A0A087YIE4_POEFO Loading...

INO80 complex subunit C

AlphaFold DB , UniProt , Accession A0A087YIE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 204 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
1M51.8Low55.4Low248 Ų248148.7 Ų148.7100%1.22285%0.849SS**  0110.70-66.7-170.7-172.200107.4
2A46.1Very low55.1Low106 Ų106152 Ų15288%0.87685%0.852SS**  trans-77.6122.9-173.300000110.5
3S59.8Low54.8Low113 Ų113149.5 Ų149.579%0.7985%0.846SS**  trans-87110.4178-175.40000109.6
4Q58.7Low53.8Low189 Ų189152.6 Ų152.688%0.88385%0.85SS**  trans-76.2139.5169.9-74.4-157.752.900110.8
5I65.9Low52.5Low150 Ų150152 Ų15277%0.76985%0.852SS**  trans-108.5125.1173.7-45170.3000107.2
6P58.3Low51.7Low116 Ų116151.1 Ų151.175%0.75385%0.852SS**  trans-81.4130.917729.8-31.3000111.9
7I59.6Low50.9Low159 Ų159149.2 Ų149.282%0.81585%0.851SS**  trans-88.8116.6173.2-61.6168000108.4
8T56.3Low50.4Low132 Ų132146.9 Ų146.981%0.8185%0.853SS**  trans-89.9114.6171.3-56.60000110
9V54.6Low49.7Very low131 Ų131144.6 Ų144.679%0.79485%0.853SS**PPolyproline II helixtrans-83.8120.9172.1174.80000109.2
10K49.4Very low49.3Very low200 Ų200142.3 Ų142.387%0.8785%0.85SS**PPolyproline II helixtrans-87.4118175.9-172.7174-179.3173.90109.8
11A48.6Very low48.8Very low92 Ų92141.3 Ų141.376%0.7685%0.845SS**PPolyproline II helixtrans-74.5138.7174.500000111.8
12Q52.4Low48.3Very low188 Ų188141.3 Ų141.388%0.87983%0.832SS**PPolyproline II helixtrans-84.6143.6169.6-77.3178-49.200110.7
13P51.4Low47.9Very low120 Ų120140 Ų14078%0.77983%0.828SS**PPolyproline II helixtrans-79.2139.517729.6-30.8000112.6
14Q40Very low47.4Very low192 Ų192144.8 Ų144.890%0.89784%0.835SS**PPolyproline II helixtrans-70.3130.8171.3-63.2-179.1-32.700110.3
15T34.9Very low46.8Very low144 Ų144145.6 Ų145.688%0.88384%0.835SS**PPolyproline II helixtrans-98.5122.6165.849.20000109.9
16T39.4Very low45.9Very low138 Ų138150.1 Ų150.185%0.84784%0.843SS**PPolyproline II helixtrans-70.8138.5-178.346.50000112.4
17S38.7Very low45.4Very low119 Ų119150.9 Ų150.983%0.83285%0.848SS**PPolyproline II helixtrans-69.4144.316866.50000112.3
18A40.7Very low44.4Very low108 Ų108146.8 Ų146.889%0.89385%0.845SS**  trans-139.5124.5153.100000109.6
19A36.9Very low43.5Very low103 Ų103146.2 Ų146.285%0.85185%0.846SS**  trans-115.7136.6175.900000109.5
20A41.8Very low43.3Very low97 Ų97146 Ų14680%0.80285%0.848SS**  trans153.1150.5148.300000110
21V39.4Very low42.5Very low123 Ų123141.2 Ų141.275%0.74585%0.845SS**  cis-170.3145.8-8.2138.50000105.8
22R41Very low42Very low248 Ų248143.3 Ų143.394%0.93685%0.848SS**  trans54.3130.2156.4-81.3169.6160.1-160.5-4.4122.1
23G38.8Very low41.2Very low78 Ų78140.5 Ų140.580%0.80485%0.85SS**  trans174.878.8150.200000113.9K25G23-K25 PolarHBondContact O-N 3.12Å
24K48.3Very low40.1Very low213 Ų213137.9 Ų137.993%0.92684%0.844SS**  trans-73.5115.9168.9-75.1-176.8175.4178.70109.8
25K45.5Very low39.6Very low206 Ų206134.8 Ų134.890%0.89684%0.838SS**  trans-145.6117.5147.7-74.9-161.6178.3-178.40109.6G23G23-K25 PolarHBondContact O-N 3.12Å
26R48.8Very low39.7Very low246 Ų246136.4 Ų136.493%0.92884%0.836SS**PPolyproline II helixtrans-75.1132.6169.9-68.9176.1170.7-179.8-4.8108.3
27P46.6Very low39.5Very low131 Ų131138.9 Ų138.985%0.85184%0.838SS**PPolyproline II helixtrans-76.9127.8159.528.3-27.3000109.1
28G38.5Very low39.1Very low74 Ų74137.7 Ų137.776%0.76384%0.835SS**PPolyproline II helixtrans-72.6151.3176.900000112.1
29S38.4Very low38.6Very low119 Ų119137.2 Ų137.283%0.83283%0.831SS**PPolyproline II helixtrans-57.6138.9174-51.10000111.6A31S29-A31 PolarHBondContact O-N 3.01Å
30P49.6Very low38.3Very low128 Ų128139 Ų13983%0.83183%0.831SS**PPolyproline II helixtrans-72.6121.7170.228.4-29.8000109.6
31A31.7Very low37.9Very low99 Ų99141.3 Ų141.382%0.81883%0.83SS**PPolyproline II helixtrans-71.7133.7165.900000109.5S29S29-A31 PolarHBondContact O-N 3.01Å
32V39.8Very low37.5Very low136 Ų136141 Ų14182%0.82483%0.834SS**PPolyproline II helixtrans-68.8134.6171.956.80000110.9
33S34.1Very low37Very low129 Ų129134.4 Ų134.490%0.90283%0.825SS**  trans-163.8134.2156.5-80.70000111.7
34G30Very low36.7Very low65 Ų65138.8 Ų138.867%0.6783%0.828SS**  trans130.580.5170.300000113.7
35V29.5Very low35.8Very low127 Ų127133.7 Ų133.777%0.7782%0.82SS**  78.6123.196.41710000110.6
36Q36Very low34.9Very low178 Ų178127.1 Ų127.183%0.83281%0.81SS**  cis-175.5145.342.6-135.1161.868.500110.3
37Q34.7Very low34.1Very low190 Ų190121.2 Ų121.289%0.88881%0.806SS**  trans156.7100.2142.9-91176.413.700108.9
38A30.5Very low33.4Very low94 Ų94124.6 Ų124.678%0.77781%0.808SS**  90.1105.979.800000113.2
39A30.3Very low33.1Very low97 Ų97131.2 Ų131.280%0.80282%0.816SS**  trans52.1121.715400000120.3
40V30.8Very low32.9Very low142 Ų142135.1 Ų135.186%0.86182%0.818SS**  -167.8140.296176.10000109.3
41N32.8Very low32.1Very low145 Ų145138.7 Ų138.778%0.77582%0.82SS**  trans-41146.4179.2-64.4-16.3000117.2
42S32.6Very low32.4Very low117 Ų117139 Ų13982%0.81881%0.814SS**  175.1126.3103.7-72.70000111.6
43S29.3Very low32.1Very low109 Ų109138.6 Ų138.676%0.76281%0.814SS**  trans-59139.9167.649.30000112.3
44I33.1Very low32Very low170 Ų170140.5 Ų140.587%0.87281%0.813SS**  trans-163141.1134.8-98.3144.5000110.6
45S29.8Very low31.9Very low106 Ų106143.3 Ų143.374%0.74182%0.817SS**  trans-62.9150.8-173.652.10000116.7
46G27Very low31.9Very low67 Ų67143.6 Ų143.669%0.69182%0.819SS**  88120.3111.500000120.2
47S30.2Very low31.6Very low122 Ų122140.9 Ų140.985%0.85382%0.815SS**  trans77.8108.9139.757.10000121.5
48K32.1Very low31.8Very low202 Ų202137.4 Ų137.488%0.87881%0.809SS**  trans-20.3132.5138.6-66.4170.7176.6172.90114.5
49K32.9Very low31.7Very low214 Ų214137.2 Ų137.293%0.9381%0.807SS**  -169.2133.9129.1-109.1169.7-175.1175.90113.3
50K33.6Very low31.5Very low201 Ų201138 Ų13887%0.87480%0.802SS**  trans-72.1152.9162.1-73.9-179.7168.8-177.50111.3
51K33.1Very low31.5Very low202 Ų202139.3 Ų139.388%0.87880%0.799SS**  trans165170.4139.4-97.2-179.2179.7-171.10109.7
52P37.9Very low31.3Very low107 Ų107138.8 Ų138.870%0.69580%0.801SS**  -128.7-177.9-60.535.7-16.3000111.4
53P34.4Very low31.2Very low126 Ų126141 Ų14182%0.81880%0.799SS**PPolyproline II helixtrans-92.4150.3168.235-28000112
54L32.2Very low31.4Very low170 Ų170143.2 Ų143.289%0.8980%0.8SS**PPolyproline II helixtrans-103146.1174.6-75.3166.9000111.7
55T26.8Very low31.2Very low124 Ų124140.7 Ų140.776%0.76179%0.793SS**PPolyproline II helixtrans-52.1160.8176.9-210000113.3
56V29.5Very low31.2Very low133 Ų133140.3 Ų140.381%0.80680%0.796SS**  -177.7138.782.9172.40000110.2
57T29.6Very low31.5Very low121 Ų121143 Ų14374%0.74280%0.798SS**  trans-95.2159.2163500000110.3
58P38.8Very low31.7Very low117 Ų117145.6 Ų145.676%0.7680%0.797SS**  -156.815482.836.5-13.9000119.5
59A27.9Very low31.4Very low90 Ų90142.6 Ų142.674%0.74480%0.796SS**  trans46.6137.6137.500000124.2
60T26.4Very low31.4Very low112 Ų112138 Ų13869%0.68779%0.786SS**  164128.2103.5-62.70000114.9
61Q31.6Very low31.3Very low170 Ų170135 Ų13579%0.79478%0.784SS**  trans58.6141.1152.6-65.11663800120.9
62T28.1Very low31.1Very low134 Ų134133.4 Ų133.482%0.82278%0.78SS**  -166.6158.467.5-61.60000113
63Q31.2Very low30.9Very low165 Ų165136.6 Ų136.677%0.77179%0.787SS**  trans-83.8-170.7-168.4-56.7174.10.600115.9
64I32.7Very low30.9Very low155 Ų155138.7 Ų138.780%0.79578%0.783SS**  trans100.7132.5156.186157.2000115.7
65T29Very low30.6Very low116 Ų116137.1 Ų137.171%0.71278%0.781SS**  cis-159141.88.3-82.60000108.8V67T65-V67 HydrophobicContact CG2-CG2 4.37Å
66A29.4Very low30.6Very low98 Ų98137.5 Ų137.581%0.8178%0.783SS**  trans-111.2137.3162.500000109
67V33.9Very low30.6Very low123 Ų123134.9 Ų134.975%0.74578%0.783SS**  trans-135.1111.8164.4155.30000107.1T65T65-V67 HydrophobicContact CG2-CG2 4.37Å
68E34.2Very low30.7Very low178 Ų178134.2 Ų134.283%0.83278%0.783SS**  trans-77.8148.4156-87-172.6129.400109.1
69T26.5Very low30.4Very low138 Ų138135.5 Ų135.585%0.84779%0.789SS**  trans-153.7118.5144.2-3.90000110.5
70V33.3Very low30.4Very low119 Ų119138.2 Ų138.272%0.72179%0.79SS**  trans-59.6140.5170.2161.70000111.3
71V30.1Very low30.6Very low136 Ų136138 Ų13882%0.82479%0.794SS**  -156.1111.4129.9170.10000108.6
72E29.9Very low30.5Very low170 Ų170136 Ų13679%0.79479%0.793SS**  trans-92.7128.2156.7-175.2-169.4153.600107
73M32.5Very low31.1Very low174 Ų174135.3 Ų135.386%0.85779%0.791SS**  trans-142.2122.6155.7-164.5151.3-174.800111.2
74K35Very low30.9Very low169 Ų169134.1 Ų134.174%0.73580%0.795SS**  trans-82.6133.5-179.4-172.4-178.4-171.8177.10109.6
75T26.7Very low31.2Very low137 Ų137132.9 Ų132.984%0.8480%0.795SS**  trans-154139.4149.7-15.70000111.9
76V26.9Very low31.4Very low133 Ų133133.2 Ų133.281%0.80680%0.797SS**  trans-74.7140.2-169.5159.10000112.2
77G29.5Very low31.9Very low78 Ų78136.9 Ų136.980%0.80480%0.797SS**  trans-148.599.116300000109.5
78S31Very low32.3Very low106 Ų106137.5 Ų137.574%0.74180%0.802SS**  trans-77.5133.2171.2174.60000109.7
79V32.1Very low33.1Very low145 Ų145135.4 Ų135.488%0.87980%0.801SS**  -175.7144.2124.8-84.80000110.8
80D28.7Very low34.8Very low146 Ų146135 Ų13578%0.78180%0.797SS**  trans-69.4148-173-179.842000115.2
81S30.8Very low36.3Very low108 Ų108138.4 Ų138.476%0.75580%0.803SS**  trans151.7122.5139.5-68.60000113.8
82T29Very low38.1Very low129 Ų129133.8 Ų133.879%0.79178%0.779SS**  trans-69.1-178.6177.654.90000114.9
83P41.2Very low40.2Very low118 Ų118128.5 Ų128.577%0.76676%0.76SS**  -114144.3-80.834.4-17.6000111.8
84T26.5Very low42Very low141 Ų141126.7 Ų126.787%0.86576%0.76SS**  trans-129.9118.9167.7-38.30000110.5T86T84-T86 PolarHBondContact O-N 2.92Å
85T39.3Very low44Very low128 Ų128126.4 Ų126.479%0.78576%0.76SS**  trans-38.6123.3164.5-56.90000112.7
86T33.4Very low46.3Very low123 Ų123126 Ų12676%0.75575%0.746SS**  trans177.3130.7135.738.60000112.3T84T84-T86 PolarHBondContact O-N 2.92Å
87E39.7Very low48.7Very low175 Ų175125.3 Ų125.382%0.81874%0.738SS**  trans60.6110.9145.9-62.4-168.4147.900121
88T41.5Very low50.9Low137 Ų137128.8 Ų128.884%0.8474%0.738SS**  -147.978.3128.133.70000108.9V90T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 3.29Å
89V52.2Low53.2Low133 Ų133130 Ų13081%0.80674%0.741SS**  trans-76.785.7164.5179.60000106.9K91V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.01Å
90V60.9Low55.4Low129 Ų129129.2 Ų129.278%0.78273%0.726SS**  trans-62.1101.2156.3178.40000104.9T88 A92T88-V90 VanDerWaalsContact C-N 3.26Å; T88-V90 PolarHBondContact O-N 3.29Å; V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 2.83Å
91K65.4Low57.5Low191 Ų191130.2 Ų130.283%0.8373%0.728SS**  trans-57.599.8179.5-162.1170.3-173170.50106.9V89V89-K91 VanDerWaalsContact C-N 3.26Å; V89-K91 PolarHBondContact O-N 3.01Å
92A67.9Low59.1Low39 Ų39130.7 Ų130.732%0.32272%0.718SS.*  trans-54.1145.3-179.800000108.2V90V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 2.83Å
93P73.6Confident60.8Low60 Ų60129 Ų12939%0.3971%0.712SS.*  trans-51.3142.6178.1-19.427.7000109.4F95 K96P93-F95 HydrophobicContact CB-CD1 3.57Å; P93-F95 HydrophobicContact CB-CD2 4.2Å; P93-F95 HydrophobicContact CB-CE1 3.18Å; P93-F95 HydrophobicContact CB-CE2 3.85Å; P93-F95 HydrophobicContact CB-CG 4.08Å; P93-F95 HydrophobicContact CB-CZ 3.33Å; P93-F95 HydrophobicContact CG-CE1 4.06Å; P93-F95 HydrophobicContact CG-CE2 4.17Å; P93-F95 HydrophobicContact CG-CZ 3.72Å; P93-F95 PolarHBondContact O-N 2.54Å; P93-K96 PolarHBondContact O-N 3.44Å
94P71.8Confident61.5Low135 Ų135125.4 Ų125.488%0.87770%0.696SS**THydrogen-bonded Turntrans-61.2-5.2-175.225.2-35.1000114.1
95F76.1Confident62.9Low164 Ų164125.1 Ų125.172%0.71969%0.688SS**THydrogen-bonded Turntrans-98.92.917461.2-102.3000114P93P93-F95 HydrophobicContact CB-CD1 3.57Å; P93-F95 HydrophobicContact CB-CD2 4.2Å; P93-F95 HydrophobicContact CB-CE1 3.18Å; P93-F95 HydrophobicContact CB-CE2 3.85Å; P93-F95 HydrophobicContact CB-CG 4.08Å; P93-F95 HydrophobicContact CB-CZ 3.33Å; P93-F95 HydrophobicContact CG-CE1 4.06Å; P93-F95 HydrophobicContact CG-CE2 4.17Å; P93-F95 HydrophobicContact CG-CZ 3.72Å; P93-F95 PolarHBondContact O-N 2.54Å
96K75.2Confident63.7Low129 Ų129122.2 Ų122.256%0.56168%0.683SS**  trans-119.287.9-177.3-147.178.7-177.9-178.10110.3P93 N98P93-K96 PolarHBondContact O-N 3.44Å; K96-N98 PolarHBondContact O-N 2.56Å
97D76.9Confident64.8Low117 Ų117117.4 Ų117.463%0.62666%0.658SS**  trans-71.1119.7172.4-69.1-20.5000109.8T99 F100D97-T99 PolarHBondContact O-N 3.34Å; D97-T99 VanDerWaalsContact O-N 3.14Å; D97-F100 HydrophobicContact CB-CB 3.86Å; D97-F100 VanDerWaalsContact O-CB 3.24Å; D97-F100 WeakPolarHBondContact O-CB 3.42Å; D97-F100 PolarHBondContact O-N 3.46Å
98N76.3Confident65.5Low151 Ų151115 Ų11581%0.80767%0.668SS**THydrogen-bonded Turntrans-63.8-18.5179.3-77.514.2000113.2K96K96-N98 PolarHBondContact O-N 2.56Å
99T78.9Confident66.1Low132 Ų132113.4 Ų113.481%0.8167%0.669SS**THydrogen-bonded Turntrans-94.5-3.1176.7-45.60000112.4D97 M101D97-T99 PolarHBondContact O-N 3.34Å; D97-T99 VanDerWaalsContact O-N 3.14Å; T99-M101 PolarHBondContact O-N 2.79Å
100F77.3Confident66.3Low129 Ų129109.4 Ų109.457%0.56665%0.65SS**  trans-68.896.5-178.4-177-99.9000110.8D97 H102D97-F100 HydrophobicContact CB-CB 3.86Å; D97-F100 VanDerWaalsContact O-CB 3.24Å; D97-F100 WeakPolarHBondContact O-CB 3.42Å; D97-F100 PolarHBondContact O-N 3.46Å; F100-H102 AromaticContact CE1-CE1 3.68Å; F100-H102 AromaticContact CE1-CG 3.9Å; F100-H102 AromaticContact CE1-ND1 3.67Å; F100-H102 AromaticContact CE1-NE2 3.92Å; F100-H102 PolarHBondContact O-N 3.28Å
101M74Confident66.1Low167 Ų167106 Ų10682%0.82364%0.641SS**  trans-78.2114.2167.6-60.2-133.780.400107.8T99 S103T99-M101 PolarHBondContact O-N 2.79Å; M101-S103 PolarHBondContact O-N 2.88Å
102H63.1Low65.9Low117 Ų117107.3 Ų107.354%0.54265%0.647SS.*  trans-54.7116.4165.7-97.5-62.9000108.1F100 G104F100-H102 AromaticContact CE1-CE1 3.68Å; F100-H102 AromaticContact CE1-CG 3.9Å; F100-H102 AromaticContact CE1-ND1 3.67Å; F100-H102 AromaticContact CE1-NE2 3.92Å; F100-H102 PolarHBondContact O-N 3.28Å; H102-G104 PolarHBondContact O-N 3.38Å
103S65.1Low65.7Low95 Ų95113.1 Ų113.166%0.66467%0.665SS**  trans-51.3111.7164.921.80000105.8M101 I105M101-S103 PolarHBondContact O-N 2.88Å; S103-I105 PolarHBondContact O-N 3.48Å
104G56.4Low65.3Low42 Ų42117.1 Ų117.143%0.43368%0.683SS.*SBendtrans-65.561.3-159.400000115.2H102H102-G104 PolarHBondContact O-N 3.38Å
105I55.6Low65.4Low135 Ų135118.3 Ų118.369%0.69267%0.67SS**SBendtrans-118.88.9179.3-74.4144.5000109.8S103S103-I105 PolarHBondContact O-N 3.48Å
106G56.2Low65.6Low66 Ų66115.4 Ų115.468%0.6867%0.666SS**SBendtrans165.236.5170.300000116.6
107G57.2Low66.1Low22 Ų22118.7 Ų118.723%0.22768%0.675CS.*  trans-86.4153.6170.200000111.6A109 A110G107-A109 PolarHBondContact O-N 3.27Å; G107-A110 WeakPolarHBondContact O-CB 3.37Å; G107-A110 PolarHBondContact O-N 2.97Å
108A53.4Low66.8Low125 Ų125118.8 Ų118.8100%1.03367%0.67SS**THydrogen-bonded Turntrans-59.2-7.1-17900000115.5
109A55.4Low67.6Low103 Ų103116.5 Ų116.585%0.85166%0.658SS**THydrogen-bonded Turntrans-112.39.5174.300000113.8G107 G111G107-A109 PolarHBondContact O-N 3.27Å; A109-G111 PolarHBondContact O-N 3.34Å; A109-G111 VanDerWaalsContact O-N 3.13Å
110A55.3Low68.2Low50 Ų50114 Ų11441%0.41364%0.638SS.*  trans-79.798175.100000109.2G107G107-A110 WeakPolarHBondContact O-CB 3.37Å; G107-A110 PolarHBondContact O-N 2.97Å
111G57.7Low68.9Low58 Ų58115.7 Ų115.760%0.59865%0.646SS**  trans-45.3149169.200000111.9A109 K113A109-G111 PolarHBondContact O-N 3.34Å; A109-G111 VanDerWaalsContact O-N 3.13Å; G111-K113 PolarHBondContact O-N 3.24Å
112K59.6Low69.8Low218 Ų218112.3 Ų112.395%0.94863%0.628SS**SBendtrans-46.154.4-172.6-142.9172.1-172-174.90116.5
113K65.8Low71.1Confident160 Ų160109.1 Ų109.170%0.69662%0.615SS**  trans-100.5118.1170.165.7-173.2176.7-177.90108.7G111 R115G111-K113 PolarHBondContact O-N 3.24Å; K113-R115 PolarHBondContact O-N 3.38Å; K113-R115 VanDerWaalsContact O-N 3.17Å
114N65.1Low72.3Confident145 Ų145107.3 Ų107.378%0.77560%0.597SS**  trans-56.9119.5-174.1-60.5-56.2000110.5T116N114-T116 PolarHBondContact O-N 3.33Å; N114-T116 PolarHBondContact O-OG1 3.19Å
115R73.7Confident74Confident159 Ų159108 Ų10860%0.660%0.598SS**  trans-54.3109.5169.8178.2178172.4-141-3108.4K113 W117K113-R115 PolarHBondContact O-N 3.38Å; K113-R115 VanDerWaalsContact O-N 3.17Å; R115-W117 VanDerWaalsContact CZ-CZ2 3.47Å; R115-W117 VanDerWaalsContact NH1-CZ2 3.29Å
116T80.3Confident75.6Confident104 Ų104105.8 Ų105.864%0.63859%0.588SS**PPolyproline II helixtrans-96.8120.7176.9-55.40000108.6N114 K118N114-T116 PolarHBondContact O-N 3.33Å; N114-T116 PolarHBondContact O-OG1 3.19Å; T116-K118 PolarHBondContact O-N 3.07Å
117W85.3Confident77.1Confident197 Ų197104 Ų10475%0.74656%0.562SS**PPolyproline II helixtrans-70.8122.5175.8-63.879.8000109.4R115R115-W117 VanDerWaalsContact CZ-CZ2 3.47Å; R115-W117 VanDerWaalsContact NH1-CZ2 3.29Å
118K90.4Very high78.5Confident119 Ų119113.4 Ų113.452%0.51759%0.59SS.*PPolyproline II helixtrans-79.8139.9175.3-62.2-62.3-176.3179.20109.7T116 Q122 I123T116-K118 PolarHBondContact O-N 3.07Å; K118-Q122 HydrophobicContact CB-CB 4.39Å; K118-I123 HydrophobicContact CB-CD1 4.29Å; K118-I123 HydrophobicContact CB-CG1 3.81Å
119N93.6Very high80.2Confident104 Ų104112.8 Ų112.856%0.55657%0.574SS**PPolyproline II helixtrans-75.8155.9173-177-95.7000110.5K121 Q122 I123N119-K121 PolarHBondContact O-N 2.87Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 PolarHBondContact OD1-N 3.15Å; N119-K121 VanDerWaalsContact OD1-N 3.08Å; N119-Q122 VanDerWaalsContact N-OE1 3.12Å; N119-Q122 WeakPolarHBondContact O-CA 3.37Å; N119-Q122 WeakPolarHBondContact O-CB 3.32Å; N119-Q122 PolarHBondContact O-N 3.22Å; N119-I123 PolarHBondContact O-N 2.98Å
120L90.9Very high81.5Confident78 Ų78112 Ų11241%0.40856%0.555SS.*Hα-helixtrans-47.7-45.4176.2176.856.3000112.6Q122 I123 L124 Y139L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 2.89Å; L120-I123 PolarHBondContact O-N 3.24Å; L120-L124 HydrophobicContact CD1-CD1 3.96Å; L120-L124 HydrophobicContact CD1-CD2 4.38Å; L120-L124 HydrophobicContact CD1-CG 3.9Å; L120-L124 HydrophobicContact CG-CD1 3.99Å; L120-L124 HydrophobicContact CG-CG 4.36Å; L120-L124 WeakPolarHBondContact O-CG 3.36Å; L120-L124 PolarHBondContact O-N 3.39Å; L120-Y139 HydrophobicContact CD1-CD1 3.29Å; L120-Y139 HydrophobicContact CD1-CE1 3.11Å; L120-Y139 HydrophobicContact CD1-CG 4.13Å; L120-Y139 HydrophobicContact CD2-CE1 4.38Å; L120-Y139 HydrophobicContact CG-CE1 4.35Å
121K93.4Very high82.9Confident165 Ų165115.8 Ų115.872%0.71758%0.575SS**Hα-helixtrans-61.3-36.8179.4-172.6177.8179.8-1780112.8N119 A125N119-K121 PolarHBondContact O-N 2.87Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 PolarHBondContact OD1-N 3.15Å; N119-K121 VanDerWaalsContact OD1-N 3.08Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.36Å; K121-A125 VanDerWaalsContact O-N 3.09Å
122Q93.2Very high84.1Confident96 Ų96118.9 Ų118.945%0.44957%0.569SS.*Hα-helixtrans-72.6-39.2178.2-66.2175.4-33.100111.2K118 N119 L120 A125 L126K118-Q122 HydrophobicContact CB-CB 4.39Å; N119-Q122 VanDerWaalsContact N-OE1 3.12Å; N119-Q122 WeakPolarHBondContact O-CA 3.37Å; N119-Q122 WeakPolarHBondContact O-CB 3.32Å; N119-Q122 PolarHBondContact O-N 3.22Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 2.89Å; Q122-A125 PolarHBondContact O-N 3.06Å; Q122-L126 WeakPolarHBondContact O-CB 3.43Å; Q122-L126 VanDerWaalsContact O-CG 3.24Å; Q122-L126 WeakPolarHBondContact O-CG 3.16Å; Q122-L126 PolarHBondContact O-N 2.74Å
123I89.8Confident85.2Confident51 Ų51115.7 Ų115.726%0.26256%0.555SS.*Hα-helixtrans-60.9-53.1175.7-65.5167.6000109.5K118 N119 L120 A125 L126 E127K118-I123 HydrophobicContact CB-CD1 4.29Å; K118-I123 HydrophobicContact CB-CG1 3.81Å; N119-I123 PolarHBondContact O-N 2.98Å; L120-I123 PolarHBondContact O-N 3.24Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.06Å; I123-L126 PolarHBondContact O-N 2.98Å; I123-L126 VanDerWaalsContact O-N 3.15Å; I123-E127 HydrophobicContact CG2-CG 4.24Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.48Å; I123-E127 WeakPolarHBondContact O-CB 3.37Å; I123-E127 VanDerWaalsContact O-CG 3.3Å; I123-E127 WeakPolarHBondContact O-CG 3.33Å; I123-E127 PolarHBondContact O-N 3.25Å
124L90.9Very high85.8Confident57 Ų57116.6 Ų116.630%0.29857%0.566SS.*Hα-helixtrans-59.5-38.2178.5-66.3175000112.6L120 R128 Y139L120-L124 HydrophobicContact CD1-CD1 3.96Å; L120-L124 HydrophobicContact CD1-CD2 4.38Å; L120-L124 HydrophobicContact CD1-CG 3.9Å; L120-L124 HydrophobicContact CG-CD1 3.99Å; L120-L124 HydrophobicContact CG-CG 4.36Å; L120-L124 WeakPolarHBondContact O-CG 3.36Å; L120-L124 PolarHBondContact O-N 3.39Å; L124-R128 VanDerWaalsContact O-CG 3.22Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 3.43Å; L124-Y139 HydrophobicContact CD2-CD1 4.39Å
125A90.7Very high86.6Confident55 Ų55114.4 Ų114.446%0.45556%0.562SS.*Hα-helixtrans-66.4-43.917700000112.2K121 Q122 I123 R128K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.36Å; K121-A125 VanDerWaalsContact O-N 3.09Å; Q122-A125 PolarHBondContact O-N 3.06Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.06Å; A125-R128 PolarHBondContact O-N 2.94Å
126L89.2Confident87.1Confident90 Ų90109.2 Ų109.247%0.47155%0.547SS..Hα-helixtrans-64.9-46.5177.6-72.1168.5000111Q122 I123 R128 T129 L130Q122-L126 WeakPolarHBondContact O-CB 3.43Å; Q122-L126 VanDerWaalsContact O-CG 3.24Å; Q122-L126 WeakPolarHBondContact O-CG 3.16Å; Q122-L126 PolarHBondContact O-N 2.74Å; I123-L126 PolarHBondContact O-N 2.98Å; I123-L126 VanDerWaalsContact O-N 3.15Å; L126-R128 VanDerWaalsContact C-N 3.27Å; L126-R128 PolarHBondContact O-N 3.42Å; L126-T129 PolarHBondContact O-N 3.39Å; L126-T129 PolarHBondContact O-OG1 3Å; L126-L130 WeakPolarHBondContact O-CD1 3.37Å; L126-L130 PolarHBondContact O-N 3.1Å
127E88.2Confident87.3Confident29 Ų29109.4 Ų109.414%0.13655%0.55CS..Hα-helixtrans-56-40.5178.7-75.8177.7171.500112I123 T129 L130 W132 N138 Y139I123-E127 HydrophobicContact CG2-CG 4.24Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.48Å; I123-E127 WeakPolarHBondContact O-CB 3.37Å; I123-E127 VanDerWaalsContact O-CG 3.3Å; I123-E127 WeakPolarHBondContact O-CG 3.33Å; I123-E127 PolarHBondContact O-N 3.25Å; E127-T129 PolarHBondContact O-N 3.42Å; E127-L130 PolarHBondContact O-N 2.91Å; E127-W132 PolarHBondContact O-NE1 3.25Å; E127-N138 VanDerWaalsContact CB-OD1 3.27Å; E127-N138 WeakPolarHBondContact CB-OD1 3.22Å; E127-N138 WeakPolarHBondContact CG-OD1 3.22Å; E127-N138 PolarHBondContact OE1-OD1 2.89Å; E127-N138 VanDerWaalsContact OE2-CG 3.25Å; E127-N138 PolarHBondContact OE2-ND2 3.23Å; E127-N138 VanDerWaalsContact OE2-ND2 3.07Å; E127-N138 PolarHBondContact OE2-OD1 3.29Å; E127-Y139 WeakPolarHBondContact OE1-CB 3.39Å; E127-Y139 PolarHBondContact OE1-N 3.22Å; E127-Y139 WeakPolarHBondContact OE2-CB 3.29Å; E127-Y139 PolarHBondContact OE2-N 3.16Å
128R87.2Confident87.5Confident218 Ų218101.4 Ų101.482%0.82352%0.521SS*.Hα-helixtrans-64.5-23.2177.1-71.7173.268.175.86.1114.7L124 A125 L126L124-R128 VanDerWaalsContact O-CG 3.22Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 3.43Å; A125-R128 PolarHBondContact O-N 2.94Å; L126-R128 VanDerWaalsContact C-N 3.27Å; L126-R128 PolarHBondContact O-N 3.42Å
129T88Confident87.4Confident113 Ų113101.4 Ų101.469%0.69352%0.519SS*.Hα-helixtrans-94.8-14-176.8600000113.5L126 E127L126-T129 PolarHBondContact O-N 3.39Å; L126-T129 PolarHBondContact O-OG1 3Å; E127-T129 PolarHBondContact O-N 3.42Å
130L84.3Confident87Confident87 Ų87105.6 Ų105.646%0.45553%0.528SS..SBendtrans-84.5144.2179.1-80.1146.8000109.8L126 E127 W132L126-L130 WeakPolarHBondContact O-CD1 3.37Å; L126-L130 PolarHBondContact O-N 3.1Å; E127-L130 PolarHBondContact O-N 2.91Å; L130-W132 HydrophobicContact CB-CG 4.37Å; L130-W132 VanDerWaalsContact CB-NE1 3.26Å; L130-W132 HydrophobicContact CD1-CZ2 4.04Å; L130-W132 PolarHBondContact O-N 2.86Å
131P84.3Confident86.8Confident128 Ų128106.7 Ų106.783%0.83153%0.534SS*.  trans-77.464.517933.8-36.2000111.2
132W82.2Confident86.5Confident124 Ų124103.8 Ų103.847%0.4753%0.526SS..  trans-71.7143.9176.3-63.5106.5000111.6E127 L130 D136E127-W132 PolarHBondContact O-NE1 3.25Å; L130-W132 HydrophobicContact CB-CG 4.37Å; L130-W132 VanDerWaalsContact CB-NE1 3.26Å; L130-W132 HydrophobicContact CD1-CZ2 4.04Å; L130-W132 PolarHBondContact O-N 2.86Å; W132-D136 HydrophobicContact CE3-CB 3.73Å; W132-D136 HydrophobicContact CZ3-CB 4.4Å
133K82.1Confident86.3Confident150 Ų150106.4 Ų106.465%0.65254%0.543SS*.  trans-79.6153.6166.1-58.5174.2-177.1173.30108.7S135 D136K133-S135 PolarHBondContact O-N 3.47Å; K133-S135 VanDerWaalsContact O-N 3.14Å; K133-D136 WeakPolarHBondContact CB-OD2 3.48Å; K133-D136 PolarHBondContact N-OD2 2.97Å; K133-D136 WeakPolarHBondContact O-CB 3.36Å; K133-D136 PolarHBondContact O-N 3.22Å
134L78.6Confident86.2Confident180 Ų180107.5 Ų107.594%0.94256%0.56SS**THydrogen-bonded Turntrans-62.2-21.7177.8-63.5170.4000113.2D136L134-D136 VanDerWaalsContact C-N 3.33Å
135S81.9Confident86.2Confident98 Ų98110.1 Ų110.169%0.68558%0.58SS**THydrogen-bonded Turntrans-77.5-17.6174.554.30000113.7K133K133-S135 PolarHBondContact O-N 3.47Å; K133-S135 VanDerWaalsContact O-N 3.14Å
136D85.3Confident86.2Confident51 Ų51112.9 Ų112.927%0.27359%0.594SS.*SBendtrans-78.9132.2-172.5-59.8-22000109.4W132 K133 L134 N138W132-D136 HydrophobicContact CE3-CB 3.73Å; W132-D136 HydrophobicContact CZ3-CB 4.4Å; K133-D136 WeakPolarHBondContact CB-OD2 3.48Å; K133-D136 PolarHBondContact N-OD2 2.97Å; K133-D136 WeakPolarHBondContact O-CB 3.36Å; K133-D136 PolarHBondContact O-N 3.22Å; L134-D136 VanDerWaalsContact C-N 3.33Å; D136-N138 PolarHBondContact O-N 3.26Å
137P84.9Confident86.4Confident108 Ų108113.2 Ų113.270%0.70160%0.603SS**  trans-68.1117.3-179.426.7-32.8000109.8
138N88.7Confident86.7Confident28 Ų28120 Ų12015%0.1564%0.639CS.*  trans-111.5154.9178.5-15845.9000110.5E127 D136 Y140 N141 I142E127-N138 VanDerWaalsContact CB-OD1 3.27Å; E127-N138 WeakPolarHBondContact CB-OD1 3.22Å; E127-N138 WeakPolarHBondContact CG-OD1 3.22Å; E127-N138 PolarHBondContact OE1-OD1 2.89Å; E127-N138 VanDerWaalsContact OE2-CG 3.25Å; E127-N138 PolarHBondContact OE2-ND2 3.23Å; E127-N138 VanDerWaalsContact OE2-ND2 3.07Å; E127-N138 PolarHBondContact OE2-OD1 3.29Å; D136-N138 PolarHBondContact O-N 3.26Å; N138-Y140 PolarHBondContact O-N 3.38Å; N138-N141 PolarHBondContact O-N 2.88Å; N138-I142 PolarHBondContact O-N 3.38Å
139Y87.4Confident87Confident120 Ų120118 Ų11847%0.47164%0.637SS.*THydrogen-bonded Turntrans-58.6-27.6-177.2-161.7-83.7000113.2L120 L124 E127 I142L120-Y139 HydrophobicContact CD1-CD1 3.29Å; L120-Y139 HydrophobicContact CD1-CE1 3.11Å; L120-Y139 HydrophobicContact CD1-CG 4.13Å; L120-Y139 HydrophobicContact CD2-CE1 4.38Å; L120-Y139 HydrophobicContact CG-CE1 4.35Å; L124-Y139 HydrophobicContact CD2-CD1 4.39Å; E127-Y139 WeakPolarHBondContact OE1-CB 3.39Å; E127-Y139 PolarHBondContact OE1-N 3.22Å; E127-Y139 WeakPolarHBondContact OE2-CB 3.29Å; E127-Y139 PolarHBondContact OE2-N 3.16Å; Y139-I142 HydrophobicContact CD2-CD1 4.07Å; Y139-I142 HydrophobicContact CE2-CD1 4.33Å; Y139-I142 HydrophobicContact CG-CD1 4.36Å; Y139-I142 WeakPolarHBondContact O-CG1 3.45Å
140Y85.9Confident87.2Confident191 Ų191118.6 Ų118.675%0.74964%0.643SS**THydrogen-bonded Turntrans-73.7-27.7175.3-175.8-106000114.2N138N138-Y140 PolarHBondContact O-N 3.38Å
141N86.8Confident87.6Confident101 Ų101118.7 Ų118.754%0.5466%0.656SS.*THydrogen-bonded Turntrans-100.2-5.4-171.1-63.9-17.9000113.1N138 D143N138-N141 PolarHBondContact O-N 2.88Å; N141-D143 PolarHBondContact O-N 3.09Å; N141-D143 VanDerWaalsContact O-N 3.15Å
142I86.8Confident88.1Confident105 Ų105120.6 Ų120.654%0.53865%0.651SS.*  trans-81.787.4176.751.8162.1000110.1N138 Y139N138-I142 PolarHBondContact O-N 3.38Å; Y139-I142 HydrophobicContact CD2-CD1 4.07Å; Y139-I142 HydrophobicContact CE2-CD1 4.33Å; Y139-I142 HydrophobicContact CG-CD1 4.36Å; Y139-I142 WeakPolarHBondContact O-CG1 3.45Å
143D88.8Confident88.7Confident150 Ų150120 Ų12080%0.80265%0.652SS**PPolyproline II helixtrans-103.4150.5168.1-160.78.8000110.9N141N141-D143 PolarHBondContact O-N 3.09Å; N141-D143 VanDerWaalsContact O-N 3.15Å
144A88.9Confident89.4Confident75 Ų75118.1 Ų118.162%0.6264%0.642SS**PPolyproline II helixtrans-68.2141.3172.600000109.4
145P89.7Confident90.2Very high111 Ų111109.8 Ų109.872%0.72160%0.599SS**PPolyproline II helixtrans-62.8153.7173.828.3-34.7000110.4
146P91.8Very high90.9Very high114 Ų114106.6 Ų106.674%0.7457%0.574SS**PPolyproline II helixtrans-60.7148.1176.627-35.1000111.2L148P146-L148 PolarHBondContact O-N 2.66Å
147S92.6Very high91.3Very high97 Ų97106.7 Ų106.768%0.67857%0.573SS**PPolyproline II helixtrans-66.7126178.2172.90000111.4K149S147-K149 PolarHBondContact OG-N 2.68Å; S147-K149 PolarHBondContact OG-O 2.75Å
148L93.8Very high91.8Very high170 Ų170104.2 Ų104.289%0.8956%0.559SS**  trans-83.6-11.5171.8-59.9179.6000113.3P146P146-L148 PolarHBondContact O-N 2.66Å
149K93.8Very high92.2Very high176 Ų176105 Ų10577%0.76557%0.574SS**SBendtrans-77.8132.8178.6-67.1179.6-179.1175.10109.7S147 A151S147-K149 PolarHBondContact OG-N 2.68Å; S147-K149 PolarHBondContact OG-O 2.75Å; K149-A151 PolarHBondContact O-N 3.01Å
150P93.4Very high92.6Very high126 Ų126104 Ų10482%0.81858%0.576SS**PPolyproline II helixtrans-62.1135175.825.9-33.1000110.1
151A92Very high93.1Very high90 Ų9098.8 Ų98.874%0.74457%0.566SS**PPolyproline II helixtrans-70.2133.2-179.300000111.1K149K149-A151 PolarHBondContact O-N 3.01Å
152K94.3Very high93.6Very high167 Ų16794.3 Ų94.373%0.72654%0.543SS*.PPolyproline II helixtrans-67.5141.6170.2-68-177.8-179.3179.90109.9Y154K152-Y154 HydrophobicContact CB-CE2 3.8Å
153K95.4Very high94Very high112 Ų11295.7 Ų95.749%0.48755%0.551SS.*  trans-106.4134.4-178-66.3-175.6-174.6174.20109.6A162K153-A162 PolarHBondContact O-N 3.34Å
154Y96.6Very high94.3Very high111 Ų11195.3 Ų95.344%0.43554%0.54SS..BIsolated β-bridgetrans-124.7153.3178.1-60.8-84.1000109.4K152 G159 L160 P161 A162 R172K152-Y154 HydrophobicContact CB-CE2 3.8Å; Y154-G159 VanDerWaalsContact CD1-O 3.31Å; Y154-G159 WeakPolarHBondContact CD1-O 3.38Å; Y154-L160 CarbonylContact C-O 3.53Å; Y154-L160 WeakPolarHBondContact CA-O 3.35Å; Y154-P161 HydrophobicContact CE1-CG 4.38Å; Y154-A162 VanDerWaalsContact C-CB 3.47Å; Y154-R172 VanDerWaalsContact O-CB 3.29Å; Y154-R172 WeakPolarHBondContact O-CB 3.22Å; Y154-R172 WeakPolarHBondContact O-CD 3.46Å
155S96.5Very high94.6Very high5 Ų594.7 Ų94.74%0.03553%0.528CS..  trans-64.4137.9175.1173.60000109.1I157 S158 G159 L160 R172 E178S155-I157 PolarHBondContact O-N 3.38Å; S155-I157 PolarHBondContact OG-N 3.16Å; S155-S158 WeakPolarHBondContact CB-OG 3.4Å; S155-S158 PolarHBondContact OG-N 2.86Å; S155-S158 PolarHBondContact OG-OG 3.41Å; S155-G159 VanDerWaalsContact O-CA 3.31Å; S155-G159 WeakPolarHBondContact O-CA 3.4Å; S155-G159 PolarHBondContact O-N 3.26Å; S155-G159 VanDerWaalsContact O-N 3.11Å; S155-L160 PolarHBondContact N-O 3.28Å; S155-R172 WeakPolarHBondContact CA-O 3.41Å; S155-R172 PolarHBondContact OG-O 3.44Å; S155-E178 PolarHBondContact OG-OE2 3.47Å
156D95.3Very high94.8Very high30 Ų3089.4 Ų89.416%0.1649%0.494CS..THydrogen-bonded Turntrans-76.9-12.9178.5-59.2-49.4000111.9L171 R172 Y193 R197D156-L171 HydrophobicContact CB-CD2 4.1Å; D156-L171 VanDerWaalsContact OD2-CA 3.29Å; D156-L171 WeakPolarHBondContact OD2-CA 3.05Å; D156-R172 PolarHBondContact N-O 3.42Å; D156-R172 PolarHBondContact OD2-N 3.32Å; D156-Y193 WeakPolarHBondContact O-CD1 3.24Å; D156-R197 IonicContact OD1-CZ 2.54Å; D156-R197 IonicContact OD1-NE 3.87Å; D156-R197 IonicContact OD1-NH1 3.52Å; D156-R197 PolarHBondContact OD1-NH1 3.14Å; D156-R197 IonicContact OD2-CZ 3.3Å; D156-R197 IonicContact OD2-NH1 3.54Å; D156-R197 PolarHBondContact OD2-NH1 3.37Å; D156-R197 IonicContact OD2-NH2 3.58Å
157I94.9Very high94.8Very high53 Ų5388.8 Ų88.827%0.27249%0.489SS..THydrogen-bonded Turntrans-98.5-57.9-179.9-54.3-57000111S155 E178 Y181 I182 L185 Y193S155-I157 PolarHBondContact O-N 3.38Å; S155-I157 PolarHBondContact OG-N 3.16Å; I157-E178 HydrophobicContact CB-CG 4.45Å; I157-Y181 HydrophobicContact CD1-CD1 4.34Å; I157-Y181 HydrophobicContact CD1-CE1 4.18Å; I157-Y181 HydrophobicContact CG1-CD1 4.48Å; I157-Y181 HydrophobicContact CG2-CD1 4.38Å; I157-Y181 HydrophobicContact CG2-CE1 4.43Å; I157-I182 HydrophobicContact CG1-CD1 4.43Å; I157-I182 HydrophobicContact CG1-CG1 4.27Å; I157-L185 HydrophobicContact CD1-CD1 4.21Å; I157-Y193 HydrophobicContact CD1-CD2 4.24Å; I157-Y193 HydrophobicContact CD1-CE1 4.21Å; I157-Y193 HydrophobicContact CD1-CE2 3.74Å
158S95.3Very high94.8Very high56 Ų5690.9 Ų90.939%0.39249%0.489SS..THydrogen-bonded Turntrans-95.8-17.9-174.959.60000114.9S155 L160 E178S155-S158 WeakPolarHBondContact CB-OG 3.4Å; S155-S158 PolarHBondContact OG-N 2.86Å; S155-S158 PolarHBondContact OG-OG 3.41Å; S158-L160 PolarHBondContact O-N 3.47Å; S158-L160 PolarHBondContact OG-N 3.45Å; S158-E178 WeakPolarHBondContact CB-OE1 3.38Å; S158-E178 PolarHBondContact OG-OE1 2.85Å
159G95.5Very high94.8Very high45 Ų4583.8 Ų83.846%0.46445%0.452SS..  trans73.44.3-172.800000114.8Y154 S155Y154-G159 VanDerWaalsContact CD1-O 3.31Å; Y154-G159 WeakPolarHBondContact CD1-O 3.38Å; S155-G159 VanDerWaalsContact O-CA 3.31Å; S155-G159 WeakPolarHBondContact O-CA 3.4Å; S155-G159 PolarHBondContact O-N 3.26Å; S155-G159 VanDerWaalsContact O-N 3.11Å
160L96.7Very high94.8Very high98 Ų9880.6 Ų80.651%0.51344%0.439SS..SBendtrans-72.2159.9173.5-65.4179.6000111.5Y154 S155 S158 A162 T174Y154-L160 CarbonylContact C-O 3.53Å; Y154-L160 WeakPolarHBondContact CA-O 3.35Å; S155-L160 PolarHBondContact N-O 3.28Å; S158-L160 PolarHBondContact O-N 3.47Å; S158-L160 PolarHBondContact OG-N 3.45Å; L160-A162 PolarHBondContact O-N 3.44Å; L160-T174 HydrophobicContact CB-CG2 4.42Å
161P97Very high94.9Very high83 Ų8374.6 Ų74.654%0.53940%0.4SS..BIsolated β-bridgetrans-55123.6174.2-24.834.7000111.2Y154 T174Y154-P161 HydrophobicContact CE1-CG 4.38Å; P161-T174 WeakPolarHBondContact O-CG2 3.08Å; P161-T174 PolarHBondContact O-OG1 3.24Å
162A96.3Very high95.1Very high7 Ų773 Ų736%0.05837%0.374CS..  trans-105.9122.3-177.200000110.9K153 Y154 L160 R172 F173K153-A162 PolarHBondContact O-N 3.34Å; Y154-A162 VanDerWaalsContact C-CB 3.47Å; L160-A162 PolarHBondContact O-N 3.44Å; A162-R172 HydrophobicContact CB-CB 3.84Å; A162-F173 WeakPolarHBondContact CB-O 3.39Å
163N94.9Very high95.2Very high134 Ų13466.3 Ų66.372%0.71735%0.345SS*.  trans-89.4-20.2175.1-64.6-23.4000111.9
164Y95.3Very high95.3Very high142 Ų14263.4 Ų63.456%0.55734%0.337SS*.EExtended strand (participates in β ladder)trans-122.3158.2-171-57.5-70.1000112.7R172 F173Y164-R172 WeakPolarHBondContact O-CA 3.29Å; Y164-F173 VanDerWaalsContact CB-CZ 3.46Å; Y164-F173 HydrophobicContact CD2-CE2 4.27Å; Y164-F173 HydrophobicContact CG-CE2 4.26Å; Y164-F173 HydrophobicContact CG-CZ 4.27Å; Y164-F173 PolarHBondContact O-N 3.39Å
165T95.8Very high95.3Very high61 Ų6160.1 Ų60.137%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-141.4130.4176.4-55.50000108.3L171 R172T165-L171 CarbonylContact C-O 3.45Å; T165-L171 WeakPolarHBondContact CA-O 3.32Å; T165-R172 HydrophobicContact CG2-CG 4.35Å
166D94.1Very high95.3Very high1 Ų164.5 Ų64.51%0.00536%0.361CS..  trans-70.8125.3177.6169.58.6000110.2Q168 T169 K170 L171 F173 I182 R183D166-Q168 VanDerWaalsContact C-N 3.26Å; D166-Q168 PolarHBondContact O-N 3.18Å; D166-Q168 PolarHBondContact OD1-N 2.76Å; D166-T169 VanDerWaalsContact CG-OG1 3.28Å; D166-T169 WeakPolarHBondContact OD2-CB 3.47Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.27Å; D166-T169 PolarHBondContact OD2-N 2.76Å; D166-T169 PolarHBondContact OD2-OG1 2.98Å; D166-K170 WeakPolarHBondContact O-CA 3.46Å; D166-K170 PolarHBondContact O-N 2.7Å; D166-L171 PolarHBondContact N-O 3.43Å; D166-F173 HydrophobicContact CB-CD1 4.45Å; D166-F173 HydrophobicContact CB-CE1 4.26Å; D166-I182 WeakPolarHBondContact OD2-CG2 3.43Å; D166-R183 IonicContact OD1-CZ 2.66Å; D166-R183 IonicContact OD1-NH1 3.91Å; D166-R183 IonicContact OD1-NH2 2.68Å; D166-R183 PolarHBondContact OD1-NH2 2.56Å; D166-R183 IonicContact OD2-CZ 3.42Å; D166-R183 VanDerWaalsContact OD2-CZ 3.3Å; D166-R183 IonicContact OD2-NE 3.75Å; D166-R183 IonicContact OD2-NH2 2.83Å; D166-R183 PolarHBondContact OD2-NH2 3.27Å
167P92.4Very high95.3Very high100 Ų10070.5 Ų70.565%0.64939%0.388SS*.THydrogen-bonded Turntrans-64.5-27.9-176.125.2-34.8000113.9K170P167-K170 WeakPolarHBondContact O-CE 3.47Å; P167-K170 PolarHBondContact O-NZ 3.32Å
168Q91.1Very high95.4Very high142 Ų14269 Ų6966%0.66438%0.38SS*.THydrogen-bonded Turntrans-91.4-45.8-174.4161.6-178.74.900112.3D166 R183D166-Q168 VanDerWaalsContact C-N 3.26Å; D166-Q168 PolarHBondContact O-N 3.18Å; D166-Q168 PolarHBondContact OD1-N 2.76Å; Q168-R183 VanDerWaalsContact CB-NH2 3.29Å
169T93.3Very high95.4Very high20 Ų2070 Ų7012%0.12338%0.377CS..THydrogen-bonded Turntrans-89.1-16.1177.165.70000113.8D166 L171 I182 V190 L194D166-T169 VanDerWaalsContact CG-OG1 3.28Å; D166-T169 WeakPolarHBondContact OD2-CB 3.47Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.27Å; D166-T169 PolarHBondContact OD2-N 2.76Å; D166-T169 PolarHBondContact OD2-OG1 2.98Å; T169-L171 PolarHBondContact O-N 3.44Å; T169-L171 VanDerWaalsContact O-N 3.15Å; T169-L171 WeakPolarHBondContact OG1-CB 3.47Å; T169-L171 PolarHBondContact OG1-N 3.45Å; T169-I182 HydrophobicContact CG2-CG2 3.89Å; T169-I182 WeakPolarHBondContact OG1-CG2 3.34Å; T169-V190 HydrophobicContact CG2-CG1 4.07Å; T169-V190 HydrophobicContact CG2-CG2 3.92Å; T169-L194 WeakPolarHBondContact O-CD1 3.48Å
170K94.3Very high95.5Very high110 Ų11071.3 Ų71.348%0.47838%0.379SS..  trans59.812.4-169.3-53.9-57.3-171.2-159.20114.7D166 P167 L194 R197D166-K170 WeakPolarHBondContact O-CA 3.46Å; D166-K170 PolarHBondContact O-N 2.7Å; P167-K170 WeakPolarHBondContact O-CE 3.47Å; P167-K170 PolarHBondContact O-NZ 3.32Å; K170-L194 HydrophobicContact CB-CD2 4.08Å; K170-R197 PolarHBondContact O-NH2 3.11Å
171L95.5Very high95.5Very high0 Ų071.8 Ų71.80%038%0.375CS..  trans-73.9142.7171.7-63.8-175.4000110.9D156 T165 D166 T169 I182 L185 V190 Y193 L194D156-L171 HydrophobicContact CB-CD2 4.1Å; D156-L171 VanDerWaalsContact OD2-CA 3.29Å; D156-L171 WeakPolarHBondContact OD2-CA 3.05Å; T165-L171 CarbonylContact C-O 3.45Å; T165-L171 WeakPolarHBondContact CA-O 3.32Å; D166-L171 PolarHBondContact N-O 3.43Å; T169-L171 PolarHBondContact O-N 3.44Å; T169-L171 VanDerWaalsContact O-N 3.15Å; T169-L171 WeakPolarHBondContact OG1-CB 3.47Å; T169-L171 PolarHBondContact OG1-N 3.45Å; L171-I182 HydrophobicContact CB-CD1 4.01Å; L171-I182 HydrophobicContact CB-CG1 4.43Å; L171-I182 HydrophobicContact CB-CG2 4.32Å; L171-I182 HydrophobicContact CD1-CG1 4.1Å; L171-I182 HydrophobicContact CD1-CG2 4.07Å; L171-L185 HydrophobicContact CD1-CD1 4.23Å; L171-V190 HydrophobicContact CD1-CB 4.47Å; L171-V190 HydrophobicContact CD1-CG1 4.28Å; L171-V190 HydrophobicContact CD1-CG2 4.1Å; L171-V190 HydrophobicContact CD2-CG1 4.49Å; L171-V190 HydrophobicContact CG-CG1 4.19Å; L171-Y193 HydrophobicContact CD1-CD2 4.29Å; L171-L194 HydrophobicContact CD2-CD2 3.86Å; L171-L194 HydrophobicContact CD2-CG 3.92Å
172R96.6Very high95.4Very high56 Ų5667.9 Ų67.921%0.21135%0.35CS..EExtended strand (participates in β ladder)trans-92.5138.7176-70.4174.6-167.5165.83.1109Y154 S155 D156 A162 Y164 T165 R197Y154-R172 VanDerWaalsContact O-CB 3.29Å; Y154-R172 WeakPolarHBondContact O-CB 3.22Å; Y154-R172 WeakPolarHBondContact O-CD 3.46Å; S155-R172 WeakPolarHBondContact CA-O 3.41Å; S155-R172 PolarHBondContact OG-O 3.44Å; D156-R172 PolarHBondContact N-O 3.42Å; D156-R172 PolarHBondContact OD2-N 3.32Å; A162-R172 HydrophobicContact CB-CB 3.84Å; Y164-R172 WeakPolarHBondContact O-CA 3.29Å; T165-R172 HydrophobicContact CG2-CG 4.35Å; R172-R197 VanDerWaalsContact NE-NH1 3.18Å
173F96.8Very high95.3Very high26 Ų2671.9 Ų71.911%0.11436%0.363CS..EExtended strand (participates in β ladder)trans-141.8160.6-179.267-89.8000111.5A162 Y164 D166 S175 E178 F179 I182A162-F173 WeakPolarHBondContact CB-O 3.39Å; Y164-F173 VanDerWaalsContact CB-CZ 3.46Å; Y164-F173 HydrophobicContact CD2-CE2 4.27Å; Y164-F173 HydrophobicContact CG-CE2 4.26Å; Y164-F173 HydrophobicContact CG-CZ 4.27Å; Y164-F173 PolarHBondContact O-N 3.39Å; D166-F173 HydrophobicContact CB-CD1 4.45Å; D166-F173 HydrophobicContact CB-CE1 4.26Å; F173-S175 VanDerWaalsContact CD2-O 3.32Å; F173-S175 WeakPolarHBondContact CD2-O 3.39Å; F173-E178 VanDerWaalsContact CA-OE2 3.27Å; F173-E178 WeakPolarHBondContact CA-OE2 3.31Å; F173-E178 HydrophobicContact CB-CB 3.9Å; F173-E178 WeakPolarHBondContact CB-OE2 3.31Å; F173-F179 HydrophobicContact CD1-CD2 4.34Å; F173-F179 HydrophobicContact CD2-CB 4.04Å; F173-F179 AromaticContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE2-CB 3.9Å; F173-F179 HydrophobicContact CE2-CD2 4.37Å; F173-F179 HydrophobicContact CE2-CG 4.43Å; F173-F179 HydrophobicContact CG-CB 4.43Å; F173-F179 HydrophobicContact CZ-CB 4.16Å; F173-F179 AromaticContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CG 4.23Å; F173-I182 HydrophobicContact CB-CD1 3.76Å; F173-I182 HydrophobicContact CD1-CD1 4.32Å; F173-I182 HydrophobicContact CG-CD1 4.37Å
174T97.4Very high95.4Very high51 Ų5172.3 Ų72.331%0.31337%0.365SS..SBendtrans-111.9-39.8-179.3-60.90000112.2L160 P161 E178L160-T174 HydrophobicContact CB-CG2 4.42Å; P161-T174 WeakPolarHBondContact O-CG2 3.08Å; P161-T174 PolarHBondContact O-OG1 3.24Å; T174-E178 PolarHBondContact N-OE2 3.35Å
175S96.3Very high95.4Very high42 Ų4266.7 Ų66.729%0.29434%0.344SS..SBendtrans-114162.6-176.269.30000113F173 E177 E178 F179F173-S175 VanDerWaalsContact CD2-O 3.32Å; F173-S175 WeakPolarHBondContact CD2-O 3.39Å; S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 PolarHBondContact O-N 3.35Å; S175-E178 PolarHBondContact O-N 3.15Å; S175-E178 WeakPolarHBondContact OG-CG 3.27Å; S175-E178 PolarHBondContact OG-N 2.87Å; S175-F179 PolarHBondContact O-N 3.17Å
176S95.8Very high95.4Very high98 Ų9867.5 Ų67.569%0.68535%0.35SS*.Hα-helixtrans-66.9-28.1173.252.60000113.1F179 S180S176-F179 PolarHBondContact O-N 3.27Å; S176-S180 PolarHBondContact O-N 2.95Å; S176-S180 PolarHBondContact O-OG 3.14Å; S176-S180 VanDerWaalsContact O-OG 3.06Å
177E96.1Very high95.4Very high156 Ų15672.6 Ų72.673%0.72938%0.381SS*.Hα-helixtrans-63.5-47174.2-175.7179.7-17900110.8S175 F179 S180 Y181S175-E177 VanDerWaalsContact C-N 3.26Å; S175-E177 PolarHBondContact O-N 3.35Å; E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 3Å; E177-S180 PolarHBondContact O-N 3.19Å; E177-Y181 PolarHBondContact O-N 2.97Å
178E96.6Very high95.4Very high21 Ų2174.3 Ų74.310%0.09839%0.385CS..Hα-helixtrans-61-39.9174.7-74.4178.6-172.700111.7S155 I157 S158 F173 T174 S175 S180 Y181 I182S155-E178 PolarHBondContact OG-OE2 3.47Å; I157-E178 HydrophobicContact CB-CG 4.45Å; S158-E178 WeakPolarHBondContact CB-OE1 3.38Å; S158-E178 PolarHBondContact OG-OE1 2.85Å; F173-E178 VanDerWaalsContact CA-OE2 3.27Å; F173-E178 WeakPolarHBondContact CA-OE2 3.31Å; F173-E178 HydrophobicContact CB-CB 3.9Å; F173-E178 WeakPolarHBondContact CB-OE2 3.31Å; T174-E178 PolarHBondContact N-OE2 3.35Å; S175-E178 PolarHBondContact O-N 3.15Å; S175-E178 WeakPolarHBondContact OG-CG 3.27Å; S175-E178 PolarHBondContact OG-N 2.87Å; E178-S180 VanDerWaalsContact C-N 3.35Å; E178-S180 PolarHBondContact O-N 3.37Å; E178-Y181 PolarHBondContact O-N 3.3Å; E178-I182 WeakPolarHBondContact O-CB 3.22Å; E178-I182 WeakPolarHBondContact O-CD1 3.37Å; E178-I182 WeakPolarHBondContact O-CG1 3.35Å; E178-I182 PolarHBondContact O-N 3.33Å
179F96.5Very high95.6Very high78 Ų7870.4 Ų70.434%0.34237%0.371SS..Hα-helixtrans-60.2-45.7176.6178.1-105.8000111.8F173 S175 S176 E177 Y181 I182 R183F173-F179 HydrophobicContact CD1-CD2 4.34Å; F173-F179 HydrophobicContact CD2-CB 4.04Å; F173-F179 AromaticContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE1-CD2 3.76Å; F173-F179 HydrophobicContact CE2-CB 3.9Å; F173-F179 HydrophobicContact CE2-CD2 4.37Å; F173-F179 HydrophobicContact CE2-CG 4.43Å; F173-F179 HydrophobicContact CG-CB 4.43Å; F173-F179 HydrophobicContact CZ-CB 4.16Å; F173-F179 AromaticContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CD2 3.77Å; F173-F179 HydrophobicContact CZ-CG 4.23Å; S175-F179 PolarHBondContact O-N 3.17Å; S176-F179 PolarHBondContact O-N 3.27Å; E177-F179 VanDerWaalsContact C-N 3.3Å; E177-F179 PolarHBondContact O-N 3Å; F179-Y181 VanDerWaalsContact C-N 3.32Å; F179-Y181 PolarHBondContact O-N 3.23Å; F179-I182 PolarHBondContact O-N 3.28Å; F179-R183 HydrophobicContact CE1-CG 4.42Å; F179-R183 HydrophobicContact CZ-CG 4.33Å; F179-R183 WeakPolarHBondContact O-CG 3.36Å; F179-R183 PolarHBondContact O-N 3.49Å
180S96.8Very high95.7Very high71 Ų7169.9 Ų69.950%0.49737%0.368SS..Hα-helixtrans-61.4-42.3176.1-55.90000111.5S176 E177 E178 R183S176-S180 PolarHBondContact O-N 2.95Å; S176-S180 PolarHBondContact O-OG 3.14Å; S176-S180 VanDerWaalsContact O-OG 3.06Å; E177-S180 PolarHBondContact O-N 3.19Å; E178-S180 VanDerWaalsContact C-N 3.35Å; E178-S180 PolarHBondContact O-N 3.37Å; S180-R183 PolarHBondContact O-N 3.31Å
181Y96.3Very high95.8Very high109 Ų10967 Ų6743%0.42736%0.36SS..Hα-helixtrans-62.8-44.6176.7180-112.7000112.6I157 E177 E178 F179 R183 L184 L185I157-Y181 HydrophobicContact CD1-CD1 4.34Å; I157-Y181 HydrophobicContact CD1-CE1 4.18Å; I157-Y181 HydrophobicContact CG1-CD1 4.48Å; I157-Y181 HydrophobicContact CG2-CD1 4.38Å; I157-Y181 HydrophobicContact CG2-CE1 4.43Å; E177-Y181 PolarHBondContact O-N 2.97Å; E178-Y181 PolarHBondContact O-N 3.3Å; F179-Y181 VanDerWaalsContact C-N 3.32Å; F179-Y181 PolarHBondContact O-N 3.23Å; Y181-R183 PolarHBondContact O-N 3.4Å; Y181-L184 WeakPolarHBondContact O-CB 3.19Å; Y181-L184 PolarHBondContact O-N 3.09Å; Y181-L185 HydrophobicContact CD1-CD1 4.31Å; Y181-L185 HydrophobicContact CD1-CG 4.38Å; Y181-L185 HydrophobicContact CE1-CD1 4.03Å; Y181-L185 HydrophobicContact CE1-CD2 3.77Å; Y181-L185 HydrophobicContact CE1-CG 4.09Å; Y181-L185 HydrophobicContact CE2-CD2 4.25Å; Y181-L185 PolarHBondContact O-N 3.07Å
182I96Very high95.8Very high1 Ų168.8 Ų68.81%0.00538%0.377CS..Hα-helixtrans-58.5-35.7179.3-74163.1000111.9I157 D166 T169 L171 F173 E178 F179 L184 L185I157-I182 HydrophobicContact CG1-CD1 4.43Å; I157-I182 HydrophobicContact CG1-CG1 4.27Å; D166-I182 WeakPolarHBondContact OD2-CG2 3.43Å; T169-I182 HydrophobicContact CG2-CG2 3.89Å; T169-I182 WeakPolarHBondContact OG1-CG2 3.34Å; L171-I182 HydrophobicContact CB-CD1 4.01Å; L171-I182 HydrophobicContact CB-CG1 4.43Å; L171-I182 HydrophobicContact CB-CG2 4.32Å; L171-I182 HydrophobicContact CD1-CG1 4.1Å; L171-I182 HydrophobicContact CD1-CG2 4.07Å; F173-I182 HydrophobicContact CB-CD1 3.76Å; F173-I182 HydrophobicContact CD1-CD1 4.32Å; F173-I182 HydrophobicContact CG-CD1 4.37Å; E178-I182 WeakPolarHBondContact O-CB 3.22Å; E178-I182 WeakPolarHBondContact O-CD1 3.37Å; E178-I182 WeakPolarHBondContact O-CG1 3.35Å; E178-I182 PolarHBondContact O-N 3.33Å; F179-I182 PolarHBondContact O-N 3.28Å; I182-L184 PolarHBondContact O-N 2.88Å; I182-L185 HydrophobicContact CG1-CD1 4.5Å; I182-L185 PolarHBondContact O-N 3.05Å
183R94.5Very high95.7Very high91 Ų9169.2 Ų69.234%0.34338%0.379SS..Hα-helixtrans-67.9-20.5177.3-64.9-76.188.8166.9-2.3113.7D166 Q168 F179 S180 Y181D166-R183 IonicContact OD1-CZ 2.66Å; D166-R183 IonicContact OD1-NH1 3.91Å; D166-R183 IonicContact OD1-NH2 2.68Å; D166-R183 PolarHBondContact OD1-NH2 2.56Å; D166-R183 IonicContact OD2-CZ 3.42Å; D166-R183 VanDerWaalsContact OD2-CZ 3.3Å; D166-R183 IonicContact OD2-NE 3.75Å; D166-R183 IonicContact OD2-NH2 2.83Å; D166-R183 PolarHBondContact OD2-NH2 3.27Å; Q168-R183 VanDerWaalsContact CB-NH2 3.29Å; F179-R183 HydrophobicContact CE1-CG 4.42Å; F179-R183 HydrophobicContact CZ-CG 4.33Å; F179-R183 WeakPolarHBondContact O-CG 3.36Å; F179-R183 PolarHBondContact O-N 3.49Å; S180-R183 PolarHBondContact O-N 3.31Å; Y181-R183 PolarHBondContact O-N 3.4Å
184L96.2Very high95.6Very high143 Ų14368.1 Ų68.175%0.74938%0.375SS*.Hα-helixtrans-92.9-12.3178.3-60.1170.4000112.4Y181 I182Y181-L184 WeakPolarHBondContact O-CB 3.19Å; Y181-L184 PolarHBondContact O-N 3.09Å; I182-L184 PolarHBondContact O-N 2.88Å
185L94.8Very high95.5Very high24 Ų2470 Ų7013%0.12639%0.387CS..SBendtrans-71.5136.5-177.3-72.9178.4000111.8I157 L171 Y181 I182 V189 V190 Y193I157-L185 HydrophobicContact CD1-CD1 4.21Å; L171-L185 HydrophobicContact CD1-CD1 4.23Å; Y181-L185 HydrophobicContact CD1-CD1 4.31Å; Y181-L185 HydrophobicContact CD1-CG 4.38Å; Y181-L185 HydrophobicContact CE1-CD1 4.03Å; Y181-L185 HydrophobicContact CE1-CD2 3.77Å; Y181-L185 HydrophobicContact CE1-CG 4.09Å; Y181-L185 HydrophobicContact CE2-CD2 4.25Å; Y181-L185 PolarHBondContact O-N 3.07Å; I182-L185 HydrophobicContact CG1-CD1 4.5Å; I182-L185 PolarHBondContact O-N 3.05Å; L185-V189 HydrophobicContact CD1-CG1 4.46Å; L185-V189 HydrophobicContact CD2-CG1 3.97Å; L185-V190 HydrophobicContact CB-CG2 3.97Å; L185-Y193 HydrophobicContact CD1-CD2 4.28Å; L185-Y193 HydrophobicContact CD1-CE2 3.92Å
186P95.6Very high95.4Very high77 Ų7774.9 Ų74.950%0.541%0.409SS..  trans-63151.2168.6-20.932.4000112.3D188 V189 V190P186-D188 PolarHBondContact O-N 2.86Å; P186-V189 HydrophobicContact CB-CG2 4.37Å; P186-V189 HydrophobicContact CG-CG2 4.32Å; P186-V189 PolarHBondContact O-N 2.98Å; P186-V190 PolarHBondContact O-N 3.15Å; P186-V190 VanDerWaalsContact O-N 3.1Å
187T93.9Very high95.3Very high108 Ų10873.5 Ų73.566%0.66339%0.388SS*.Hα-helixtrans-56.6-34.8-179.9-510000113.1V189 V190 T191T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.18Å; T187-V190 PolarHBondContact O-N 3.3Å; T187-T191 WeakPolarHBondContact O-CB 3.33Å; T187-T191 PolarHBondContact O-N 2.74Å; T187-T191 PolarHBondContact O-OG1 3.08Å
188D94.3Very high95.2Very high137 Ų13775.4 Ų75.473%0.73339%0.394SS*.Hα-helixtrans-65.2-40178.9-60-30.1000111.9P186 T191 G192P186-D188 PolarHBondContact O-N 2.86Å; D188-T191 PolarHBondContact O-N 3.2Å; D188-G192 PolarHBondContact O-N 3.16Å
189V95.2Very high94.8Very high60 Ų6075.9 Ų75.936%0.36440%0.402SS..Hα-helixtrans-69.2-43.4178.21800000110.1L185 P186 T187 T191 G192 Y193L185-V189 HydrophobicContact CD1-CG1 4.46Å; L185-V189 HydrophobicContact CD2-CG1 3.97Å; P186-V189 HydrophobicContact CB-CG2 4.37Å; P186-V189 HydrophobicContact CG-CG2 4.32Å; P186-V189 PolarHBondContact O-N 2.98Å; T187-V189 VanDerWaalsContact C-N 3.34Å; T187-V189 PolarHBondContact O-N 3.18Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.01Å; V189-G192 PolarHBondContact O-N 3.41Å; V189-G192 VanDerWaalsContact O-N 3.16Å; V189-Y193 HydrophobicContact CG1-CD2 3.84Å; V189-Y193 HydrophobicContact CG1-CE2 3.42Å; V189-Y193 VanDerWaalsContact CG1-CE2 3.42Å; V189-Y193 WeakPolarHBondContact O-CD2 3.46Å; V189-Y193 PolarHBondContact O-N 2.97Å
190V95.1Very high94Very high9 Ų977.8 Ų77.86%0.05542%0.42CS..Hα-helixtrans-56.5-46.6173.41710000110.9T169 L171 L185 P186 T187 G192 Y193 L194T169-V190 HydrophobicContact CG2-CG1 4.07Å; T169-V190 HydrophobicContact CG2-CG2 3.92Å; L171-V190 HydrophobicContact CD1-CB 4.47Å; L171-V190 HydrophobicContact CD1-CG1 4.28Å; L171-V190 HydrophobicContact CD1-CG2 4.1Å; L171-V190 HydrophobicContact CD2-CG1 4.49Å; L171-V190 HydrophobicContact CG-CG1 4.19Å; L185-V190 HydrophobicContact CB-CG2 3.97Å; P186-V190 PolarHBondContact O-N 3.15Å; P186-V190 VanDerWaalsContact O-N 3.1Å; T187-V190 PolarHBondContact O-N 3.3Å; V190-G192 VanDerWaalsContact C-N 3.31Å; V190-G192 PolarHBondContact O-N 3.28Å; V190-Y193 PolarHBondContact O-N 2.8Å; V190-L194 HydrophobicContact CG1-CD1 4.18Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.92Å
191T94.8Very high92.4Very high50 Ų5076.6 Ų76.631%0.30741%0.411SS..Hα-helixtrans-62.4-39.9177.9-56.50000111.3T187 D188 V189 L194 T195T187-T191 WeakPolarHBondContact O-CB 3.33Å; T187-T191 PolarHBondContact O-N 2.74Å; T187-T191 PolarHBondContact O-OG1 3.08Å; D188-T191 PolarHBondContact O-N 3.2Å; V189-T191 VanDerWaalsContact C-N 3.31Å; V189-T191 PolarHBondContact O-N 3.01Å; T191-L194 PolarHBondContact O-N 3.3Å; T191-T195 WeakPolarHBondContact O-CB 3.3Å; T191-T195 PolarHBondContact O-N 2.91Å; T191-T195 PolarHBondContact O-OG1 3.17Å
192G95.6Very high90.5Very high36 Ų3678.6 Ų78.637%0.37143%0.428SS..Hα-helixtrans-56.9-51.1172.600000112.4D188 V189 V190 L194 T195 L196D188-G192 PolarHBondContact O-N 3.16Å; V189-G192 PolarHBondContact O-N 3.41Å; V189-G192 VanDerWaalsContact O-N 3.16Å; V190-G192 VanDerWaalsContact C-N 3.31Å; V190-G192 PolarHBondContact O-N 3.28Å; G192-L194 PolarHBondContact O-N 2.99Å; G192-T195 PolarHBondContact O-N 2.9Å; G192-L196 WeakPolarHBondContact O-CG 3.42Å; G192-L196 PolarHBondContact O-N 2.82Å; G192-L196 VanDerWaalsContact O-N 3.16Å
193Y95.6Very high88.2Confident65 Ų6583.8 Ų83.826%0.25546%0.459SS..Hα-helixtrans-60.3-44177.8-76.1-60.4000112.8D156 I157 L171 L185 V189 V190 T195 L196D156-Y193 WeakPolarHBondContact O-CD1 3.24Å; I157-Y193 HydrophobicContact CD1-CD2 4.24Å; I157-Y193 HydrophobicContact CD1-CE1 4.21Å; I157-Y193 HydrophobicContact CD1-CE2 3.74Å; L171-Y193 HydrophobicContact CD1-CD2 4.29Å; L185-Y193 HydrophobicContact CD1-CD2 4.28Å; L185-Y193 HydrophobicContact CD1-CE2 3.92Å; V189-Y193 HydrophobicContact CG1-CD2 3.84Å; V189-Y193 HydrophobicContact CG1-CE2 3.42Å; V189-Y193 VanDerWaalsContact CG1-CE2 3.42Å; V189-Y193 WeakPolarHBondContact O-CD2 3.46Å; V189-Y193 PolarHBondContact O-N 2.97Å; V190-Y193 PolarHBondContact O-N 2.8Å; Y193-T195 VanDerWaalsContact C-N 3.34Å; Y193-T195 PolarHBondContact O-N 3Å; Y193-L196 PolarHBondContact O-N 2.8Å
194L95.1Very high86Confident3 Ų388.5 Ų88.52%0.01650%0.502CS..Hα-helixtrans-63.1-41.5177.3-70.2175.7000112.1T169 K170 L171 V190 T191 G192 L196 R197 K198 A199 C201T169-L194 WeakPolarHBondContact O-CD1 3.48Å; K170-L194 HydrophobicContact CB-CD2 4.08Å; L171-L194 HydrophobicContact CD2-CD2 3.86Å; L171-L194 HydrophobicContact CD2-CG 3.92Å; V190-L194 HydrophobicContact CG1-CD1 4.18Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.92Å; T191-L194 PolarHBondContact O-N 3.3Å; G192-L194 PolarHBondContact O-N 2.99Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.85Å; L194-R197 CarbonylContact O-C 3.19Å; L194-R197 PolarHBondContact O-N 3.41Å; L194-R197 VanDerWaalsContact O-N 3.09Å; L194-K198 PolarHBondContact O-N 2.89Å; L194-A199 CarbonylContact C-O 3.6Å; L194-A199 HydrophobicContact CB-CB 4.38Å; L194-A199 WeakPolarHBondContact CB-O 3.36Å; L194-A199 HydrophobicContact CD2-CB 4.19Å; L194-A199 PolarHBondContact O-N 3.03Å; L194-A199 VanDerWaalsContact O-O 3.08Å; L194-C201 HydrophobicContact CD1-CB 3.57Å
195T95.4Very high85.5Confident92 Ų9285.8 Ų85.856%0.56449%0.489SS*.Hα-helixtrans-60.9-39.2179.3-60.30000111.8T191 G192 Y193 R197 K198T191-T195 WeakPolarHBondContact O-CB 3.3Å; T191-T195 PolarHBondContact O-N 2.91Å; T191-T195 PolarHBondContact O-OG1 3.17Å; G192-T195 PolarHBondContact O-N 2.9Å; Y193-T195 VanDerWaalsContact C-N 3.34Å; Y193-T195 PolarHBondContact O-N 3Å; T195-R197 VanDerWaalsContact C-N 3.25Å; T195-R197 PolarHBondContact O-N 2.63Å; T195-K198 WeakPolarHBondContact O-CA 3.24Å; T195-K198 PolarHBondContact O-N 2.91Å
196L93.9Very high85Confident144 Ų14489.1 Ų89.175%0.75451%0.508SS*.Hα-helixtrans-59.3-37.9176-68.1174.6000112.1G192 Y193 L194 K198G192-L196 WeakPolarHBondContact O-CG 3.42Å; G192-L196 PolarHBondContact O-N 2.82Å; G192-L196 VanDerWaalsContact O-N 3.16Å; Y193-L196 PolarHBondContact O-N 2.8Å; L194-L196 VanDerWaalsContact C-N 3.31Å; L194-L196 PolarHBondContact O-N 2.85Å; L196-K198 PolarHBondContact O-N 2.64Å
197R93.4Very high84.4Confident68 Ų6889.7 Ų89.726%0.25751%0.509SS..THydrogen-bonded Turntrans-81.32.7174.9-163.4172.366.6-155.2-2.9113.2D156 K170 R172 L194 T195 A199D156-R197 IonicContact OD1-CZ 2.54Å; D156-R197 IonicContact OD1-NE 3.87Å; D156-R197 IonicContact OD1-NH1 3.52Å; D156-R197 PolarHBondContact OD1-NH1 3.14Å; D156-R197 IonicContact OD2-CZ 3.3Å; D156-R197 IonicContact OD2-NH1 3.54Å; D156-R197 PolarHBondContact OD2-NH1 3.37Å; D156-R197 IonicContact OD2-NH2 3.58Å; K170-R197 PolarHBondContact O-NH2 3.11Å; R172-R197 VanDerWaalsContact NE-NH1 3.18Å; L194-R197 CarbonylContact O-C 3.19Å; L194-R197 PolarHBondContact O-N 3.41Å; L194-R197 VanDerWaalsContact O-N 3.09Å; T195-R197 VanDerWaalsContact C-N 3.25Å; T195-R197 PolarHBondContact O-N 2.63Å; R197-A199 PolarHBondContact O-N 2.92Å
198K93.1Very high83.9Confident196 Ų19688.6 Ų88.685%0.85250%0.5SS*.THydrogen-bonded Turntrans56.332.6-172-53.5175.8178175.90112.1L194 T195 L196L194-K198 PolarHBondContact O-N 2.89Å; T195-K198 WeakPolarHBondContact O-CA 3.24Å; T195-K198 PolarHBondContact O-N 2.91Å; L196-K198 PolarHBondContact O-N 2.64Å
199A89.8Confident83.2Confident31 Ų3185.6 Ų85.626%0.25649%0.485SS..  trans-98.7125.5170.400000108L194 R197L194-A199 CarbonylContact C-O 3.6Å; L194-A199 HydrophobicContact CB-CB 4.38Å; L194-A199 WeakPolarHBondContact CB-O 3.36Å; L194-A199 HydrophobicContact CD2-CB 4.19Å; L194-A199 PolarHBondContact O-N 3.03Å; L194-A199 VanDerWaalsContact O-O 3.08Å; R197-A199 PolarHBondContact O-N 2.92Å
200T79.6Confident82.4Confident119 Ų11987.3 Ų87.373%0.7349%0.493SS*.  trans-97121.7172.3-52.20000107.9I202T200-I202 VanDerWaalsContact C-N 3.28Å; T200-I202 HydrophobicContact CG2-CG1 3.92Å; T200-I202 PolarHBondContact O-N 3.13Å
201C63.6Low81.5Confident46 Ų4692.9 Ų92.931%0.31153%0.525SS..  trans-72.391.4162.255.90000107.7L194 V203L194-C201 HydrophobicContact CD1-CB 3.57Å; C201-V203 HydrophobicContact CB-CG2 4.26Å; C201-V203 PolarHBondContact O-N 3.47Å; C201-V203 VanDerWaalsContact O-N 3.12Å
202I54.7Low80.5Confident151 Ų15196.2 Ų96.277%0.77454%0.542SS*.  trans-79.986.1160.2-53.5164.8000104.2T200T200-I202 VanDerWaalsContact C-N 3.28Å; T200-I202 HydrophobicContact CG2-CG1 3.92Å; T200-I202 PolarHBondContact O-N 3.13Å
203V47.8Very low79.2Confident110 Ų110101.3 Ų101.367%0.66756%0.556SS**  trans-91.4125.8162.9-179.20000105.5C201C201-V203 HydrophobicContact CB-CG2 4.26Å; C201-V203 PolarHBondContact O-N 3.47Å; C201-V203 VanDerWaalsContact O-N 3.12Å
204P49Very low77.8Confident190 Ų190104.5 Ų104.5100%1.23458%0.583SS**  trans-63.10177.927.4-34.7000113.1

Retrieved 204 of 204 residues in 195.2 ms (Link to these results)