A0A077Z2M7_TRITR Loading...

Poly(RC) binding protein 3

AlphaFold DB , UniProt , Accession A0A077Z2M7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 450 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
1M43.3Very low44.7Very low244 Ų244161.1 Ų161.1100%1.20282%0.823SS**  0127.20-81.9171.3175.200107.7
2N35.7Very low45.4Very low140 Ų140156 Ų15675%0.74981%0.808SS**  trans-15.3140.1171.5-58-31000117.5
3F42.4Very low45.3Very low195 Ų195157 Ų15786%0.85582%0.816SS**  -178.4121.597.3-101.9-80.2000111.1
4S40.9Very low46Very low96 Ų96157 Ų15767%0.67182%0.816SS**  trans-63.5160.6165.7-570000112.1
5N46.6Very low46Very low139 Ų139153.1 Ų153.174%0.74380%0.804SS**  179.4107.6123.5-83.9-17.8000111.5
6D46.8Very low46.1Very low136 Ų136154.8 Ų154.873%0.72781%0.812SS**  33126.3127.1-48.7-28.9000120.1
7K48.3Very low46.5Very low209 Ų209152.4 Ų152.491%0.90980%0.804SS**  -172.6122.6103.6-94.6160.8-169-175.50112.8
8E41.2Very low46.4Very low174 Ų174148.7 Ų148.781%0.81379%0.785SS**  trans-66138.2174.6-168.9164.3122.100112.2
9L47.9Very low46.8Very low172 Ų172149.8 Ų149.890%0.90179%0.791SS**  trans-133.8110.8155.7-116.5106.3000110.5
10T43.8Very low46.7Very low109 Ų109149.8 Ų149.867%0.66979%0.791SS**  trans-44127.8174.6-51.50000114.9
11I54.8Low46.8Very low158 Ų158151.6 Ų151.681%0.8179%0.787SS**PPolyproline II helixtrans-94.9116.8165.3-55.4172.7000107.7
12P53.1Low47Very low100 Ų100151.2 Ų151.265%0.64977%0.773SS**PPolyproline II helixtrans-81.4134.3172.731.1-29.4000110.9L14P12-L14 PolarHBondContact O-N 3.29Å
13N44.4Very low47.5Very low169 Ų169148 Ų14890%0.90477%0.765SS**PPolyproline II helixtrans-52.2128.6168.6-88.3-79.8000111.3
14L54.9Low47.5Very low157 Ų157149.9 Ų149.982%0.82277%0.767SS**  trans-126.8145.6165.7-88.3160000109.7P12P12-L14 PolarHBondContact O-N 3.29Å
15P46.6Very low47.7Very low99 Ų99153.3 Ų153.364%0.64378%0.777SS**  trans-83.1153.3-148.632.6-36.3000113.8V17P15-V17 HydrophobicContact CB-CG2 4.32Å; P15-V17 HydrophobicContact CG-CG2 4.29Å; P15-V17 PolarHBondContact O-N 2.87Å
16I47Very low47.5Very low179 Ų179152.6 Ų152.692%0.91878%0.778SS**  trans-60.991169.2-60.3171.1000108.7
17V52Low47Very low114 Ų114152.5 Ų152.569%0.69178%0.777SS**  trans-148.8129.8167.2-154.50000109.2P15P15-V17 HydrophobicContact CB-CG2 4.32Å; P15-V17 HydrophobicContact CG-CG2 4.29Å; P15-V17 PolarHBondContact O-N 2.87Å
18D44.7Very low46.6Very low86 Ų86153.8 Ų153.846%0.4678%0.776SS.*  trans76.654.5164.6-95.1-4.4000119.3N20 R21D18-N20 PolarHBondContact O-N 3.37Å; D18-R21 IonicContact OD2-CZ 3.5Å; D18-R21 IonicContact OD2-NE 3.37Å; D18-R21 PolarHBondContact OD2-NE 3.36Å; D18-R21 IonicContact OD2-NH2 2.87Å; D18-R21 PolarHBondContact OD2-NH2 3.33Å
19L53.9Low46.7Very low171 Ų171150.3 Ų150.390%0.89577%0.767SS**G310 helixtrans-70.4-7.6156.6-129.681.3000113.2R21L19-R21 PolarHBondContact O-N 3.28Å
20N45.1Very low46.5Very low149 Ų149147.5 Ų147.580%0.79776%0.761SS**G310 helixtrans-87.26.9-179.6-90.3-12.4000115.1D18D18-N20 PolarHBondContact O-N 3.37Å
21R48.9Very low46.4Very low187 Ų187145.4 Ų145.471%0.70676%0.755SS**G310 helixtrans-106.2-0.7179.3-140.6-178.4-74.3-160.60.7115.2D18 L19D18-R21 IonicContact OD2-CZ 3.5Å; D18-R21 IonicContact OD2-NE 3.37Å; D18-R21 PolarHBondContact OD2-NE 3.36Å; D18-R21 IonicContact OD2-NH2 2.87Å; D18-R21 PolarHBondContact OD2-NH2 3.33Å; L19-R21 PolarHBondContact O-N 3.28Å
22R48.3Very low45.9Very low237 Ų237143.6 Ų143.689%0.89475%0.754SS**SBendtrans-105.43178.9-90163.6172.4122.8-4.1115.3
23A46.3Very low45.8Very low72 Ų72144.5 Ų144.560%0.59576%0.757SS**  trans-98.817.3173.300000114.2
24R41.9Very low45.9Very low234 Ų234141.1 Ų141.188%0.88375%0.745SS**  trans-101.445.1172.9-78.8-162.9-169.7-123.95.2113.3
25L45.4Very low45.5Very low169 Ų169139.4 Ų139.489%0.88574%0.743SS**  trans-125.543.8162.9-77.1167.4000109.6
26T42.5Very low45.6Very low124 Ų124139.3 Ų139.376%0.76174%0.744SS**  trans-139.658.3174.756.40000108.9
27D35.2Very low45.9Very low133 Ų133138.2 Ų138.271%0.71174%0.739SS**  trans-164.873.1158.4-160.8-2.6000108.1T29D27-T29 PolarHBondContact O-N 3.12Å; D27-T29 PolarHBondContact OD1-N 3.19Å; D27-T29 VanDerWaalsContact OD1-N 3.11Å; D27-T29 PolarHBondContact OD1-OG1 3.02Å
28R39.7Very low46.5Very low237 Ų237137.1 Ų137.189%0.89474%0.737SS**  trans-89.479.8151.2-83.3-160.5173.9-165.1-0.2106.1S30R28-S30 PolarHBondContact O-N 3.24Å
29T43.7Very low48.3Very low101 Ų101136.7 Ų136.762%0.6274%0.738SS**  trans-21.4122145.4-34.70000108.7D27 A31D27-T29 PolarHBondContact O-N 3.12Å; D27-T29 PolarHBondContact OD1-N 3.19Å; D27-T29 VanDerWaalsContact OD1-N 3.11Å; D27-T29 PolarHBondContact OD1-OG1 3.02Å; T29-A31 VanDerWaalsContact C-N 3.3Å; T29-A31 PolarHBondContact O-N 2.94Å
30S43.6Very low50Low112 Ų112133 Ų13378%0.78372%0.722SS**  trans-28.789.6176.553.60000111.8R28R28-S30 PolarHBondContact O-N 3.24Å
31A43Very low52.2Low65 Ų65127.3 Ų127.354%0.53769%0.69SS.*  trans-63131.217100000104.6T29 V33T29-A31 VanDerWaalsContact C-N 3.3Å; T29-A31 PolarHBondContact O-N 2.94Å; A31-V33 PolarHBondContact O-N 3.36Å
32P43.8Very low54.2Low120 Ų120121.5 Ų121.578%0.77968%0.676SS**  trans-53.7113.2173.2-16.627.4000105.8P34P32-P34 WeakPolarHBondContact O-CD 3.31Å
33V51.2Low56.4Low120 Ų120110.4 Ų110.473%0.72763%0.634SS**  trans-53.4116.4167.8-170.80000102.9A31A31-V33 PolarHBondContact O-N 3.36Å
34P46.3Very low58.7Low98 Ų98109 Ų10964%0.63661%0.614SS**  trans-51.4137.5174.523.6-32.2000105.1P32 S36P32-P34 WeakPolarHBondContact O-CD 3.31Å; P34-S36 PolarHBondContact O-N 3.17Å
35P46.1Very low61.2Low121 Ų12197.9 Ų97.979%0.78657%0.572SS**  trans-54.498.3-178.222.1-32000106.4L37P35-L37 PolarHBondContact O-N 2.83Å
36S48Very low63.4Low96 Ų9690 Ų9067%0.67153%0.53SS*.  trans-59.4111.6179.951.70000101.5P34 S38P34-S36 PolarHBondContact O-N 3.17Å; S36-S38 WeakPolarHBondContact O-CA 3.41Å; S36-S38 PolarHBondContact O-N 3.11Å
37L53.3Low65.8Low156 Ų15684.3 Ų84.382%0.81750%0.495SS*.  trans-2.897.8178.4-89.8141.6000108.9P35 V39P35-L37 PolarHBondContact O-N 2.83Å; L37-V39 HydrophobicContact CB-CG2 4.14Å; L37-V39 WeakPolarHBondContact O-CG2 3.4Å; L37-V39 PolarHBondContact O-N 3.44Å
38S65Low68.4Low92 Ų9281.9 Ų81.964%0.64348%0.479SS*.  trans-70.969-170.758.50000108.5S36 V40S36-S38 WeakPolarHBondContact O-CA 3.41Å; S36-S38 PolarHBondContact O-N 3.11Å; S38-V40 PolarHBondContact O-N 3.36Å
39V83.9Confident70.8Confident77 Ų7772.1 Ų72.147%0.46745%0.452SS..  trans-69.3110.5178.2-174.80000104.3L37 Q41 L191L37-V39 HydrophobicContact CB-CG2 4.14Å; L37-V39 WeakPolarHBondContact O-CG2 3.4Å; L37-V39 PolarHBondContact O-N 3.44Å; V39-Q41 PolarHBondContact O-N 3.4Å; V39-L191 HydrophobicContact CB-CD2 4.13Å; V39-L191 HydrophobicContact CG1-CD2 3.42Å; V39-L191 VanDerWaalsContact CG1-CD2 3.42Å
40V88.4Confident72.9Confident93 Ų9374.7 Ų74.756%0.56446%0.455SS*.  trans-76115.6177177.60000106.8S38 T89S38-V40 PolarHBondContact O-N 3.36Å; V40-T89 HydrophobicContact CG1-CG2 3.32Å
41Q90.9Very high75.2Confident30 Ų3071.2 Ų71.214%0.1443%0.426CS..EExtended strand (participates in β ladder)trans-97.9146.3171.9-174.556.35400108.9V39 I43 T89 G90 I95 L191V39-Q41 PolarHBondContact O-N 3.4Å; Q41-I43 HydrophobicContact CG-CD1 4.01Å; Q41-I43 HydrophobicContact CG-CG1 4.21Å; Q41-T89 VanDerWaalsContact O-CA 3.32Å; Q41-T89 WeakPolarHBondContact O-CA 3.45Å; Q41-G90 PolarHBondContact N-O 3.34Å; Q41-G90 PolarHBondContact O-N 3.03Å; Q41-I95 HydrophobicContact CB-CD1 3.86Å; Q41-I95 HydrophobicContact CG-CD1 4.35Å; Q41-L191 HydrophobicContact CB-CD2 4.12Å; Q41-L191 HydrophobicContact CB-CG 4.43Å; Q41-L191 HydrophobicContact CG-CD2 4.44Å; Q41-L191 HydrophobicContact CG-CG 4.43Å
42T92.6Very high77.5Confident64 Ų6468.1 Ų68.139%0.39340%0.401SS..EExtended strand (participates in β ladder)trans-113.1130.3168.4-640000109.3R44 T87 T89T42-R44 HydrophobicContact CG2-CG 4.39Å; T42-T87 HydrophobicContact CG2-CG2 3.51Å; T42-T89 WeakPolarHBondContact CG2-OG1 3.5Å; T42-T89 VanDerWaalsContact OG1-CG2 3.31Å; T42-T89 WeakPolarHBondContact OG1-CG2 3.49Å; T42-T89 PolarHBondContact OG1-OG1 3.39Å
43I93.8Very high79.8Confident5 Ų564.3 Ų64.33%0.02638%0.383CS..EExtended strand (participates in β ladder)trans-121133178.8-65-60.9000108.2Q41 L45 T87 I88 I95 F99 L126 L190Q41-I43 HydrophobicContact CG-CD1 4.01Å; Q41-I43 HydrophobicContact CG-CG1 4.21Å; I43-L45 HydrophobicContact CG2-CD2 4.39Å; I43-L45 HydrophobicContact CG2-CG 4.49Å; I43-T87 CarbonylContact O-C 3.53Å; I43-T87 WeakPolarHBondContact O-CA 3.46Å; I43-I88 PolarHBondContact N-O 3.37Å; I43-I88 PolarHBondContact O-N 2.96Å; I43-I95 HydrophobicContact CG1-CD1 4.13Å; I43-I95 HydrophobicContact CG1-CG2 4.28Å; I43-F99 HydrophobicContact CG2-CE2 4.11Å; I43-F99 HydrophobicContact CG2-CZ 3.97Å; I43-L126 HydrophobicContact CG2-CD1 3.5Å; I43-L126 VanDerWaalsContact CG2-CD1 3.5Å; I43-L190 HydrophobicContact CD1-CD1 3.86Å
44R94.2Very high81.7Confident43 Ų4359.8 Ų59.816%0.16236%0.357CS..EExtended strand (participates in β ladder)trans-119.5119-177.4-63.8176.369.9-147.5-4.2109.5T42 I85 T87 L126 I127 E167 P201 Y202T42-R44 HydrophobicContact CG2-CG 4.39Å; R44-I85 HydrophobicContact CB-CG2 4.26Å; R44-T87 HydrophobicContact CG-CG2 4.08Å; R44-L126 WeakPolarHBondContact O-CD1 3.28Å; R44-I127 HydrophobicContact CB-CB 4.16Å; R44-I127 PolarHBondContact O-N 3.39Å; R44-E167 IonicContact CZ-OE2 3.71Å; R44-E167 IonicContact NH1-OE1 3.87Å; R44-E167 PolarHBondContact NH1-OE1 3.2Å; R44-E167 IonicContact NH1-OE2 2.74Å; R44-E167 PolarHBondContact NH1-OE2 3.4Å; R44-P201 VanDerWaalsContact NH1-CB 3.31Å; R44-Y202 PolarHBondContact NH2-O 3.24Å
45L94.4Very high83.9Confident0 Ų055.2 Ų55.20%033%0.327CS..EExtended strand (participates in β ladder)trans-105.9134.6178.9-60.3172.9000109.6I43 M47 I85 V86 I88 F99 F124 R125 L126 M183I43-L45 HydrophobicContact CG2-CD2 4.39Å; I43-L45 HydrophobicContact CG2-CG 4.49Å; L45-M47 HydrophobicContact CB-CE 4.26Å; L45-M47 HydrophobicContact CB-CG 4.46Å; L45-M47 HydrophobicContact CD1-CE 3.76Å; L45-I85 CarbonylContact O-C 3.52Å; L45-I85 VanDerWaalsContact O-CA 3.24Å; L45-I85 WeakPolarHBondContact O-CA 3.36Å; L45-V86 HydrophobicContact CB-CB 4.31Å; L45-V86 PolarHBondContact N-O 3.06Å; L45-V86 PolarHBondContact O-N 3.18Å; L45-I88 HydrophobicContact CD1-CD1 4.07Å; L45-F99 HydrophobicContact CD1-CE1 3.48Å; L45-F99 VanDerWaalsContact CD1-CE1 3.48Å; L45-F99 HydrophobicContact CD1-CZ 3.61Å; L45-F99 HydrophobicContact CD2-CE1 4.01Å; L45-F99 HydrophobicContact CD2-CZ 3.86Å; L45-F99 HydrophobicContact CG-CE1 4.28Å; L45-F99 HydrophobicContact CG-CZ 4.08Å; L45-F124 HydrophobicContact CD1-CD1 4.49Å; L45-R125 CarbonylContact C-O 3.59Å; L45-R125 WeakPolarHBondContact CA-O 3.42Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 3.98Å; L45-M183 HydrophobicContact CD2-CE 4.35Å
46L92.7Very high86.2Confident2 Ų251.7 Ų51.71%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-95.7122.9169-170.763.6000108.4E83 I85 R125 I127 Y202L46-E83 HydrophobicContact CD1-CB 3.96Å; L46-I85 HydrophobicContact CD1-CG1 4.02Å; L46-R125 HydrophobicContact CB-CB 4.14Å; L46-R125 PolarHBondContact N-O 2.68Å; L46-R125 WeakPolarHBondContact O-CB 3.31Å; L46-I127 HydrophobicContact CB-CD1 4Å; L46-I127 HydrophobicContact CB-CG1 3.96Å; L46-I127 HydrophobicContact CD1-CD1 4.45Å; L46-Y202 HydrophobicContact CD1-CE1 4.05Å; L46-Y202 HydrophobicContact CD2-CE1 4.45Å
47M92.2Very high88.3Confident5 Ų548.2 Ų48.23%0.02528%0.28CS..EExtended strand (participates in β ladder)trans-137.2156.5-176.3-71.1176.2164.700110.9L45 V52 I55 E83 R84 V86 F106 F124L45-M47 HydrophobicContact CB-CE 4.26Å; L45-M47 HydrophobicContact CB-CG 4.46Å; L45-M47 HydrophobicContact CD1-CE 3.76Å; M47-V52 HydrophobicContact CB-CG2 3.43Å; M47-V52 VanDerWaalsContact CB-CG2 3.43Å; M47-V52 HydrophobicContact CG-CG2 4.39Å; M47-V52 HydrophobicContact SD-CG2 4.11Å; M47-I55 HydrophobicContact CE-CD1 3.73Å; M47-I55 HydrophobicContact SD-CD1 3.37Å; M47-I55 WeakPolarHBondContact SD-CD1 3.35Å; M47-E83 CarbonylContact O-C 3.51Å; M47-E83 WeakPolarHBondContact O-CA 3.5Å; M47-R84 PolarHBondContact N-O 3.12Å; M47-R84 PolarHBondContact O-N 3.17Å; M47-V86 HydrophobicContact SD-CB 4.42Å; M47-V86 HydrophobicContact SD-CG2 3.79Å; M47-F106 HydrophobicContact CE-CE2 4.3Å; M47-F106 HydrophobicContact CE-CZ 4.31Å; M47-F124 HydrophobicContact CE-CD1 3.39Å; M47-F124 HydrophobicContact CE-CE1 3.35Å
48Q90.9Very high90.1Very high83 Ų8350 Ų5039%0.38828%0.281SS..EExtended strand (participates in β ladder)trans-80.1153.8173.8-60.9-173.7-2.500111K50 E51 V52Q48-K50 HydrophobicContact CB-CG 4.29Å; Q48-K50 PolarHBondContact O-N 3.11Å; Q48-K50 VanDerWaalsContact O-N 3.15Å; Q48-E51 HydrophobicContact CB-CG 4.3Å; Q48-E51 PolarHBondContact N-OE2 3.27Å; Q48-E51 WeakPolarHBondContact O-CB 3.49Å; Q48-E51 PolarHBondContact O-N 3.43Å; Q48-V52 WeakPolarHBondContact O-CG2 3.23Å; Q48-V52 PolarHBondContact O-N 3.47Å
49G88.7Confident91.4Very high31 Ų3155.7 Ų55.732%0.3230%0.295SS..Hα-helixtrans-55-34.8-18000000114.5G53 P82G49-G53 PolarHBondContact O-N 3.05Å; G49-P82 PolarHBondContact N-O 3.27Å
50K88.5Confident91.9Very high156 Ų15653 Ų5368%0.67828%0.283SS*.Hα-helixtrans-65-40.8177.172-166.8-171.4-156.70112.7Q48 S54Q48-K50 HydrophobicContact CB-CG 4.29Å; Q48-K50 PolarHBondContact O-N 3.11Å; Q48-K50 VanDerWaalsContact O-N 3.15Å; K50-S54 PolarHBondContact O-N 3.01Å
51E90.6Very high92.2Very high38 Ų3854.7 Ų54.718%0.17829%0.285CS..Hα-helixtrans-72.2-45.7-178.9-61.2171.1152.400110Q48 G53 S54 I55 F106Q48-E51 HydrophobicContact CB-CG 4.3Å; Q48-E51 PolarHBondContact N-OE2 3.27Å; Q48-E51 WeakPolarHBondContact O-CB 3.49Å; Q48-E51 PolarHBondContact O-N 3.43Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 3.03Å; E51-S54 PolarHBondContact O-N 3.22Å; E51-I55 WeakPolarHBondContact O-CG1 3.18Å; E51-I55 PolarHBondContact O-N 3.07Å; E51-F106 HydrophobicContact CB-CE1 3.76Å; E51-F106 HydrophobicContact CB-CZ 3.8Å; E51-F106 HydrophobicContact CG-CE1 3.92Å; E51-F106 HydrophobicContact CG-CZ 4.41Å
52V92.8Very high92.3Very high1 Ų154.5 Ų54.51%0.00628%0.284CS..Hα-helixtrans-62.8-36.2176.2178.80000111.5M47 Q48 S54 I55 I56 I76 R84 V86M47-V52 HydrophobicContact CB-CG2 3.43Å; M47-V52 VanDerWaalsContact CB-CG2 3.43Å; M47-V52 HydrophobicContact CG-CG2 4.39Å; M47-V52 HydrophobicContact SD-CG2 4.11Å; Q48-V52 WeakPolarHBondContact O-CG2 3.23Å; Q48-V52 PolarHBondContact O-N 3.47Å; V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.37Å; V52-I55 PolarHBondContact O-N 2.96Å; V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 HydrophobicContact CG1-CG1 4.18Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.4Å; V52-I56 PolarHBondContact O-N 3.17Å; V52-I76 HydrophobicContact CG1-CD1 4.33Å; V52-I76 HydrophobicContact CG1-CG2 3.77Å; V52-R84 HydrophobicContact CG2-CB 4.18Å; V52-V86 HydrophobicContact CG2-CG2 4.04Å
53G91.4Very high92.5Very high40 Ų4051.7 Ų51.741%0.41227%0.266SS..Hα-helixtrans-57.5-41.317600000113.1G49 E51 G57G49-G53 PolarHBondContact O-N 3.05Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 3.03Å; G53-G57 PolarHBondContact O-N 3.48Å
54S91.3Very high92.6Very high24 Ų2457.7 Ų57.717%0.16829%0.292CS..Hα-helixtrans-68.1-44.1175.2175.90000112.9K50 E51 V52 I56 G57 D109K50-S54 PolarHBondContact O-N 3.01Å; E51-S54 PolarHBondContact O-N 3.22Å; V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.37Å; S54-I56 VanDerWaalsContact C-N 3.28Å; S54-I56 PolarHBondContact O-N 3.17Å; S54-G57 WeakPolarHBondContact O-CA 3.08Å; S54-G57 PolarHBondContact O-N 3.08Å; S54-D109 WeakPolarHBondContact CB-OD2 3.32Å; S54-D109 VanDerWaalsContact OG-CG 3.23Å; S54-D109 PolarHBondContact OG-OD1 3.22Å; S54-D109 PolarHBondContact OG-OD2 3.28Å
55I93.3Very high92.6Very high2 Ų258.8 Ų58.81%0.0130%0.301CS..Hα-helixtrans-59.9-41.5177.9-60.1168.3000110.7M47 E51 V52 G57 H62 I63 I66 I102 F106M47-I55 HydrophobicContact CE-CD1 3.73Å; M47-I55 HydrophobicContact SD-CD1 3.37Å; M47-I55 WeakPolarHBondContact SD-CD1 3.35Å; E51-I55 WeakPolarHBondContact O-CG1 3.18Å; E51-I55 PolarHBondContact O-N 3.07Å; V52-I55 PolarHBondContact O-N 2.96Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-H62 PolarHBondContact O-ND1 2.74Å; I55-H62 VanDerWaalsContact O-ND1 3.08Å; I55-I63 HydrophobicContact CG2-CD1 4.25Å; I55-I66 HydrophobicContact CG2-CD1 4.28Å; I55-I102 HydrophobicContact CD1-CG2 3.98Å; I55-I102 HydrophobicContact CG1-CG2 4.17Å; I55-I102 HydrophobicContact CG2-CG1 4.22Å; I55-F106 HydrophobicContact CD1-CE2 3.56Å; I55-F106 HydrophobicContact CD1-CZ 3.84Å; I55-F106 HydrophobicContact CG1-CE2 3.72Å; I55-F106 HydrophobicContact CG1-CZ 4.18Å
56I93.5Very high92.7Very high48 Ų4858.8 Ų58.825%0.24630%0.301CS..Hα-helixtrans-62-44.2174.6-67.2169.9000110.5V52 S54 G60 H62 I63 I76V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 HydrophobicContact CG1-CG1 4.18Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.4Å; V52-I56 PolarHBondContact O-N 3.17Å; S54-I56 VanDerWaalsContact C-N 3.28Å; S54-I56 PolarHBondContact O-N 3.17Å; I56-G60 CarbonylContact O-C 3.56Å; I56-G60 VanDerWaalsContact O-CA 3.31Å; I56-G60 WeakPolarHBondContact O-CA 3.39Å; I56-H62 PolarHBondContact O-N 3.1Å; I56-I63 HydrophobicContact CB-CG2 4.44Å; I56-I63 HydrophobicContact CG2-CG2 4.14Å; I56-I63 PolarHBondContact O-N 3.4Å; I56-I76 HydrophobicContact CD1-CD1 3.86Å; I56-I76 HydrophobicContact CG1-CD1 3.53Å
57G91.5Very high92.9Very high23 Ų2363 Ų6324%0.23732%0.317CS..  trans74.8171.1-176.200000113G53 S54 I55 K59 G60G53-G57 PolarHBondContact O-N 3.48Å; S54-G57 WeakPolarHBondContact O-CA 3.08Å; S54-G57 PolarHBondContact O-N 3.08Å; I55-G57 VanDerWaalsContact C-N 3.33Å; G57-K59 PolarHBondContact O-N 2.58Å; G57-G60 PolarHBondContact O-N 2.95Å
58K92.1Very high93.1Very high192 Ų19267.2 Ų67.284%0.83534%0.339SS*.G310 helixtrans-60.4130.3176.6-62.3176.6-176.6175.30108.7G60 E61K58-G60 PolarHBondContact O-N 3.28Å; K58-G60 VanDerWaalsContact O-N 3.12Å; K58-E61 PolarHBondContact O-N 2.98Å
59K92.7Very high93.3Very high212 Ų21268 Ų6892%0.92234%0.342SS*.G310 helixtrans61.111.4-177.4-54.5178.1178176.90116.1G57 E61G57-K59 PolarHBondContact O-N 2.58Å; K59-E61 PolarHBondContact O-N 2.68Å
60G92.7Very high93.6Very high22 Ų2266.7 Ų66.723%0.22733%0.328CS..G310 helixtrans69.312.8-176.200000114.2I56 G57 K58 H62 I63 K64I56-G60 CarbonylContact O-C 3.56Å; I56-G60 VanDerWaalsContact O-CA 3.31Å; I56-G60 WeakPolarHBondContact O-CA 3.39Å; G57-G60 PolarHBondContact O-N 2.95Å; K58-G60 PolarHBondContact O-N 3.28Å; K58-G60 VanDerWaalsContact O-N 3.12Å; G60-H62 VanDerWaalsContact C-N 3.33Å; G60-I63 VanDerWaalsContact O-CG2 3.23Å; G60-I63 WeakPolarHBondContact O-CG2 3.45Å; G60-K64 PolarHBondContact O-N 3.36Å
61E94.7Very high93.9Very high127 Ų12767 Ų6759%0.59333%0.334SS*.Hα-helixtrans-64.4-41.5-179.1-179.6173.2-170.800111.1K58 K59 K64 I65K58-E61 PolarHBondContact O-N 2.98Å; K59-E61 PolarHBondContact O-N 2.68Å; E61-K64 VanDerWaalsContact O-CB 3.31Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 3.14Å; E61-I65 HydrophobicContact CG-CD1 4.25Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 3.2Å
62H94.8Very high94Very high26 Ų2665.4 Ų65.412%0.1233%0.328CS..Hα-helixtrans-70.1-44.8-174.9-178-129.9000112.4I55 I56 G60 K64 I65 I66 K105I55-H62 PolarHBondContact O-ND1 2.74Å; I55-H62 VanDerWaalsContact O-ND1 3.08Å; I56-H62 PolarHBondContact O-N 3.1Å; G60-H62 VanDerWaalsContact C-N 3.33Å; H62-K64 PolarHBondContact O-N 3Å; H62-I65 WeakPolarHBondContact O-CB 3.4Å; H62-I65 PolarHBondContact O-N 2.96Å; H62-I66 VanDerWaalsContact CE1-CD1 3.45Å; H62-I66 WeakPolarHBondContact CE1-CD1 3.42Å; H62-I66 WeakPolarHBondContact O-CG1 3.2Å; H62-I66 PolarHBondContact O-N 3.37Å; H62-K105 WeakPolarHBondContact CD2-CE 3.38Å; H62-K105 WeakPolarHBondContact CE1-CD 3.32Å; H62-K105 VanDerWaalsContact CE1-CE 3.42Å; H62-K105 WeakPolarHBondContact CE1-CE 3.33Å; H62-K105 WeakPolarHBondContact CE1-CG 3.27Å; H62-K105 WeakPolarHBondContact NE2-CD 3.13Å; H62-K105 WeakPolarHBondContact NE2-CE 3.4Å; H62-K105 VanDerWaalsContact NE2-CG 3.34Å; H62-K105 WeakPolarHBondContact NE2-CG 3.45Å
63I95.2Very high94.1Very high6 Ų672.9 Ų72.93%0.03136%0.36CS..Hα-helixtrans-64.2-27.7173.4-172.362.2000112.5I55 I56 G60 I66 R67 I74 I76I55-I63 HydrophobicContact CG2-CD1 4.25Å; I56-I63 HydrophobicContact CB-CG2 4.44Å; I56-I63 HydrophobicContact CG2-CG2 4.14Å; I56-I63 PolarHBondContact O-N 3.4Å; G60-I63 VanDerWaalsContact O-CG2 3.23Å; G60-I63 WeakPolarHBondContact O-CG2 3.45Å; I63-I66 HydrophobicContact CD1-CB 4.45Å; I63-I66 HydrophobicContact CD1-CD1 4.5Å; I63-R67 VanDerWaalsContact CG1-CZ 3.42Å; I63-R67 VanDerWaalsContact O-CG 3.32Å; I63-R67 WeakPolarHBondContact O-CG 3.05Å; I63-R67 PolarHBondContact O-N 2.85Å; I63-R67 VanDerWaalsContact O-N 3.07Å; I63-I74 HydrophobicContact CD1-CB 4.38Å; I63-I74 HydrophobicContact CD1-CD1 4.18Å; I63-I74 HydrophobicContact CD1-CG2 3.92Å; I63-I76 HydrophobicContact CG1-CD1 4.34Å
64K95.6Very high94.3Very high130 Ų13071.3 Ų71.357%0.56534%0.343SS*.Hα-helixtrans-64.7-49.4172.5-173.2-174.7174.5-170.40110.5G60 E61 H62 I66 R67 D68G60-K64 PolarHBondContact O-N 3.36Å; E61-K64 VanDerWaalsContact O-CB 3.31Å; E61-K64 WeakPolarHBondContact O-CB 3.5Å; E61-K64 PolarHBondContact O-N 3.14Å; H62-K64 PolarHBondContact O-N 3Å; K64-I66 VanDerWaalsContact C-N 3.31Å; K64-I66 PolarHBondContact O-N 3.34Å; K64-R67 PolarHBondContact O-N 3.45Å; K64-R67 VanDerWaalsContact O-N 3.11Å; K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 3.23Å
65I96.1Very high94.5Very high67 Ų6775 Ų7534%0.34436%0.36SS..Hα-helixtrans-56-45.7175-64.5164.3000110.9E61 H62 R67 D68 E69E61-I65 HydrophobicContact CG-CD1 4.25Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 3.2Å; H62-I65 WeakPolarHBondContact O-CB 3.4Å; H62-I65 PolarHBondContact O-N 2.96Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 3.48Å; I65-D68 PolarHBondContact O-N 2.83Å; I65-E69 HydrophobicContact CG2-CG 4.13Å; I65-E69 WeakPolarHBondContact CG2-OE1 3.21Å; I65-E69 WeakPolarHBondContact O-CB 3.46Å; I65-E69 PolarHBondContact O-N 2.96Å
66I96.1Very high94.5Very high0 Ų076.3 Ų76.30%037%0.367CS..Hα-helixtrans-59.3-44.1178.5-64.8174.1000110.9I55 H62 I63 K64 S70 I74 A98 M101 I102I55-I66 HydrophobicContact CG2-CD1 4.28Å; H62-I66 VanDerWaalsContact CE1-CD1 3.45Å; H62-I66 WeakPolarHBondContact CE1-CD1 3.42Å; H62-I66 WeakPolarHBondContact O-CG1 3.2Å; H62-I66 PolarHBondContact O-N 3.37Å; I63-I66 HydrophobicContact CD1-CB 4.45Å; I63-I66 HydrophobicContact CD1-CD1 4.5Å; K64-I66 VanDerWaalsContact C-N 3.31Å; K64-I66 PolarHBondContact O-N 3.34Å; I66-S70 WeakPolarHBondContact O-CB 3.37Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 3.26Å; I66-I74 HydrophobicContact CB-CD1 4.35Å; I66-I74 HydrophobicContact CG2-CD1 3.35Å; I66-A98 HydrophobicContact CG2-CB 4.29Å; I66-M101 HydrophobicContact CB-CE 4.12Å; I66-M101 HydrophobicContact CB-SD 4.45Å; I66-M101 HydrophobicContact CD1-CB 4.4Å; I66-M101 HydrophobicContact CG1-CB 3.96Å; I66-M101 HydrophobicContact CG1-CE 4.4Å; I66-M101 HydrophobicContact CG1-SD 4.19Å; I66-M101 HydrophobicContact CG2-CE 3.8Å; I66-M101 WeakPolarHBondContact O-CE 3.41Å; I66-I102 HydrophobicContact CD1-CG1 4.06Å
67R95.5Very high94.3Very high91 Ų9175.7 Ų75.734%0.34337%0.367SS..Hα-helixtrans-64.4-43.7178.3-71.8178.2-169.9117.5-2.6111.7I63 K64 I65 M71 I74I63-R67 VanDerWaalsContact CG1-CZ 3.42Å; I63-R67 VanDerWaalsContact O-CG 3.32Å; I63-R67 WeakPolarHBondContact O-CG 3.05Å; I63-R67 PolarHBondContact O-N 2.85Å; I63-R67 VanDerWaalsContact O-N 3.07Å; K64-R67 PolarHBondContact O-N 3.45Å; K64-R67 VanDerWaalsContact O-N 3.11Å; I65-R67 VanDerWaalsContact C-N 3.32Å; I65-R67 PolarHBondContact O-N 3.48Å; R67-M71 WeakPolarHBondContact O-CA 3.41Å; R67-M71 PolarHBondContact O-N 3.22Å; R67-M71 VanDerWaalsContact O-N 3.1Å; R67-I74 HydrophobicContact CG-CB 4.06Å; R67-I74 HydrophobicContact CG-CD1 4.11Å; R67-I74 HydrophobicContact CG-CG1 4.25Å; R67-I74 PolarHBondContact NE-O 3.39Å; R67-I74 PolarHBondContact NH2-O 3.46Å
68D96.1Very high93.9Very high92 Ų9281.3 Ų81.349%0.49239%0.392SS..Hα-helixtrans-68.5-43.7-177.9-65.2-14.9000111.2K64 I65 M71K64-D68 VanDerWaalsContact O-CG 3.28Å; K64-D68 PolarHBondContact O-N 3.23Å; I65-D68 PolarHBondContact O-N 2.83Å; D68-M71 VanDerWaalsContact O-CE 3.28Å; D68-M71 WeakPolarHBondContact O-CE 2.93Å
69E96.2Very high93.1Very high99 Ų9974 Ų7446%0.46337%0.37SS..Hα-helixtrans-77.4-40.3-178.9-74.8-168.5-162.700113.6I65 M71 K97 M101I65-E69 HydrophobicContact CG2-CG 4.13Å; I65-E69 WeakPolarHBondContact CG2-OE1 3.21Å; I65-E69 WeakPolarHBondContact O-CB 3.46Å; I65-E69 PolarHBondContact O-N 2.96Å; E69-M71 VanDerWaalsContact C-N 3.31Å; E69-K97 WeakPolarHBondContact O-CD 3.43Å; E69-K97 WeakPolarHBondContact O-CE 3.48Å; E69-K97 PolarHBondContact O-NZ 3.33Å; E69-M101 HydrophobicContact CB-CE 3.87Å; E69-M101 HydrophobicContact CB-SD 3.78Å; E69-M101 HydrophobicContact CG-SD 4.44Å; E69-M101 VanDerWaalsContact OE2-SD 3.33Å
70S95Very high92.3Very high4 Ų468.2 Ų68.23%0.02836%0.357CS..Hα-helixtrans-77.2-20.9-179.165.60000112.8I66 A72 A94I66-S70 WeakPolarHBondContact O-CB 3.37Å; I66-S70 PolarHBondContact O-N 2.92Å; I66-S70 PolarHBondContact O-OG 3.26Å; S70-A72 PolarHBondContact O-N 2.48Å; S70-A72 VanDerWaalsContact O-N 3.14Å; S70-A72 WeakPolarHBondContact OG-CB 3.27Å; S70-A72 PolarHBondContact OG-N 3.3Å; S70-A94 WeakPolarHBondContact O-CA 3.47Å; S70-A94 WeakPolarHBondContact O-CB 3.33Å
71M93.8Very high91.4Very high162 Ų16267.8 Ų67.880%0.79835%0.35SS*.  trans55.121.8-168.7-57.4-70.4178.200112.6R67 D68 E69R67-M71 WeakPolarHBondContact O-CA 3.41Å; R67-M71 PolarHBondContact O-N 3.22Å; R67-M71 VanDerWaalsContact O-N 3.1Å; D68-M71 VanDerWaalsContact O-CE 3.28Å; D68-M71 WeakPolarHBondContact O-CE 2.93Å; E69-M71 VanDerWaalsContact C-N 3.31Å
72A94Very high91Very high6 Ų666.4 Ų66.45%0.0535%0.352CS..  trans-96.5142.9177.200000110.8S70 I74 I88 A94 A98S70-A72 PolarHBondContact O-N 2.48Å; S70-A72 VanDerWaalsContact O-N 3.14Å; S70-A72 WeakPolarHBondContact OG-CB 3.27Å; S70-A72 PolarHBondContact OG-N 3.3Å; A72-I74 HydrophobicContact CB-CG1 4.44Å; A72-I74 PolarHBondContact O-N 3.36Å; A72-I88 HydrophobicContact CB-CG2 4.04Å; A72-A94 HydrophobicContact CB-CB 4.11Å; A72-A98 HydrophobicContact CB-CB 4.47Å
73K95.2Very high90.6Very high157 Ų15767.5 Ų67.568%0.68336%0.357SS*.EExtended strand (participates in β ladder)trans-79.1108.1173.1-176.8175.6-176.4175.50109.1T89K73-T89 PolarHBondContact N-O 3.06Å; K73-T89 PolarHBondContact O-N 3.45Å
74I95.6Very high90.5Very high8 Ų870.7 Ų70.74%0.04137%0.369CS..EExtended strand (participates in β ladder)trans-110.4114.2-179.4-52.4170.3000110.5I63 I66 R67 A72 V86 T87 I88 A98I63-I74 HydrophobicContact CD1-CB 4.38Å; I63-I74 HydrophobicContact CD1-CD1 4.18Å; I63-I74 HydrophobicContact CD1-CG2 3.92Å; I66-I74 HydrophobicContact CB-CD1 4.35Å; I66-I74 HydrophobicContact CG2-CD1 3.35Å; R67-I74 HydrophobicContact CG-CB 4.06Å; R67-I74 HydrophobicContact CG-CD1 4.11Å; R67-I74 HydrophobicContact CG-CG1 4.25Å; R67-I74 PolarHBondContact NE-O 3.39Å; R67-I74 PolarHBondContact NH2-O 3.46Å; A72-I74 HydrophobicContact CB-CG1 4.44Å; A72-I74 PolarHBondContact O-N 3.36Å; I74-V86 HydrophobicContact CG2-CG1 3.89Å; I74-T87 CarbonylContact C-O 3.56Å; I74-T87 WeakPolarHBondContact CA-O 3.38Å; I74-I88 HydrophobicContact CG1-CG1 4.32Å; I74-I88 HydrophobicContact CG1-CG2 4.21Å; I74-I88 HydrophobicContact CG2-CG1 4.29Å; I74-A98 HydrophobicContact CD1-CB 4.31Å
75N94.8Very high90.3Very high101 Ų10164.9 Ų64.954%0.5434%0.344SS..EExtended strand (participates in β ladder)trans-110.8140.2176.2-167-5.7000110.3V86 T87N75-V86 CarbonylContact O-C 3.49Å; N75-V86 WeakPolarHBondContact O-CA 3.27Å; N75-T87 PolarHBondContact N-O 3.47Å; N75-T87 PolarHBondContact O-N 3.35Å
76I93.3Very high90.2Very high29 Ų2961.8 Ų61.815%0.14933%0.328CS..EExtended strand (participates in β ladder)trans-120.5125.3179.8-57.3175.7000106.9V52 I56 I63 V86V52-I76 HydrophobicContact CG1-CD1 4.33Å; V52-I76 HydrophobicContact CG1-CG2 3.77Å; I56-I76 HydrophobicContact CD1-CD1 3.86Å; I56-I76 HydrophobicContact CG1-CD1 3.53Å; I63-I76 HydrophobicContact CG1-CD1 4.34Å; I76-V86 HydrophobicContact CG1-CG1 4.45Å; I76-V86 HydrophobicContact CG1-CG2 4.39Å
77S89.2Confident90.2Very high36 Ų3663.3 Ų63.325%0.25234%0.338SS..  trans-63.8158.7178.574.40000112.2I85S77-I85 PolarHBondContact N-O 3.38Å; S77-I85 PolarHBondContact OG-N 3.24Å
78D83.2Confident90.2Very high141 Ų14159 Ų5975%0.75432%0.321SS*.  trans-56.4150.6179.8-60.9-47.6000113.1S80D78-S80 VanDerWaalsContact C-N 3.3Å; D78-S80 PolarHBondContact O-N 3.34Å
79G74.8Confident90.1Very high37 Ų3756.1 Ų56.138%0.38131%0.307SS..THydrogen-bonded Turntrans-85.112-17000000117.4C81G79-C81 PolarHBondContact O-N 3.38Å
80S76.4Confident90Very high91 Ų9151.9 Ų51.964%0.63629%0.29SS*.THydrogen-bonded Turntrans-68.7-19.6-176.9-168.90000113D78D78-S80 VanDerWaalsContact C-N 3.3Å; D78-S80 PolarHBondContact O-N 3.34Å
81C74.7Confident89.9Confident13 Ų1354 Ų549%0.08831%0.305CS..SBendtrans-109.7145.5-178.3-57.30000109.8G79 E83 P204 P206G79-C81 PolarHBondContact O-N 3.38Å; C81-E83 VanDerWaalsContact CB-O 3.28Å; C81-E83 WeakPolarHBondContact CB-O 3.32Å; C81-E83 PolarHBondContact O-N 2.85Å; C81-P204 HydrophobicContact CB-CB 3.96Å; C81-P204 HydrophobicContact CB-CG 4.18Å; C81-P204 PolarHBondContact SG-O 2.82Å; C81-P204 VanDerWaalsContact SG-O 3.38Å; C81-P206 VanDerWaalsContact SG-CA 3.5Å
82P84.8Confident89.8Confident98 Ų9848.8 Ų48.864%0.63628%0.28SS*.SBendtrans-62.5-26.9175.226.3-34.3000111.9G49G49-P82 PolarHBondContact N-O 3.27Å
83E88.1Confident89.8Confident50 Ų5054 Ų5423%0.23430%0.303CS..EExtended strand (participates in β ladder)trans-97.2133.1169.3-60.4-171.1143.800110.3L46 M47 C81 R125L46-E83 HydrophobicContact CD1-CB 3.96Å; M47-E83 CarbonylContact O-C 3.51Å; M47-E83 WeakPolarHBondContact O-CA 3.5Å; C81-E83 VanDerWaalsContact CB-O 3.28Å; C81-E83 WeakPolarHBondContact CB-O 3.32Å; C81-E83 PolarHBondContact O-N 2.85Å; E83-R125 IonicContact OE1-CZ 2.69Å; E83-R125 IonicContact OE1-NH1 3.13Å; E83-R125 PolarHBondContact OE1-NH1 2.97Å
84R91.5Very high89.8Confident73 Ų7346.9 Ų46.928%0.27527%0.273SS..EExtended strand (participates in β ladder)trans-121.6149.4177.8-62.8178.5-173.4-132.17.6110M47 V52M47-R84 PolarHBondContact N-O 3.12Å; M47-R84 PolarHBondContact O-N 3.17Å; V52-R84 HydrophobicContact CG2-CB 4.18Å
85I92.5Very high89.7Confident7 Ų746.6 Ų46.64%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-101.4118.5178-57.1-179000108.9R44 L45 L46 S77 I127 Y202R44-I85 HydrophobicContact CB-CG2 4.26Å; L45-I85 CarbonylContact O-C 3.52Å; L45-I85 VanDerWaalsContact O-CA 3.24Å; L45-I85 WeakPolarHBondContact O-CA 3.36Å; L46-I85 HydrophobicContact CD1-CG1 4.02Å; S77-I85 PolarHBondContact N-O 3.38Å; S77-I85 PolarHBondContact OG-N 3.24Å; I85-I127 HydrophobicContact CD1-CD1 3.95Å; I85-I127 HydrophobicContact CG1-CD1 4.12Å; I85-I127 HydrophobicContact CG2-CD1 4.21Å; I85-Y202 HydrophobicContact CD1-CD1 3.94Å; I85-Y202 VanDerWaalsContact CD1-O 3.31Å; I85-Y202 WeakPolarHBondContact CD1-O 3.49Å
86V94.5Very high89.7Confident2 Ų242.9 Ų42.91%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-96.6115171.2-176.70000108.2L45 M47 V52 I74 N75 I76 I88L45-V86 HydrophobicContact CB-CB 4.31Å; L45-V86 PolarHBondContact N-O 3.06Å; L45-V86 PolarHBondContact O-N 3.18Å; M47-V86 HydrophobicContact SD-CB 4.42Å; M47-V86 HydrophobicContact SD-CG2 3.79Å; V52-V86 HydrophobicContact CG2-CG2 4.04Å; I74-V86 HydrophobicContact CG2-CG1 3.89Å; N75-V86 CarbonylContact O-C 3.49Å; N75-V86 WeakPolarHBondContact O-CA 3.27Å; I76-V86 HydrophobicContact CG1-CG1 4.45Å; I76-V86 HydrophobicContact CG1-CG2 4.39Å; V86-I88 HydrophobicContact CG1-CG1 4.22Å
87T94.8Very high89.8Confident33 Ų3345.5 Ų45.520%0.20226%0.262CS..EExtended strand (participates in β ladder)trans-103.7119179.3-55.10000109.3T42 I43 R44 I74 N75T42-T87 HydrophobicContact CG2-CG2 3.51Å; I43-T87 CarbonylContact O-C 3.53Å; I43-T87 WeakPolarHBondContact O-CA 3.46Å; R44-T87 HydrophobicContact CG-CG2 4.08Å; I74-T87 CarbonylContact C-O 3.56Å; I74-T87 WeakPolarHBondContact CA-O 3.38Å; N75-T87 PolarHBondContact N-O 3.47Å; N75-T87 PolarHBondContact O-N 3.35Å
88I95.6Very high90.1Very high0 Ų043.8 Ų43.80%025%0.25CS..EExtended strand (participates in β ladder)trans-112.9120.1179.2-52.4176.7000107.8I43 L45 A72 I74 V86 I95 A98 F99 I102I43-I88 PolarHBondContact N-O 3.37Å; I43-I88 PolarHBondContact O-N 2.96Å; L45-I88 HydrophobicContact CD1-CD1 4.07Å; A72-I88 HydrophobicContact CB-CG2 4.04Å; I74-I88 HydrophobicContact CG1-CG1 4.32Å; I74-I88 HydrophobicContact CG1-CG2 4.21Å; I74-I88 HydrophobicContact CG2-CG1 4.29Å; V86-I88 HydrophobicContact CG1-CG1 4.22Å; I88-I95 HydrophobicContact CG2-CG1 4.05Å; I88-A98 HydrophobicContact CG2-CB 4.35Å; I88-F99 HydrophobicContact CD1-CE2 4.22Å; I88-F99 HydrophobicContact CD1-CZ 4.3Å; I88-I102 HydrophobicContact CD1-CD1 3.88Å
89T94.2Very high90.6Very high31 Ų3137.1 Ų37.119%0.1921%0.214CC..EExtended strand (participates in β ladder)trans-122.3128.5-179.6-58.90000110.1V40 Q41 T42 K73V40-T89 HydrophobicContact CG1-CG2 3.32Å; Q41-T89 VanDerWaalsContact O-CA 3.32Å; Q41-T89 WeakPolarHBondContact O-CA 3.45Å; T42-T89 WeakPolarHBondContact CG2-OG1 3.5Å; T42-T89 VanDerWaalsContact OG1-CG2 3.31Å; T42-T89 WeakPolarHBondContact OG1-CG2 3.49Å; T42-T89 PolarHBondContact OG1-OG1 3.39Å; K73-T89 PolarHBondContact N-O 3.06Å; K73-T89 PolarHBondContact O-N 3.45Å
90G93.9Very high91.6Very high10 Ų1040 Ų4010%0.10321%0.214CC..EExtended strand (participates in β ladder)trans172.2-169.7-179.500000113Q41 I95Q41-G90 PolarHBondContact N-O 3.34Å; Q41-G90 PolarHBondContact O-N 3.03Å; G90-I95 WeakPolarHBondContact O-CD1 3.47Å
91S93.5Very high92.4Very high48 Ų4836.9 Ų36.934%0.33619%0.19SC..  trans-70.7163.1169.368.60000110.8H93 A94 I95S91-H93 PolarHBondContact O-N 2.99Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-A94 VanDerWaalsContact O-N 3.14Å; S91-A94 WeakPolarHBondContact OG-CB 3.4Å; S91-A94 PolarHBondContact OG-N 3.36Å; S91-A94 VanDerWaalsContact OG-N 3.16Å; S91-I95 WeakPolarHBondContact O-CG1 3.41Å; S91-I95 PolarHBondContact O-N 3.13Å
92I91.6Very high93.3Very high53 Ų5336.3 Ų36.327%0.27219%0.186SC..Hα-helixtrans-53.8-41175.1-55.8170.1000110.8N96 L188 L191I92-N96 WeakPolarHBondContact O-CB 3.29Å; I92-N96 PolarHBondContact O-N 3.46Å; I92-L188 HydrophobicContact CD1-CD2 3.77Å; I92-L191 HydrophobicContact CD1-CD1 3.37Å; I92-L191 HydrophobicContact CG1-CD1 3.43Å; I92-L191 VanDerWaalsContact CG1-CD1 3.43Å
93H93.1Very high93.7Very high117 Ų11731.7 Ų31.754%0.54216%0.155SC..Hα-helixtrans-66.9-45.1179.4-171.576.8000111.9S91 N96 K97S91-H93 PolarHBondContact O-N 2.99Å; H93-N96 PolarHBondContact O-N 2.93Å; H93-K97 WeakPolarHBondContact O-CB 3.37Å; H93-K97 PolarHBondContact O-N 3.4Å
94A94.8Very high93.9Very high7 Ų735.3 Ų35.36%0.05817%0.17CC..Hα-helixtrans-61.6-46.2177.300000111.6S70 A72 S91 K97 A98S70-A94 WeakPolarHBondContact O-CA 3.47Å; S70-A94 WeakPolarHBondContact O-CB 3.33Å; A72-A94 HydrophobicContact CB-CB 4.11Å; S91-A94 PolarHBondContact O-N 3.19Å; S91-A94 VanDerWaalsContact O-N 3.14Å; S91-A94 WeakPolarHBondContact OG-CB 3.4Å; S91-A94 PolarHBondContact OG-N 3.36Å; S91-A94 VanDerWaalsContact OG-N 3.16Å; A94-K97 PolarHBondContact O-N 3.24Å; A94-A98 WeakPolarHBondContact O-CB 3.31Å; A94-A98 PolarHBondContact O-N 3.34Å
95I94.5Very high94Very high1 Ų134.5 Ų34.51%0.00517%0.169CC..Hα-helixtrans-61.8-47.7177.2-67.3168.3000110.5Q41 I43 I88 G90 S91 K97 A98 F99Q41-I95 HydrophobicContact CB-CD1 3.86Å; Q41-I95 HydrophobicContact CG-CD1 4.35Å; I43-I95 HydrophobicContact CG1-CD1 4.13Å; I43-I95 HydrophobicContact CG1-CG2 4.28Å; I88-I95 HydrophobicContact CG2-CG1 4.05Å; G90-I95 WeakPolarHBondContact O-CD1 3.47Å; S91-I95 WeakPolarHBondContact O-CG1 3.41Å; S91-I95 PolarHBondContact O-N 3.13Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.2Å; I95-A98 WeakPolarHBondContact O-CB 3.47Å; I95-A98 PolarHBondContact O-N 3.02Å; I95-F99 HydrophobicContact CG2-CD2 3.59Å; I95-F99 HydrophobicContact CG2-CE2 3.53Å; I95-F99 VanDerWaalsContact O-CD2 3.29Å; I95-F99 WeakPolarHBondContact O-CD2 3.5Å; I95-F99 PolarHBondContact O-N 3.44Å
96N94.1Very high93.9Very high24 Ų2434.9 Ų34.913%0.12817%0.17CC..Hα-helixtrans-62.3-39.4179.6-166.744.5000112.2I92 H93 F99 R100 I180I92-N96 WeakPolarHBondContact O-CB 3.29Å; I92-N96 PolarHBondContact O-N 3.46Å; H93-N96 PolarHBondContact O-N 2.93Å; N96-F99 PolarHBondContact O-N 2.9Å; N96-R100 PolarHBondContact O-N 3.46Å; N96-I180 WeakPolarHBondContact OD1-CG2 3.22Å
97K95.2Very high93.6Very high83 Ų8338.5 Ų38.536%0.36119%0.187SC..Hα-helixtrans-64.6-42.8174.2-170.1173.1177.9-169.40111.6E69 H93 A94 I95 R100 M101E69-K97 WeakPolarHBondContact O-CD 3.43Å; E69-K97 WeakPolarHBondContact O-CE 3.48Å; E69-K97 PolarHBondContact O-NZ 3.33Å; H93-K97 WeakPolarHBondContact O-CB 3.37Å; H93-K97 PolarHBondContact O-N 3.4Å; A94-K97 PolarHBondContact O-N 3.24Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.2Å; K97-R100 PolarHBondContact O-N 2.82Å; K97-M101 HydrophobicContact CG-CE 4.34Å; K97-M101 PolarHBondContact O-N 3.16Å
98A95.6Very high93.4Very high0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-60.1-47.5174.400000111.9I66 A72 I74 I88 A94 I95 R100 M101 I102I66-A98 HydrophobicContact CG2-CB 4.29Å; A72-A98 HydrophobicContact CB-CB 4.47Å; I74-A98 HydrophobicContact CD1-CB 4.31Å; I88-A98 HydrophobicContact CG2-CB 4.35Å; A94-A98 WeakPolarHBondContact O-CB 3.31Å; A94-A98 PolarHBondContact O-N 3.34Å; I95-A98 WeakPolarHBondContact O-CB 3.47Å; I95-A98 PolarHBondContact O-N 3.02Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.07Å; A98-M101 PolarHBondContact O-N 3.14Å; A98-I102 VanDerWaalsContact O-CG1 3.27Å; A98-I102 WeakPolarHBondContact O-CG1 3.4Å; A98-I102 PolarHBondContact O-N 2.89Å
99F94.3Very high92.9Very high1 Ų142.3 Ų42.30%0.00420%0.204CC..Hα-helixtrans-60-40.4177-89.3-74.8000112.7I43 L45 I88 I95 N96 M101 I102 C103 M183I43-F99 HydrophobicContact CG2-CE2 4.11Å; I43-F99 HydrophobicContact CG2-CZ 3.97Å; L45-F99 HydrophobicContact CD1-CE1 3.48Å; L45-F99 VanDerWaalsContact CD1-CE1 3.48Å; L45-F99 HydrophobicContact CD1-CZ 3.61Å; L45-F99 HydrophobicContact CD2-CE1 4.01Å; L45-F99 HydrophobicContact CD2-CZ 3.86Å; L45-F99 HydrophobicContact CG-CE1 4.28Å; L45-F99 HydrophobicContact CG-CZ 4.08Å; I88-F99 HydrophobicContact CD1-CE2 4.22Å; I88-F99 HydrophobicContact CD1-CZ 4.3Å; I95-F99 HydrophobicContact CG2-CD2 3.59Å; I95-F99 HydrophobicContact CG2-CE2 3.53Å; I95-F99 VanDerWaalsContact O-CD2 3.29Å; I95-F99 WeakPolarHBondContact O-CD2 3.5Å; I95-F99 PolarHBondContact O-N 3.44Å; N96-F99 PolarHBondContact O-N 2.9Å; F99-M101 PolarHBondContact O-N 3.22Å; F99-I102 PolarHBondContact O-N 2.93Å; F99-C103 WeakPolarHBondContact O-CB 3.48Å; F99-C103 PolarHBondContact O-N 2.95Å; F99-C103 PolarHBondContact O-SG 3.04Å; F99-M183 HydrophobicContact CD1-CG 4.12Å; F99-M183 HydrophobicContact CD2-CB 4.48Å; F99-M183 HydrophobicContact CD2-CG 4.5Å; F99-M183 HydrophobicContact CE1-CE 3.78Å; F99-M183 HydrophobicContact CE1-CG 4.07Å; F99-M183 HydrophobicContact CE1-SD 4.07Å; F99-M183 HydrophobicContact CE2-CG 4.47Å; F99-M183 HydrophobicContact CE2-SD 4.44Å; F99-M183 HydrophobicContact CG-CG 4.34Å; F99-M183 HydrophobicContact CZ-CE 4.11Å; F99-M183 HydrophobicContact CZ-CG 4.25Å; F99-M183 HydrophobicContact CZ-SD 3.92Å
100R94.8Very high92.4Very high99 Ų9943 Ų4337%0.37421%0.205SC..Hα-helixtrans-59.7-45.5176.4-178.9178.1-72.9174.7-10.9112.1N96 K97 A98 C103 K104 I180N96-R100 PolarHBondContact O-N 3.46Å; K97-R100 PolarHBondContact O-N 2.82Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.07Å; R100-C103 PolarHBondContact O-N 2.88Å; R100-K104 WeakPolarHBondContact O-CB 3.31Å; R100-K104 PolarHBondContact O-N 3.18Å; R100-I180 HydrophobicContact CB-CD1 4.04Å; R100-I180 HydrophobicContact CG-CD1 4.02Å
101M94.5Very high91.7Very high25 Ų2549.1 Ų49.112%0.12323%0.231CC..Hα-helixtrans-65-40.1176.8-69-174-78.400112.1I66 E69 K97 A98 F99 K105I66-M101 HydrophobicContact CB-CE 4.12Å; I66-M101 HydrophobicContact CB-SD 4.45Å; I66-M101 HydrophobicContact CD1-CB 4.4Å; I66-M101 HydrophobicContact CG1-CB 3.96Å; I66-M101 HydrophobicContact CG1-CE 4.4Å; I66-M101 HydrophobicContact CG1-SD 4.19Å; I66-M101 HydrophobicContact CG2-CE 3.8Å; I66-M101 WeakPolarHBondContact O-CE 3.41Å; E69-M101 HydrophobicContact CB-CE 3.87Å; E69-M101 HydrophobicContact CB-SD 3.78Å; E69-M101 HydrophobicContact CG-SD 4.44Å; E69-M101 VanDerWaalsContact OE2-SD 3.33Å; K97-M101 HydrophobicContact CG-CE 4.34Å; K97-M101 PolarHBondContact O-N 3.16Å; A98-M101 PolarHBondContact O-N 3.14Å; F99-M101 PolarHBondContact O-N 3.22Å; M101-K105 PolarHBondContact O-N 3.39Å
102I94.4Very high91Very high1 Ų154.4 Ų54.41%0.00525%0.25CS..Hα-helixtrans-61.5-51.9175.6-67.7166.7000110.1I55 I66 I88 A98 F99 K104 K105 F106 F124I55-I102 HydrophobicContact CD1-CG2 3.98Å; I55-I102 HydrophobicContact CG1-CG2 4.17Å; I55-I102 HydrophobicContact CG2-CG1 4.22Å; I66-I102 HydrophobicContact CD1-CG1 4.06Å; I88-I102 HydrophobicContact CD1-CD1 3.88Å; A98-I102 VanDerWaalsContact O-CG1 3.27Å; A98-I102 WeakPolarHBondContact O-CG1 3.4Å; A98-I102 PolarHBondContact O-N 2.89Å; F99-I102 PolarHBondContact O-N 2.93Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 3.38Å; I102-K105 PolarHBondContact O-N 3.42Å; I102-F106 HydrophobicContact CG2-CD2 3.79Å; I102-F106 HydrophobicContact CG2-CE2 3.56Å; I102-F106 WeakPolarHBondContact O-CD2 3.37Å; I102-F106 PolarHBondContact O-N 3.12Å; I102-F106 VanDerWaalsContact O-N 3.12Å; I102-F124 HydrophobicContact CG2-CE1 3.84Å; I102-F124 HydrophobicContact CG2-CZ 3.98Å
103C93.2Very high90.2Very high0 Ų054.4 Ų54.40%025%0.253CS..Hα-helixtrans-57.6-43.6179.7-70.80000112.4F99 R100 K105 F106 E107 A176 I180F99-C103 WeakPolarHBondContact O-CB 3.48Å; F99-C103 PolarHBondContact O-N 2.95Å; F99-C103 PolarHBondContact O-SG 3.04Å; R100-C103 PolarHBondContact O-N 2.88Å; C103-K105 PolarHBondContact O-N 3.16Å; C103-F106 PolarHBondContact O-N 2.71Å; C103-E107 PolarHBondContact O-N 2.58Å; C103-A176 HydrophobicContact CB-CB 3.86Å; C103-I180 HydrophobicContact CB-CD1 4.4Å
104K92.4Very high89.4Confident126 Ų12653.1 Ų53.155%0.54826%0.255SS..Hα-helixtrans-54.4-37.5176.7-176.5179.1176.6-178.30111.9R100 I102 E107 E108R100-K104 WeakPolarHBondContact O-CB 3.31Å; R100-K104 PolarHBondContact O-N 3.18Å; I102-K104 VanDerWaalsContact C-N 3.33Å; I102-K104 PolarHBondContact O-N 3.38Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 3.45Å; K104-E108 WeakPolarHBondContact CE-OE1 3.08Å; K104-E108 WeakPolarHBondContact O-CG 3.45Å; K104-E108 PolarHBondContact O-N 3.32Å
105K91.7Very high88.4Confident57 Ų5761 Ų6125%0.24829%0.291CS..Hα-helixtrans-79.1-33.4-178-73.7-100.3-179-137.40113.6H62 M101 I102 C103 E107 E108 D109H62-K105 WeakPolarHBondContact CD2-CE 3.38Å; H62-K105 WeakPolarHBondContact CE1-CD 3.32Å; H62-K105 VanDerWaalsContact CE1-CE 3.42Å; H62-K105 WeakPolarHBondContact CE1-CE 3.33Å; H62-K105 WeakPolarHBondContact CE1-CG 3.27Å; H62-K105 WeakPolarHBondContact NE2-CD 3.13Å; H62-K105 WeakPolarHBondContact NE2-CE 3.4Å; H62-K105 VanDerWaalsContact NE2-CG 3.34Å; H62-K105 WeakPolarHBondContact NE2-CG 3.45Å; M101-K105 PolarHBondContact O-N 3.39Å; I102-K105 PolarHBondContact O-N 3.42Å; C103-K105 PolarHBondContact O-N 3.16Å; K105-E107 VanDerWaalsContact C-N 3.3Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 WeakPolarHBondContact CE-OE2 3.29Å; K105-E108 IonicContact NZ-OE1 3.73Å; K105-E108 IonicContact NZ-OE2 2.68Å; K105-E108 PolarHBondContact NZ-OE2 3.25Å; K105-E108 PolarHBondContact O-N 3.29Å; K105-D109 PolarHBondContact O-N 3.03Å
106F91Very high87.4Confident14 Ų1468.8 Ų68.86%0.06133%0.332CS..Hα-helixtrans-61.7-39.7165.8-82.2-87.1000111.6M47 E51 I55 I102 C103 D109 Q110 I122 F124M47-F106 HydrophobicContact CE-CE2 4.3Å; M47-F106 HydrophobicContact CE-CZ 4.31Å; E51-F106 HydrophobicContact CB-CE1 3.76Å; E51-F106 HydrophobicContact CB-CZ 3.8Å; E51-F106 HydrophobicContact CG-CE1 3.92Å; E51-F106 HydrophobicContact CG-CZ 4.41Å; I55-F106 HydrophobicContact CD1-CE2 3.56Å; I55-F106 HydrophobicContact CD1-CZ 3.84Å; I55-F106 HydrophobicContact CG1-CE2 3.72Å; I55-F106 HydrophobicContact CG1-CZ 4.18Å; I102-F106 HydrophobicContact CG2-CD2 3.79Å; I102-F106 HydrophobicContact CG2-CE2 3.56Å; I102-F106 WeakPolarHBondContact O-CD2 3.37Å; I102-F106 PolarHBondContact O-N 3.12Å; I102-F106 VanDerWaalsContact O-N 3.12Å; C103-F106 PolarHBondContact O-N 2.71Å; F106-D109 PolarHBondContact O-N 3.06Å; F106-Q110 VanDerWaalsContact O-CG 3.27Å; F106-Q110 WeakPolarHBondContact O-CG 3.22Å; F106-Q110 PolarHBondContact O-N 2.78Å; F106-I122 HydrophobicContact CB-CD1 3.84Å; F106-I122 HydrophobicContact CB-CG1 4.16Å; F106-I122 HydrophobicContact CB-CG2 4.08Å; F106-I122 HydrophobicContact CD1-CG2 4.42Å; F106-I122 HydrophobicContact CG-CG2 4.21Å; F106-F124 HydrophobicContact CD2-CE1 4.31Å; F106-F124 AromaticContact CD2-CZ 3.96Å; F106-F124 HydrophobicContact CD2-CZ 3.96Å; F106-F124 AromaticContact CE2-CE1 3.84Å; F106-F124 HydrophobicContact CE2-CE1 3.84Å; F106-F124 AromaticContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CZ-CE1 4.38Å
107E89.1Confident86.6Confident78 Ų7871.3 Ų71.336%0.36435%0.348SS..Hα-helixtrans-64.1-42.3176.1-70.5-176.4140.200112.4C103 K104 K105 D109 Q110 Q111 I122 A176C103-E107 PolarHBondContact O-N 2.58Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 3.45Å; K105-E107 VanDerWaalsContact C-N 3.3Å; E107-D109 VanDerWaalsContact C-N 3.33Å; E107-D109 PolarHBondContact O-N 3.15Å; E107-Q110 PolarHBondContact O-N 2.8Å; E107-Q111 WeakPolarHBondContact O-CG 3.38Å; E107-Q111 PolarHBondContact O-N 3.26Å; E107-Q111 VanDerWaalsContact O-N 3.13Å; E107-I122 HydrophobicContact CG-CD1 3.54Å; E107-A176 HydrophobicContact CG-CB 4.13Å; E107-A176 WeakPolarHBondContact OE1-CB 3.36Å
108E89.2Confident85.6Confident62 Ų6273 Ų7329%0.2937%0.367SS..Hα-helixtrans-60.1-40174.8-72.4170.7-162.300112.2K104 K105 Q111K104-E108 WeakPolarHBondContact CE-OE1 3.08Å; K104-E108 WeakPolarHBondContact O-CG 3.45Å; K104-E108 PolarHBondContact O-N 3.32Å; K105-E108 WeakPolarHBondContact CD-OE2 3.48Å; K105-E108 WeakPolarHBondContact CE-OE2 3.29Å; K105-E108 IonicContact NZ-OE1 3.73Å; K105-E108 IonicContact NZ-OE2 2.68Å; K105-E108 PolarHBondContact NZ-OE2 3.25Å; K105-E108 PolarHBondContact O-N 3.29Å; E108-Q111 PolarHBondContact O-N 2.85Å
109D85.8Confident84.7Confident52 Ų5278.8 Ų78.828%0.27839%0.393SS..Hα-helixtrans-68.6-37176.4-70.2-18000112.8S54 K105 F106 E107 Q111 Q112S54-D109 WeakPolarHBondContact CB-OD2 3.32Å; S54-D109 VanDerWaalsContact OG-CG 3.23Å; S54-D109 PolarHBondContact OG-OD1 3.22Å; S54-D109 PolarHBondContact OG-OD2 3.28Å; K105-D109 PolarHBondContact O-N 3.03Å; F106-D109 PolarHBondContact O-N 3.06Å; E107-D109 VanDerWaalsContact C-N 3.33Å; E107-D109 PolarHBondContact O-N 3.15Å; D109-Q111 PolarHBondContact O-N 2.76Å; D109-Q112 PolarHBondContact O-N 3.05Å
110Q83.3Confident84Confident45 Ų4582 Ų8221%0.2141%0.414CS..Hα-helixtrans-66.6-27176.3-68-61.1-24.700112.1F106 E107 Q112 V113 P120F106-Q110 VanDerWaalsContact O-CG 3.27Å; F106-Q110 WeakPolarHBondContact O-CG 3.22Å; F106-Q110 PolarHBondContact O-N 2.78Å; E107-Q110 PolarHBondContact O-N 2.8Å; Q110-Q112 VanDerWaalsContact C-N 3.33Å; Q110-V113 PolarHBondContact O-N 3.18Å; Q110-P120 VanDerWaalsContact OE1-CD 3.24Å; Q110-P120 VanDerWaalsContact OE1-CG 3.28Å
111Q79.9Confident83.5Confident139 Ų13981.2 Ų81.265%0.6542%0.421SS*.Hα-helixtrans-74.2-21.5176.4-71.4171.9800113.3E107 E108 D109 V113E107-Q111 WeakPolarHBondContact O-CG 3.38Å; E107-Q111 PolarHBondContact O-N 3.26Å; E107-Q111 VanDerWaalsContact O-N 3.13Å; E108-Q111 PolarHBondContact O-N 2.85Å; D109-Q111 PolarHBondContact O-N 2.76Å; Q111-V113 PolarHBondContact O-N 2.9Å
112Q79.4Confident83.3Confident158 Ų15880.6 Ų80.674%0.73842%0.418SS*.THydrogen-bonded Turntrans-74.7-11.9176.4-66.7175.429.600112.8D109 Q110D109-Q112 PolarHBondContact O-N 3.05Å; Q110-Q112 VanDerWaalsContact C-N 3.33Å
113V74.5Confident83.2Confident54 Ų5483.2 Ų83.233%0.32744%0.435SS..SBendtrans-79.3128.9175.1-1750000109Q110 Q111 V117Q110-V113 PolarHBondContact O-N 3.18Å; Q111-V113 PolarHBondContact O-N 2.9Å; V113-V117 HydrophobicContact CG1-CB 4.28Å
114P76.1Confident83.3Confident89 Ų8983.3 Ų83.358%0.57844%0.435SS*.  trans-58.7140.7-179.123.4-33.7000111.7N116 V117P114-N116 PolarHBondContact O-N 2.94Å; P114-V117 PolarHBondContact O-N 2.82Å
115E73.6Confident83.4Confident174 Ų17480.9 Ų80.981%0.81342%0.423SS*.THydrogen-bonded Turntrans-58.6-13.4-172.2-61.8-169.1150.400115.3V117E115-V117 PolarHBondContact O-N 2.81Å
116N73.2Confident83.6Confident164 Ų16478.3 Ų78.388%0.87741%0.411SS*.THydrogen-bonded Turntrans-71.7-5.3177.4-75.9-25.8000114.1P114P114-N116 PolarHBondContact O-N 2.94Å
117V76.6Confident83.7Confident77 Ų7778 Ų7847%0.46741%0.41SS..SBendtrans-116.4132.7178.6-172.20000109.9V113 P114 E115 K119V113-V117 HydrophobicContact CG1-CB 4.28Å; P114-V117 PolarHBondContact O-N 2.82Å; E115-V117 PolarHBondContact O-N 2.81Å; V117-K119 PolarHBondContact O-N 3.41Å; V117-K119 VanDerWaalsContact O-N 3.16Å
118P74.9Confident83.9Confident117 Ų11774.3 Ų74.376%0.7639%0.393SS*.PPolyproline II helixtrans-53.9121.6173.3-24.132.8000111P120P118-P120 WeakPolarHBondContact O-CD 3.37Å
119K76.4Confident84Confident123 Ų12372.1 Ų72.154%0.53538%0.384SS..PPolyproline II helixtrans-64.4117.3179.5-66.7174.9-176.9170.30109.5V117V117-K119 PolarHBondContact O-N 3.41Å; V117-K119 VanDerWaalsContact O-N 3.16Å
120P79.8Confident84.3Confident68 Ų6871 Ų7144%0.44238%0.382SS..PPolyproline II helixtrans-67143177.227.2-33.8000110.5Q110 P118Q110-P120 VanDerWaalsContact OE1-CD 3.24Å; Q110-P120 VanDerWaalsContact OE1-CG 3.28Å; P118-P120 WeakPolarHBondContact O-CD 3.37Å
121P84.8Confident84.6Confident82 Ų8272 Ų7253%0.53239%0.392SS..PPolyproline II helixtrans-64.7149.4175.328.4-34.4000110.4T123P121-T123 PolarHBondContact O-N 2.88Å
122I90.3Very high85.2Confident12 Ų1266 Ų666%0.06236%0.363CS..EExtended strand (participates in β ladder)trans-68.8131.9175-59.2172.1000108F106 E107 F124 S173 G174 I179F106-I122 HydrophobicContact CB-CD1 3.84Å; F106-I122 HydrophobicContact CB-CG1 4.16Å; F106-I122 HydrophobicContact CB-CG2 4.08Å; F106-I122 HydrophobicContact CD1-CG2 4.42Å; F106-I122 HydrophobicContact CG-CG2 4.21Å; E107-I122 HydrophobicContact CG-CD1 3.54Å; I122-F124 HydrophobicContact CG2-CD2 4.07Å; I122-F124 HydrophobicContact CG2-CE2 3.45Å; I122-F124 VanDerWaalsContact CG2-CE2 3.45Å; I122-F124 HydrophobicContact CG2-CZ 4.02Å; I122-S173 WeakPolarHBondContact O-CA 3.17Å; I122-G174 PolarHBondContact O-N 3.29Å; I122-I179 HydrophobicContact CB-CD1 3.86Å; I122-I179 HydrophobicContact CG2-CD1 3.91Å
123T92.9Very high85.8Confident57 Ų5758.5 Ų58.535%0.3533%0.329SS..EExtended strand (participates in β ladder)trans-125129.318066.50000111.5P121 I172P121-T123 PolarHBondContact O-N 2.88Å; T123-I172 CarbonylContact C-O 3.46Å; T123-I172 VanDerWaalsContact CA-O 3.31Å; T123-I172 WeakPolarHBondContact CA-O 3.42Å
124F94.5Very high86.6Confident1 Ų158.1 Ų58.10%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-115.2137.1172.4-70.4-82.5000110.3L45 M47 I102 F106 I122 T171 I172 I179 M183L45-F124 HydrophobicContact CD1-CD1 4.49Å; M47-F124 HydrophobicContact CE-CD1 3.39Å; M47-F124 HydrophobicContact CE-CE1 3.35Å; I102-F124 HydrophobicContact CG2-CE1 3.84Å; I102-F124 HydrophobicContact CG2-CZ 3.98Å; F106-F124 HydrophobicContact CD2-CE1 4.31Å; F106-F124 AromaticContact CD2-CZ 3.96Å; F106-F124 HydrophobicContact CD2-CZ 3.96Å; F106-F124 AromaticContact CE2-CE1 3.84Å; F106-F124 HydrophobicContact CE2-CE1 3.84Å; F106-F124 AromaticContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CE2-CZ 3.98Å; F106-F124 HydrophobicContact CZ-CE1 4.38Å; I122-F124 HydrophobicContact CG2-CD2 4.07Å; I122-F124 HydrophobicContact CG2-CE2 3.45Å; I122-F124 VanDerWaalsContact CG2-CE2 3.45Å; I122-F124 HydrophobicContact CG2-CZ 4.02Å; F124-T171 CarbonylContact O-C 3.45Å; F124-T171 WeakPolarHBondContact O-CA 3.47Å; F124-I172 PolarHBondContact N-O 3.35Å; F124-I172 PolarHBondContact O-N 2.6Å; F124-I179 HydrophobicContact CD2-CD1 3.94Å; F124-I179 HydrophobicContact CD2-CG1 4.5Å; F124-I179 HydrophobicContact CD2-CG2 3.52Å; F124-I179 HydrophobicContact CE2-CD1 3.97Å; F124-I179 HydrophobicContact CE2-CG2 3.71Å; F124-M183 HydrophobicContact CB-CE 3.92Å; F124-M183 HydrophobicContact CG-CE 4.35Å
125R94.6Very high87.4Confident76 Ų7656.1 Ų56.129%0.28732%0.324SS..EExtended strand (participates in β ladder)trans-107.6108.4171.6-62.6171.568.5-157.42.4109L45 L46 E83 V170 T171L45-R125 CarbonylContact C-O 3.59Å; L45-R125 WeakPolarHBondContact CA-O 3.42Å; L46-R125 HydrophobicContact CB-CB 4.14Å; L46-R125 PolarHBondContact N-O 2.68Å; L46-R125 WeakPolarHBondContact O-CB 3.31Å; E83-R125 IonicContact OE1-CZ 2.69Å; E83-R125 IonicContact OE1-NH1 3.13Å; E83-R125 PolarHBondContact OE1-NH1 2.97Å; R125-V170 CarbonylContact C-O 3.57Å; R125-T171 HydrophobicContact CG-CG2 4.2Å
126L95Very high88.4Confident2 Ų248 Ų481%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-87.1135.1176.3178.169.1000109.9I43 R44 L45 V128 A169 V170 I186I43-L126 HydrophobicContact CG2-CD1 3.5Å; I43-L126 VanDerWaalsContact CG2-CD1 3.5Å; R44-L126 WeakPolarHBondContact O-CD1 3.28Å; L45-L126 HydrophobicContact CD2-CB 4.41Å; L45-L126 HydrophobicContact CD2-CD1 3.98Å; L126-V128 HydrophobicContact CD2-CG2 3.53Å; L126-V128 HydrophobicContact CG-CG2 3.61Å; L126-A169 CarbonylContact O-C 3.58Å; L126-A169 WeakPolarHBondContact O-CA 3.28Å; L126-V170 HydrophobicContact CB-CB 4.35Å; L126-V170 PolarHBondContact N-O 2.93Å; L126-V170 PolarHBondContact O-N 3.39Å; L126-I186 HydrophobicContact CD2-CG2 3.74Å
127I93.8Very high89.4Confident8 Ų842.5 Ų42.54%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-94.4121.4172.8-55.3175.4000108.1R44 L46 I85 L162 E167 Y202R44-I127 HydrophobicContact CB-CB 4.16Å; R44-I127 PolarHBondContact O-N 3.39Å; L46-I127 HydrophobicContact CB-CD1 4Å; L46-I127 HydrophobicContact CB-CG1 3.96Å; L46-I127 HydrophobicContact CD1-CD1 4.45Å; I85-I127 HydrophobicContact CD1-CD1 3.95Å; I85-I127 HydrophobicContact CG1-CD1 4.12Å; I85-I127 HydrophobicContact CG2-CD1 4.21Å; I127-L162 HydrophobicContact CG1-CD1 4.29Å; I127-L162 HydrophobicContact CG2-CD1 4.06Å; I127-E167 HydrophobicContact CG2-CB 3.56Å; I127-E167 VanDerWaalsContact CG2-CD 3.48Å; I127-E167 HydrophobicContact CG2-CG 4.07Å; I127-E167 WeakPolarHBondContact CG2-OE2 3.45Å; I127-Y202 HydrophobicContact CD1-CD1 4.27Å
128V93.1Very high90.2Very high1 Ų139.8 Ų39.81%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-129.3133.7-179.1-174.80000109.8L126 A130 Q132 E167 R168 V170 L190L126-V128 HydrophobicContact CD2-CG2 3.53Å; L126-V128 HydrophobicContact CG-CG2 3.61Å; V128-A130 PolarHBondContact O-N 2.94Å; V128-Q132 HydrophobicContact CG1-CB 3.83Å; V128-E167 CarbonylContact O-C 3.22Å; V128-E167 WeakPolarHBondContact O-CA 3.3Å; V128-R168 PolarHBondContact N-O 3.43Å; V128-R168 PolarHBondContact O-N 2.77Å; V128-V170 HydrophobicContact CB-CG2 4.47Å; V128-V170 HydrophobicContact CG2-CG2 4.04Å; V128-L190 HydrophobicContact CG1-CD2 3.83Å
129P92.5Very high91.1Very high15 Ų1544 Ų4410%0.09725%0.25CC..EExtended strand (participates in β ladder)trans-56.1138.1171.8-24.834.3000112.2T131 Q132 C133 T199P129-T131 PolarHBondContact O-N 3.11Å; P129-Q132 PolarHBondContact O-N 3.33Å; P129-C133 PolarHBondContact O-N 3.27Å; P129-C133 VanDerWaalsContact O-N 3.1Å; P129-C133 PolarHBondContact O-SG 2.92Å; P129-C133 VanDerWaalsContact O-SG 3.34Å; P129-T199 HydrophobicContact CB-CG2 3.8Å; P129-T199 HydrophobicContact CG-CG2 4.18Å
130A90.4Very high91.9Very high28 Ų2842.7 Ų42.723%0.23127%0.27CS..Hα-helixtrans-54.4-31.8-177.500000113.2V128 C133 M161 T166V128-A130 PolarHBondContact O-N 2.94Å; A130-C133 WeakPolarHBondContact O-CB 3.31Å; A130-C133 PolarHBondContact O-N 2.84Å; A130-M161 HydrophobicContact CB-CE 3.93Å; A130-T166 VanDerWaalsContact CB-O 3.27Å; A130-T166 WeakPolarHBondContact CB-O 3.42Å; A130-T166 PolarHBondContact N-O 2.74Å
131T89.8Confident92.6Very high68 Ų6840.4 Ų40.442%0.41726%0.259SS..Hα-helixtrans-68.6-31.5178.662.30000113.4P129 K196P129-T131 PolarHBondContact O-N 3.11Å; T131-K196 WeakPolarHBondContact CG2-O 3.08Å; T131-K196 PolarHBondContact OG1-N 3.1Å
132Q92.3Very high93.1Very high12 Ų1239.4 Ų39.46%0.05625%0.254CS..Hα-helixtrans-83.9-28.8175.2-68-168.2-55.700111.8V128 P129 G134 S135 L136 L190 S193 P195V128-Q132 HydrophobicContact CG1-CB 3.83Å; P129-Q132 PolarHBondContact O-N 3.33Å; Q132-G134 PolarHBondContact O-N 2.82Å; Q132-S135 PolarHBondContact O-N 3.38Å; Q132-S135 VanDerWaalsContact O-N 3.08Å; Q132-L136 PolarHBondContact O-N 3.16Å; Q132-L136 VanDerWaalsContact O-N 3.08Å; Q132-L190 HydrophobicContact CB-CD2 3.85Å; Q132-L190 HydrophobicContact CG-CD2 4.45Å; Q132-L190 PolarHBondContact NE2-O 3.43Å; Q132-L190 VanDerWaalsContact NE2-O 3.12Å; Q132-S193 PolarHBondContact NE2-O 3.38Å; Q132-P195 HydrophobicContact CG-CB 4.04Å
133C91.9Very high93.4Very high1 Ų142.4 Ų42.41%0.00727%0.267CS..Hα-helixtrans-55.3-36176-63.60000112.4P129 A130 S135 L136 I137P129-C133 PolarHBondContact O-N 3.27Å; P129-C133 VanDerWaalsContact O-N 3.1Å; P129-C133 PolarHBondContact O-SG 2.92Å; P129-C133 VanDerWaalsContact O-SG 3.34Å; A130-C133 WeakPolarHBondContact O-CB 3.31Å; A130-C133 PolarHBondContact O-N 2.84Å; C133-S135 PolarHBondContact O-N 2.77Å; C133-L136 PolarHBondContact O-N 3.23Å; C133-I137 VanDerWaalsContact O-CG1 3.27Å; C133-I137 WeakPolarHBondContact O-CG1 3.36Å; C133-I137 PolarHBondContact O-N 2.83Å
134G92.2Very high93.5Very high46 Ų4640.1 Ų40.147%0.47425%0.253SS..Hα-helixtrans-59.7-43.217700000113Q132 G138Q132-G134 PolarHBondContact O-N 2.82Å; G134-G138 PolarHBondContact O-N 2.86Å
135S92.2Very high93.5Very high47 Ų4748.2 Ų48.233%0.32928%0.283SS..Hα-helixtrans-69.6-34.7175.9-57.30000112.6Q132 C133 K143 S193Q132-S135 PolarHBondContact O-N 3.38Å; Q132-S135 VanDerWaalsContact O-N 3.08Å; C133-S135 PolarHBondContact O-N 2.77Å; S135-K143 WeakPolarHBondContact O-CD 3.24Å; S135-S193 WeakPolarHBondContact CB-OG 3.39Å; S135-S193 WeakPolarHBondContact OG-CB 3.46Å; S135-S193 PolarHBondContact OG-OG 3.34Å
136L94.4Very high93.6Very high2 Ų248.3 Ų48.31%0.0129%0.289CS..Hα-helixtrans-66.9-41.2176.4-172.3152000111.9Q132 C133 I144 I186Q132-L136 PolarHBondContact O-N 3.16Å; Q132-L136 VanDerWaalsContact O-N 3.08Å; C133-L136 PolarHBondContact O-N 3.23Å; L136-I144 HydrophobicContact CD2-CD1 4.06Å; L136-I144 HydrophobicContact CD2-CG1 4.42Å; L136-I144 PolarHBondContact O-N 2.83Å; L136-I186 HydrophobicContact CD1-CG1 4.32Å; L136-I186 HydrophobicContact CD1-CG2 3.88Å
137I94.4Very high93.6Very high50 Ų5048.4 Ų48.426%0.25629%0.29SS..Hα-helixtrans-71.1-43.9176.5-64.6165.8000110.5C133 G141 K143 I144 V157C133-I137 VanDerWaalsContact O-CG1 3.27Å; C133-I137 WeakPolarHBondContact O-CG1 3.36Å; C133-I137 PolarHBondContact O-N 2.83Å; I137-G141 CarbonylContact O-C 3.57Å; I137-G141 VanDerWaalsContact O-CA 3.22Å; I137-G141 WeakPolarHBondContact O-CA 3.47Å; I137-K143 PolarHBondContact O-N 2.81Å; I137-I144 HydrophobicContact CB-CG2 4.44Å; I137-I144 HydrophobicContact CG2-CG2 4.14Å; I137-I144 PolarHBondContact O-N 3.45Å; I137-V157 HydrophobicContact CD1-CG1 4.36Å; I137-V157 HydrophobicContact CG1-CG2 4.47Å
138G93.2Very high93.7Very high19 Ų1952.9 Ų52.920%0.19631%0.306CS..  trans76.3171.7-174.400000113.2G134 G140 G141G134-G138 PolarHBondContact O-N 2.86Å; G138-G140 PolarHBondContact O-N 3.22Å; G138-G141 PolarHBondContact O-N 3.02Å; G138-G141 VanDerWaalsContact O-N 3.12Å
139K94.3Very high93.8Very high207 Ų20760 Ų6090%0.934%0.339SS*.G310 helixtrans-62121.3178.6-62.4177.5-176.5176.50109.2G141 S142K139-G141 PolarHBondContact O-N 3.27Å; K139-S142 PolarHBondContact O-N 3.34Å
140G94.2Very high94Very high94 Ų9462.8 Ų62.897%0.96936%0.364SS*.G310 helixtrans65.815.2-178.100000115.2G138 S142G138-G140 PolarHBondContact O-N 3.22Å; G140-S142 VanDerWaalsContact C-N 3.33Å
141G94Very high94.2Very high20 Ų2062.2 Ų62.221%0.20636%0.358CS..G310 helixtrans77.513.6-176.500000114.9I137 G138 K139 I144 R145I137-G141 CarbonylContact O-C 3.57Å; I137-G141 VanDerWaalsContact O-CA 3.22Å; I137-G141 WeakPolarHBondContact O-CA 3.47Å; G138-G141 PolarHBondContact O-N 3.02Å; G138-G141 VanDerWaalsContact O-N 3.12Å; K139-G141 PolarHBondContact O-N 3.27Å; G141-I144 VanDerWaalsContact O-CG2 3.28Å; G141-I144 WeakPolarHBondContact O-CG2 3.43Å; G141-R145 VanDerWaalsContact O-CB 3.28Å; G141-R145 WeakPolarHBondContact O-CB 3.48Å; G141-R145 PolarHBondContact O-N 2.9Å
142S95.8Very high94.3Very high62 Ų6262.1 Ų62.143%0.43437%0.37SS..Hα-helixtrans-59.2-54.3-179.1-166.30000111.8K139 G140 I144 R145 D146K139-S142 PolarHBondContact O-N 3.34Å; G140-S142 VanDerWaalsContact C-N 3.33Å; S142-I144 PolarHBondContact O-N 3.07Å; S142-R145 WeakPolarHBondContact O-CB 3.31Å; S142-R145 PolarHBondContact O-N 3.45Å; S142-D146 PolarHBondContact O-N 3.44Å; S142-D146 VanDerWaalsContact O-OD2 3.09Å; S142-D146 PolarHBondContact OG-OD2 3.47Å
143K95.1Very high94.5Very high75 Ų7561.7 Ų61.733%0.32637%0.369SS..Hα-helixtrans-58.4-46.8-176.1-82.4-163.1170.9-168.10112S135 I137 R145 D146 I147 E192S135-K143 WeakPolarHBondContact O-CD 3.24Å; I137-K143 PolarHBondContact O-N 2.81Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.49Å; K143-D146 PolarHBondContact O-N 3.34Å; K143-I147 WeakPolarHBondContact O-CD1 3.47Å; K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 2.83Å; K143-E192 IonicContact NZ-OE1 2.77Å; K143-E192 IonicContact NZ-OE2 3.99Å; K143-E192 PolarHBondContact NZ-OE2 3.45Å; K143-E192 VanDerWaalsContact NZ-OE2 3.13Å
144I95.4Very high94.6Very high9 Ų964.4 Ų64.45%0.04639%0.387CS..Hα-helixtrans-67-34.3178.7-172.1168.7000112.4L136 I137 G141 S142 R148 I155 V157L136-I144 HydrophobicContact CD2-CD1 4.06Å; L136-I144 HydrophobicContact CD2-CG1 4.42Å; L136-I144 PolarHBondContact O-N 2.83Å; I137-I144 HydrophobicContact CB-CG2 4.44Å; I137-I144 HydrophobicContact CG2-CG2 4.14Å; I137-I144 PolarHBondContact O-N 3.45Å; G141-I144 VanDerWaalsContact O-CG2 3.28Å; G141-I144 WeakPolarHBondContact O-CG2 3.43Å; S142-I144 PolarHBondContact O-N 3.07Å; I144-R148 VanDerWaalsContact O-CG 3.28Å; I144-R148 WeakPolarHBondContact O-CG 3.34Å; I144-R148 PolarHBondContact O-N 3.12Å; I144-I155 HydrophobicContact CD1-CG2 3.95Å; I144-I155 HydrophobicContact CG1-CG2 4.35Å; I144-V157 HydrophobicContact CD1-CG2 3.48Å; I144-V157 VanDerWaalsContact CD1-CG2 3.48Å
145R95.7Very high94.8Very high170 Ų17062.3 Ų62.364%0.64237%0.365SS*.Hα-helixtrans-64.4-46174.8-178.4-179.2175.5179.8-1.1110.8G141 S142 K143 I147 R148 E149G141-R145 VanDerWaalsContact O-CB 3.28Å; G141-R145 WeakPolarHBondContact O-CB 3.48Å; G141-R145 PolarHBondContact O-N 2.9Å; S142-R145 WeakPolarHBondContact O-CB 3.31Å; S142-R145 PolarHBondContact O-N 3.45Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-R145 PolarHBondContact O-N 3.49Å; R145-I147 VanDerWaalsContact C-N 3.31Å; R145-I147 PolarHBondContact O-N 2.94Å; R145-R148 WeakPolarHBondContact O-CB 3.28Å; R145-R148 PolarHBondContact O-N 3.24Å; R145-R148 VanDerWaalsContact O-N 3.16Å; R145-E149 PolarHBondContact O-N 2.93Å
146D95.7Very high94.9Very high79 Ų7965.7 Ų65.742%0.42238%0.376SS..Hα-helixtrans-61.1-41.1179.1-56.2-24.2000110.9S142 K143 E149 A150S142-D146 PolarHBondContact O-N 3.44Å; S142-D146 VanDerWaalsContact O-OD2 3.09Å; S142-D146 PolarHBondContact OG-OD2 3.47Å; K143-D146 PolarHBondContact O-N 3.34Å; D146-E149 PolarHBondContact O-N 3.38Å; D146-A150 WeakPolarHBondContact O-CB 3.34Å; D146-A150 PolarHBondContact O-N 2.95Å
147I95.6Very high94.9Very high4 Ų467.3 Ų67.32%0.02139%0.386CS..Hα-helixtrans-65.2-42.9176.1-60160.3000111.1K143 R145 E149 A150 T151 I155 Q185 I189K143-I147 WeakPolarHBondContact O-CD1 3.47Å; K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 2.83Å; R145-I147 VanDerWaalsContact C-N 3.31Å; R145-I147 PolarHBondContact O-N 2.94Å; I147-E149 VanDerWaalsContact C-N 3.33Å; I147-E149 PolarHBondContact O-N 3.14Å; I147-A150 PolarHBondContact O-N 3.29Å; I147-T151 HydrophobicContact CG2-CG2 4.14Å; I147-T151 WeakPolarHBondContact O-CB 3.31Å; I147-T151 WeakPolarHBondContact O-CG2 3.45Å; I147-T151 PolarHBondContact O-N 3.41Å; I147-T151 PolarHBondContact O-OG1 3.5Å; I147-I155 HydrophobicContact CB-CD1 4.23Å; I147-I155 HydrophobicContact CG2-CD1 3.66Å; I147-Q185 HydrophobicContact CG1-CB 4.49Å; I147-Q185 HydrophobicContact CG2-CB 4.26Å; I147-I189 HydrophobicContact CD1-CD1 3.36Å; I147-I189 HydrophobicContact CG1-CD1 4.22Å
148R95.7Very high94.9Very high102 Ų10266.5 Ų66.539%0.38539%0.386SS..Hα-helixtrans-61-43.2177.1-72.9172.7-177.4159.22.3111.1I144 R145 G152 I155I144-R148 VanDerWaalsContact O-CG 3.28Å; I144-R148 WeakPolarHBondContact O-CG 3.34Å; I144-R148 PolarHBondContact O-N 3.12Å; R145-R148 WeakPolarHBondContact O-CB 3.28Å; R145-R148 PolarHBondContact O-N 3.24Å; R145-R148 VanDerWaalsContact O-N 3.16Å; R148-G152 WeakPolarHBondContact O-CA 3.43Å; R148-G152 PolarHBondContact O-N 3.23Å; R148-I155 HydrophobicContact CG-CB 3.94Å; R148-I155 HydrophobicContact CG-CD1 3.8Å; R148-I155 HydrophobicContact CG-CG1 3.88Å; R148-I155 PolarHBondContact NE-O 3.12Å; R148-I155 PolarHBondContact NH2-O 2.69Å
149E95.6Very high94.7Very high149 Ų14970.8 Ų70.870%0.69641%0.414SS*.Hα-helixtrans-69.1-44.6179.1-172.4168.2175.600111.9R145 D146 I147 T151R145-E149 PolarHBondContact O-N 2.93Å; D146-E149 PolarHBondContact O-N 3.38Å; I147-E149 VanDerWaalsContact C-N 3.33Å; I147-E149 PolarHBondContact O-N 3.14Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 3.36Å
150A95.6Very high94.5Very high75 Ų7568.5 Ų68.562%0.6241%0.406SS*.Hα-helixtrans-68.2-27.3-179.900000113.8D146 I147D146-A150 WeakPolarHBondContact O-CB 3.34Å; D146-A150 PolarHBondContact O-N 2.95Å; I147-A150 PolarHBondContact O-N 3.29Å
151T94.9Very high94.2Very high16 Ų1668.1 Ų68.110%0.09838%0.38CS..Hα-helixtrans-103.2-23-176.460.80000113.3I147 E149 A153 A178 C181 C182I147-T151 HydrophobicContact CG2-CG2 4.14Å; I147-T151 WeakPolarHBondContact O-CB 3.31Å; I147-T151 WeakPolarHBondContact O-CG2 3.45Å; I147-T151 PolarHBondContact O-N 3.41Å; I147-T151 PolarHBondContact O-OG1 3.5Å; E149-T151 VanDerWaalsContact C-N 3.31Å; E149-T151 PolarHBondContact O-N 3.36Å; T151-A153 PolarHBondContact O-N 3.2Å; T151-A153 PolarHBondContact OG1-N 3.29Å; T151-A178 VanDerWaalsContact O-CB 3.3Å; T151-A178 WeakPolarHBondContact O-CB 3.29Å; T151-C181 HydrophobicContact CG2-CB 4.16Å; T151-C182 HydrophobicContact CG2-CB 3.83Å
152G93.3Very high93.8Very high65 Ų6568.1 Ų68.167%0.6738%0.375SS*.  trans68.86.4-168.100000114.1R148R148-G152 WeakPolarHBondContact O-CA 3.43Å; R148-G152 PolarHBondContact O-N 3.23Å
153A94.7Very high93.3Very high4 Ų469 Ų693%0.03338%0.38CS..  trans-85143.9178.800000111.7T151 I155 I172 A178 C182T151-A153 PolarHBondContact O-N 3.2Å; T151-A153 PolarHBondContact OG1-N 3.29Å; A153-I155 PolarHBondContact O-N 3.42Å; A153-I172 HydrophobicContact CB-CG2 4.29Å; A153-A178 HydrophobicContact CB-CB 4.07Å; A153-C182 HydrophobicContact CB-CB 4.22Å
154S95.1Very high92.8Very high57 Ų5770.1 Ų70.140%0.39940%0.397SS..EExtended strand (participates in β ladder)trans-86.3107172.8176.10000109.9S173S154-S173 WeakPolarHBondContact CB-OG 3.39Å; S154-S173 PolarHBondContact N-O 3.12Å; S154-S173 PolarHBondContact O-N 2.8Å; S154-S173 PolarHBondContact O-OG 3.06Å; S154-S173 VanDerWaalsContact O-OG 3.06Å
155I95.9Very high92.4Very high3 Ų370.4 Ų70.42%0.01540%0.399CS..EExtended strand (participates in β ladder)trans-103.8131.3-179.8-50.8171.5000108.5I144 I147 R148 A153 V170 T171 I172 C182I144-I155 HydrophobicContact CD1-CG2 3.95Å; I144-I155 HydrophobicContact CG1-CG2 4.35Å; I147-I155 HydrophobicContact CB-CD1 4.23Å; I147-I155 HydrophobicContact CG2-CD1 3.66Å; R148-I155 HydrophobicContact CG-CB 3.94Å; R148-I155 HydrophobicContact CG-CD1 3.8Å; R148-I155 HydrophobicContact CG-CG1 3.88Å; R148-I155 PolarHBondContact NE-O 3.12Å; R148-I155 PolarHBondContact NH2-O 2.69Å; A153-I155 PolarHBondContact O-N 3.42Å; I155-V170 HydrophobicContact CG2-CG1 3.68Å; I155-T171 CarbonylContact C-O 3.48Å; I155-T171 WeakPolarHBondContact CA-O 3.17Å; I155-I172 HydrophobicContact CG1-CG1 4.42Å; I155-I172 HydrophobicContact CG1-CG2 4.5Å; I155-I172 HydrophobicContact CG2-CG1 4.21Å; I155-C182 WeakPolarHBondContact CD1-SG 3.45Å
156Q94.8Very high92Very high117 Ų11764.3 Ų64.355%0.54738%0.381SS..EExtended strand (participates in β ladder)trans-128.7129.6176.7-61.7-179.714.200109.3V170 T171Q156-V170 CarbonylContact O-C 3.57Å; Q156-V170 WeakPolarHBondContact O-CA 3.46Å; Q156-T171 PolarHBondContact N-O 2.77Å; Q156-T171 PolarHBondContact O-N 2.77Å
157V94.3Very high91.9Very high37 Ų3761 Ų6122%0.22436%0.363CS..EExtended strand (participates in β ladder)trans-104.5126.6178-178.10000107.9I137 I144 S159 V170I137-V157 HydrophobicContact CD1-CG1 4.36Å; I137-V157 HydrophobicContact CG1-CG2 4.47Å; I144-V157 HydrophobicContact CD1-CG2 3.48Å; I144-V157 VanDerWaalsContact CD1-CG2 3.48Å; V157-S159 PolarHBondContact O-N 3.19Å; V157-V170 HydrophobicContact CG1-CG2 4.29Å; V157-V170 HydrophobicContact CG2-CG1 4.18Å; V157-V170 HydrophobicContact CG2-CG2 4.18Å
158A93.3Very high91.8Very high32 Ų3264.2 Ų64.226%0.26438%0.375SS..  trans-64.8133.6174.600000110.6E160 A169A158-E160 VanDerWaalsContact C-N 3.34Å; A158-A169 HydrophobicContact CB-CB 4.46Å; A158-A169 VanDerWaalsContact CB-O 3.29Å; A158-A169 WeakPolarHBondContact CB-O 3.43Å; A158-A169 PolarHBondContact N-O 2.76Å
159S88.8Confident91.7Very high110 Ų11059.6 Ų59.677%0.76936%0.359SS*.SBendtrans-69.4-36.7175.2-58.60000111.4V157 R168V157-S159 PolarHBondContact O-N 3.19Å; S159-R168 PolarHBondContact O-NE 2.69Å; S159-R168 PolarHBondContact O-NH2 2.92Å
160E90.5Very high91.7Very high159 Ų15952.6 Ų52.674%0.74333%0.326SS*.SBendtrans-86152.9178.864.1-170-179.700112.3A158A158-E160 VanDerWaalsContact C-N 3.34Å
161M88.4Confident91.7Very high86 Ų8650.9 Ų50.942%0.42431%0.308SS..PPolyproline II helixtrans-84149.8172.3-57.1168.882.800108.1A130 T166 E167 R168A130-M161 HydrophobicContact CB-CE 3.93Å; M161-T166 HydrophobicContact CE-CG2 4.34Å; M161-T166 WeakPolarHBondContact CE-O 3.47Å; M161-E167 WeakPolarHBondContact CA-O 3.43Å; M161-R168 HydrophobicContact CG-CG 4.17Å
162L86.7Confident91.7Very high19 Ų1950.1 Ų50.110%0.09930%0.303CS..PPolyproline II helixtrans-61.4142.3175.3-70.8169.6000109.6I127 S164 S165 E167 A169 Y202I127-L162 HydrophobicContact CG1-CD1 4.29Å; I127-L162 HydrophobicContact CG2-CD1 4.06Å; L162-S164 PolarHBondContact O-N 3.15Å; L162-S165 PolarHBondContact O-N 3.32Å; L162-E167 PolarHBondContact N-O 2.75Å; L162-A169 HydrophobicContact CD2-CB 4.32Å; L162-Y202 HydrophobicContact CB-CD2 3.61Å; L162-Y202 HydrophobicContact CB-CE2 4.04Å; L162-Y202 HydrophobicContact CB-CG 3.93Å; L162-Y202 HydrophobicContact CD1-CD1 3.84Å; L162-Y202 HydrophobicContact CD1-CD2 4.27Å; L162-Y202 HydrophobicContact CD1-CE1 4.43Å; L162-Y202 HydrophobicContact CD1-CG 3.73Å; L162-Y202 HydrophobicContact CG-CD2 4.44Å; L162-Y202 HydrophobicContact CG-CG 4.38Å
163P84.1Confident91.8Very high82 Ų8248 Ų4853%0.53228%0.278SS..THydrogen-bonded Turntrans-59.5135.9-174.723.1-31.3000110.3S165 Y202P163-S165 PolarHBondContact O-N 2.86Å; P163-Y202 HydrophobicContact CG-CE2 4.02Å; P163-Y202 WeakPolarHBondContact O-CD2 3.45Å
164S83.9Confident91.7Very high98 Ų9848.8 Ų48.869%0.68529%0.287SS*.THydrogen-bonded Turntrans60.723.6-176.2-47.60000115.1L162L162-S164 PolarHBondContact O-N 3.15Å
165S87.3Confident91.6Very high14 Ų1450.5 Ų50.510%0.09830%0.295CS..SBendtrans-140.1156.3-178.8-179.20000112.4L162 P163 E167 V200 Y202L162-S165 PolarHBondContact O-N 3.32Å; P163-S165 PolarHBondContact O-N 2.86Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 WeakPolarHBondContact OG-CB 3.27Å; S165-E167 WeakPolarHBondContact OG-CG 3.41Å; S165-E167 PolarHBondContact OG-N 3.08Å; S165-V200 PolarHBondContact OG-O 2.86Å; S165-Y202 WeakPolarHBondContact OG-CA 3.28Å; S165-Y202 PolarHBondContact OG-N 3.23Å; S165-Y202 VanDerWaalsContact OG-N 3.08Å
166T88.8Confident91.4Very high42 Ų4250.6 Ų50.626%0.25830%0.296SS..SBendtrans-90.911169.662.40000113.2A130 M161 T199 V200A130-T166 VanDerWaalsContact CB-O 3.27Å; A130-T166 WeakPolarHBondContact CB-O 3.42Å; A130-T166 PolarHBondContact N-O 2.74Å; M161-T166 HydrophobicContact CE-CG2 4.34Å; M161-T166 WeakPolarHBondContact CE-O 3.47Å; T166-T199 WeakPolarHBondContact OG1-CA 3.17Å; T166-V200 HydrophobicContact CG2-CB 4.14Å; T166-V200 HydrophobicContact CG2-CG2 4.17Å; T166-V200 PolarHBondContact N-O 2.65Å; T166-V200 VanDerWaalsContact N-O 3.15Å; T166-V200 PolarHBondContact OG1-N 2.74Å
167E93.1Very high91.3Very high10 Ų1050.5 Ų50.55%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-102150.6-175.4-58.5177138.600111.3R44 I127 V128 M161 L162 S165 P201 Y202R44-E167 IonicContact CZ-OE2 3.71Å; R44-E167 IonicContact NH1-OE1 3.87Å; R44-E167 PolarHBondContact NH1-OE1 3.2Å; R44-E167 IonicContact NH1-OE2 2.74Å; R44-E167 PolarHBondContact NH1-OE2 3.4Å; I127-E167 HydrophobicContact CG2-CB 3.56Å; I127-E167 VanDerWaalsContact CG2-CD 3.48Å; I127-E167 HydrophobicContact CG2-CG 4.07Å; I127-E167 WeakPolarHBondContact CG2-OE2 3.45Å; V128-E167 CarbonylContact O-C 3.22Å; V128-E167 WeakPolarHBondContact O-CA 3.3Å; M161-E167 WeakPolarHBondContact CA-O 3.43Å; L162-E167 PolarHBondContact N-O 2.75Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 WeakPolarHBondContact OG-CB 3.27Å; S165-E167 WeakPolarHBondContact OG-CG 3.41Å; S165-E167 PolarHBondContact OG-N 3.08Å; E167-P201 WeakPolarHBondContact OE2-CA 3.41Å; E167-Y202 WeakPolarHBondContact OE2-CB 3.48Å; E167-Y202 PolarHBondContact OE2-N 3.08Å
168R93.4Very high91.3Very high72 Ų7249.2 Ų49.227%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-113.7147.6174.8-71.2-176.6160.1161.4-4.6109.9V128 S159 M161V128-R168 PolarHBondContact N-O 3.43Å; V128-R168 PolarHBondContact O-N 2.77Å; S159-R168 PolarHBondContact O-NE 2.69Å; S159-R168 PolarHBondContact O-NH2 2.92Å; M161-R168 HydrophobicContact CG-CG 4.17Å
169A93.6Very high91.4Very high5 Ų547.7 Ų47.74%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-86.8131.8172.400000110.5L126 A158 L162L126-A169 CarbonylContact O-C 3.58Å; L126-A169 WeakPolarHBondContact O-CA 3.28Å; A158-A169 HydrophobicContact CB-CB 4.46Å; A158-A169 VanDerWaalsContact CB-O 3.29Å; A158-A169 WeakPolarHBondContact CB-O 3.43Å; A158-A169 PolarHBondContact N-O 2.76Å; L162-A169 HydrophobicContact CD2-CB 4.32Å
170V95.3Very high91.6Very high1 Ų143 Ų431%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-113.8110.8172.1-178.10000107.7R125 L126 V128 I155 Q156 V157 I172R125-V170 CarbonylContact C-O 3.57Å; L126-V170 HydrophobicContact CB-CB 4.35Å; L126-V170 PolarHBondContact N-O 2.93Å; L126-V170 PolarHBondContact O-N 3.39Å; V128-V170 HydrophobicContact CB-CG2 4.47Å; V128-V170 HydrophobicContact CG2-CG2 4.04Å; I155-V170 HydrophobicContact CG2-CG1 3.68Å; Q156-V170 CarbonylContact O-C 3.57Å; Q156-V170 WeakPolarHBondContact O-CA 3.46Å; V157-V170 HydrophobicContact CG1-CG2 4.29Å; V157-V170 HydrophobicContact CG2-CG1 4.18Å; V157-V170 HydrophobicContact CG2-CG2 4.18Å; V170-I172 HydrophobicContact CG1-CG1 4.37Å
171T95.3Very high91.8Very high40 Ų4037.5 Ų37.525%0.24523%0.225CC..EExtended strand (participates in β ladder)trans-88.2128.2178.3-52.50000109.5F124 R125 I155 Q156F124-T171 CarbonylContact O-C 3.45Å; F124-T171 WeakPolarHBondContact O-CA 3.47Å; R125-T171 HydrophobicContact CG-CG2 4.2Å; I155-T171 CarbonylContact C-O 3.48Å; I155-T171 WeakPolarHBondContact CA-O 3.17Å; Q156-T171 PolarHBondContact N-O 2.77Å; Q156-T171 PolarHBondContact O-N 2.77Å
172I95.6Very high92.1Very high0 Ų033.4 Ų33.40%021%0.205CC..EExtended strand (participates in β ladder)trans-120.3128.3177.9-58.3161.6000107.1T123 F124 A153 I155 V170 I179 C182 M183 I186T123-I172 CarbonylContact C-O 3.46Å; T123-I172 VanDerWaalsContact CA-O 3.31Å; T123-I172 WeakPolarHBondContact CA-O 3.42Å; F124-I172 PolarHBondContact N-O 3.35Å; F124-I172 PolarHBondContact O-N 2.6Å; A153-I172 HydrophobicContact CB-CG2 4.29Å; I155-I172 HydrophobicContact CG1-CG1 4.42Å; I155-I172 HydrophobicContact CG1-CG2 4.5Å; I155-I172 HydrophobicContact CG2-CG1 4.21Å; V170-I172 HydrophobicContact CG1-CG1 4.37Å; I172-I179 HydrophobicContact CG2-CG1 4.24Å; I172-C182 HydrophobicContact CG2-CB 4.44Å; I172-M183 HydrophobicContact CD1-CE 3.49Å; I172-M183 VanDerWaalsContact CD1-CE 3.49Å; I172-M183 HydrophobicContact CD1-SD 3.91Å; I172-I186 HydrophobicContact CD1-CD1 3.49Å; I172-I186 VanDerWaalsContact CD1-CD1 3.49Å; I172-I186 HydrophobicContact CG1-CD1 4.42Å
173S94.1Very high92.5Very high20 Ų2032.7 Ų32.714%0.1420%0.201CC..EExtended strand (participates in β ladder)trans-135140.5-177.455.70000110.7I122 S154I122-S173 WeakPolarHBondContact O-CA 3.17Å; S154-S173 WeakPolarHBondContact CB-OG 3.39Å; S154-S173 PolarHBondContact N-O 3.12Å; S154-S173 PolarHBondContact O-N 2.8Å; S154-S173 PolarHBondContact O-OG 3.06Å; S154-S173 VanDerWaalsContact O-OG 3.06Å
174G93.2Very high92.9Very high21 Ų2133.4 Ų33.422%0.21619%0.193CC..EExtended strand (participates in β ladder)trans162.5-161.3-178.900000113.3I122I122-G174 PolarHBondContact O-N 3.29Å
175T92.8Very high93.4Very high93 Ų9330.9 Ų30.957%0.57117%0.17SC*.  trans-74.6160.5169.960.50000110.7D177 A178 I179T175-D177 VanDerWaalsContact C-N 3.3Å; T175-D177 PolarHBondContact O-N 2.83Å; T175-A178 PolarHBondContact O-N 2.82Å; T175-A178 VanDerWaalsContact OG1-CB 3.27Å; T175-A178 WeakPolarHBondContact OG1-CB 3.38Å; T175-A178 PolarHBondContact OG1-N 3.09Å; T175-I179 WeakPolarHBondContact O-CD1 3.46Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.48Å; T175-I179 PolarHBondContact O-N 3.33Å
176A92.2Very high93.7Very high4 Ų430.2 Ų30.23%0.03317%0.166CC..Hα-helixtrans-56.1-44.8178.800000112.2C103 E107 I179 I180C103-A176 HydrophobicContact CB-CB 3.86Å; E107-A176 HydrophobicContact CG-CB 4.13Å; E107-A176 WeakPolarHBondContact OE1-CB 3.36Å; A176-I179 PolarHBondContact O-N 3.5Å; A176-I180 WeakPolarHBondContact O-CD1 3.34Å; A176-I180 WeakPolarHBondContact O-CG1 3.22Å; A176-I180 PolarHBondContact O-N 2.94Å
177D92.9Very high93.9Very high116 Ų11628.4 Ų28.462%0.6216%0.155SC*.Hα-helixtrans-64.3-43.1179.3-65.5-45.8000112.6T175 I179 I180 C181T175-D177 VanDerWaalsContact C-N 3.3Å; T175-D177 PolarHBondContact O-N 2.83Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.39Å; D177-I180 PolarHBondContact O-N 3.17Å; D177-C181 WeakPolarHBondContact O-CB 3.32Å; D177-C181 PolarHBondContact O-N 2.67Å; D177-C181 PolarHBondContact O-SG 2.86Å
178A94.7Very high93.9Very high10 Ų1031.7 Ų31.78%0.08317%0.172CC..Hα-helixtrans-61.4-42.2177.600000111.1T151 A153 T175 C182T151-A178 VanDerWaalsContact O-CB 3.3Å; T151-A178 WeakPolarHBondContact O-CB 3.29Å; A153-A178 HydrophobicContact CB-CB 4.07Å; T175-A178 PolarHBondContact O-N 2.82Å; T175-A178 VanDerWaalsContact OG1-CB 3.27Å; T175-A178 WeakPolarHBondContact OG1-CB 3.38Å; T175-A178 PolarHBondContact OG1-N 3.09Å; A178-C182 WeakPolarHBondContact O-CB 3.35Å; A178-C182 PolarHBondContact O-N 3.4Å
179I94.9Very high93.9Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-65.5-44.8177.3-66.4163.2000110.9I122 F124 I172 T175 A176 D177 C182 M183I122-I179 HydrophobicContact CB-CD1 3.86Å; I122-I179 HydrophobicContact CG2-CD1 3.91Å; F124-I179 HydrophobicContact CD2-CD1 3.94Å; F124-I179 HydrophobicContact CD2-CG1 4.5Å; F124-I179 HydrophobicContact CD2-CG2 3.52Å; F124-I179 HydrophobicContact CE2-CD1 3.97Å; F124-I179 HydrophobicContact CE2-CG2 3.71Å; I172-I179 HydrophobicContact CG2-CG1 4.24Å; T175-I179 WeakPolarHBondContact O-CD1 3.46Å; T175-I179 VanDerWaalsContact O-CG1 3.28Å; T175-I179 WeakPolarHBondContact O-CG1 3.48Å; T175-I179 PolarHBondContact O-N 3.33Å; A176-I179 PolarHBondContact O-N 3.5Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.39Å; I179-C182 PolarHBondContact O-N 2.96Å; I179-M183 HydrophobicContact CG2-CE 4.46Å; I179-M183 HydrophobicContact CG2-CG 4.24Å; I179-M183 WeakPolarHBondContact O-CB 3.45Å; I179-M183 VanDerWaalsContact O-CG 3.32Å; I179-M183 WeakPolarHBondContact O-CG 3.46Å; I179-M183 PolarHBondContact O-N 2.91Å
180I93.9Very high93.7Very high12 Ų1229.2 Ų29.26%0.06216%0.163CC..Hα-helixtrans-60.5-48179-69161.7000110.3N96 R100 C103 A176 D177 C182 M183 R184N96-I180 WeakPolarHBondContact OD1-CG2 3.22Å; R100-I180 HydrophobicContact CB-CD1 4.04Å; R100-I180 HydrophobicContact CG-CD1 4.02Å; C103-I180 HydrophobicContact CB-CD1 4.4Å; A176-I180 WeakPolarHBondContact O-CD1 3.34Å; A176-I180 WeakPolarHBondContact O-CG1 3.22Å; A176-I180 PolarHBondContact O-N 2.94Å; D177-I180 PolarHBondContact O-N 3.17Å; I180-C182 VanDerWaalsContact C-N 3.32Å; I180-C182 PolarHBondContact O-N 3.32Å; I180-M183 PolarHBondContact O-N 3.19Å; I180-R184 PolarHBondContact O-N 3.29Å; I180-R184 VanDerWaalsContact O-N 3.11Å
181C93.7Very high93.5Very high43 Ų4331.4 Ų31.429%0.29118%0.175SC..Hα-helixtrans-61.1-40.9176.4-76.20000112.2T151 D177 Q185T151-C181 HydrophobicContact CG2-CB 4.16Å; D177-C181 WeakPolarHBondContact O-CB 3.32Å; D177-C181 PolarHBondContact O-N 2.67Å; D177-C181 PolarHBondContact O-SG 2.86Å; C181-Q185 PolarHBondContact O-N 2.84Å
182C95Very high93.2Very high0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-64.8-47.2176.9-178.50000112.5T151 A153 I155 I172 A178 I179 I180 R184 Q185 I186T151-C182 HydrophobicContact CG2-CB 3.83Å; A153-C182 HydrophobicContact CB-CB 4.22Å; I155-C182 WeakPolarHBondContact CD1-SG 3.45Å; I172-C182 HydrophobicContact CG2-CB 4.44Å; A178-C182 WeakPolarHBondContact O-CB 3.35Å; A178-C182 PolarHBondContact O-N 3.4Å; I179-C182 PolarHBondContact O-N 2.96Å; I180-C182 VanDerWaalsContact C-N 3.32Å; I180-C182 PolarHBondContact O-N 3.32Å; C182-R184 VanDerWaalsContact C-N 3.3Å; C182-R184 PolarHBondContact O-N 3.49Å; C182-Q185 PolarHBondContact O-N 3.13Å; C182-Q185 VanDerWaalsContact O-N 3.14Å; C182-I186 WeakPolarHBondContact O-CG1 3.32Å; C182-I186 PolarHBondContact O-N 3.14Å
183M94.4Very high92.9Very high3 Ų337 Ų372%0.01520%0.2CC..Hα-helixtrans-59.4-40.9178.1-74.1-62-178.900111.8L45 F99 F124 I172 I179 I180 Q185 I186 C187L45-M183 HydrophobicContact CD2-CE 4.35Å; F99-M183 HydrophobicContact CD1-CG 4.12Å; F99-M183 HydrophobicContact CD2-CB 4.48Å; F99-M183 HydrophobicContact CD2-CG 4.5Å; F99-M183 HydrophobicContact CE1-CE 3.78Å; F99-M183 HydrophobicContact CE1-CG 4.07Å; F99-M183 HydrophobicContact CE1-SD 4.07Å; F99-M183 HydrophobicContact CE2-CG 4.47Å; F99-M183 HydrophobicContact CE2-SD 4.44Å; F99-M183 HydrophobicContact CG-CG 4.34Å; F99-M183 HydrophobicContact CZ-CE 4.11Å; F99-M183 HydrophobicContact CZ-CG 4.25Å; F99-M183 HydrophobicContact CZ-SD 3.92Å; F124-M183 HydrophobicContact CB-CE 3.92Å; F124-M183 HydrophobicContact CG-CE 4.35Å; I172-M183 HydrophobicContact CD1-CE 3.49Å; I172-M183 VanDerWaalsContact CD1-CE 3.49Å; I172-M183 HydrophobicContact CD1-SD 3.91Å; I179-M183 HydrophobicContact CG2-CE 4.46Å; I179-M183 HydrophobicContact CG2-CG 4.24Å; I179-M183 WeakPolarHBondContact O-CB 3.45Å; I179-M183 VanDerWaalsContact O-CG 3.32Å; I179-M183 WeakPolarHBondContact O-CG 3.46Å; I179-M183 PolarHBondContact O-N 2.91Å; I180-M183 PolarHBondContact O-N 3.19Å; M183-Q185 PolarHBondContact O-N 3.37Å; M183-I186 PolarHBondContact O-N 3.02Å; M183-C187 WeakPolarHBondContact O-CB 3.48Å; M183-C187 PolarHBondContact O-N 3.05Å; M183-C187 PolarHBondContact O-SG 3.15Å
184R93.7Very high92.4Very high97 Ų9740 Ų4037%0.36622%0.219SC..Hα-helixtrans-58.8-46.5175.2-175.1-174.463.578.7-0.5111.9I180 C182 C187 L188I180-R184 PolarHBondContact O-N 3.29Å; I180-R184 VanDerWaalsContact O-N 3.11Å; C182-R184 VanDerWaalsContact C-N 3.3Å; C182-R184 PolarHBondContact O-N 3.49Å; R184-C187 PolarHBondContact O-N 3.29Å; R184-L188 WeakPolarHBondContact O-CG 3.27Å; R184-L188 PolarHBondContact O-N 2.73Å
185Q93.9Very high92Very high45 Ų4542.1 Ų42.121%0.2123%0.229CC..Hα-helixtrans-65.9-43178.8-71.1-169.264.400112.2I147 C181 C182 M183 C187 L188 I189I147-Q185 HydrophobicContact CG1-CB 4.49Å; I147-Q185 HydrophobicContact CG2-CB 4.26Å; C181-Q185 PolarHBondContact O-N 2.84Å; C182-Q185 PolarHBondContact O-N 3.13Å; C182-Q185 VanDerWaalsContact O-N 3.14Å; M183-Q185 PolarHBondContact O-N 3.37Å; Q185-C187 VanDerWaalsContact C-N 3.34Å; Q185-C187 PolarHBondContact O-N 3.03Å; Q185-L188 PolarHBondContact O-N 2.82Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 3.05Å; Q185-I189 VanDerWaalsContact O-N 3.14Å
186I94.2Very high91.6Very high1 Ų145.6 Ų45.61%0.00524%0.236CC..Hα-helixtrans-60.8-44.5176.6-69.2171.3000110.6L126 L136 I172 C182 M183 L188 I189 L190L126-I186 HydrophobicContact CD2-CG2 3.74Å; L136-I186 HydrophobicContact CD1-CG1 4.32Å; L136-I186 HydrophobicContact CD1-CG2 3.88Å; I172-I186 HydrophobicContact CD1-CD1 3.49Å; I172-I186 VanDerWaalsContact CD1-CD1 3.49Å; I172-I186 HydrophobicContact CG1-CD1 4.42Å; C182-I186 WeakPolarHBondContact O-CG1 3.32Å; C182-I186 PolarHBondContact O-N 3.14Å; M183-I186 PolarHBondContact O-N 3.02Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.48Å; I186-I189 PolarHBondContact O-N 3.28Å; I186-L190 HydrophobicContact CG2-CD1 3.76Å; I186-L190 HydrophobicContact CG2-CG 4.08Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.29Å; I186-L190 PolarHBondContact O-N 3.49Å
187C92.8Very high91Very high4 Ų448.7 Ų48.73%0.02727%0.268CS..Hα-helixtrans-58.1-40.5177.4-69.90000112.1M183 R184 Q185 L190 L191M183-C187 WeakPolarHBondContact O-CB 3.48Å; M183-C187 PolarHBondContact O-N 3.05Å; M183-C187 PolarHBondContact O-SG 3.15Å; R184-C187 PolarHBondContact O-N 3.29Å; Q185-C187 VanDerWaalsContact C-N 3.34Å; Q185-C187 PolarHBondContact O-N 3.03Å; C187-L190 PolarHBondContact O-N 3.36Å; C187-L191 WeakPolarHBondContact O-CB 3.39Å; C187-L191 VanDerWaalsContact O-CG 3.31Å; C187-L191 WeakPolarHBondContact O-CG 3.35Å; C187-L191 PolarHBondContact O-N 2.87Å
188L92.3Very high90.4Very high78 Ų7847.8 Ų47.841%0.40828%0.277SS..Hα-helixtrans-63.6-43.3177-69.6168.5000112.1I92 R184 Q185 I186 L191 E192I92-L188 HydrophobicContact CD1-CD2 3.77Å; R184-L188 WeakPolarHBondContact O-CG 3.27Å; R184-L188 PolarHBondContact O-N 2.73Å; Q185-L188 PolarHBondContact O-N 2.82Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.48Å; L188-L191 PolarHBondContact O-N 2.92Å; L188-E192 WeakPolarHBondContact O-CB 3.12Å; L188-E192 PolarHBondContact O-N 3.36Å
189I92.6Very high89.7Confident18 Ų1850 Ų509%0.09229%0.29CS..Hα-helixtrans-69.3-37.7-179.7-64.4165.2000111.7I147 Q185 I186 L191 E192 S193I147-I189 HydrophobicContact CD1-CD1 3.36Å; I147-I189 HydrophobicContact CG1-CD1 4.22Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 3.05Å; Q185-I189 VanDerWaalsContact O-N 3.14Å; I186-I189 PolarHBondContact O-N 3.28Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 2.76Å; I189-E192 PolarHBondContact O-N 3.46Å; I189-S193 PolarHBondContact O-N 3Å; I189-S193 VanDerWaalsContact O-N 3.09Å; I189-S193 PolarHBondContact O-OG 2.78Å
190L91.3Very high89.3Confident7 Ų753.8 Ų53.84%0.03731%0.313CS..Hα-helixtrans-66.9-32.8176.3-67.1178.7000112I43 V128 Q132 I186 C187 S193I43-L190 HydrophobicContact CD1-CD1 3.86Å; V128-L190 HydrophobicContact CG1-CD2 3.83Å; Q132-L190 HydrophobicContact CB-CD2 3.85Å; Q132-L190 HydrophobicContact CG-CD2 4.45Å; Q132-L190 PolarHBondContact NE2-O 3.43Å; Q132-L190 VanDerWaalsContact NE2-O 3.12Å; I186-L190 HydrophobicContact CG2-CD1 3.76Å; I186-L190 HydrophobicContact CG2-CG 4.08Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.29Å; I186-L190 PolarHBondContact O-N 3.49Å; C187-L190 PolarHBondContact O-N 3.36Å; L190-S193 CarbonylContact O-C 3.47Å; L190-S193 VanDerWaalsContact O-O 3.14Å
191L89.6Confident88.9Confident47 Ų4756 Ų5625%0.24633%0.328CS..Hα-helixtrans-73-40173.6-78168.8000112.5V39 Q41 I92 C187 L188 I189 S193V39-L191 HydrophobicContact CB-CD2 4.13Å; V39-L191 HydrophobicContact CG1-CD2 3.42Å; V39-L191 VanDerWaalsContact CG1-CD2 3.42Å; Q41-L191 HydrophobicContact CB-CD2 4.12Å; Q41-L191 HydrophobicContact CB-CG 4.43Å; Q41-L191 HydrophobicContact CG-CD2 4.44Å; Q41-L191 HydrophobicContact CG-CG 4.43Å; I92-L191 HydrophobicContact CD1-CD1 3.37Å; I92-L191 HydrophobicContact CG1-CD1 3.43Å; I92-L191 VanDerWaalsContact CG1-CD1 3.43Å; C187-L191 WeakPolarHBondContact O-CB 3.39Å; C187-L191 VanDerWaalsContact O-CG 3.31Å; C187-L191 WeakPolarHBondContact O-CG 3.35Å; C187-L191 PolarHBondContact O-N 2.87Å; L188-L191 PolarHBondContact O-N 2.92Å; I189-L191 VanDerWaalsContact C-N 3.29Å; I189-L191 PolarHBondContact O-N 2.76Å; L191-S193 VanDerWaalsContact C-N 3.25Å; L191-S193 PolarHBondContact O-N 2.92Å
192E89.6Confident88.4Confident139 Ų13954.8 Ų54.865%0.6532%0.317SS*.Hα-helixtrans-62.9-34.3177.1-171.1-170.9176.500111.8K143 L188 I189K143-E192 IonicContact NZ-OE1 2.77Å; K143-E192 IonicContact NZ-OE2 3.99Å; K143-E192 PolarHBondContact NZ-OE2 3.45Å; K143-E192 VanDerWaalsContact NZ-OE2 3.13Å; L188-E192 WeakPolarHBondContact O-CB 3.12Å; L188-E192 PolarHBondContact O-N 3.36Å; I189-E192 PolarHBondContact O-N 3.46Å
193S88.1Confident87.7Confident19 Ų1964.2 Ų64.213%0.13335%0.353CS..SBendtrans-123.288.8-17759.80000111.6Q132 S135 I189 L190 L191Q132-S193 PolarHBondContact NE2-O 3.38Å; S135-S193 WeakPolarHBondContact CB-OG 3.39Å; S135-S193 WeakPolarHBondContact OG-CB 3.46Å; S135-S193 PolarHBondContact OG-OG 3.34Å; I189-S193 PolarHBondContact O-N 3Å; I189-S193 VanDerWaalsContact O-N 3.09Å; I189-S193 PolarHBondContact O-OG 2.78Å; L190-S193 CarbonylContact O-C 3.47Å; L190-S193 VanDerWaalsContact O-O 3.14Å; L191-S193 VanDerWaalsContact C-N 3.25Å; L191-S193 PolarHBondContact O-N 2.92Å
194P84.2Confident86.5Confident82 Ų8265.4 Ų65.453%0.53236%0.361SS..  trans-61.1154.8177.825.5-34.1000111.3K196P194-K196 PolarHBondContact O-N 3.37Å
195P84.8Confident85.3Confident66 Ų6666.2 Ų66.243%0.42937%0.371SS..  trans-61.4132.317827.6-33000109.8Q132 T199Q132-P195 HydrophobicContact CG-CB 4.04Å; P195-T199 HydrophobicContact CB-CG2 4.1Å
196K83.9Confident83.9Confident166 Ų16666.6 Ų66.672%0.72238%0.378SS*.  trans-104.7125.9179.4-63.8-178.2-179-179.90108.4T131 P194T131-K196 WeakPolarHBondContact CG2-O 3.08Å; T131-K196 PolarHBondContact OG1-N 3.1Å; P194-K196 PolarHBondContact O-N 3.37Å
197G80.3Confident82.1Confident69 Ų6971.5 Ų71.571%0.71141%0.412SS*.SBendtrans87.6-177.6178.700000114.3T199G197-T199 PolarHBondContact O-N 3.02Å
198A79.6Confident80.3Confident97 Ų9778.1 Ų78.180%0.80245%0.445SS*.  trans-70.8125.5-179.100000110.8
199T81.2Confident78.3Confident58 Ų5879.6 Ų79.636%0.35646%0.457SS..  trans-107.7125.517456.60000109.5P129 T166 P195 G197 P201P129-T199 HydrophobicContact CB-CG2 3.8Å; P129-T199 HydrophobicContact CG-CG2 4.18Å; T166-T199 WeakPolarHBondContact OG1-CA 3.17Å; P195-T199 HydrophobicContact CB-CG2 4.1Å; G197-T199 PolarHBondContact O-N 3.02Å; T199-P201 WeakPolarHBondContact O-CD 3.37Å
200V86.2Confident75.6Confident78 Ų7884.2 Ų84.247%0.47349%0.488SS..  trans-97.4107.5172.6-178.40000107.7S165 T166S165-V200 PolarHBondContact OG-O 2.86Å; T166-V200 HydrophobicContact CG2-CB 4.14Å; T166-V200 HydrophobicContact CG2-CG2 4.17Å; T166-V200 PolarHBondContact N-O 2.65Å; T166-V200 VanDerWaalsContact N-O 3.15Å; T166-V200 PolarHBondContact OG1-N 2.74Å
201P85Confident73.3Confident58 Ų5890.7 Ų90.738%0.37752%0.523SS..  trans-67.6136.7-176.427.4-33.9000110.9R44 E167 T199 R203R44-P201 VanDerWaalsContact NH1-CB 3.31Å; E167-P201 WeakPolarHBondContact OE2-CA 3.41Å; T199-P201 WeakPolarHBondContact O-CD 3.37Å; P201-R203 PolarHBondContact O-N 3.41Å
202Y84.2Confident71.2Confident19 Ų1995.8 Ų95.88%0.07555%0.549CS..  trans-61127173.8179.2-117.4000110.2R44 L46 I85 I127 L162 P163 S165 E167 P204R44-Y202 PolarHBondContact NH2-O 3.24Å; L46-Y202 HydrophobicContact CD1-CE1 4.05Å; L46-Y202 HydrophobicContact CD2-CE1 4.45Å; I85-Y202 HydrophobicContact CD1-CD1 3.94Å; I85-Y202 VanDerWaalsContact CD1-O 3.31Å; I85-Y202 WeakPolarHBondContact CD1-O 3.49Å; I127-Y202 HydrophobicContact CD1-CD1 4.27Å; L162-Y202 HydrophobicContact CB-CD2 3.61Å; L162-Y202 HydrophobicContact CB-CE2 4.04Å; L162-Y202 HydrophobicContact CB-CG 3.93Å; L162-Y202 HydrophobicContact CD1-CD1 3.84Å; L162-Y202 HydrophobicContact CD1-CD2 4.27Å; L162-Y202 HydrophobicContact CD1-CE1 4.43Å; L162-Y202 HydrophobicContact CD1-CG 3.73Å; L162-Y202 HydrophobicContact CG-CD2 4.44Å; L162-Y202 HydrophobicContact CG-CG 4.38Å; P163-Y202 HydrophobicContact CG-CE2 4.02Å; P163-Y202 WeakPolarHBondContact O-CD2 3.45Å; S165-Y202 WeakPolarHBondContact OG-CA 3.28Å; S165-Y202 PolarHBondContact OG-N 3.23Å; S165-Y202 VanDerWaalsContact OG-N 3.08Å; E167-Y202 WeakPolarHBondContact OE2-CB 3.48Å; E167-Y202 PolarHBondContact OE2-N 3.08Å; Y202-P204 HydrophobicContact CE1-CB 4.13Å
203R79Confident68.8Low198 Ų19897.3 Ų97.375%0.74756%0.561SS**  trans-120.4118.4168.4-64.6-168.6-178.1-129.33106.8P201 I205P201-R203 PolarHBondContact O-N 3.41Å; R203-I205 PolarHBondContact O-N 3.08Å; R203-I205 VanDerWaalsContact O-N 3.15Å
204P70.3Confident66.3Low27 Ų27102.8 Ų102.818%0.17560%0.598CS.*PPolyproline II helixtrans-63.8121.2178.227.4-32.4000107.7C81 Y202C81-P204 HydrophobicContact CB-CB 3.96Å; C81-P204 HydrophobicContact CB-CG 4.18Å; C81-P204 PolarHBondContact SG-O 2.82Å; C81-P204 VanDerWaalsContact SG-O 3.38Å; Y202-P204 HydrophobicContact CE1-CB 4.13Å
205I68.8Low64.1Low115 Ų115104.8 Ų104.859%0.5961%0.613SS**PPolyproline II helixtrans-72126.6176.2-57.4170.5000106.3R203 S207R203-I205 PolarHBondContact O-N 3.08Å; R203-I205 VanDerWaalsContact O-N 3.15Å; I205-S207 PolarHBondContact O-N 3.37Å
206P63.4Low61.9Low53 Ų53104.7 Ų104.734%0.34462%0.624SS.*PPolyproline II helixtrans-60125.4171.725.5-32000107.7C81 I208C81-P206 VanDerWaalsContact SG-CA 3.5Å; P206-I208 PolarHBondContact O-N 3.06Å
207S56.9Low59.8Low103 Ų103103.4 Ų103.472%0.7263%0.631SS**  trans-6576.6176.3-52.50000109.9I205 V209I205-S207 PolarHBondContact O-N 3.37Å; S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.33Å; S207-V209 VanDerWaalsContact O-N 3.12Å
208I55.6Low57.8Low143 Ų143105.6 Ų105.673%0.73364%0.635SS**  trans-76.194.5163.4-62172.3000104.7P206 P210P206-I208 PolarHBondContact O-N 3.06Å; I208-P210 VanDerWaalsContact O-CD 3.32Å; I208-P210 WeakPolarHBondContact O-CD 3.19Å
209V49.2Very low56Low109 Ų109106.9 Ų106.966%0.66164%0.638SS**  trans-60.4119.6161.7-95.90000108S207 N211S207-V209 VanDerWaalsContact C-N 3.32Å; S207-V209 PolarHBondContact O-N 3.33Å; S207-V209 VanDerWaalsContact O-N 3.12Å; V209-N211 PolarHBondContact O-N 3.16Å
210P37.3Very low54.1Low115 Ų115111.9 Ų111.975%0.74766%0.661SS**  trans-83.270.6164.334.6-27.4000107.6I208I208-P210 VanDerWaalsContact O-CD 3.32Å; I208-P210 WeakPolarHBondContact O-CD 3.19Å
211N42.4Very low51.9Low144 Ų144112.2 Ų112.277%0.7767%0.672SS**  trans-103.353.7168.3-87.226.3000109.5V209V209-N211 PolarHBondContact O-N 3.16Å
212I44.7Very low49.8Very low154 Ų154115.2 Ų115.279%0.7969%0.694SS**  trans-141.5127.2165.7-56.5179.3000105.8
213L39.8Very low47.9Very low170 Ų170119 Ų11989%0.8973%0.729SS**  trans98.366.2165.3-14276.3000118.4
214C36.6Very low46Very low135 Ų135116 Ų11691%0.91273%0.728SS**  trans-156.668.9140.7-163.90000110.6
215S36.8Very low44.8Very low123 Ų123121.8 Ų121.886%0.8675%0.753SS**SBendtrans-154.3119161.6500000107.2
216G37.7Very low43.3Very low64 Ų64124.7 Ų124.766%0.6676%0.762SS**  trans120.4114.4169.800000115
217T41.8Very low42.1Very low140 Ų140129.7 Ų129.786%0.85979%0.785SS**  trans94.2105.3145.276.10000116.7
218S38.2Very low41.6Very low114 Ų114130.9 Ų130.980%0.79779%0.788SS**  -173.189.1113.8490000110.6
219S40.7Very low41.1Very low124 Ų124129.6 Ų129.687%0.86779%0.789SS**  trans-113.795.5144.637.70000106.1
220I42Very low40.6Very low163 Ų163130.3 Ų130.384%0.83680%0.796SS**  trans-115.2107.3168.3-63.6174000105.8
221A40.3Very low40.4Very low86 Ų86133.8 Ų133.871%0.71181%0.805SS**  trans-105.7139.1164.800000108.4
222S40.2Very low40.3Very low120 Ų120135.7 Ų135.784%0.83981%0.809SS**  trans78.7113.5159.1-65.30000119.5
223A44.2Very low39.9Very low98 Ų98135.4 Ų135.481%0.8180%0.804SS**  119.692.9125.100000116.1
224N39.3Very low39.5Very low136 Ų136135.9 Ų135.973%0.72780%0.799SS**  86.1106.4122-135.710.6000119.6
225Q45.2Very low39.6Very low148 Ų148135.8 Ų135.869%0.69279%0.788SS**  trans81.2116.2130.9-96.1176.621.700121.3
226K37Very low39.7Very low177 Ų177141.8 Ų141.877%0.7779%0.794SS**  trans99.290.6141.2-68.7174.1-179173.50117.4
227N38.8Very low39.7Very low158 Ų158140.4 Ų140.485%0.84578%0.779SS**  95.6142.4128.6-145.8-1.4000117
228V45.2Very low39.9Very low128 Ų128140 Ų14078%0.77677%0.772SS**  trans91.2119.9-178.8-162.80000116.2
229P46.3Very low40Very low116 Ų116142 Ų14275%0.75377%0.773SS**  trans-83159.7-168.233.8-36.5000114.8
230P38Very low40.2Very low124 Ų124143.9 Ų143.981%0.80577%0.768SS**  trans-90134.3178.534.8-29.3000111.9
231M34.1Very low40.5Very low188 Ų188140.2 Ų140.293%0.92675%0.753SS**  trans-100.2100.6166.3-153.6-144-6500108.4
232Q39.2Very low40.8Very low183 Ų183142.2 Ų142.286%0.85575%0.748SS**  trans-115.2109.8164.1-117.2171.812.900105.8
233Q36Very low41.2Very low149 Ų149143.6 Ų143.670%0.69675%0.745SS**  trans168.7141.3147.3-94.3174.919.300108
234F32Very low41.5Very low180 Ų180142.7 Ų142.779%0.78974%0.738SS**  trans75.2114.2174-53-79000115.1
235I39.7Very low42Very low132 Ų132143.5 Ų143.568%0.67774%0.735SS**  177.590.4115.2-80.8150.6000106.7G237I235-G237 PolarHBondContact O-N 3.05Å
236Y37.5Very low41.6Very low250 Ų250143.8 Ų143.898%0.9874%0.738SS**THydrogen-bonded Turntrans-57.1109.4136.4-87.9-98.9000105.6
237G38.6Very low41.9Very low34 Ų34145.4 Ų145.435%0.35174%0.741SS.*THydrogen-bonded Turntrans169.4-10179.100000118.2I235 L239I235-G237 PolarHBondContact O-N 3.05Å; G237-L239 PolarHBondContact O-N 3.4Å
238N45Very low42.1Very low131 Ų131143.3 Ų143.370%0.70174%0.736SS**THydrogen-bonded Turntrans-93.919.2-172.1-92.7-31000117.1
239L41.7Very low41.8Very low157 Ų157142.2 Ų142.282%0.82273%0.732SS**THydrogen-bonded Turntrans-97.1-5.7168.2-116.2145.7000113.6G237G237-L239 PolarHBondContact O-N 3.4Å
240Q44.7Very low41.5Very low163 Ų163145.4 Ų145.476%0.76274%0.737SS**SBendtrans-89.4-8.7177.1-83.5152.7-4.400114
241T48.5Very low41.5Very low86 Ų86144.9 Ų144.953%0.52873%0.733SS.*SBendtrans-93.8-19.3-172.8-45.70000114.2
242E46.3Very low41.5Very low128 Ų128144 Ų14460%0.59873%0.732SS**SBendtrans-87.7-22.2177.9-95.6-67.6129.400113.8A244 K245E242-A244 VanDerWaalsContact C-N 3.3Å; E242-A244 PolarHBondContact O-N 3.38Å; E242-K245 IonicContact OE1-NZ 2.71Å; E242-K245 PolarHBondContact OE1-NZ 2.88Å
243L48.5Very low41.3Very low150 Ų150145.6 Ų145.679%0.78574%0.736SS**G310 helixtrans-76.6-14.4176-81.5166.3000113.9K245L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 3.35Å
244A49.2Very low41.5Very low79 Ų79147.1 Ų147.165%0.65374%0.743SS**G310 helixtrans-83.4-1.5-17800000114.5E242E242-A244 VanDerWaalsContact C-N 3.3Å; E242-A244 PolarHBondContact O-N 3.38Å
245K49.6Very low41.7Very low153 Ų153144.6 Ų144.667%0.66575%0.745SS**G310 helixtrans-91.3-2-176.4-70.4179.8-175.8166.40115.1E242 L243E242-K245 IonicContact OE1-NZ 2.71Å; E242-K245 PolarHBondContact OE1-NZ 2.88Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 3.35Å
246M38.7Very low41.7Very low153 Ų153146.1 Ų146.175%0.75475%0.752SS**SBendtrans-101.5-8.8-173-118.9-175.5-85.900116.6
247Y42.8Very low41.8Very low212 Ų212139.8 Ų139.883%0.83174%0.742SS**  trans-152109173.2-64.5-81.5000112.4
248P43.3Very low41.7Very low114 Ų114145 Ų14574%0.7477%0.767SS**  trans-89.312717531-27.4000112.8
249C38.4Very low41.4Very low104 Ų104148 Ų14870%0.70378%0.775SS**  trans63.3143.2147.6-600000117.7
250H38.7Very low41.3Very low184 Ų184147.1 Ų147.185%0.85277%0.77SS**  -149.2156.464.4-60.1-80.4000113.5
251P38.3Very low41.1Very low112 Ų112148.2 Ų148.273%0.72778%0.776SS**  trans-114.8137.8-160.436.1-21.3000114.3
252L34.7Very low40.6Very low171 Ų171150 Ų15090%0.89579%0.789SS**  trans-165.194.5152.2-85.9-168.4000109.3
253F35.4Very low40.2Very low215 Ų215148.5 Ų148.594%0.94380%0.798SS**  trans178129138.8-119.6-102.8000109.7
254Q39.4Very low39.9Very low181 Ų181150 Ų15085%0.84681%0.806SS**PPolyproline II helixtrans-84.7156.1-175.1-67.3-175.6-22.700112.4
255P36.5Very low39.4Very low127 Ų127149.6 Ų149.683%0.82581%0.81SS**PPolyproline II helixtrans-92.2151.6-17435.8-32000113.8
256I39.4Very low38.9Very low164 Ų164149 Ų14984%0.84182%0.821SS**PPolyproline II helixtrans-98137.7171.7-56.8171.6000108.8
257P40.5Very low38.9Very low118 Ų118145 Ų14577%0.76682%0.819SS**PPolyproline II helixtrans-84.8152.9-173.233.2-34000114.8
258T36.9Very low38.7Very low143 Ų143142.4 Ų142.488%0.87782%0.818SS**PPolyproline II helixtrans-59.6137.6178.8-44.30000114.2
259F38.4Very low38.5Very low195 Ų195145 Ų14586%0.85582%0.824SS**  trans-116.3137.8162.5-169.9-97.1000110.9
260N40.1Very low38.4Very low137 Ų137145.3 Ų145.373%0.73383%0.827SS**  trans-70.1139.9-172-1271.2000112.6
261Q39Very low38.3Very low187 Ų187141.9 Ų141.987%0.87482%0.822SS**  trans-85.4148.6166.6-77.6-176.6-33.800111.5
262P38.2Very low38.4Very low123 Ų123144.3 Ų144.380%0.79983%0.829SS**  trans-113.3143.2149.227.3-12.2000112
263A37.7Very low38.5Very low97 Ų97142.7 Ų142.780%0.80283%0.825SS**  trans-74.5137.3-17900000113.3
264L41.8Very low38.5Very low180 Ų180140.3 Ų140.394%0.94282%0.821SS**  trans-147.3139.2155-81177.5000110
265G39.8Very low38.3Very low71 Ų71134.4 Ų134.473%0.73281%0.809SS**  trans-76.2-174.8-163.700000117.6
266P39Very low38Very low140 Ų140137 Ų13791%0.90981%0.812SS**  trans-94144.2-158.235.9-32.2000113.4
267G37.6Very low37.9Very low69 Ų69137.3 Ų137.371%0.71181%0.814SS**  trans-168.5100173.500000112.4
268I40.6Very low37.5Very low158 Ų158136.3 Ų136.381%0.8181%0.809SS**  trans33.1117.8141.9-37.4-175.1000117.4
269I37.6Very low37.5Very low168 Ų168135.8 Ų135.886%0.86281%0.808SS**  174133.8121.3-81.7151.3000109.8
270S36.6Very low37.2Very low111 Ų111134 Ų13478%0.77681%0.807SS**  trans-70.8170.5-170.3-64.80000116
271P37.6Very low37Very low112 Ų112131.5 Ų131.573%0.72781%0.806SS**  trans-102151.8-15038.7-32.5000114.3
272N38.6Very low36.8Very low164 Ų164133.7 Ų133.788%0.87781%0.808SS**  trans-177.2148.7145.3-100.4-36.9000109.7
273V37.1Very low36.6Very low136 Ų136137 Ų13782%0.82481%0.81SS**  trans86.797.3176.8-169.20000115.3
274I36.7Very low36.1Very low166 Ų166141.2 Ų141.285%0.85181%0.813SS**  trans174.1110.6140.4-86.5143.8000103.1
275G33.5Very low35.8Very low57 Ų57139.8 Ų139.859%0.58881%0.807SS**  cis97.893.647.900000107.1
276M31Very low35.6Very low181 Ų181145.4 Ų145.489%0.89281%0.814SS**  trans27.4113.4154-56.4-168.572.500117.8
277I37.2Very low35.2Very low171 Ų171146.8 Ų146.888%0.87781%0.813SS**  trans-160125.4141-83.3124.4000107.8
278S32.6Very low35.1Very low97 Ų97151.2 Ų151.268%0.67882%0.82SS**  trans-68.1148.7172-50.70000112.1
279P37.8Very low34.8Very low131 Ų131151.7 Ų151.785%0.85182%0.822SS**  trans-100.876.4166.435.9-25.1000110.3
280D31.3Very low34.6Very low157 Ų157152.1 Ų152.184%0.8483%0.826SS**  trans-120.484.8165.3-83.4-34000108.5
281A35.3Very low34.4Very low85 Ų85152.6 Ų152.670%0.70283%0.829SS**  trans179.6104159.400000107.7
282Y35Very low34.3Very low233 Ų233150.7 Ų150.791%0.91483%0.829SS**SBendtrans-170.4127.4139.8-98.8-71.1000108.1
283F34Very low34.1Very low192 Ų192151.4 Ų151.484%0.84283%0.832SS**  trans84.864.9178.8-77.1-89.4000118.4
284Q28.1Very low34.1Very low187 Ų187148.7 Ų148.787%0.87482%0.824SS**  trans-85.6121.2131.2-82.5-175.8-8.200108.8
285N35.5Very low34.1Very low150 Ų150149 Ų14980%0.80283%0.827SS**  trans-174.3138.9147.3-103.8-10.6000107.1
286E34.5Very low34.2Very low189 Ų189150 Ų15088%0.88384%0.838SS**  trans96.367-173.5-60.8-77.9143.900115.7
287L32.2Very low34.4Very low169 Ų169149.2 Ų149.289%0.88584%0.837SS**  trans-162.987.7145.3-112.4165.7000108.4
288N33.5Very low34.4Very low162 Ų162147 Ų14787%0.86683%0.833SS**  trans-171.573.2162.2-111.8-1.9000112.1
289I36.1Very low34.2Very low168 Ų168151.7 Ų151.786%0.86284%0.841SS**  trans-145.977.8151.7-51.4-177.1000108.4
290L33.5Very low34.1Very low177 Ų177150.7 Ų150.793%0.92784%0.835SS**  trans-141.782161.7-89.5175000108.4
291S31.5Very low34.2Very low120 Ų120149.1 Ų149.184%0.83983%0.831SS**  trans-167.1125152.866.30000109.6
292G34.7Very low34.1Very low72 Ų72150 Ų15074%0.74283%0.828SS**  trans109.195.1169.300000112.4
293L35.3Very low34Very low180 Ų180147.3 Ų147.394%0.94282%0.824SS**  -178.6103.3108.1-88.9162.6000107.8
294A37.6Very low34Very low78 Ų78146.8 Ų146.865%0.64582%0.824SS**  trans-75.3156.3161.200000109.7
295N36.8Very low34.2Very low172 Ų172142.9 Ų142.992%0.9282%0.824SS**  trans95.2117.2163.8-51.9-31.1000117.1
296G34.5Very low34.1Very low79 Ų79139.3 Ų139.381%0.81482%0.822SS**  trans147.773.5158.500000116
297L34.6Very low34.3Very low165 Ų165135.5 Ų135.586%0.86482%0.816SS**  trans-56.2161.3155.7-10985.9000110.7
298P37.5Very low34.4Very low123 Ų123132.7 Ų132.780%0.79981%0.81SS**  cis-150170.148.135-11000118.5
299K29.8Very low34.4Very low196 Ų196129.7 Ų129.785%0.85281%0.808SS**  trans-79.3164.5167.2-86.2-179171.6179.20111.7
300P34.7Very low34.3Very low110 Ų110127 Ų12771%0.71481%0.811SS**  -153.6153.191.738.4-18000118.2
301T34.4Very low34.2Very low124 Ų124121.7 Ų121.776%0.76180%0.799SS**  trans54.4153.8137.859.20000122.5
302T32Very low34.3Very low103 Ų103120.9 Ų120.963%0.63280%0.8SS**  cis176.8147.9-20.9-73.60000104.7
303E34.3Very low34.6Very low178 Ų178123.7 Ų123.783%0.83280%0.803SS**  trans91.4144150.5-91.9156.7-153.500125
304E33.9Very low35.2Very low181 Ų181121.9 Ų121.985%0.84679%0.794SS**  trans81.699.1168.8-55.2-145.914000118.4
305A31.8Very low35.8Very low105 Ų105126 Ų12687%0.86880%0.8SS**  68.7112.864.800000114.2
306G33.5Very low36.3Very low74 Ų74125.9 Ų125.976%0.76379%0.794SS**  trans168.673175.400000116.5
307S37.5Very low37.2Very low110 Ų110127.4 Ų127.477%0.76979%0.787SS**  trans28.8129.4145.965.30000123.8
308S34.1Very low37.9Very low109 Ų109124.8 Ų124.876%0.76277%0.774SS**  88.7115.7121.870.90000122.9
309A33.8Very low38.7Very low99 Ų99125.6 Ų125.682%0.81877%0.767SS**  99.3135.4121.500000121.5
310A34.4Very low39.9Very low112 Ų112123.2 Ų123.293%0.92676%0.757SS**  trans77133.2166.200000117.7
311G31.2Very low40.7Very low66 Ų66121.1 Ų121.168%0.6874%0.735SS**  cis-179.3126.1-2.700000106.4
312A33.2Very low41.9Very low102 Ų102119.6 Ų119.684%0.84373%0.726SS**  49.788.410700000115.9
313T42.2Very low43Very low131 Ų131119.8 Ų119.880%0.80472%0.719SS**  trans-176.182.8145.449.90000111
314D48.4Very low44.1Very low142 Ų142115 Ų11576%0.75970%0.7SS**  trans-142.15174.2-83.9-39.4000115.5
315E48.6Very low45.3Very low166 Ų166110.8 Ų110.878%0.77668%0.683SS**SBendtrans-92.3-22.1-178.7-83.2179.9143.400114.7
316E48.4Very low46.4Very low168 Ų168110.6 Ų110.679%0.78567%0.666SS**Hα-helixtrans-81.1-30.7-173.5-148.8171.9179.600112.8N318 Q319 K320E316-N318 VanDerWaalsContact C-N 3.33Å; E316-N318 PolarHBondContact O-N 3.28Å; E316-Q319 PolarHBondContact O-N 3.45Å; E316-K320 PolarHBondContact O-N 2.94Å
317T54.1Low47.3Very low111 Ų111111 Ų11168%0.68165%0.651SS**Hα-helixtrans-69.2-30.2177.5-47.30000112.4Y321T317-Y321 PolarHBondContact O-N 3.42Å
318N48.2Very low48.2Very low111 Ų111110.2 Ų110.259%0.59464%0.637SS**Hα-helixtrans-75.1-32.2177.4-100.9-29.7000112.5E316 Y321 V322E316-N318 VanDerWaalsContact C-N 3.33Å; E316-N318 PolarHBondContact O-N 3.28Å; N318-Y321 PolarHBondContact O-N 3.35Å; N318-V322 WeakPolarHBondContact O-CG2 3.49Å; N318-V322 PolarHBondContact O-N 3.49Å
319Q53.7Low48.9Very low139 Ų139109.5 Ų109.565%0.6563%0.632SS**Hα-helixtrans-69.9-37.1176.8-68.9-179.111.500112E316 Y321 V322 Q323E316-Q319 PolarHBondContact O-N 3.45Å; Q319-Y321 VanDerWaalsContact C-N 3.33Å; Q319-Y321 PolarHBondContact O-N 3.46Å; Q319-V322 PolarHBondContact O-N 2.96Å; Q319-Q323 WeakPolarHBondContact O-CB 3.27Å; Q319-Q323 PolarHBondContact O-N 2.92Å
320K55.5Low49.3Very low146 Ų146112 Ų11264%0.63563%0.627SS**Hα-helixtrans-64.5-37.1174.4-167.5166.1179.7178.60112.3E316 Q323 D324E316-K320 PolarHBondContact O-N 2.94Å; K320-Q323 PolarHBondContact O-N 3.24Å; K320-D324 WeakPolarHBondContact O-CB 3.22Å; K320-D324 PolarHBondContact O-N 3.19Å
321Y52.1Low49.8Very low66 Ų66112 Ų11226%0.25962%0.619SS.*Hα-helixtrans-66.7-38176.6-173.3-118.7000113.1T317 N318 Q319 L325T317-Y321 PolarHBondContact O-N 3.42Å; N318-Y321 PolarHBondContact O-N 3.35Å; Q319-Y321 VanDerWaalsContact C-N 3.33Å; Q319-Y321 PolarHBondContact O-N 3.46Å; Y321-L325 HydrophobicContact CD1-CD1 4.04Å; Y321-L325 HydrophobicContact CE1-CD1 3.72Å; Y321-L325 HydrophobicContact CE2-CD1 4.31Å; Y321-L325 VanDerWaalsContact O-CG 3.29Å; Y321-L325 WeakPolarHBondContact O-CG 3.28Å; Y321-L325 PolarHBondContact O-N 3.21Å
322V59.4Low50.2Low93 Ų93116.5 Ų116.556%0.56462%0.624SS**Hα-helixtrans-70.1-38.5175.5176.30000111N318 Q319 L325 L326N318-V322 WeakPolarHBondContact O-CG2 3.49Å; N318-V322 PolarHBondContact O-N 3.49Å; Q319-V322 PolarHBondContact O-N 2.96Å; V322-L325 PolarHBondContact O-N 3.07Å; V322-L326 PolarHBondContact O-N 3.05Å; V322-L326 VanDerWaalsContact O-N 3.12Å
323Q54.9Low50.3Low106 Ų106115 Ų11550%0.49562%0.619SS.*Hα-helixtrans-67.5-39.9178-162.965.338.900112.4Q319 K320 L325 L326 N327Q319-Q323 WeakPolarHBondContact O-CB 3.27Å; Q319-Q323 PolarHBondContact O-N 2.92Å; K320-Q323 PolarHBondContact O-N 3.24Å; Q323-L325 VanDerWaalsContact C-N 3.34Å; Q323-L326 PolarHBondContact O-N 3.19Å; Q323-N327 PolarHBondContact O-N 3.31Å; Q323-N327 VanDerWaalsContact O-N 3.16Å
324D56.9Low49.8Very low78 Ų78115.9 Ų115.942%0.41762%0.619SS.*Hα-helixtrans-67.8-34.1176.3-73-21.8000112K320 L326 I328K320-D324 WeakPolarHBondContact O-CB 3.22Å; K320-D324 PolarHBondContact O-N 3.19Å; D324-L326 VanDerWaalsContact C-N 3.34Å; D324-I328 WeakPolarHBondContact O-CD1 3.41Å; D324-I328 VanDerWaalsContact O-CG1 3.31Å; D324-I328 WeakPolarHBondContact O-CG1 3.28Å; D324-I328 PolarHBondContact O-N 3.12Å
325L59.4Low49.2Very low93 Ų93115.3 Ų115.349%0.48762%0.623SS.*Hα-helixtrans-69-30.3173.7-74.9171.2000112.8Y321 V322 Q323Y321-L325 HydrophobicContact CD1-CD1 4.04Å; Y321-L325 HydrophobicContact CE1-CD1 3.72Å; Y321-L325 HydrophobicContact CE2-CD1 4.31Å; Y321-L325 VanDerWaalsContact O-CG 3.29Å; Y321-L325 WeakPolarHBondContact O-CG 3.28Å; Y321-L325 PolarHBondContact O-N 3.21Å; V322-L325 PolarHBondContact O-N 3.07Å; Q323-L325 VanDerWaalsContact C-N 3.34Å
326L54.8Low48.5Very low101 Ų101112.8 Ų112.853%0.52962%0.618SS.*Hα-helixtrans-77.2-32.7179-152.873.4000112.4V322 Q323 D324V322-L326 PolarHBondContact O-N 3.05Å; V322-L326 VanDerWaalsContact O-N 3.12Å; Q323-L326 PolarHBondContact O-N 3.19Å; D324-L326 VanDerWaalsContact C-N 3.34Å
327N52.7Low47.8Very low83 Ų83111 Ų11144%0.44462%0.619SS.*Hα-helixtrans-74.1-26.7177.7-76.7-14.8000113.3Q323 S329Q323-N327 PolarHBondContact O-N 3.31Å; Q323-N327 VanDerWaalsContact O-N 3.16Å; N327-S329 VanDerWaalsContact C-N 3.33Å
328I55.5Low46.9Very low93 Ų93110.7 Ų110.748%0.47763%0.628SS.*Hα-helixtrans-74.1-25.1177.5-66.3165.2000111.9D324 Q330D324-I328 WeakPolarHBondContact O-CD1 3.41Å; D324-I328 VanDerWaalsContact O-CG1 3.31Å; D324-I328 WeakPolarHBondContact O-CG1 3.28Å; D324-I328 PolarHBondContact O-N 3.12Å; I328-Q330 VanDerWaalsContact C-N 3.27Å; I328-Q330 PolarHBondContact O-N 2.85Å
329S49Very low46.3Very low94 Ų94111.9 Ų111.966%0.65764%0.639SS**THydrogen-bonded Turntrans-75.2-12.2179.2-166.50000113.9N327N327-S329 VanDerWaalsContact C-N 3.33Å
330Q43.7Very low45.3Very low152 Ų152113.7 Ų113.771%0.7165%0.648SS**THydrogen-bonded Turntrans-92.9-7.5-177.3-64.7-175.210.700113.8I328I328-Q330 VanDerWaalsContact C-N 3.27Å; I328-Q330 PolarHBondContact O-N 2.85Å
331C43.1Very low44.4Very low112 Ų112111.1 Ų111.176%0.75765%0.648SS**SBendtrans-95.14.2178.7-61.30000114.1
332M39.8Very low43.7Very low160 Ų160113.8 Ų113.879%0.78868%0.676SS**  trans-105.573.5177.8-66.8-75.5-70.600109.8
333G35.7Very low42.4Very low71 Ų71118.1 Ų118.173%0.73269%0.69SS**  trans-74.8122.3170.200000111.2
334N32.4Very low41.4Very low149 Ų149120.4 Ų120.480%0.79770%0.703SS**  trans-56.6138.3177.1-61.8-43.2000112.9
335P34.5Very low40.3Very low130 Ų130122.9 Ų122.984%0.84471%0.712SS**  trans-110.8101.7154.433.1-20000109.4
336T35.2Very low39Very low112 Ų112126.3 Ų126.369%0.68773%0.725SS**  trans-116.7114.9169.5-44.30000108.6
337T33Very low38.1Very low131 Ų131126 Ų12680%0.80473%0.732SS**  trans59.4112.7150.657.40000120.2
338A34.8Very low37.2Very low105 Ų105129.1 Ų129.187%0.86875%0.748SS**  trans-158.7114.9134.700000110.1
339V35.4Very low36.2Very low135 Ų135130.1 Ų130.182%0.81876%0.759SS**  trans-94.1161.5168.2177.20000107.2
340E34.1Very low35.3Very low178 Ų178130.2 Ų130.283%0.83276%0.76SS**  trans85.3140176.5-64.5-177.38900116
341S35.5Very low34.7Very low92 Ų92130.6 Ų130.664%0.64376%0.761SS**  cis-172.4148.2-9.7-93.30000106.5
342S37.3Very low34.1Very low122 Ų122133.2 Ų133.285%0.85376%0.76SS**  trans75.2128147.2-58.60000122.3
343Q31.8Very low33.8Very low183 Ų183130.9 Ų130.986%0.85576%0.755SS**  trans-54.3146.6168-61.3159.65.300113.8
344M34.5Very low33.7Very low155 Ų155133.6 Ų133.676%0.76476%0.76SS**  168.1123.4106.7-102.1-177.7104.200112.1
345Q33.2Very low34Very low130 Ų130132.3 Ų132.361%0.60776%0.762SS**  trans53.4121.8131.3-114.1113.110.600122.4
346Q32.3Very low33.8Very low164 Ų164133.8 Ų133.877%0.76676%0.763SS**  60.1125.9127.2-72.6170.514.500117.1
347S35.8Very low34.1Very low95 Ų95135.6 Ų135.666%0.66477%0.774SS**  cis172.8157.545.743.40000108.9
348N35.4Very low34.2Very low148 Ų148136.7 Ų136.779%0.79177%0.77SS**  trans61.6147.4146-68.6-18.4000119.7
349V32.7Very low34.4Very low114 Ų114137.6 Ų137.669%0.69176%0.76SS**  cis-179.2145.6-18.5128.50000102.5
350S31.3Very low34.5Very low97 Ų97139.3 Ų139.368%0.67876%0.759SS**  trans64.6146.3162.749.30000118.3
351Q30.8Very low34.7Very low160 Ų160134.9 Ų134.975%0.74875%0.748SS**  cis-176171.30.3-108.4172.3-6.100106.3
352F31.2Very low34.8Very low166 Ų166138.4 Ų138.473%0.72876%0.759SS**  trans91.996.9151.2-81.9-74.9000121.3
353T33.3Very low35Very low111 Ų111135.8 Ų135.868%0.68175%0.751SS**  57.3134.7127.556.10000122.9
354P33Very low35.7Very low129 Ų129134.5 Ų134.584%0.83875%0.749SS**  trans-98.7151.2169.337.6-28.6000113.1
355S38.5Very low36.1Very low121 Ų121133.8 Ų133.885%0.84675%0.749SS**  trans-121.1137175-55.80000111.2
356N31.4Very low36.6Very low161 Ų161133.6 Ų133.686%0.86176%0.757SS**  trans-53.6155.3179.6-70.1-48.2000116.2
357T39.8Very low37.1Very low151 Ų151131 Ų13193%0.92675%0.753SS**  trans-147159.7139.937.50000111.2
358H35.2Very low37.4Very low154 Ų154133.8 Ų133.871%0.71376%0.755SS**  trans-128.7172.3-139-179.9-55.2000111.1
359L40.3Very low37.4Very low124 Ų124134.5 Ų134.565%0.64975%0.753SS**  trans83.9140.8162.9-76.198000114.3
360E36.6Very low37.6Very low170 Ų170134 Ų13479%0.79476%0.761SS**  cis-160.4165.718.9-137.2156.8111.700113.1
361S38.4Very low37.9Very low86 Ų86133.5 Ų133.560%0.60176%0.763SS**  trans-80.3161.8-163.549.40000118
362N38.4Very low38.2Very low165 Ų165133.5 Ų133.588%0.88277%0.765SS**  179.4131.3118.3-88.1-30.3000114.2
363G40.6Very low38.6Very low67 Ų67132 Ų13269%0.69176%0.764SS**  trans11077.4134.300000122
364L47.1Very low38.8Very low156 Ų156132.3 Ų132.382%0.81777%0.766SS**  60.1110.7122.1-79.3155.2000121.8
365N42.4Very low39.3Very low141 Ų141130.5 Ų130.575%0.75476%0.762SS**  161.298.8109-72.8-26.1000114
366T43.4Very low39.5Very low126 Ų126130.5 Ų130.577%0.77376%0.759SS**  trans19124.8138.2-3.50000121.2
367T44.4Very low39.6Very low110 Ų110131.5 Ų131.568%0.67576%0.763SS**  171.2115.696.9-63.40000111
368E41.2Very low39.3Very low152 Ų152130.7 Ų130.771%0.7176%0.758SS**  trans40.4147.2137.5-57.4-174.1119.400121.4
369Q35.3Very low39.2Very low163 Ų163126.8 Ų126.876%0.76275%0.752SS**  cis-176.4139.5-4.3-106.1179.428.500103.5
370A38.1Very low38.7Very low103 Ų103129.5 Ų129.585%0.85176%0.762SS**  trans156.990.1138.700000109.6
371A36.3Very low38.6Very low88 Ų88129.5 Ų129.573%0.72777%0.766SS**  trans-62.9165.8163.200000110
372M38.4Very low38.3Very low160 Ų160134.2 Ų134.279%0.78878%0.779SS**  -179.3147.862.5-12116089.700110.8
373L38.9Very low38.2Very low135 Ų135131.5 Ų131.571%0.70778%0.779SS**  trans86.497.3143.4-68.8158.8000120.9
374T38.1Very low38Very low116 Ų116131.7 Ų131.771%0.71278%0.781SS**  89.495.7110-50.10000120.2
375A43.2Very low37.4Very low92 Ų92131.4 Ų131.476%0.7678%0.78SS**  59.1140.1124.600000122.1
376P41.1Very low37.1Very low121 Ų121131.5 Ų131.579%0.78678%0.779SS**  trans-96.8158.3-173.439-33.4000113.6
377L35.3Very low36.6Very low181 Ų181132.6 Ų132.695%0.94878%0.778SS**  trans-138.5124.9163.2-154.682.5000111.5
378V32.7Very low36Very low135 Ų135136 Ų13682%0.81879%0.785SS**  trans-79.7138.1174170.80000109.7
379A32.1Very low35.5Very low72 Ų72137.6 Ų137.660%0.59579%0.79SS**  147.4135.7127.100000114
380Q30.2Very low35.4Very low181 Ų181135.3 Ų135.385%0.84679%0.787SS**  trans62.9110.8151.1-80155.5-73.200118.5
381L35.1Very low35Very low169 Ų169140.3 Ų140.389%0.88579%0.79SS**  -158.6141.8126.2-100.1162.4000110.6
382Q31.9Very low34.8Very low186 Ų186143.6 Ų143.687%0.86979%0.792SS**  trans-68.4143.4-172.6-62.3152.6-72.900111.7
383A36.1Very low34.7Very low107 Ų107144.1 Ų144.188%0.88480%0.798SS**  trans-136.2101.3164.200000110.1
384G36.3Very low34.5Very low71 Ų71142.6 Ų142.673%0.73280%0.799SS**  trans-97.3144.4154.800000109.5
385N35.5Very low34.4Very low151 Ų151144.7 Ų144.781%0.80780%0.804SS**  trans76.7125.5149.9-99.624.3000121.3
386I35.9Very low34.2Very low142 Ų142147.2 Ų147.273%0.72880%0.804SS**  trans9094.5142.3-54.9155.1000116.7
387M32.6Very low34.2Very low150 Ų150148.6 Ų148.674%0.73981%0.805SS**  172.6128.3103.2-90.2-129.5-80.800112.4F389M387-F389 HydrophobicContact CE-CE2 4.46Å; M387-F389 PolarHBondContact O-N 3.23Å
388H30.9Very low34.5Very low181 Ų181144.9 Ų144.984%0.83879%0.791SS**  trans-39123.4151.5-106.5-127.3000110.6
389F31.5Very low34.8Very low186 Ų186145.6 Ų145.682%0.81679%0.789SS**  trans-121129.2160-112.3-94.7000110.9M387M387-F389 HydrophobicContact CE-CE2 4.46Å; M387-F389 PolarHBondContact O-N 3.23Å
390V34.3Very low35.1Very low115 Ų115149.7 Ų149.770%0.69780%0.8SS**  trans-73.9141.3-167.9167.80000110.3M392V390-M392 PolarHBondContact O-N 3.36Å
391K28.5Very low35.5Very low207 Ų207145 Ų14590%0.979%0.792SS**  trans-61.6110.8167.1-176.3166.8-177.2156.20110
392M31.6Very low35.9Very low158 Ų158142.8 Ų142.878%0.77879%0.786SS**  trans-155.9105.5165.4-98.7-78.9176.900106.6V390V390-M392 PolarHBondContact O-N 3.36Å
393D36.3Very low36.4Very low171 Ų171142.6 Ų142.691%0.91479%0.785SS**  trans-155.186.5154.3-86.4-41000107.3
394S36Very low36.5Very low103 Ų103143.2 Ų143.272%0.7278%0.78SS**  trans-124.2152.1154.9-70.30000105.7
395I35.4Very low36.9Very low160 Ų160148.7 Ų148.782%0.82179%0.791SS**  trans95.696.6178.5-39.3152.1000113.9
396L38.9Very low37Very low145 Ų145148.8 Ų148.876%0.75979%0.791SS**  171.6111.7112.7-114.6101.4000110.6
397N40.4Very low37.4Very low150 Ų150148.8 Ų148.880%0.80280%0.797SS**  -176.2141.4111.1-98.5-18.2000112.7
398P41.7Very low37.6Very low103 Ų103145.9 Ų145.967%0.66979%0.79SS**  trans-112.7-169.6-16532.8-12.8000113.2
399I39.5Very low38.2Very low150 Ų150145.1 Ų145.177%0.76979%0.791SS**  trans104.294.6163.5-51.8157.7000114.4
400L38.8Very low38.9Very low157 Ų157139.9 Ų139.982%0.82278%0.782SS**  172.2117.595-161.260.1000112
401A39Very low39Very low82 Ų82140.5 Ų140.568%0.67879%0.788SS**  trans64.4125.1142.500000122.9
402T41.8Very low39.7Very low124 Ų124140 Ų14076%0.76179%0.787SS**  123.2103.3122.4-5.80000117.5
403Q44.1Very low39.9Very low181 Ų181140.5 Ų140.585%0.84679%0.792SS**  trans91.2115.7150.2-50.6-150.46.200120.6
404P36.7Very low40Very low120 Ų120136 Ų13678%0.77979%0.787SS**  trans-105147.6175.637.8-27.8000112.9
405L45Very low40.3Very low186 Ų186138.6 Ų138.697%0.97479%0.791SS**  trans-132.8133.5148.2-81.9-178.2000110.8
406L37.9Very low40.5Very low153 Ų153134.7 Ų134.780%0.80179%0.791SS**  trans-81.2136-165-178.885.7000112.5
407V44.4Very low40.4Very low142 Ų142135.3 Ų135.386%0.86179%0.788SS**  -165.6127.7128.7-166.50000109.9
408P37.8Very low40.5Very low90 Ų90137 Ų13758%0.58479%0.791SS**  trans-107.2157.1171.937.3-27000112.8
409L41.9Very low40.3Very low164 Ų164139.2 Ų139.286%0.85979%0.79SS**  153.6135.3127-83.4155.4000116.1
410A46.5Very low40.5Very low76 Ų76139.8 Ų139.863%0.62879%0.794SS**  trans83.6127.9140.900000121.8
411P36.9Very low41.1Very low128 Ų128136.9 Ų136.983%0.83179%0.785SS**  trans-94.5144.8161.536.2-27000111.1
412F43.5Very low41.3Very low198 Ų198141.8 Ų141.887%0.86879%0.794SS**  trans-123.7119.2174.8-104.5-86.3000111.2
413N34.6Very low41.4Very low167 Ų167139.1 Ų139.189%0.89379%0.785SS**  trans-85.7140149.7-93.8-3.2000107.9
414G40.3Very low41.5Very low77 Ų77137.7 Ų137.779%0.79478%0.777SS**  trans-152.8127.6178.200000112.2
415L41.6Very low41.8Very low157 Ų157140.6 Ų140.682%0.82278%0.778SS**  trans-72.9165.4-170.3-70.5141000115.4F417L415-F417 HydrophobicContact CB-CD2 4.5Å; L415-F417 HydrophobicContact CB-CE2 4.05Å; L415-F417 HydrophobicContact CD1-CE2 4.44Å; L415-F417 HydrophobicContact CD2-CE2 4.09Å; L415-F417 HydrophobicContact CD2-CZ 4.16Å; L415-F417 HydrophobicContact CG-CE2 4.43Å
416G38.5Very low41.6Very low78 Ų78136.4 Ų136.480%0.80476%0.764SS**  trans-166.8111.1158.800000112.4
417F37.5Very low42.1Very low158 Ų158134.8 Ų134.869%0.69376%0.76SS**  trans-83.5154.9-169-67.4-103.5000114.8L415L415-F417 HydrophobicContact CB-CD2 4.5Å; L415-F417 HydrophobicContact CB-CE2 4.05Å; L415-F417 HydrophobicContact CD1-CE2 4.44Å; L415-F417 HydrophobicContact CD2-CE2 4.09Å; L415-F417 HydrophobicContact CD2-CZ 4.16Å; L415-F417 HydrophobicContact CG-CE2 4.43Å
418H43.5Very low42Very low187 Ų187134.4 Ų134.487%0.86676%0.759SS**  trans-149.6147.1135.5-155.668.8000111.4
419F36.4Very low42.2Very low148 Ų148133 Ų13365%0.64976%0.76SS**  trans-110.3150.6-157.4-129.3-105.9000110.5P421F419-P421 HydrophobicContact CD1-CG 4.1Å; F419-P421 HydrophobicContact CE1-CG 4.06Å
420D44.2Very low42.3Very low163 Ų163132.1 Ų132.187%0.87276%0.762SS**  trans-167123.4144.5-92.4-28.7000109.3
421P50.8Low42.2Very low96 Ų96132.9 Ų132.962%0.62377%0.768SS**  trans-125.2174.7173.538-22.8000114.1F419F419-P421 HydrophobicContact CD1-CG 4.1Å; F419-P421 HydrophobicContact CE1-CG 4.06Å
422E42.9Very low42.5Very low184 Ų184131.3 Ų131.386%0.8677%0.766SS**  trans101.5136.5169.3-64.3-155.4140.700117.1
423A43.7Very low42.6Very low69 Ų69126.6 Ų126.657%0.5776%0.764SS**  cis-170.7160.2-14.600000111.3
424H46.9Very low43Very low150 Ų150122.8 Ų122.869%0.69475%0.75SS**  trans85115.5143.7-67.9-50.8000124.5
425K43.6Very low43.2Very low182 Ų182127.8 Ų127.879%0.79175%0.75SS**  71.8143.1126.9-68.7175.5-177.2177.40117.7
426S41.2Very low43.3Very low97 Ų97129.3 Ų129.368%0.67875%0.752SS**  cis176.6155.9-4.655.80000108.2
427V46.5Very low43.5Very low120 Ų120130.4 Ų130.473%0.72775%0.748SS**  trans92.9102.2138.71690000120.5
428T43.5Very low44.2Very low134 Ų134128.4 Ų128.482%0.82275%0.75SS**  72.8133.3126.464.80000124.8
429G41.7Very low44.3Very low60 Ų60124 Ų12462%0.61975%0.747SS**  130.396.7129.500000114.8
430T44.3Very low44.7Very low146 Ų146121.5 Ų121.590%0.89675%0.753SS**  49.8134.197.351.50000114.6
431A43.5Very low44.8Very low92 Ų92121.7 Ų121.776%0.7675%0.749SS**  cis-174.3173.87.800000109.2
432A43.4Very low44.4Very low94 Ų94127.7 Ų127.778%0.77776%0.759SS**  trans96.6111.3141.500000120.9
433A45.5Very low44.6Very low100 Ų100125 Ų12583%0.82676%0.755SS**  66.9143.1117.900000119.5
434S43.9Very low44.5Very low86 Ų86126.3 Ų126.360%0.60176%0.76SS**  cis-174.9162.1-8.771.20000108.6
435K44.8Very low44.5Very low182 Ų182128.4 Ų128.479%0.79177%0.767SS**  trans85.7126.3145.2-68.9167.6-165.2-175.20121.4
436H43.4Very low44.6Very low189 Ų189131 Ų13188%0.87577%0.772SS**  trans107.9138.5138.9-85.82.3000120
437S42Very low45Very low102 Ų102137.7 Ų137.771%0.71378%0.784SS**  trans-151.2174.2-159.5163.40000104.6
438P52.5Low45.5Very low115 Ų115137.1 Ų137.175%0.74779%0.785SS**  cis-125.2-179.4-39.931.6-14000110.9
439A44.7Very low46.7Very low95 Ų95136.4 Ų136.479%0.78578%0.783SS**  trans156135.8130.300000113.5
440A46.5Very low47.2Very low96 Ų96148 Ų14879%0.79381%0.81SS**  trans54117148.300000120.4
441E44.6Very low47.4Very low167 Ų167148.1 Ų148.178%0.7881%0.806SS**  150.3109.5104.2-163.6163-17800111.9
442R43.6Very low47.6Very low222 Ų222151 Ų15184%0.83881%0.808SS**  trans45128.7134.6-127174.9-161.8167.22.5119.8
443V47.5Very low47.8Very low126 Ų126154.2 Ų154.276%0.76481%0.81SS**  trans127.4103.3138.5-179.20000114.4
444S41.8Very low48Very low97 Ų97157.4 Ų157.468%0.67881%0.809SS**  trans44.2113.5132.8-159.10000119.5
445K46.1Very low48.2Very low195 Ų195161.8 Ų161.885%0.84882%0.822SS**  176.4128.2112.7-92.3159-173.71780111.6
446R45Very low48.5Very low236 Ų236160.5 Ų160.589%0.89182%0.824SS**  trans-3.3131156-53.7175.7-155.51704.8117.1
447Y49.8Very low48.8Very low238 Ų238158.4 Ų158.493%0.93382%0.82SS**  trans-155.7136134.1-116.7-85.9000110.4
448S57.7Low49.4Very low107 Ų107162.8 Ų162.875%0.74883%0.828SS**  trans-79.8146.2179-172.80000110.8
449P67.9Low49.1Very low119 Ų119166.8 Ų166.877%0.77384%0.835SS**  trans-89.4138.4170.534.4-27.7000110.8
450Y53.9Low49.5Very low303 Ų303173.3 Ų173.3100%1.18884%0.839SS**  trans-74.40146.9-99.3-88.9000109.4

Retrieved 450 of 450 residues in 249.3 ms (Link to these results)