A0A093KE06_STRCA Loading...

Transmembrane protein 200A

AlphaFold DB , UniProt , Accession A0A093KE06, Species STRCA (Struthio camelus australis), Gene n/a, Length 491 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
1M35.9Very low44.5Very low226 Ų226135.3 Ų135.3100%1.11387%0.868SS**  0116.60-66.3153.881.400105.8
2I38.7Very low44.5Very low168 Ų168131.3 Ų131.386%0.86286%0.856SS**  57.5118.991.3-55.9169.4000109.2
3A44.2Very low44.5Very low98 Ų98127.8 Ų127.881%0.8184%0.844SS**  cis-131.3165.537.700000116.9
4T48.6Very low44.3Very low147 Ų147131.8 Ų131.890%0.90285%0.853SS**  trans-113.4153.9178.948.30000112.3
5G39.8Very low44.4Very low85 Ų85134.7 Ų134.788%0.87685%0.847SS**  trans112.4147.415400000116
6G41.3Very low44.5Very low74 Ų74141.3 Ų141.376%0.76385%0.85SS**  trans153.25.717200000119.7
7V44.5Very low44.3Very low144 Ų144144.2 Ų144.287%0.87385%0.853SS**  trans-121.737.7-170.3-152.40000114.2
8I54.2Low43.7Very low166 Ų166145.7 Ų145.785%0.85186%0.856SS**  trans-138.149.8-175.7-33.2178.3000113.6
9T51.1Low43.3Very low122 Ų122144.5 Ų144.575%0.74886%0.856SS**  trans-139.23.3177.3-7.60000115.7L11T9-L11 PolarHBondContact O-N 3.46Å
10G45.3Very low42.8Very low78 Ų78142.2 Ų142.280%0.80485%0.854SS**THydrogen-bonded Turntrans-77.9-12.2-173.100000117
11L46Very low42.2Very low180 Ų180147.5 Ų147.594%0.94286%0.859SS**THydrogen-bonded Turntrans-103.2-4.4-167.1-80.8165.2000115.9T9T9-L11 PolarHBondContact O-N 3.46Å
12A44.6Very low42.1Very low88 Ų88142.2 Ų142.273%0.72784%0.844SS**SBendtrans-99.4-16.9-17700000114.7
13A44.1Very low41.8Very low85 Ų85143 Ų14370%0.70285%0.845SS**  trans-87-12.8-164.400000115.8K15A13-K15 PolarHBondContact O-N 3.35Å
14L42.3Very low41.2Very low184 Ų184146 Ų14696%0.96384%0.842SS**SBendtrans-80.341.8-179.1-156.777.2000113.1
15K45.2Very low40.4Very low175 Ų175147.6 Ų147.676%0.76184%0.838SS**SBendtrans-155113.8179.3-163.2170.6-174.1175.40110.4A13A13-K15 PolarHBondContact O-N 3.35Å
16R45.9Very low40Very low240 Ų240149.2 Ų149.291%0.90683%0.831SS**  trans84.364.9-175.8-49.6177-177.7-147.12.5116.2
17Q41.5Very low39.3Very low192 Ų192153.2 Ų153.290%0.89784%0.835SS**  trans-122104.5137.7-79.4-170.8-87.800108.4
18D34.1Very low38.7Very low171 Ų171154.9 Ų154.991%0.91484%0.838SS**  trans-179.885.6149.6-101.3-20.1000108.8
19S35.5Very low37.7Very low122 Ų122151.2 Ų151.285%0.85383%0.832SS**  trans-160.8137.9162.1-160.60000111.1
20A32.3Very low36.6Very low98 Ų98152.1 Ų152.181%0.8184%0.838SS**  trans52.785.6164.500000119
21R32.2Very low35.9Very low255 Ų255153.6 Ų153.696%0.96284%0.836SS**  trans-149.379.1140.7-164.1175.6-177167.91.9113.9
22S31.8Very low35.5Very low115 Ų115150.9 Ų150.980%0.80483%0.829SS**  trans-164.697.4141.5-166.40000111.6
23Q32.9Very low34.8Very low185 Ų185150.8 Ų150.886%0.86483%0.828SS**  trans-121.6118.6143.3-77.9-170.8-13.200105.9
24Q32.1Very low34.6Very low161 Ų161152.4 Ų152.475%0.75283%0.832SS**  trans173.3109.2135.2-13369.6-24.200108.8
25H31.1Very low34.2Very low179 Ų179151 Ų15183%0.82982%0.82SS**  trans-163103.3135.5-128.4-97.6000113
26V31.5Very low34Very low120 Ų120151.9 Ų151.973%0.72783%0.827SS**  trans56.2128.1147.3-175.50000119.6
27N26.9Very low33.5Very low157 Ų157148.5 Ų148.584%0.8482%0.819SS**  trans-84152.8174.8-47.5-73.6000112.5
28L31.5Very low33.2Very low180 Ų180148.5 Ų148.594%0.94282%0.816SS**  trans-142.1141.6140.9-165.667.4000108.4
29A32.8Very low33.3Very low88 Ų88146.5 Ų146.573%0.72781%0.812SS**  trans-97.9147.3-164.600000113.9
30T29.5Very low33.6Very low142 Ų142147 Ų14787%0.87181%0.81SS**  trans-168.6146139.5-75.80000109.1
31S30.3Very low33.8Very low108 Ų108153.7 Ų153.776%0.75581%0.814SS**  trans-123.3142.3173.4-163.70000107.1
32P37.7Very low34.2Very low124 Ų124152.7 Ų152.781%0.80581%0.81SS**  -140.8-178.876.131.6-10.3000115.4
33A29.8Very low34.8Very low86 Ų86158 Ų15871%0.71181%0.813SS**  trans-101-158.4177.600000110.9
34P39.8Very low35.3Very low118 Ų118155.1 Ų155.177%0.76681%0.81SS**  cis-127.6161.4-31.836.5-22.5000113.1
35E34.4Very low35.5Very low154 Ų154158.5 Ų158.572%0.7282%0.816SS**  trans-151.1133151.4-91.4-154.8134.600112.5K37E35-K37 VanDerWaalsContact OE2-CE 3.24Å; E35-K37 WeakPolarHBondContact OE2-CE 3.22Å; E35-K37 IonicContact OE2-NZ 2.56Å; E35-K37 PolarHBondContact OE2-NZ 2.85Å
36E40.3Very low35.9Very low195 Ų195154.4 Ų154.491%0.91181%0.813SS**  trans-74.4121.1167.5-72.5-169.497.100111.1
37K34.5Very low36Very low168 Ų168154.9 Ų154.973%0.7381%0.812SS**  trans-124109.9165.1-73.8178.6172.8151.70110.9E35E35-K37 VanDerWaalsContact OE2-CE 3.24Å; E35-K37 WeakPolarHBondContact OE2-CE 3.22Å; E35-K37 IonicContact OE2-NZ 2.56Å; E35-K37 PolarHBondContact OE2-NZ 2.85Å
38K36.7Very low36.5Very low193 Ų193153.1 Ų153.184%0.83981%0.806SS**  trans-43134.6-171.4-65.2165.5-179.7170.50112.1V40K38-V40 PolarHBondContact O-N 3.44Å
39P35.1Very low36.8Very low128 Ų128148.8 Ų148.883%0.83179%0.787SS**  trans-63.7110.1176.126.4-33.4000109.7R41P39-R41 PolarHBondContact O-N 3.22Å
40V42.8Very low37.2Very low134 Ų134151 Ų15181%0.81279%0.785SS**  trans-54.6116.8174.3174.40000108K38 R42K38-V40 PolarHBondContact O-N 3.44Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 2.85Å
41R36.1Very low37.9Very low237 Ų237149.2 Ų149.289%0.89477%0.774SS**  trans-61.791.5-171.5-166.5177.2-171.1175.22.3109.3P39 R43P39-R41 PolarHBondContact O-N 3.22Å; R41-R43 PolarHBondContact O-N 3.43Å; R41-R43 VanDerWaalsContact O-N 3.11Å
42R41Very low38.5Very low234 Ų234154.3 Ų154.388%0.88378%0.776SS**  trans-51.7121.9177.8-71.9-179.9175.5167.9-0.5107.1V40V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 2.85Å
43R44.7Very low39.1Very low227 Ų227150 Ų15086%0.85776%0.755SS**  trans-48.2137.3170-63.2-176.5-177.2-170.40.4107R41 R45R41-R43 PolarHBondContact O-N 3.43Å; R41-R43 VanDerWaalsContact O-N 3.11Å; R43-R45 PolarHBondContact O-N 2.88Å
44P43.3Very low40.1Very low125 Ų125155.3 Ų155.381%0.81276%0.762SS**  trans-50.4115.2162.4-21.632.8000106.2A46P44-A46 PolarHBondContact O-N 2.72Å
45R36.2Very low40.9Very low232 Ų232153.7 Ų153.788%0.87575%0.746SS**  trans-57.5137.7157.9-72.1-171.2170.1-154.7-4.6104.3R43 D47R43-R45 PolarHBondContact O-N 2.88Å; R45-D47 VanDerWaalsContact C-N 3.35Å; R45-D47 PolarHBondContact O-N 2.89Å
46A39.9Very low42.2Very low92 Ų92155.9 Ų155.976%0.7675%0.747SS**  trans-47.7111.616700000105.5P44 V48P44-A46 PolarHBondContact O-N 2.72Å; A46-V48 PolarHBondContact O-N 3.26Å
47D32.3Very low43.1Very low131 Ų131150.7 Ų150.770%0.70173%0.725SS**  trans-61.7121.6-174.3-17710.2000104.2R45 V49R45-D47 VanDerWaalsContact C-N 3.35Å; R45-D47 PolarHBondContact O-N 2.89Å; D47-V49 HydrophobicContact CB-CG2 3.84Å; D47-V49 PolarHBondContact O-N 3.07Å; D47-V49 PolarHBondContact OD1-N 2.81Å; D47-V49 WeakPolarHBondContact OD2-CG2 3.43Å
48V38.8Very low44.4Very low120 Ų120154 Ų15473%0.72774%0.735SS**  trans-76.967.4168-171.60000104.7A46 I50A46-V48 PolarHBondContact O-N 3.26Å; V48-I50 HydrophobicContact CG1-CG1 4.18Å; V48-I50 PolarHBondContact O-N 2.75Å
49V36Very low46.2Very low88 Ų88147 Ų14753%0.53371%0.71SS.*  trans-53.991.2150-167.50000103D47 V51D47-V49 HydrophobicContact CB-CG2 3.84Å; D47-V49 PolarHBondContact O-N 3.07Å; D47-V49 PolarHBondContact OD1-N 2.81Å; D47-V49 WeakPolarHBondContact OD2-CG2 3.43Å; V49-V51 HydrophobicContact CB-CG2 4.05Å; V49-V51 HydrophobicContact CG1-CB 4.46Å; V49-V51 HydrophobicContact CG1-CG2 3.57Å; V49-V51 PolarHBondContact O-N 3.08Å
50I43.2Very low48.4Very low136 Ų136145.5 Ų145.570%0.69770%0.7SS**  trans-56.590149.7-58.2173.4000102V48 R52V48-I50 HydrophobicContact CG1-CG1 4.18Å; V48-I50 PolarHBondContact O-N 2.75Å; I50-R52 HydrophobicContact CG2-CB 4.17Å; I50-R52 PolarHBondContact O-N 3.04Å
51V42.5Very low50.2Low103 Ų103139.7 Ų139.762%0.62467%0.666SS**  trans-68.172.7171.1179.80000103.8V49 G53V49-V51 HydrophobicContact CB-CG2 4.05Å; V49-V51 HydrophobicContact CG1-CB 4.46Å; V49-V51 HydrophobicContact CG1-CG2 3.57Å; V49-V51 PolarHBondContact O-N 3.08Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 WeakPolarHBondContact O-CA 3.32Å; V51-G53 PolarHBondContact O-N 3.27Å
52R43.7Very low52.7Low216 Ų216128.4 Ų128.482%0.81562%0.623SS**  trans-59.198.3-162172-175.4174.1151.21.7105.3I50 K54I50-R52 HydrophobicContact CG2-CB 4.17Å; I50-R52 PolarHBondContact O-N 3.04Å; R52-K54 VanDerWaalsContact C-N 3.35Å; R52-K54 WeakPolarHBondContact O-CA 3.33Å; R52-K54 PolarHBondContact O-N 3.36Å
53G50Low55Low34 Ų34123.5 Ų123.535%0.35161%0.608SS.*  trans-46.7102-148.600000109.6V51 I55V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 WeakPolarHBondContact O-CA 3.32Å; V51-G53 PolarHBondContact O-N 3.27Å; G53-I55 WeakPolarHBondContact O-CG1 3.37Å; G53-I55 PolarHBondContact O-N 3.36Å
54K50.8Low57.2Low196 Ų196117.8 Ų117.885%0.85259%0.59SS**  trans-83.457.6-173.8-156.8172.9-172.9178.30107.3R52 R56R52-K54 VanDerWaalsContact C-N 3.35Å; R52-K54 WeakPolarHBondContact O-CA 3.33Å; R52-K54 PolarHBondContact O-N 3.36Å; K54-R56 PolarHBondContact O-N 3.45Å; K54-R56 VanDerWaalsContact O-N 3.08Å
55I57.4Low59.5Low85 Ų85113 Ų11344%0.43656%0.558SS.*  trans-51.9118.1-172.9-20.1-179.8000105.4G53 L57 L147G53-I55 WeakPolarHBondContact O-CG1 3.37Å; G53-I55 PolarHBondContact O-N 3.36Å; I55-L57 PolarHBondContact O-N 2.97Å; I55-L147 HydrophobicContact CG2-CD1 4.39Å; I55-L147 HydrophobicContact CG2-CD2 4.33Å
56R61.8Low62.2Low200 Ų200105.8 Ų105.876%0.75554%0.539SS*.  trans-73.883.2177.5-71.8-178.3167.4-154.4-2.9106.7K54 Y58 S59K54-R56 PolarHBondContact O-N 3.45Å; K54-R56 VanDerWaalsContact O-N 3.08Å; R56-Y58 PolarHBondContact O-N 3.29Å; R56-S59 WeakPolarHBondContact O-CA 3.41Å; R56-S59 WeakPolarHBondContact O-CB 3.49Å; R56-S59 PolarHBondContact O-N 3Å
57L58.1Low64.8Low85 Ų85104.3 Ų104.345%0.44552%0.518SS..THydrogen-bonded Turntrans-60.8-20.4175.7-65.6170.7000111.6I55 S59 G62 F63I55-L57 PolarHBondContact O-N 2.97Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-G62 CarbonylContact O-C 3.2Å; L57-G62 WeakPolarHBondContact O-CA 3.4Å; L57-F63 PolarHBondContact O-N 3.36Å
58Y62.6Low67.8Low239 Ų23998.1 Ų98.194%0.93749%0.485SS*.THydrogen-bonded Turntrans-84.79.2168.6-64.5-79.5000114.6R56R56-Y58 PolarHBondContact O-N 3.29Å
59S74.4Confident70.4Confident44 Ų4494.8 Ų94.831%0.30847%0.465SS..SBendtrans-73.6150.9163.4-172.90000109.3R56 L57 S61 G62 F63R56-S59 WeakPolarHBondContact O-CA 3.41Å; R56-S59 WeakPolarHBondContact O-CB 3.49Å; R56-S59 PolarHBondContact O-N 3Å; L57-S59 VanDerWaalsContact C-N 3.31Å; S59-S61 VanDerWaalsContact C-N 3.26Å; S59-S61 PolarHBondContact O-N 3.49Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S59-G62 WeakPolarHBondContact O-CA 3.36Å; S59-G62 PolarHBondContact O-N 2.85Å; S59-F63 PolarHBondContact O-N 3.27Å
60P80.6Confident73.3Confident97 Ų9795.7 Ų95.763%0.6347%0.466SS*.Hα-helixtrans-52-38.6-179.6-30.536.9000114.7F63 F64P60-F63 WeakPolarHBondContact O-CB 3.19Å; P60-F63 PolarHBondContact O-N 2.91Å; P60-F64 WeakPolarHBondContact O-CD2 3.41Å; P60-F64 PolarHBondContact O-N 3.23Å
61S81.3Confident75.7Confident13 Ų1391.2 Ų91.29%0.09144%0.443CS..Hα-helixtrans-68.6-31.9174.551.10000113.7S59 L65S59-S61 VanDerWaalsContact C-N 3.26Å; S59-S61 PolarHBondContact O-N 3.49Å; S59-S61 VanDerWaalsContact O-N 3.14Å; S61-L65 PolarHBondContact O-N 3.42Å; S61-L65 VanDerWaalsContact O-N 3.16Å
62G87.3Confident78.2Confident0 Ų087 Ų870%042%0.419CS..Hα-helixtrans-68.8-36173.300000112.7L57 S59 L65 V66L57-G62 CarbonylContact O-C 3.2Å; L57-G62 WeakPolarHBondContact O-CA 3.4Å; S59-G62 WeakPolarHBondContact O-CA 3.36Å; S59-G62 PolarHBondContact O-N 2.85Å; G62-L65 PolarHBondContact O-N 3.33Å; G62-V66 WeakPolarHBondContact O-CG2 3.42Å; G62-V66 PolarHBondContact O-N 2.8Å
63F89.5Confident80.6Confident130 Ų13083.3 Ų83.357%0.5741%0.409SS*.Hα-helixtrans-61-46.7172.8176.2-97.1000111.8L57 S59 P60 L65 V66 L67L57-F63 PolarHBondContact O-N 3.36Å; S59-F63 PolarHBondContact O-N 3.27Å; P60-F63 WeakPolarHBondContact O-CB 3.19Å; P60-F63 PolarHBondContact O-N 2.91Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 3.45Å; F63-V66 PolarHBondContact O-N 3.27Å; F63-L67 HydrophobicContact CE1-CD2 4.38Å; F63-L67 WeakPolarHBondContact O-CB 3.29Å; F63-L67 PolarHBondContact O-N 2.86Å
64F91.5Very high82.6Confident108 Ų10885.1 Ų85.147%0.47441%0.41SS..Hα-helixtrans-63.6-32.7175.8-69.5-65.3000113.2P60 L67 G68 A143P60-F64 WeakPolarHBondContact O-CD2 3.41Å; P60-F64 PolarHBondContact O-N 3.23Å; F64-L67 HydrophobicContact CD1-CD2 4.39Å; F64-L67 PolarHBondContact O-N 2.69Å; F64-G68 PolarHBondContact O-N 2.87Å; F64-A143 HydrophobicContact CB-CB 3.73Å
65L91.9Very high84.5Confident25 Ų2575.8 Ų75.813%0.13137%0.37CS..Hα-helixtrans-66.2-45.4174.3-174.1154.5000111.3S61 G62 F63 G68 V69 F140 A143 N144 L147S61-L65 PolarHBondContact O-N 3.42Å; S61-L65 VanDerWaalsContact O-N 3.16Å; G62-L65 PolarHBondContact O-N 3.33Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 3.45Å; L65-G68 PolarHBondContact O-N 3.43Å; L65-V69 HydrophobicContact CD2-CG2 4.48Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.93Å; L65-V69 VanDerWaalsContact O-N 3.08Å; L65-F140 HydrophobicContact CD1-CE2 4.16Å; L65-F140 HydrophobicContact CD2-CD2 4.27Å; L65-F140 HydrophobicContact CD2-CE2 3.88Å; L65-F140 HydrophobicContact CG-CD2 3.85Å; L65-F140 HydrophobicContact CG-CE2 3.73Å; L65-A143 HydrophobicContact CB-CB 4.12Å; L65-N144 HydrophobicContact CD1-CB 4.17Å; L65-L147 HydrophobicContact CD1-CD2 3.64Å
66V92.8Very high86.1Confident79 Ų7974.9 Ų74.948%0.47937%0.365SS..Hα-helixtrans-63.7-40.7175173.90000111.3G62 F63 V69 L70G62-V66 WeakPolarHBondContact O-CG2 3.42Å; G62-V66 PolarHBondContact O-N 2.8Å; F63-V66 PolarHBondContact O-N 3.27Å; V66-V69 PolarHBondContact O-N 2.83Å; V66-L70 WeakPolarHBondContact O-CB 3.06Å; V66-L70 PolarHBondContact O-N 2.85Å
67L93.3Very high87.4Confident62 Ų6267.4 Ų67.433%0.32535%0.346SS..Hα-helixtrans-63.3-44.9176.2-177.264.7000112.1F63 F64 V69 L70 I71F63-L67 HydrophobicContact CE1-CD2 4.38Å; F63-L67 WeakPolarHBondContact O-CB 3.29Å; F63-L67 PolarHBondContact O-N 2.86Å; F64-L67 HydrophobicContact CD1-CD2 4.39Å; F64-L67 PolarHBondContact O-N 2.69Å; L67-V69 PolarHBondContact O-N 2.87Å; L67-L70 PolarHBondContact O-N 3.48Å; L67-I71 HydrophobicContact CD1-CD1 4.12Å; L67-I71 HydrophobicContact CD1-CG1 4.42Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.39Å
68G95.3Very high88.8Confident0 Ų064 Ų640%033%0.328CS..Hα-helixtrans-60.6-42.5175.900000112.5F64 L65 I71 A72F64-G68 PolarHBondContact O-N 2.87Å; L65-G68 PolarHBondContact O-N 3.43Å; G68-I71 PolarHBondContact O-N 3.2Å; G68-A72 WeakPolarHBondContact O-CB 3.11Å; G68-A72 PolarHBondContact O-N 3.31Å
69V95.1Very high90Very high50 Ų5053.6 Ų53.630%0.30329%0.291SS..Hα-helixtrans-61.5-44.5173169.70000111.6L65 V66 L67 A72 F73 F140L65-V69 HydrophobicContact CD2-CG2 4.48Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 2.93Å; L65-V69 VanDerWaalsContact O-N 3.08Å; V66-V69 PolarHBondContact O-N 2.83Å; L67-V69 PolarHBondContact O-N 2.87Å; V69-A72 PolarHBondContact O-N 3.3Å; V69-F73 HydrophobicContact CG1-CD2 3.64Å; V69-F73 HydrophobicContact CG1-CE2 3.59Å; V69-F73 VanDerWaalsContact O-CD2 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.28Å; V69-F73 PolarHBondContact O-N 3.43Å; V69-F140 HydrophobicContact CG2-CD2 3.56Å; V69-F140 HydrophobicContact CG2-CE2 3.73Å; V69-F140 HydrophobicContact CG2-CG 4.47Å
70L95.2Very high90.6Very high108 Ų10855.9 Ų55.957%0.56530%0.299SS*.Hα-helixtrans-65.3-41.1179.6-176.2144.9000112.2V66 L67 F73 L74V66-L70 WeakPolarHBondContact O-CB 3.06Å; V66-L70 PolarHBondContact O-N 2.85Å; L67-L70 PolarHBondContact O-N 3.48Å; L70-F73 PolarHBondContact O-N 3.13Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 PolarHBondContact O-N 3.01Å
71I94.4Very high90.7Very high41 Ų4156.7 Ų56.721%0.2130%0.297CS..Hα-helixtrans-66.1-40.2174.5-65.9167.1000110.7L67 G68 L74 G75 I135 I139L67-I71 HydrophobicContact CD1-CD1 4.12Å; L67-I71 HydrophobicContact CD1-CG1 4.42Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.31Å; L67-I71 PolarHBondContact O-N 3.39Å; G68-I71 PolarHBondContact O-N 3.2Å; I71-L74 PolarHBondContact O-N 3.08Å; I71-G75 PolarHBondContact O-N 2.89Å; I71-I135 HydrophobicContact CG2-CG2 3.77Å; I71-I139 HydrophobicContact CD1-CD1 3.93Å
72A94.9Very high90.6Very high14 Ų1456.6 Ų56.612%0.11630%0.299CS..Hα-helixtrans-63.9-42.4175.500000112G68 V69 L74 G75 I76 I137G68-A72 WeakPolarHBondContact O-CB 3.11Å; G68-A72 PolarHBondContact O-N 3.31Å; V69-A72 PolarHBondContact O-N 3.3Å; A72-L74 VanDerWaalsContact C-N 3.34Å; A72-L74 PolarHBondContact O-N 3.43Å; A72-G75 PolarHBondContact O-N 2.94Å; A72-I76 WeakPolarHBondContact O-CB 3.44Å; A72-I76 WeakPolarHBondContact O-CD1 3.26Å; A72-I76 VanDerWaalsContact O-CG1 3.25Å; A72-I76 WeakPolarHBondContact O-CG1 3.41Å; A72-I76 PolarHBondContact O-N 2.87Å; A72-I137 HydrophobicContact CB-CG1 4.4Å
73F94.5Very high90.1Very high140 Ų14063.6 Ų63.661%0.61433%0.326SS*.Hα-helixtrans-61.3-40.1172.7-88.8-64.7000112.5V69 L70 I76 A77V69-F73 HydrophobicContact CG1-CD2 3.64Å; V69-F73 HydrophobicContact CG1-CE2 3.59Å; V69-F73 VanDerWaalsContact O-CD2 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.28Å; V69-F73 PolarHBondContact O-N 3.43Å; L70-F73 PolarHBondContact O-N 3.13Å; F73-I76 PolarHBondContact O-N 3.33Å; F73-A77 WeakPolarHBondContact O-CB 2.89Å; F73-A77 PolarHBondContact O-N 3.38Å
74L91.2Very high89.6Confident72 Ų7266 Ų6638%0.37733%0.332SS..Hα-helixtrans-65.6-41.2176-174.156.6000111.6L70 I71 A72 A77 M78 F116L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 PolarHBondContact O-N 3.01Å; I71-L74 PolarHBondContact O-N 3.08Å; A72-L74 VanDerWaalsContact C-N 3.34Å; A72-L74 PolarHBondContact O-N 3.43Å; L74-A77 PolarHBondContact O-N 3.13Å; L74-M78 WeakPolarHBondContact O-CB 3.45Å; L74-M78 VanDerWaalsContact O-CG 3.28Å; L74-M78 WeakPolarHBondContact O-CG 3.29Å; L74-M78 PolarHBondContact O-N 2.86Å; L74-F116 HydrophobicContact CD1-CE2 4.19Å; L74-F116 HydrophobicContact CD1-CZ 4.24Å; L74-F116 HydrophobicContact CD2-CE2 4.02Å; L74-F116 HydrophobicContact CD2-CZ 3.77Å; L74-F116 HydrophobicContact CG-CE2 4.47Å; L74-F116 HydrophobicContact CG-CZ 4.12Å
75G92Very high88Confident0 Ų064.5 Ų64.50%033%0.333CS..Hα-helixtrans-65-37.6173.400000113.5I71 A72 M78 A79 T132I71-G75 PolarHBondContact O-N 2.89Å; A72-G75 PolarHBondContact O-N 2.94Å; G75-M78 PolarHBondContact O-N 3.42Å; G75-A79 VanDerWaalsContact O-CB 3.31Å; G75-A79 WeakPolarHBondContact O-CB 3.37Å; G75-A79 PolarHBondContact O-N 3.3Å; G75-T132 VanDerWaalsContact CA-OG1 3.24Å; G75-T132 WeakPolarHBondContact CA-OG1 3.5Å
76I91.4Very high86.3Confident66 Ų6670.2 Ų70.234%0.33836%0.359SS..Hα-helixtrans-64.8-43.4172.2-70162.3000110.7A72 F73 A79 I80 M133A72-I76 WeakPolarHBondContact O-CB 3.44Å; A72-I76 WeakPolarHBondContact O-CD1 3.26Å; A72-I76 VanDerWaalsContact O-CG1 3.25Å; A72-I76 WeakPolarHBondContact O-CG1 3.41Å; A72-I76 PolarHBondContact O-N 2.87Å; F73-I76 PolarHBondContact O-N 3.33Å; I76-A79 PolarHBondContact O-N 2.89Å; I76-I80 HydrophobicContact CG2-CD1 3.77Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CB 3.49Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.24Å; I76-I80 PolarHBondContact O-N 2.99Å; I76-M133 HydrophobicContact CG1-CG 4.39Å; I76-M133 HydrophobicContact CG1-SD 4.21Å
77A89.3Confident84.1Confident43 Ų4374.6 Ų74.636%0.35537%0.371SS..Hα-helixtrans-62.9-46.3175.600000111.6F73 L74 A79 I80 L81F73-A77 WeakPolarHBondContact O-CB 2.89Å; F73-A77 PolarHBondContact O-N 3.38Å; L74-A77 PolarHBondContact O-N 3.13Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.27Å; A77-I80 PolarHBondContact O-N 3.48Å; A77-L81 VanDerWaalsContact O-CD1 3.32Å; A77-L81 WeakPolarHBondContact O-CD1 3.28Å; A77-L81 PolarHBondContact O-N 3.36Å
78M85.9Confident81.9Confident13 Ų1378.7 Ų78.76%0.06439%0.389CS..Hα-helixtrans-62.6-34.8175.6-70.2-62.2-66.600112.4L74 G75 G82 F116 V120 M125 L128L74-M78 WeakPolarHBondContact O-CB 3.45Å; L74-M78 VanDerWaalsContact O-CG 3.28Å; L74-M78 WeakPolarHBondContact O-CG 3.29Å; L74-M78 PolarHBondContact O-N 2.86Å; G75-M78 PolarHBondContact O-N 3.42Å; M78-G82 PolarHBondContact O-N 2.89Å; M78-F116 HydrophobicContact CE-CD1 3.55Å; M78-F116 HydrophobicContact CE-CE1 4.05Å; M78-F116 HydrophobicContact CE-CG 4.42Å; M78-F116 HydrophobicContact CG-CD1 4.49Å; M78-F116 HydrophobicContact CG-CE1 4.22Å; M78-F116 HydrophobicContact SD-CD1 3.69Å; M78-F116 HydrophobicContact SD-CE1 4.02Å; M78-F116 HydrophobicContact SD-CG 4.21Å; M78-V120 HydrophobicContact CE-CG2 4.31Å; M78-M125 HydrophobicContact CE-CE 4.04Å; M78-M125 HydrophobicContact CE-SD 3.42Å; M78-M125 WeakPolarHBondContact CE-SD 3.44Å; M78-L128 HydrophobicContact CE-CD2 4.46Å
79A87.7Confident79.7Confident20 Ų2087 Ų8717%0.16543%0.428CS..Hα-helixtrans-68.6-45.5171.700000111.8G75 I76 A77 L81 G82 Y83G75-A79 VanDerWaalsContact O-CB 3.31Å; G75-A79 WeakPolarHBondContact O-CB 3.37Å; G75-A79 PolarHBondContact O-N 3.3Å; I76-A79 PolarHBondContact O-N 2.89Å; A77-A79 VanDerWaalsContact C-N 3.3Å; A77-A79 PolarHBondContact O-N 3.27Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.87Å; A79-G82 PolarHBondContact O-N 3.27Å; A79-Y83 WeakPolarHBondContact O-CB 3.42Å; A79-Y83 WeakPolarHBondContact O-CD2 3.31Å; A79-Y83 PolarHBondContact O-N 3.3Å
80I87.3Confident77.3Confident92 Ų9291.6 Ų91.647%0.47245%0.45SS..Hα-helixtrans-60.8-42.1177.2-70.5166.7000110.8I76 A77 Y83 W84I76-I80 HydrophobicContact CG2-CD1 3.77Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CB 3.49Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.24Å; I76-I80 PolarHBondContact O-N 2.99Å; A77-I80 PolarHBondContact O-N 3.48Å; I80-Y83 CarbonylContact O-C 3.35Å; I80-W84 HydrophobicContact CG2-CE3 4.29Å; I80-W84 WeakPolarHBondContact O-CA 3.29Å; I80-W84 WeakPolarHBondContact O-CB 3.48Å; I80-W84 PolarHBondContact O-N 3.3Å
81L82.1Confident74.9Confident114 Ų11494.3 Ų94.360%0.59746%0.464SS*.Hα-helixtrans-68.4-45.3175-90.566.6000111.8A77 A79 Y83 W84A77-L81 VanDerWaalsContact O-CD1 3.32Å; A77-L81 WeakPolarHBondContact O-CD1 3.28Å; A77-L81 PolarHBondContact O-N 3.36Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.87Å; L81-Y83 VanDerWaalsContact C-N 3.26Å; L81-Y83 PolarHBondContact O-N 3.24Å; L81-W84 WeakPolarHBondContact O-CB 3.25Å; L81-W84 PolarHBondContact O-N 3.06Å; L81-W84 VanDerWaalsContact O-N 3.13Å
82G80.3Confident71.9Confident12 Ų1295.7 Ų95.712%0.12449%0.488CS..Hα-helixtrans-67.1-23179.500000114.5M78 A79 K126M78-G82 PolarHBondContact O-N 2.89Å; A79-G82 PolarHBondContact O-N 3.27Å; G82-K126 WeakPolarHBondContact O-CE 3.32Å; G82-K126 VanDerWaalsContact O-CG 3.26Å; G82-K126 WeakPolarHBondContact O-CG 3.45Å
83Y76.2Confident69.7Low146 Ų146100.8 Ų100.857%0.57352%0.523SS*.THydrogen-bonded Turntrans-105.53.3172.2-75.6-94.3000113.2A79 I80 L81 P85 K126A79-Y83 WeakPolarHBondContact O-CB 3.42Å; A79-Y83 WeakPolarHBondContact O-CD2 3.31Å; A79-Y83 PolarHBondContact O-N 3.3Å; I80-Y83 CarbonylContact O-C 3.35Å; L81-Y83 VanDerWaalsContact C-N 3.26Å; L81-Y83 PolarHBondContact O-N 3.24Å; Y83-P85 WeakPolarHBondContact O-CD 3.49Å; Y83-K126 HydrophobicContact CD2-CG 4.39Å; Y83-K126 HydrophobicContact CE2-CB 4.18Å; Y83-K126 HydrophobicContact CE2-CG 4.14Å
84W80.6Confident66.9Low180 Ų180103.3 Ų103.368%0.68254%0.537SS*.SBendtrans-64123.9174.5-167.2-100.9000107.8I80 L81 Q86I80-W84 HydrophobicContact CG2-CE3 4.29Å; I80-W84 WeakPolarHBondContact O-CA 3.29Å; I80-W84 WeakPolarHBondContact O-CB 3.48Å; I80-W84 PolarHBondContact O-N 3.3Å; L81-W84 WeakPolarHBondContact O-CB 3.25Å; L81-W84 PolarHBondContact O-N 3.06Å; L81-W84 VanDerWaalsContact O-N 3.13Å; W84-Q86 PolarHBondContact O-N 3.21Å; W84-Q86 VanDerWaalsContact O-N 3.08Å
85P57.3Low64.8Low77 Ų77106.5 Ų106.550%0.556%0.555SS.*  trans-64.4119177.625.9-32000107.9Y83 K87Y83-P85 WeakPolarHBondContact O-CD 3.49Å; P85-K87 HydrophobicContact CB-CG 4.37Å; P85-K87 HydrophobicContact CG-CG 4.44Å; P85-K87 PolarHBondContact O-N 3.27Å
86Q56.6Low62.4Low145 Ų145113.8 Ų113.868%0.67859%0.594SS**  trans-66.177.6173.8-166.480.18.900108.5W84 E88 Q89W84-Q86 PolarHBondContact O-N 3.21Å; W84-Q86 VanDerWaalsContact O-N 3.08Å; Q86-E88 VanDerWaalsContact C-N 3.33Å; Q86-E88 PolarHBondContact O-N 3.05Å; Q86-Q89 HydrophobicContact CG-CG 4.18Å
87K45.9Very low60Low171 Ų171118.3 Ų118.374%0.74362%0.618SS**  trans-70.493.5-179.5-74.4-167.7175.4-170.10109.1P85P85-K87 HydrophobicContact CB-CG 4.37Å; P85-K87 HydrophobicContact CG-CG 4.44Å; P85-K87 PolarHBondContact O-N 3.27Å
88E47Very low57.6Low148 Ų148121.8 Ų121.869%0.69264%0.639SS**  trans68.385.1158.1-64169.1-124.800114.8Q86 L90Q86-E88 VanDerWaalsContact C-N 3.33Å; Q86-E88 PolarHBondContact O-N 3.05Å; E88-L90 HydrophobicContact CB-CB 4.14Å; E88-L90 PolarHBondContact O-N 2.9Å
89Q48Very low55.8Low175 Ų175128.4 Ų128.482%0.81867%0.673SS**THydrogen-bonded Turntrans-67.841.9152.8-64175.8-6300111.3Q86Q86-Q89 HydrophobicContact CG-CG 4.18Å
90L46.3Very low53.9Low147 Ų147133.4 Ų133.477%0.7770%0.697SS**THydrogen-bonded Turntrans-121.10.5-172-166.158.9000112.5E88E88-L90 HydrophobicContact CB-CB 4.14Å; E88-L90 PolarHBondContact O-N 2.9Å
91L43.8Very low51.8Low164 Ų164138.4 Ų138.486%0.85972%0.718SS**SBendtrans-126.288.7178.8-134.7176.7000112.4
92G31.6Very low50.1Low70 Ų70136.4 Ų136.472%0.72271%0.711SS**  trans76.8131.3146.500000118.2E94G92-E94 PolarHBondContact O-N 2.89Å
93S47.8Very low48.3Very low121 Ų121142.9 Ų142.985%0.84674%0.738SS**  trans-68.6123.1164-50.70000111.1
94E37.2Very low46.8Very low193 Ų193143 Ų14390%0.90275%0.753SS**  trans-14177.6142.6-82.4-144.99900109.2G92G92-E94 PolarHBondContact O-N 2.89Å
95D47.3Very low45Very low140 Ų140142.8 Ų142.875%0.74977%0.765SS**  trans-66.3146.3154-79.9-54.3000109.1
96N40.2Very low44.5Very low153 Ų153144.7 Ų144.782%0.81876%0.762SS**SBendtrans88.250.8169.5-46.3-81.1000119.3
97L41.8Very low44.1Very low161 Ų161142 Ų14284%0.84376%0.759SS**SBendtrans-147.1155.2149.2-140.768.3000114.2
98S37.9Very low44.4Very low116 Ų116141.9 Ų141.981%0.81176%0.761SS**  trans67.730.516676.30000121.7N100S98-N100 VanDerWaalsContact C-N 3.29Å; S98-N100 PolarHBondContact O-N 2.88Å
99I49.5Very low44.8Very low151 Ų151136.5 Ų136.577%0.77475%0.746SS**  trans-69.6-17.2170-77.7174.8000114.5
100N47.3Very low45.1Very low125 Ų125130.1 Ų130.167%0.66872%0.72SS**  trans-93.8-8-156-67.8-10.2000118S98S98-N100 VanDerWaalsContact C-N 3.29Å; S98-N100 PolarHBondContact O-N 2.88Å
101E44.1Very low45.9Very low197 Ų197127.8 Ų127.892%0.92171%0.708SS**THydrogen-bonded Turntrans-96.919.8-171-69.8-149.2120.500116.6
102T45.7Very low46.5Very low72 Ų72125.1 Ų125.144%0.44269%0.694SS.*THydrogen-bonded Turntrans-126.510.6173.856.10000114.6V104 R106T102-V104 PolarHBondContact O-N 2.56Å; T102-R106 WeakPolarHBondContact O-CB 3.31Å; T102-R106 PolarHBondContact OG1-NH1 3.46Å
103Q43.1Very low47.7Very low149 Ų149125.6 Ų125.670%0.69668%0.679SS**Hα-helixtrans-61.9-34.2-163.8-167.5169.2-6.500115R106Q103-R106 PolarHBondContact O-N 2.86Å
104V43.4Very low48.3Very low147 Ų147128.3 Ų128.389%0.89167%0.671SS**Hα-helixtrans-71.3-41.1-169-174.90000113.5T102T102-V104 PolarHBondContact O-N 2.56Å
105L42.5Very low49.3Very low176 Ų176125.4 Ų125.492%0.92166%0.655SS**Hα-helixtrans-90.6-3.7178.8-160.662.8000112.9
106R46.7Very low50Low118 Ų118121 Ų12145%0.44563%0.63SS.*Hα-helixtrans-97.5-11.1-170.1-162.9169.1-168.5145.20.2114.3T102 Q103 Q108 G109 S110T102-R106 WeakPolarHBondContact O-CB 3.31Å; T102-R106 PolarHBondContact OG1-NH1 3.46Å; Q103-R106 PolarHBondContact O-N 2.86Å; R106-Q108 PolarHBondContact O-N 2.59Å; R106-G109 CarbonylContact O-C 3.57Å; R106-G109 PolarHBondContact O-N 2.79Å; R106-S110 WeakPolarHBondContact O-CB 3.24Å; R106-S110 PolarHBondContact O-N 3.21Å
107S49.5Very low50.9Low88 Ų88119 Ų11962%0.61562%0.616SS**THydrogen-bonded Turntrans-56.6-41.2-171.6-169.10000114.5S110S107-S110 PolarHBondContact O-OG 3Å
108Q52.6Low51.8Low168 Ų168119 Ų11979%0.78561%0.612SS**THydrogen-bonded Turntrans-76.9-36.8173.8-73.9-71.4-20.800113.1R106 S110R106-Q108 PolarHBondContact O-N 2.59Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.32Å
109G54.2Low52.6Low35 Ų35119.3 Ų119.336%0.36160%0.6SS.*Hα-helixtrans-71.2-23.3178.400000113.9R106 I111 L112 L113R106-G109 CarbonylContact O-C 3.57Å; R106-G109 PolarHBondContact O-N 2.79Å; G109-I111 VanDerWaalsContact C-N 3.3Å; G109-I111 PolarHBondContact O-N 3.1Å; G109-L112 PolarHBondContact O-N 3.37Å; G109-L113 VanDerWaalsContact O-CB 3.29Å; G109-L113 WeakPolarHBondContact O-CB 3.5Å; G109-L113 PolarHBondContact O-N 2.88Å
110S55.8Low52.9Low41 Ų41115 Ų11529%0.28758%0.58SS.*Hα-helixtrans-57.4-38.3-175.669.30000113.8R106 S107 Q108 R114R106-S110 WeakPolarHBondContact O-CB 3.24Å; R106-S110 PolarHBondContact O-N 3.21Å; S107-S110 PolarHBondContact O-OG 3Å; Q108-S110 VanDerWaalsContact C-N 3.3Å; Q108-S110 PolarHBondContact O-N 3.32Å; S110-R114 WeakPolarHBondContact O-CB 3.15Å; S110-R114 WeakPolarHBondContact O-CG 3.23Å; S110-R114 PolarHBondContact O-N 3.15Å
111I61.1Low53.3Low99 Ų99117.2 Ų117.251%0.50859%0.586SS.*Hα-helixtrans-71.2-50.4-177.9-63.4169.1000109.9G109 L113 R114 F115G109-I111 VanDerWaalsContact C-N 3.3Å; G109-I111 PolarHBondContact O-N 3.1Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 2.8Å; I111-R114 PolarHBondContact O-N 3.17Å; I111-F115 HydrophobicContact CG2-CD2 3.77Å; I111-F115 HydrophobicContact CG2-CE2 3.51Å; I111-F115 WeakPolarHBondContact O-CD2 3.23Å; I111-F115 PolarHBondContact O-N 3.39Å
112L57.8Low54.1Low108 Ų108110.2 Ų110.257%0.56556%0.559SS**Hα-helixtrans-62.3-42.6175.7-69.1176.2000111.3G109 R114 F115 F116G109-L112 PolarHBondContact O-N 3.37Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 3.03Å; L112-F115 PolarHBondContact O-N 3.01Å; L112-F116 WeakPolarHBondContact O-CD2 3.03Å; L112-F116 PolarHBondContact O-N 3.26Å
113L57.3Low55.1Low79 Ų79113.8 Ų113.841%0.41458%0.576SS.*Hα-helixtrans-60.2-44.4178.3-166.576.4000111.3G109 I111 F116 E117G109-L113 VanDerWaalsContact O-CB 3.29Å; G109-L113 WeakPolarHBondContact O-CB 3.5Å; G109-L113 PolarHBondContact O-N 2.88Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 2.8Å; L113-F116 CarbonylContact O-C 3.58Å; L113-F116 PolarHBondContact O-N 3.36Å; L113-E117 VanDerWaalsContact O-CB 3.31Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 PolarHBondContact O-N 2.91Å
114R60.4Low56.1Low178 Ų178114.4 Ų114.467%0.67258%0.576SS**Hα-helixtrans-67.7-36.9176.3-76178.7175.6-167-1.2113.1S110 I111 L112 F116 E117 Q118S110-R114 WeakPolarHBondContact O-CB 3.15Å; S110-R114 WeakPolarHBondContact O-CG 3.23Å; S110-R114 PolarHBondContact O-N 3.15Å; I111-R114 PolarHBondContact O-N 3.17Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 3.03Å; R114-F116 VanDerWaalsContact C-N 3.34Å; R114-E117 WeakPolarHBondContact O-CB 3.39Å; R114-E117 PolarHBondContact O-N 3.47Å; R114-Q118 WeakPolarHBondContact O-CB 3.5Å; R114-Q118 PolarHBondContact O-N 3.26Å
115F57.5Low57.1Low132 Ų132108.3 Ų108.358%0.57954%0.538SS*.Hα-helixtrans-65.4-37.1171.6-77.9-56.3000112.4I111 L112 H119I111-F115 HydrophobicContact CG2-CD2 3.77Å; I111-F115 HydrophobicContact CG2-CE2 3.51Å; I111-F115 WeakPolarHBondContact O-CD2 3.23Å; I111-F115 PolarHBondContact O-N 3.39Å; L112-F115 PolarHBondContact O-N 3.01Å; F115-H119 PolarHBondContact O-N 3.47Å; F115-H119 VanDerWaalsContact O-N 3.13Å
116F61.8Low58.5Low48 Ų48104.8 Ų104.821%0.21152%0.515CS..Hα-helixtrans-64.4-48.9169.8-77.7-60.6000110.9L74 M78 L112 L113 R114 Q118 H119 V120L74-F116 HydrophobicContact CD1-CE2 4.19Å; L74-F116 HydrophobicContact CD1-CZ 4.24Å; L74-F116 HydrophobicContact CD2-CE2 4.02Å; L74-F116 HydrophobicContact CD2-CZ 3.77Å; L74-F116 HydrophobicContact CG-CE2 4.47Å; L74-F116 HydrophobicContact CG-CZ 4.12Å; M78-F116 HydrophobicContact CE-CD1 3.55Å; M78-F116 HydrophobicContact CE-CE1 4.05Å; M78-F116 HydrophobicContact CE-CG 4.42Å; M78-F116 HydrophobicContact CG-CD1 4.49Å; M78-F116 HydrophobicContact CG-CE1 4.22Å; M78-F116 HydrophobicContact SD-CD1 3.69Å; M78-F116 HydrophobicContact SD-CE1 4.02Å; M78-F116 HydrophobicContact SD-CG 4.21Å; L112-F116 WeakPolarHBondContact O-CD2 3.03Å; L112-F116 PolarHBondContact O-N 3.26Å; L113-F116 CarbonylContact O-C 3.58Å; L113-F116 PolarHBondContact O-N 3.36Å; R114-F116 VanDerWaalsContact C-N 3.34Å; F116-Q118 VanDerWaalsContact C-N 3.26Å; F116-Q118 PolarHBondContact O-N 2.77Å; F116-H119 CarbonylContact O-C 3.6Å; F116-H119 WeakPolarHBondContact O-CA 3.46Å; F116-H119 PolarHBondContact O-N 3.08Å; F116-V120 VanDerWaalsContact O-CB 3.28Å; F116-V120 WeakPolarHBondContact O-CB 3.31Å; F116-V120 WeakPolarHBondContact O-CG2 3.39Å; F116-V120 PolarHBondContact O-N 3.21Å
117E59.8Low60.1Low111 Ų111105.7 Ų105.752%0.51953%0.526SS..Hα-helixtrans-53.9-38.9177.2-163.6162.8-138.100112.9L113 R114 V120 H121L113-E117 VanDerWaalsContact O-CB 3.31Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 PolarHBondContact O-N 2.91Å; R114-E117 WeakPolarHBondContact O-CB 3.39Å; R114-E117 PolarHBondContact O-N 3.47Å; E117-V120 PolarHBondContact O-N 3.08Å; E117-H121 PolarHBondContact O-ND1 2.8Å
118Q60.1Low61.8Low162 Ų162103.8 Ų103.876%0.75751%0.509SS*.Hα-helixtrans-69.6-32.3173.3-155.492.628.300113.2R114 F116R114-Q118 WeakPolarHBondContact O-CB 3.5Å; R114-Q118 PolarHBondContact O-N 3.26Å; F116-Q118 VanDerWaalsContact C-N 3.26Å; F116-Q118 PolarHBondContact O-N 2.77Å
119H53.6Low63.5Low121 Ų12195.8 Ų95.856%0.5647%0.471SS*.Hα-helixtrans-88.1-14.3173.8-76.7-30000113.9F115 F116 L128F115-H119 PolarHBondContact O-N 3.47Å; F115-H119 VanDerWaalsContact O-N 3.13Å; F116-H119 CarbonylContact O-C 3.6Å; F116-H119 WeakPolarHBondContact O-CA 3.46Å; F116-H119 PolarHBondContact O-N 3.08Å; H119-L128 HydrophobicContact CB-CD2 4.49Å
120V56.8Low65.2Low60 Ų6097 Ų9736%0.36447%0.473SS..Hα-helixtrans-75.3-30-178.51570000111.8M78 F116 E117 S122 M125M78-V120 HydrophobicContact CE-CG2 4.31Å; F116-V120 VanDerWaalsContact O-CB 3.28Å; F116-V120 WeakPolarHBondContact O-CB 3.31Å; F116-V120 WeakPolarHBondContact O-CG2 3.39Å; F116-V120 PolarHBondContact O-N 3.21Å; E117-V120 PolarHBondContact O-N 3.08Å; V120-S122 PolarHBondContact O-N 3.42Å; V120-M125 HydrophobicContact CB-CE 4.26Å; V120-M125 HydrophobicContact CB-SD 4.21Å; V120-M125 HydrophobicContact CG1-CE 4.28Å; V120-M125 HydrophobicContact CG2-CE 3.66Å; V120-M125 HydrophobicContact CG2-SD 3.67Å; V120-M125 WeakPolarHBondContact O-CG 3.5Å
121H55.7Low66.9Low172 Ų172101.5 Ų101.580%0.79649%0.487SS*.SBendtrans-74.429.9179.1-87.886.3000114.9E117E117-H121 PolarHBondContact O-ND1 2.8Å
122S61.9Low68.3Low50 Ų5098.2 Ų98.235%0.3547%0.472SS..SBendtrans-148.7137.7177.6-170.50000112.1V120 K124 M125V120-S122 PolarHBondContact O-N 3.42Å; S122-K124 PolarHBondContact O-N 3.41Å; S122-M125 VanDerWaalsContact O-CB 3.29Å; S122-M125 WeakPolarHBondContact O-CB 3.33Å; S122-M125 WeakPolarHBondContact O-CG 3.42Å; S122-M125 PolarHBondContact O-N 3.47Å
123D66Low70.1Confident148 Ų14896.5 Ų96.579%0.79146%0.462SS*.THydrogen-bonded Turntrans-53.2-20.3178.8-64.5-71.3000114.8M125 K126D123-M125 PolarHBondContact O-N 2.89Å; D123-K126 PolarHBondContact O-N 3.4Å
124K63.3Low71.8Confident162 Ų16294.5 Ų94.570%0.70446%0.461SS*.THydrogen-bonded Turntrans-52.9-23.2170.3-62175.8-176.4175.90112.8S122 K126 M127 L128S122-K124 PolarHBondContact O-N 3.41Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K124-K126 PolarHBondContact O-N 2.94Å; K124-M127 PolarHBondContact O-N 2.91Å; K124-L128 PolarHBondContact O-N 2.9Å
125M63.8Low73.5Confident19 Ų1989.5 Ų89.59%0.09445%0.447CS..Hα-helixtrans-42.3-48170.2-91.5-77.2-7900114.9M78 V120 S122 D123 M127 L128 G129M78-M125 HydrophobicContact CE-CE 4.04Å; M78-M125 HydrophobicContact CE-SD 3.42Å; M78-M125 WeakPolarHBondContact CE-SD 3.44Å; V120-M125 HydrophobicContact CB-CE 4.26Å; V120-M125 HydrophobicContact CB-SD 4.21Å; V120-M125 HydrophobicContact CG1-CE 4.28Å; V120-M125 HydrophobicContact CG2-CE 3.66Å; V120-M125 HydrophobicContact CG2-SD 3.67Å; V120-M125 WeakPolarHBondContact O-CG 3.5Å; S122-M125 VanDerWaalsContact O-CB 3.29Å; S122-M125 WeakPolarHBondContact O-CB 3.33Å; S122-M125 WeakPolarHBondContact O-CG 3.42Å; S122-M125 PolarHBondContact O-N 3.47Å; D123-M125 PolarHBondContact O-N 2.89Å; M125-M127 PolarHBondContact O-N 2.88Å; M125-L128 PolarHBondContact O-N 3.06Å; M125-G129 PolarHBondContact O-N 2.74Å
126K73.8Confident75.3Confident102 Ų10283.2 Ų83.244%0.44342%0.419SS..Hα-helixtrans-65.2-23-178.2-79173.4179.1164.90113.1G82 Y83 D123 K124 P130G82-K126 WeakPolarHBondContact O-CE 3.32Å; G82-K126 VanDerWaalsContact O-CG 3.26Å; G82-K126 WeakPolarHBondContact O-CG 3.45Å; Y83-K126 HydrophobicContact CD2-CG 4.39Å; Y83-K126 HydrophobicContact CE2-CB 4.18Å; Y83-K126 HydrophobicContact CE2-CG 4.14Å; D123-K126 PolarHBondContact O-N 3.4Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K124-K126 PolarHBondContact O-N 2.94Å; K126-P130 WeakPolarHBondContact O-CD 3.16Å; K126-P130 WeakPolarHBondContact O-CG 3.25Å
127M79.7Confident76.9Confident137 Ų13784.1 Ų84.168%0.67543%0.425SS*.Hα-helixtrans-89.5-29.4173.1-57.7-56-70.500112.2K124 M125 F131K124-M127 PolarHBondContact O-N 2.91Å; M125-M127 PolarHBondContact O-N 2.88Å; M127-F131 VanDerWaalsContact O-CB 3.25Å; M127-F131 WeakPolarHBondContact O-CB 3.43Å; M127-F131 PolarHBondContact O-N 3.33Å
128L84.4Confident78.6Confident47 Ų4785.2 Ų85.225%0.24643%0.429CS..Hα-helixtrans-68.2-37.7-177.9-172.462.5000112.9M78 H119 K124 M125 F131 T132M78-L128 HydrophobicContact CE-CD2 4.46Å; H119-L128 HydrophobicContact CB-CD2 4.49Å; K124-L128 PolarHBondContact O-N 2.9Å; M125-L128 PolarHBondContact O-N 3.06Å; L128-F131 HydrophobicContact CD1-CD1 4.36Å; L128-F131 PolarHBondContact O-N 3.43Å; L128-T132 HydrophobicContact CD1-CG2 4.05Å; L128-T132 HydrophobicContact CG-CG2 4.35Å; L128-T132 WeakPolarHBondContact O-CB 3.11Å; L128-T132 WeakPolarHBondContact O-CG2 3.3Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 2.92Å
129G87.9Confident80.3Confident0 Ų080 Ų800%041%0.405CS..Hα-helixtrans-58.2-59.517400000112.7M125 F131 T132 M133M125-G129 PolarHBondContact O-N 2.74Å; G129-F131 VanDerWaalsContact C-N 3.3Å; G129-F131 PolarHBondContact O-N 3.03Å; G129-T132 PolarHBondContact O-N 2.78Å; G129-T132 PolarHBondContact O-OG1 2.88Å; G129-T132 VanDerWaalsContact O-OG1 3.06Å; G129-M133 VanDerWaalsContact O-CB 3.27Å; G129-M133 WeakPolarHBondContact O-CB 3.47Å; G129-M133 PolarHBondContact O-N 3.33Å
130P90.8Very high82.2Confident61 Ų6177.7 Ų77.740%0.39639%0.394SS..Hα-helixtrans-57-37173.9-27.836.3000114.2K126 G134K126-P130 WeakPolarHBondContact O-CD 3.16Å; K126-P130 WeakPolarHBondContact O-CG 3.25Å; P130-G134 PolarHBondContact O-N 2.74Å
131F91.5Very high84Confident135 Ų13579.6 Ų79.659%0.59240%0.401SS*.Hα-helixtrans-65.4-48.5177177.5-100.1000112.5M127 L128 G129 G134 I135M127-F131 VanDerWaalsContact O-CB 3.25Å; M127-F131 WeakPolarHBondContact O-CB 3.43Å; M127-F131 PolarHBondContact O-N 3.33Å; L128-F131 HydrophobicContact CD1-CD1 4.36Å; L128-F131 PolarHBondContact O-N 3.43Å; G129-F131 VanDerWaalsContact C-N 3.3Å; G129-F131 PolarHBondContact O-N 3.03Å; F131-G134 PolarHBondContact O-N 3.03Å; F131-I135 HydrophobicContact CE2-CD1 4.49Å; F131-I135 HydrophobicContact CZ-CD1 4.32Å; F131-I135 PolarHBondContact O-N 2.72Å
132T91.3Very high85.8Confident30 Ų3073.9 Ų73.918%0.18438%0.38CS..Hα-helixtrans-69.6-35.2178.3500000112.3G75 L128 G129 I135 G136G75-T132 VanDerWaalsContact CA-OG1 3.24Å; G75-T132 WeakPolarHBondContact CA-OG1 3.5Å; L128-T132 HydrophobicContact CD1-CG2 4.05Å; L128-T132 HydrophobicContact CG-CG2 4.35Å; L128-T132 WeakPolarHBondContact O-CB 3.11Å; L128-T132 WeakPolarHBondContact O-CG2 3.3Å; L128-T132 PolarHBondContact O-N 3.01Å; L128-T132 PolarHBondContact O-OG1 2.92Å; G129-T132 PolarHBondContact O-N 2.78Å; G129-T132 PolarHBondContact O-OG1 2.88Å; G129-T132 VanDerWaalsContact O-OG1 3.06Å; T132-I135 PolarHBondContact O-N 2.78Å; T132-G136 PolarHBondContact O-N 2.65Å
133M93.8Very high87.1Confident72 Ų7271.8 Ų71.836%0.35537%0.365SS..Hα-helixtrans-58.8-46.8168177.2-177.4172.600111.2I76 G129 I135 G136 I137I76-M133 HydrophobicContact CG1-CG 4.39Å; I76-M133 HydrophobicContact CG1-SD 4.21Å; G129-M133 VanDerWaalsContact O-CB 3.27Å; G129-M133 WeakPolarHBondContact O-CB 3.47Å; G129-M133 PolarHBondContact O-N 3.33Å; M133-I135 PolarHBondContact O-N 2.73Å; M133-G136 PolarHBondContact O-N 3.03Å; M133-I137 HydrophobicContact CE-CD1 3.72Å; M133-I137 HydrophobicContact CG-CD1 3.76Å; M133-I137 WeakPolarHBondContact O-CB 3.27Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.42Å; M133-I137 PolarHBondContact O-N 3.47Å
134G94.8Very high88.3Confident38 Ų3867.1 Ų67.139%0.39234%0.341SS..Hα-helixtrans-60.3-43.6176.500000112.9P130 F131 I137 F138P130-G134 PolarHBondContact O-N 2.74Å; F131-G134 PolarHBondContact O-N 3.03Å; G134-I137 PolarHBondContact O-N 2.98Å; G134-F138 WeakPolarHBondContact O-CB 3.39Å; G134-F138 PolarHBondContact O-N 2.77Å
135I94.9Very high89.5Confident73 Ų7362.3 Ų62.337%0.37433%0.331SS..Hα-helixtrans-63.9-41.9175.9-119.769.3000111.6I71 F131 T132 M133 F138 I139I71-I135 HydrophobicContact CG2-CG2 3.77Å; F131-I135 HydrophobicContact CE2-CD1 4.49Å; F131-I135 HydrophobicContact CZ-CD1 4.32Å; F131-I135 PolarHBondContact O-N 2.72Å; T132-I135 PolarHBondContact O-N 2.78Å; M133-I135 PolarHBondContact O-N 2.73Å; I135-F138 PolarHBondContact O-N 3.02Å; I135-I139 HydrophobicContact CG2-CD1 4.38Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.41Å
136G95.4Very high90.6Very high0 Ų065.3 Ų65.30%035%0.346CS..Hα-helixtrans-64.9-42.9176.900000112.8T132 M133 I139 F140T132-G136 PolarHBondContact O-N 2.65Å; M133-G136 PolarHBondContact O-N 3.03Å; G136-I139 PolarHBondContact O-N 2.91Å; G136-F140 VanDerWaalsContact O-CB 3.32Å; G136-F140 WeakPolarHBondContact O-CB 3.08Å; G136-F140 PolarHBondContact O-N 2.86Å
137I95.3Very high91Very high66 Ų6661.5 Ų61.534%0.33833%0.331SS..Hα-helixtrans-66-41.1176.2-69.2169.2000111.2A72 M133 G134 F140 I141A72-I137 HydrophobicContact CB-CG1 4.4Å; M133-I137 HydrophobicContact CE-CD1 3.72Å; M133-I137 HydrophobicContact CG-CD1 3.76Å; M133-I137 WeakPolarHBondContact O-CB 3.27Å; M133-I137 VanDerWaalsContact O-CG1 3.3Å; M133-I137 WeakPolarHBondContact O-CG1 3.42Å; M133-I137 PolarHBondContact O-N 3.47Å; G134-I137 PolarHBondContact O-N 2.98Å; I137-F140 PolarHBondContact O-N 3.14Å; I137-I141 HydrophobicContact CG2-CD1 3.71Å; I137-I141 HydrophobicContact CG2-CG1 4.36Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.43Å; I137-I141 PolarHBondContact O-N 3.16Å
138F96.6Very high90.9Very high135 Ų13560.3 Ų60.359%0.59232%0.323SS*.Hα-helixtrans-60.1-50.3174.8176.5-102.6000111.5G134 I135 F140 I141 C142G134-F138 WeakPolarHBondContact O-CB 3.39Å; G134-F138 PolarHBondContact O-N 2.77Å; I135-F138 PolarHBondContact O-N 3.02Å; F138-F140 VanDerWaalsContact C-N 3.32Å; F138-F140 PolarHBondContact O-N 3.3Å; F138-I141 PolarHBondContact O-N 3.2Å; F138-C142 PolarHBondContact O-N 2.95Å; F138-C142 PolarHBondContact O-SG 2.89Å
139I94.6Very high90.7Very high51 Ų5163 Ų6326%0.26234%0.335SS..Hα-helixtrans-58.6-44.2176-67.4165.6000110.8I71 I135 G136 C142 A143I71-I139 HydrophobicContact CD1-CD1 3.93Å; I135-I139 HydrophobicContact CG2-CD1 4.38Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.3Å; I135-I139 PolarHBondContact O-N 3.41Å; G136-I139 PolarHBondContact O-N 2.91Å; I139-C142 PolarHBondContact O-N 3.28Å; I139-A143 WeakPolarHBondContact O-CB 3.46Å; I139-A143 PolarHBondContact O-N 3.39Å
140F94.1Very high90.1Very high73 Ų7365.8 Ų65.832%0.3235%0.35SS..Hα-helixtrans-60.3-46.4177.2173.7-104.6000112.4L65 V69 G136 I137 F138 N144L65-F140 HydrophobicContact CD1-CE2 4.16Å; L65-F140 HydrophobicContact CD2-CD2 4.27Å; L65-F140 HydrophobicContact CD2-CE2 3.88Å; L65-F140 HydrophobicContact CG-CD2 3.85Å; L65-F140 HydrophobicContact CG-CE2 3.73Å; V69-F140 HydrophobicContact CG2-CD2 3.56Å; V69-F140 HydrophobicContact CG2-CE2 3.73Å; V69-F140 HydrophobicContact CG2-CG 4.47Å; G136-F140 VanDerWaalsContact O-CB 3.32Å; G136-F140 WeakPolarHBondContact O-CB 3.08Å; G136-F140 PolarHBondContact O-N 2.86Å; I137-F140 PolarHBondContact O-N 3.14Å; F138-F140 VanDerWaalsContact C-N 3.32Å; F138-F140 PolarHBondContact O-N 3.3Å; F140-N144 WeakPolarHBondContact O-CB 3.22Å; F140-N144 PolarHBondContact O-N 3.48Å
141I94.3Very high89.1Confident101 Ų10167.1 Ų67.152%0.51835%0.346SS..Hα-helixtrans-65.8-45179.5-68.7168.8000110.8I137 F138 N144 A145I137-I141 HydrophobicContact CG2-CD1 3.71Å; I137-I141 HydrophobicContact CG2-CG1 4.36Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.43Å; I137-I141 PolarHBondContact O-N 3.16Å; F138-I141 PolarHBondContact O-N 3.2Å; I141-N144 PolarHBondContact O-N 2.86Å; I141-A145 WeakPolarHBondContact O-CB 3.39Å; I141-A145 PolarHBondContact O-N 3.46Å
142C92.7Very high87.6Confident52 Ų5265.2 Ų65.235%0.35134%0.342SS..Hα-helixtrans-63-45.9176.6-69.80000112.2F138 I139 N144 A145 I146F138-C142 PolarHBondContact O-N 2.95Å; F138-C142 PolarHBondContact O-SG 2.89Å; I139-C142 PolarHBondContact O-N 3.28Å; C142-N144 VanDerWaalsContact C-N 3.34Å; C142-N144 PolarHBondContact O-N 3.4Å; C142-A145 PolarHBondContact O-N 3.33Å; C142-I146 WeakPolarHBondContact O-CG1 3.1Å; C142-I146 PolarHBondContact O-N 3.01Å
143A91Very high86.1Confident5 Ų568 Ų684%0.04135%0.352CS..Hα-helixtrans-63.6-39.5176.400000111.9F64 L65 I139 I146 L147F64-A143 HydrophobicContact CB-CB 3.73Å; L65-A143 HydrophobicContact CB-CB 4.12Å; I139-A143 WeakPolarHBondContact O-CB 3.46Å; I139-A143 PolarHBondContact O-N 3.39Å; A143-I146 PolarHBondContact O-N 3.29Å; A143-L147 VanDerWaalsContact O-CB 3.27Å; A143-L147 WeakPolarHBondContact O-CB 3.27Å; A143-L147 PolarHBondContact O-N 3.43Å
144N89.6Confident84.3Confident51 Ų5170.1 Ų70.127%0.27336%0.361SS..Hα-helixtrans-68.4-39.6176.8-165.950.7000111.7L65 F140 I141 C142 L147 H148L65-N144 HydrophobicContact CD1-CB 4.17Å; F140-N144 WeakPolarHBondContact O-CB 3.22Å; F140-N144 PolarHBondContact O-N 3.48Å; I141-N144 PolarHBondContact O-N 2.86Å; C142-N144 VanDerWaalsContact C-N 3.34Å; C142-N144 PolarHBondContact O-N 3.4Å; N144-L147 PolarHBondContact O-N 2.95Å; N144-H148 PolarHBondContact ND2-CD2 3.38Å; N144-H148 WeakPolarHBondContact O-CB 3.2Å; N144-H148 PolarHBondContact O-CD2 3.41Å; N144-H148 VanDerWaalsContact O-CD2 3.24Å; N144-H148 PolarHBondContact O-N 3.24Å; N144-H148 PolarHBondContact OD1-CD2 3.36Å
145A90.2Very high82.3Confident60 Ų6071.3 Ų71.350%0.49636%0.361SS..Hα-helixtrans-59.4-48.2173.400000111.6I141 C142 L147 H148 E149I141-A145 WeakPolarHBondContact O-CB 3.39Å; I141-A145 PolarHBondContact O-N 3.46Å; C142-A145 PolarHBondContact O-N 3.33Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 3.49Å; A145-H148 PolarHBondContact O-N 3.24Å; A145-E149 WeakPolarHBondContact O-CB 3.37Å; A145-E149 PolarHBondContact O-N 2.83Å
146I87.2Confident80.2Confident83 Ų8374 Ų7443%0.42637%0.37SS..Hα-helixtrans-63.7-35.6175.9-65.5163.9000111.6C142 A143 N150C142-I146 WeakPolarHBondContact O-CG1 3.1Å; C142-I146 PolarHBondContact O-N 3.01Å; A143-I146 PolarHBondContact O-N 3.29Å; I146-N150 WeakPolarHBondContact O-CB 3.32Å; I146-N150 PolarHBondContact O-N 2.88Å; I146-N150 PolarHBondContact O-ND2 3.45Å
147L81.9Confident78.2Confident21 Ų2179.1 Ų79.111%0.1140%0.396CS..Hα-helixtrans-70-38.9175.5-175.663.9000111.8I55 L65 A143 N144 A145 R151I55-L147 HydrophobicContact CG2-CD1 4.39Å; I55-L147 HydrophobicContact CG2-CD2 4.33Å; L65-L147 HydrophobicContact CD1-CD2 3.64Å; A143-L147 VanDerWaalsContact O-CB 3.27Å; A143-L147 WeakPolarHBondContact O-CB 3.27Å; A143-L147 PolarHBondContact O-N 3.43Å; N144-L147 PolarHBondContact O-N 2.95Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 3.49Å; L147-R151 WeakPolarHBondContact O-CB 3.16Å; L147-R151 PolarHBondContact O-N 3.41Å
148H76.9Confident76.4Confident112 Ų11280.9 Ų80.952%0.51941%0.405SS..Hα-helixtrans-68.2-41.1174.2-88.3-83.3000112N144 A145 R151 D152N144-H148 PolarHBondContact ND2-CD2 3.38Å; N144-H148 WeakPolarHBondContact O-CB 3.2Å; N144-H148 PolarHBondContact O-CD2 3.41Å; N144-H148 VanDerWaalsContact O-CD2 3.24Å; N144-H148 PolarHBondContact O-N 3.24Å; N144-H148 PolarHBondContact OD1-CD2 3.36Å; A145-H148 PolarHBondContact O-N 3.24Å; H148-R151 PolarHBondContact O-N 2.91Å; H148-D152 WeakPolarHBondContact O-CB 3.27Å; H148-D152 PolarHBondContact O-N 2.82Å
149E80.6Confident74.4Confident104 Ų10480.3 Ų80.349%0.48640%0.404SS..Hα-helixtrans-61.3-45.4175.3-164.6-152.4147.200111.4A145 D152 K153A145-E149 WeakPolarHBondContact O-CB 3.37Å; A145-E149 PolarHBondContact O-N 2.83Å; E149-D152 PolarHBondContact O-N 3.11Å; E149-K153 WeakPolarHBondContact O-CG 3.31Å; E149-K153 PolarHBondContact O-N 2.85Å; E149-K153 VanDerWaalsContact O-N 3.14Å; E149-K153 WeakPolarHBondContact OE1-CE 3.31Å; E149-K153 IonicContact OE1-NZ 3.77Å; E149-K153 PolarHBondContact OE1-NZ 3.33Å
150N74.6Confident72.7Confident59 Ų5982.1 Ų82.132%0.31641%0.412SS..Hα-helixtrans-72.7-32.1176.7-70.3-45000112.8I146 K153 E154I146-N150 WeakPolarHBondContact O-CB 3.32Å; I146-N150 PolarHBondContact O-N 2.88Å; I146-N150 PolarHBondContact O-ND2 3.45Å; N150-K153 PolarHBondContact O-N 2.91Å; N150-K153 PolarHBondContact OD1-NZ 3.02Å; N150-E154 PolarHBondContact O-N 2.87Å
151R69.6Low71.3Confident88 Ų8887.9 Ų87.933%0.33243%0.432SS..Hα-helixtrans-66.5-40.6172-176.6178.5-179.776.19.5111.7L147 H148 E154 T155L147-R151 WeakPolarHBondContact O-CB 3.16Å; L147-R151 PolarHBondContact O-N 3.41Å; H148-R151 PolarHBondContact O-N 2.91Å; R151-E154 PolarHBondContact O-N 3.19Å; R151-T155 PolarHBondContact O-N 3.31Å; R151-T155 PolarHBondContact O-OG1 3.18Å
152D60.5Low69.7Low95 Ų9588.1 Ų88.151%0.50844%0.435SS..Hα-helixtrans-62.4-44.2176.4-175.951.7000110.7H148 E149 E154 T155 K156H148-D152 WeakPolarHBondContact O-CB 3.27Å; H148-D152 PolarHBondContact O-N 2.82Å; E149-D152 PolarHBondContact O-N 3.11Å; D152-E154 PolarHBondContact O-N 3.07Å; D152-T155 WeakPolarHBondContact CA-OG1 3.42Å; D152-T155 PolarHBondContact O-N 3.49Å; D152-T155 PolarHBondContact O-OG1 2.87Å; D152-T155 VanDerWaalsContact O-OG1 3.09Å; D152-K156 WeakPolarHBondContact O-CB 3.35Å; D152-K156 PolarHBondContact O-N 3.15Å
153K59.4Low68.7Low88 Ų8889.1 Ų89.138%0.38344%0.436SS..Hα-helixtrans-54.8-50.5169.9-66167.2-161.6165.60111.4E149 N150 T155 K156 I157E149-K153 WeakPolarHBondContact O-CG 3.31Å; E149-K153 PolarHBondContact O-N 2.85Å; E149-K153 VanDerWaalsContact O-N 3.14Å; E149-K153 WeakPolarHBondContact OE1-CE 3.31Å; E149-K153 IonicContact OE1-NZ 3.77Å; E149-K153 PolarHBondContact OE1-NZ 3.33Å; N150-K153 PolarHBondContact O-N 2.91Å; N150-K153 PolarHBondContact OD1-NZ 3.02Å; K153-T155 PolarHBondContact O-N 3.41Å; K153-K156 PolarHBondContact O-N 3.49Å; K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 WeakPolarHBondContact O-CD1 3.37Å; K153-I157 WeakPolarHBondContact O-CG1 3.34Å; K153-I157 PolarHBondContact O-N 2.97Å
154E55.7Low67.3Low117 Ų11795.9 Ų95.955%0.54746%0.461SS..Hα-helixtrans-59.9-45.1177.5-75.9-174.8175.600112.7N150 R151 D152 I157 I158N150-E154 PolarHBondContact O-N 2.87Å; R151-E154 PolarHBondContact O-N 3.19Å; D152-E154 PolarHBondContact O-N 3.07Å; E154-I157 PolarHBondContact O-N 2.92Å; E154-I158 WeakPolarHBondContact O-CG1 3.33Å; E154-I158 PolarHBondContact O-N 3.46Å
155T52.9Low66.1Low63 Ų6396.9 Ų96.939%0.38747%0.472SS..Hα-helixtrans-68.2-35.6177.943.50000112.7R151 D152 K153 I158 H159R151-T155 PolarHBondContact O-N 3.31Å; R151-T155 PolarHBondContact O-OG1 3.18Å; D152-T155 WeakPolarHBondContact CA-OG1 3.42Å; D152-T155 PolarHBondContact O-N 3.49Å; D152-T155 PolarHBondContact O-OG1 2.87Å; D152-T155 VanDerWaalsContact O-OG1 3.09Å; K153-T155 PolarHBondContact O-N 3.41Å; T155-I158 PolarHBondContact O-N 3.21Å; T155-H159 WeakPolarHBondContact O-CB 3.31Å; T155-H159 PolarHBondContact O-N 3.49Å
156K52.2Low65.2Low129 Ų12997.2 Ų97.256%0.56147%0.468SS*.Hα-helixtrans-67.9-38175.4-168.5170.1-173.9171.20111.6D152 K153 M160D152-K156 WeakPolarHBondContact O-CB 3.35Å; D152-K156 PolarHBondContact O-N 3.15Å; K153-K156 PolarHBondContact O-N 3.49Å; K156-M160 WeakPolarHBondContact O-CB 3.33Å; K156-M160 VanDerWaalsContact O-CG 3.24Å; K156-M160 WeakPolarHBondContact O-CG 3.44Å; K156-M160 PolarHBondContact O-N 3.04Å
157I53.4Low64.5Low109 Ų10996.4 Ų96.456%0.55947%0.467SS*.Hα-helixtrans-64.8-43.4172.4-68.2160.2000110.9K153 E154 R161K153-I157 WeakPolarHBondContact O-CB 3.41Å; K153-I157 WeakPolarHBondContact O-CD1 3.37Å; K153-I157 WeakPolarHBondContact O-CG1 3.34Å; K153-I157 PolarHBondContact O-N 2.97Å; E154-I157 PolarHBondContact O-N 2.92Å; I157-R161 VanDerWaalsContact O-CB 3.26Å; I157-R161 WeakPolarHBondContact O-CB 3.43Å; I157-R161 PolarHBondContact O-N 3.24Å
158I57.3Low64Low103 Ų103100.5 Ų100.553%0.52849%0.488SS..Hα-helixtrans-64.4-47.6177-68164.9000110.8E154 T155 M160 R161 D162E154-I158 WeakPolarHBondContact O-CG1 3.33Å; E154-I158 PolarHBondContact O-N 3.46Å; T155-I158 PolarHBondContact O-N 3.21Å; I158-M160 PolarHBondContact O-N 2.98Å; I158-R161 PolarHBondContact O-N 3.32Å; I158-D162 PolarHBondContact O-N 2.84Å
159H54.4Low63.9Low123 Ų12399.5 Ų99.557%0.56949%0.486SS*.Hα-helixtrans-61.9-43.9179.1-174.1-104000112.4T155 D162 I163T155-H159 WeakPolarHBondContact O-CB 3.31Å; T155-H159 PolarHBondContact O-N 3.49Å; H159-D162 PolarHBondContact O-N 2.86Å; H159-I163 WeakPolarHBondContact O-CG1 3.4Å; H159-I163 PolarHBondContact O-N 2.91Å
160M59.2Low63.7Low88 Ų8898.9 Ų98.943%0.43349%0.485SS..Hα-helixtrans-60.6-44.7172.2-75.6-67.2-16800111.8K156 I158 D162 I163 Y164K156-M160 WeakPolarHBondContact O-CB 3.33Å; K156-M160 VanDerWaalsContact O-CG 3.24Å; K156-M160 WeakPolarHBondContact O-CG 3.44Å; K156-M160 PolarHBondContact O-N 3.04Å; I158-M160 PolarHBondContact O-N 2.98Å; M160-D162 VanDerWaalsContact C-N 3.31Å; M160-D162 PolarHBondContact O-N 3.48Å; M160-I163 PolarHBondContact O-N 3.42Å; M160-Y164 HydrophobicContact CB-CD2 4.47Å; M160-Y164 HydrophobicContact CB-CE2 4.43Å; M160-Y164 WeakPolarHBondContact O-CD2 3.14Å; M160-Y164 PolarHBondContact O-N 3.35Å; M160-Y164 HydrophobicContact SD-CE2 4.16Å
161R63.7Low63.5Low195 Ų195101.3 Ų101.374%0.73649%0.494SS*.Hα-helixtrans-63.1-37.4-179.9-166.8179.1-158.8156.17.9112.2I157 I158 S165I157-R161 VanDerWaalsContact O-CB 3.26Å; I157-R161 WeakPolarHBondContact O-CB 3.43Å; I157-R161 PolarHBondContact O-N 3.24Å; I158-R161 PolarHBondContact O-N 3.32Å; R161-S165 WeakPolarHBondContact O-CB 3.45Å; R161-S165 PolarHBondContact O-N 3.47Å
162D61.2Low63.5Low106 Ų106100.8 Ų100.857%0.56750%0.501SS*.Hα-helixtrans-70.9-41178-159.931.8000111.7I158 H159 M160 S165 T166I158-D162 PolarHBondContact O-N 2.84Å; H159-D162 PolarHBondContact O-N 2.86Å; M160-D162 VanDerWaalsContact C-N 3.31Å; M160-D162 PolarHBondContact O-N 3.48Å; D162-S165 PolarHBondContact O-N 3.44Å; D162-T166 WeakPolarHBondContact O-CB 3.43Å; D162-T166 WeakPolarHBondContact O-CG2 3.44Å; D162-T166 PolarHBondContact O-N 3.26Å; D162-T166 PolarHBondContact O-OG1 3.06Å
163I70.4Confident63.7Low73 Ų7399.9 Ų99.937%0.37450%0.496SS..Hα-helixtrans-59.6-50.9171.2-69.8168.4000111.1H159 M160 S165 T166 V167H159-I163 WeakPolarHBondContact O-CG1 3.4Å; H159-I163 PolarHBondContact O-N 2.91Å; M160-I163 PolarHBondContact O-N 3.42Å; I163-S165 PolarHBondContact O-N 2.95Å; I163-T166 PolarHBondContact O-N 2.88Å; I163-T166 PolarHBondContact O-OG1 3.49Å; I163-V167 WeakPolarHBondContact O-CB 3.42Å; I163-V167 VanDerWaalsContact O-CG2 3.28Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 2.92Å
164Y62.3Low63.9Low147 Ų147103.6 Ų103.658%0.57651%0.507SS*.Hα-helixtrans-67.5-35.8178.8-71.1-62.1000112.4M160 I168M160-Y164 HydrophobicContact CB-CD2 4.47Å; M160-Y164 HydrophobicContact CB-CE2 4.43Å; M160-Y164 WeakPolarHBondContact O-CD2 3.14Å; M160-Y164 PolarHBondContact O-N 3.35Å; M160-Y164 HydrophobicContact SD-CE2 4.16Å; Y164-I168 VanDerWaalsContact O-CB 3.3Å; Y164-I168 WeakPolarHBondContact O-CB 3.34Å; Y164-I168 WeakPolarHBondContact O-CD1 3.17Å; Y164-I168 WeakPolarHBondContact O-CG1 3.26Å; Y164-I168 PolarHBondContact O-N 3.36Å
165S64.9Low64.5Low71 Ų71103.2 Ų103.250%0.49751%0.508SS..Hα-helixtrans-68.6-40.1177.6-165.80000112.2R161 D162 I163 D169R161-S165 WeakPolarHBondContact O-CB 3.45Å; R161-S165 PolarHBondContact O-N 3.47Å; D162-S165 PolarHBondContact O-N 3.44Å; I163-S165 PolarHBondContact O-N 2.95Å; S165-D169 WeakPolarHBondContact O-CB 3.17Å; S165-D169 PolarHBondContact O-N 3.09Å
166T70.7Confident64.9Low67 Ų67106.3 Ų106.341%0.41152%0.516SS..Hα-helixtrans-69.3-38.9175.649.40000111.8D162 I163 D169 I170D162-T166 WeakPolarHBondContact O-CB 3.43Å; D162-T166 WeakPolarHBondContact O-CG2 3.44Å; D162-T166 PolarHBondContact O-N 3.26Å; D162-T166 PolarHBondContact O-OG1 3.06Å; I163-T166 PolarHBondContact O-N 2.88Å; I163-T166 PolarHBondContact O-OG1 3.49Å; T166-D169 PolarHBondContact O-N 3Å; T166-I170 WeakPolarHBondContact O-CB 3.42Å; T166-I170 WeakPolarHBondContact O-CD1 3.24Å; T166-I170 WeakPolarHBondContact O-CG1 3.32Å; T166-I170 PolarHBondContact O-N 2.85Å
167V72Confident65.2Low66 Ų66105.5 Ų105.540%0.451%0.514SS..Hα-helixtrans-63.6-45.5172.7170.10000111.3I163 I170 H171I163-V167 WeakPolarHBondContact O-CB 3.42Å; I163-V167 VanDerWaalsContact O-CG2 3.28Å; I163-V167 WeakPolarHBondContact O-CG2 3.49Å; I163-V167 PolarHBondContact O-N 2.92Å; V167-I170 PolarHBondContact O-N 3.17Å; V167-H171 PolarHBondContact O-CD2 2.81Å; V167-H171 PolarHBondContact O-N 3.39Å
168I72.8Confident65.3Low108 Ų108106.6 Ų106.655%0.55452%0.517SS*.Hα-helixtrans-64.3-40.2177.5-70.7164.7000111.3Y164 H171 T172Y164-I168 VanDerWaalsContact O-CB 3.3Å; Y164-I168 WeakPolarHBondContact O-CB 3.34Å; Y164-I168 WeakPolarHBondContact O-CD1 3.17Å; Y164-I168 WeakPolarHBondContact O-CG1 3.26Å; Y164-I168 PolarHBondContact O-N 3.36Å; I168-H171 PolarHBondContact O-N 3Å; I168-T172 WeakPolarHBondContact O-CB 3.35Å; I168-T172 PolarHBondContact O-N 2.86Å; I168-T172 PolarHBondContact O-OG1 2.8Å
169D73.3Confident65.3Low90 Ų90109.7 Ų109.748%0.48153%0.527SS..Hα-helixtrans-66.2-43.8174.6-16845.6000111.4S165 T166 H171 T172 L173S165-D169 WeakPolarHBondContact O-CB 3.17Å; S165-D169 PolarHBondContact O-N 3.09Å; T166-D169 PolarHBondContact O-N 3Å; D169-H171 VanDerWaalsContact C-N 3.33Å; D169-H171 PolarHBondContact O-N 3.3Å; D169-T172 CarbonylContact O-C 3.58Å; D169-T172 PolarHBondContact O-N 3.24Å; D169-T172 VanDerWaalsContact O-N 3.11Å; D169-L173 WeakPolarHBondContact O-CB 3.34Å; D169-L173 VanDerWaalsContact O-CG 3.24Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 2.86Å
170I77.6Confident65.3Low92 Ų92109.6 Ų109.647%0.47253%0.526SS..Hα-helixtrans-58.1-43.2174.1-73.2160.4000111.5T166 V167 R174T166-I170 WeakPolarHBondContact O-CB 3.42Å; T166-I170 WeakPolarHBondContact O-CD1 3.24Å; T166-I170 WeakPolarHBondContact O-CG1 3.32Å; T166-I170 PolarHBondContact O-N 2.85Å; V167-I170 PolarHBondContact O-N 3.17Å; I170-R174 WeakPolarHBondContact O-CB 3.46Å; I170-R174 WeakPolarHBondContact O-CG 3.2Å; I170-R174 PolarHBondContact O-N 3.14Å
171H70.2Confident65.2Low110 Ų110111.7 Ų111.751%0.50954%0.539SS..Hα-helixtrans-66.6-40.5174.9-87.5-90.3000112.1V167 I168 D169 R174 I175V167-H171 PolarHBondContact O-CD2 2.81Å; V167-H171 PolarHBondContact O-N 3.39Å; I168-H171 PolarHBondContact O-N 3Å; D169-H171 VanDerWaalsContact C-N 3.33Å; D169-H171 PolarHBondContact O-N 3.3Å; H171-R174 PolarHBondContact O-N 3.46Å; H171-I175 WeakPolarHBondContact O-CB 3.34Å; H171-I175 WeakPolarHBondContact O-CD1 3.14Å; H171-I175 VanDerWaalsContact O-CG1 3.23Å; H171-I175 WeakPolarHBondContact O-CG1 3.3Å; H171-I175 PolarHBondContact O-N 2.87Å
172T69.1Low64.6Low77 Ų77106.3 Ų106.347%0.47253%0.531SS..Hα-helixtrans-64.8-40.9177.5-58.20000111.4I168 D169 K176I168-T172 WeakPolarHBondContact O-CB 3.35Å; I168-T172 PolarHBondContact O-N 2.86Å; I168-T172 PolarHBondContact O-OG1 2.8Å; D169-T172 CarbonylContact O-C 3.58Å; D169-T172 PolarHBondContact O-N 3.24Å; D169-T172 VanDerWaalsContact O-N 3.11Å; T172-K176 WeakPolarHBondContact O-CB 3.15Å; T172-K176 PolarHBondContact O-N 3.32Å
173L65.2Low64.1Low76 Ų76103.3 Ų103.340%0.39853%0.525SS..Hα-helixtrans-64.7-48.4173.9-70.9169.3000111D169 I175 K176 E177D169-L173 WeakPolarHBondContact O-CB 3.34Å; D169-L173 VanDerWaalsContact O-CG 3.24Å; D169-L173 WeakPolarHBondContact O-CG 3.45Å; D169-L173 PolarHBondContact O-N 2.86Å; L173-I175 PolarHBondContact O-N 3.01Å; L173-K176 CarbonylContact O-C 3.56Å; L173-K176 WeakPolarHBondContact O-CB 3.41Å; L173-K176 PolarHBondContact O-N 3Å; L173-K176 VanDerWaalsContact O-N 3.08Å; L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 WeakPolarHBondContact O-CG 3.1Å; L173-E177 PolarHBondContact O-N 3.31Å
174R63.5Low62.8Low165 Ų165106.6 Ų106.662%0.62354%0.543SS*.Hα-helixtrans-62.4-39.7178.1-72.6-127-92.3128.7-7.7113I170 H171 K176 Q178I170-R174 WeakPolarHBondContact O-CB 3.46Å; I170-R174 WeakPolarHBondContact O-CG 3.2Å; I170-R174 PolarHBondContact O-N 3.14Å; H171-R174 PolarHBondContact O-N 3.46Å; R174-K176 VanDerWaalsContact C-N 3.32Å; R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.38Å; R174-Q178 PolarHBondContact O-N 3.29Å
175I67.3Low62.1Low110 Ų110109.1 Ų109.156%0.56456%0.558SS**Hα-helixtrans-65.2-37.5173.9-69.6165.2000110.9H171 L173 K179H171-I175 WeakPolarHBondContact O-CB 3.34Å; H171-I175 WeakPolarHBondContact O-CD1 3.14Å; H171-I175 VanDerWaalsContact O-CG1 3.23Å; H171-I175 WeakPolarHBondContact O-CG1 3.3Å; H171-I175 PolarHBondContact O-N 2.87Å; L173-I175 PolarHBondContact O-N 3.01Å; I175-K179 WeakPolarHBondContact O-CB 3.34Å; I175-K179 PolarHBondContact O-N 3.07Å
176K62Low61.3Low128 Ų128111.8 Ų111.856%0.55757%0.571SS**Hα-helixtrans-71.7-42.5178.1-173.2176.2178.2-178.40112.6T172 L173 R174 K179 Q180T172-K176 WeakPolarHBondContact O-CB 3.15Å; T172-K176 PolarHBondContact O-N 3.32Å; L173-K176 CarbonylContact O-C 3.56Å; L173-K176 WeakPolarHBondContact O-CB 3.41Å; L173-K176 PolarHBondContact O-N 3Å; L173-K176 VanDerWaalsContact O-N 3.08Å; R174-K176 VanDerWaalsContact C-N 3.32Å; K176-K179 PolarHBondContact O-N 3.45Å; K176-Q180 WeakPolarHBondContact O-CG 3.24Å; K176-Q180 PolarHBondContact O-N 3.49Å
177E58.5Low59.9Low112 Ų112111.9 Ų111.952%0.52359%0.586SS.*Hα-helixtrans-62.5-44.9173.7-73.5175.9156.200111L173 K179 Q180 L181L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 WeakPolarHBondContact O-CG 3.1Å; L173-E177 PolarHBondContact O-N 3.31Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 2.89Å; E177-Q180 PolarHBondContact O-N 3.19Å; E177-Q180 VanDerWaalsContact O-N 3.13Å; E177-L181 PolarHBondContact O-N 2.93Å
178Q55.1Low58.7Low132 Ų132116.9 Ų116.962%0.61761%0.609SS**Hα-helixtrans-59.3-42.6173.2-174.7175.2-2.800111.5R174 Q180 L181 S182R174-Q178 VanDerWaalsContact O-CB 3.28Å; R174-Q178 WeakPolarHBondContact O-CB 3.38Å; R174-Q178 PolarHBondContact O-N 3.29Å; Q178-Q180 VanDerWaalsContact C-N 3.3Å; Q178-Q180 PolarHBondContact O-N 2.65Å; Q178-L181 PolarHBondContact O-N 3.42Å; Q178-S182 PolarHBondContact O-N 3.13Å; Q178-S182 PolarHBondContact O-OG 3.37Å
179K57.3Low56.9Low168 Ų168120.5 Ų120.573%0.7363%0.629SS**Hα-helixtrans-67.9-26.1176.1-172.3168.3-178.1173.80113.6I175 K176 E177 G183I175-K179 WeakPolarHBondContact O-CB 3.34Å; I175-K179 PolarHBondContact O-N 3.07Å; K176-K179 PolarHBondContact O-N 3.45Å; E177-K179 VanDerWaalsContact C-N 3.32Å; E177-K179 PolarHBondContact O-N 2.89Å; K179-G183 PolarHBondContact O-N 3.33Å
180Q55.4Low55Low120 Ų120119.5 Ų119.556%0.56164%0.64SS**Hα-helixtrans-76.4-45172-72-176.7-108.600111.2K176 E177 Q178 S182 G183 D184K176-Q180 WeakPolarHBondContact O-CG 3.24Å; K176-Q180 PolarHBondContact O-N 3.49Å; E177-Q180 PolarHBondContact O-N 3.19Å; E177-Q180 VanDerWaalsContact O-N 3.13Å; Q178-Q180 VanDerWaalsContact C-N 3.3Å; Q178-Q180 PolarHBondContact O-N 2.65Å; Q180-S182 VanDerWaalsContact C-N 3.28Å; Q180-S182 PolarHBondContact O-N 3.21Å; Q180-G183 WeakPolarHBondContact O-CA 3.14Å; Q180-G183 PolarHBondContact O-N 3.26Å; Q180-D184 PolarHBondContact O-N 2.97Å
181L56Low52.9Low133 Ų133124.7 Ų124.770%0.69666%0.662SS**Hα-helixtrans-60.9-33174.5-82.6159.5000113.3E177 Q178 G183E177-L181 PolarHBondContact O-N 2.93Å; Q178-L181 PolarHBondContact O-N 3.42Å; L181-G183 VanDerWaalsContact C-N 3.31Å
182S51.6Low51.1Low82 Ų82122.9 Ų122.957%0.57367%0.673SS**THydrogen-bonded Turntrans-80.9-4.1171.1-58.70000114.4Q178 Q180Q178-S182 PolarHBondContact O-N 3.13Å; Q178-S182 PolarHBondContact O-OG 3.37Å; Q180-S182 VanDerWaalsContact C-N 3.28Å; Q180-S182 PolarHBondContact O-N 3.21Å
183G51.7Low49.6Very low42 Ų42128.4 Ų128.443%0.43369%0.694SS.*THydrogen-bonded Turntrans-85.7-40177.200000113.2K179 Q180 L181 F185K179-G183 PolarHBondContact O-N 3.33Å; Q180-G183 WeakPolarHBondContact O-CA 3.14Å; Q180-G183 PolarHBondContact O-N 3.26Å; L181-G183 VanDerWaalsContact C-N 3.31Å; G183-F185 PolarHBondContact O-N 3.08Å
184D42.7Very low48.1Very low143 Ų143132.4 Ų132.477%0.76572%0.715SS**THydrogen-bonded Turntrans-74-9.4-170.1-65.7-20.5000114.3Q180Q180-D184 PolarHBondContact O-N 2.97Å
185F47.8Very low46.6Very low199 Ų199134.3 Ų134.387%0.87372%0.722SS**THydrogen-bonded Turntrans-94.7-3-178.3-109-84.4000115.5G183G183-F185 PolarHBondContact O-N 3.08Å
186T48.3Very low45.2Very low127 Ų127134.5 Ų134.578%0.77973%0.73SS**SBendtrans-111.122.9-174.8-33.30000112.6
187G40.6Very low43.7Very low70 Ų70133.9 Ų133.972%0.72274%0.742SS**  trans-110.714.7-168.500000117.1
188L45.8Very low42.3Very low170 Ų170131.7 Ų131.789%0.8975%0.749SS**SBendtrans-142.748.7-169.6-15783.1000116.1
189L36.5Very low41.4Very low184 Ų184130.3 Ų130.396%0.96375%0.754SS**  trans-161.5147.6153.4-159.462.7000111.7
190G32.1Very low40.2Very low70 Ų70127.8 Ų127.872%0.72276%0.758SS**  trans101.293.1162.400000115.5
191E34.3Very low39.4Very low201 Ų201127.7 Ų127.794%0.93977%0.769SS**  trans-68150.4158.8-179.9176.6-132.700110.4
192G32.9Very low38.5Very low72 Ų72125.1 Ų125.174%0.74277%0.767SS**  trans177.182.6-178.700000112.1L194G192-L194 PolarHBondContact O-N 2.75Å
193E36.6Very low38.1Very low192 Ų192127.3 Ų127.390%0.89778%0.782SS**  trans-69.4115.5-177.7-178.2177.7-161.500112.2
194L33.1Very low37.6Very low160 Ų160136.4 Ų136.484%0.83880%0.803SS**  trans-166.4130.8151.8-109.1156.9000112.2G192G192-L194 PolarHBondContact O-N 2.75Å
195R32.3Very low37.5Very low206 Ų206138.3 Ų138.378%0.77781%0.813SS**  trans-118.2152.8165.4-86.3-74.5161.3-162.9-7.3107.3
196P39.3Very low37.1Very low114 Ų114133.6 Ų133.674%0.7481%0.811SS**  cis-144.7-172.344.142-22.8000116.6
197S30.2Very low36.4Very low115 Ų115132 Ų13280%0.80481%0.81SS**  trans69.9171.2165.5-152.50000117
198G29.4Very low36.1Very low65 Ų65136.1 Ų136.167%0.6782%0.816SS**  trans104.2108-179.700000114.4S200G198-S200 PolarHBondContact O-N 2.72Å
199S36Very low35.5Very low103 Ų103134.5 Ų134.572%0.7281%0.813SS**  trans-52.3126.8179.649.90000115.1C201S199-C201 PolarHBondContact O-N 2.87Å
200S32.1Very low35.6Very low115 Ų115133.1 Ų133.180%0.80481%0.805SS**  trans-72.7103.2162.1-176.30000109.8G198 A202G198-S200 PolarHBondContact O-N 2.72Å; S200-A202 PolarHBondContact O-N 3.11Å
201C37.9Very low35.7Very low119 Ų119133.6 Ų133.680%0.80480%0.802SS**  trans-74.673.1177.7-730000111.6S199S199-C201 PolarHBondContact O-N 2.87Å
202A36.8Very low35.9Very low79 Ų79129.7 Ų129.765%0.65379%0.794SS**  trans-61.2139.4175.100000112S200 R204S200-A202 PolarHBondContact O-N 3.11Å; A202-R204 PolarHBondContact O-N 3.36Å; A202-R204 VanDerWaalsContact O-N 3.15Å
203S44.3Very low35.9Very low127 Ų127136.5 Ų136.589%0.88880%0.804SS**  trans-56.6112.2-170.8-54.20000114.3
204R39.8Very low35.6Very low233 Ų233133 Ų13388%0.87980%0.801SS**  trans-124.967.5169.3-69.1-169.870.6-143.60.8112.5A202A202-R204 PolarHBondContact O-N 3.36Å; A202-R204 VanDerWaalsContact O-N 3.15Å
205L40.6Very low35.5Very low183 Ų183129.2 Ų129.296%0.95880%0.8SS**  trans-124.762.2166-74.2177.2000110.4
206A40.2Very low35.3Very low101 Ų101128.4 Ų128.484%0.83580%0.803SS**  trans-15155.2179.400000111.9
207A33.6Very low34.9Very low93 Ų93134.6 Ų134.677%0.76981%0.811SS**  trans-163.1100.4165.500000110.6
208N35.1Very low34.8Very low156 Ų156138.8 Ų138.883%0.83481%0.809SS**  trans-143.843.1158.6-1371.3000111.4I210N208-I210 PolarHBondContact O-N 3.46Å
209T33.1Very low34.8Very low137 Ų137143 Ų14384%0.8482%0.817SS**  trans-82.5100.9167.2-55.50000107.9A211T209-A211 PolarHBondContact O-N 2.89Å; T209-A211 VanDerWaalsContact O-N 3.1Å
210I38.7Very low34.3Very low154 Ų154147.3 Ų147.379%0.7982%0.823SS**  trans-67.8108.2174.3-57.2169.8000108.3N208N208-I210 PolarHBondContact O-N 3.46Å
211A34.4Very low34.2Very low80 Ų80151.7 Ų151.766%0.66182%0.822SS**PPolyproline II helixtrans-95.2142164.900000109.2T209T209-A211 PolarHBondContact O-N 2.89Å; T209-A211 VanDerWaalsContact O-N 3.1Å
212P37.7Very low33.7Very low119 Ų119154 Ų15477%0.77382%0.823SS**PPolyproline II helixtrans-75.3162.1-172.331.2-36.4000113.2S214P212-S214 PolarHBondContact O-N 3.44Å
213F32.2Very low33.1Very low216 Ų216156.1 Ų156.195%0.94782%0.823SS**PPolyproline II helixtrans-51.5131.9169.4-78.7-103.1000112
214S30.2Very low32.3Very low119 Ų119155.1 Ų155.183%0.83282%0.816SS**  trans-140.9132.4149.560.80000109.5P212P212-S214 PolarHBondContact O-N 3.44Å
215G31Very low31.6Very low80 Ų80148.8 Ų148.883%0.82581%0.807SS**  trans-81129.3-172.400000112.7R217G215-R217 PolarHBondContact O-N 2.88Å
216F29Very low31.1Very low189 Ų189144.5 Ų144.583%0.82980%0.798SS**  trans-53.3122.3173.717892.3000112.8
217R29.9Very low30.7Very low243 Ų243148 Ų14892%0.91780%0.797SS**  trans-131.4154.7151.4-86.2-158.4173.5-137.2-0.8111G215G215-R217 PolarHBondContact O-N 2.88Å
218R29.9Very low30.7Very low203 Ų203151.4 Ų151.477%0.76680%0.797SS**  trans-96.9132.9-153.8-179.8177.8179.8171.5-0.8112
219N28.1Very low30.5Very low154 Ų154151.5 Ų151.582%0.82480%0.798SS**  trans-72.3145.9171-71.5-43.6000111.8
220F26.2Very low30.5Very low193 Ų193153.5 Ų153.585%0.84680%0.798SS**  trans-136155.9149.5-117.4-87.3000108.9
221R29.5Very low30Very low208 Ų208152.6 Ų152.679%0.78579%0.793SS**  trans-143.7127.3-168.4171.1-151-76.5-123.10.5109.9
222M27.4Very low29.6Very low167 Ų167154 Ų15482%0.82379%0.794SS**  trans-157.1171.1138.9-154.24891.900110.9
223N25.4Very low29.2Very low124 Ų124155 Ų15566%0.66379%0.792SS**  trans-106.6174.4-156.3-42.9-31.9000114.6
224S26.6Very low28.9Very low105 Ų105151.1 Ų151.173%0.73478%0.781SS**  trans98.9143.7140.9-160.20000119.6
225S24.6Very low28.9Very low101 Ų101152.6 Ų152.671%0.70677%0.774SS**  trans49.2121.3153.341.30000118.9
226A31.1Very low28.7Very low92 Ų92154.2 Ų154.276%0.7676%0.764SS**  cis97.2137.83900000113.7
227E31.8Very low29Very low175 Ų175154.4 Ų154.482%0.81876%0.759SS**  trans80.8119.5167.3-50-167.6160.300119.3
228E32.6Very low28.9Very low164 Ų164148.7 Ų148.777%0.76675%0.752SS**  trans54.8116.7138.5-59.6176.6-169.400122.2
229N30.9Very low29Very low158 Ų158145.4 Ų145.485%0.84576%0.755SS**  -171.4170.4103.8-106-86.1000113.6
230E33.1Very low29Very low180 Ų180142.5 Ų142.584%0.84175%0.752SS**  trans-113.7-159.2-174.7-159.9179.2-155.200111.5
231I28.4Very low29.2Very low134 Ų134138.1 Ų138.169%0.68775%0.745SS**  trans92.678.1160.5-50.7178.7000118.1
232T26Very low29.2Very low111 Ų111136.4 Ų136.468%0.68175%0.75SS**  42.9132.8118.860.80000125.4
233L28.5Very low29.4Very low140 Ų140136.4 Ų136.473%0.73375%0.753SS**  trans82.8132.6131.4-69.2164.5000123.5
234N27.8Very low30.4Very low133 Ų133135.8 Ų135.871%0.71176%0.756SS**  trans65167.5143.9-62.73.5000120.8
235E28.5Very low31.1Very low150 Ų150136.1 Ų136.170%0.70176%0.755SS**  cis-174.2168.3-43.6-179.616216600105.7
236D28.1Very low31.3Very low115 Ų115138.6 Ų138.662%0.61576%0.76SS**  trans70147.6168.1-86.8-21000118
237R34.3Very low31.3Very low192 Ų192141.2 Ų141.273%0.72576%0.76SS**  cis-165.2-170.9-26.5-138.5-178.6-171.7105.4-6.7108.9
238T28.4Very low31.3Very low124 Ų124139.6 Ų139.676%0.76176%0.763SS**  trans76.2137.8169.775.50000115.7
239T32Very low31.1Very low134 Ų134138.6 Ų138.682%0.82276%0.758SS**  cis-150.3169.3-8.3-00000111.6
240A29Very low31Very low92 Ų92140.2 Ų140.276%0.7675%0.752SS**  trans-27.1156173.200000118
241S28.9Very low31Very low101 Ų101137.4 Ų137.471%0.70675%0.753SS**  -174.8159.85159.20000116.2
242L30.3Very low31Very low172 Ų172134.4 Ų134.490%0.90175%0.754SS**  trans72.8150.6164.2-53.5-175.5000119.7
243L32.3Very low31.1Very low168 Ų168134.7 Ų134.788%0.8876%0.761SS**  trans-127.2167.2-170.6-88.2173000111.8
244P44.8Very low31.3Very low110 Ų110133.9 Ų133.971%0.71476%0.761SS**  trans-103.1172.5-167.240.8-37.4000115.2
245P41.8Very low31.3Very low112 Ų112137.5 Ų137.573%0.72777%0.771SS**  trans-132.5163.4142.127.8-9.5000112.3
246L29.8Very low31.3Very low153 Ų153134 Ų13480%0.80178%0.776SS**  cis-160.7177.4-13.2-114170.2000110.6
247L31Very low31.3Very low147 Ų147136.4 Ų136.477%0.7779%0.787SS**  trans-50.3160.8173.8-58.3160.5000115.3
248T31.2Very low30.9Very low142 Ų142137.5 Ų137.587%0.87179%0.793SS**  -175.7141.5111.5-72.80000114.4
249E28.3Very low31.1Very low143 Ų143136.6 Ų136.667%0.66879%0.79SS**  trans-29.3146.4172.3-93.1-160173.100124.7
250R28.3Very low30.9Very low192 Ų192139.2 Ų139.273%0.72579%0.792SS**  85.4109.3117.4-167.9-175-144.6125.3-2.2123
251S33.6Very low31Very low121 Ų121139.1 Ų139.185%0.84679%0.786SS**  34.9131.7127.1-45.60000123.3
252G29Very low31.1Very low70 Ų70140.2 Ų140.272%0.72279%0.793SS**  132.1159.9120.400000118.7
253S27.8Very low31.3Very low118 Ų118141.6 Ų141.683%0.82579%0.792SS**  trans64.2141.3171.9-67.90000117.8
254V31.4Very low31.3Very low122 Ų122138.3 Ų138.374%0.73979%0.789SS**  cis114.6111.514.71640000111.6
255F28.9Very low30.9Very low209 Ų209137.7 Ų137.792%0.91779%0.788SS**  trans65.3158.9164.2-82.8-127000118.6
256G27.4Very low30.5Very low77 Ų77138.9 Ų138.979%0.79479%0.788SS**  trans154.470.7173.600000115.8
257L28.9Very low30.6Very low165 Ų165138.5 Ų138.586%0.86479%0.786SS**  trans-73.6137.9170.7-64.6159.8000111.1
258Y26Very low31Very low216 Ų216141 Ų14185%0.84779%0.791SS**  178147.7111.6-141.4-110.1000112.2
259P32.7Very low31Very low105 Ų105141.3 Ų141.368%0.68279%0.787SS**PPolyproline II helixtrans-87.8156.9175.834.5-36.2000114
260H27.6Very low31.3Very low188 Ų188141.1 Ų141.187%0.8780%0.796SS**PPolyproline II helixtrans-102.4149.1169.3-164.2-79.4000111.5
261S31Very low31.4Very low90 Ų90137.3 Ų137.363%0.62980%0.799SS**PPolyproline II helixtrans-93.9160.8-176.768.80000114.3
262S31.1Very low31.4Very low124 Ų124137.1 Ų137.187%0.86780%0.798SS**  trans-148.1152.8148.259.10000108.9
263K33.3Very low31.5Very low202 Ų202141.9 Ų141.988%0.87881%0.805SS**  trans-116.4145.4-172.4-59.2173.3178178.20110.9
264A33.3Very low31.6Very low98 Ų98145.3 Ų145.381%0.8181%0.805SS**  trans-172.9125137.100000112.8
265S36.7Very low31.5Very low98 Ų98145.8 Ų145.869%0.68581%0.812SS**  trans12.8142.1135.7-173.60000120.9
266D32.3Very low31.4Very low137 Ų137143.1 Ų143.173%0.73380%0.803SS**  cis-164.9167-17.7-91.9-42.3000109.5
267D32.7Very low31.7Very low144 Ų144145.3 Ų145.377%0.7780%0.801SS**  trans42.794.7158.5-69.2-18.4000121
268K40.2Very low31.9Very low199 Ų199145.5 Ų145.587%0.86580%0.795SS**  -160125.8111.5-108.8150.8-171.5162.20115.8
269N29.6Very low31.9Very low149 Ų149139.6 Ų139.680%0.79779%0.785SS**  trans-67.8107.2179.547.9-19.4000115.7
270T34.7Very low32.2Very low139 Ų139142 Ų14285%0.85379%0.79SS**  trans-142.2141.2148.7-49.90000109.8
271S31.6Very low32.3Very low113 Ų113139 Ų13979%0.7979%0.785SS**  trans-77.1129.6-176.746.60000113.6
272S32.3Very low32.3Very low117 Ų117140.1 Ų140.182%0.81879%0.793SS**  trans-110.6124.6166.6540000110.3
273I33Very low32.4Very low170 Ų170140 Ų14087%0.87279%0.792SS**  trans-79.8133.3-178-71.5173.2000110.3
274K28.9Very low32.7Very low189 Ų189135.2 Ų135.282%0.82278%0.784SS**  trans-71.2147.4-179-169.5-176.1-170.4-178.90111.7
275C28.6Very low33.2Very low133 Ų133138 Ų13890%0.89978%0.784SS**  trans-170.8100.3141.7-108.60000111.3
276E27.1Very low33.2Very low153 Ų153138 Ų13872%0.71578%0.784SS**  trans-97.5154.9164.1-152.5-159.4127.900109.7K278E276-K278 IonicContact OE1-NZ 2.84Å; E276-K278 PolarHBondContact OE1-NZ 2.86Å
277T35Very low33.7Very low122 Ų122135.5 Ų135.575%0.74878%0.783SS**  trans-81.9175.7-169.4-35.40000113.4
278K31.9Very low34.1Very low169 Ų169137.5 Ų137.574%0.73578%0.784SS**  trans99.1138.8177.5-51.4142.1-160.1155.80111.5E276E276-K278 IonicContact OE1-NZ 2.84Å; E276-K278 PolarHBondContact OE1-NZ 2.86Å
279S27Very low34.4Very low92 Ų92134.4 Ų134.464%0.64378%0.782SS**  cis-162.6132.63.1125.40000114.3
280I39.2Very low35.1Very low156 Ų156134.6 Ų134.680%0.878%0.783SS**  trans68.4159.1144.8-45.9165.8000118.8
281V28.7Very low35.5Very low124 Ų124133.5 Ų133.575%0.75278%0.778SS**  trans9085.4167.7-162.70000118.4
282S30.4Very low35.9Very low115 Ų115134.6 Ų134.680%0.80478%0.78SS**  30.7102.6128.5-178.20000120.2
283S33.7Very low36.9Very low120 Ų120135.9 Ų135.984%0.83978%0.776SS**  -160.2167.7126.650.60000110.9
284S39.9Very low37.8Very low103 Ų103137 Ų13772%0.7277%0.774SS**  trans-91.5141.2-173.253.80000113.4
285I44.2Very low39.2Very low155 Ų155134.9 Ų134.980%0.79577%0.771SS**  -175.2130.5119-95152.4000110.1A287I285-A287 HydrophobicContact CG2-CB 3.88Å
286S37.2Very low40.2Very low98 Ų98135.6 Ų135.669%0.68577%0.766SS**  trans-107.174.7175.4168.90000109.6F288S286-F288 PolarHBondContact O-N 3.47Å
287A41.3Very low41.1Very low86 Ų86135.8 Ų135.871%0.71177%0.772SS**  trans-78.178.3-179.100000112I285I285-A287 HydrophobicContact CG2-CB 3.88Å
288F41.6Very low41.6Very low185 Ų185135.1 Ų135.181%0.81177%0.771SS**  trans-69.5132.4166.1-91.6-81.7000110.4S286 L290S286-F288 PolarHBondContact O-N 3.47Å; F288-L290 PolarHBondContact O-N 3.38Å
289T45.7Very low42.1Very low134 Ų134132.6 Ų132.682%0.82277%0.77SS**  trans-63.1114.8-170.251.90000112.9
290L45.2Very low42.9Very low153 Ų153135.6 Ų135.680%0.80178%0.777SS**  trans-82.6145.2160.1-65.9177.7000109.6F288 V292F288-L290 PolarHBondContact O-N 3.38Å; L290-V292 PolarHBondContact O-N 2.82Å
291P43.9Very low42.8Very low117 Ų117134.6 Ų134.676%0.7677%0.773SS**  trans-65.9122.4178.126.8-33.6000110.6I293P291-I293 PolarHBondContact O-N 3.47Å; P291-I293 VanDerWaalsContact O-N 3.14Å
292V39.5Very low43.6Very low135 Ų135137.7 Ų137.782%0.81878%0.779SS**  trans-69.8109.1-177-1800000110.2L290 K294L290-V292 PolarHBondContact O-N 2.82Å; V292-K294 PolarHBondContact O-N 2.77Å; V292-K294 VanDerWaalsContact O-N 3.15Å
293I53.5Low44.4Very low145 Ų145138 Ų13874%0.74478%0.779SS**  trans-71.6107168.6-60.6177.6000107.5P291 L295P291-I293 PolarHBondContact O-N 3.47Å; P291-I293 VanDerWaalsContact O-N 3.14Å; I293-L295 HydrophobicContact CG2-CD2 4.25Å; I293-L295 HydrophobicContact CG2-CG 4.37Å; I293-L295 PolarHBondContact O-N 2.92Å
294K52.1Low44.4Very low193 Ų193135.5 Ų135.584%0.83977%0.772SS**  trans-69.193.4-178.7-174.4179.5-178.5178.10110.7V292V292-K294 PolarHBondContact O-N 2.77Å; V292-K294 VanDerWaalsContact O-N 3.15Å
295L57.3Low44.4Very low145 Ų145138.6 Ų138.676%0.75978%0.779SS**  trans-89160.6167-62.2-177.9000110.8I293 N297I293-L295 HydrophobicContact CG2-CD2 4.25Å; I293-L295 HydrophobicContact CG2-CG 4.37Å; I293-L295 PolarHBondContact O-N 2.92Å; L295-N297 PolarHBondContact O-N 3.41Å
296N49.3Very low44.1Very low147 Ų147138 Ų13879%0.78678%0.777SS**  trans-76.8124.7-158.9-64.2-47000114.2C298N296-C298 PolarHBondContact O-N 3.4Å; N296-C298 VanDerWaalsContact O-N 3.15Å
297N47.4Very low43.9Very low158 Ų158139.5 Ų139.585%0.84578%0.778SS**  trans40.257.5145.6-15772.8000117.6L295L295-N297 PolarHBondContact O-N 3.41Å
298C44.1Very low43.6Very low108 Ų108141.7 Ų141.773%0.7378%0.776SS**  trans-106118.6160.7-67.50000109.2N296N296-C298 PolarHBondContact O-N 3.4Å; N296-C298 VanDerWaalsContact O-N 3.15Å
299V41.9Very low43.3Very low116 Ų116139.8 Ų139.870%0.70378%0.779SS**  trans-69.7135.5163174.70000107.6
300I43.8Very low42.9Very low155 Ų155141.2 Ų141.280%0.79578%0.777SS**  trans-128.9108.6169.8-60.9178000105.3
301D38.7Very low42.3Very low134 Ų134141.2 Ų141.272%0.71778%0.778SS**  trans-73142.7179.7-57.8-62.9000111P303D301-P303 WeakPolarHBondContact O-CD 3.38Å
302E44.2Very low41.9Very low189 Ų189141 Ų14188%0.88378%0.779SS**  trans-82.5122.5174.3-66.5-174.8128.800110.8G304E302-G304 PolarHBondContact O-N 2.94Å
303P47.5Very low41.5Very low122 Ų122142.9 Ų142.979%0.79278%0.779SS**  trans-78.1101.6162.530.8-30.4000109.3D301D301-P303 WeakPolarHBondContact O-CD 3.38Å
304G33.8Very low40.6Very low67 Ų67142.5 Ų142.569%0.69178%0.777SS**  trans-61.1144.4176.600000113.2E302E302-G304 PolarHBondContact O-N 2.94Å
305I41.3Very low39.4Very low169 Ų169140.3 Ų140.387%0.86778%0.78SS**  trans-103.274-17848.6163.6000112N307I305-N307 PolarHBondContact O-N 3.35Å
306D36.4Very low38Very low142 Ų142145 Ų14576%0.75979%0.787SS**  trans-82.596.7-179.8-82.3-48000114
307N33.2Very low36.9Very low130 Ų130143.3 Ų143.370%0.69579%0.787SS**  trans72163.1132.9-56.3-59.4000122.7I305I305-N307 PolarHBondContact O-N 3.35Å
308I35.7Very low35.9Very low132 Ų132145.8 Ų145.868%0.67779%0.785SS**  trans77.9107.8163.1-42.3-169.8000117.7E310I308-E310 HydrophobicContact CG2-CB 3.82Å; I308-E310 HydrophobicContact CG2-CG 3.8Å
309T34.4Very low35.1Very low144 Ų144145.7 Ų145.788%0.88379%0.785SS**  trans-109.896.5156-64.10000107.3
310E38.6Very low34.5Very low164 Ų164150.2 Ų150.277%0.76679%0.79SS**  trans-138.8112.3175.5-73-174.8-129.900112I308I308-E310 HydrophobicContact CG2-CB 3.82Å; I308-E310 HydrophobicContact CG2-CG 3.8Å
311D32.5Very low33.7Very low154 Ų154149.9 Ų149.982%0.82479%0.79SS**  trans5.5156.5152.3-62.9-15.4000124.5
312S34.3Very low33.4Very low113 Ų113151.7 Ų151.779%0.7980%0.799SS**  trans82.5106.6146.4-62.40000121.6
313E31.9Very low32.5Very low173 Ų173148.3 Ų148.381%0.80880%0.795SS**  trans14.7131.5131.4-68.2-166.3158.900122.2
314I33.4Very low31.7Very low138 Ų138149.4 Ų149.471%0.70879%0.792SS**  trans62.8104.2140.8-53.4162.3000117.5
315T27.6Very low31.5Very low147 Ų147152.7 Ų152.790%0.90279%0.793SS**  -162144.1116.2110000115.7
316R27.3Very low30.9Very low242 Ų242148.9 Ų148.991%0.91378%0.782SS**  trans-81.8128176.3158.5-153.8-94.7153.9-11.4111.1
317S26.3Very low30.7Very low112 Ų112150.1 Ų150.178%0.78379%0.788SS**  trans-165.9135.9144.2620000116.4
318R27.5Very low30.5Very low210 Ų210148 Ų14879%0.79279%0.788SS**  trans51.5106.2146.2-140.5175.3-150.9165.46.8119
319S27.4Very low30.3Very low106 Ų106149.3 Ų149.374%0.74180%0.795SS**  cis80116.437.291.30000117
320R29.2Very low30.6Very low211 Ų211147.5 Ų147.580%0.79679%0.786SS**  trans167138.9154.7-89.3-167.9-168.4114.2-3.3106.6
321N27.3Very low30.4Very low149 Ų149147.9 Ų147.980%0.79779%0.792SS**  cis-142.1170.30.2-92.6-25.7000111
322L31.4Very low30.3Very low172 Ų172145.4 Ų145.490%0.90179%0.787SS**  trans-109.7158.4-175.6-75154.5000113.5
323S25.8Very low29.9Very low117 Ų117147.3 Ų147.382%0.81879%0.788SS**  trans-172.7140.3148.8-96.90000109.3
324M31.3Very low29.8Very low146 Ų146144.7 Ų144.772%0.71978%0.784SS**  cis-134.5160.80.5-79.1-176.961.900111.3
325D28.6Very low29.7Very low135 Ų135144.7 Ų144.772%0.72279%0.786SS**  trans35.8150.9138-58.517.5000122.3
326S28.3Very low29.8Very low90 Ų90145.5 Ų145.563%0.62978%0.779SS**  cis-168.1149.3-25.453.70000106.5
327L32.9Very low29.8Very low167 Ų167137.9 Ų137.987%0.87476%0.763SS**  -176.816684.5-82.3168.4000110.1
328A28.1Very low29.9Very low86 Ų86143 Ų14371%0.71177%0.767SS**  trans-49144.4-172.600000116.7
329I33Very low30Very low159 Ų159142 Ų14282%0.81577%0.768SS**  cis68.3136.841.7-58.2177.5000112.2
330P39.3Very low31.2Very low106 Ų106142.5 Ų142.569%0.68877%0.769SS**  cis-122.9173.24.730.3-10.3000116.3
331L34.3Very low31.1Very low173 Ų173140.2 Ų140.291%0.90677%0.772SS**  trans-111.2147.7147.2-178.567.6000107.3
332S31.5Very low31.3Very low102 Ų102138.5 Ų138.571%0.71377%0.767SS**  trans-124.1152.1-175.5-60.50000113.1
333D25.4Very low31.2Very low152 Ų152137.6 Ų137.681%0.81377%0.768SS**  trans-83.1-174.1-169.1-77.8-64.5000116.8
334T30.5Very low31.2Very low118 Ų118139.9 Ų139.972%0.72477%0.768SS**  trans87.1143.4164.2750000115.7
335N30Very low31.2Very low138 Ų138139.7 Ų139.774%0.73877%0.77SS**  cis-133.3153.923.9-69-86.9000110.2
336E30.9Very low32Very low164 Ų164138.5 Ų138.577%0.76677%0.769SS**  49.5135.367.5-65.6-60.3127.800113.7
337S27.9Very low32.1Very low83 Ų83144.1 Ų144.158%0.5878%0.777SS**  cis-173.3-170.7-12.2-1540000111.1
338Y27.2Very low31.8Very low220 Ų220143.4 Ų143.486%0.86377%0.768SS**  trans80.7139.5163-75-80.4000124.2
339K29.8Very low31.8Very low188 Ų188144.9 Ų144.982%0.81776%0.764SS**  trans-119.3-179.3157.2-70.9178.6177.7176.50106.7
340P52.4Low31.8Very low117 Ų117142 Ų14276%0.7676%0.758SS**  -132.5-161-51.538.4-20.6000111.8
341L27.2Very low31.3Very low162 Ų162145.7 Ų145.785%0.84876%0.764SS**  trans91.9159151.4-156.157.7000119.2
342T32Very low31.3Very low114 Ų114142.1 Ų142.170%0.69975%0.749SS**  trans-95.9145-163.448.90000115.5
343T29Very low31.1Very low152 Ų152144 Ų14493%0.93375%0.751SS**  trans-159.5172.5143-130000110.5
344M26.1Very low31.6Very low165 Ų165140.7 Ų140.781%0.81375%0.745SS**  trans-153.6163.6-167.9-147.6-162.3179.500114.4
345L30.6Very low32.6Very low143 Ų143141 Ų14175%0.74975%0.749SS**  trans70.8167.8164-62.7174.2000117.3
346P46.7Very low32.5Very low109 Ų109139 Ų13971%0.70875%0.746SS**  cis-110.9-178.7-10.927.4-6.9000111.7
347R29.6Very low32.3Very low209 Ų209137.4 Ų137.479%0.78974%0.743SS**  cis-164.616929-133.5154.2-178.5158.12.4105.7
348H25.5Very low32.3Very low152 Ų152140.5 Ų140.570%0.70475%0.748SS**  cis-165.3178.4-2.6-136.1-157.1000105.1
349N30.1Very low32.4Very low117 Ų117137.7 Ų137.763%0.62674%0.741SS**  cis-160.6153.7-3.3-174.632.3000108.4
350S32.8Very low32.4Very low99 Ų99136.8 Ų136.869%0.69274%0.737SS**  trans57.6146.3169.155.90000117.4
351F28.7Very low31.3Very low183 Ų183136.2 Ų136.280%0.80374%0.735SS**  cis-148.7123.86.4-154.8-108.3000105.7
352V33.3Very low31.6Very low97 Ų97132.9 Ų132.959%0.58873%0.725SS**  56.3123.693.11700000112.5
353D28.5Very low31.6Very low141 Ų141134.9 Ų134.975%0.75473%0.729SS**  cis-160144.51.6-115.22.8000110.3
354A35.1Very low31.7Very low84 Ų84133 Ų13369%0.69472%0.717SS**  85.5179100.300000114.2
355P51.8Low32.1Very low123 Ų123132.6 Ų132.680%0.79972%0.718SS**  trans-134.5-160.1-132.141.3-18.8000115.8
356S28Very low32.2Very low98 Ų98129.6 Ų129.669%0.68572%0.721SS**  trans79.5123.9166.4-113.50000118.8
357D26.3Very low32.4Very low130 Ų130130 Ų13070%0.69572%0.724SS**  trans69.8149.8130.6-82.6-73.5000124.6
358Q29Very low32.7Very low147 Ų147125.1 Ų125.169%0.68772%0.722SS**  trans75.9123.1140.3-85.4177.245.200122.6
359F27.7Very low33.2Very low162 Ų162124.6 Ų124.671%0.71173%0.729SS**  trans80.6150.8134.3-88.7-54.2000120.6
360K30Very low33.4Very low169 Ų169122.6 Ų122.674%0.73574%0.737SS**  trans68103.5154.9-72.7158.5-167.3173.40113
361S30.5Very low33.7Very low104 Ų104127.3 Ų127.373%0.72775%0.745SS**  69.2147.979.983.10000111.6
362S32.3Very low33.9Very low92 Ų92125.4 Ų125.464%0.64374%0.742SS**  cis-169.6163.123-143.80000109.5
363M32.2Very low34.1Very low157 Ų157128.2 Ų128.277%0.77375%0.753SS**  trans65.7162.9152.8-53-101.797.100114.6
364T31.3Very low34.2Very low113 Ų113127 Ų12769%0.69376%0.755SS**  cis-147.1168-10.6-2.50000110.8
365L34.9Very low34.8Very low156 Ų156129.1 Ų129.182%0.81776%0.762SS**  trans-44.6150.1168.6-63.872.1000114.3
366G32.3Very low33.6Very low80 Ų80126.8 Ų126.883%0.82576%0.76SS**  trans-166.683.6164.800000113.5
367P51.5Low33.9Very low117 Ų117127.2 Ų127.276%0.7677%0.77SS**  trans-106.7142.5-173.737.4-30.6000115.1
368S35.1Very low34.2Very low106 Ų106125.8 Ų125.874%0.74178%0.776SS**  trans-167119.5159.142.80000108.7
369T36.5Very low34.5Very low142 Ų142130 Ų13087%0.87179%0.785SS**  74.1116.66364.30000115.1
370G34Very low34.8Very low75 Ų75131.7 Ų131.777%0.77379%0.793SS**  trans109.3101.1179.300000111.4
371K38.8Very low34.9Very low198 Ų198132.9 Ų132.986%0.86180%0.801SS**  cis67.489.847.7-162.6-159.3-173.1-174.50113.3
372L33.6Very low35.2Very low143 Ų143137.7 Ų137.775%0.74981%0.809SS**  172.5143.6128.2-92.2162.4000112.7
373L36Very low35.2Very low155 Ų155135.7 Ų135.781%0.81280%0.803SS**  trans55.4116.5152.8-57.9170.2000121.3
374S32.6Very low35.6Very low116 Ų116133.4 Ų133.481%0.81180%0.802SS**  trans-71.5149.3141-49.60000108.8
375P45.8Very low36Very low129 Ų129135.5 Ų135.584%0.83881%0.81SS**  -146.6179.565.640.9-23000115.8
376G28.4Very low36.1Very low74 Ų74134.3 Ų134.376%0.76381%0.809SS**  trans123.284151.900000118.5
377A34Very low36.6Very low107 Ų107135.2 Ų135.288%0.88480%0.803SS**  trans25.9118.7146.900000121.7
378A31.4Very low35.9Very low99 Ų99136.8 Ų136.882%0.81880%0.804SS**  trans-147.7107.914900000114.3
379R35.2Very low36Very low236 Ų236139.1 Ų139.189%0.89180%0.803SS**  trans51.595.5131.3-169.4-174.2-176.6177.11.6119.4
380K35.6Very low35.9Very low198 Ų198139.3 Ų139.386%0.86180%0.798SS**  -170.4115.3115.8-106176-174.9-179.10112.1
381Q30.9Very low36.2Very low193 Ų193142.6 Ų142.690%0.90280%0.796SS**  trans-100.5154.5143.5-77.6-169.3-9.800108.1
382F37Very low36Very low205 Ų205137.2 Ų137.290%0.89978%0.784SS**  trans-130.7146.9159.2-143.6-88000106.5
383G31.2Very low36Very low51 Ų51135.3 Ų135.353%0.52678%0.783SS.*  trans-156.7-154-173.400000111.7
384S41.3Very low35.9Very low108 Ų108135.9 Ų135.976%0.75578%0.781SS**  trans78134-160.686.20000113.2
385N40.1Very low35.9Very low158 Ų158135.3 Ų135.385%0.84578%0.777SS**  cis119.6108.1-4.8-68.2-4.3000113.5
386T37.5Very low35.5Very low131 Ų131138.5 Ų138.580%0.80478%0.778SS**  trans-145.6106.9146.239.70000106.6
387S41.3Very low35.9Very low99 Ų99140 Ų14069%0.69278%0.777SS**  53.4130.593.660.20000113.6
388L38.2Very low36.2Very low150 Ų150142.7 Ų142.779%0.78578%0.775SS**  cis-133.2142.936.6-73.4165000112.2
389H36Very low36.3Very low155 Ų155145 Ų14572%0.71877%0.774SS**  49.9138.997.9-71.4-112.4000116
390L35.7Very low37.1Very low146 Ų146141.8 Ų141.876%0.76477%0.773SS**  cis-127.714517.2-74.282.3000114.5
391L39.6Very low37Very low143 Ų143138.2 Ų138.275%0.74976%0.764SS**  trans36.8115.1136.7-56.5176.9000119.3
392S34.8Very low37.1Very low86 Ų86139.3 Ų139.360%0.60176%0.759SS**  72.912776.9-164.80000112.4
393S33.2Very low37.1Very low103 Ų103132.8 Ų132.872%0.7275%0.75SS**  -158.9138.258.9-64.10000117.6
394H33.4Very low37.8Very low166 Ų166136.9 Ų136.977%0.76977%0.768SS**  trans54.791.6141.7-67.4-65.8000121.9
395S33.8Very low37.4Very low104 Ų104137.4 Ų137.473%0.72777%0.771SS**  trans-30.2148.213944.60000119
396K35.9Very low37.3Very low197 Ų197136.1 Ų136.186%0.85777%0.769SS**  trans-164.7126.6138.3-97.6155-177.6-179.90106.7
397S38.2Very low37Very low106 Ų106138 Ų13874%0.74177%0.773SS**  cis84.985.535.783.20000114.7
398L39.2Very low36.6Very low162 Ų162138.6 Ų138.685%0.84877%0.773SS**  trans-162.9103.8161.3-132.5151.3000104
399D34.1Very low36.3Very low149 Ų149137.4 Ų137.480%0.79777%0.772SS**  76.4143.263.6-160.421.1000112.7
400L51.3Low36.1Very low167 Ų167138.2 Ų138.287%0.87478%0.776SS**  trans-111.2120.7-152.6-71.8165.4000114.1
401D33.5Very low36.3Very low124 Ų124135.2 Ų135.266%0.66377%0.772SS**  trans-151157.6145-162.223.7000113
402R33.9Very low36.1Very low215 Ų215135 Ų13581%0.81177%0.768SS**  trans30119.2158-83.7172.8179.984.80.2120.7
403G36.2Very low36.4Very low69 Ų69138.2 Ų138.271%0.71177%0.773SS**  111.4154126.900000116.2
404P47.3Very low36.5Very low137 Ų137142.9 Ų142.989%0.8978%0.775SS**  trans-84.3128.5-175.832.9-32.9000111.8
405S31.8Very low36.6Very low118 Ų118144.3 Ų144.383%0.82578%0.779SS**  trans-145.4138.5161.9-167.80000111.1
406T39.3Very low36.8Very low131 Ų131146.4 Ų146.480%0.80478%0.777SS**  trans-86.3127.1178.551.80000110.3
407L31.1Very low37.4Very low171 Ų171142.4 Ų142.490%0.89577%0.771SS**  trans-127.3150.8166.1-162.360.5000111.5
408T32.2Very low37.5Very low111 Ų111142.4 Ų142.468%0.68177%0.771SS**  trans-120.9156.3-156.847.60000112.6
409V31.6Very low37.8Very low126 Ų126145.4 Ų145.476%0.76477%0.771SS**  trans62.1116.3155.5173.40000117.3
410Q31.7Very low38.5Very low171 Ų171144.6 Ų144.680%0.79977%0.774SS**  -154.9141.8112.3-100.3-60.37.300109.7
411A39.3Very low38.1Very low84 Ų84147.1 Ų147.169%0.69477%0.772SS**  trans-136.775.4-176.700000110.6Q413A411-Q413 PolarHBondContact O-N 3.06Å
412E35.9Very low38.9Very low139 Ų139149.8 Ų149.865%0.6579%0.785SS**  trans-63.298.3179.6-176.173.5-160.500110.8R414E412-R414 PolarHBondContact O-N 2.94Å; E412-R414 IonicContact OE1-CZ 2.65Å; E412-R414 IonicContact OE1-NE 2.65Å; E412-R414 PolarHBondContact OE1-NE 2.81Å; E412-R414 IonicContact OE1-NH2 3.37Å; E412-R414 PolarHBondContact OE1-NH2 3.14Å
413Q41.2Very low39.3Very low153 Ų153145.7 Ų145.772%0.71578%0.78SS**  trans-72.6122.5171.1-80.9-166.7-13.700111A411A411-Q413 PolarHBondContact O-N 3.06Å
414R34.8Very low40Very low200 Ų200153.8 Ų153.876%0.75579%0.789SS**  trans-135.8104.8152.7-69.3-166.2-175.3169.710.7113.9E412E412-R414 PolarHBondContact O-N 2.94Å; E412-R414 IonicContact OE1-CZ 2.65Å; E412-R414 IonicContact OE1-NE 2.65Å; E412-R414 PolarHBondContact OE1-NE 2.81Å; E412-R414 IonicContact OE1-NH2 3.37Å; E412-R414 PolarHBondContact OE1-NH2 3.14Å
415K36.6Very low40Very low196 Ų196151.9 Ų151.985%0.85278%0.779SS**  trans76.2136.9152.3-56.3-176.3178.4-176.30117.4
416H38.6Very low40.9Very low149 Ų149152.8 Ų152.869%0.6977%0.774SS**  trans-103.9176-166.7-63.5-65.3000110
417P47.9Very low41.6Very low113 Ų113150.9 Ų150.973%0.73477%0.766SS**  cis-145.6-166.926.243.2-21.1000118.8
418S39.9Very low42.6Very low106 Ų106152.4 Ų152.474%0.74177%0.765SS**  trans66.659.7163.1700000120
419W46Very low43.7Very low224 Ų224150.3 Ų150.385%0.84877%0.766SS**  trans-139.9132.7145.1-79.285.5000109.6R421W419-R421 PolarHBondContact O-N 3.48Å; W419-R421 VanDerWaalsContact O-N 3.11Å
420P49.1Very low44.2Very low132 Ų132154.3 Ų154.386%0.85777%0.769SS**  trans-67.8107.1170.8-16.230.6000109.9
421R43.3Very low45.2Very low221 Ų221154.9 Ų154.983%0.83477%0.774SS**  trans-79.9120.2170.2-82.4-176.6160.986.1-3.1109W419 D423W419-R421 PolarHBondContact O-N 3.48Å; W419-R421 VanDerWaalsContact O-N 3.11Å; R421-D423 PolarHBondContact O-N 3.32Å; R421-D423 VanDerWaalsContact O-N 3.1Å
422L49.4Very low45.3Very low180 Ų180158.4 Ų158.494%0.94277%0.773SS**  trans-69.5102.5168.7-176.170.7000108.1
423D42.8Very low46Very low129 Ų129160.4 Ų160.469%0.6979%0.788SS**  trans-75.3136.6-169-152.3-3.7000112.1R421 S425R421-D423 PolarHBondContact O-N 3.32Å; R421-D423 VanDerWaalsContact O-N 3.1Å; D423-S425 PolarHBondContact O-N 2.9Å
424R50.6Low45.9Very low239 Ų239158.9 Ų158.990%0.90278%0.781SS**THydrogen-bonded Turntrans-83.924-167.2-155.6-178177.4-179.3-0.5112.9
425S47.8Very low46.1Very low97 Ų97156 Ų15668%0.67878%0.78SS**THydrogen-bonded Turntrans-100.8-12-168.351.40000114.5D423D423-S425 PolarHBondContact O-N 2.9Å
426N50.6Low46.3Very low136 Ų136154.9 Ų154.973%0.72778%0.775SS**  trans-12066.5176.7-164.92.7000113.5
427S53.7Low46.5Very low91 Ų91155 Ų15564%0.63678%0.776SS**  trans-96.315.1167.158.80000113.2G429S427-G429 PolarHBondContact O-N 3.37Å
428K52.6Low46.1Very low203 Ų203157.2 Ų157.288%0.88378%0.782SS**THydrogen-bonded Turntrans-80.953.2-173.9-161.3175.9-178.8178.60112.6
429G54.3Low46.3Very low68 Ų68157.6 Ų157.670%0.70178%0.782SS**THydrogen-bonded Turntrans-166.7-9-17800000116.4S427S427-G429 PolarHBondContact O-N 3.37Å
430Y42.8Very low45.6Very low210 Ų210154.9 Ų154.982%0.82478%0.781SS**  trans-105.5106.7179-66-79.2000110.7K432Y430-K432 PolarHBondContact O-N 2.92Å
431M52.8Low45.1Very low182 Ų182155.6 Ų155.690%0.89778%0.777SS**  trans-67129.8168.4-86.8-154.269.900110.4L433M431-L433 PolarHBondContact O-N 2.77Å
432K40.2Very low44.7Very low158 Ų158156.9 Ų156.969%0.68778%0.782SS**  trans-72.7105.1170-172.7-166.5-173.8-162.90108.4Y430 E434Y430-K432 PolarHBondContact O-N 2.92Å; K432-E434 VanDerWaalsContact CE-OE2 3.23Å; K432-E434 WeakPolarHBondContact CE-OE2 3.47Å; K432-E434 IonicContact NZ-OE1 2.59Å; K432-E434 IonicContact NZ-OE2 3.25Å; K432-E434 PolarHBondContact NZ-OE2 2.98Å; K432-E434 PolarHBondContact O-N 2.87Å
433L50.1Low44.2Very low181 Ų181156.3 Ų156.395%0.94878%0.779SS**  trans-81.9106.3170.7-146113.4000108.2M431M431-L433 PolarHBondContact O-N 2.77Å
434E40.8Very low43.8Very low122 Ų122158.1 Ų158.157%0.5779%0.788SS**  trans-130.8127.5176-179.2170.6-147.800108.9K432K432-E434 VanDerWaalsContact CE-OE2 3.23Å; K432-E434 WeakPolarHBondContact CE-OE2 3.47Å; K432-E434 IonicContact NZ-OE1 2.59Å; K432-E434 IonicContact NZ-OE2 3.25Å; K432-E434 PolarHBondContact NZ-OE2 2.98Å; K432-E434 PolarHBondContact O-N 2.87Å
435N39Very low43.1Very low140 Ų140152.5 Ų152.575%0.74978%0.78SS**  trans25.9107.4165.9-62.8-48.9000117.8
436K39.9Very low42.5Very low172 Ų172153.6 Ų153.675%0.74879%0.785SS**  -169.7123117.2-101.1165.5175.8-69.90113.1
437E42Very low41.8Very low150 Ų150155.6 Ų155.670%0.70179%0.79SS**  trans17.5121.8135.736.2-173.5175.600118.4
438D40.1Very low41Very low161 Ų161155.6 Ų155.686%0.86180%0.795SS**  trans-54.7146.3171.7-65.3-70.3000112.4
439P44.9Very low40.4Very low114 Ų114150.7 Ų150.774%0.7479%0.793SS**  -146.9148101.636.5-21.2000117
440M30.1Very low39.9Very low166 Ų166153 Ų15382%0.81879%0.793SS**  trans67.9116.6148.1-73.8-69.1160.500121.5
441D38.8Very low40.3Very low148 Ų148152.1 Ų152.179%0.79179%0.793SS**  trans26.999136.4-77.4-21.6000119
442R35.3Very low40.6Very low248 Ų248151.3 Ų151.394%0.93679%0.785SS**  trans-148.4105.2132.2-117.2167.9-169178.53.9113.9
443L40.1Very low41.1Very low167 Ų167150.8 Ų150.887%0.87479%0.789SS**  trans-13.5118.7159.4-65163.4000116.3
444L32.3Very low42.1Very low168 Ų168146.7 Ų146.788%0.8876%0.764SS**  trans-161.9117.6134.5-111.9166.1000110.6P446L444-P446 WeakPolarHBondContact O-CD 3.33Å
445V36.6Very low44Very low120 Ų120143.8 Ų143.873%0.72776%0.755SS**PPolyproline II helixtrans-80.2122179.8174.20000110Q447V445-Q447 PolarHBondContact O-N 3.03Å
446P35.2Very low45.6Very low121 Ų121143 Ų14379%0.78675%0.751SS**PPolyproline II helixtrans-67.7117.6166.3-16.632000109.4L444L444-P446 WeakPolarHBondContact O-CD 3.33Å
447Q36.4Very low47.2Very low178 Ų178142.4 Ų142.483%0.83275%0.748SS**PPolyproline II helixtrans-63.9148-179.6-71.6-173.6-11.300112V445V445-Q447 PolarHBondContact O-N 3.03Å
448A35.8Very low48.7Very low91 Ų91139.1 Ų139.175%0.75273%0.733SS**PPolyproline II helixtrans-57.8138.8173.100000111.2V450A448-V450 PolarHBondContact O-N 3.1Å
449A41.8Very low50.5Low100 Ų100135.9 Ų135.983%0.82671%0.711SS**  trans-60.6111-177.600000111.5K451A449-K451 PolarHBondContact O-N 3.39Å; A449-K451 VanDerWaalsContact O-N 3.08Å
450V43.2Very low51.8Low115 Ų115136 Ų13670%0.69771%0.705SS**  trans-64.4110.1179.4178.10000109.7A448 K452A448-V450 PolarHBondContact O-N 3.1Å; V450-K452 PolarHBondContact O-N 2.65Å
451K51.9Low53.7Low193 Ų193133.5 Ų133.584%0.83969%0.694SS**  trans-64.8101165.1-71.1-178.9178.7177.10108.5A449A449-K451 PolarHBondContact O-N 3.39Å; A449-K451 VanDerWaalsContact O-N 3.08Å
452K57.7Low55.4Low165 Ų165132.1 Ų132.172%0.71768%0.684SS**  trans-78.1120.7164.3-89.7-175.6171.8178.80109.1V450 F454V450-K452 PolarHBondContact O-N 2.65Å; K452-F454 VanDerWaalsContact O-CD2 3.23Å; K452-F454 WeakPolarHBondContact O-CD2 3.45Å; K452-F454 PolarHBondContact O-N 2.89Å
453D51.3Low56.9Low147 Ų147124.9 Ų124.979%0.78666%0.663SS**  trans-75.190.1174.5-76.4-53.3000110.9T455D453-T455 PolarHBondContact O-N 3.22Å
454F71.6Confident57.7Low95 Ų95120.7 Ų120.742%0.41765%0.648SS.*  trans-54.2128175.6-65.2-84.5000111.2K452 E458 K459K452-F454 VanDerWaalsContact O-CD2 3.23Å; K452-F454 WeakPolarHBondContact O-CD2 3.45Å; K452-F454 PolarHBondContact O-N 2.89Å; F454-E458 HydrophobicContact CD1-CG 4.08Å; F454-K459 HydrophobicContact CB-CG 4.04Å; F454-K459 WeakPolarHBondContact O-CE 3.36Å; F454-K459 PolarHBondContact O-NZ 2.94Å
455T79.5Confident58.8Low60 Ų60122.2 Ų122.237%0.36864%0.642SS.*  trans-71155.6-176.560.40000111.3D453 K457 E458 K459D453-T455 PolarHBondContact O-N 3.22Å; T455-K457 VanDerWaalsContact C-N 3.26Å; T455-K457 PolarHBondContact O-N 3.41Å; T455-K457 WeakPolarHBondContact OG1-CE 3.21Å; T455-K457 WeakPolarHBondContact OG1-CG 3.37Å; T455-E458 PolarHBondContact N-OE2 3.42Å; T455-E458 VanDerWaalsContact N-OE2 3.15Å; T455-E458 WeakPolarHBondContact O-CA 3.38Å; T455-E458 VanDerWaalsContact O-CB 3.3Å; T455-E458 WeakPolarHBondContact O-CB 3.28Å; T455-E458 PolarHBondContact O-N 2.93Å; T455-E458 WeakPolarHBondContact OG1-CB 3.43Å; T455-E458 PolarHBondContact OG1-OE2 2.98Å; T455-K459 PolarHBondContact O-N 2.93Å
456N72.4Confident59.6Low125 Ų125120 Ų12067%0.66863%0.632SS**Hα-helixtrans-59.5-34.4-176.3-86.5-9.5000113.5E458 L460N456-E458 VanDerWaalsContact C-N 3.27Å; N456-E458 PolarHBondContact O-N 3.39Å; N456-L460 WeakPolarHBondContact O-CB 3.41Å; N456-L460 PolarHBondContact O-N 3.11Å
457K75.1Confident60.2Low159 Ų159120.9 Ų120.969%0.69163%0.625SS**Hα-helixtrans-60.6-35.2171.957.9179.4-179.1178.80113T455 L461T455-K457 VanDerWaalsContact C-N 3.26Å; T455-K457 PolarHBondContact O-N 3.41Å; T455-K457 WeakPolarHBondContact OG1-CE 3.21Å; T455-K457 WeakPolarHBondContact OG1-CG 3.37Å; K457-L461 WeakPolarHBondContact O-CG 3.23Å; K457-L461 PolarHBondContact O-N 3.24Å
458E72.6Confident60.8Low81 Ų81118.3 Ų118.338%0.37962%0.617SS.*Hα-helixtrans-81.2-39.4-176.9-166174-168.300111.2F454 T455 N456 L460 L461 M462F454-E458 HydrophobicContact CD1-CG 4.08Å; T455-E458 PolarHBondContact N-OE2 3.42Å; T455-E458 VanDerWaalsContact N-OE2 3.15Å; T455-E458 WeakPolarHBondContact O-CA 3.38Å; T455-E458 VanDerWaalsContact O-CB 3.3Å; T455-E458 WeakPolarHBondContact O-CB 3.28Å; T455-E458 PolarHBondContact O-N 2.93Å; T455-E458 WeakPolarHBondContact OG1-CB 3.43Å; T455-E458 PolarHBondContact OG1-OE2 2.98Å; N456-E458 VanDerWaalsContact C-N 3.27Å; N456-E458 PolarHBondContact O-N 3.39Å; E458-L460 VanDerWaalsContact C-N 3.34Å; E458-L460 PolarHBondContact O-N 3Å; E458-L461 PolarHBondContact O-N 3.25Å; E458-M462 WeakPolarHBondContact O-CG 3.37Å; E458-M462 PolarHBondContact O-N 3.32Å
459K77.3Confident61.2Low92 Ų92120.6 Ų120.640%0.462%0.617SS.*Hα-helixtrans-59.3-42.7167.8-71.4168.6171.2144.10111.6F454 T455 M462 I463F454-K459 HydrophobicContact CB-CG 4.04Å; F454-K459 WeakPolarHBondContact O-CE 3.36Å; F454-K459 PolarHBondContact O-NZ 2.94Å; T455-K459 PolarHBondContact O-N 2.93Å; K459-M462 PolarHBondContact O-N 3.34Å; K459-I463 VanDerWaalsContact O-CG1 3.31Å; K459-I463 WeakPolarHBondContact O-CG1 3.28Å; K459-I463 PolarHBondContact O-N 2.95Å
460L72.3Confident61.6Low117 Ų117123.8 Ų123.861%0.61362%0.619SS**Hα-helixtrans-62.7-39.3173.4-85.8161.9000112.7N456 E458 I463 S464N456-L460 WeakPolarHBondContact O-CB 3.41Å; N456-L460 PolarHBondContact O-N 3.11Å; E458-L460 VanDerWaalsContact C-N 3.34Å; E458-L460 PolarHBondContact O-N 3Å; L460-I463 PolarHBondContact O-N 3.49Å; L460-S464 VanDerWaalsContact O-CB 3.31Å; L460-S464 WeakPolarHBondContact O-CB 3.44Å; L460-S464 PolarHBondContact O-N 2.96Å
461L71.3Confident61.5Low113 Ų113122.5 Ų122.559%0.59262%0.615SS**Hα-helixtrans-66.7-38.2174.6-76.6165000112.8K457 E458 R465K457-L461 WeakPolarHBondContact O-CG 3.23Å; K457-L461 PolarHBondContact O-N 3.24Å; E458-L461 PolarHBondContact O-N 3.25Å; L461-R465 WeakPolarHBondContact O-CB 3.4Å; L461-R465 PolarHBondContact O-N 2.84Å
462M73.1Confident61.2Low119 Ų119121.5 Ų121.559%0.58661%0.611SS**Hα-helixtrans-63.1-42.1173.3-71.7176.866.400112.1E458 K459 S466E458-M462 WeakPolarHBondContact O-CG 3.37Å; E458-M462 PolarHBondContact O-N 3.32Å; K459-M462 PolarHBondContact O-N 3.34Å; M462-S466 PolarHBondContact O-N 3.14Å
463I66.9Low60.6Low96 Ų96121.9 Ų121.949%0.49262%0.615SS.*Hα-helixtrans-67.8-48176.7-66.1163000110.3K459 L460 R465 S466 H467K459-I463 VanDerWaalsContact O-CG1 3.31Å; K459-I463 WeakPolarHBondContact O-CG1 3.28Å; K459-I463 PolarHBondContact O-N 2.95Å; L460-I463 PolarHBondContact O-N 3.49Å; I463-R465 VanDerWaalsContact C-N 3.3Å; I463-R465 PolarHBondContact O-N 3.33Å; I463-S466 PolarHBondContact O-N 3.15Å; I463-S466 PolarHBondContact O-OG 3.22Å; I463-H467 PolarHBondContact O-CD2 3.26Å
464S58.3Low60.2Low79 Ų79123 Ų12355%0.55262%0.616SS**Hα-helixtrans-57.5-41.3179.7-173.30000112.4L460 S466 H467L460-S464 VanDerWaalsContact O-CB 3.31Å; L460-S464 WeakPolarHBondContact O-CB 3.44Å; L460-S464 PolarHBondContact O-N 2.96Å; S464-S466 VanDerWaalsContact C-N 3.29Å; S464-S466 PolarHBondContact O-N 2.97Å; S464-H467 PolarHBondContact O-N 3.48Å
465R54.6Low58.9Low201 Ų201125.1 Ų125.176%0.75863%0.631SS**Hα-helixtrans-66-21.8175.3-85.9-176.7164.4152.4-3.4114.9L461 I463 N469L461-R465 WeakPolarHBondContact O-CB 3.4Å; L461-R465 PolarHBondContact O-N 2.84Å; I463-R465 VanDerWaalsContact C-N 3.3Å; I463-R465 PolarHBondContact O-N 3.33Å; R465-N469 PolarHBondContact O-ND2 3.28Å
466S52.3Low57.3Low73 Ų73128.9 Ų128.951%0.5165%0.645SS.*Hα-helixtrans-76.8-27.1179.576.40000112.6M462 I463 S464M462-S466 PolarHBondContact O-N 3.14Å; I463-S466 PolarHBondContact O-N 3.15Å; I463-S466 PolarHBondContact O-OG 3.22Å; S464-S466 VanDerWaalsContact C-N 3.29Å; S464-S466 PolarHBondContact O-N 2.97Å
467H49.8Very low55.9Low139 Ų139131.6 Ų131.664%0.64465%0.651SS**THydrogen-bonded Turntrans-83.2-8.3-175.8-63.8-60.8000115I463 S464I463-H467 PolarHBondContact O-CD2 3.26Å; S464-H467 PolarHBondContact O-N 3.48Å
468N47.8Very low54.5Low125 Ų125131.8 Ų131.867%0.66866%0.658SS**THydrogen-bonded Turntrans-95.59-171.6-133.549.6000114.9
469N44.2Very low53.2Low139 Ų139132.2 Ų132.274%0.74367%0.67SS**SBendtrans-10129.6-177.6-58-76.7000112.9R465R465-N469 PolarHBondContact O-ND2 3.28Å
470L50Low51.4Low166 Ų166134.2 Ų134.287%0.86969%0.686SS**SBendtrans-13921.5-172.6-129.8171000113.4
471S41.3Very low50Low89 Ų89136.3 Ų136.362%0.62270%0.697SS**SBendtrans-148.424.1179.774.30000114.4
472F44.9Very low48.8Very low172 Ų172138.6 Ų138.675%0.75471%0.709SS**SBendtrans-129.148.6-179-147.3-87.1000112.3
473E45.6Very low47.2Very low172 Ų172143.3 Ų143.380%0.80473%0.726SS**SBendtrans-139.311.8178.9-139.1173.9-179.900113.2
474H43.4Very low45.9Very low172 Ų172149.9 Ų149.980%0.79675%0.745SS**SBendtrans-126.9-15.1-176.3-86.9-32.2000117.3
475D43.3Very low44.9Very low138 Ų138149.1 Ų149.174%0.73875%0.75SS**SBendtrans-88.8-14-179.4-79.7-44.9000115F477D475-F477 VanDerWaalsContact C-N 3.3Å; D475-F477 PolarHBondContact O-N 3.15Å
476E46.8Very low44.4Very low140 Ų140146.8 Ų146.865%0.65476%0.758SS**THydrogen-bonded Turntrans-77.2-9.6-176.1-63.7-161.8152.700114.7
477F42.7Very low44Very low181 Ų181148.3 Ų148.379%0.79477%0.768SS**THydrogen-bonded Turntrans-92.8-3.8-172.6-80.5-76.5000116.1D475D475-F477 VanDerWaalsContact C-N 3.3Å; D475-F477 PolarHBondContact O-N 3.15Å
478L45.4Very low43.7Very low163 Ų163149.4 Ų149.485%0.85377%0.774SS**SBendtrans-108.2-7.5-176.1-75.4172.1000115.7
479S45.7Very low43.6Very low90 Ų90150.4 Ų150.463%0.62979%0.785SS**SBendtrans-91-16-170.154.90000116
480N40.4Very low43.5Very low135 Ų135153.7 Ų153.772%0.72279%0.787SS**SBendtrans-107.710-160.2-79.5-51.6000117
481N41.8Very low42.7Very low160 Ų160158.5 Ų158.586%0.85680%0.801SS**SBendtrans-128.228.8-173-100.2-64.7000116.7
482L45.5Very low42.8Very low161 Ų161162 Ų16284%0.84381%0.81SS**  trans-142.455.7171.7-151.976.1000115.4
483K40.9Very low42.6Very low219 Ų219161.5 Ų161.595%0.95281%0.813SS**  trans-9969.3165.1-162.2173-175177.30111.4
484R38.3Very low42.5Very low233 Ų233160.9 Ų160.988%0.87981%0.814SS**  trans-94.8128.9178.7-167.9179.7-163.8169.25.8110.9
485G37.5Very low42.4Very low63 Ų63160.2 Ų160.265%0.64982%0.815SS**  trans60.294.5156.500000117.6S487G485-S487 PolarHBondContact O-N 3.27Å
486T45.8Very low42.4Very low152 Ų152161.6 Ų161.693%0.93382%0.82SS**  trans-70.6106148.444.90000108.7
487S42.4Very low42.1Very low105 Ų105163.1 Ų163.173%0.73483%0.831SS**  trans-135.595.316959.70000110.4G485G485-S487 PolarHBondContact O-N 3.27Å
488E44.7Very low42Very low163 Ų163161.8 Ų161.876%0.76283%0.833SS**  trans-19.5124.8151.1177179.7-160.800115.3
489T44.4Very low41.8Very low146 Ų146161.7 Ų161.790%0.89683%0.832SS**  trans-133.1158.3136.346.90000109.1
490R43.8Very low41.5Very low207 Ų207167.7 Ų167.778%0.78185%0.849SS**  trans-125.1165.5-156.9-154.5-153.1177.8109.5-9.9110.5
491F31.9Very low41.5Very low268 Ų268170.6 Ų170.6100%1.17586%0.86SS**  trans-92.50147.6-84.7-80.1000108.8

Retrieved 491 of 491 residues in 71.4 ms (Link to these results)