 3.38Å; F114-N118 PolarHBondContact O-ND2 3.21Å; H115-N118 CarbonylContact C-O 3.55Å; H115-N118 WeakPolarHBondContact CA-O 3.25Å; H115-N118 PolarHBondContact ND1-O 2.83Å
119P90.8Very high90.8Very high51 Ų5160 Ų6033%0.33130%0.299SS..PPolyproline II helixtrans-65.3149-176.424.6-32.3000112.5N124 Q125 V126P119-N124 VanDerWaalsContact CB-CA 3.45Å; P119-N124 HydrophobicContact CB-CB 4.46Å; P119-Q125 CarbonylContact C-O 3.6Å; P119-Q125 VanDerWaalsContact CA-O 3.25Å; P119-Q125 WeakPolarHBondContact CA-O 3.38Å; P119-V126 HydrophobicContact CB-CG1 4.39Å
120V89.6Confident90.9Very high3 Ų357.9 Ų57.92%0.01830%0.295CS..BIsolated β-bridgetrans-79.2122.2168-173.90000108.7F86 I98 H115 F123 N124 Q125F86-V120 HydrophobicContact CD1-CG1 3.75Å; F86-V120 HydrophobicContact CD2-CG1 4.26Å; F86-V120 HydrophobicContact CE1-CB 4.49Å; F86-V120 HydrophobicContact CE1-CG1 3.61Å; F86-V120 HydrophobicContact CE2-CB 4.5Å; F86-V120 HydrophobicContact CE2-CG1 4.14Å; F86-V120 HydrophobicContact CG-CG1 4.08Å; F86-V120 HydrophobicContact CZ-CB 4.26Å; F86-V120 HydrophobicContact CZ-CG1 3.81Å; I98-V120 HydrophobicContact CD1-CG1 3.91Å; I98-V120 HydrophobicContact CD1-CG2 4.14Å; I98-V120 HydrophobicContact CG2-CG1 4.28Å; H115-V120 HydrophobicContact CB-CG2 4.07Å; V120-F123 PolarHBondContact O-N 2.92Å; V120-N124 PolarHBondContact O-N 3.14Å; V120-Q125 PolarHBondContact N-O 2.86Å
121M85.3Confident90.8Very high99 Ų9955.1 Ų55.149%0.48828%0.28SS..THydrogen-bonded Turntrans-75.2148.9178.1-66.9-57.1-72.400111.4
122P83.6Confident90.4Very high90 Ų9056.6 Ų56.658%0.58430%0.296SS*.THydrogen-bonded Turncis-88.96.3-0.235.7-37.7000115
123F82Confident89.9Confident87 Ų8758.8 Ų58.838%0.38231%0.306SS..THydrogen-bonded Turntrans-94.98.1-163.9-54.6-69.1000114.9R84 F86 V120 Q125R84-F123 VanDerWaalsContact CZ-CD1 3.42Å; F86-F123 AromaticContact CE1-CD2 3.72Å; F86-F123 HydrophobicContact CE1-CD2 3.72Å; F86-F123 AromaticContact CE1-CE2 3.98Å; F86-F123 HydrophobicContact CE1-CE2 3.98Å; F86-F123 AromaticContact CZ-CD2 3.8Å; F86-F123 HydrophobicContact CZ-CD2 3.8Å; F86-F123 HydrophobicContact CZ-CE2 4.38Å; V120-F123 PolarHBondContact O-N 2.92Å; F123-Q125 PolarHBondContact O-N 2.86Å; F123-Q125 VanDerWaalsContact O-N 3.09Å
124N81.4Confident88.5Confident117 Ų11760.8 Ų60.863%0.62632%0.324SS*.THydrogen-bonded Turntrans53.230.8174.5-68.2-29.7000114.9P119 V120P119-N124 VanDerWaalsContact CB-CA 3.45Å; P119-N124 HydrophobicContact CB-CB 4.46Å; V120-N124 PolarHBondContact O-N 3.14Å
125Q83.6Confident87Confident36 Ų3661.3 Ų61.317%0.16833%0.332CS..BIsolated β-bridgetrans-113.7139.6-175.5-83.6178.789.700113.9Y77 E79 P119 V120 F123Y77-Q125 HydrophobicContact CE1-CB 4.17Å; Y77-Q125 HydrophobicContact CE1-CG 4.43Å; Y77-Q125 VanDerWaalsContact CZ-OE1 3.26Å; Y77-Q125 PolarHBondContact OH-OE1 3.04Å; E79-Q125 PolarHBondContact OE1-NE2 3.23Å; P119-Q125 CarbonylContact C-O 3.6Å; P119-Q125 VanDerWaalsContact CA-O 3.25Å; P119-Q125 WeakPolarHBondContact CA-O 3.38Å; V120-Q125 PolarHBondContact N-O 2.86Å; F123-Q125 PolarHBondContact O-N 2.86Å; F123-Q125 VanDerWaalsContact O-N 3.09Å
126V91.4Very high85.3Confident49 Ų4966.6 Ų66.630%0.29738%0.376SS..  trans-104.9148.1-178.3-65.40000111.5Y77 H115 P119 T128Y77-V126 WeakPolarHBondContact CE2-O 3.26Å; H115-V126 WeakPolarHBondContact O-CA 3.44Å; P119-V126 HydrophobicContact CB-CG1 4.39Å; V126-T128 HydrophobicContact CG2-CG2 4.24Å; V126-T128 PolarHBondContact O-N 3.12Å
127L93.4Very high83.6Confident2 Ų268.4 Ų68.41%0.0140%0.396CS..  trans-77.7111.7175.5-56.8-175.1000109.7F62 L75 Y77 H115 R116F62-L127 HydrophobicContact CB-CD2 3.86Å; F62-L127 HydrophobicContact CD1-CB 3.67Å; F62-L127 HydrophobicContact CD1-CD2 4.2Å; F62-L127 HydrophobicContact CD1-CG 4.35Å; F62-L127 HydrophobicContact CD2-CD1 4.09Å; F62-L127 HydrophobicContact CD2-CD2 4.41Å; F62-L127 HydrophobicContact CE1-CB 3.75Å; F62-L127 HydrophobicContact CE2-CD1 4.18Å; F62-L127 HydrophobicContact CG-CB 4.15Å; F62-L127 HydrophobicContact CG-CD1 4.3Å; F62-L127 HydrophobicContact CG-CD2 3.9Å; F62-L127 HydrophobicContact CG-CG 4.33Å; F62-L127 HydrophobicContact CZ-CB 4.28Å; F62-L127 HydrophobicContact CZ-CD1 4.47Å; L75-L127 HydrophobicContact CD1-CD1 4.15Å; L75-L127 HydrophobicContact CD1-CD2 4.15Å; L75-L127 HydrophobicContact CD2-CD1 4.11Å; L75-L127 HydrophobicContact CD2-CD2 4.12Å; Y77-L127 HydrophobicContact CD2-CD2 3.64Å; Y77-L127 HydrophobicContact CE2-CD2 4.26Å; Y77-L127 HydrophobicContact CG-CD2 4.46Å; H115-L127 HydrophobicContact CB-CD1 3.71Å; H115-L127 HydrophobicContact CB-CG 3.84Å; H115-L127 PolarHBondContact O-N 3.31Å; R116-L127 WeakPolarHBondContact CA-O 3.32Å; R116-L127 WeakPolarHBondContact CB-O 3.27Å; R116-L127 HydrophobicContact CG-CB 4.32Å; R116-L127 VanDerWaalsContact CG-O 3.32Å; R116-L127 WeakPolarHBondContact CG-O 3.35Å
128T92Very high82.6Confident61 Ų6167 Ų6737%0.37439%0.39SS..  trans-94.3-59.4-176.855.70000111.6G60 R116 V126G60-T128 WeakPolarHBondContact CA-OG1 3.4Å; G60-T128 PolarHBondContact O-N 2.92Å; G60-T128 PolarHBondContact O-OG1 3.47Å; R116-T128 PolarHBondContact NH2-O 3.29Å; V126-T128 HydrophobicContact CG2-CG2 4.24Å; V126-T128 PolarHBondContact O-N 3.12Å
129V93.7Very high82Confident58 Ų5867.2 Ų67.235%0.35239%0.391SS..EExtended strand (participates in β ladder)trans-126.8131.5-170.2-172.80000111G60 Y61 F62 C131G60-V129 PolarHBondContact O-N 3.15Å; Y61-V129 CarbonylContact C-O 3.54Å; Y61-V129 VanDerWaalsContact CA-O 3.26Å; Y61-V129 WeakPolarHBondContact CA-O 3.34Å; Y61-V129 HydrophobicContact CD1-CB 4.21Å; Y61-V129 HydrophobicContact CD1-CG1 4.11Å; Y61-V129 HydrophobicContact CD2-CB 3.92Å; Y61-V129 HydrophobicContact CD2-CG1 4.48Å; Y61-V129 HydrophobicContact CD2-CG2 4.44Å; Y61-V129 HydrophobicContact CE1-CB 4.04Å; Y61-V129 HydrophobicContact CE1-CG1 3.57Å; Y61-V129 HydrophobicContact CE2-CB 3.72Å; Y61-V129 HydrophobicContact CE2-CG1 3.97Å; Y61-V129 HydrophobicContact CE2-CG2 3.99Å; Y61-V129 HydrophobicContact CG-CB 4.17Å; Y61-V129 VanDerWaalsContact CZ-CG1 3.5Å; F62-V129 WeakPolarHBondContact CD1-O 3.45Å; F62-V129 VanDerWaalsContact CE1-C 3.43Å; F62-V129 WeakPolarHBondContact CE1-O 3.42Å; F62-V129 PolarHBondContact N-O 3.39Å; V129-C131 PolarHBondContact O-N 3.41Å
130A94.5Very high81.6Confident31 Ų3165.7 Ų65.726%0.25638%0.38SS..EExtended strand (participates in β ladder)trans-68.3126.8171.600000109.7D39 W40 F62 G132D39-A130 HydrophobicContact CB-CB 4.43Å; W40-A130 HydrophobicContact CB-CB 3.72Å; W40-A130 HydrophobicContact CG-CB 4.45Å; F62-A130 HydrophobicContact CE1-CB 4.4Å; F62-A130 HydrophobicContact CZ-CB 4.21Å; A130-G132 PolarHBondContact O-N 3.38Å
131C92.6Very high81.1Confident1 Ų167.8 Ų67.81%0.00739%0.388CS..  trans-75108.9166.5-175.90000107.4D39 H42 L54 Y61 F62 L63 V129D39-C131 VanDerWaalsContact O-O 3.11Å; H42-C131 PolarHBondContact NE2-O 3.47Å; L54-C131 HydrophobicContact CD2-CB 3.89Å; Y61-C131 HydrophobicContact CD1-CB 4.24Å; F62-C131 WeakPolarHBondContact O-CB 3.37Å; F62-C131 PolarHBondContact O-N 3.1Å; L63-C131 HydrophobicContact CB-CB 4.3Å; L63-C131 HydrophobicContact CD2-CB 4.37Å; V129-C131 PolarHBondContact O-N 3.41Å
132G87.3Confident80.6Confident32 Ų3264.5 Ų64.533%0.3338%0.376SS..  trans-72.7175.3174.600000113.1D39 A130D39-G132 WeakPolarHBondContact O-CA 3.33Å; A130-G132 PolarHBondContact O-N 3.38Å
133Q83.5Confident80.2Confident47 Ų4765.4 Ų65.422%0.2237%0.372CS..  trans-85.8124.8173.1-61.2-18032.300110.8F41F41-Q133 PolarHBondContact O-NE2 2.85Å
134S65.4Low79.9Confident96 Ų9661.4 Ų61.467%0.67136%0.355SS*.  trans-80.9-22.9-167.8-27.50000114.4
135S62.3Low79.3Confident49 Ų4959.1 Ų59.134%0.34334%0.342SS..  trans-108.7111.1-171.3460000112.1D137 R138S135-D137 PolarHBondContact O-N 3.45Å; S135-D137 VanDerWaalsContact O-N 3.15Å; S135-R138 CarbonylContact O-C 3.59Å; S135-R138 PolarHBondContact O-N 2.82Å; S135-R138 VanDerWaalsContact O-O 3.1Å; S135-R138 PolarHBondContact OG-O 3.15Å
136A59.3Low78.5Confident112 Ų11264.8 Ų64.893%0.92637%0.367SS*.THydrogen-bonded Turntrans-59-21.4171.300000113.4
137D60.1Low76.9Confident166 Ų16665.4 Ų65.489%0.88837%0.374SS*.THydrogen-bonded Turntrans-92.5-17.5-175.8-159.633.8000113.7S135S135-D137 PolarHBondContact O-N 3.45Å; S135-D137 VanDerWaalsContact O-N 3.15Å
138R70.1Confident74.6Confident159 Ų15973.4 Ų73.460%0.641%0.411SS*.  trans-145.5110176.9-170.7176.7175.3-172.1-2.1110.3S135 E143S135-R138 CarbonylContact O-C 3.59Å; S135-R138 PolarHBondContact O-N 2.82Å; S135-R138 VanDerWaalsContact O-O 3.1Å; S135-R138 PolarHBondContact OG-O 3.15Å; R138-E143 IonicContact CZ-OE1 3.95Å; R138-E143 IonicContact NE-OE1 3Å; R138-E143 IonicContact NH2-OE1 3.84Å; R138-E143 PolarHBondContact NH2-OE1 3.14Å
139I80.8Confident72Confident66 Ų6681 Ų8134%0.33843%0.433SS..  trans-89.4128175.5-65.5176.3000108.3Y141 A142I139-Y141 VanDerWaalsContact C-N 3.3Å; I139-Y141 HydrophobicContact CB-CE2 4.49Å; I139-Y141 HydrophobicContact CG2-CD1 3.68Å; I139-Y141 HydrophobicContact CG2-CD2 3.41Å; I139-Y141 VanDerWaalsContact CG2-CD2 3.41Å; I139-Y141 HydrophobicContact CG2-CE1 3.38Å; I139-Y141 HydrophobicContact CG2-CE2 3.13Å; I139-Y141 HydrophobicContact CG2-CG 3.65Å; I139-Y141 PolarHBondContact O-N 3.43Å; I139-A142 HydrophobicContact CB-CB 4.22Å; I139-A142 WeakPolarHBondContact O-CB 3.35Å; I139-A142 PolarHBondContact O-N 2.65Å
140D81.8Confident69.5Low19 Ų1984 Ų8410%0.10245%0.454CS..THydrogen-bonded Turntrans-64.9-35.3-172.4-59.1-30.2000112.4H42 I45 R53 A142H42-D140 HydrophobicContact CB-CB 4.35Å; H42-D140 IonicContact CE1-OD2 3.39Å; H42-D140 IonicContact CG-OD2 2.91Å; H42-D140 IonicContact ND1-OD2 3.23Å; H42-D140 PolarHBondContact ND1-OD2 3.42Å; H42-D140 WeakPolarHBondContact O-CB 3.48Å; I45-D140 HydrophobicContact CG2-CB 3.85Å; R53-D140 IonicContact CZ-OD1 2.83Å; R53-D140 IonicContact CZ-OD2 3.99Å; R53-D140 IonicContact NE-OD2 3.5Å; R53-D140 IonicContact NH1-OD1 3.3Å; R53-D140 IonicContact NH1-OD2 2.79Å; R53-D140 PolarHBondContact NH1-OD2 2.89Å; R53-D140 IonicContact NH2-OD1 2.76Å; R53-D140 PolarHBondContact NH2-OD1 3.35Å; R53-D140 IonicContact NH2-OD2 3.45Å; R53-D140 PolarHBondContact NH2-OD2 2.75Å; D140-A142 PolarHBondContact O-N 3.49Å
141Y78.4Confident66.9Low47 Ų4793.8 Ų93.818%0.18448%0.484CS..THydrogen-bonded Turntrans-80.4-0.2175.757.5-107.2000113.7F32 V37 F41 I139 E143 L144 L145F32-Y141 AromaticContact CE1-CD2 4Å; F32-Y141 HydrophobicContact CE1-CD2 4Å; F32-Y141 HydrophobicContact CE1-CG 4.27Å; F32-Y141 HydrophobicContact CZ-CD2 4.35Å; F32-Y141 HydrophobicContact CZ-CG 4.3Å; V37-Y141 HydrophobicContact CB-CD1 4.3Å; V37-Y141 HydrophobicContact CB-CE1 3.74Å; V37-Y141 HydrophobicContact CB-CE2 4.34Å; V37-Y141 HydrophobicContact CG1-CD1 3.61Å; V37-Y141 HydrophobicContact CG1-CE1 3.52Å; V37-Y141 HydrophobicContact CG1-CG 4.23Å; V37-Y141 HydrophobicContact CG2-CD1 4.45Å; V37-Y141 HydrophobicContact CG2-CD2 4.2Å; V37-Y141 HydrophobicContact CG2-CE1 3.98Å; V37-Y141 HydrophobicContact CG2-CE2 3.65Å; F41-Y141 HydrophobicContact CD1-CD1 4.48Å; I139-Y141 VanDerWaalsContact C-N 3.3Å; I139-Y141 HydrophobicContact CB-CE2 4.49Å; I139-Y141 HydrophobicContact CG2-CD1 3.68Å; I139-Y141 HydrophobicContact CG2-CD2 3.41Å; I139-Y141 VanDerWaalsContact CG2-CD2 3.41Å; I139-Y141 HydrophobicContact CG2-CE1 3.38Å; I139-Y141 HydrophobicContact CG2-CE2 3.13Å; I139-Y141 HydrophobicContact CG2-CG 3.65Å; I139-Y141 PolarHBondContact O-N 3.43Å; Y141-E143 VanDerWaalsContact C-N 3.25Å; Y141-E143 PolarHBondContact O-N 2.81Å; Y141-L144 WeakPolarHBondContact O-CB 3.36Å; Y141-L144 PolarHBondContact O-N 3.18Å; Y141-L144 VanDerWaalsContact O-N 3.14Å; Y141-L145 HydrophobicContact CD2-CD1 3.76Å; Y141-L145 HydrophobicContact CD2-CG 4.44Å; Y141-L145 HydrophobicContact CE2-CD1 4.11Å; Y141-L145 PolarHBondContact O-N 3.47Å
142A75.2Confident64.2Low29 Ų2998.3 Ų98.324%0.2452%0.515CS..Hα-helixtrans-61.9-35.7178.800000111.9I139 D140 L144 L145 F146I139-A142 HydrophobicContact CB-CB 4.22Å; I139-A142 WeakPolarHBondContact O-CB 3.35Å; I139-A142 PolarHBondContact O-N 2.65Å; D140-A142 PolarHBondContact O-N 3.49Å; A142-L144 PolarHBondContact O-N 2.97Å; A142-L145 PolarHBondContact O-N 3.09Å; A142-F146 HydrophobicContact CB-CD2 4.19Å; A142-F146 VanDerWaalsContact O-CD2 3.3Å; A142-F146 WeakPolarHBondContact O-CD2 3.14Å; A142-F146 PolarHBondContact O-N 3.34Å
143E75.1Confident61.9Low109 Ų109106.7 Ų106.751%0.50954%0.539SS..Hα-helixtrans-65.6-26.4179-63.2-176.9-168.300112.4R138 Y141 S147R138-E143 IonicContact CZ-OE1 3.95Å; R138-E143 IonicContact NE-OE1 3Å; R138-E143 IonicContact NH2-OE1 3.84Å; R138-E143 PolarHBondContact NH2-OE1 3.14Å; Y141-E143 VanDerWaalsContact C-N 3.25Å; Y141-E143 PolarHBondContact O-N 2.81Å; E143-S147 PolarHBondContact O-OG 2.84Å; E143-S147 VanDerWaalsContact O-OG 3.14Å
144L75.4Confident59.6Low4 Ų4109.5 Ų109.52%0.02156%0.563CS.*Hα-helixtrans-78.8-32.7176.4-69.8171.2000113.3F20 F23 F41 I44 Y141 A142F20-L144 HydrophobicContact CD2-CD2 4.03Å; F20-L144 HydrophobicContact CE2-CD2 4.1Å; F23-L144 HydrophobicContact CD1-CD1 3.96Å; F23-L144 HydrophobicContact CD1-CD2 3.57Å; F23-L144 HydrophobicContact CD1-CG 4.24Å; F23-L144 HydrophobicContact CE1-CB 4.18Å; F23-L144 HydrophobicContact CE1-CD1 3.59Å; F23-L144 HydrophobicContact CE1-CD2 3.98Å; F23-L144 HydrophobicContact CE1-CG 4.14Å; F23-L144 HydrophobicContact CG-CD2 4.4Å; F23-L144 HydrophobicContact CZ-CD1 4.09Å; F41-L144 HydrophobicContact CE1-CD1 4.3Å; F41-L144 HydrophobicContact CZ-CD1 4.33Å; I44-L144 HydrophobicContact CD1-CD2 3.26Å; I44-L144 HydrophobicContact CD1-CG 4.16Å; I44-L144 HydrophobicContact CG1-CD1 4.35Å; I44-L144 HydrophobicContact CG1-CD2 3.81Å; I44-L144 HydrophobicContact CG1-CG 4.34Å; Y141-L144 WeakPolarHBondContact O-CB 3.36Å; Y141-L144 PolarHBondContact O-N 3.18Å; Y141-L144 VanDerWaalsContact O-N 3.14Å; A142-L144 PolarHBondContact O-N 2.97Å
145L70.4Confident58.3Low68 Ų68109.8 Ų109.836%0.35656%0.561SS.*Hα-helixtrans-87.9-34.4-178.3-64.1179.5000112.1L28 F32 Y141 A142L28-L145 HydrophobicContact CD1-CD2 4.22Å; F32-L145 HydrophobicContact CD1-CD1 4.33Å; F32-L145 HydrophobicContact CD1-CD2 3.94Å; F32-L145 HydrophobicContact CD2-CD2 4.13Å; F32-L145 HydrophobicContact CE1-CD1 3.87Å; F32-L145 HydrophobicContact CE1-CD2 3.8Å; F32-L145 HydrophobicContact CE1-CG 4.08Å; F32-L145 HydrophobicContact CE2-CD2 3.98Å; F32-L145 HydrophobicContact CG-CD2 4.12Å; F32-L145 HydrophobicContact CZ-CD1 4.41Å; F32-L145 HydrophobicContact CZ-CD2 3.83Å; F32-L145 HydrophobicContact CZ-CG 4.16Å; Y141-L145 HydrophobicContact CD2-CD1 3.76Å; Y141-L145 HydrophobicContact CD2-CG 4.44Å; Y141-L145 HydrophobicContact CE2-CD1 4.11Å; Y141-L145 PolarHBondContact O-N 3.47Å; A142-L145 PolarHBondContact O-N 3.09Å
146F65.3Low57.4Low156 Ų156112.8 Ų112.868%0.68458%0.582SS**  trans-114.657.7-174.8-52.8-69.3000110.9A142 Q148A142-F146 HydrophobicContact CB-CD2 4.19Å; A142-F146 VanDerWaalsContact O-CD2 3.3Å; A142-F146 WeakPolarHBondContact O-CD2 3.14Å; A142-F146 PolarHBondContact O-N 3.34Å; F146-Q148 PolarHBondContact O-N 3.02Å
147S58.8Low56.6Low62 Ų62112.7 Ų112.743%0.43457%0.57SS.*  trans-74.369.6167.8-45.80000109.9F20 E143F20-S147 WeakPolarHBondContact CZ-OG 3.4Å; E143-S147 PolarHBondContact O-OG 2.84Å; E143-S147 VanDerWaalsContact O-OG 3.14Å
148Q44.9Very low55.6Low170 Ų170111.5 Ų111.579%0.79456%0.563SS**  trans-140.375.3175.1-75.6-762.600110.2F146F146-Q148 PolarHBondContact O-N 3.02Å
149R37.3Very low54.1Low220 Ų220110 Ų11083%0.8357%0.573SS**  158.9140.4126.1-87.7174.6-1761742.4107.8R151R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.25Å
150P41.1Very low52.1Low122 Ų122112.8 Ų112.879%0.79259%0.589SS**  trans-55.9106.5157.825.4-29.3000105.5S152P150-S152 PolarHBondContact O-N 3.5Å
151R40.7Very low50.2Low236 Ų236118.7 Ų118.789%0.89162%0.62SS**  trans-67.791.3165.4-157.6173.2-174.7162.40.4102.6R149 Y153R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 3.25Å; R151-Y153 VanDerWaalsContact C-N 3.33Å; R151-Y153 PolarHBondContact O-N 2.79Å
152S35.2Very low48.1Very low96 Ų96124.7 Ų124.767%0.67166%0.655SS**  trans-45.9113.4162.2-75.90000104.7P150 S154P150-S152 PolarHBondContact O-N 3.5Å; S152-S154 PolarHBondContact O-N 3.39Å
153Y39.7Very low46.4Very low208 Ų208135 Ų13582%0.81669%0.688SS**  trans-56.684.7151.234.2-88.3000104.7R151 T155R151-Y153 VanDerWaalsContact C-N 3.33Å; R151-Y153 PolarHBondContact O-N 2.79Å; Y153-T155 PolarHBondContact O-N 3.23Å
154S34.3Very low44.5Very low105 Ų105138.2 Ų138.273%0.73470%0.703SS**  trans-7082.3152.1-174.90000103.4S152 S156S152-S154 PolarHBondContact O-N 3.39Å; S154-S156 PolarHBondContact O-N 3.18Å
155T38Very low42.7Very low102 Ų102143.9 Ų143.963%0.62674%0.74SS**  trans-56103.1155.1-23.70000103.4Y153 V157Y153-T155 PolarHBondContact O-N 3.23Å; T155-V157 HydrophobicContact CG2-CG2 3.63Å; T155-V157 PolarHBondContact O-N 3.07Å
156S44.6Very low40.9Very low113 Ų113148.2 Ų148.279%0.7976%0.763SS**  trans-68.369.316661.40000107.3S154S154-S156 PolarHBondContact O-N 3.18Å
157V41.3Very low39.5Very low110 Ų110150 Ų15067%0.66777%0.774SS**  trans-96.8101.9161.1-1740000104.4T155 P159T155-V157 HydrophobicContact CG2-CG2 3.63Å; T155-V157 PolarHBondContact O-N 3.07Å; V157-P159 VanDerWaalsContact O-CD 3.3Å; V157-P159 WeakPolarHBondContact O-CD 3.38Å
158L40.2Very low38.4Very low141 Ų141152.1 Ų152.174%0.73879%0.789SS**  trans-45.2117.8164.2-137.591.4000108.5N160L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 2.81Å; L158-N160 VanDerWaalsContact O-N 3.14Å
159P37Very low37.8Very low127 Ų127153.1 Ų153.183%0.82579%0.793SS**  trans-82.591.5162.522.7-10.4000106.3V157V157-P159 VanDerWaalsContact O-CD 3.3Å; V157-P159 WeakPolarHBondContact O-CD 3.38Å
160N40.3Very low38Very low124 Ų124148 Ų14866%0.66379%0.789SS**  trans-76.7137.3164-140.99.5000107.9L158L158-N160 VanDerWaalsContact C-N 3.32Å; L158-N160 PolarHBondContact O-N 2.81Å; L158-N160 VanDerWaalsContact O-N 3.14Å
161N40.7Very low37.5Very low143 Ų143151.1 Ų151.177%0.76579%0.792SS**  trans92.374.8172.4-49.4-70.1000117.4
162L34.8Very low37.4Very low174 Ų174145.5 Ų145.591%0.91179%0.787SS**  trans-102.1107.3138.2-86.4157.1000108.3Q164L162-Q164 PolarHBondContact O-N 3.46Å
163R38.4Very low37.7Very low244 Ų244145 Ų14592%0.92179%0.789SS**  trans-57.8113171175.5-179.8157-164.8-5.1109.6
164Q35.3Very low37.8Very low178 Ų178142.5 Ų142.583%0.83279%0.789SS**PPolyproline II helixtrans-85.8140.5166.5-74.4-173.75.100110.4L162L162-Q164 PolarHBondContact O-N 3.46Å
165P37.6Very low37.8Very low123 Ų123146.9 Ų146.980%0.79980%0.798SS**PPolyproline II helixtrans-77.2140.1162.232.2-28.8000109.8
166N33.6Very low38.6Very low158 Ų158150 Ų15085%0.84581%0.81SS**PPolyproline II helixtrans-75.5119.8-175.5-150.86.7000110.1
167Q35.3Very low38.9Very low194 Ų194149.9 Ų149.991%0.90781%0.807SS**  trans-142129.6155-81.3-165.9-6.900110.4
168S35.7Very low39.2Very low107 Ų107150.8 Ų150.875%0.74882%0.815SS**  trans-93.5131.8-166.5420000113.3
169Q33Very low39.8Very low191 Ų191148.9 Ų148.989%0.89382%0.819SS**  trans176.3163136.9-105.2-168.6-81.800112.5
170P41.3Very low40.4Very low112 Ų112150.5 Ų150.573%0.72782%0.82SS**  trans-105159.1-135.631-14.9000115.5
171Q30Very low40.6Very low187 Ų187150.6 Ų150.687%0.87483%0.827SS**PPolyproline II helixtrans-88.6148.9170.9-68.5-133.5-46.400112.7
172P39.8Very low40.7Very low119 Ų119153.6 Ų153.677%0.77383%0.829SS**PPolyproline II helixtrans-95.9160.1151.335.2-26.1000111.9
173A40.3Very low41.3Very low86 Ų86156.3 Ų156.371%0.71183%0.828SS**PPolyproline II helixtrans-82.6170.6-159.700000116.7
174N41.9Very low41.6Very low154 Ų154149.2 Ų149.282%0.82481%0.813SS**  trans84.1116.9158.3-65.5-16.7000117.8
175E35.8Very low42.1Very low198 Ų198148 Ų14893%0.92581%0.812SS**  -168.7113.4118-101.5172.2-165.700110.9
176L53.7Low42.1Very low168 Ų168148.4 Ų148.488%0.8881%0.808SS**PPolyproline II helixtrans-76.6150.5164.1-87150.9000109.4
177P50.8Low42.5Very low110 Ų110147.5 Ų147.571%0.71480%0.802SS**PPolyproline II helixtrans-73.7153.6176.831.5-33.3000111.8
178P48.9Very low42.5Very low129 Ų129147.9 Ų147.984%0.83880%0.795SS**PPolyproline II helixtrans-76134.2-173.630.2-32.6000112.1
179A51.2Low42.5Very low100 Ų100148.9 Ų148.983%0.82679%0.792SS**PPolyproline II helixtrans-76.2146.2172.400000111.9
180L49.5Very low42.6Very low162 Ų162145.7 Ų145.785%0.84879%0.791SS**PPolyproline II helixtrans-65148176.6-68.1172.8000112.2Y182L180-Y182 PolarHBondContact O-N 2.97Å
181P44.1Very low42.5Very low125 Ų125144.7 Ų144.781%0.81279%0.792SS**PPolyproline II helixtrans-69.7132.4-177.326.8-32.5000112.6
182Y44.6Very low42.7Very low207 Ų207144 Ų14481%0.81279%0.793SS**PPolyproline II helixtrans-65.9134.1175.5178.4-98.6000112L180 P184L180-Y182 PolarHBondContact O-N 2.97Å; Y182-P184 HydrophobicContact CE1-CB 4.28Å
183R46.4Very low42.4Very low231 Ų231147.9 Ų147.987%0.87280%0.799SS**  trans-105.1117.6174.8-160.1-178.3-159.9164.45.4109.7
184P44.8Very low42.1Very low94 Ų94151 Ų15161%0.6180%0.803SS**  trans-75.6136.7177.827.6-30.1000111.1Y182Y182-P184 HydrophobicContact CE1-CB 4.28Å
185N45.9Very low42.2Very low153 Ų153149 Ų14982%0.81880%0.798SS**  trans-102.1114.9175.8-168.723.3000108.2
186N37.8Very low42.1Very low132 Ų132146.8 Ų146.871%0.70679%0.792SS**  trans-146.6116169.5-82.7-51.6000112.1
187L40.9Very low41.4Very low138 Ų138143.8 Ų143.872%0.72379%0.785SS**  trans42.3114.7142.2-75.3113.3000119
188R35.8Very low41.1Very low202 Ų202147.2 Ų147.276%0.76279%0.792SS**  94.9113.379.4-171.2178.4-176-153.13.4111.3
189N35.2Very low40.9Very low129 Ų129146.2 Ų146.269%0.6979%0.785SS**  trans64.7110.8158.5-58-3.3000118
190S36.2Very low40.7Very low124 Ų124148.5 Ų148.587%0.86778%0.784SS**  -169.5138.7108.3-77.70000110.8
191A38.8Very low40.3Very low91 Ų91151.2 Ų151.275%0.75278%0.783SS**  trans-57.9151.8175.100000112
192L34.6Very low40.5Very low171 Ų171153.2 Ų153.290%0.89579%0.786SS**  163.793.2129.7-81.2-179.9000109.2
193F32.6Very low40.8Very low202 Ų202152.7 Ų152.789%0.88678%0.784SS**  trans-102.7127.7154.8-80.7-72.1000104.6
194L35.3Very low40.8Very low152 Ų152147.3 Ų147.380%0.79678%0.778SS**  -165.6177.253.5-127.969.9000106.7
195P42.4Very low40.8Very low112 Ų112145.7 Ų145.773%0.72777%0.769SS**  cis-141.1167.220.541.2-20.3000118.5
196N33.9Very low41.1Very low150 Ų150145.6 Ų145.680%0.80277%0.768SS**  trans81.697.1142.8-142.622.7000118.8
197S39.9Very low41.8Very low105 Ų105146.5 Ų146.573%0.73477%0.768SS**  167.2118.8119.257.70000109.1
198Q45.1Very low42.3Very low182 Ų182147.8 Ų147.885%0.8577%0.77SS**  trans-63.7152.9166.5-67.4-145-14.700110.6
199P44.5Very low42.7Very low108 Ų108144.4 Ų144.470%0.70177%0.768SS**  -142.4147.3108.830.5-12.8000115.2
200N46.5Very low43.3Very low148 Ų148145.4 Ų145.479%0.79177%0.772SS**  trans69.381.3148.3-59-15.6000118.5
201R41.7Very low43.8Very low219 Ų219147.8 Ų147.883%0.82677%0.769SS**  trans-92.2119.4153.2-129.1-178.6-168.5-169.52109.2Y203R201-Y203 VanDerWaalsContact C-N 3.26Å; R201-Y203 PolarHBondContact O-N 2.7Å
202L47.3Very low44.3Very low167 Ų167150.4 Ų150.487%0.87477%0.766SS**SBendtrans-7910.3-175.5-88.5161.2000115
203Y50.8Low44.6Very low197 Ų197151.2 Ų151.277%0.77376%0.762SS**SBendtrans-153.6134.1174.9-110.3-88.5000111.1R201R201-Y203 VanDerWaalsContact C-N 3.26Å; R201-Y203 PolarHBondContact O-N 2.7Å
204P46.2Very low45.1Very low117 Ų117146.6 Ų146.676%0.7676%0.761SS**  trans-72.2134.8169-11.327.1000110.7
205S45Very low45.6Very low60 Ų60143.6 Ų143.642%0.4276%0.759SS.*  trans-84.9138167.1116.30000108.6E207S205-E207 WeakPolarHBondContact CB-OE2 3.34Å; S205-E207 PolarHBondContact O-N 2.83Å; S205-E207 VanDerWaalsContact O-N 3.09Å; S205-E207 PolarHBondContact OG-OE2 3.33Å
206L52.1Low45.6Very low152 Ų152144.4 Ų144.480%0.79676%0.764SS**THydrogen-bonded Turntrans-78.116.9-173.7-70.4170.5000113.4
207E53.1Low46.4Very low151 Ų151145.2 Ų145.271%0.70677%0.767SS**THydrogen-bonded Turntrans-87.5-16.6177.6-81.785.6-163.100113.8S205S205-E207 WeakPolarHBondContact CB-OE2 3.34Å; S205-E207 PolarHBondContact O-N 2.83Å; S205-E207 VanDerWaalsContact O-N 3.09Å; S205-E207 PolarHBondContact OG-OE2 3.33Å
208E52.1Low46.5Very low164 Ų164146 Ų14677%0.76677%0.77SS**SBendtrans-94.3-14.1-173.6-84.1171.5153.800115.5
209D44Very low46.1Very low132 Ų132142.3 Ų142.371%0.70677%0.771SS**THydrogen-bonded Turntrans-95.72.1-174.7-120.35.1000115
210L48.1Very low46.7Very low150 Ų150142.7 Ų142.779%0.78578%0.776SS**THydrogen-bonded Turntrans-93.94.1176.7-83.5165.9000114.5
211Q46.3Very low46.5Very low173 Ų173141.6 Ų141.681%0.80878%0.777SS**SBendtrans-94.42.9176.1-65.5-165.9-2.600114.5
212H49.1Very low46.4Very low147 Ų147135.6 Ų135.668%0.68177%0.774SS**SBendtrans-116.840.4178.4-66.389.9000113.6
213F39.9Very low46.1Very low187 Ų187133.7 Ų133.782%0.8277%0.772SS**  trans-139.584.3160.8-76.7-76.9000110.3A215F213-A215 PolarHBondContact O-N 2.76Å
214A43.2Very low45.4Very low105 Ų105131.7 Ų131.787%0.86877%0.774SS**  trans-65.1109.5164.500000109.1
215A45.3Very low45Very low89 Ų89132.5 Ų132.574%0.73678%0.777SS**PPolyproline II helixtrans-76.4139.3167.500000110F213F213-A215 PolarHBondContact O-N 2.76Å
216P44.3Very low44.6Very low130 Ų130140.9 Ų140.984%0.84480%0.8SS**PPolyproline II helixtrans-71137.6175.8-11.426.5000111.4
217L49.5Very low43.9Very low166 Ų166143.2 Ų143.287%0.86980%0.803SS**PPolyproline II helixtrans-62.5151.1174.5-73.5162.6000112.5
218P41.6Very low43Very low121 Ų121141.6 Ų141.679%0.78681%0.808SS**PPolyproline II helixtrans-78.1131.6175.231.3-31.5000111.3
219A38.5Very low42.1Very low105 Ų105138 Ų13887%0.86880%0.802SS**PPolyproline II helixtrans-77.1130.3173.600000111.1
220S55.3Low42.1Very low116 Ų116137 Ų13781%0.81180%0.803SS**PPolyproline II helixtrans-85.6153.2170.6-1370000111
221P44Very low41.3Very low125 Ų125140.3 Ų140.381%0.81281%0.805SS**PPolyproline II helixtrans-87.3145.4-171.734.7-31.2000112.5
222A38.5Very low40.9Very low94 Ų94140.1 Ų140.178%0.77781%0.807SS**  trans-135.5157.5170.800000110.7
223P40.6Very low40.7Very low126 Ų126141 Ų14182%0.81881%0.812SS**  trans-93.9164.6-137.635.5-36.1000116.5
224N35.9Very low41Very low155 Ų155137.6 Ų137.683%0.82981%0.809SS**  trans-37.8139.1177.7-78.2-66.6000117.7
225V38Very low40.9Very low135 Ų135138.6 Ų138.682%0.81881%0.806SS**  trans-123.2114.1142.8178.10000108.9
226R37.5Very low40.6Very low235 Ų235143.5 Ų143.589%0.88781%0.814SS**  trans-58.9129169.1-81.2177.2-178.5168.60.7110.5
227K37.1Very low40.7Very low202 Ų202143.6 Ų143.688%0.87881%0.812SS**  trans-133.1139.7139-70.7-172.4-178.2175.20109
228S34.8Very low40.6Very low116 Ų116141.7 Ų141.781%0.81181%0.809SS**  trans-67.2141.7-164.344.40000115.8
229S33.8Very low40.2Very low89 Ų89143.3 Ų143.362%0.62281%0.811SS**  trans-4.2161.6145.8-98.70000120
230P43.9Very low40.1Very low112 Ų112146.7 Ų146.773%0.72780%0.801SS**  cis-142143.236.629.5-5.3000119.5
231W31.4Very low39.1Very low219 Ų219149.2 Ų149.283%0.8381%0.806SS**  trans30.8112.8130.4-65.885.5000119.7
232I37.3Very low38.7Very low168 Ų168149.7 Ų149.786%0.86280%0.797SS**  trans-111.9120.2155.6-62.2179.5000107.4
233Q44.7Very low38.4Very low165 Ų165151.8 Ų151.877%0.77180%0.799SS**PPolyproline II helixtrans-75.4148.7179-65.3178.4-22.400111.3
234P45.3Very low37.9Very low117 Ų117151.6 Ų151.676%0.7680%0.796SS**PPolyproline II helixtrans-75151.7166.531.4-31.5000110.9
235P41.9Very low37.8Very low126 Ų126152.7 Ų152.782%0.81880%0.796SS**PPolyproline II helixtrans-71.8140.6-168.628.2-33.3000113.2
236E39.4Very low37.7Very low191 Ų191155 Ų15589%0.89380%0.795SS**PPolyproline II helixtrans-63140.2176.1-87.9175.211800113.4
237V46.4Very low37.6Very low133 Ų133152.3 Ų152.381%0.80679%0.792SS**PPolyproline II helixtrans-91.2130.9166.8-173.30000108.2
238P46.3Very low37.6Very low125 Ų125150.1 Ų150.181%0.81279%0.79SS**PPolyproline II helixtrans-80.2133.2174.7-9.926.4000111.7
239L33.8Very low37.6Very low156 Ų156152.5 Ų152.582%0.81779%0.793SS**PPolyproline II helixtrans-103.8127.2170.6-172.270.9000111.6
240R36.8Very low37.5Very low175 Ų175154 Ų15466%0.6680%0.798SS**  trans43.3125.5155-81.3179.3156.8152.9-3.7120.8H242R240-H242 PolarHBondContact NE-NE2 3.3Å; R240-H242 PolarHBondContact NH2-NE2 2.6Å
241N33.8Very low36.8Very low170 Ų170154.1 Ų154.191%0.90980%0.8SS**  -115.9132.4128.3-82.5-22.3000109.9
242H36.7Very low36.8Very low135 Ų135148.3 Ų148.363%0.62579%0.793SS**  trans-85.3175.6169.7-89.5-82.4000111R240R240-H242 PolarHBondContact NE-NE2 3.3Å; R240-H242 PolarHBondContact NH2-NE2 2.6Å
243V31.8Very low36.6Very low138 Ų138151.3 Ų151.384%0.83679%0.794SS**  trans106.4120.5172.9179.70000110.8
244V29.4Very low35.9Very low122 Ų122148.5 Ų148.574%0.73979%0.788SS**  cis-153.1153.613.5115.80000111.3
245Q33.5Very low35.2Very low177 Ų177148.2 Ų148.283%0.82778%0.784SS**  trans-93.2124.7177.6-164.7174.66.100109.6
246K36.6Very low34.7Very low184 Ų184150.3 Ų150.380%0.879%0.785SS**  trans-141.197.4159.5-83.6-168.4174.1-1770107.6
247Q35.7Very low34.3Very low179 Ų179146.8 Ų146.884%0.83678%0.776SS**  73.5110.693.2-70.9-179.719.800113.3
248N36.1Very low33.5Very low156 Ų156144.8 Ų144.883%0.83477%0.768SS**  trans-53.5154.1166.7-71.9-55.7000113.1
249L36.1Very low32.7Very low166 Ų166146 Ų14687%0.86977%0.768SS**  trans-169108.1138.9-87.3173000105.9
250V29.9Very low32.8Very low120 Ų120143 Ų14373%0.72776%0.76SS**  67.3127.681.4176.80000115.3
251C30.1Very low32.5Very low115 Ų115139.9 Ų139.978%0.77777%0.765SS**  trans71.1145.6163.3-84.60000117.4
252S31.5Very low32.3Very low97 Ų97136.7 Ų136.768%0.67876%0.756SS**  cis-174143.60.5-105.10000108.9
253R32.4Very low31.9Very low230 Ų230136.3 Ų136.387%0.86876%0.764SS**  trans56.6145.1132.9-141.1-178.6-120.1-169.6-1.1121.6
254T30.5Very low32.9Very low106 Ų106135.1 Ų135.165%0.6576%0.758SS**  trans94.494147.4-200000114.7
255T31.1Very low32.9Very low112 Ų112134.5 Ų134.569%0.68776%0.76SS**  78.3142.587.669.50000116.4
256M31.1Very low32.7Very low170 Ų170130.1 Ų130.184%0.83775%0.753SS**  trans73151.4159.7-53.7-54.1-16400115.9
257V30.3Very low32.6Very low117 Ų117127.9 Ų127.971%0.70976%0.755SS**  cis-169.5158.5-14.5133.40000103.8
258S30.8Very low32.5Very low91 Ų91127.2 Ų127.264%0.63675%0.752SS**  trans-25.3170.9170.1-41.40000121.8
259D29.8Very low32.4Very low150 Ų150131.7 Ų131.780%0.80276%0.757SS**  trans88.9141.1150.2-61.4-25.3000116.7
260S34.8Very low32.3Very low92 Ų92131.7 Ų131.764%0.64375%0.751SS**  cis-177.2153.1-647.80000107.2
261S29.7Very low32.2Very low111 Ų111133.6 Ų133.678%0.77676%0.756SS**  trans62.8156.8149.693.50000116.7
262S30Very low32.2Very low102 Ų102135.8 Ų135.871%0.71375%0.752SS**  cis-159.8157.113.6-66.20000107.7
263T28.7Very low32.2Very low128 Ų128137.3 Ų137.379%0.78576%0.758SS**  trans-56.6-165.516349.70000113.9
264P52Low32Very low112 Ų112132.8 Ų132.873%0.72775%0.751SS**  cis-138.5-171.9-14.617.29.7000114.8
265S29.4Very low32.3Very low110 Ų110134.7 Ų134.777%0.76976%0.756SS**  trans100.8102.1136.7-129.20000116.5
266A31.1Very low32.4Very low84 Ų84137.3 Ų137.369%0.69476%0.76SS**  88.1123.775.700000113.5
267T32.9Very low32.4Very low137 Ų137134.5 Ų134.584%0.8476%0.757SS**  -179.9139.9124.4-70.40000110.1
268E34.1Very low32.5Very low166 Ų166135.4 Ų135.478%0.77676%0.763SS**  trans-87.2167-162.2-48172.5126.800114.4
269R34.3Very low32.5Very low249 Ų249140.1 Ų140.194%0.9477%0.772SS**  -167.4132.9124.6-101.8166.6-169.4129.50.7113
270K33Very low32.5Very low167 Ų167139.2 Ų139.273%0.72677%0.766SS**  trans-82.7159.9-175.9-77172.7171.3171.80114.2
271L27.6Very low32.4Very low160 Ų160144.2 Ų144.284%0.83878%0.779SS**  -163.4104.2126.7-95.3140.7000109.3
272F31Very low32.6Very low160 Ų160145.1 Ų145.170%0.70278%0.775SS**  62.5118.5107-73.6-77.5000114.7
273T32.1Very low32.7Very low130 Ų130148.2 Ų148.280%0.79878%0.783SS**  -157123.767.147.40000111.4
274N27.6Very low33.6Very low134 Ų134152.1 Ų152.172%0.71778%0.783SS**  53.4121.888.1-146.72.6000114
275I37.3Very low33Very low147 Ų147152.2 Ų152.275%0.75478%0.784SS**  cis-162.4126.849.3-67.7164.8000105.7
276Q32Very low33.1Very low166 Ų166151.5 Ų151.578%0.77678%0.779SS**  83113.858.6-151.7-174.648.400116.1
277S32.5Very low33.3Very low111 Ų111154 Ų15478%0.77679%0.785SS**  trans-160.298.1139.739.90000110.8
278V31.5Very low33.7Very low136 Ų136151.7 Ų151.782%0.82478%0.781SS**  72.2138.7108-171.50000115
279K30.3Very low34.4Very low191 Ų191150.2 Ų150.283%0.8378%0.782SS**  cis-174.4112.9-39.2176.7176.7-179.3-1770104.9
280L30.6Very low34.7Very low131 Ų131144.4 Ų144.469%0.68677%0.77SS**  trans0.8138.4142.6-151.8116.1000118.4
281Q32.6Very low35.5Very low197 Ų197144.4 Ų144.492%0.92178%0.777SS**  trans-138.3139132.3-71.5-161.530.800111.2
282D33.5Very low36.7Very low129 Ų129145.6 Ų145.669%0.6978%0.776SS**  trans-55156.1-177-78.1-63.6000114.9
283L32.8Very low37.5Very low167 Ų167143.3 Ų143.387%0.87478%0.779SS**  179.5117.7113.8-87.4162.5000108.6
284R46.8Very low38.5Very low210 Ų210145.1 Ų145.179%0.79278%0.783SS**  trans-60.8151.5165.3-68.3-89.2-88.4167.6-6.4108.8
285P40.7Very low39.4Very low115 Ų115148.4 Ų148.475%0.74779%0.791SS**  -139.9145.7107.625.4-7.1000114.7
286S31.5Very low40.1Very low95 Ų95151.4 Ų151.466%0.66480%0.799SS**  trans-57.4136.4161.6-65.10000111.3
287V34.5Very low40.7Very low135 Ų135153.4 Ų153.482%0.81881%0.805SS**  trans-104.7104.2162.5176.10000107.9
288A41.3Very low41.2Very low90 Ų90158.2 Ų158.274%0.74481%0.812SS**  trans-75.2127.7163.400000108.7N290A288-N290 PolarHBondContact O-N 2.6Å
289V49.3Very low41.8Very low134 Ų134160 Ų16081%0.81281%0.812SS**  trans-75.1107.2172.4-75.60000109.5L291V289-L291 PolarHBondContact O-N 3.47Å
290N39.9Very low42.2Very low128 Ų128158.8 Ų158.868%0.68481%0.806SS**  trans-89.2103.5175.4-167.8-46.6000109.9A288 K292A288-N290 PolarHBondContact O-N 2.6Å; N290-K292 VanDerWaalsContact C-N 3.3Å; N290-K292 PolarHBondContact O-N 3.03Å; N290-K292 VanDerWaalsContact O-N 3.15Å; N290-K292 WeakPolarHBondContact OD1-CB 3.41Å; N290-K292 PolarHBondContact OD1-N 3.47Å
291L50.7Low42.6Very low167 Ų167162.5 Ų162.587%0.87482%0.817SS**  trans-86.563.8179.9-138.1143.1000110V289V289-L291 PolarHBondContact O-N 3.47Å
292K52Low42.7Very low185 Ų185158.5 Ų158.580%0.80481%0.806SS**  trans-144.962175.1-63.8-173.8-179179.10112.7N290N290-K292 VanDerWaalsContact C-N 3.3Å; N290-K292 PolarHBondContact O-N 3.03Å; N290-K292 VanDerWaalsContact O-N 3.15Å; N290-K292 WeakPolarHBondContact OD1-CB 3.41Å; N290-K292 PolarHBondContact OD1-N 3.47Å
293S48.7Very low42.7Very low111 Ų111157.8 Ų157.878%0.77681%0.811SS**  trans-160.541.1165.1530000113.7
294L52.6Low43Very low169 Ų169157.3 Ų157.389%0.88581%0.81SS**  trans-124.474167.7-82.8164.9000109.3
295K46.4Very low43.1Very low203 Ų203152.8 Ų152.888%0.88381%0.807SS**  trans-172.3100.8163.2-112.1175.4177.6-177.30110.7
296K53.1Low43Very low209 Ų209153.4 Ų153.491%0.90981%0.811SS**  trans159.2100.4139.1-94175.6174.1176.70110.3
297K43.7Very low43.2Very low209 Ų209157.4 Ų157.491%0.90982%0.82SS**  trans-169.967.3137.7-102.1-179.6-175.3-173.80108.3
298F44Very low43.5Very low212 Ų212159 Ų15993%0.9382%0.823SS**  trans-119.597157.3-118.6-94000105.5
299Q42.2Very low43.1Very low174 Ų174161 Ų16181%0.81383%0.826SS**  trans-120.196.3167.2-77.2-79.540.100106.4
300K40.3Very low42.3Very low165 Ų165165.3 Ų165.372%0.71783%0.829SS**  40101.7127.6-162.3172.6-175.4176.50116
301K37.8Very low42.3Very low208 Ų208163.7 Ų163.790%0.90483%0.834SS**  trans-13389.3136.2-134.2179.3-177.7-174.80108.9
302T34.8Very low41.7Very low114 Ų114164.5 Ų164.570%0.69983%0.833SS**  trans-62.9123157.335.50000109.2
303S33.2Very low41.1Very low113 Ų113163.3 Ų163.379%0.7983%0.834SS**  trans-153.6118.5144.358.60000108.8
304N39.3Very low40.7Very low158 Ų158164.1 Ų164.185%0.84583%0.834SS**PPolyproline II helixtrans-61.5161.2172.8-76.8-19.6000112.2
305P48.5Very low40Very low115 Ų115164.9 Ų164.975%0.74783%0.833SS**PPolyproline II helixtrans-84.8150.5-179.935.3-32.2000110.9
306P39.5Very low39.5Very low127 Ų127158.5 Ų158.583%0.82583%0.825SS**PPolyproline II helixtrans-87.7141.7158.331.6-25.5000110.8
307E35.3Very low39.1Very low180 Ų180154 Ų15484%0.84182%0.817SS**PPolyproline II helixtrans-57155.6-180-66.5156.9151.200113.9V309E307-V309 PolarHBondContact O-N 3.36Å
308N41.5Very low38.6Very low168 Ų168151 Ų15190%0.89881%0.811SS**PPolyproline II helixtrans-53.5120.7164-70-36.3000110.4
309V33.3Very low38.1Very low132 Ų132147.5 Ų147.580%0.880%0.802SS**  trans-124.3121.9158.4178.20000107E307 A311E307-V309 PolarHBondContact O-N 3.36Å; V309-A311 PolarHBondContact O-N 3.41Å
310Y32.4Very low37.9Very low225 Ų225146.5 Ų146.588%0.88280%0.802SS**  trans-46.8123.1170.2-93.5-107.4000110.1E312Y310-E312 PolarHBondContact O-N 3.25Å
311A39.6Very low37.6Very low94 Ų94144 Ų14478%0.77780%0.804SS**  trans-78.7105.1161.500000107.8V309 I313V309-A311 PolarHBondContact O-N 3.41Å; A311-I313 PolarHBondContact O-N 2.97Å
312E36.9Very low37.5Very low183 Ų183142.4 Ų142.486%0.85580%0.801SS**  trans-52.8123.7158.9-79.1177.3127.900109Y310 T314Y310-E312 PolarHBondContact O-N 3.25Å; E312-T314 PolarHBondContact O-N 3.25Å
313I41.1Very low37.7Very low160 Ų160143.1 Ų143.182%0.82180%0.804SS**  trans-79.8100.9167.2-61.7169.7000106.3A311 Q315A311-I313 PolarHBondContact O-N 2.97Å; I313-Q315 PolarHBondContact O-N 2.82Å
314T39.5Very low38Very low129 Ų129143.7 Ų143.779%0.79180%0.803SS**  trans-63.8114.9168.7-44.40000109E312 G316E312-T314 PolarHBondContact O-N 3.25Å; T314-G316 PolarHBondContact O-N 3.3Å
315Q37.6Very low37.9Very low185 Ų185145.2 Ų145.286%0.86481%0.805SS**PPolyproline II helixtrans-62.6122.5169.2-72174.8-12.900110I313I313-Q315 PolarHBondContact O-N 2.82Å
316G35.5Very low37.3Very low69 Ų69146.7 Ų146.771%0.71181%0.807SS**PPolyproline II helixtrans-94.3147.6158.300000109.9T314T314-G316 PolarHBondContact O-N 3.3Å
317P45.4Very low37.1Very low114 Ų114148 Ų14874%0.7480%0.802SS**PPolyproline II helixtrans-87.5150.8-161.134.6-34.3000114.1
318N33.5Very low36.9Very low145 Ų145150.5 Ų150.578%0.77581%0.805SS**  trans68.7132.3160.1-60-8.9000115.5
319D33.9Very low37Very low140 Ų140149.8 Ų149.875%0.74980%0.797SS**  cis-154.2145.130.7-93.6-45000112.3
320L37.2Very low37.4Very low153 Ų153152 Ų15280%0.80180%0.798SS**  trans24.1139.5152.1-94.669.5000124.5
321S33Very low38Very low111 Ų111149.2 Ų149.278%0.77680%0.797SS**  trans75.4136.1149.971.30000116.3
322E37.5Very low38.1Very low176 Ų176150.9 Ų150.982%0.82280%0.798SS**  cis-164.1135.224.4-151.4171.4-168.300109
323V37.8Very low38.2Very low129 Ų129145.3 Ų145.378%0.78279%0.789SS**  trans16.5120.2144.1-174.70000119.2
324T39.2Very low38.2Very low124 Ų124146.4 Ų146.476%0.76179%0.791SS**  -171108.8117.538.70000109.6
325E36.6Very low38.2Very low191 Ų191148.2 Ų148.289%0.89380%0.795SS**  trans-93.2130170.1-66-172.1157.600109.3
326N36.5Very low38.3Very low146 Ų146144.9 Ų144.978%0.78179%0.787SS**  trans-119.888.5170.4-64.4-28.6000109.2
327E34.6Very low38.3Very low153 Ų153151.8 Ų151.872%0.71580%0.798SS**  trans14.9113.7139.3-156.1177.3160.600118.9Q329E327-Q329 HydrophobicContact CG-CG 4.41Å; E327-Q329 PolarHBondContact OE1-NE2 3.31Å
328Y32.3Very low37.8Very low233 Ų233158 Ų15891%0.91481%0.807SS**  trans-86122.6158.6-82.2-97.5000109
329Q43.5Very low37.8Very low154 Ų154155.5 Ų155.572%0.7281%0.806SS**  trans-97.1113.7173.2-90.5166.61.200111.4E327E327-Q329 HydrophobicContact CG-CG 4.41Å; E327-Q329 PolarHBondContact OE1-NE2 3.31Å
330E41.5Very low38.3Very low179 Ų179154.8 Ų154.884%0.83681%0.809SS**  trans-83.7110.6170.5-173.1175.1-154.900108.8T332E330-T332 PolarHBondContact O-N 3.21Å; E330-T332 VanDerWaalsContact O-N 3.16Å
331I44.5Very low38.6Very low166 Ų166153 Ų15385%0.85181%0.807SS**  trans-85.592.5178.4-56.4174000108.6
332T42.3Very low38.7Very low129 Ų129156.6 Ų156.679%0.79181%0.811SS**  trans-87.4125.6156.5-59.60000108.2E330E330-T332 PolarHBondContact O-N 3.21Å; E330-T332 VanDerWaalsContact O-N 3.16Å
333G38.4Very low38.6Very low66 Ų66156.6 Ų156.668%0.6881%0.811SS**  trans-162.291.3175.900000112.4
334E42.6Very low38.4Very low182 Ų182159.3 Ų159.385%0.8582%0.815SS**  trans-56.8135.8148.5-92.6-153129.600109
335L39.6Very low38.3Very low168 Ų168160.3 Ų160.388%0.8881%0.814SS**  trans-152.9120.1149.6-104.5165.2000110.2
336T38.4Very low38.4Very low114 Ų114158.2 Ų158.270%0.69981%0.809SS**  trans-71.2129.2-177.6-26.30000111.1
337F35.3Very low38.5Very low214 Ų214157.1 Ų157.194%0.93981%0.807SS**  trans-140.5138.9154.4-104.4-86.7000111.1
338R36Very low38.6Very low245 Ų245158.7 Ų158.793%0.92581%0.811SS**  trans-98.6124.1-158.6175.2-174.7-175.4-178.12.2111.7
339A32.5Very low39.3Very low92 Ų92155.9 Ų155.976%0.7681%0.812SS**  trans-165.9156155.600000111.2
340P44.4Very low39.3Very low125 Ų125155.2 Ų155.281%0.81281%0.813SS**  trans-91.6172.8-139.137.2-37000116.7
341P43.4Very low39.5Very low117 Ų117153.5 Ų153.576%0.7681%0.81SS**  trans-95.2145.2-146.336.2-32.5000114.1
342Q35.2Very low39.9Very low186 Ų186154.4 Ų154.487%0.86981%0.81SS**  trans-122.6104156.6-69.7-156.5-19.500110.3
343H35.8Very low40.3Very low175 Ų175156.2 Ų156.281%0.8181%0.812SS**  trans42.385.5150.5-62.7-80.1000117.8I345H343-I345 PolarHBondContact O-N 3.31Å
344H32.8Very low41.3Very low187 Ų187159.9 Ų159.987%0.86682%0.815SS**  trans-65.9117.5151.5-118-88.6000108.8
345I39Very low42Very low145 Ų145155 Ų15574%0.74480%0.799SS**  trans-92.4115.9154.2-64.6-175.9000106.2H343 V347H343-I345 PolarHBondContact O-N 3.31Å; I345-V347 HydrophobicContact CG2-CG2 4.04Å
346D37.9Very low42.8Very low146 Ų146155.8 Ų155.878%0.78180%0.798SS**  trans-77.5113.8173.2-160.73.2000108.4
347V38.2Very low43.8Very low123 Ų123158.8 Ų158.875%0.74580%0.804SS**  trans-132.2101.4164.2179.20000109I345I345-V347 HydrophobicContact CG2-CG2 4.04Å
348K37.9Very low44.8Very low186 Ų186157.7 Ų157.781%0.80980%0.795SS**  trans-0.5121151.6-82.2176.1168.9178.10116.7N350K348-N350 PolarHBondContact O-N 2.86Å
349L46.9Very low46.4Very low175 Ų175148.5 Ų148.592%0.91678%0.777SS**  trans-42.8114.5149-96.4150.9000110.9
350N42.3Very low48.3Very low140 Ų140149.8 Ų149.875%0.74978%0.78SS**  trans-144.6120155.6-132.765.4000109K348K348-N350 PolarHBondContact O-N 2.86Å
351D45.5Very low49.7Very low143 Ų143146.6 Ų146.677%0.76576%0.76SS**  trans62.4140.7162.3-85.6-39.3000121.8M353D351-M353 PolarHBondContact O-N 2.85Å
352Q53.3Low51.2Low184 Ų184144.2 Ų144.286%0.8674%0.744SS**  trans-57.1119.1179-54.4178.519.200111.6
353M50.8Low53Low168 Ų168141.7 Ų141.783%0.82874%0.744SS**  trans-136.8100.1154.4-82.2-161.269.800108.7D351D351-M353 PolarHBondContact O-N 2.85Å
354L59.4Low54.8Low142 Ų142141.4 Ų141.474%0.74374%0.74SS**  trans-59.1144.6159.1-77.6163.8000108.5Q356L354-Q356 PolarHBondContact O-N 3.4Å
355P57.3Low56.7Low80 Ų80134.2 Ų134.252%0.51971%0.714SS.*  trans-50.9137.8172.9-24.433.1000110.7E357 Y358P355-E357 PolarHBondContact O-N 3.03Å; P355-Y358 PolarHBondContact O-N 3.16Å
356Q56.7Low57.7Low185 Ų185134 Ų13486%0.86472%0.722SS**G310 helixtrans-58.8-9-175.7-156.1168.5-24.400113.9L354 Y358L354-Q356 PolarHBondContact O-N 3.4Å; Q356-Y358 VanDerWaalsContact C-N 3.33Å
357E59.3Low59Low176 Ų176130.9 Ų130.982%0.82272%0.724SS**G310 helixtrans-75.8-14.3176.2-162.4162.3-154.100113.9P355P355-E357 PolarHBondContact O-N 3.03Å
358Y56.3Low59.8Low191 Ų191137.3 Ų137.375%0.74974%0.736SS**G310 helixtrans-105.418.6176.9-72.5-87.9000113.8P355 Q356P355-Y358 PolarHBondContact O-N 3.16Å; Q356-Y358 VanDerWaalsContact C-N 3.33Å
359G70.6Confident60.9Low53 Ų53134.9 Ų134.955%0.54673%0.733SS.*SBendtrans-68.2157.4171.100000112.5
360S72.3Confident61.6Low119 Ų119132.7 Ų132.783%0.83272%0.723SS**PPolyproline II helixtrans-53.8136.6174.5-52.70000110.7
361P73.4Confident62.7Low58 Ų58132.3 Ų132.338%0.37772%0.722SS.*PPolyproline II helixtrans-61.9148.6-176.825.6-33.5000110.6A365 Y368P361-A365 HydrophobicContact CB-CB 4.06Å; P361-Y368 HydrophobicContact CG-CD2 3.62Å; P361-Y368 HydrophobicContact CG-CE2 3.6Å; P361-Y368 HydrophobicContact CG-CG 4.38Å
362P75.4Confident63.7Low67 Ų67131.7 Ų131.744%0.43572%0.719SS.*PPolyproline II helixtrans-62.2154.4-179.123.6-32000111.8F364 A365P362-F364 HydrophobicContact CB-CD1 4.35Å; P362-F364 HydrophobicContact CB-CD2 3.97Å; P362-F364 HydrophobicContact CB-CE1 3.84Å; P362-F364 HydrophobicContact CB-CE2 3.42Å; P362-F364 VanDerWaalsContact CB-CE2 3.42Å; P362-F364 HydrophobicContact CB-CG 4.43Å; P362-F364 HydrophobicContact CB-CZ 3.36Å; P362-F364 HydrophobicContact CG-CD2 3.97Å; P362-F364 HydrophobicContact CG-CE2 3.44Å; P362-F364 VanDerWaalsContact CG-CE2 3.44Å; P362-F364 HydrophobicContact CG-CZ 3.9Å; P362-F364 PolarHBondContact O-N 3.37Å; P362-A365 WeakPolarHBondContact O-CB 3.4Å; P362-A365 PolarHBondContact O-N 3.4Å
363P71.8Confident64.4Low132 Ų132128.4 Ų128.486%0.85771%0.71SS**THydrogen-bonded Turntrans-66.81.9-167.927.5-36.6000115.2
364F74.4Confident65.3Low169 Ų169125.8 Ų125.874%0.74170%0.703SS**THydrogen-bonded Turntrans-104.62.8176.732-94.5000112.9P362 P366P362-F364 HydrophobicContact CB-CD1 4.35Å; P362-F364 HydrophobicContact CB-CD2 3.97Å; P362-F364 HydrophobicContact CB-CE1 3.84Å; P362-F364 HydrophobicContact CB-CE2 3.42Å; P362-F364 VanDerWaalsContact CB-CE2 3.42Å; P362-F364 HydrophobicContact CB-CG 4.43Å; P362-F364 HydrophobicContact CB-CZ 3.36Å; P362-F364 HydrophobicContact CG-CD2 3.97Å; P362-F364 HydrophobicContact CG-CE2 3.44Å; P362-F364 VanDerWaalsContact CG-CE2 3.44Å; P362-F364 HydrophobicContact CG-CZ 3.9Å; P362-F364 PolarHBondContact O-N 3.37Å; F364-P366 WeakPolarHBondContact O-CD 3.44Å
365A71.9Confident65.7Low37 Ų37124.6 Ų124.631%0.30670%0.7SS.*SBendtrans-72.2120.317200000110.4P361 P362 G367P361-A365 HydrophobicContact CB-CB 4.06Å; P362-A365 WeakPolarHBondContact O-CB 3.4Å; P362-A365 PolarHBondContact O-N 3.4Å; A365-G367 PolarHBondContact O-N 3.22Å
366P60.2Low66.3Low140 Ų140128.1 Ų128.191%0.90971%0.714SS**THydrogen-bonded Turntrans-69.1118.4179.5-14.929.1000110.7F364F364-P366 WeakPolarHBondContact O-CD 3.44Å
367G65.8Low67.1Low80 Ų80123.3 Ų123.383%0.82570%0.701SS**THydrogen-bonded Turntrans121.35.1176.600000116A365A365-G367 PolarHBondContact O-N 3.22Å
368Y54.4Low67.9Low258 Ų258118.5 Ų118.5100%1.01269%0.69SS**  trans-1100160.6-91.1-86.9000111.3P361P361-Y368 HydrophobicContact CG-CD2 3.62Å; P361-Y368 HydrophobicContact CG-CE2 3.6Å; P361-Y368 HydrophobicContact CG-CG 4.38Å

Retrieved 368 of 368 residues in 215.5 ms (Link to these results)

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