A0A087Y792_POEFO Loading...

Synaptotagmin 8

AlphaFold DB , UniProt , Accession A0A087Y792, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 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
1M39.5Very low40.5Very low243 Ų243155.7 Ų155.7100%1.19786%0.857SS**  0141.60-74-164.5147.300108.3
2P53.5Low40Very low127 Ų127156 Ų15683%0.82585%0.854SS**  cis-95.9158.3-17.634.2-21.3000110.4
3A42.9Very low39.4Very low93 Ų93162.3 Ų162.377%0.76986%0.857SS**  cis77.193.23900000115.1
4V40.8Very low38.8Very low136 Ų136155.3 Ų155.382%0.82484%0.843SS**  trans-153113.3151.1-177.20000112.4
5H40.4Very low38.4Very low180 Ų180158.5 Ų158.583%0.83385%0.85SS**  trans31.2127.1140.1-75.9-69.7000125.1
6Q35.4Very low38.1Very low178 Ų178163.4 Ų163.483%0.83285%0.852SS**  trans-74.5159.5137.1-76.5-172.2-3200111
7P49.2Very low37.8Very low128 Ų128159.8 Ų159.883%0.83185%0.852SS**  -142.217311036.3-20.6000115.8
8S35.8Very low37.5Very low107 Ų107156.8 Ų156.875%0.74885%0.846SS**  trans-92.2154.9-166.350.90000117
9R39.2Very low37.3Very low247 Ų247159.6 Ų159.693%0.93285%0.849SS**  trans20.6131.6144-72.5-176.6172.8-172-1.4122.1
10S32.3Very low37Very low115 Ų115156.4 Ų156.480%0.80484%0.84SS**  trans-167.1123.2131.655.80000108.1
11L36.1Very low36.7Very low159 Ų159160.6 Ų160.683%0.83284%0.844SS**  819650.9-143163.8000113.8
12I35.3Very low36.3Very low159 Ų159153 Ų15382%0.81582%0.82SS**  trans-147.9106.3157.2-60-172.8000107.3
13R32.3Very low35.1Very low238 Ų238155.9 Ų155.990%0.89882%0.823SS**  47.7124.5109.5-90.1177.1169.4-178.6-2.8113.4
14G30.3Very low34.6Very low64 Ų64158.5 Ų158.566%0.6683%0.829SS**  cis127126.725.400000107.5
15H33.7Very low34.2Very low204 Ų204161.6 Ų161.694%0.94483%0.832SS**  trans-178.2132.2133.3-96.8-59.2000112.6
16R32.8Very low33.8Very low236 Ų236157.8 Ų157.889%0.89183%0.832SS**  trans-91136.1174.6-178.5-172.2-158.5-168.96.1107.8
17A33.6Very low33.5Very low103 Ų103153.3 Ų153.385%0.85183%0.833SS**  trans-150.3116.2153.300000110.6
18S32.6Very low32.7Very low105 Ų105151.9 Ų151.973%0.73483%0.826SS**  trans-64.4151.2165.3167.30000111.1
19K33.8Very low32.5Very low210 Ų210153.2 Ų153.291%0.91384%0.835SS**  trans-167.7117.2134.1-101.7162.6-169.7-172.20110.5
20S30.6Very low32.2Very low96 Ų96149.4 Ų149.467%0.67183%0.825SS**  trans-82.4155.3158.1700000109.6
21W30.1Very low32.1Very low244 Ų244151.7 Ų151.792%0.92483%0.828SS**  trans-173.2142.8132.5-108.333.1000113.1
22A31.2Very low31.8Very low83 Ų83149.9 Ų149.969%0.68682%0.818SS**  trans48.9115156.300000118.9
23Q29.2Very low31.5Very low188 Ų188147.9 Ų147.988%0.87981%0.812SS**  cis6490.449.1-140.6-178.618.900113.2
24T32.4Very low31.3Very low148 Ų148141.8 Ų141.891%0.90880%0.802SS**PPolyproline II helixtrans-101.6125.9162230000110
25K32.4Very low31.2Very low201 Ų201146 Ų14687%0.87481%0.809SS**PPolyproline II helixtrans-75.9141.6-175.6-78.4176.4172175.80112.1
26A32Very low30.9Very low101 Ų101144.4 Ų144.484%0.83580%0.802SS**PPolyproline II helixtrans-70.1136.2153.500000110.2
27G29.6Very low31.5Very low83 Ų83137.7 Ų137.786%0.85679%0.789SS**PPolyproline II helixtrans-85.7134.2169.200000110.9
28S30.6Very low31.3Very low99 Ų99139 Ų13969%0.69278%0.78SS**PPolyproline II helixtrans-97.2145179.8168.70000110.1
29S32.5Very low31.1Very low134 Ų134141 Ų14194%0.93778%0.778SS**  trans-133.1120.4148.2-62.40000108.2
30K33.4Very low31Very low167 Ų167137.3 Ų137.373%0.72677%0.767SS**  trans-116.4145.7-173.2-155.2-174.4-164.7-177.10107.2I32K30-I32 HydrophobicContact CG-CG1 4.32Å
31L29Very low31Very low164 Ų164139.2 Ų139.286%0.85977%0.774SS**  trans-17592.3150.4-95160.1000105
32I30.2Very low30.9Very low120 Ų120132.3 Ų132.362%0.61576%0.763SS**  53.8118.987.3-44.5174000110.5K30K30-I32 HydrophobicContact CG-CG1 4.32Å
33V30Very low30.8Very low117 Ų117134.7 Ų134.771%0.70977%0.769SS**  -176.7113.281.9166.60000106
34T27.2Very low30.6Very low111 Ų111134 Ų13468%0.68177%0.768SS**  43.5138.5103.852.70000115.2
35N29.1Very low30.5Very low152 Ų152131.3 Ų131.381%0.81376%0.756SS**  cis-163.7158.926.3-107.3-14.6000109
36Q27.5Very low30.2Very low170 Ų170127 Ų12779%0.79475%0.746SS**  trans-67.2-163.6163.5-55.7-158.1-27.600111.7
37P43.7Very low30.2Very low95 Ų95130 Ų13062%0.61774%0.743SS**  cis-143.4170.5-11.212.316.2000118.2
38I30.4Very low30.3Very low130 Ų130133.1 Ų133.167%0.66774%0.74SS**  trans49.7130.8138.9-32.4144.8000119.2
39H29Very low30.3Very low147 Ų147132.5 Ų132.568%0.68174%0.74SS**  177.2139.676.2-100-77.6000112.9
40I31.1Very low30.1Very low133 Ų133131.3 Ų131.368%0.68273%0.732SS**  trans50.2129.7132.7-55.6175.9000119.3
41V29.8Very low30Very low137 Ų137129 Ų12983%0.8373%0.732SS**  -178.4135.4113.5159.60000110.4
42S29.4Very low30.2Very low99 Ų99129.5 Ų129.569%0.69273%0.73SS**  trans-78.1155.9175.7-50.40000113.7
43T27.8Very low31Very low132 Ų132128.7 Ų128.781%0.8173%0.732SS**  trans177.1118.9138.729.40000107.8
44M25.6Very low31.3Very low174 Ų174130.2 Ų130.286%0.85774%0.742SS**  49128.984.5-65.5-74.7158.400111.5
45S30.1Very low32.2Very low92 Ų92130.8 Ų130.864%0.64375%0.75SS**  cis178.4153.214.843.30000109.5
46T26.5Very low32.6Very low110 Ų110126.9 Ų126.968%0.67575%0.746SS**  trans67.7125134.651.60000125.7
47H32.6Very low33.4Very low164 Ų164123.7 Ų123.776%0.75974%0.743SS**  82.9117127-75.6-59.9000122.7
48N30.8Very low33.7Very low149 Ų149127.6 Ų127.680%0.79775%0.75SS**  174.9115108.1-85.8-18.9000110.3
49A30.6Very low34.9Very low85 Ų85128.8 Ų128.870%0.70275%0.753SS**  68.699.994.700000114.8
50S28.3Very low35.9Very low110 Ų110129.1 Ų129.177%0.76976%0.76SS**  72.6127.1113.780.70000114.8
51V31.4Very low36.9Very low118 Ų118129.4 Ų129.472%0.71576%0.762SS**  -175.8132.354.7159.40000108.7
52H34.2Very low38.1Very low175 Ų175125.2 Ų125.281%0.8174%0.735SS**  trans33.1171.1146.5-71.2-62.7000124.3
53P45.8Very low39.2Very low103 Ų103127.4 Ų127.467%0.66974%0.738SS**  cis-136.6145.8-32.932.4-14.8000112.9
54T35.9Very low40.7Very low148 Ų148129.4 Ų129.491%0.90874%0.738SS**  trans-157.1138.415436.20000112.4
55S47.2Very low42.2Very low123 Ų123125.6 Ų125.686%0.8672%0.721SS**  trans-62.2135.4178.347.10000114.6
56G38Very low43.5Very low71 Ų71127.5 Ų127.573%0.73273%0.731SS**  trans174.380.8164.600000109
57S43.6Very low45.2Very low103 Ų103126.3 Ų126.372%0.7272%0.72SS**  63.988.768.4-1680000113.4E59S57-E59 PolarHBondContact O-N 3.06Å
58F50.4Low47.1Very low177 Ų177121.6 Ų121.678%0.77670%0.704SS**SBendtrans52.2-26.2147.3-121.7-95.1000121.5
59E54.6Low48.9Very low155 Ų155121.1 Ų121.172%0.72470%0.697SS**G310 helixtrans-67.7-37.1-178.4-75-86.4139.100112S57 L61 L62S57-E59 PolarHBondContact O-N 3.06Å; E59-L61 PolarHBondContact O-N 3.39Å; E59-L62 PolarHBondContact O-N 3.42Å; E59-L62 VanDerWaalsContact O-N 3.11Å
60D50.6Low51.2Low153 Ų153126.3 Ų126.382%0.81870%0.698SS**G310 helixtrans-65.7-12-178.2-116.511.6000114
61L51.7Low53.4Low140 Ų140122 Ų12273%0.73367%0.669SS**G310 helixtrans-97.4-9.8-179.6-146.5128.8000112.9E59E59-L61 PolarHBondContact O-N 3.39Å
62L54.5Low55.5Low49 Ų49117.1 Ų117.126%0.25764%0.639SS.*THydrogen-bonded Turntrans-91.1-15.5-178.2-104.587000114.4E59 H64 I72E59-L62 PolarHBondContact O-N 3.42Å; E59-L62 VanDerWaalsContact O-N 3.11Å; L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 2.93Å; L62-I72 HydrophobicContact CD2-CG2 4.33Å
63D54.2Low57.8Low144 Ų144115.9 Ų115.977%0.7763%0.628SS**THydrogen-bonded Turntrans-82.71.1-175.1-88.3-10.8000115.1
64H59.3Low59.5Low175 Ų175113.9 Ų113.981%0.8162%0.62SS**THydrogen-bonded Turntrans-100.25.5-179.3-89.2-46000115.6L62L62-H64 VanDerWaalsContact C-N 3.3Å; L62-H64 PolarHBondContact O-N 2.93Å
65I57.2Low61.9Low94 Ų94111.8 Ų111.848%0.48260%0.602SS.*SBendtrans-118.3119.8-177.2-53178.2000109.6L67I65-L67 HydrophobicContact CG2-CB 4.29Å; I65-L67 HydrophobicContact CG2-CD1 3.89Å; I65-L67 HydrophobicContact CG2-CG 4.16Å; I65-L67 PolarHBondContact O-N 3.47Å
66P55.5Low63.7Low132 Ų132112.5 Ų112.586%0.85759%0.59SS**  trans-80.554.6-174.435.3-36.7000111.8
67L62.6Low66.1Low84 Ų84111.3 Ų111.344%0.4458%0.579SS.*SBendtrans-125.8139177.3-72.8168.9000109.1I65 A71 I72 I75I65-L67 HydrophobicContact CG2-CB 4.29Å; I65-L67 HydrophobicContact CG2-CD1 3.89Å; I65-L67 HydrophobicContact CG2-CG 4.16Å; I65-L67 PolarHBondContact O-N 3.47Å; L67-A71 HydrophobicContact CB-CB 4.5Å; L67-I72 HydrophobicContact CB-CG1 4.16Å; L67-I75 HydrophobicContact CD1-CD1 4.28Å
68P73.5Confident68.3Low66 Ų66111.5 Ų111.543%0.42957%0.571SS.*  trans-63.2143.2177.529.6-35.8000109.9W70 A71P68-W70 VanDerWaalsContact CB-NE1 3.32Å; P68-W70 HydrophobicContact CG-CD2 4.49Å; P68-W70 HydrophobicContact CG-CZ2 3.97Å; P68-W70 PolarHBondContact O-N 2.81Å; P68-A71 HydrophobicContact CG-CB 4.19Å; P68-A71 WeakPolarHBondContact O-CB 3.26Å; P68-A71 PolarHBondContact O-N 3.04Å
69Q68.5Low70.2Confident138 Ų138104.5 Ų104.565%0.64555%0.548SS*.Hα-helixtrans-52.4-36-167.5-69176.9-21.200113.8A71 I72 Y73Q69-A71 VanDerWaalsContact C-N 3.3Å; Q69-A71 PolarHBondContact O-N 3.49Å; Q69-I72 PolarHBondContact O-N 3.04Å; Q69-Y73 HydrophobicContact CB-CE2 4.27Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.37Å; Q69-Y73 PolarHBondContact O-N 2.63Å
70W79.3Confident71.9Confident195 Ų19599 Ų9974%0.73953%0.533SS*.Hα-helixtrans-62.3-31.9176.459.2-87.9000113.9P68 A74P68-W70 VanDerWaalsContact CB-NE1 3.32Å; P68-W70 HydrophobicContact CG-CD2 4.49Å; P68-W70 HydrophobicContact CG-CZ2 3.97Å; P68-W70 PolarHBondContact O-N 2.81Å; W70-A74 WeakPolarHBondContact O-CB 3.39Å; W70-A74 PolarHBondContact O-N 3.3Å
71A73.9Confident73.8Confident20 Ų2096 Ų9617%0.16552%0.517CS..Hα-helixtrans-72-33.5176.900000112L67 P68 Q69 A74 I75L67-A71 HydrophobicContact CB-CB 4.5Å; P68-A71 HydrophobicContact CG-CB 4.19Å; P68-A71 WeakPolarHBondContact O-CB 3.26Å; P68-A71 PolarHBondContact O-N 3.04Å; Q69-A71 VanDerWaalsContact C-N 3.3Å; Q69-A71 PolarHBondContact O-N 3.49Å; A71-A74 PolarHBondContact O-N 3.19Å; A71-I75 WeakPolarHBondContact O-CD1 3.4Å; A71-I75 VanDerWaalsContact O-CG1 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.49Å; A71-I75 PolarHBondContact O-N 2.84Å
72I75.9Confident75.6Confident14 Ų1493.8 Ų93.87%0.07251%0.505CS..Hα-helixtrans-66.2-47.6175.6-62175.3000109.6L62 L67 Q69 A74 I75 F76L62-I72 HydrophobicContact CD2-CG2 4.33Å; L67-I72 HydrophobicContact CB-CG1 4.16Å; Q69-I72 PolarHBondContact O-N 3.04Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.39Å; I72-I75 PolarHBondContact O-N 2.8Å; I72-F76 HydrophobicContact CG2-CD2 3.69Å; I72-F76 HydrophobicContact CG2-CE2 3.47Å; I72-F76 VanDerWaalsContact CG2-CE2 3.47Å; I72-F76 WeakPolarHBondContact O-CD2 3.41Å; I72-F76 PolarHBondContact O-N 2.83Å
73Y81Confident77.2Confident149 Ų14996.7 Ų96.758%0.58452%0.519SS*.Hα-helixtrans-61.5-37175.1-66.8-63.4000112.7Q69 F76 G77Q69-Y73 HydrophobicContact CB-CE2 4.27Å; Q69-Y73 WeakPolarHBondContact O-CD2 3.37Å; Q69-Y73 PolarHBondContact O-N 2.63Å; Y73-F76 PolarHBondContact O-N 3.26Å; Y73-G77 PolarHBondContact O-N 3.01Å
74A83.3Confident78.9Confident61 Ų6194.8 Ų94.850%0.50451%0.508SS..Hα-helixtrans-64.9-40.2175.200000112.6W70 A71 I72 G77 L78W70-A74 WeakPolarHBondContact O-CB 3.39Å; W70-A74 PolarHBondContact O-N 3.3Å; A71-A74 PolarHBondContact O-N 3.19Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.39Å; A74-G77 PolarHBondContact O-N 3.27Å; A74-L78 WeakPolarHBondContact O-CB 3.46Å; A74-L78 PolarHBondContact O-N 2.8Å
75I85.1Confident80.4Confident104 Ų10490.9 Ų90.953%0.53349%0.493SS..Hα-helixtrans-66.7-43.4177-68.6163.9000110.9L67 A71 I72 L78 G79L67-I75 HydrophobicContact CD1-CD1 4.28Å; A71-I75 WeakPolarHBondContact O-CD1 3.4Å; A71-I75 VanDerWaalsContact O-CG1 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.49Å; A71-I75 PolarHBondContact O-N 2.84Å; I72-I75 PolarHBondContact O-N 2.8Å; I75-L78 PolarHBondContact O-N 3.24Å; I75-G79 PolarHBondContact O-N 3.08Å
76F84.6Confident81.8Confident138 Ų13889.5 Ų89.561%0.60549%0.491SS*.Hα-helixtrans-64.6-39.4174.8-78.4-66.5000112.2I72 Y73 G79 G80I72-F76 HydrophobicContact CG2-CD2 3.69Å; I72-F76 HydrophobicContact CG2-CE2 3.47Å; I72-F76 VanDerWaalsContact CG2-CE2 3.47Å; I72-F76 WeakPolarHBondContact O-CD2 3.41Å; I72-F76 PolarHBondContact O-N 2.83Å; Y73-F76 PolarHBondContact O-N 3.26Å; F76-G79 PolarHBondContact O-N 2.73Å; F76-G80 PolarHBondContact O-N 2.86Å
77G89.3Confident83.2Confident47 Ų4786.4 Ų86.449%0.48547%0.472SS..Hα-helixtrans-61.3-44.4173.900000112.6Y73 A74 G80 L81Y73-G77 PolarHBondContact O-N 3.01Å; A74-G77 PolarHBondContact O-N 3.27Å; G77-G80 PolarHBondContact O-N 3.07Å; G77-L81 WeakPolarHBondContact O-CB 3.35Å; G77-L81 PolarHBondContact O-N 3.5Å
78L89.3Confident84.4Confident106 Ų10686.7 Ų86.756%0.55547%0.473SS*.Hα-helixtrans-68.2-40.6177.7-16964.7000111.8A74 I75 L81 I82A74-L78 WeakPolarHBondContact O-CB 3.46Å; A74-L78 PolarHBondContact O-N 2.8Å; I75-L78 PolarHBondContact O-N 3.24Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-I82 HydrophobicContact CG-CD1 4.25Å; L78-I82 VanDerWaalsContact O-CG1 3.28Å; L78-I82 WeakPolarHBondContact O-CG1 3.03Å; L78-I82 PolarHBondContact O-N 3.41Å
79G89.7Confident84.8Confident30 Ų3087.4 Ų87.431%0.30948%0.479SS..Hα-helixtrans-61.5-44.7173.600000112.2I75 F76 L81 I82 I83I75-G79 PolarHBondContact O-N 3.08Å; F76-G79 PolarHBondContact O-N 2.73Å; G79-L81 PolarHBondContact O-N 3.44Å; G79-I82 PolarHBondContact O-N 2.71Å; G79-I83 VanDerWaalsContact O-CG1 3.28Å; G79-I83 WeakPolarHBondContact O-CG1 3.47Å; G79-I83 PolarHBondContact O-N 3.01Å
80G90.1Very high85.5Confident39 Ų3985.9 Ų85.940%0.40247%0.474SS..Hα-helixtrans-60.5-42.7174.700000112.7F76 G77 I83 L84F76-G80 PolarHBondContact O-N 2.86Å; G77-G80 PolarHBondContact O-N 3.07Å; G80-I83 PolarHBondContact O-N 2.92Å; G80-L84 WeakPolarHBondContact O-CB 3.35Å; G80-L84 PolarHBondContact O-N 3.19Å
81L90.9Very high85.3Confident92 Ų9280.1 Ų80.148%0.48246%0.463SS..Hα-helixtrans-64.6-41.1177.1-174.365.9000112.3G77 L78 G79 L84 L85G77-L81 WeakPolarHBondContact O-CB 3.35Å; G77-L81 PolarHBondContact O-N 3.5Å; L78-L81 PolarHBondContact O-N 2.91Å; G79-L81 PolarHBondContact O-N 3.44Å; L81-L84 PolarHBondContact O-N 2.93Å; L81-L85 HydrophobicContact CG-CD1 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 2.98Å
82I89.8Confident85.5Confident92 Ų9284.2 Ų84.247%0.47248%0.481SS..Hα-helixtrans-65.1-41.8176.6-69.2166.5000110.7L78 G79 L85 C86L78-I82 HydrophobicContact CG-CD1 4.25Å; L78-I82 VanDerWaalsContact O-CG1 3.28Å; L78-I82 WeakPolarHBondContact O-CG1 3.03Å; L78-I82 PolarHBondContact O-N 3.41Å; G79-I82 PolarHBondContact O-N 2.71Å; I82-L85 PolarHBondContact O-N 2.91Å; I82-C86 WeakPolarHBondContact O-CB 3.28Å; I82-C86 PolarHBondContact O-N 3.5Å; I82-C86 PolarHBondContact O-SG 3.12Å
83I89Confident85.5Confident110 Ų11090.5 Ų90.556%0.56451%0.508SS*.Hα-helixtrans-63.8-43.3176-68.2166.2000110.3G79 G80 L85 C86 C87G79-I83 VanDerWaalsContact O-CG1 3.28Å; G79-I83 WeakPolarHBondContact O-CG1 3.47Å; G79-I83 PolarHBondContact O-N 3.01Å; G80-I83 PolarHBondContact O-N 2.92Å; I83-L85 PolarHBondContact O-N 2.81Å; I83-C86 PolarHBondContact O-N 3.04Å; I83-C87 WeakPolarHBondContact O-CB 3.39Å; I83-C87 PolarHBondContact O-N 3.05Å; I83-C87 PolarHBondContact O-SG 3.5Å
84L90.3Very high84.8Confident104 Ų10486.9 Ų86.955%0.54550%0.504SS..Hα-helixtrans-60.1-45.3176.5-165.993.8000111.8G80 L81 C87 L88G80-L84 WeakPolarHBondContact O-CB 3.35Å; G80-L84 PolarHBondContact O-N 3.19Å; L81-L84 PolarHBondContact O-N 2.93Å; L84-C87 PolarHBondContact O-N 2.95Å; L84-L88 HydrophobicContact CD2-CD1 4.31Å; L84-L88 HydrophobicContact CG-CD1 4.34Å; L84-L88 WeakPolarHBondContact O-CB 3.4Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.07Å
85L90.3Very high83.9Confident93 Ų9388 Ų8849%0.48751%0.507SS..Hα-helixtrans-65.3-39.5176.6-72.6170.8000112.1L81 I82 I83 L88 C89L81-L85 HydrophobicContact CG-CD1 4.33Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.46Å; L81-L85 PolarHBondContact O-N 2.98Å; I82-L85 PolarHBondContact O-N 2.91Å; I83-L85 PolarHBondContact O-N 2.81Å; L85-L88 PolarHBondContact O-N 3.21Å; L85-C89 WeakPolarHBondContact O-CB 3.01Å; L85-C89 PolarHBondContact O-N 2.79Å; L85-C89 PolarHBondContact O-SG 2.97Å
86C86.3Confident82.8Confident66 Ų6686.8 Ų86.845%0.44651%0.507SS..Hα-helixtrans-64-43.9174.3-71.10000111.6I82 I83 C89 I90I82-C86 WeakPolarHBondContact O-CB 3.28Å; I82-C86 PolarHBondContact O-N 3.5Å; I82-C86 PolarHBondContact O-SG 3.12Å; I83-C86 PolarHBondContact O-N 3.04Å; C86-C89 PolarHBondContact O-N 2.88Å; C86-I90 VanDerWaalsContact O-CG1 3.27Å; C86-I90 WeakPolarHBondContact O-CG1 3.17Å; C86-I90 PolarHBondContact O-N 3.05Å
87C85.1Confident81.3Confident66 Ų6687.2 Ų87.245%0.44651%0.508SS..Hα-helixtrans-61.9-45.1175.4-72.90000111.4I83 L84 C89 I90 C91I83-C87 WeakPolarHBondContact O-CB 3.39Å; I83-C87 PolarHBondContact O-N 3.05Å; I83-C87 PolarHBondContact O-SG 3.5Å; L84-C87 PolarHBondContact O-N 2.95Å; C87-C89 PolarHBondContact O-N 2.82Å; C87-I90 PolarHBondContact O-N 2.66Å; C87-C91 WeakPolarHBondContact O-CB 3.19Å; C87-C91 PolarHBondContact O-N 2.87Å; C87-C91 PolarHBondContact O-SG 2.86Å
88L88.3Confident79.3Confident90 Ų9094.6 Ų94.647%0.47152%0.521SS..Hα-helixtrans-59.7-43.2174.1-79.7162.4000111.9L84 L85 I90 C91 I92L84-L88 HydrophobicContact CD2-CD1 4.31Å; L84-L88 HydrophobicContact CG-CD1 4.34Å; L84-L88 WeakPolarHBondContact O-CB 3.4Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.07Å; L85-L88 PolarHBondContact O-N 3.21Å; L88-I90 PolarHBondContact O-N 2.87Å; L88-C91 PolarHBondContact O-N 2.81Å; L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.18Å; L88-I92 PolarHBondContact O-N 3.41Å
89C80.4Confident77.3Confident82 Ų8297.2 Ų97.255%0.55453%0.529SS*.Hα-helixtrans-64.2-39.8176.9-70.20000112.6L85 C86 C87 K93L85-C89 WeakPolarHBondContact O-CB 3.01Å; L85-C89 PolarHBondContact O-N 2.79Å; L85-C89 PolarHBondContact O-SG 2.97Å; C86-C89 PolarHBondContact O-N 2.88Å; C87-C89 PolarHBondContact O-N 2.82Å; C89-K93 WeakPolarHBondContact O-CB 3.39Å; C89-K93 PolarHBondContact O-N 3.07Å
90I83Confident75.3Confident105 Ų105104 Ų10454%0.53855%0.549SS..Hα-helixtrans-67.4-43.8175.5-67.3165.1000110.1C86 C87 L88 I92 K93 C94C86-I90 VanDerWaalsContact O-CG1 3.27Å; C86-I90 WeakPolarHBondContact O-CG1 3.17Å; C86-I90 PolarHBondContact O-N 3.05Å; C87-I90 PolarHBondContact O-N 2.66Å; L88-I90 PolarHBondContact O-N 2.87Å; I90-I92 PolarHBondContact O-N 3.36Å; I90-K93 PolarHBondContact O-N 3.24Å; I90-C94 VanDerWaalsContact O-CB 3.32Å; I90-C94 WeakPolarHBondContact O-CB 3.26Å; I90-C94 PolarHBondContact O-N 2.8Å; I90-C94 PolarHBondContact O-SG 2.93Å
91C75.9Confident73.2Confident75 Ų75111.1 Ų111.151%0.50756%0.564SS.*Hα-helixtrans-59.4-45.7176.2-72.60000111.6C87 L88 K93 C94 C95C87-C91 WeakPolarHBondContact O-CB 3.19Å; C87-C91 PolarHBondContact O-N 2.87Å; C87-C91 PolarHBondContact O-SG 2.86Å; L88-C91 PolarHBondContact O-N 2.81Å; C91-K93 PolarHBondContact O-N 3.39Å; C91-C94 PolarHBondContact O-N 2.85Å; C91-C95 WeakPolarHBondContact O-CB 3.39Å; C91-C95 PolarHBondContact O-N 3.49Å; C91-C95 PolarHBondContact O-SG 3.45Å
92I78.8Confident71.1Confident105 Ų105113.2 Ų113.254%0.53857%0.571SS.*Hα-helixtrans-61.8-46.1175.5-67.2164.6000110.5L88 I90 C94 C95 C96L88-I92 VanDerWaalsContact O-CG1 3.25Å; L88-I92 WeakPolarHBondContact O-CG1 3.18Å; L88-I92 PolarHBondContact O-N 3.41Å; I90-I92 PolarHBondContact O-N 3.36Å; I92-C94 VanDerWaalsContact C-N 3.31Å; I92-C94 PolarHBondContact O-N 2.72Å; I92-C95 PolarHBondContact O-N 3.43Å; I92-C96 WeakPolarHBondContact O-CB 3.25Å; I92-C96 PolarHBondContact O-N 2.82Å; I92-C96 PolarHBondContact O-SG 2.87Å
93K74.7Confident69.2Low146 Ų146116.2 Ų116.264%0.63558%0.581SS**Hα-helixtrans-63.7-35.6178.8-165.1169.9-173.3161.40112.6C89 I90 C91 K97C89-K93 WeakPolarHBondContact O-CB 3.39Å; C89-K93 PolarHBondContact O-N 3.07Å; I90-K93 PolarHBondContact O-N 3.24Å; C91-K93 PolarHBondContact O-N 3.39Å; K93-K97 WeakPolarHBondContact O-CB 3.47Å; K93-K97 WeakPolarHBondContact O-CG 3.18Å; K93-K97 PolarHBondContact O-N 3.2Å; K93-K97 VanDerWaalsContact O-N 3.08Å
94C67.7Low67.2Low74 Ų74117.6 Ų117.650%0.558%0.583SS.*Hα-helixtrans-72.7-42.3175.5-73.50000112.1I90 C91 I92 K97 R98I90-C94 VanDerWaalsContact O-CB 3.32Å; I90-C94 WeakPolarHBondContact O-CB 3.26Å; I90-C94 PolarHBondContact O-N 2.8Å; I90-C94 PolarHBondContact O-SG 2.93Å; C91-C94 PolarHBondContact O-N 2.85Å; I92-C94 VanDerWaalsContact C-N 3.31Å; I92-C94 PolarHBondContact O-N 2.72Å; C94-K97 PolarHBondContact O-N 3.02Å; C94-R98 PolarHBondContact O-N 2.86Å
95C63.6Low65.3Low84 Ų84117.1 Ų117.157%0.56858%0.581SS**Hα-helixtrans-65.2-41.2175.4-71.90000112.2C91 I92 R98 K99C91-C95 WeakPolarHBondContact O-CB 3.39Å; C91-C95 PolarHBondContact O-N 3.49Å; C91-C95 PolarHBondContact O-SG 3.45Å; I92-C95 PolarHBondContact O-N 3.43Å; C95-R98 PolarHBondContact O-N 2.76Å; C95-K99 PolarHBondContact O-N 3.09Å; C95-K99 VanDerWaalsContact O-N 3.1Å
96C61.7Low63.4Low79 Ų79119.1 Ų119.153%0.53459%0.588SS.*Hα-helixtrans-66.6-36.9174.5-67.70000112.3I92 K100I92-C96 WeakPolarHBondContact O-CB 3.25Å; I92-C96 PolarHBondContact O-N 2.82Å; I92-C96 PolarHBondContact O-SG 2.87Å; C96-K100 WeakPolarHBondContact O-CB 3.45Å; C96-K100 PolarHBondContact O-N 3.42Å; C96-K100 VanDerWaalsContact O-N 3.09Å
97K54.1Low61.6Low146 Ų146122.6 Ų122.664%0.63560%0.597SS**Hα-helixtrans-66.1-37.2173-85.2-174.9173.6-1750112.5K93 C94 K100 R101K93-K97 WeakPolarHBondContact O-CB 3.47Å; K93-K97 WeakPolarHBondContact O-CG 3.18Å; K93-K97 PolarHBondContact O-N 3.2Å; K93-K97 VanDerWaalsContact O-N 3.08Å; C94-K97 PolarHBondContact O-N 3.02Å; K97-K100 PolarHBondContact O-N 2.87Å; K97-R101 PolarHBondContact O-N 2.84Å; K97-R101 VanDerWaalsContact O-N 3.11Å
98R46.6Very low60.1Low202 Ų202124.5 Ų124.576%0.76260%0.602SS**Hα-helixtrans-68.3-41.3179.1-149.9172.3-176.9171.8-0.3111.7C94 C95 K100 R101 Q102C94-R98 PolarHBondContact O-N 2.86Å; C95-R98 PolarHBondContact O-N 2.76Å; R98-K100 PolarHBondContact O-N 2.82Å; R98-R101 PolarHBondContact O-N 2.84Å; R98-Q102 PolarHBondContact O-N 3.1Å; R98-Q102 VanDerWaalsContact O-N 3.15Å
99K46.7Very low58Low162 Ų162126.7 Ų126.770%0.70461%0.614SS**Hα-helixtrans-64.8-35.4171.4-84-172.2174.6-178.60113.2C95 R101 K103C95-K99 PolarHBondContact O-N 3.09Å; C95-K99 VanDerWaalsContact O-N 3.1Å; K99-R101 VanDerWaalsContact C-N 3.31Å; K99-R101 PolarHBondContact O-N 2.83Å; K99-K103 PolarHBondContact O-N 2.77Å; K99-K103 VanDerWaalsContact O-N 3.15Å
100K47.7Very low56.4Low171 Ų171129.9 Ų129.974%0.74362%0.624SS**Hα-helixtrans-70.1-26.9176.9-147.1173-172.2174.70112.7C96 K97 R98 K104C96-K100 WeakPolarHBondContact O-CB 3.45Å; C96-K100 PolarHBondContact O-N 3.42Å; C96-K100 VanDerWaalsContact O-N 3.09Å; K97-K100 PolarHBondContact O-N 2.87Å; R98-K100 PolarHBondContact O-N 2.82Å; K100-K104 PolarHBondContact O-N 3.12Å
101R46.6Very low54.4Low189 Ų189133.5 Ų133.571%0.71364%0.636SS**Hα-helixtrans-75.7-46.7174.5-133173.8178.4173.6-2.4111.5K97 R98 K99 K103 K104 D105K97-R101 PolarHBondContact O-N 2.84Å; K97-R101 VanDerWaalsContact O-N 3.11Å; R98-R101 PolarHBondContact O-N 2.84Å; K99-R101 VanDerWaalsContact C-N 3.31Å; K99-R101 PolarHBondContact O-N 2.83Å; R101-K103 VanDerWaalsContact C-N 3.3Å; R101-K103 PolarHBondContact O-N 3.22Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 2.81Å; R101-D105 PolarHBondContact O-N 2.88Å
102Q47Very low52.5Low136 Ų136132.8 Ų132.864%0.63664%0.642SS**Hα-helixtrans-57.3-39.4174.2-90.6-179.5-23.300113.2R98 K104 D105 Q106R98-Q102 PolarHBondContact O-N 3.1Å; R98-Q102 VanDerWaalsContact O-N 3.15Å; Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.04Å; Q102-D105 PolarHBondContact O-N 2.84Å; Q102-Q106 WeakPolarHBondContact O-CB 3.47Å; Q102-Q106 PolarHBondContact O-N 2.84Å
103K49.1Very low50.6Low155 Ų155135.6 Ų135.667%0.67466%0.657SS**Hα-helixtrans-69.6-27.8178.2-147.2175.9-172.3-179.40113.1K99 R101 Q107K99-K103 PolarHBondContact O-N 2.77Å; K99-K103 VanDerWaalsContact O-N 3.15Å; R101-K103 VanDerWaalsContact C-N 3.3Å; R101-K103 PolarHBondContact O-N 3.22Å; K103-Q107 WeakPolarHBondContact O-CB 3.46Å; K103-Q107 PolarHBondContact O-N 3.3Å
104K46.7Very low48.7Very low139 Ų139136.7 Ų136.760%0.60467%0.67SS**Hα-helixtrans-75.9-40.2175.9-160.5178.6-178-175.80110.9K100 R101 Q102 Q107 I108K100-K104 PolarHBondContact O-N 3.12Å; R101-K104 WeakPolarHBondContact O-CB 3.31Å; R101-K104 PolarHBondContact O-N 2.81Å; Q102-K104 VanDerWaalsContact C-N 3.31Å; Q102-K104 PolarHBondContact O-N 3.04Å; K104-Q107 PolarHBondContact O-N 2.78Å; K104-I108 HydrophobicContact CG-CD1 4.27Å; K104-I108 WeakPolarHBondContact O-CD1 3.33Å; K104-I108 VanDerWaalsContact O-CG1 3.23Å; K104-I108 WeakPolarHBondContact O-CG1 3.12Å; K104-I108 PolarHBondContact O-N 3.02Å; K104-I108 VanDerWaalsContact O-N 3.09Å
105D51.1Low47.1Very low95 Ų95136.2 Ų136.251%0.50868%0.678SS.*Hα-helixtrans-71.2-36.8178.9-60.4-23.2000111.5R101 Q102 Q107 I108 L109R101-D105 PolarHBondContact O-N 2.88Å; Q102-D105 PolarHBondContact O-N 2.84Å; D105-Q107 VanDerWaalsContact C-N 3.33Å; D105-Q107 PolarHBondContact O-N 3.43Å; D105-I108 PolarHBondContact O-N 3.38Å; D105-L109 WeakPolarHBondContact O-CB 3.23Å; D105-L109 PolarHBondContact O-N 3.46Å
106Q49.8Very low45.6Very low134 Ų134141.9 Ų141.963%0.62669%0.693SS**Hα-helixtrans-68.2-30.9174.9-157.1175.111.700112.6Q102 L110Q102-Q106 WeakPolarHBondContact O-CB 3.47Å; Q102-Q106 PolarHBondContact O-N 2.84Å; Q106-L110 PolarHBondContact O-N 3.41Å
107Q48.8Very low44.1Very low139 Ų139144.4 Ų144.465%0.6571%0.705SS**Hα-helixtrans-76.7-25.9174.3-168.4170.627.600113K103 K104 D105K103-Q107 WeakPolarHBondContact O-CB 3.46Å; K103-Q107 PolarHBondContact O-N 3.3Å; K104-Q107 PolarHBondContact O-N 2.78Å; D105-Q107 VanDerWaalsContact C-N 3.33Å; D105-Q107 PolarHBondContact O-N 3.43Å
108I53.1Low42.9Very low106 Ų106141.3 Ų141.354%0.54471%0.708SS.*Hα-helixtrans-78.2-38.3173.5-66.6162.9000110.2K104 D105 K111K104-I108 HydrophobicContact CG-CD1 4.27Å; K104-I108 WeakPolarHBondContact O-CD1 3.33Å; K104-I108 VanDerWaalsContact O-CG1 3.23Å; K104-I108 WeakPolarHBondContact O-CG1 3.12Å; K104-I108 PolarHBondContact O-N 3.02Å; K104-I108 VanDerWaalsContact O-N 3.09Å; D105-I108 PolarHBondContact O-N 3.38Å; I108-K111 PolarHBondContact O-N 3.32Å
109L45.8Very low42.1Very low136 Ų136138 Ų13871%0.71271%0.71SS**Hα-helixtrans-68.9-37.5179.6-162.778.1000112.9D105 K111 G112D105-L109 WeakPolarHBondContact O-CB 3.23Å; D105-L109 PolarHBondContact O-N 3.46Å; L109-K111 PolarHBondContact O-N 2.82Å; L109-G112 PolarHBondContact O-N 3.28Å
110L46.2Very low41.3Very low149 Ų149134.3 Ų134.378%0.7871%0.709SS**THydrogen-bonded Turntrans-72.5-12.7178.8-12882.6000114Q106Q106-L110 PolarHBondContact O-N 3.41Å
111K40.3Very low40.5Very low182 Ų182134.5 Ų134.579%0.79172%0.718SS**THydrogen-bonded Turntrans-96.3-4.2175.9-84.4-171170.2-167.70113.6I108 L109I108-K111 PolarHBondContact O-N 3.32Å; L109-K111 PolarHBondContact O-N 2.82Å
112G37.6Very low40Very low60 Ų60132 Ų13262%0.61972%0.723SS**SBendtrans-97.35.6-172.800000116L109L109-G112 PolarHBondContact O-N 3.28Å
113L38.7Very low39.2Very low164 Ų164134.3 Ų134.386%0.85973%0.734SS**  trans-12973.6-178.7-72.9167.6000110.4
114D33.8Very low38.5Very low168 Ų168132.1 Ų132.190%0.89874%0.736SS**  trans-148.7118.3141.5-151.42.9000108.1
115G34.5Very low37.8Very low65 Ų65133.8 Ų133.867%0.6775%0.751SS**  trans-150.4125-174.200000110.5
116K31.5Very low37.1Very low203 Ų203137.7 Ų137.788%0.88377%0.768SS**  trans-147.493.9149.6-97.5177.5-175.7177.30110.1
117T31.2Very low36.5Very low131 Ų131139.6 Ų139.680%0.80478%0.777SS**  50.4122.7122.8-400000122.7
118A28.4Very low36Very low82 Ų82141 Ų14168%0.67879%0.79SS**  trans66.7140.9142.800000118.4
119T28.9Very low35.5Very low132 Ų132141.4 Ų141.481%0.8180%0.796SS**  cis-167.7146.616-5.90000108.1
120A31Very low35.3Very low84 Ų84140.9 Ų140.969%0.69479%0.794SS**  trans52114.8146.600000121
121L30.4Very low35Very low176 Ų176144.8 Ų144.892%0.92180%0.8SS**  170.5147.398.6-83.4175.5000111
122V36.4Very low35.1Very low137 Ų137138.9 Ų138.983%0.8379%0.792SS**  trans-67.7132.5-171172.90000112.9
123Q29.4Very low35.6Very low183 Ų183140.4 Ų140.486%0.85579%0.793SS**  trans-169.4157.2147.1-105.5170.255.700111.7
124P35.6Very low36Very low110 Ų110138.7 Ų138.771%0.71479%0.789SS**  trans-82.5151.8-153.533.7-35.1000114.4M126P124-M126 PolarHBondContact O-N 3.29Å
125D31.2Very low37.2Very low174 Ų174140.2 Ų140.293%0.9379%0.787SS**  trans-48.8102.7179.1-63.5-40.4000113
126M36.8Very low39.1Very low176 Ų176143.3 Ų143.387%0.86778%0.784SS**  trans-98.4121.1159.5-78.3-148.8-178.800109.4P124P124-M126 PolarHBondContact O-N 3.29Å
127E38.2Very low41.8Very low174 Ų174139.1 Ų139.181%0.81376%0.764SS**  trans26.499.2150.2-64.7-179.9168.800116.5V129E127-V129 VanDerWaalsContact C-N 3.26Å; E127-V129 PolarHBondContact O-N 2.68Å
128D37.5Very low44.8Very low170 Ų170134.2 Ų134.291%0.90973%0.731SS**  trans-66.688.4164.9-148.87.7000108.3D130D128-D130 PolarHBondContact O-N 2.76Å; D128-D130 VanDerWaalsContact O-N 3.12Å
129V42Very low47.9Very low113 Ų113130.3 Ų130.369%0.68570%0.698SS**  trans-67.3102.6169.3-179.70000106.9E127 Y131E127-V129 VanDerWaalsContact C-N 3.26Å; E127-V129 PolarHBondContact O-N 2.68Å; V129-Y131 PolarHBondContact O-N 2.95Å
130D42.9Very low51.2Low125 Ų125127.4 Ų127.467%0.66867%0.674SS**  trans-55.889.1179.3-175.927.2000111.3D128 G132D128-D130 PolarHBondContact O-N 2.76Å; D128-D130 VanDerWaalsContact O-N 3.12Å; D130-G132 PolarHBondContact O-N 3.48Å
131Y39.5Very low54.4Low231 Ų231123.4 Ų123.491%0.90664%0.641SS**  trans-7590.7173-145.3-91.9000108.7V129V129-Y131 PolarHBondContact O-N 2.95Å
132G42Very low57.6Low59 Ų59115.9 Ų115.961%0.60860%0.602SS**  trans77.670.8160.700000115.7D130 V134D130-G132 PolarHBondContact O-N 3.48Å; G132-V134 PolarHBondContact O-N 2.89Å
133S47.8Very low60.5Low92 Ų92109.4 Ų109.464%0.64356%0.563SS**  trans-55.7102.3159.5-164.40000109.7K135S133-K135 PolarHBondContact O-N 2.81Å
134V48.2Very low63.7Low128 Ų128101 Ų10178%0.77652%0.524SS*.  trans-55.1104.6171.6-177.90000107G132 Q136G132-V134 PolarHBondContact O-N 2.89Å; V134-Q136 PolarHBondContact O-N 2.97Å
135K57.5Low66.6Low200 Ų20095.8 Ų95.887%0.8749%0.49SS*.  trans-53.6106.7175-83.5-176.8178.4177.40106.9S133 Y137S133-K135 PolarHBondContact O-N 2.81Å; K135-Y137 PolarHBondContact O-N 2.9Å
136Q75Confident69.6Low130 Ų13092 Ų9261%0.60747%0.467SS*.  trans-62.3107.5175.5-75.8-175.4000107.8V134 R138V134-Q136 PolarHBondContact O-N 2.97Å; Q136-R138 PolarHBondContact O-N 3.13Å
137Y87.9Confident72.3Confident115 Ų11583.9 Ų83.945%0.45143%0.427SS..  trans-58.1134.2176-175.6-105.8000110.2K135 K140 S163K135-Y137 PolarHBondContact O-N 2.9Å; Y137-K140 HydrophobicContact CE2-CG 4.4Å; Y137-K140 WeakPolarHBondContact OH-CG 3.46Å; Y137-S163 WeakPolarHBondContact CE1-O 3.31Å
138R93.4Very high74.9Confident28 Ų2878.5 Ų78.511%0.10640%0.404CS..  trans-121.84.4-174.8-75.3171.8179.2-92.3-2.2113.6Q136 K165 I236 L258Q136-R138 PolarHBondContact O-N 3.13Å; R138-K165 HydrophobicContact CG-CD 4.34Å; R138-K165 PolarHBondContact O-N 2.99Å; R138-I236 VanDerWaalsContact CD-O 3.29Å; R138-I236 WeakPolarHBondContact CD-O 3.35Å; R138-I236 WeakPolarHBondContact CG-O 3.45Å; R138-I236 PolarHBondContact NH1-O 3.3Å; R138-L258 HydrophobicContact CB-CB 3.98Å
139G95Very high77.3Confident0 Ų072.6 Ų72.60%038%0.378CS..  trans92.1-179.9-171.900000112.8D162 S163 L258G139-D162 CarbonylContact C-O 3.47Å; G139-D162 WeakPolarHBondContact CA-O 2.99Å; G139-S163 WeakPolarHBondContact CA-O 3.45Å; G139-S163 PolarHBondContact N-O 3.47Å; G139-L258 WeakPolarHBondContact O-CB 3.2Å; G139-L258 PolarHBondContact O-N 2.7Å
140K97Very high79.7Confident70 Ų7073.5 Ų73.530%0.30438%0.384SS..EExtended strand (participates in β ladder)trans-123.6155.6177.7-44-164.6-174.7-124.10110.4Y137 A161 D162 W255 Q256 D257Y137-K140 HydrophobicContact CE2-CG 4.4Å; Y137-K140 WeakPolarHBondContact OH-CG 3.46Å; K140-A161 CarbonylContact O-C 3.56Å; K140-A161 VanDerWaalsContact O-CA 3.25Å; K140-A161 WeakPolarHBondContact O-CA 3.34Å; K140-A161 WeakPolarHBondContact O-CB 3.34Å; K140-D162 PolarHBondContact N-O 3.37Å; K140-D162 PolarHBondContact O-N 3.33Å; K140-W255 HydrophobicContact CB-CE3 3.68Å; K140-W255 HydrophobicContact CB-CZ3 4.06Å; K140-Q256 CarbonylContact C-O 3.49Å; K140-Q256 VanDerWaalsContact CA-O 3.26Å; K140-Q256 WeakPolarHBondContact CA-O 3.41Å; K140-D257 WeakPolarHBondContact CD-OD1 3.4Å; K140-D257 WeakPolarHBondContact CE-OD1 3.41Å; K140-D257 WeakPolarHBondContact CG-OD1 3.39Å; K140-D257 IonicContact NZ-OD1 2.77Å; K140-D257 PolarHBondContact NZ-OD1 2.62Å; K140-D257 IonicContact NZ-OD2 3.5Å
141L98.3Very high82Confident0 Ų072 Ų720%038%0.375CS..EExtended strand (participates in β ladder)trans-122.6129.4174.2-173.769.4000109.2I158 A161 V177 M222 L239 Q256 L258L141-I158 HydrophobicContact CD1-CG2 4.22Å; L141-A161 HydrophobicContact CD1-CB 3.93Å; L141-V177 HydrophobicContact CD1-CG2 4.36Å; L141-M222 HydrophobicContact CD2-CB 3.88Å; L141-M222 HydrophobicContact CD2-SD 4.2Å; L141-L239 HydrophobicContact CD2-CD2 4.35Å; L141-Q256 PolarHBondContact N-O 3.14Å; L141-Q256 PolarHBondContact O-N 2.81Å; L141-L258 HydrophobicContact CB-CD2 4.08Å
142L98.3Very high84.5Confident18 Ų1863.1 Ų63.19%0.09435%0.347CS..EExtended strand (participates in β ladder)trans-89.7116.5166.3-177.460.1000107.9K159 Q160 E253 E254 W255L142-K159 HydrophobicContact CB-CB 4.18Å; L142-K159 HydrophobicContact CD2-CB 3.94Å; L142-K159 HydrophobicContact CD2-CG 4.43Å; L142-K159 HydrophobicContact CG-CB 3.87Å; L142-K159 HydrophobicContact CG-CG 4.18Å; L142-K159 WeakPolarHBondContact O-CB 3.43Å; L142-K159 PolarHBondContact O-N 2.75Å; L142-Q160 HydrophobicContact CB-CG 3.89Å; L142-Q160 HydrophobicContact CD2-CG 3.91Å; L142-Q160 PolarHBondContact N-O 3.48Å; L142-Q160 PolarHBondContact O-N 3.07Å; L142-E253 HydrophobicContact CD1-CG 3.98Å; L142-E253 HydrophobicContact CG-CG 4.5Å; L142-E254 VanDerWaalsContact CD1-C 3.46Å; L142-E254 WeakPolarHBondContact CD1-O 3.39Å; L142-W255 HydrophobicContact CB-CD2 3.76Å; L142-W255 HydrophobicContact CB-CE3 3.78Å; L142-W255 HydrophobicContact CB-CG 4.48Å; L142-W255 HydrophobicContact CB-CH2 3.92Å; L142-W255 HydrophobicContact CB-CZ2 3.89Å; L142-W255 HydrophobicContact CB-CZ3 3.85Å; L142-W255 HydrophobicContact CD1-CD2 4.21Å; L142-W255 HydrophobicContact CD1-CG 4.1Å; L142-W255 HydrophobicContact CD2-CZ2 4.19Å; L142-W255 HydrophobicContact CG-CD2 4.46Å
143Y97.6Very high87Confident2 Ų262.8 Ų62.81%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-126.9160.1-179.875.2-80.5000109.9L145 G157 M222 L239 V241 E253 E254 Q256Y143-L145 HydrophobicContact CD2-CD1 4.17Å; Y143-L145 HydrophobicContact CD2-CD2 4.38Å; Y143-L145 HydrophobicContact CD2-CG 3.8Å; Y143-L145 HydrophobicContact CE2-CD1 3.55Å; Y143-L145 HydrophobicContact CE2-CG 3.63Å; Y143-G157 CarbonylContact C-O 3.43Å; Y143-G157 VanDerWaalsContact CA-O 3.23Å; Y143-G157 WeakPolarHBondContact CA-O 3.42Å; Y143-M222 HydrophobicContact CD2-CE 3.98Å; Y143-M222 HydrophobicContact CD2-SD 4.09Å; Y143-M222 HydrophobicContact CE2-CE 4.35Å; Y143-M222 HydrophobicContact CG-CE 4.15Å; Y143-M222 HydrophobicContact CG-SD 3.92Å; Y143-L239 HydrophobicContact CD1-CD2 3.52Å; Y143-L239 HydrophobicContact CE1-CD2 3.71Å; Y143-L239 HydrophobicContact CG-CD2 4.2Å; Y143-V241 HydrophobicContact CE1-CG2 4.28Å; Y143-V241 HydrophobicContact CE2-CG1 4.42Å; Y143-V241 HydrophobicContact CE2-CG2 3.93Å; Y143-V241 WeakPolarHBondContact OH-CG2 3.41Å; Y143-E253 WeakPolarHBondContact O-CA 3.25Å; Y143-E254 HydrophobicContact CD1-CG 4.46Å; Y143-E254 WeakPolarHBondContact CD1-O 3.19Å; Y143-E254 HydrophobicContact CE1-CG 3.57Å; Y143-E254 PolarHBondContact N-O 2.94Å; Y143-E254 PolarHBondContact O-N 3.01Å; Y143-E254 PolarHBondContact OH-OE1 3.13Å; Y143-Q256 HydrophobicContact CE1-CB 4.08Å
144S96.4Very high89.3Confident7 Ų758.4 Ų58.45%0.04930%0.299CS..EExtended strand (participates in β ladder)trans-127.2144.9170.270.70000111.8V156 G157 K159 I252S144-V156 CarbonylContact O-C 3.59Å; S144-V156 WeakPolarHBondContact O-CA 3.42Å; S144-G157 PolarHBondContact N-O 2.96Å; S144-G157 PolarHBondContact O-N 2.71Å; S144-G157 WeakPolarHBondContact OG-CA 3.09Å; S144-K159 WeakPolarHBondContact OG-CE 3.42Å; S144-I252 CarbonylContact C-O 3.4Å; S144-I252 WeakPolarHBondContact CA-O 3.41Å; S144-I252 WeakPolarHBondContact CB-O 3.39Å
145L95.7Very high91.5Very high0 Ų053.5 Ų53.50%027%0.27CS..EExtended strand (participates in β ladder)trans-129.5131.3173.9-62.8175.2000109.7Y143 T155 V156 A220 V241 L243 I246 I252Y143-L145 HydrophobicContact CD2-CD1 4.17Å; Y143-L145 HydrophobicContact CD2-CD2 4.38Å; Y143-L145 HydrophobicContact CD2-CG 3.8Å; Y143-L145 HydrophobicContact CE2-CD1 3.55Å; Y143-L145 HydrophobicContact CE2-CG 3.63Å; L145-T155 WeakPolarHBondContact CA-O 3.21Å; L145-V156 HydrophobicContact CD2-CB 4.08Å; L145-V156 HydrophobicContact CD2-CG1 3.82Å; L145-V156 HydrophobicContact CD2-CG2 3.68Å; L145-A220 HydrophobicContact CD2-CB 4.5Å; L145-V241 HydrophobicContact CD1-CB 4.26Å; L145-V241 HydrophobicContact CD1-CG1 3.77Å; L145-L243 HydrophobicContact CD1-CD2 3.93Å; L145-I246 HydrophobicContact CB-CD1 4.02Å; L145-I246 HydrophobicContact CD1-CD1 3.75Å; L145-I246 HydrophobicContact CG-CD1 4.44Å; L145-I252 HydrophobicContact CB-CB 4.38Å; L145-I252 PolarHBondContact N-O 2.8Å; L145-I252 PolarHBondContact O-N 2.79Å
146E94.4Very high93.4Very high94 Ų9444 Ų4444%0.43923%0.228SC..EExtended strand (participates in β ladder)trans-138.9129.7176.2-178-179.9-177.600108.9T155 V251E146-T155 PolarHBondContact N-O 3.01Å; E146-T155 PolarHBondContact O-N 2.87Å; E146-V251 HydrophobicContact CB-CG1 4.48Å; E146-V251 HydrophobicContact CB-CG2 4.13Å; E146-V251 HydrophobicContact CG-CG2 3.93Å
147Y94.1Very high94.5Very high6 Ų637.8 Ų37.82%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-114.8115.7178.4-175.7-108000111.6A149 E153 L154 L210 S211 K212 L215Y147-A149 HydrophobicContact CD1-CB 4.37Å; Y147-A149 HydrophobicContact CE1-CB 4Å; Y147-A149 PolarHBondContact O-N 3.03Å; Y147-E153 VanDerWaalsContact CD2-O 3.28Å; Y147-E153 WeakPolarHBondContact CD2-O 3.36Å; Y147-L154 HydrophobicContact CD2-CB 4.09Å; Y147-L154 HydrophobicContact CD2-CD1 4.36Å; Y147-L210 WeakPolarHBondContact CE2-O 3.46Å; Y147-L210 PolarHBondContact OH-O 2.83Å; Y147-S211 VanDerWaalsContact OH-C 3.32Å; Y147-K212 PolarHBondContact OH-N 3.1Å; Y147-K212 VanDerWaalsContact OH-N 3.08Å; Y147-L215 HydrophobicContact CD1-CD2 3.75Å; Y147-L215 HydrophobicContact CD2-CD1 3.92Å; Y147-L215 HydrophobicContact CD2-CD2 4.07Å; Y147-L215 HydrophobicContact CE1-CD2 3.94Å; Y147-L215 HydrophobicContact CE2-CD1 4.19Å; Y147-L215 HydrophobicContact CE2-CD2 4.26Å; Y147-L215 HydrophobicContact CG-CD1 4.35Å; Y147-L215 HydrophobicContact CG-CD2 3.8Å
148N92.4Very high95Very high61 Ų6132.3 Ų32.333%0.32618%0.178SC..EExtended strand (participates in β ladder)trans-90.7103172.7-171.9-35.9000110T150 L151 S152 E153N148-T150 VanDerWaalsContact C-N 3.31Å; N148-T150 PolarHBondContact O-N 2.87Å; N148-T150 WeakPolarHBondContact OD1-CB 3.31Å; N148-T150 PolarHBondContact OD1-N 3.28Å; N148-L151 HydrophobicContact CB-CB 4.36Å; N148-L151 PolarHBondContact O-N 3.06Å; N148-L151 PolarHBondContact OD1-N 3.39Å; N148-S152 WeakPolarHBondContact O-CA 3.43Å; N148-S152 PolarHBondContact O-N 2.83Å; N148-E153 PolarHBondContact N-O 2.94Å; N148-E153 PolarHBondContact O-N 3.39Å
149A88.9Confident95.2Very high45 Ų4532.6 Ų32.637%0.37218%0.18SC..THydrogen-bonded Turntrans-66.1-31.3-179.100000113.6Y147Y147-A149 HydrophobicContact CD1-CB 4.37Å; Y147-A149 HydrophobicContact CE1-CB 4Å; Y147-A149 PolarHBondContact O-N 3.03Å
150T90.8Very high95.3Very high132 Ų13235.6 Ų35.681%0.8119%0.194SC*.THydrogen-bonded Turntrans-68.8-40.7-179.9-530000111.1N148N148-T150 VanDerWaalsContact C-N 3.31Å; N148-T150 PolarHBondContact O-N 2.87Å; N148-T150 WeakPolarHBondContact OD1-CB 3.31Å; N148-T150 PolarHBondContact OD1-N 3.28Å
151L91.6Very high95.4Very high93 Ų9332.4 Ų32.449%0.48718%0.18SC..THydrogen-bonded Turntrans-89.7-10.5179-59.9-179.3000113.1N148 E153N148-L151 HydrophobicContact CB-CB 4.36Å; N148-L151 PolarHBondContact O-N 3.06Å; N148-L151 PolarHBondContact OD1-N 3.39Å; L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 HydrophobicContact CB-CB 4.14Å; L151-E153 HydrophobicContact CB-CG 3.91Å; L151-E153 PolarHBondContact O-N 2.89Å
152S93.2Very high95.3Very high46 Ų4635.3 Ų35.332%0.32220%0.196SC..THydrogen-bonded Turntrans54.844.4-168.8-62.20000112.1N148 L210N148-S152 WeakPolarHBondContact O-CA 3.43Å; N148-S152 PolarHBondContact O-N 2.83Å; S152-L210 CarbonylContact C-O 3.48Å; S152-L210 CarbonylContact O-C 3.58Å; S152-L210 PolarHBondContact O-N 3.12Å
153E93.9Very high95.1Very high52 Ų5237 Ų3724%0.24321%0.209CC..EExtended strand (participates in β ladder)trans-121131.2-175.2-75.3-178.5175.600111.5Y147 N148 L151 T207 F208 Q209Y147-E153 VanDerWaalsContact CD2-O 3.28Å; Y147-E153 WeakPolarHBondContact CD2-O 3.36Å; N148-E153 PolarHBondContact N-O 2.94Å; N148-E153 PolarHBondContact O-N 3.39Å; L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 HydrophobicContact CB-CB 4.14Å; L151-E153 HydrophobicContact CB-CG 3.91Å; L151-E153 PolarHBondContact O-N 2.89Å; E153-T207 HydrophobicContact CB-CG2 3.9Å; E153-T207 HydrophobicContact CG-CG2 3.97Å; E153-F208 WeakPolarHBondContact CA-O 3.23Å; E153-Q209 PolarHBondContact OE1-NE2 3.36Å
154L94.9Very high95Very high0 Ų037.1 Ų37.10%021%0.21CC..EExtended strand (participates in β ladder)trans-102.6121.5168.4178.275000109.2Y147 V156 I181 T207 F208 L210 L215 L243 I246Y147-L154 HydrophobicContact CD2-CB 4.09Å; Y147-L154 HydrophobicContact CD2-CD1 4.36Å; L154-V156 HydrophobicContact CD2-CG2 3.93Å; L154-V156 HydrophobicContact CG-CG2 4.07Å; L154-I181 HydrophobicContact CD2-CD1 3.78Å; L154-I181 HydrophobicContact CD2-CG1 4.49Å; L154-T207 WeakPolarHBondContact O-CA 3.49Å; L154-F208 HydrophobicContact CB-CB 4.44Å; L154-F208 PolarHBondContact N-O 2.85Å; L154-F208 PolarHBondContact O-N 3.45Å; L154-L210 HydrophobicContact CB-CD2 4.44Å; L154-L210 HydrophobicContact CD2-CD2 4.16Å; L154-L215 HydrophobicContact CD1-CD1 4.34Å; L154-L243 HydrophobicContact CD2-CD1 3.62Å; L154-L243 HydrophobicContact CD2-CD2 4.25Å; L154-I246 HydrophobicContact CD1-CD1 4.18Å
155T95.8Very high94.8Very high25 Ų2539.8 Ų39.815%0.15322%0.221CC..EExtended strand (participates in β ladder)trans-97.6122.4170.9-60.20000109.3L145 E146 Q205 F206L145-T155 WeakPolarHBondContact CA-O 3.21Å; E146-T155 PolarHBondContact N-O 3.01Å; E146-T155 PolarHBondContact O-N 2.87Å; T155-Q205 HydrophobicContact CG2-CB 4.28Å; T155-F206 CarbonylContact C-O 3.57Å; T155-F206 WeakPolarHBondContact CA-O 3.41Å
156V97.3Very high94.6Very high0 Ų041.7 Ų41.70%024%0.236CC..EExtended strand (participates in β ladder)trans-110.3114.2175.2-173.80000108.6S144 L145 L154 I158 V179 Q205 F206 F208 M222S144-V156 CarbonylContact O-C 3.59Å; S144-V156 WeakPolarHBondContact O-CA 3.42Å; L145-V156 HydrophobicContact CD2-CB 4.08Å; L145-V156 HydrophobicContact CD2-CG1 3.82Å; L145-V156 HydrophobicContact CD2-CG2 3.68Å; L154-V156 HydrophobicContact CD2-CG2 3.93Å; L154-V156 HydrophobicContact CG-CG2 4.07Å; V156-I158 HydrophobicContact CG1-CD1 4.22Å; V156-V179 HydrophobicContact CB-CG1 4.11Å; V156-V179 HydrophobicContact CG1-CG1 3.71Å; V156-V179 HydrophobicContact CG2-CG1 4.43Å; V156-Q205 WeakPolarHBondContact O-CA 2.87Å; V156-F206 PolarHBondContact N-O 2.97Å; V156-F206 PolarHBondContact O-N 2.86Å; V156-F208 HydrophobicContact CB-CE2 4.21Å; V156-F208 HydrophobicContact CG2-CD2 3.87Å; V156-F208 HydrophobicContact CG2-CE2 3.72Å; V156-M222 HydrophobicContact CG1-SD 4.27Å
157G97.6Very high94.2Very high0 Ų039.6 Ų39.60%023%0.227CC..EExtended strand (participates in β ladder)trans-96.3129.917500000111.6Y143 S144 E204Y143-G157 CarbonylContact C-O 3.43Å; Y143-G157 VanDerWaalsContact CA-O 3.23Å; Y143-G157 WeakPolarHBondContact CA-O 3.42Å; S144-G157 PolarHBondContact N-O 2.96Å; S144-G157 PolarHBondContact O-N 2.71Å; S144-G157 WeakPolarHBondContact OG-CA 3.09Å; G157-E204 CarbonylContact C-O 3.44Å; G157-E204 WeakPolarHBondContact CA-O 3.48Å
158I98.4Very high93.7Very high0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-106.3104.8170.4-53.3-56.2000107.1L141 V156 V177 V179 T191 F202 N203 E204 F206 M222L141-I158 HydrophobicContact CD1-CG2 4.22Å; V156-I158 HydrophobicContact CG1-CD1 4.22Å; I158-V177 HydrophobicContact CD1-CG1 4.29Å; I158-V177 HydrophobicContact CG1-CG1 4.48Å; I158-V177 HydrophobicContact CG2-CB 4.09Å; I158-V177 HydrophobicContact CG2-CG1 4.4Å; I158-V177 HydrophobicContact CG2-CG2 3.82Å; I158-V179 HydrophobicContact CD1-CG2 3.67Å; I158-V179 HydrophobicContact CG1-CG2 3.63Å; I158-T191 HydrophobicContact CB-CG2 4.05Å; I158-T191 HydrophobicContact CG1-CG2 4.25Å; I158-T191 HydrophobicContact CG2-CG2 3.97Å; I158-F202 HydrophobicContact CG2-CB 4.06Å; I158-F202 HydrophobicContact CG2-CD2 3.68Å; I158-F202 HydrophobicContact CG2-CE2 4.33Å; I158-F202 HydrophobicContact CG2-CG 3.98Å; I158-F202 WeakPolarHBondContact O-CB 3.48Å; I158-N203 WeakPolarHBondContact O-CA 3.45Å; I158-N203 PolarHBondContact O-N 3.48Å; I158-E204 PolarHBondContact N-O 2.71Å; I158-E204 PolarHBondContact O-N 3Å; I158-F206 HydrophobicContact CG1-CD2 4.22Å; I158-F206 HydrophobicContact CG1-CE2 3.89Å; I158-M222 HydrophobicContact CD1-CG 3.81Å; I158-M222 HydrophobicContact CD1-SD 3.78Å
159K97.5Very high92.7Very high34 Ų3447.5 Ų47.515%0.14827%0.269CS..EExtended strand (participates in β ladder)trans-88.8-67.4-171.3-56.3-65.1-174.7164.70110.9L142 S144 F202 N203 E253L142-K159 HydrophobicContact CB-CB 4.18Å; L142-K159 HydrophobicContact CD2-CB 3.94Å; L142-K159 HydrophobicContact CD2-CG 4.43Å; L142-K159 HydrophobicContact CG-CB 3.87Å; L142-K159 HydrophobicContact CG-CG 4.18Å; L142-K159 WeakPolarHBondContact O-CB 3.43Å; L142-K159 PolarHBondContact O-N 2.75Å; S144-K159 WeakPolarHBondContact OG-CE 3.42Å; K159-F202 PolarHBondContact O-N 3.31Å; K159-N203 PolarHBondContact O-N 2.9Å; K159-E253 VanDerWaalsContact CE-OE2 3.26Å; K159-E253 WeakPolarHBondContact CE-OE2 3.37Å; K159-E253 IonicContact NZ-OE2 2.92Å
160Q97.7Very high91.7Very high63 Ų6348.3 Ų48.329%0.29428%0.282SS..EExtended strand (participates in β ladder)trans-157160.3-178.356.8-177.56.100110.3L142 P200 F201 W255L142-Q160 HydrophobicContact CB-CG 3.89Å; L142-Q160 HydrophobicContact CD2-CG 3.91Å; L142-Q160 PolarHBondContact N-O 3.48Å; L142-Q160 PolarHBondContact O-N 3.07Å; Q160-P200 CarbonylContact C-O 3.58Å; Q160-P200 WeakPolarHBondContact CA-O 3.42Å; Q160-P200 VanDerWaalsContact CB-O 3.31Å; Q160-P200 WeakPolarHBondContact CB-O 3.47Å; Q160-F201 HydrophobicContact CB-CD2 3.82Å; Q160-F201 HydrophobicContact CB-CE2 4.44Å; Q160-F201 HydrophobicContact CG-CD2 4.42Å; Q160-F201 VanDerWaalsContact OE1-CD2 3.22Å; Q160-W255 HydrophobicContact CG-CH2 3.71Å; Q160-W255 HydrophobicContact CG-CZ2 3.95Å; Q160-W255 VanDerWaalsContact NE2-CZ2 3.27Å
161A97.9Very high91.2Very high2 Ų252.5 Ų52.52%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-117.1155.616800000110K140 L141 L164 N199 P200 F202K140-A161 CarbonylContact O-C 3.56Å; K140-A161 VanDerWaalsContact O-CA 3.25Å; K140-A161 WeakPolarHBondContact O-CA 3.34Å; K140-A161 WeakPolarHBondContact O-CB 3.34Å; L141-A161 HydrophobicContact CD1-CB 3.93Å; A161-L164 HydrophobicContact CB-CD1 3.91Å; A161-L164 HydrophobicContact CB-CD2 3.77Å; A161-L164 HydrophobicContact CB-CG 3.86Å; A161-N199 CarbonylContact O-C 3.57Å; A161-N199 VanDerWaalsContact O-CA 3.23Å; A161-N199 WeakPolarHBondContact O-CA 3.14Å; A161-P200 HydrophobicContact CB-CG 3.86Å; A161-P200 PolarHBondContact N-O 3.47Å; A161-F202 HydrophobicContact CB-CE2 4.19Å
162D96.7Very high91Very high61 Ų6148.7 Ų48.733%0.32626%0.264SS..EExtended strand (participates in β ladder)trans-131.3141.2178.6-177.570.9000111.1G139 K140 L164 N199 W255G139-D162 CarbonylContact C-O 3.47Å; G139-D162 WeakPolarHBondContact CA-O 2.99Å; K140-D162 PolarHBondContact N-O 3.37Å; K140-D162 PolarHBondContact O-N 3.33Å; D162-L164 PolarHBondContact O-N 3.27Å; D162-N199 WeakPolarHBondContact CA-OD1 3.42Å; D162-N199 PolarHBondContact OD1-OD1 3.09Å; D162-W255 HydrophobicContact CB-CH2 3.61Å; D162-W255 HydrophobicContact CB-CZ3 3.71Å
163S94.9Very high90.9Very high53 Ų5346.5 Ų46.537%0.37125%0.248SC..SBendtrans51.842173.7-58.10000113.1Y137 G139 L198 N199Y137-S163 WeakPolarHBondContact CE1-O 3.31Å; G139-S163 WeakPolarHBondContact CA-O 3.45Å; G139-S163 PolarHBondContact N-O 3.47Å; S163-L198 PolarHBondContact N-O 2.63Å; S163-N199 PolarHBondContact N-OD1 3.33Å
164L95.8Very high91Very high5 Ų545.7 Ų45.73%0.02625%0.246CC..PPolyproline II helixtrans-57.7149178.5-68.1-178.8000111.6A161 D162 A166 P175 L198 P200 V224 I236 L258A161-L164 HydrophobicContact CB-CD1 3.91Å; A161-L164 HydrophobicContact CB-CD2 3.77Å; A161-L164 HydrophobicContact CB-CG 3.86Å; D162-L164 PolarHBondContact O-N 3.27Å; L164-A166 PolarHBondContact O-N 2.86Å; L164-P175 HydrophobicContact CD1-CB 3.56Å; L164-P175 HydrophobicContact CD1-CG 3.95Å; L164-L198 HydrophobicContact CB-CB 4.27Å; L164-L198 HydrophobicContact CB-CD2 4.32Å; L164-L198 WeakPolarHBondContact CB-O 3.23Å; L164-L198 VanDerWaalsContact CG-O 3.31Å; L164-L198 WeakPolarHBondContact CG-O 3.47Å; L164-L198 PolarHBondContact N-O 2.85Å; L164-L198 WeakPolarHBondContact O-CD2 3.48Å; L164-P200 HydrophobicContact CD1-CG 3.92Å; L164-V224 HydrophobicContact CD1-CG1 4.02Å; L164-V224 HydrophobicContact CD2-CG1 4.18Å; L164-I236 HydrophobicContact CB-CG2 4.36Å; L164-I236 HydrophobicContact CD1-CD1 4.37Å; L164-I236 HydrophobicContact CD2-CG2 4.25Å; L164-L258 HydrophobicContact CD2-CD1 3.48Å; L164-L258 VanDerWaalsContact CD2-CD1 3.48Å
165K92.3Very high91.1Very high64 Ų6445.7 Ų45.728%0.27825%0.246SC..PPolyproline II helixtrans-69.7122.2173.8175.6178.9-179.1176.10110.4R138 M167 S173 I236R138-K165 HydrophobicContact CG-CD 4.34Å; R138-K165 PolarHBondContact O-N 2.99Å; K165-M167 HydrophobicContact CD-SD 4.1Å; K165-M167 HydrophobicContact CG-SD 4.03Å; K165-M167 PolarHBondContact O-N 3.04Å; K165-S173 PolarHBondContact O-OG 3.31Å; K165-I236 HydrophobicContact CB-CG2 4.08Å
166A90.4Very high91.2Very high39 Ų3944.8 Ų44.832%0.32224%0.24SC..PPolyproline II helixtrans-64.2125.3172.400000112.4L164 R171 S173 L198L164-A166 PolarHBondContact O-N 2.86Å; A166-R171 VanDerWaalsContact CB-O 3.31Å; A166-R171 WeakPolarHBondContact CB-O 3.47Å; A166-S173 WeakPolarHBondContact CA-OG 3.49Å; A166-L198 HydrophobicContact CB-CD1 4.31Å; A166-L198 HydrophobicContact CB-CD2 4.13Å
167M86Confident91.3Very high50 Ų5044.8 Ų44.825%0.24624%0.24CC..  trans-105.7-28.4178.5-58.4-55-60.300112.8K165 S172 S173 D226 E234 I236K165-M167 HydrophobicContact CD-SD 4.1Å; K165-M167 HydrophobicContact CG-SD 4.03Å; K165-M167 PolarHBondContact O-N 3.04Å; M167-S172 PolarHBondContact N-O 3.23Å; M167-S173 PolarHBondContact N-OG 2.79Å; M167-D226 HydrophobicContact CB-CB 3.94Å; M167-D226 WeakPolarHBondContact CB-OD2 3.29Å; M167-D226 HydrophobicContact CG-CB 3.98Å; M167-E234 HydrophobicContact CE-CB 4.01Å; M167-E234 WeakPolarHBondContact CE-OE2 3.47Å; M167-I236 HydrophobicContact CG-CD1 4.46Å; M167-I236 HydrophobicContact CG-CG1 3.72Å
168D83.2Confident91.3Very high56 Ų5647.3 Ų47.330%0.29925%0.25SS..SBendtrans-81.9157.1-178.4-75.8-44.2000114.1G170 R171 S172D168-G170 PolarHBondContact O-N 3.36Å; D168-R171 PolarHBondContact O-N 2.92Å; D168-S172 WeakPolarHBondContact CB-O 3.31Å; D168-S172 PolarHBondContact N-O 3.08Å
169L71.9Confident91.3Very high178 Ų17847.3 Ų47.393%0.93225%0.25SS*.THydrogen-bonded Turntrans-54.2-23.7174.3-75.3161.5000113.3R171L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.61Å
170G68Low91.2Very high62 Ų6245.9 Ų45.964%0.63924%0.244SC*.THydrogen-bonded Turntrans-837.8177.900000115.5D168 S172D168-G170 PolarHBondContact O-N 3.36Å; G170-S172 PolarHBondContact O-N 3.39Å
171R79.4Confident91Very high220 Ų22043.3 Ų43.383%0.8323%0.232SC*.SBendtrans59.127.4-172.4-56.3179.7173.2-175.5-2.1113.6A166 D168 L169A166-R171 VanDerWaalsContact CB-O 3.31Å; A166-R171 WeakPolarHBondContact CB-O 3.47Å; D168-R171 PolarHBondContact O-N 2.92Å; L169-R171 VanDerWaalsContact C-N 3.31Å; L169-R171 PolarHBondContact O-N 2.61Å
172S87.8Confident90.8Very high13 Ų1343.5 Ų43.59%0.09123%0.233CC..  trans-132-173.2176.7-160.10000109.9M167 D168 G170 N196 T197M167-S172 PolarHBondContact N-O 3.23Å; D168-S172 WeakPolarHBondContact CB-O 3.31Å; D168-S172 PolarHBondContact N-O 3.08Å; G170-S172 PolarHBondContact O-N 3.39Å; S172-N196 WeakPolarHBondContact CB-OD1 3.49Å; S172-N196 VanDerWaalsContact OG-CA 3.32Å; S172-N196 WeakPolarHBondContact OG-CA 3.49Å; S172-N196 PolarHBondContact OG-O 2.8Å; S172-N196 PolarHBondContact OG-OD1 2.88Å; S172-T197 PolarHBondContact OG-N 2.9Å
173S92.6Very high90.2Very high0 Ų043 Ų430%023%0.233CC..  trans-150.5162.8174.5-62.90000109.8K165 A166 M167 P175 N196 T197 D226K165-S173 PolarHBondContact O-OG 3.31Å; A166-S173 WeakPolarHBondContact CA-OG 3.49Å; M167-S173 PolarHBondContact N-OG 2.79Å; S173-P175 WeakPolarHBondContact O-CD 3.31Å; S173-N196 CarbonylContact O-C 3.6Å; S173-N196 VanDerWaalsContact O-CA 3.29Å; S173-N196 WeakPolarHBondContact O-CA 3.32Å; S173-N196 PolarHBondContact O-N 3.28Å; S173-N196 VanDerWaalsContact O-N 3.13Å; S173-T197 PolarHBondContact O-N 3.03Å; S173-D226 VanDerWaalsContact CA-OD1 3.31Å; S173-D226 WeakPolarHBondContact CA-OD1 3.35Å; S173-D226 VanDerWaalsContact CB-OD1 3.28Å; S173-D226 WeakPolarHBondContact CB-OD1 3.39Å
174D95.1Very high89.7Confident34 Ų3445.8 Ų45.818%0.18224%0.244CC..  trans-10671.6171-69.7-15.2000109.5V193 F194 K195 N196 D226 F227D174-V193 HydrophobicContact CB-CG1 4.05Å; D174-F194 CarbonylContact C-O 3.58Å; D174-F194 VanDerWaalsContact C-O 3.24Å; D174-F194 WeakPolarHBondContact CA-O 3.22Å; D174-K195 VanDerWaalsContact OD1-CA 3.25Å; D174-K195 WeakPolarHBondContact OD1-CA 3.02Å; D174-N196 PolarHBondContact OD1-N 3.48Å; D174-D226 PolarHBondContact N-OD1 3.41Å; D174-F227 HydrophobicContact CB-CB 3.87Å; D174-F227 WeakPolarHBondContact O-CB 2.81Å; D174-F227 PolarHBondContact O-N 3.13Å
175P97.2Very high89.3Confident0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-70.9143.2-167.629-39.3000114.3L164 S173 F194 T197 P200 F202 V224 F225 I236L164-P175 HydrophobicContact CD1-CB 3.56Å; L164-P175 HydrophobicContact CD1-CG 3.95Å; S173-P175 WeakPolarHBondContact O-CD 3.31Å; P175-F194 WeakPolarHBondContact CD-O 3.25Å; P175-F194 HydrophobicContact CG-CB 4.47Å; P175-F194 PolarHBondContact O-N 2.93Å; P175-T197 WeakPolarHBondContact CD-O 3.44Å; P175-T197 HydrophobicContact CG-CG2 3.92Å; P175-T197 WeakPolarHBondContact CG-O 2.84Å; P175-P200 HydrophobicContact CB-CG 4.04Å; P175-P200 HydrophobicContact CG-CB 3.8Å; P175-P200 HydrophobicContact CG-CG 3.55Å; P175-F202 HydrophobicContact CB-CZ 4.36Å; P175-V224 HydrophobicContact CB-CG1 4.39Å; P175-F225 CarbonylContact C-O 3.58Å; P175-F225 VanDerWaalsContact CA-O 3.25Å; P175-F225 WeakPolarHBondContact CA-O 3.27Å; P175-I236 HydrophobicContact CB-CD1 4.39Å
176Y98.1Very high88.8Confident7 Ų748.9 Ų48.93%0.02727%0.273CS..EExtended strand (participates in β ladder)trans-148.6158.1163.576.6-76.9000110.5K178 E190 T191 V193 F225 F227 H233Y176-K178 HydrophobicContact CE2-CG 3.89Å; Y176-K178 VanDerWaalsContact OH-CE 3.3Å; Y176-K178 WeakPolarHBondContact OH-CE 3.29Å; Y176-E190 HydrophobicContact CD2-CB 4.34Å; Y176-E190 HydrophobicContact CE2-CB 4.45Å; Y176-T191 WeakPolarHBondContact CA-OG1 3.33Å; Y176-V193 HydrophobicContact CD1-CG2 4.17Å; Y176-V193 HydrophobicContact CG-CG2 4.09Å; Y176-F225 HydrophobicContact CD1-CB 3.76Å; Y176-F225 HydrophobicContact CE1-CB 3.25Å; Y176-F225 HydrophobicContact CE1-CG 4.16Å; Y176-F225 HydrophobicContact CE2-CB 4.34Å; Y176-F225 HydrophobicContact CG-CB 4.46Å; Y176-F225 PolarHBondContact N-O 3.16Å; Y176-F225 PolarHBondContact O-N 3.21Å; Y176-F227 HydrophobicContact CD1-CB 4.04Å; Y176-F227 HydrophobicContact CE1-CB 4.15Å; Y176-H233 AromaticContact CE1-ND1 3.49Å; Y176-H233 WeakPolarHBondContact CE1-ND1 3.16Å; Y176-H233 AromaticContact CZ-ND1 3.53Å; Y176-H233 PolarHBondContact OH-ND1 3.39Å
177V98.4Very high88.8Confident0 Ų052 Ų520%028%0.28CS..EExtended strand (participates in β ladder)trans-114.7130-174.9-170.30000110.2L141 I158 V179 E190 T191 F202 M222 K223 V224L141-V177 HydrophobicContact CD1-CG2 4.36Å; I158-V177 HydrophobicContact CD1-CG1 4.29Å; I158-V177 HydrophobicContact CG1-CG1 4.48Å; I158-V177 HydrophobicContact CG2-CB 4.09Å; I158-V177 HydrophobicContact CG2-CG1 4.4Å; I158-V177 HydrophobicContact CG2-CG2 3.82Å; V177-V179 HydrophobicContact CG1-CG2 4.11Å; V177-E190 CarbonylContact O-C 3.45Å; V177-E190 WeakPolarHBondContact O-CA 3.33Å; V177-T191 HydrophobicContact CB-CG2 3.91Å; V177-T191 HydrophobicContact CG2-CG2 4.46Å; V177-T191 PolarHBondContact N-OG1 2.91Å; V177-T191 PolarHBondContact O-N 3.41Å; V177-F202 HydrophobicContact CG2-CD2 4.32Å; V177-F202 HydrophobicContact CG2-CE1 4.27Å; V177-F202 HydrophobicContact CG2-CE2 3.72Å; V177-F202 HydrophobicContact CG2-CZ 3.69Å; V177-M222 HydrophobicContact CG1-CB 4.18Å; V177-K223 CarbonylContact C-O 3.38Å; V177-K223 WeakPolarHBondContact CA-O 2.98Å; V177-V224 HydrophobicContact CG2-CG2 4.13Å
178K97.8Very high89.2Confident52 Ų5253.5 Ų53.523%0.22629%0.288CS..EExtended strand (participates in β ladder)trans-94.7131.8165.4-58.8-160.6-172.1-147.50110Y176 I188 F189 E190 M222 K223 F225Y176-K178 HydrophobicContact CE2-CG 3.89Å; Y176-K178 VanDerWaalsContact OH-CE 3.3Å; Y176-K178 WeakPolarHBondContact OH-CE 3.29Å; K178-I188 HydrophobicContact CB-CG2 4.37Å; K178-I188 HydrophobicContact CD-CG2 4.43Å; K178-F189 CarbonylContact C-O 3.55Å; K178-F189 VanDerWaalsContact CA-O 3.28Å; K178-F189 WeakPolarHBondContact CA-O 3.05Å; K178-E190 HydrophobicContact CD-CG 4.37Å; K178-E190 WeakPolarHBondContact CD-OE1 3.14Å; K178-E190 WeakPolarHBondContact CE-OE1 3.25Å; K178-E190 HydrophobicContact CG-CG 4.04Å; K178-E190 IonicContact NZ-OE1 2.63Å; K178-E190 PolarHBondContact NZ-OE1 2.83Å; K178-M222 WeakPolarHBondContact O-CA 3.3Å; K178-K223 PolarHBondContact N-O 2.9Å; K178-K223 PolarHBondContact O-N 3.23Å; K178-F225 HydrophobicContact CB-CD2 4.37Å; K178-F225 HydrophobicContact CB-CE2 4.03Å; K178-F225 HydrophobicContact CD-CD2 4.17Å; K178-F225 HydrophobicContact CD-CE2 3.65Å; K178-F225 HydrophobicContact CD-CZ 4.15Å; K178-F225 HydrophobicContact CG-CD2 3.76Å; K178-F225 HydrophobicContact CG-CE2 3.62Å
179V97.6Very high89.9Confident0 Ų053.2 Ų53.20%028%0.284CS..EExtended strand (participates in β ladder)trans-122.3128.3-178.7-169.50000109.5V156 I158 V177 F189 F206 F208 V221 M222V156-V179 HydrophobicContact CB-CG1 4.11Å; V156-V179 HydrophobicContact CG1-CG1 3.71Å; V156-V179 HydrophobicContact CG2-CG1 4.43Å; I158-V179 HydrophobicContact CD1-CG2 3.67Å; I158-V179 HydrophobicContact CG1-CG2 3.63Å; V177-V179 HydrophobicContact CG1-CG2 4.11Å; V179-F189 PolarHBondContact N-O 2.92Å; V179-F189 PolarHBondContact O-N 3.2Å; V179-F206 HydrophobicContact CB-CD2 4.15Å; V179-F206 HydrophobicContact CG2-CD2 3.83Å; V179-F206 HydrophobicContact CG2-CE2 3.87Å; V179-F208 HydrophobicContact CB-CZ 4.44Å; V179-F208 HydrophobicContact CG1-CE2 3.96Å; V179-F208 HydrophobicContact CG1-CZ 3.92Å; V179-V221 WeakPolarHBondContact CA-O 3.37Å; V179-M222 HydrophobicContact CG1-CG 4.25Å; V179-M222 HydrophobicContact CG2-CG 4.34Å
180Y95.9Very high91.1Very high5 Ų549.3 Ų49.32%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-155.7162.6175.355.3-86.3000110.2L182 K185 K187 I188 V221 K223 E265Y180-L182 HydrophobicContact CD2-CD2 4.23Å; Y180-L182 HydrophobicContact CD2-CG 4.2Å; Y180-L182 HydrophobicContact CE2-CD1 4.3Å; Y180-L182 HydrophobicContact CE2-CD2 4.09Å; Y180-L182 HydrophobicContact CE2-CG 3.98Å; Y180-K185 HydrophobicContact CD2-CD 4.22Å; Y180-K185 HydrophobicContact CD2-CG 3.71Å; Y180-K185 HydrophobicContact CE2-CD 4.3Å; Y180-K185 HydrophobicContact CE2-CG 4.28Å; Y180-K185 HydrophobicContact CG-CG 4.11Å; Y180-K187 WeakPolarHBondContact CB-O 3.28Å; Y180-I188 HydrophobicContact CD1-CG2 4.3Å; Y180-V221 HydrophobicContact CD2-CB 4Å; Y180-V221 HydrophobicContact CD2-CG2 4.36Å; Y180-V221 HydrophobicContact CE1-CB 4.22Å; Y180-V221 HydrophobicContact CE1-CG1 4.04Å; Y180-V221 HydrophobicContact CE2-CB 3.57Å; Y180-V221 HydrophobicContact CE2-CG1 3.83Å; Y180-V221 HydrophobicContact CE2-CG2 3.88Å; Y180-V221 VanDerWaalsContact CZ-CG1 3.45Å; Y180-V221 PolarHBondContact N-O 2.82Å; Y180-V221 VanDerWaalsContact N-O 3.1Å; Y180-V221 PolarHBondContact O-N 3.41Å; Y180-V221 VanDerWaalsContact OH-CG1 3.25Å; Y180-V221 WeakPolarHBondContact OH-CG1 3.03Å; Y180-K223 HydrophobicContact CE1-CD 4.3Å; Y180-K223 VanDerWaalsContact OH-CD 3.31Å; Y180-K223 WeakPolarHBondContact OH-CD 3.49Å; Y180-K223 WeakPolarHBondContact OH-CE 3.29Å; Y180-K223 PolarHBondContact OH-NZ 3.22Å; Y180-K223 VanDerWaalsContact OH-NZ 3.08Å; Y180-E265 PolarHBondContact OH-OE1 3.16Å; Y180-E265 PolarHBondContact OH-OE2 3.24Å
181I94.8Very high92.6Very high8 Ų846.7 Ų46.74%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-102.4143.8177.8-51.1-53.6000108.3L154 D184 F208 L210 T219 A220 L243L154-I181 HydrophobicContact CD2-CD1 3.78Å; L154-I181 HydrophobicContact CD2-CG1 4.49Å; I181-D184 CarbonylContact O-C 3.52Å; I181-F208 HydrophobicContact CD1-CD2 4.23Å; I181-F208 HydrophobicContact CD1-CE2 4.27Å; I181-F208 HydrophobicContact CD1-CG 4.34Å; I181-F208 HydrophobicContact CD1-CZ 4.4Å; I181-F208 HydrophobicContact CG1-CB 4.29Å; I181-F208 HydrophobicContact CG1-CD1 3.7Å; I181-F208 HydrophobicContact CG1-CD2 4.2Å; I181-F208 HydrophobicContact CG1-CE1 3.96Å; I181-F208 HydrophobicContact CG1-CE2 4.44Å; I181-F208 HydrophobicContact CG1-CG 3.81Å; I181-F208 HydrophobicContact CG1-CZ 4.3Å; I181-L210 HydrophobicContact CG2-CD2 4.33Å; I181-T219 CarbonylContact C-O 3.52Å; I181-T219 WeakPolarHBondContact CA-O 3.25Å; I181-A220 HydrophobicContact CD1-CB 3.81Å; I181-L243 HydrophobicContact CD1-CD1 4.29Å; I181-L243 HydrophobicContact CG2-CD1 4.17Å
182L92.4Very high93.5Very high7 Ų743.3 Ų43.34%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-112.7147.5167.5-72.2179.7000108.8Y180 K185 S218 T219 V221 R240 E267Y180-L182 HydrophobicContact CD2-CD2 4.23Å; Y180-L182 HydrophobicContact CD2-CG 4.2Å; Y180-L182 HydrophobicContact CE2-CD1 4.3Å; Y180-L182 HydrophobicContact CE2-CD2 4.09Å; Y180-L182 HydrophobicContact CE2-CG 3.98Å; L182-K185 HydrophobicContact CD2-CB 4.24Å; L182-K185 HydrophobicContact CD2-CG 4.5Å; L182-S218 CarbonylContact O-C 3.44Å; L182-S218 WeakPolarHBondContact O-CA 3.32Å; L182-S218 WeakPolarHBondContact O-CB 3.34Å; L182-T219 PolarHBondContact N-O 3.07Å; L182-T219 PolarHBondContact O-N 3.4Å; L182-V221 HydrophobicContact CB-CG2 4.44Å; L182-V221 HydrophobicContact CD1-CG2 3.7Å; L182-V221 HydrophobicContact CG-CG2 3.87Å; L182-R240 VanDerWaalsContact CD1-NH1 3.27Å; L182-E267 HydrophobicContact CD2-CG 4.1Å
183P85.3Confident93.9Very high50 Ų5045.5 Ų45.533%0.32524%0.237SC..SBendcis-80.7-14.8830.9-35.4000115.3K185 N268P183-K185 PolarHBondContact O-N 2.86Å; P183-N268 HydrophobicContact CB-CB 3.59Å; P183-N268 HydrophobicContact CG-CB 4.32Å
184D84.6Confident94.1Very high112 Ų11248.7 Ų48.760%0.59925%0.25SS*.  trans-85.196.6-178.4-178.612.5000112.7I181 A186I181-D184 CarbonylContact O-C 3.52Å; D184-A186 VanDerWaalsContact C-N 3.3Å; D184-A186 PolarHBondContact O-N 2.88Å; D184-A186 WeakPolarHBondContact OD1-CB 3.41Å; D184-A186 PolarHBondContact OD1-N 2.88Å
185K86.3Confident94Very high46 Ų4655.1 Ų55.120%0.228%0.277CS..  trans-90.724.7179.1-155.1-174.1-176.4-177.90113.7Y180 L182 P183 K187 I188 E265 E267Y180-K185 HydrophobicContact CD2-CD 4.22Å; Y180-K185 HydrophobicContact CD2-CG 3.71Å; Y180-K185 HydrophobicContact CE2-CD 4.3Å; Y180-K185 HydrophobicContact CE2-CG 4.28Å; Y180-K185 HydrophobicContact CG-CG 4.11Å; L182-K185 HydrophobicContact CD2-CB 4.24Å; L182-K185 HydrophobicContact CD2-CG 4.5Å; P183-K185 PolarHBondContact O-N 2.86Å; K185-K187 VanDerWaalsContact C-N 3.29Å; K185-K187 PolarHBondContact O-N 3.19Å; K185-I188 HydrophobicContact CD-CD1 4.47Å; K185-I188 HydrophobicContact CG-CD1 4.2Å; K185-I188 HydrophobicContact CG-CG1 4.23Å; K185-E265 IonicContact NZ-OE1 3.22Å; K185-E267 HydrophobicContact CB-CG 4.42Å; K185-E267 HydrophobicContact CD-CG 4.09Å; K185-E267 WeakPolarHBondContact CD-OE1 3.09Å; K185-E267 IonicContact NZ-OE1 3.94Å; K185-E267 PolarHBondContact NZ-OE1 3.39Å
186A82.3Confident93.8Very high87 Ų8760.8 Ų60.872%0.71931%0.307SS*.SBendtrans-61.9-35.8-179.600000112.9D184D184-A186 VanDerWaalsContact C-N 3.3Å; D184-A186 PolarHBondContact O-N 2.88Å; D184-A186 WeakPolarHBondContact OD1-CB 3.41Å; D184-A186 PolarHBondContact OD1-N 2.88Å
187K90.1Very high93.7Very high105 Ų10562.1 Ų62.146%0.45732%0.316SS..  trans-114.4123.5-178.1-156.1177.4-168.4-171.90110.9Y180 K185 F189 T207 F208Y180-K187 WeakPolarHBondContact CB-O 3.28Å; K185-K187 VanDerWaalsContact C-N 3.29Å; K185-K187 PolarHBondContact O-N 3.19Å; K187-F189 HydrophobicContact CD-CE2 3.62Å; K187-F189 HydrophobicContact CD-CZ 3.68Å; K187-F189 HydrophobicContact CG-CD2 4.42Å; K187-F189 HydrophobicContact CG-CE2 3.94Å; K187-F189 HydrophobicContact CG-CZ 4.19Å; K187-F189 VanDerWaalsContact NZ-CZ 3.29Å; K187-T207 PolarHBondContact NZ-O 3.46Å; K187-F208 HydrophobicContact CB-CD1 4.39Å; K187-F208 HydrophobicContact CB-CE1 4.32Å; K187-F208 HydrophobicContact CD-CD1 4.48Å
188I95.1Very high93.5Very high81 Ų8164.3 Ų64.342%0.41533%0.328SS..EExtended strand (participates in β ladder)trans-123.3124.6175.3-53.6174.7000107.5K178 Y180 K185K178-I188 HydrophobicContact CB-CG2 4.37Å; K178-I188 HydrophobicContact CD-CG2 4.43Å; Y180-I188 HydrophobicContact CD1-CG2 4.3Å; K185-I188 HydrophobicContact CD-CD1 4.47Å; K185-I188 HydrophobicContact CG-CD1 4.2Å; K185-I188 HydrophobicContact CG-CG1 4.23Å
189F97.6Very high93.5Very high50 Ų5066.1 Ų66.122%0.21934%0.34CS..EExtended strand (participates in β ladder)trans-104.5154.1171.8-66-80.3000110.8K178 V179 K187 F206 T207 F208K178-F189 CarbonylContact C-O 3.55Å; K178-F189 VanDerWaalsContact CA-O 3.28Å; K178-F189 WeakPolarHBondContact CA-O 3.05Å; V179-F189 PolarHBondContact N-O 2.92Å; V179-F189 PolarHBondContact O-N 3.2Å; K187-F189 HydrophobicContact CD-CE2 3.62Å; K187-F189 HydrophobicContact CD-CZ 3.68Å; K187-F189 HydrophobicContact CG-CD2 4.42Å; K187-F189 HydrophobicContact CG-CE2 3.94Å; K187-F189 HydrophobicContact CG-CZ 4.19Å; K187-F189 VanDerWaalsContact NZ-CZ 3.29Å; F189-F206 HydrophobicContact CB-CB 4.22Å; F189-F206 HydrophobicContact CB-CD1 3.43Å; F189-F206 VanDerWaalsContact CB-CD1 3.43Å; F189-F206 HydrophobicContact CB-CD2 4.11Å; F189-F206 HydrophobicContact CB-CE1 3.71Å; F189-F206 HydrophobicContact CB-CE2 4.34Å; F189-F206 HydrophobicContact CB-CG 3.64Å; F189-F206 HydrophobicContact CB-CZ 4.15Å; F189-F206 HydrophobicContact CD1-CB 4.49Å; F189-F206 AromaticContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CE1 4.24Å; F189-F206 HydrophobicContact CD1-CG 4.32Å; F189-F206 HydrophobicContact CD2-CB 3.67Å; F189-F206 HydrophobicContact CD2-CD1 4.18Å; F189-F206 HydrophobicContact CD2-CG 4.05Å; F189-F206 HydrophobicContact CE1-CD1 4.27Å; F189-F206 HydrophobicContact CE2-CB 3.91Å; F189-F206 HydrophobicContact CG-CB 3.91Å; F189-F206 AromaticContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CE1 4.21Å; F189-F206 AromaticContact CG-CG 3.79Å; F189-F206 HydrophobicContact CG-CG 3.79Å; F189-F206 HydrophobicContact CZ-CB 4.38Å; F189-T207 WeakPolarHBondContact CE2-O 3.3Å; F189-T207 WeakPolarHBondContact CZ-O 3.36Å; F189-F208 HydrophobicContact CD2-CD1 4.49Å; F189-F208 AromaticContact CD2-CE1 3.69Å; F189-F208 HydrophobicContact CD2-CE1 3.69Å; F189-F208 AromaticContact CD2-CE2 3.96Å; F189-F208 HydrophobicContact CD2-CE2 3.96Å; F189-F208 AromaticContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CE2-CD1 4.1Å; F189-F208 HydrophobicContact CE2-CD2 4.39Å; F189-F208 AromaticContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE2 4.05Å; F189-F208 HydrophobicContact CE2-CG 4.43Å; F189-F208 AromaticContact CE2-CZ 3.74Å; F189-F208 HydrophobicContact CE2-CZ 3.74Å
190E97.9Very high93.5Very high96 Ų9666.2 Ų66.245%0.44934%0.34SS..EExtended strand (participates in β ladder)trans-131.5136.2176.5-50.7-165.7161.900109Y176 V177 K178Y176-E190 HydrophobicContact CD2-CB 4.34Å; Y176-E190 HydrophobicContact CE2-CB 4.45Å; V177-E190 CarbonylContact O-C 3.45Å; V177-E190 WeakPolarHBondContact O-CA 3.33Å; K178-E190 HydrophobicContact CD-CG 4.37Å; K178-E190 WeakPolarHBondContact CD-OE1 3.14Å; K178-E190 WeakPolarHBondContact CE-OE1 3.25Å; K178-E190 HydrophobicContact CG-CG 4.04Å; K178-E190 IonicContact NZ-OE1 2.63Å; K178-E190 PolarHBondContact NZ-OE1 2.83Å
191T98.4Very high93.5Very high8 Ų871.5 Ų71.55%0.04936%0.364CS..PPolyproline II helixtrans-72.8168.5169.367.60000110.6I158 Y176 V177 F202 E204 F206I158-T191 HydrophobicContact CB-CG2 4.05Å; I158-T191 HydrophobicContact CG1-CG2 4.25Å; I158-T191 HydrophobicContact CG2-CG2 3.97Å; Y176-T191 WeakPolarHBondContact CA-OG1 3.33Å; V177-T191 HydrophobicContact CB-CG2 3.91Å; V177-T191 HydrophobicContact CG2-CG2 4.46Å; V177-T191 PolarHBondContact N-OG1 2.91Å; V177-T191 PolarHBondContact O-N 3.41Å; T191-F202 HydrophobicContact CG2-CB 4.42Å; T191-F202 HydrophobicContact CG2-CD1 4.13Å; T191-F202 HydrophobicContact CG2-CG 4.34Å; T191-F202 WeakPolarHBondContact OG1-CD1 2.91Å; T191-F202 WeakPolarHBondContact OG1-CE1 3.42Å; T191-E204 WeakPolarHBondContact CA-OE1 3.28Å; T191-E204 VanDerWaalsContact CB-OE1 3.31Å; T191-E204 WeakPolarHBondContact CB-OE1 3.31Å; T191-E204 HydrophobicContact CG2-CB 4.41Å; T191-F206 HydrophobicContact CG2-CE2 3.88Å; T191-F206 HydrophobicContact CG2-CZ 3.9Å
192K97.4Very high93.6Very high149 Ų14971.7 Ų71.765%0.64836%0.364SS*.PPolyproline II helixtrans-60.3151.4164.1-65174.2-174.81710110.7F194 E204K192-F194 HydrophobicContact CB-CE2 4.26Å; K192-E204 WeakPolarHBondContact CB-OE1 3.39Å; K192-E204 PolarHBondContact N-OE1 3.35Å
193V97.4Very high93.9Very high59 Ų5975.7 Ų75.736%0.35839%0.385SS..PPolyproline II helixtrans-85.6125.7174.7-178.80000109.2D174 Y176 F227D174-V193 HydrophobicContact CB-CG1 4.05Å; Y176-V193 HydrophobicContact CD1-CG2 4.17Å; Y176-V193 HydrophobicContact CG-CG2 4.09Å; V193-F227 HydrophobicContact CG1-CB 3.59Å; V193-F227 HydrophobicContact CG1-CD1 4.32Å; V193-F227 HydrophobicContact CG1-CG 3.93Å; V193-F227 HydrophobicContact CG2-CB 4.17Å; V193-F227 HydrophobicContact CG2-CD2 4.02Å; V193-F227 HydrophobicContact CG2-CG 4.17Å
194F95.9Very high94.5Very high66 Ų6675 Ų7529%0.28938%0.378SS..PPolyproline II helixtrans-101.1127.3172.7-74.8-101.7000108.9D174 P175 K192 T197 P200 F201 F202D174-F194 CarbonylContact C-O 3.58Å; D174-F194 VanDerWaalsContact C-O 3.24Å; D174-F194 WeakPolarHBondContact CA-O 3.22Å; P175-F194 WeakPolarHBondContact CD-O 3.25Å; P175-F194 HydrophobicContact CG-CB 4.47Å; P175-F194 PolarHBondContact O-N 2.93Å; K192-F194 HydrophobicContact CB-CE2 4.26Å; F194-T197 HydrophobicContact CB-CG2 3.64Å; F194-P200 HydrophobicContact CB-CB 3.94Å; F194-P200 HydrophobicContact CD2-CB 4.26Å; F194-P200 HydrophobicContact CG-CB 4.01Å; F194-F201 WeakPolarHBondContact CE1-O 3.16Å; F194-F201 WeakPolarHBondContact CZ-O 3.49Å; F194-F202 AromaticContact CD2-CD1 3.65Å; F194-F202 HydrophobicContact CD2-CD1 3.65Å; F194-F202 AromaticContact CD2-CE1 3.71Å; F194-F202 HydrophobicContact CD2-CE1 3.71Å; F194-F202 AromaticContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CE1 4.13Å; F194-F202 HydrophobicContact CE2-CG 4.34Å
195K93.9Very high95.1Very high170 Ų17075.1 Ų75.174%0.73938%0.375SS*.SBendtrans-86.4140.3-174.7-66.4-178-179.11750111.9D174 T197D174-K195 VanDerWaalsContact OD1-CA 3.25Å; D174-K195 WeakPolarHBondContact OD1-CA 3.02Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.77Å
196N92.5Very high95.6Very high118 Ų11873.8 Ų73.863%0.63137%0.369SS*.SBendtrans49.949.1168.8-170.843.1000113.1S172 S173 D174S172-N196 WeakPolarHBondContact CB-OD1 3.49Å; S172-N196 VanDerWaalsContact OG-CA 3.32Å; S172-N196 WeakPolarHBondContact OG-CA 3.49Å; S172-N196 PolarHBondContact OG-O 2.8Å; S172-N196 PolarHBondContact OG-OD1 2.88Å; S173-N196 CarbonylContact O-C 3.6Å; S173-N196 VanDerWaalsContact O-CA 3.29Å; S173-N196 WeakPolarHBondContact O-CA 3.32Å; S173-N196 PolarHBondContact O-N 3.28Å; S173-N196 VanDerWaalsContact O-N 3.13Å; D174-N196 PolarHBondContact OD1-N 3.48Å
197T95.3Very high96.3Very high36 Ų3672 Ų7222%0.22135%0.349CS..  trans-140.2143.9177.9-176.30000111.9S172 S173 P175 F194 K195 N199 P200S172-T197 PolarHBondContact OG-N 2.9Å; S173-T197 PolarHBondContact O-N 3.03Å; P175-T197 WeakPolarHBondContact CD-O 3.44Å; P175-T197 HydrophobicContact CG-CG2 3.92Å; P175-T197 WeakPolarHBondContact CG-O 2.84Å; F194-T197 HydrophobicContact CB-CG2 3.64Å; K195-T197 VanDerWaalsContact C-N 3.33Å; K195-T197 PolarHBondContact O-N 2.77Å; T197-N199 PolarHBondContact OG1-N 3.09Å; T197-N199 VanDerWaalsContact OG1-N 3.09Å; T197-P200 HydrophobicContact CG2-CB 3.94Å
198L95.5Very high96.6Very high46 Ų4667.5 Ų67.524%0.24133%0.33CS..SBendtrans-101.7-4.3170.3-57-179.3000112.4S163 L164 A166 P200S163-L198 PolarHBondContact N-O 2.63Å; L164-L198 HydrophobicContact CB-CB 4.27Å; L164-L198 HydrophobicContact CB-CD2 4.32Å; L164-L198 WeakPolarHBondContact CB-O 3.23Å; L164-L198 VanDerWaalsContact CG-O 3.31Å; L164-L198 WeakPolarHBondContact CG-O 3.47Å; L164-L198 PolarHBondContact N-O 2.85Å; L164-L198 WeakPolarHBondContact O-CD2 3.48Å; A166-L198 HydrophobicContact CB-CD1 4.31Å; A166-L198 HydrophobicContact CB-CD2 4.13Å; L198-P200 VanDerWaalsContact C-CD 3.42Å
199N96.8Very high96.5Very high89 Ų8969.8 Ų69.848%0.47634%0.339SS..SBendtrans-129.860.9-178.4-53.6-45.2000110.7A161 D162 S163 T197A161-N199 CarbonylContact O-C 3.57Å; A161-N199 VanDerWaalsContact O-CA 3.23Å; A161-N199 WeakPolarHBondContact O-CA 3.14Å; D162-N199 WeakPolarHBondContact CA-OD1 3.42Å; D162-N199 PolarHBondContact OD1-OD1 3.09Å; S163-N199 PolarHBondContact N-OD1 3.33Å; T197-N199 PolarHBondContact OG1-N 3.09Å; T197-N199 VanDerWaalsContact OG1-N 3.09Å
200P97.3Very high96.3Very high2 Ų268.3 Ų68.31%0.01333%0.333CS..  trans-69.4139.9-178.430.3-37.8000112.2Q160 A161 L164 P175 F194 T197 L198 F202Q160-P200 CarbonylContact C-O 3.58Å; Q160-P200 WeakPolarHBondContact CA-O 3.42Å; Q160-P200 VanDerWaalsContact CB-O 3.31Å; Q160-P200 WeakPolarHBondContact CB-O 3.47Å; A161-P200 HydrophobicContact CB-CG 3.86Å; A161-P200 PolarHBondContact N-O 3.47Å; L164-P200 HydrophobicContact CD1-CG 3.92Å; P175-P200 HydrophobicContact CB-CG 4.04Å; P175-P200 HydrophobicContact CG-CB 3.8Å; P175-P200 HydrophobicContact CG-CG 3.55Å; F194-P200 HydrophobicContact CB-CB 3.94Å; F194-P200 HydrophobicContact CD2-CB 4.26Å; F194-P200 HydrophobicContact CG-CB 4.01Å; T197-P200 HydrophobicContact CG2-CB 3.94Å; L198-P200 VanDerWaalsContact C-CD 3.42Å; P200-F202 HydrophobicContact CB-CD1 4.49Å; P200-F202 HydrophobicContact CB-CD2 4.38Å; P200-F202 HydrophobicContact CB-CE1 3.9Å; P200-F202 HydrophobicContact CB-CE2 3.81Å; P200-F202 HydrophobicContact CB-CZ 3.54Å; P200-F202 HydrophobicContact CG-CD2 4.3Å; P200-F202 HydrophobicContact CG-CE1 4.16Å; P200-F202 HydrophobicContact CG-CE2 3.38Å; P200-F202 HydrophobicContact CG-CZ 3.28Å
201F97.4Very high96Very high117 Ų11766.2 Ų66.251%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-105.893.8171.6-167.5-97.7000109.7Q160 F194 N203Q160-F201 HydrophobicContact CB-CD2 3.82Å; Q160-F201 HydrophobicContact CB-CE2 4.44Å; Q160-F201 HydrophobicContact CG-CD2 4.42Å; Q160-F201 VanDerWaalsContact OE1-CD2 3.22Å; F194-F201 WeakPolarHBondContact CE1-O 3.16Å; F194-F201 WeakPolarHBondContact CZ-O 3.49Å; F201-N203 HydrophobicContact CD1-CB 4.17Å; F201-N203 HydrophobicContact CE1-CB 3.69Å; F201-N203 HydrophobicContact CZ-CB 4.22Å
202F97.4Very high95.6Very high12 Ų1271.1 Ų71.15%0.05335%0.35CS..EExtended strand (participates in β ladder)trans-77-56.3-174.9-58.2-75.7000111.9I158 K159 A161 P175 V177 T191 F194 P200 E204I158-F202 HydrophobicContact CG2-CB 4.06Å; I158-F202 HydrophobicContact CG2-CD2 3.68Å; I158-F202 HydrophobicContact CG2-CE2 4.33Å; I158-F202 HydrophobicContact CG2-CG 3.98Å; I158-F202 WeakPolarHBondContact O-CB 3.48Å; K159-F202 PolarHBondContact O-N 3.31Å; A161-F202 HydrophobicContact CB-CE2 4.19Å; P175-F202 HydrophobicContact CB-CZ 4.36Å; V177-F202 HydrophobicContact CG2-CD2 4.32Å; V177-F202 HydrophobicContact CG2-CE1 4.27Å; V177-F202 HydrophobicContact CG2-CE2 3.72Å; V177-F202 HydrophobicContact CG2-CZ 3.69Å; T191-F202 HydrophobicContact CG2-CB 4.42Å; T191-F202 HydrophobicContact CG2-CD1 4.13Å; T191-F202 HydrophobicContact CG2-CG 4.34Å; T191-F202 WeakPolarHBondContact OG1-CD1 2.91Å; T191-F202 WeakPolarHBondContact OG1-CE1 3.42Å; F194-F202 AromaticContact CD2-CD1 3.65Å; F194-F202 HydrophobicContact CD2-CD1 3.65Å; F194-F202 AromaticContact CD2-CE1 3.71Å; F194-F202 HydrophobicContact CD2-CE1 3.71Å; F194-F202 AromaticContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CD1 3.56Å; F194-F202 HydrophobicContact CE2-CE1 4.13Å; F194-F202 HydrophobicContact CE2-CG 4.34Å; P200-F202 HydrophobicContact CB-CD1 4.49Å; P200-F202 HydrophobicContact CB-CD2 4.38Å; P200-F202 HydrophobicContact CB-CE1 3.9Å; P200-F202 HydrophobicContact CB-CE2 3.81Å; P200-F202 HydrophobicContact CB-CZ 3.54Å; P200-F202 HydrophobicContact CG-CD2 4.3Å; P200-F202 HydrophobicContact CG-CE1 4.16Å; P200-F202 HydrophobicContact CG-CE2 3.38Å; P200-F202 HydrophobicContact CG-CZ 3.28Å; F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 3.12Å
203N97Very high95.2Very high90 Ų9068 Ų6848%0.48135%0.347SS..EExtended strand (participates in β ladder)trans4749.2-173.3-163.836.1000113.9I158 K159 F201I158-N203 WeakPolarHBondContact O-CA 3.45Å; I158-N203 PolarHBondContact O-N 3.48Å; K159-N203 PolarHBondContact O-N 2.9Å; F201-N203 HydrophobicContact CD1-CB 4.17Å; F201-N203 HydrophobicContact CE1-CB 3.69Å; F201-N203 HydrophobicContact CZ-CB 4.22Å
204E98.1Very high94.9Very high37 Ų3766.8 Ų66.817%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-112148.6178.6-66.4-177.9-120.300110.4G157 I158 T191 K192 F202 F206G157-E204 CarbonylContact C-O 3.44Å; G157-E204 WeakPolarHBondContact CA-O 3.48Å; I158-E204 PolarHBondContact N-O 2.71Å; I158-E204 PolarHBondContact O-N 3Å; T191-E204 WeakPolarHBondContact CA-OE1 3.28Å; T191-E204 VanDerWaalsContact CB-OE1 3.31Å; T191-E204 WeakPolarHBondContact CB-OE1 3.31Å; T191-E204 HydrophobicContact CG2-CB 4.41Å; K192-E204 WeakPolarHBondContact CB-OE1 3.39Å; K192-E204 PolarHBondContact N-OE1 3.35Å; F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 3.12Å; E204-F206 HydrophobicContact CB-CE2 4.33Å; E204-F206 HydrophobicContact CB-CZ 4Å
205Q97.5Very high94.6Very high114 Ų11464.1 Ų64.153%0.53333%0.331SS..EExtended strand (participates in β ladder)trans-128.4141.9179.5-63-175.617.400110.7T155 V156T155-Q205 HydrophobicContact CG2-CB 4.28Å; V156-Q205 WeakPolarHBondContact O-CA 2.87Å
206F97.5Very high94.4Very high18 Ų1862 Ų628%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-131.4132.6-176.2-55.2-64.2000110.9T155 V156 I158 V179 F189 T191 E204 F208T155-F206 CarbonylContact C-O 3.57Å; T155-F206 WeakPolarHBondContact CA-O 3.41Å; V156-F206 PolarHBondContact N-O 2.97Å; V156-F206 PolarHBondContact O-N 2.86Å; I158-F206 HydrophobicContact CG1-CD2 4.22Å; I158-F206 HydrophobicContact CG1-CE2 3.89Å; V179-F206 HydrophobicContact CB-CD2 4.15Å; V179-F206 HydrophobicContact CG2-CD2 3.83Å; V179-F206 HydrophobicContact CG2-CE2 3.87Å; F189-F206 HydrophobicContact CB-CB 4.22Å; F189-F206 HydrophobicContact CB-CD1 3.43Å; F189-F206 VanDerWaalsContact CB-CD1 3.43Å; F189-F206 HydrophobicContact CB-CD2 4.11Å; F189-F206 HydrophobicContact CB-CE1 3.71Å; F189-F206 HydrophobicContact CB-CE2 4.34Å; F189-F206 HydrophobicContact CB-CG 3.64Å; F189-F206 HydrophobicContact CB-CZ 4.15Å; F189-F206 HydrophobicContact CD1-CB 4.49Å; F189-F206 AromaticContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CD1 3.62Å; F189-F206 HydrophobicContact CD1-CE1 4.24Å; F189-F206 HydrophobicContact CD1-CG 4.32Å; F189-F206 HydrophobicContact CD2-CB 3.67Å; F189-F206 HydrophobicContact CD2-CD1 4.18Å; F189-F206 HydrophobicContact CD2-CG 4.05Å; F189-F206 HydrophobicContact CE1-CD1 4.27Å; F189-F206 HydrophobicContact CE2-CB 3.91Å; F189-F206 HydrophobicContact CG-CB 3.91Å; F189-F206 AromaticContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CD1 3.51Å; F189-F206 HydrophobicContact CG-CE1 4.21Å; F189-F206 AromaticContact CG-CG 3.79Å; F189-F206 HydrophobicContact CG-CG 3.79Å; F189-F206 HydrophobicContact CZ-CB 4.38Å; T191-F206 HydrophobicContact CG2-CE2 3.88Å; T191-F206 HydrophobicContact CG2-CZ 3.9Å; E204-F206 HydrophobicContact CB-CE2 4.33Å; E204-F206 HydrophobicContact CB-CZ 4Å; F206-F208 HydrophobicContact CB-CE2 4.11Å
207T96.4Very high94.3Very high49 Ų4964.8 Ų64.830%0.30133%0.331SS..EExtended strand (participates in β ladder)trans-107.8130.3-179.1-48.50000111.6E153 L154 K187 F189E153-T207 HydrophobicContact CB-CG2 3.9Å; E153-T207 HydrophobicContact CG-CG2 3.97Å; L154-T207 WeakPolarHBondContact O-CA 3.49Å; K187-T207 PolarHBondContact NZ-O 3.46Å; F189-T207 WeakPolarHBondContact CE2-O 3.3Å; F189-T207 WeakPolarHBondContact CZ-O 3.36Å
208F95.9Very high94.2Very high10 Ų1063.5 Ų63.54%0.04432%0.323CS..EExtended strand (participates in β ladder)trans-115.5132.8176.3-62.3-93000110E153 L154 V156 V179 I181 K187 F189 F206 L210E153-F208 WeakPolarHBondContact CA-O 3.23Å; L154-F208 HydrophobicContact CB-CB 4.44Å; L154-F208 PolarHBondContact N-O 2.85Å; L154-F208 PolarHBondContact O-N 3.45Å; V156-F208 HydrophobicContact CB-CE2 4.21Å; V156-F208 HydrophobicContact CG2-CD2 3.87Å; V156-F208 HydrophobicContact CG2-CE2 3.72Å; V179-F208 HydrophobicContact CB-CZ 4.44Å; V179-F208 HydrophobicContact CG1-CE2 3.96Å; V179-F208 HydrophobicContact CG1-CZ 3.92Å; I181-F208 HydrophobicContact CD1-CD2 4.23Å; I181-F208 HydrophobicContact CD1-CE2 4.27Å; I181-F208 HydrophobicContact CD1-CG 4.34Å; I181-F208 HydrophobicContact CD1-CZ 4.4Å; I181-F208 HydrophobicContact CG1-CB 4.29Å; I181-F208 HydrophobicContact CG1-CD1 3.7Å; I181-F208 HydrophobicContact CG1-CD2 4.2Å; I181-F208 HydrophobicContact CG1-CE1 3.96Å; I181-F208 HydrophobicContact CG1-CE2 4.44Å; I181-F208 HydrophobicContact CG1-CG 3.81Å; I181-F208 HydrophobicContact CG1-CZ 4.3Å; K187-F208 HydrophobicContact CB-CD1 4.39Å; K187-F208 HydrophobicContact CB-CE1 4.32Å; K187-F208 HydrophobicContact CD-CD1 4.48Å; F189-F208 HydrophobicContact CD2-CD1 4.49Å; F189-F208 AromaticContact CD2-CE1 3.69Å; F189-F208 HydrophobicContact CD2-CE1 3.69Å; F189-F208 AromaticContact CD2-CE2 3.96Å; F189-F208 HydrophobicContact CD2-CE2 3.96Å; F189-F208 AromaticContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CD2-CZ 3.4Å; F189-F208 HydrophobicContact CE2-CD1 4.1Å; F189-F208 HydrophobicContact CE2-CD2 4.39Å; F189-F208 AromaticContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE1 3.74Å; F189-F208 HydrophobicContact CE2-CE2 4.05Å; F189-F208 HydrophobicContact CE2-CG 4.43Å; F189-F208 AromaticContact CE2-CZ 3.74Å; F189-F208 HydrophobicContact CE2-CZ 3.74Å; F206-F208 HydrophobicContact CB-CE2 4.11Å; F208-L210 PolarHBondContact O-N 3.4Å
209Q94.3Very high94.1Very high130 Ų13062.8 Ų62.861%0.60732%0.321SS*.EExtended strand (participates in β ladder)trans-76.6114.8169.2-67.7-63.7-23.800108.2E153E153-Q209 PolarHBondContact OE1-NE2 3.36Å
210L92.2Very high94.1Very high19 Ų1958.6 Ų58.610%0.09930%0.298CS..  trans-148.8114.9-173.4-167.863.2000110.7Y147 S152 L154 I181 F208 A214 L215 L243Y147-L210 WeakPolarHBondContact CE2-O 3.46Å; Y147-L210 PolarHBondContact OH-O 2.83Å; S152-L210 CarbonylContact C-O 3.48Å; S152-L210 CarbonylContact O-C 3.58Å; S152-L210 PolarHBondContact O-N 3.12Å; L154-L210 HydrophobicContact CB-CD2 4.44Å; L154-L210 HydrophobicContact CD2-CD2 4.16Å; I181-L210 HydrophobicContact CG2-CD2 4.33Å; F208-L210 PolarHBondContact O-N 3.4Å; L210-A214 HydrophobicContact CD1-CB 3.58Å; L210-A214 HydrophobicContact CG-CB 4.32Å; L210-L215 HydrophobicContact CD2-CB 4.32Å; L210-L215 HydrophobicContact CD2-CD1 3.61Å; L210-L215 HydrophobicContact CG-CB 4.44Å; L210-L215 HydrophobicContact CG-CD1 4.43Å; L210-L243 HydrophobicContact CD2-CD1 3.91Å
211S92.3Very high94Very high52 Ų5258.5 Ų58.536%0.36430%0.298SS..  trans-69.4156.8177.270.10000111.9Y147 S213 A214 L215Y147-S211 VanDerWaalsContact OH-C 3.32Å; S211-S213 VanDerWaalsContact C-N 3.25Å; S211-S213 PolarHBondContact O-N 2.99Å; S211-S213 PolarHBondContact OG-OG 3.29Å; S211-A214 PolarHBondContact O-N 3.02Å; S211-A214 VanDerWaalsContact O-N 3.07Å; S211-A214 WeakPolarHBondContact OG-CB 3.33Å; S211-A214 PolarHBondContact OG-N 3.35Å; S211-L215 PolarHBondContact O-N 3.06Å
212K88.8Confident94Very high110 Ų11052.9 Ų52.948%0.47827%0.273SS..Hα-helixtrans-58.4-35.8-179.9-173172-177.5165.50112.9Y147 Q248Y147-K212 PolarHBondContact OH-N 3.1Å; Y147-K212 VanDerWaalsContact OH-N 3.08Å; K212-Q248 VanDerWaalsContact CE-NE2 3.35Å
213S90.4Very high94Very high85 Ų8552.8 Ų52.859%0.59427%0.273SS*.Hα-helixtrans-71-34.9177.256.40000112.8S211S211-S213 VanDerWaalsContact C-N 3.25Å; S211-S213 PolarHBondContact O-N 2.99Å; S211-S213 PolarHBondContact OG-OG 3.29Å
214A89.8Confident94Very high33 Ų3348.5 Ų48.527%0.27325%0.25SC..Hα-helixtrans-72.9-38.9174.700000111.4L210 S211 Q216 K217 S218L210-A214 HydrophobicContact CD1-CB 3.58Å; L210-A214 HydrophobicContact CG-CB 4.32Å; S211-A214 PolarHBondContact O-N 3.02Å; S211-A214 VanDerWaalsContact O-N 3.07Å; S211-A214 WeakPolarHBondContact OG-CB 3.33Å; S211-A214 PolarHBondContact OG-N 3.35Å; A214-Q216 VanDerWaalsContact C-N 3.28Å; A214-Q216 PolarHBondContact O-N 2.8Å; A214-K217 PolarHBondContact O-N 3.01Å; A214-S218 WeakPolarHBondContact O-CB 3.13Å; A214-S218 PolarHBondContact O-N 3.47Å; A214-S218 PolarHBondContact O-OG 3.46Å
215L90.9Very high94Very high9 Ų948 Ų485%0.04725%0.247CC..Hα-helixtrans-51.3-45.9178.3-172.977.2000111.8Y147 L154 L210 S211 K217 S218 L243Y147-L215 HydrophobicContact CD1-CD2 3.75Å; Y147-L215 HydrophobicContact CD2-CD1 3.92Å; Y147-L215 HydrophobicContact CD2-CD2 4.07Å; Y147-L215 HydrophobicContact CE1-CD2 3.94Å; Y147-L215 HydrophobicContact CE2-CD1 4.19Å; Y147-L215 HydrophobicContact CE2-CD2 4.26Å; Y147-L215 HydrophobicContact CG-CD1 4.35Å; Y147-L215 HydrophobicContact CG-CD2 3.8Å; L154-L215 HydrophobicContact CD1-CD1 4.34Å; L210-L215 HydrophobicContact CD2-CB 4.32Å; L210-L215 HydrophobicContact CD2-CD1 3.61Å; L210-L215 HydrophobicContact CG-CB 4.44Å; L210-L215 HydrophobicContact CG-CD1 4.43Å; S211-L215 PolarHBondContact O-N 3.06Å; L215-K217 PolarHBondContact O-N 2.86Å; L215-K217 VanDerWaalsContact O-N 3.12Å; L215-S218 PolarHBondContact O-N 3.08Å; L215-S218 VanDerWaalsContact O-N 3.07Å; L215-L243 HydrophobicContact CD1-CB 3.74Å; L215-L243 HydrophobicContact CD1-CD1 4.03Å; L215-L243 HydrophobicContact CD1-CG 4.46Å; L215-L243 HydrophobicContact CG-CB 4.09Å; L215-L243 WeakPolarHBondContact O-CB 3.49Å
216Q89.3Confident93.9Very high127 Ų12742.6 Ų42.659%0.59322%0.222SC*.THydrogen-bonded Turntrans-61.9-22.3-178.5-70.4-174.7-2500114.8A214 C244A214-Q216 VanDerWaalsContact C-N 3.28Å; A214-Q216 PolarHBondContact O-N 2.8Å; Q216-C244 WeakPolarHBondContact O-CB 3.05Å
217K90.2Very high93.7Very high176 Ų17645.1 Ų45.177%0.76523%0.233SC*.THydrogen-bonded Turntrans-107.72.4-179-59.5178.3-176.1177.60112.3A214 L215A214-K217 PolarHBondContact O-N 3.01Å; L215-K217 PolarHBondContact O-N 2.86Å; L215-K217 VanDerWaalsContact O-N 3.12Å
218S92.8Very high93.5Very high8 Ų844 Ų446%0.05623%0.225CC..  trans-102.7153.7-169.5-66.80000112.3L182 A214 L215 L243L182-S218 CarbonylContact O-C 3.44Å; L182-S218 WeakPolarHBondContact O-CA 3.32Å; L182-S218 WeakPolarHBondContact O-CB 3.34Å; A214-S218 WeakPolarHBondContact O-CB 3.13Å; A214-S218 PolarHBondContact O-N 3.47Å; A214-S218 PolarHBondContact O-OG 3.46Å; L215-S218 PolarHBondContact O-N 3.08Å; L215-S218 VanDerWaalsContact O-N 3.07Å; S218-L243 WeakPolarHBondContact O-CB 3.08Å; S218-L243 PolarHBondContact O-N 3.41Å
219T94.6Very high93.1Very high32 Ų3253.2 Ų53.220%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-127.3124.1175.7-62.10000108.6I181 L182 V221 R240 V241I181-T219 CarbonylContact C-O 3.52Å; I181-T219 WeakPolarHBondContact CA-O 3.25Å; L182-T219 PolarHBondContact N-O 3.07Å; L182-T219 PolarHBondContact O-N 3.4Å; T219-V221 HydrophobicContact CG2-CG2 4.24Å; T219-R240 HydrophobicContact CG2-CB 3.92Å; T219-R240 HydrophobicContact CG2-CG 4.47Å; T219-V241 CarbonylContact C-O 3.56Å; T219-V241 WeakPolarHBondContact CA-O 3.46Å
220A95.3Very high92.8Very high0 Ų055.5 Ų55.50%027%0.268CS..EExtended strand (participates in β ladder)trans-75.4129.5167.200000109.3L145 I181 M222 R240 V241 L243L145-A220 HydrophobicContact CD2-CB 4.5Å; I181-A220 HydrophobicContact CD1-CB 3.81Å; A220-M222 HydrophobicContact CB-CE 4.4Å; A220-R240 WeakPolarHBondContact O-CA 3.43Å; A220-V241 PolarHBondContact N-O 2.79Å; A220-V241 PolarHBondContact O-N 3.16Å; A220-L243 HydrophobicContact CB-CD1 4.42Å; A220-L243 HydrophobicContact CB-CD2 3.72Å; A220-L243 HydrophobicContact CB-CG 4.38Å
221V96.1Very high92.6Very high0 Ų058.7 Ų58.70%029%0.288CS..EExtended strand (participates in β ladder)trans-116.2123.1178.5-173.10000109.2V179 Y180 L182 T219 K223 E238 L239 R240V179-V221 WeakPolarHBondContact CA-O 3.37Å; Y180-V221 HydrophobicContact CD2-CB 4Å; Y180-V221 HydrophobicContact CD2-CG2 4.36Å; Y180-V221 HydrophobicContact CE1-CB 4.22Å; Y180-V221 HydrophobicContact CE1-CG1 4.04Å; Y180-V221 HydrophobicContact CE2-CB 3.57Å; Y180-V221 HydrophobicContact CE2-CG1 3.83Å; Y180-V221 HydrophobicContact CE2-CG2 3.88Å; Y180-V221 VanDerWaalsContact CZ-CG1 3.45Å; Y180-V221 PolarHBondContact N-O 2.82Å; Y180-V221 VanDerWaalsContact N-O 3.1Å; Y180-V221 PolarHBondContact O-N 3.41Å; Y180-V221 VanDerWaalsContact OH-CG1 3.25Å; Y180-V221 WeakPolarHBondContact OH-CG1 3.03Å; L182-V221 HydrophobicContact CB-CG2 4.44Å; L182-V221 HydrophobicContact CD1-CG2 3.7Å; L182-V221 HydrophobicContact CG-CG2 3.87Å; T219-V221 HydrophobicContact CG2-CG2 4.24Å; V221-K223 HydrophobicContact CG1-CG 4.09Å; V221-E238 HydrophobicContact CG1-CG 4.14Å; V221-E238 VanDerWaalsContact CG1-OE1 3.22Å; V221-E238 WeakPolarHBondContact CG1-OE1 3.43Å; V221-L239 WeakPolarHBondContact CA-O 3.18Å; V221-R240 HydrophobicContact CG1-CG 4.28Å; V221-R240 HydrophobicContact CG2-CG 4.25Å
222M97.4Very high92.4Very high0 Ų065.3 Ų65.30%031%0.31CS..EExtended strand (participates in β ladder)trans-119.7106.6178.8-67.5159.5-85.700108.1L141 Y143 V156 I158 V177 K178 V179 A220 L239 V241L141-M222 HydrophobicContact CD2-CB 3.88Å; L141-M222 HydrophobicContact CD2-SD 4.2Å; Y143-M222 HydrophobicContact CD2-CE 3.98Å; Y143-M222 HydrophobicContact CD2-SD 4.09Å; Y143-M222 HydrophobicContact CE2-CE 4.35Å; Y143-M222 HydrophobicContact CG-CE 4.15Å; Y143-M222 HydrophobicContact CG-SD 3.92Å; V156-M222 HydrophobicContact CG1-SD 4.27Å; I158-M222 HydrophobicContact CD1-CG 3.81Å; I158-M222 HydrophobicContact CD1-SD 3.78Å; V177-M222 HydrophobicContact CG1-CB 4.18Å; K178-M222 WeakPolarHBondContact O-CA 3.3Å; V179-M222 HydrophobicContact CG1-CG 4.25Å; V179-M222 HydrophobicContact CG2-CG 4.34Å; A220-M222 HydrophobicContact CB-CE 4.4Å; M222-L239 HydrophobicContact CB-CB 4.29Å; M222-L239 HydrophobicContact CE-CD2 3.73Å; M222-L239 HydrophobicContact CE-CG 3.92Å; M222-L239 PolarHBondContact N-O 2.84Å; M222-L239 PolarHBondContact O-N 3.24Å; M222-L239 HydrophobicContact SD-CD2 4.23Å; M222-V241 HydrophobicContact CE-CB 4.39Å; M222-V241 HydrophobicContact CE-CG2 3.66Å
223K96.9Very high92.6Very high9 Ų962.7 Ų62.74%0.03930%0.3CS..EExtended strand (participates in β ladder)trans-106.4121.6-179.1-78.1-174.9177.3176.40110.7V177 K178 Y180 V221 F225 E238 E265V177-K223 CarbonylContact C-O 3.38Å; V177-K223 WeakPolarHBondContact CA-O 2.98Å; K178-K223 PolarHBondContact N-O 2.9Å; K178-K223 PolarHBondContact O-N 3.23Å; Y180-K223 HydrophobicContact CE1-CD 4.3Å; Y180-K223 VanDerWaalsContact OH-CD 3.31Å; Y180-K223 WeakPolarHBondContact OH-CD 3.49Å; Y180-K223 WeakPolarHBondContact OH-CE 3.29Å; Y180-K223 PolarHBondContact OH-NZ 3.22Å; Y180-K223 VanDerWaalsContact OH-NZ 3.08Å; V221-K223 HydrophobicContact CG1-CG 4.09Å; K223-F225 HydrophobicContact CB-CD2 4.1Å; K223-F225 HydrophobicContact CB-CE2 3.54Å; K223-F225 HydrophobicContact CB-CZ 4.41Å; K223-F225 HydrophobicContact CD-CE2 4.39Å; K223-F225 WeakPolarHBondContact O-CD2 3.36Å; K223-E238 WeakPolarHBondContact CE-OE1 3.39Å; K223-E238 HydrophobicContact CG-CB 4.07Å; K223-E238 HydrophobicContact CG-CG 3.82Å; K223-E238 IonicContact NZ-OE1 2.63Å; K223-E238 PolarHBondContact NZ-OE1 3.39Å; K223-E265 IonicContact NZ-OE1 3.71Å; K223-E265 PolarHBondContact NZ-OE1 2.85Å; K223-E265 IonicContact NZ-OE2 2.76Å; K223-E265 PolarHBondContact NZ-OE2 3.34Å
224V97.5Very high92.6Very high0 Ų063.1 Ų63.10%029%0.292CS..EExtended strand (participates in β ladder)trans-90.3121.2176.8-168.80000108.8L164 P175 V177 I236 G237 L258L164-V224 HydrophobicContact CD1-CG1 4.02Å; L164-V224 HydrophobicContact CD2-CG1 4.18Å; P175-V224 HydrophobicContact CB-CG1 4.39Å; V177-V224 HydrophobicContact CG2-CG2 4.13Å; V224-I236 HydrophobicContact CB-CB 4.34Å; V224-I236 HydrophobicContact CG1-CB 4.26Å; V224-I236 HydrophobicContact CG1-CD1 4.13Å; V224-I236 PolarHBondContact O-N 2.8Å; V224-G237 PolarHBondContact N-O 3.2Å; V224-G237 PolarHBondContact O-N 3.2Å; V224-L258 HydrophobicContact CB-CD1 4.19Å; V224-L258 HydrophobicContact CG2-CD1 3.73Å; V224-L258 HydrophobicContact CG2-CD2 3.79Å; V224-L258 HydrophobicContact CG2-CG 4.45Å
225F96.9Very high92.8Very high28 Ų2864.2 Ų64.212%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-111.8150.7179.7-75.8-97.9000110.9P175 Y176 K178 K223 H233 E234 I235P175-F225 CarbonylContact C-O 3.58Å; P175-F225 VanDerWaalsContact CA-O 3.25Å; P175-F225 WeakPolarHBondContact CA-O 3.27Å; Y176-F225 HydrophobicContact CD1-CB 3.76Å; Y176-F225 HydrophobicContact CE1-CB 3.25Å; Y176-F225 HydrophobicContact CE1-CG 4.16Å; Y176-F225 HydrophobicContact CE2-CB 4.34Å; Y176-F225 HydrophobicContact CG-CB 4.46Å; Y176-F225 PolarHBondContact N-O 3.16Å; Y176-F225 PolarHBondContact O-N 3.21Å; K178-F225 HydrophobicContact CB-CD2 4.37Å; K178-F225 HydrophobicContact CB-CE2 4.03Å; K178-F225 HydrophobicContact CD-CD2 4.17Å; K178-F225 HydrophobicContact CD-CE2 3.65Å; K178-F225 HydrophobicContact CD-CZ 4.15Å; K178-F225 HydrophobicContact CG-CD2 3.76Å; K178-F225 HydrophobicContact CG-CE2 3.62Å; K223-F225 HydrophobicContact CB-CD2 4.1Å; K223-F225 HydrophobicContact CB-CE2 3.54Å; K223-F225 HydrophobicContact CB-CZ 4.41Å; K223-F225 HydrophobicContact CD-CE2 4.39Å; K223-F225 WeakPolarHBondContact O-CD2 3.36Å; F225-H233 HydrophobicContact CD1-CB 4.09Å; F225-E234 CarbonylContact C-O 3.53Å; F225-E234 VanDerWaalsContact CA-O 3.3Å; F225-E234 WeakPolarHBondContact CA-O 3.3Å; F225-I235 HydrophobicContact CD1-CG1 3.75Å; F225-I235 HydrophobicContact CE1-CD1 4.02Å; F225-I235 HydrophobicContact CE1-CG1 3.31Å; F225-I235 HydrophobicContact CE2-CG1 4.48Å; F225-I235 HydrophobicContact CZ-CD1 4.11Å; F225-I235 HydrophobicContact CZ-CG1 3.72Å
226D95.9Very high93Very high0 Ų063.8 Ų63.80%029%0.291CS..EExtended strand (participates in β ladder)trans-95.9113.3165.317749.5000109.6M167 S173 D174 N228 H233 E234 I236M167-D226 HydrophobicContact CB-CB 3.94Å; M167-D226 WeakPolarHBondContact CB-OD2 3.29Å; M167-D226 HydrophobicContact CG-CB 3.98Å; S173-D226 VanDerWaalsContact CA-OD1 3.31Å; S173-D226 WeakPolarHBondContact CA-OD1 3.35Å; S173-D226 VanDerWaalsContact CB-OD1 3.28Å; S173-D226 WeakPolarHBondContact CB-OD1 3.39Å; D174-D226 PolarHBondContact N-OD1 3.41Å; D226-N228 PolarHBondContact O-ND2 3.47Å; D226-N228 PolarHBondContact OD2-ND2 3.39Å; D226-H233 WeakPolarHBondContact O-CA 3.29Å; D226-H233 WeakPolarHBondContact O-CB 3.19Å; D226-E234 PolarHBondContact N-O 2.98Å; D226-E234 PolarHBondContact O-N 2.93Å; D226-I236 HydrophobicContact CB-CD1 4.05Å; D226-I236 HydrophobicContact CB-CG1 4.02Å
227F94.6Very high93.3Very high71 Ų7157.7 Ų57.731%0.31126%0.262SS..  trans-67.5134.4179.3175.9-89.6000110.6D174 Y176 V193 R229 H233D174-F227 HydrophobicContact CB-CB 3.87Å; D174-F227 WeakPolarHBondContact O-CB 2.81Å; D174-F227 PolarHBondContact O-N 3.13Å; Y176-F227 HydrophobicContact CD1-CB 4.04Å; Y176-F227 HydrophobicContact CE1-CB 4.15Å; V193-F227 HydrophobicContact CG1-CB 3.59Å; V193-F227 HydrophobicContact CG1-CD1 4.32Å; V193-F227 HydrophobicContact CG1-CG 3.93Å; V193-F227 HydrophobicContact CG2-CB 4.17Å; V193-F227 HydrophobicContact CG2-CD2 4.02Å; V193-F227 HydrophobicContact CG2-CG 4.17Å; F227-R229 HydrophobicContact CE1-CB 4.38Å; F227-H233 AromaticContact CD2-CE1 3.29Å; F227-H233 WeakPolarHBondContact CD2-CE1 3.43Å; F227-H233 AromaticContact CD2-NE2 3.58Å; F227-H233 AromaticContact CE2-CE1 3.61Å; F227-H233 AromaticContact CE2-NE2 3.66Å
228N90.6Very high93.5Very high25 Ų2549.6 Ų49.613%0.13423%0.227CC..  trans-133.1120-177.5-87.1-91.3000110D226 F230 T231 H233D226-N228 PolarHBondContact O-ND2 3.47Å; D226-N228 PolarHBondContact OD2-ND2 3.39Å; N228-F230 VanDerWaalsContact C-N 3.34Å; N228-F230 PolarHBondContact O-N 3.38Å; N228-T231 WeakPolarHBondContact CB-O 3.04Å; N228-T231 WeakPolarHBondContact CB-OG1 3.49Å; N228-T231 PolarHBondContact OD1-OG1 3.02Å; N228-H233 PolarHBondContact N-CD2 3.39Å; N228-H233 VanDerWaalsContact N-CD2 3.33Å; N228-H233 PolarHBondContact O-CD2 2.83Å; N228-H233 PolarHBondContact O-NE2 2.92Å
229R89.4Confident93.7Very high204 Ų20449.4 Ų49.477%0.7723%0.226SC*.SBendtrans-64.8-32.8-174.6-173.8174.9-179.5178.72.2114.4F227F227-R229 HydrophobicContact CE1-CB 4.38Å
230F86.5Confident93.7Very high177 Ų17751.5 Ų51.578%0.77623%0.23SC*.SBendtrans-123.4-3.4-170.2-55.1-65000114N228N228-F230 VanDerWaalsContact C-N 3.34Å; N228-F230 PolarHBondContact O-N 3.38Å
231T88.8Confident93.6Very high86 Ų8652.4 Ų52.453%0.52824%0.235SC..SBendtrans-133.7165.9-175.541.90000110.4N228 H233N228-T231 WeakPolarHBondContact CB-O 3.04Å; N228-T231 WeakPolarHBondContact CB-OG1 3.49Å; N228-T231 PolarHBondContact OD1-OG1 3.02Å; T231-H233 PolarHBondContact O-N 2.64Å
232K87.9Confident93.5Very high191 Ų19158.7 Ų58.783%0.8326%0.264SS*.PPolyproline II helixtrans-60.5134.5173.4-174.2-178.7178.1-178.90109
233H92.3Very high93.2Very high55 Ų5558.7 Ų58.726%0.25526%0.264SS..PPolyproline II helixtrans-61.9137.9177-56.6-178.6000110.1Y176 F225 D226 F227 N228 T231Y176-H233 AromaticContact CE1-ND1 3.49Å; Y176-H233 WeakPolarHBondContact CE1-ND1 3.16Å; Y176-H233 AromaticContact CZ-ND1 3.53Å; Y176-H233 PolarHBondContact OH-ND1 3.39Å; F225-H233 HydrophobicContact CD1-CB 4.09Å; D226-H233 WeakPolarHBondContact O-CA 3.29Å; D226-H233 WeakPolarHBondContact O-CB 3.19Å; F227-H233 AromaticContact CD2-CE1 3.29Å; F227-H233 WeakPolarHBondContact CD2-CE1 3.43Å; F227-H233 AromaticContact CD2-NE2 3.58Å; F227-H233 AromaticContact CE2-CE1 3.61Å; F227-H233 AromaticContact CE2-NE2 3.66Å; N228-H233 PolarHBondContact N-CD2 3.39Å; N228-H233 VanDerWaalsContact N-CD2 3.33Å; N228-H233 PolarHBondContact O-CD2 2.83Å; N228-H233 PolarHBondContact O-NE2 2.92Å; T231-H233 PolarHBondContact O-N 2.64Å
234E91.6Very high92.8Very high95 Ų9560.8 Ų60.844%0.44428%0.28SS..EExtended strand (participates in β ladder)trans-95.2145.7-178.2-59.8-161.1159.600110.4M167 F225 D226M167-E234 HydrophobicContact CE-CB 4.01Å; M167-E234 WeakPolarHBondContact CE-OE2 3.47Å; F225-E234 CarbonylContact C-O 3.53Å; F225-E234 VanDerWaalsContact CA-O 3.3Å; F225-E234 WeakPolarHBondContact CA-O 3.3Å; D226-E234 PolarHBondContact N-O 2.98Å; D226-E234 PolarHBondContact O-N 2.93Å
235I93.9Very high91.9Very high55 Ų5566.9 Ų66.928%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-89.7116.7177.7-57.9165.5000108.5F225 P261F225-I235 HydrophobicContact CD1-CG1 3.75Å; F225-I235 HydrophobicContact CE1-CD1 4.02Å; F225-I235 HydrophobicContact CE1-CG1 3.31Å; F225-I235 HydrophobicContact CE2-CG1 4.48Å; F225-I235 HydrophobicContact CZ-CD1 4.11Å; F225-I235 HydrophobicContact CZ-CG1 3.72Å; I235-P261 HydrophobicContact CB-CB 4.28Å; I235-P261 HydrophobicContact CB-CG 4.13Å; I235-P261 HydrophobicContact CD1-CB 4.22Å; I235-P261 HydrophobicContact CG2-CB 3.69Å; I235-P261 HydrophobicContact CG2-CG 3.85Å
236I94.9Very high91.2Very high0 Ų066.2 Ų66.20%031%0.31CS..EExtended strand (participates in β ladder)trans-71.1-48.9175.4-62.8177.2000109.2R138 L164 K165 M167 P175 V224 D226R138-I236 VanDerWaalsContact CD-O 3.29Å; R138-I236 WeakPolarHBondContact CD-O 3.35Å; R138-I236 WeakPolarHBondContact CG-O 3.45Å; R138-I236 PolarHBondContact NH1-O 3.3Å; L164-I236 HydrophobicContact CB-CG2 4.36Å; L164-I236 HydrophobicContact CD1-CD1 4.37Å; L164-I236 HydrophobicContact CD2-CG2 4.25Å; K165-I236 HydrophobicContact CB-CG2 4.08Å; M167-I236 HydrophobicContact CG-CD1 4.46Å; M167-I236 HydrophobicContact CG-CG1 3.72Å; P175-I236 HydrophobicContact CB-CD1 4.39Å; V224-I236 HydrophobicContact CB-CB 4.34Å; V224-I236 HydrophobicContact CG1-CB 4.26Å; V224-I236 HydrophobicContact CG1-CD1 4.13Å; V224-I236 PolarHBondContact O-N 2.8Å; D226-I236 HydrophobicContact CB-CD1 4.05Å; D226-I236 HydrophobicContact CB-CG1 4.02Å
237G95.3Very high90.3Very high0 Ų072 Ų720%034%0.341CS..EExtended strand (participates in β ladder)trans-173.1171.3-177.700000112.4V224 A259V224-G237 PolarHBondContact N-O 3.2Å; V224-G237 PolarHBondContact O-N 3.2Å; G237-A259 WeakPolarHBondContact CA-O 3.44Å
238E95.4Very high89.1Confident5 Ų572.3 Ų72.32%0.02334%0.343CS..EExtended strand (participates in β ladder)trans-135.1140.8-177.8175.7176.2-151.600110.1V221 K223 R240 A259 P261 A262V221-E238 HydrophobicContact CG1-CG 4.14Å; V221-E238 VanDerWaalsContact CG1-OE1 3.22Å; V221-E238 WeakPolarHBondContact CG1-OE1 3.43Å; K223-E238 WeakPolarHBondContact CE-OE1 3.39Å; K223-E238 HydrophobicContact CG-CB 4.07Å; K223-E238 HydrophobicContact CG-CG 3.82Å; K223-E238 IonicContact NZ-OE1 2.63Å; K223-E238 PolarHBondContact NZ-OE1 3.39Å; E238-R240 VanDerWaalsContact CD-NE 3.31Å; E238-R240 HydrophobicContact CG-CG 4.08Å; E238-R240 IonicContact OE1-CZ 3.69Å; E238-R240 IonicContact OE1-NE 2.68Å; E238-R240 PolarHBondContact OE1-NE 3.38Å; E238-R240 IonicContact OE1-NH2 3.67Å; E238-R240 PolarHBondContact OE1-NH2 2.83Å; E238-R240 IonicContact OE2-NE 3.11Å; E238-A259 PolarHBondContact N-O 3.34Å; E238-A259 WeakPolarHBondContact O-CB 3.4Å; E238-A259 PolarHBondContact O-N 3.05Å; E238-P261 HydrophobicContact CB-CB 4.46Å; E238-P261 WeakPolarHBondContact OE2-CA 3.47Å; E238-A262 PolarHBondContact OE2-N 2.73Å
239L95.5Very high88.1Confident5 Ų578.2 Ų78.23%0.02638%0.375CS..EExtended strand (participates in β ladder)trans-118.5134.5168.3174.960.4000110.1L141 Y143 V221 M222 V241 Q256 L258L141-L239 HydrophobicContact CD2-CD2 4.35Å; Y143-L239 HydrophobicContact CD1-CD2 3.52Å; Y143-L239 HydrophobicContact CE1-CD2 3.71Å; Y143-L239 HydrophobicContact CG-CD2 4.2Å; V221-L239 WeakPolarHBondContact CA-O 3.18Å; M222-L239 HydrophobicContact CB-CB 4.29Å; M222-L239 HydrophobicContact CE-CD2 3.73Å; M222-L239 HydrophobicContact CE-CG 3.92Å; M222-L239 PolarHBondContact N-O 2.84Å; M222-L239 PolarHBondContact O-N 3.24Å; M222-L239 HydrophobicContact SD-CD2 4.23Å; L239-V241 HydrophobicContact CD1-CG2 4.17Å; L239-V241 HydrophobicContact CD2-CG2 4.23Å; L239-V241 HydrophobicContact CG-CG2 4Å; L239-Q256 HydrophobicContact CD1-CB 3.9Å; L239-Q256 HydrophobicContact CD1-CG 3.59Å; L239-Q256 HydrophobicContact CD2-CB 4Å; L239-L258 HydrophobicContact CB-CD2 4.1Å
240R94.7Very high87.5Confident76 Ų7675.2 Ų75.229%0.28737%0.369SS..EExtended strand (participates in β ladder)trans-127.6122.7177.7-67.5-175172.8-110.8-14.1109.2L182 T219 A220 V221 E238 E265L182-R240 VanDerWaalsContact CD1-NH1 3.27Å; T219-R240 HydrophobicContact CG2-CB 3.92Å; T219-R240 HydrophobicContact CG2-CG 4.47Å; A220-R240 WeakPolarHBondContact O-CA 3.43Å; V221-R240 HydrophobicContact CG1-CG 4.28Å; V221-R240 HydrophobicContact CG2-CG 4.25Å; E238-R240 VanDerWaalsContact CD-NE 3.31Å; E238-R240 HydrophobicContact CG-CG 4.08Å; E238-R240 IonicContact OE1-CZ 3.69Å; E238-R240 IonicContact OE1-NE 2.68Å; E238-R240 PolarHBondContact OE1-NE 3.38Å; E238-R240 IonicContact OE1-NH2 3.67Å; E238-R240 PolarHBondContact OE1-NH2 2.83Å; E238-R240 IonicContact OE2-NE 3.11Å; R240-E265 IonicContact NH2-OE2 2.71Å; R240-E265 PolarHBondContact NH2-OE2 2.91Å
241V93.8Very high87.5Confident18 Ų1870.2 Ų70.211%0.10935%0.353CS..EExtended strand (participates in β ladder)trans-122.9118.7-178.3-1750000108.7Y143 L145 T219 A220 M222 L239 L243Y143-V241 HydrophobicContact CE1-CG2 4.28Å; Y143-V241 HydrophobicContact CE2-CG1 4.42Å; Y143-V241 HydrophobicContact CE2-CG2 3.93Å; Y143-V241 WeakPolarHBondContact OH-CG2 3.41Å; L145-V241 HydrophobicContact CD1-CB 4.26Å; L145-V241 HydrophobicContact CD1-CG1 3.77Å; T219-V241 CarbonylContact C-O 3.56Å; T219-V241 WeakPolarHBondContact CA-O 3.46Å; A220-V241 PolarHBondContact N-O 2.79Å; A220-V241 PolarHBondContact O-N 3.16Å; M222-V241 HydrophobicContact CE-CB 4.39Å; M222-V241 HydrophobicContact CE-CG2 3.66Å; L239-V241 HydrophobicContact CD1-CG2 4.17Å; L239-V241 HydrophobicContact CD2-CG2 4.23Å; L239-V241 HydrophobicContact CG-CG2 4Å; V241-L243 PolarHBondContact O-N 3.46Å
242Q93.7Very high87.6Confident132 Ų13268.1 Ų68.162%0.61734%0.338SS*.EExtended strand (participates in β ladder)trans-70.8129.4174.6-65.7-174.434.500109.2C244Q242-C244 VanDerWaalsContact C-N 3.33Å
243L92.2Very high87.9Confident0 Ų064.3 Ų64.30%032%0.323CS..G310 helixtrans-88-3.8-172.3-55.2178.4000113.3L145 L154 I181 L210 L215 S218 A220 V241 N245 I246L145-L243 HydrophobicContact CD1-CD2 3.93Å; L154-L243 HydrophobicContact CD2-CD1 3.62Å; L154-L243 HydrophobicContact CD2-CD2 4.25Å; I181-L243 HydrophobicContact CD1-CD1 4.29Å; I181-L243 HydrophobicContact CG2-CD1 4.17Å; L210-L243 HydrophobicContact CD2-CD1 3.91Å; L215-L243 HydrophobicContact CD1-CB 3.74Å; L215-L243 HydrophobicContact CD1-CD1 4.03Å; L215-L243 HydrophobicContact CD1-CG 4.46Å; L215-L243 HydrophobicContact CG-CB 4.09Å; L215-L243 WeakPolarHBondContact O-CB 3.49Å; S218-L243 WeakPolarHBondContact O-CB 3.08Å; S218-L243 PolarHBondContact O-N 3.41Å; A220-L243 HydrophobicContact CB-CD1 4.42Å; A220-L243 HydrophobicContact CB-CD2 3.72Å; A220-L243 HydrophobicContact CB-CG 4.38Å; V241-L243 PolarHBondContact O-N 3.46Å; L243-N245 PolarHBondContact O-N 3.33Å; L243-I246 HydrophobicContact CB-CD1 4Å; L243-I246 HydrophobicContact CD2-CD1 3.4Å; L243-I246 VanDerWaalsContact CD2-CD1 3.4Å; L243-I246 HydrophobicContact CG-CD1 4.3Å; L243-I246 PolarHBondContact O-N 3.32Å
244C87.6Confident88Confident53 Ų5365.8 Ų65.836%0.35833%0.331SS..G310 helixtrans-62.8-25.2178.554.20000114Q216 Q242Q216-C244 WeakPolarHBondContact O-CB 3.05Å; Q242-C244 VanDerWaalsContact C-N 3.33Å
245N78.1Confident88.3Confident129 Ų12966.7 Ų66.769%0.6933%0.33SS*.G310 helixtrans-98.610.7-175.1-62.2-15.5000113.2L243 D247L243-N245 PolarHBondContact O-N 3.33Å; N245-D247 PolarHBondContact O-N 3.02Å
246I82.6Confident88.4Confident13 Ų1367.2 Ų67.27%0.06733%0.331CS..  trans-82.2116.1-178.8-58.7-179.3000109.7L145 L154 L243 I252L145-I246 HydrophobicContact CB-CD1 4.02Å; L145-I246 HydrophobicContact CD1-CD1 3.75Å; L145-I246 HydrophobicContact CG-CD1 4.44Å; L154-I246 HydrophobicContact CD1-CD1 4.18Å; L243-I246 HydrophobicContact CB-CD1 4Å; L243-I246 HydrophobicContact CD2-CD1 3.4Å; L243-I246 VanDerWaalsContact CD2-CD1 3.4Å; L243-I246 HydrophobicContact CG-CD1 4.3Å; L243-I246 PolarHBondContact O-N 3.32Å; I246-I252 HydrophobicContact CB-CD1 4.31Å; I246-I252 HydrophobicContact CG1-CD1 3.87Å; I246-I252 HydrophobicContact CG2-CD1 4.21Å
247D76.5Confident88.5Confident121 Ų12171.2 Ų71.265%0.64735%0.353SS*.  trans-71132.4172.5-71.7-34.5000110.7N245 N249 H250N245-D247 PolarHBondContact O-N 3.02Å; D247-N249 PolarHBondContact O-N 3.45Å; D247-H250 PolarHBondContact O-N 3.34Å
248Q69.4Low88.6Confident78 Ų7871.8 Ų71.836%0.36436%0.355SS..THydrogen-bonded Turntrans-67.6-11-174-52.5-167.1-65.300113.8K212K212-Q248 VanDerWaalsContact CE-NE2 3.35Å
249N69.7Low88.5Confident150 Ų15074.3 Ų74.380%0.80238%0.377SS*.THydrogen-bonded Turntrans-117.58.6-172.8-68.51.1000113.2D247D247-N249 PolarHBondContact O-N 3.45Å
250H77.9Confident88.3Confident141 Ų14181.4 Ų81.465%0.65341%0.408SS*.  trans-135.1136178.8-103.361000111.4D247 I252D247-H250 PolarHBondContact O-N 3.34Å; H250-I252 PolarHBondContact O-N 3.31Å
251V85.5Confident88Confident71 Ų7179.1 Ų79.143%0.4340%0.403SS..  trans-78.6116.9165.3-177.20000106.8E146E146-V251 HydrophobicContact CB-CG1 4.48Å; E146-V251 HydrophobicContact CB-CG2 4.13Å; E146-V251 HydrophobicContact CG-CG2 3.93Å
252I90.9Very high87.6Confident43 Ų4380.2 Ų80.222%0.22141%0.414CS..EExtended strand (participates in β ladder)trans-76.2126.7168.4-61.6170.8000106.1S144 L145 I246 H250 E254S144-I252 CarbonylContact C-O 3.4Å; S144-I252 WeakPolarHBondContact CA-O 3.41Å; S144-I252 WeakPolarHBondContact CB-O 3.39Å; L145-I252 HydrophobicContact CB-CB 4.38Å; L145-I252 PolarHBondContact N-O 2.8Å; L145-I252 PolarHBondContact O-N 2.79Å; I246-I252 HydrophobicContact CB-CD1 4.31Å; I246-I252 HydrophobicContact CG1-CD1 3.87Å; I246-I252 HydrophobicContact CG2-CD1 4.21Å; H250-I252 PolarHBondContact O-N 3.31Å; I252-E254 HydrophobicContact CG2-CG 4.08Å
253E94.8Very high86.9Confident110 Ų11082.9 Ų82.951%0.51442%0.423SS..EExtended strand (participates in β ladder)trans-138.6108.5169.5-175.2172.1112.600108.5L142 Y143 K159L142-E253 HydrophobicContact CD1-CG 3.98Å; L142-E253 HydrophobicContact CG-CG 4.5Å; Y143-E253 WeakPolarHBondContact O-CA 3.25Å; K159-E253 VanDerWaalsContact CE-OE2 3.26Å; K159-E253 WeakPolarHBondContact CE-OE2 3.37Å; K159-E253 IonicContact NZ-OE2 2.92Å
254E95Very high86.2Confident87 Ų8786.3 Ų86.341%0.40744%0.439SS..EExtended strand (participates in β ladder)trans-148155.2-172.965.9174.8-161.700113.2L142 Y143 I252L142-E254 VanDerWaalsContact CD1-C 3.46Å; L142-E254 WeakPolarHBondContact CD1-O 3.39Å; Y143-E254 HydrophobicContact CD1-CG 4.46Å; Y143-E254 WeakPolarHBondContact CD1-O 3.19Å; Y143-E254 HydrophobicContact CE1-CG 3.57Å; Y143-E254 PolarHBondContact N-O 2.94Å; Y143-E254 PolarHBondContact O-N 3.01Å; Y143-E254 PolarHBondContact OH-OE1 3.13Å; I252-E254 HydrophobicContact CG2-CG 4.08Å
255W97.4Very high85.6Confident113 Ų11385.5 Ų85.543%0.42843%0.43SS..EExtended strand (participates in β ladder)trans-86.1131.3172-78.6102.9000110.6K140 L142 Q160 D162K140-W255 HydrophobicContact CB-CE3 3.68Å; K140-W255 HydrophobicContact CB-CZ3 4.06Å; L142-W255 HydrophobicContact CB-CD2 3.76Å; L142-W255 HydrophobicContact CB-CE3 3.78Å; L142-W255 HydrophobicContact CB-CG 4.48Å; L142-W255 HydrophobicContact CB-CH2 3.92Å; L142-W255 HydrophobicContact CB-CZ2 3.89Å; L142-W255 HydrophobicContact CB-CZ3 3.85Å; L142-W255 HydrophobicContact CD1-CD2 4.21Å; L142-W255 HydrophobicContact CD1-CG 4.1Å; L142-W255 HydrophobicContact CD2-CZ2 4.19Å; L142-W255 HydrophobicContact CG-CD2 4.46Å; Q160-W255 HydrophobicContact CG-CH2 3.71Å; Q160-W255 HydrophobicContact CG-CZ2 3.95Å; Q160-W255 VanDerWaalsContact NE2-CZ2 3.27Å; D162-W255 HydrophobicContact CB-CH2 3.61Å; D162-W255 HydrophobicContact CB-CZ3 3.71Å
256Q96.3Very high85.3Confident66 Ų6686.6 Ų86.631%0.30843%0.431SS..EExtended strand (participates in β ladder)trans-136.2139.9175.2-158.4167.65.900112.5K140 L141 Y143 L239K140-Q256 CarbonylContact C-O 3.49Å; K140-Q256 VanDerWaalsContact CA-O 3.26Å; K140-Q256 WeakPolarHBondContact CA-O 3.41Å; L141-Q256 PolarHBondContact N-O 3.14Å; L141-Q256 PolarHBondContact O-N 2.81Å; Y143-Q256 HydrophobicContact CE1-CB 4.08Å; L239-Q256 HydrophobicContact CD1-CB 3.9Å; L239-Q256 HydrophobicContact CD1-CG 3.59Å; L239-Q256 HydrophobicContact CD2-CB 4Å
257D96.7Very high85.2Confident85 Ų8588.1 Ų88.146%0.45544%0.437SS..EExtended strand (participates in β ladder)trans-68.1135.8178.8-67.6-41.3000110.9K140 A259K140-D257 WeakPolarHBondContact CD-OD1 3.4Å; K140-D257 WeakPolarHBondContact CE-OD1 3.41Å; K140-D257 WeakPolarHBondContact CG-OD1 3.39Å; K140-D257 IonicContact NZ-OD1 2.77Å; K140-D257 PolarHBondContact NZ-OD1 2.62Å; K140-D257 IonicContact NZ-OD2 3.5Å; D257-A259 PolarHBondContact O-N 3.02Å
258L96.4Very high85.7Confident11 Ų1186.3 Ų86.36%0.05843%0.427CS..PPolyproline II helixtrans-73.9126.1176-67.1173.5000110.7R138 G139 L141 L164 V224 L239R138-L258 HydrophobicContact CB-CB 3.98Å; G139-L258 WeakPolarHBondContact O-CB 3.2Å; G139-L258 PolarHBondContact O-N 2.7Å; L141-L258 HydrophobicContact CB-CD2 4.08Å; L164-L258 HydrophobicContact CD2-CD1 3.48Å; L164-L258 VanDerWaalsContact CD2-CD1 3.48Å; V224-L258 HydrophobicContact CB-CD1 4.19Å; V224-L258 HydrophobicContact CG2-CD1 3.73Å; V224-L258 HydrophobicContact CG2-CD2 3.79Å; V224-L258 HydrophobicContact CG2-CG 4.45Å; L239-L258 HydrophobicContact CB-CD2 4.1Å
259A94.5Very high86.7Confident58 Ų5883 Ų8348%0.47941%0.412SS..BIsolated β-bridgetrans-82.8168.5174.800000111.7G237 E238 D257G237-A259 WeakPolarHBondContact CA-O 3.44Å; E238-A259 PolarHBondContact N-O 3.34Å; E238-A259 WeakPolarHBondContact O-CB 3.4Å; E238-A259 PolarHBondContact O-N 3.05Å; D257-A259 PolarHBondContact O-N 3.02Å
260K91.5Very high87.9Confident154 Ų15475.9 Ų75.967%0.6737%0.374SS*.PPolyproline II helixtrans-64.5135.1168.3-173.8178.5-178.5175.90108.7A262K260-A262 PolarHBondContact O-N 3.31Å
261P87.5Confident88.8Confident29 Ų2971.6 Ų71.619%0.18835%0.354CS..PPolyproline II helixtrans-61.3136.6-179.924.2-34.2000111.6I235 E238 K263I235-P261 HydrophobicContact CB-CB 4.28Å; I235-P261 HydrophobicContact CB-CG 4.13Å; I235-P261 HydrophobicContact CD1-CB 4.22Å; I235-P261 HydrophobicContact CG2-CB 3.69Å; I235-P261 HydrophobicContact CG2-CG 3.85Å; E238-P261 HydrophobicContact CB-CB 4.46Å; E238-P261 WeakPolarHBondContact OE2-CA 3.47Å; P261-K263 PolarHBondContact O-N 3.41Å
262A84.7Confident89.4Confident41 Ų4168.2 Ų68.234%0.33933%0.334SS..PPolyproline II helixtrans-56.3135.6171.700000109.7E238 K260 F264E238-A262 PolarHBondContact OE2-N 2.73Å; K260-A262 PolarHBondContact O-N 3.31Å; A262-F264 WeakPolarHBondContact CB-O 3.41Å; A262-F264 PolarHBondContact O-N 3.31Å
263K78.9Confident89.8Confident187 Ų18766.6 Ų66.681%0.81333%0.327SS*.SBendtrans-62.3-30.1179-73.3-176.9-179.6174.10111.8P261P261-K263 PolarHBondContact O-N 3.41Å
264F77.8Confident90Very high73 Ų7361.4 Ų61.432%0.3230%0.302SS..SBendtrans-143.5151.8-177.9-53.2-74.1000109.5A262 E407 Q408 A411A262-F264 WeakPolarHBondContact CB-O 3.41Å; A262-F264 PolarHBondContact O-N 3.31Å; F264-E407 HydrophobicContact CE1-CB 4.28Å; F264-Q408 HydrophobicContact CB-CG 3.4Å; F264-Q408 HydrophobicContact CD1-CB 4.3Å; F264-Q408 HydrophobicContact CD1-CG 3.35Å; F264-Q408 HydrophobicContact CD2-CG 3.5Å; F264-Q408 HydrophobicContact CE1-CB 4.39Å; F264-Q408 HydrophobicContact CE1-CG 3.87Å; F264-Q408 HydrophobicContact CE2-CG 4.01Å; F264-Q408 HydrophobicContact CG-CB 4.37Å; F264-Q408 HydrophobicContact CG-CG 3.12Å; F264-Q408 HydrophobicContact CZ-CG 4.18Å; F264-A411 HydrophobicContact CZ-CB 3.91Å
265E74.8Confident90.1Very high36 Ų3657.8 Ų57.817%0.16829%0.286CS..  trans-84.7139.4174.4-54.4-79.9-168.400109.8Y180 K185 K223 R240 E267Y180-E265 PolarHBondContact OH-OE1 3.16Å; Y180-E265 PolarHBondContact OH-OE2 3.24Å; K185-E265 IonicContact NZ-OE1 3.22Å; K223-E265 IonicContact NZ-OE1 3.71Å; K223-E265 PolarHBondContact NZ-OE1 2.85Å; K223-E265 IonicContact NZ-OE2 2.76Å; K223-E265 PolarHBondContact NZ-OE2 3.34Å; R240-E265 IonicContact NH2-OE2 2.71Å; R240-E265 PolarHBondContact NH2-OE2 2.91Å; E265-E267 VanDerWaalsContact C-N 3.28Å; E265-E267 HydrophobicContact CB-CG 3.92Å; E265-E267 PolarHBondContact O-N 3.45Å
266E72.6Confident90.2Very high152 Ų15252.4 Ų52.471%0.7127%0.266SS*.  trans-86.874.5168-68.4172.5-167.300108.4
267E81Confident90.3Very high45 Ų4550.1 Ų50.121%0.2126%0.257CS..  trans-83.4143.2171.3-67.4-179.9-155.700109.5L182 K185 E265 L269 K296L182-E267 HydrophobicContact CD2-CG 4.1Å; K185-E267 HydrophobicContact CB-CG 4.42Å; K185-E267 HydrophobicContact CD-CG 4.09Å; K185-E267 WeakPolarHBondContact CD-OE1 3.09Å; K185-E267 IonicContact NZ-OE1 3.94Å; K185-E267 PolarHBondContact NZ-OE1 3.39Å; E265-E267 VanDerWaalsContact C-N 3.28Å; E265-E267 HydrophobicContact CB-CG 3.92Å; E265-E267 PolarHBondContact O-N 3.45Å; E267-L269 HydrophobicContact CB-CD2 4.01Å; E267-L269 HydrophobicContact CB-CG 4.32Å; E267-L269 PolarHBondContact O-N 3.31Å; E267-K296 IonicContact OE2-NZ 3.48Å; E267-K296 PolarHBondContact OE2-NZ 2.79Å
268N86.1Confident90.3Very high82 Ų8246.2 Ų46.244%0.43924%0.236SC..  trans-78.6103.2168.5-176.911.8000109P183 G270P183-N268 HydrophobicContact CB-CB 3.59Å; P183-N268 HydrophobicContact CG-CB 4.32Å; N268-G270 PolarHBondContact OD1-N 3.19Å
269L91.9Very high90.3Very high9 Ų947.3 Ų47.35%0.04724%0.243CC..  trans-94.51.1178.6-57.5175.8000112.4E267 K296 L403E267-L269 HydrophobicContact CB-CD2 4.01Å; E267-L269 HydrophobicContact CB-CG 4.32Å; E267-L269 PolarHBondContact O-N 3.31Å; L269-K296 HydrophobicContact CD2-CD 3.79Å; L269-L403 HydrophobicContact CB-CB 3.8Å; L269-L403 VanDerWaalsContact O-CD1 3.3Å; L269-L403 WeakPolarHBondContact O-CD1 3.48Å
270G93.9Very high90.3Very high0 Ų047 Ų470%024%0.236CC..  trans93.1179-175.400000114.1N268 K293 D294 L403N268-G270 PolarHBondContact OD1-N 3.19Å; G270-K293 WeakPolarHBondContact CA-O 3.41Å; G270-D294 WeakPolarHBondContact CA-O 3.35Å; G270-D294 PolarHBondContact N-O 3.13Å; G270-L403 VanDerWaalsContact O-CB 3.3Å; G270-L403 WeakPolarHBondContact O-CB 3.43Å; G270-L403 WeakPolarHBondContact O-CG 3.3Å; G270-L403 PolarHBondContact O-N 3.35Å
271E96.8Very high90.4Very high51 Ų5147 Ų4724%0.23824%0.242CC..EExtended strand (participates in β ladder)trans-122.4149.2-179.5-51.8-163.910600110.8A292 K293 W400 H401 S402E271-A292 CarbonylContact O-C 3.59Å; E271-A292 WeakPolarHBondContact O-CA 3.44Å; E271-A292 VanDerWaalsContact O-CB 3.29Å; E271-A292 WeakPolarHBondContact O-CB 3.46Å; E271-K293 HydrophobicContact CB-CG 4.22Å; E271-K293 PolarHBondContact N-O 3.08Å; E271-K293 PolarHBondContact O-N 2.96Å; E271-K293 WeakPolarHBondContact OE2-CE 3.34Å; E271-K293 IonicContact OE2-NZ 2.95Å; E271-K293 PolarHBondContact OE2-NZ 2.87Å; E271-W400 HydrophobicContact CB-CE3 3.82Å; E271-W400 HydrophobicContact CB-CZ3 4.16Å; E271-H401 WeakPolarHBondContact CA-O 3.28Å; E271-S402 PolarHBondContact OE1-OG 3.23Å; E271-S402 VanDerWaalsContact OE1-OG 3.07Å
272I98.4Very high90.8Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-128135.9177.1-173.3166000110.7F274 I289 A292 V308 I355 V357 L372 H401 L403I272-F274 HydrophobicContact CG1-CD1 4.44Å; I272-F274 HydrophobicContact CG2-CD1 4.28Å; I272-F274 HydrophobicContact CG2-CE1 4.31Å; I272-I289 HydrophobicContact CD1-CG2 4.28Å; I272-A292 HydrophobicContact CB-CB 4.3Å; I272-A292 HydrophobicContact CG1-CB 4.3Å; I272-V308 HydrophobicContact CD1-CG1 4.01Å; I272-V308 HydrophobicContact CD1-CG2 3.84Å; I272-I355 HydrophobicContact CD1-CG2 3.9Å; I272-V357 HydrophobicContact CD1-CG2 3.84Å; I272-L372 HydrophobicContact CG2-CD2 3.57Å; I272-H401 PolarHBondContact N-O 2.9Å; I272-H401 PolarHBondContact O-N 3.34Å; I272-L403 HydrophobicContact CG2-CD2 3.95Å; I272-L403 HydrophobicContact CG2-CG 4.38Å
273C98.6Very high91.4Very high10 Ų1048.2 Ų48.27%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-105.7128.6174.2-167.50000109.9L290 E291 W400C273-L290 HydrophobicContact CB-CB 4.4Å; C273-L290 WeakPolarHBondContact O-CB 3.48Å; C273-L290 PolarHBondContact O-N 2.91Å; C273-E291 HydrophobicContact CB-CG 4.04Å; C273-E291 PolarHBondContact N-O 2.99Å; C273-E291 PolarHBondContact O-N 3.29Å; C273-W400 HydrophobicContact CB-CD2 3.66Å; C273-W400 HydrophobicContact CB-CE3 3.73Å; C273-W400 HydrophobicContact CB-CG 4.29Å; C273-W400 HydrophobicContact CB-CH2 3.9Å; C273-W400 HydrophobicContact CB-CZ2 3.83Å; C273-W400 HydrophobicContact CB-CZ3 3.84Å
274F98.7Very high92.3Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-148.7157.2174.458.8-85.8000110I272 L276 V288 I289 I355 L372 L374 H385 A398 Q399 H401I272-F274 HydrophobicContact CG1-CD1 4.44Å; I272-F274 HydrophobicContact CG2-CD1 4.28Å; I272-F274 HydrophobicContact CG2-CE1 4.31Å; F274-L276 HydrophobicContact CD2-CD2 3.88Å; F274-L276 HydrophobicContact CD2-CG 4.04Å; F274-L276 HydrophobicContact CE2-CD1 4.09Å; F274-L276 HydrophobicContact CE2-CD2 3.97Å; F274-L276 HydrophobicContact CE2-CG 3.92Å; F274-V288 CarbonylContact C-O 3.52Å; F274-V288 WeakPolarHBondContact CA-O 3.22Å; F274-V288 VanDerWaalsContact CB-O 3.22Å; F274-V288 WeakPolarHBondContact CB-O 3.15Å; F274-I289 HydrophobicContact CB-CD1 3.85Å; F274-I289 HydrophobicContact CG-CD1 4.48Å; F274-I355 HydrophobicContact CD1-CD1 3.63Å; F274-I355 HydrophobicContact CD2-CD1 3.65Å; F274-I355 HydrophobicContact CE1-CD1 3.6Å; F274-I355 HydrophobicContact CE2-CD1 3.62Å; F274-I355 HydrophobicContact CG-CD1 3.67Å; F274-I355 HydrophobicContact CZ-CD1 3.62Å; F274-L372 HydrophobicContact CE1-CD1 4.13Å; F274-L372 HydrophobicContact CE1-CD2 4.44Å; F274-L372 HydrophobicContact CZ-CD1 4.1Å; F274-L374 HydrophobicContact CE2-CD1 3.85Å; F274-L374 HydrophobicContact CE2-CD2 3.94Å; F274-L374 HydrophobicContact CZ-CD1 3.54Å; F274-L374 HydrophobicContact CZ-CD2 3.78Å; F274-L374 HydrophobicContact CZ-CG 4.29Å; F274-H385 AromaticContact CD2-CE1 3.86Å; F274-H385 AromaticContact CE2-CE1 3.48Å; F274-H385 VanDerWaalsContact CE2-CE1 3.48Å; F274-H385 WeakPolarHBondContact CE2-CE1 3.33Å; F274-H385 AromaticContact CE2-ND1 3.51Å; F274-H385 AromaticContact CZ-ND1 3.74Å; F274-H385 PolarHBondContact O-CE1 3.49Å; F274-A398 WeakPolarHBondContact O-CA 3.33Å; F274-Q399 PolarHBondContact N-O 2.99Å; F274-Q399 PolarHBondContact O-N 3.33Å; F274-Q399 VanDerWaalsContact O-N 3.16Å; F274-H401 HydrophobicContact CE1-CB 4.21Å; F274-H401 AromaticContact CE1-CD2 3.35Å; F274-H401 WeakPolarHBondContact CE1-CD2 3.47Å; F274-H401 AromaticContact CE1-CG 3.88Å; F274-H401 AromaticContact CZ-CD2 3.41Å; F274-H401 VanDerWaalsContact CZ-CD2 3.41Å; F274-H401 WeakPolarHBondContact CZ-CD2 3.39Å; F274-H401 AromaticContact CZ-NE2 3.78Å
275S98.4Very high93.3Very high11 Ų1139.4 Ų39.48%0.07721%0.21CC..EExtended strand (participates in β ladder)trans-109.4146.6174.682.30000112.6V287 V288 V397S275-V287 WeakPolarHBondContact O-CA 3.22Å; S275-V288 PolarHBondContact N-O 3.07Å; S275-V288 PolarHBondContact O-N 3.26Å; S275-V288 WeakPolarHBondContact OG-CB 3.5Å; S275-V288 WeakPolarHBondContact OG-CG2 3.45Å; S275-V397 CarbonylContact C-O 3.56Å; S275-V397 WeakPolarHBondContact CA-O 3.38Å; S275-V397 WeakPolarHBondContact CB-O 3.39Å
276L98.4Very high94.4Very high0 Ų039.3 Ų39.30%021%0.212CC..EExtended strand (participates in β ladder)trans-121.5135.3175.7-59.8-176.5000110.5F274 V287 L353 L374 W386 M389 P396 V397F274-L276 HydrophobicContact CD2-CD2 3.88Å; F274-L276 HydrophobicContact CD2-CG 4.04Å; F274-L276 HydrophobicContact CE2-CD1 4.09Å; F274-L276 HydrophobicContact CE2-CD2 3.97Å; F274-L276 HydrophobicContact CE2-CG 3.92Å; L276-V287 HydrophobicContact CD2-CB 4.25Å; L276-V287 HydrophobicContact CD2-CG1 3.96Å; L276-V287 HydrophobicContact CD2-CG2 3.81Å; L276-L353 HydrophobicContact CD1-CD2 4.4Å; L276-L353 HydrophobicContact CD2-CD2 3.49Å; L276-L353 VanDerWaalsContact CD2-CD2 3.49Å; L276-L374 HydrophobicContact CD1-CD2 4.06Å; L276-W386 HydrophobicContact CD1-CE3 4.02Å; L276-W386 HydrophobicContact CD1-CZ3 4.39Å; L276-M389 HydrophobicContact CB-CB 4.01Å; L276-M389 HydrophobicContact CB-CG 3.77Å; L276-M389 HydrophobicContact CB-SD 3.61Å; L276-M389 HydrophobicContact CD1-SD 4.13Å; L276-M389 HydrophobicContact CG-SD 4.42Å; L276-P396 WeakPolarHBondContact O-CA 3.29Å; L276-V397 PolarHBondContact N-O 3.47Å; L276-V397 PolarHBondContact O-N 2.91Å
277C98.1Very high95.6Very high18 Ų1832 Ų3212%0.12218%0.178CC..EExtended strand (participates in β ladder)trans-139.2125.9172.3-177.10000109.1T286 R394 P396C277-T286 PolarHBondContact N-O 3.48Å; C277-T286 PolarHBondContact O-N 3.47Å; C277-R394 VanDerWaalsContact SG-C 3.51Å; C277-P396 HydrophobicContact CB-CB 4.31Å
278Y97.8Very high96.5Very high4 Ų431 Ų312%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-113.4132.9173.3-172.5-117.2000110.8P280 K284 L285 V343 S344 L345 I348 L390 R394Y278-P280 HydrophobicContact CD1-CG 3.89Å; Y278-P280 HydrophobicContact CE1-CB 4.08Å; Y278-P280 HydrophobicContact CE1-CG 3.8Å; Y278-K284 WeakPolarHBondContact CA-O 3.01Å; Y278-K284 WeakPolarHBondContact CD2-O 3.33Å; Y278-L285 HydrophobicContact CD2-CB 3.99Å; Y278-L285 HydrophobicContact CD2-CD1 4.45Å; Y278-L285 HydrophobicContact CE2-CB 4.49Å; Y278-V343 HydrophobicContact CE2-CB 4.39Å; Y278-V343 VanDerWaalsContact CE2-O 3.27Å; Y278-V343 WeakPolarHBondContact CE2-O 3.03Å; Y278-V343 PolarHBondContact OH-O 2.83Å; Y278-S344 VanDerWaalsContact OH-C 3.23Å; Y278-S344 PolarHBondContact OH-O 2.83Å; Y278-L345 HydrophobicContact CE1-CD1 4.28Å; Y278-L345 PolarHBondContact OH-N 2.87Å; Y278-I348 HydrophobicContact CD1-CG1 4.35Å; Y278-I348 HydrophobicContact CD2-CD1 3.94Å; Y278-I348 HydrophobicContact CD2-CG1 4.37Å; Y278-I348 HydrophobicContact CE1-CB 4.38Å; Y278-I348 HydrophobicContact CE1-CG1 4.2Å; Y278-I348 HydrophobicContact CE1-CG2 4.33Å; Y278-I348 HydrophobicContact CE2-CD1 3.95Å; Y278-I348 HydrophobicContact CE2-CG1 4.25Å; Y278-I348 HydrophobicContact CG-CD1 4.37Å; Y278-I348 HydrophobicContact CG-CG1 4.44Å; Y278-L390 HydrophobicContact CD1-CD2 4.1Å; Y278-R394 PolarHBondContact O-N 2.89Å; Y278-R394 VanDerWaalsContact O-N 3.14Å
279V96.8Very high97.1Very high34 Ų3427.1 Ų27.121%0.20615%0.154CC..EExtended strand (participates in β ladder)trans-119.1100.3175.6-173.90000108.3I281 S282 S283 K284 R394V279-I281 PolarHBondContact O-N 3.43Å; V279-S282 WeakPolarHBondContact CB-OG 3.13Å; V279-S282 VanDerWaalsContact CG1-OG 3.29Å; V279-S282 WeakPolarHBondContact CG1-OG 3.21Å; V279-S282 PolarHBondContact O-N 3.14Å; V279-S282 PolarHBondContact O-OG 2.91Å; V279-S283 PolarHBondContact O-N 2.75Å; V279-K284 PolarHBondContact N-O 3.26Å; V279-K284 PolarHBondContact O-N 2.8Å; V279-K284 VanDerWaalsContact O-N 3.12Å; V279-R394 HydrophobicContact CB-CG 4.49Å; V279-R394 HydrophobicContact CG1-CG 4.03Å; V279-R394 HydrophobicContact CG2-CG 3.92Å
280P94.3Very high97.4Very high50 Ų5028.6 Ų28.633%0.32516%0.162SC..THydrogen-bonded Turntrans-59.3-43.6-174.9-2734.1000113.7Y278 S282 S283 L345Y278-P280 HydrophobicContact CD1-CG 3.89Å; Y278-P280 HydrophobicContact CE1-CB 4.08Å; Y278-P280 HydrophobicContact CE1-CG 3.8Å; P280-S282 VanDerWaalsContact C-N 3.29Å; P280-S282 PolarHBondContact O-N 3.35Å; P280-S283 PolarHBondContact O-N 3.13Å; P280-L345 HydrophobicContact CB-CD1 4.43Å
281I94.1Very high97.6Very high155 Ų15532.1 Ų32.180%0.79518%0.178SC*.THydrogen-bonded Turntrans-58.7-41.1-175.3-61.2170000111.5V279V279-I281 PolarHBondContact O-N 3.43Å
282S95.6Very high97.6Very high60 Ų6029.8 Ų29.842%0.4217%0.168SC..THydrogen-bonded Turntrans-950.8177.957.80000113.3V279 P280 K284V279-S282 WeakPolarHBondContact CB-OG 3.13Å; V279-S282 VanDerWaalsContact CG1-OG 3.29Å; V279-S282 WeakPolarHBondContact CG1-OG 3.21Å; V279-S282 PolarHBondContact O-N 3.14Å; V279-S282 PolarHBondContact O-OG 2.91Å; P280-S282 VanDerWaalsContact C-N 3.29Å; P280-S282 PolarHBondContact O-N 3.35Å; S282-K284 WeakPolarHBondContact O-CG 3.07Å; S282-K284 PolarHBondContact O-N 3.39Å; S282-K284 WeakPolarHBondContact OG-CG 3.1Å
283S96.7Very high97.5Very high36 Ų3633 Ų3325%0.25218%0.181SC..THydrogen-bonded Turntrans50.642.7-174.5-65.40000112.7V279 P280 D342 V343V279-S283 PolarHBondContact O-N 2.75Å; P280-S283 PolarHBondContact O-N 3.13Å; S283-D342 CarbonylContact O-C 3.54Å; S283-D342 VanDerWaalsContact O-CA 3.28Å; S283-D342 WeakPolarHBondContact O-CA 3.18Å; S283-V343 CarbonylContact C-O 3.59Å; S283-V343 WeakPolarHBondContact CA-O 3.45Å; S283-V343 WeakPolarHBondContact CB-O 3.45Å; S283-V343 PolarHBondContact O-N 3.17Å
284K97.4Very high97.2Very high75 Ų7536.8 Ų36.833%0.32620%0.201SC..EExtended strand (participates in β ladder)trans-110.4123.6-176.9-62.4-62.3-177.9170.90110.7Y278 V279 S282 T340 D342Y278-K284 WeakPolarHBondContact CA-O 3.01Å; Y278-K284 WeakPolarHBondContact CD2-O 3.33Å; V279-K284 PolarHBondContact N-O 3.26Å; V279-K284 PolarHBondContact O-N 2.8Å; V279-K284 VanDerWaalsContact O-N 3.12Å; S282-K284 WeakPolarHBondContact O-CG 3.07Å; S282-K284 PolarHBondContact O-N 3.39Å; S282-K284 WeakPolarHBondContact OG-CG 3.1Å; K284-T340 HydrophobicContact CB-CG2 4.16Å; K284-T340 HydrophobicContact CD-CG2 3.83Å; K284-T340 HydrophobicContact CG-CG2 4.34Å; K284-D342 WeakPolarHBondContact CE-OD1 3.49Å; K284-D342 IonicContact NZ-OD1 3.23Å; K284-D342 PolarHBondContact NZ-OD1 2.94Å
285L97.9Very high97Very high0 Ų037 Ų370%020%0.202CC..EExtended strand (participates in β ladder)trans-103.5116165.4174.961.8000108.7Y278 V287 L312 T340 F341 V343 I348 W386 M389Y278-L285 HydrophobicContact CD2-CB 3.99Å; Y278-L285 HydrophobicContact CD2-CD1 4.45Å; Y278-L285 HydrophobicContact CE2-CB 4.49Å; L285-V287 HydrophobicContact CG-CG2 4.3Å; L285-L312 HydrophobicContact CD2-CD2 4.07Å; L285-T340 WeakPolarHBondContact O-CA 3.18Å; L285-F341 PolarHBondContact N-O 2.74Å; L285-F341 PolarHBondContact O-N 3.18Å; L285-V343 HydrophobicContact CB-CB 4.41Å; L285-V343 HydrophobicContact CB-CG2 4.06Å; L285-V343 HydrophobicContact CD2-CG2 4.36Å; L285-I348 HydrophobicContact CD2-CD1 4.25Å; L285-W386 HydrophobicContact CD2-CH2 4.01Å; L285-W386 HydrophobicContact CD2-CZ3 4.39Å; L285-M389 HydrophobicContact CD1-CE 4.24Å; L285-M389 HydrophobicContact CD1-SD 3.36Å; L285-M389 WeakPolarHBondContact CD1-SD 3.31Å
286T98.3Very high96.6Very high33 Ų3339.8 Ų39.820%0.20221%0.213CC..EExtended strand (participates in β ladder)trans-104.2129175-60.10000109.6C277 V288 S338 F339 T340C277-T286 PolarHBondContact N-O 3.48Å; C277-T286 PolarHBondContact O-N 3.47Å; T286-V288 HydrophobicContact CG2-CG2 4.15Å; T286-S338 WeakPolarHBondContact CG2-OG 3.42Å; T286-F339 CarbonylContact C-O 3.57Å; T286-F339 WeakPolarHBondContact CA-O 3.45Å; T286-T340 PolarHBondContact OG1-OG1 3.44Å
287V98.6Very high96.1Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-119.5117.7176.8-175.30000107.6S275 L276 L285 I289 V310 F339 F341 L353S275-V287 WeakPolarHBondContact O-CA 3.22Å; L276-V287 HydrophobicContact CD2-CB 4.25Å; L276-V287 HydrophobicContact CD2-CG1 3.96Å; L276-V287 HydrophobicContact CD2-CG2 3.81Å; L285-V287 HydrophobicContact CG-CG2 4.3Å; V287-I289 HydrophobicContact CG1-CD1 4.01Å; V287-V310 HydrophobicContact CB-CG1 4.31Å; V287-V310 HydrophobicContact CG1-CG1 4.05Å; V287-V310 HydrophobicContact CG2-CG1 4.45Å; V287-F339 PolarHBondContact N-O 2.97Å; V287-F339 PolarHBondContact O-N 2.8Å; V287-F341 HydrophobicContact CG2-CD2 4.36Å; V287-F341 HydrophobicContact CG2-CE2 4.15Å; V287-L353 HydrophobicContact CG1-CD2 4.29Å; V287-L353 HydrophobicContact CG2-CD1 4.19Å; V287-L353 HydrophobicContact CG2-CD2 3.85Å
288V98.7Very high95.4Very high23 Ų2343.8 Ų43.814%0.13924%0.236CC..EExtended strand (participates in β ladder)trans-108.3114.6175.1-171.20000108.7F274 S275 T286 L290 E337F274-V288 CarbonylContact C-O 3.52Å; F274-V288 WeakPolarHBondContact CA-O 3.22Å; F274-V288 VanDerWaalsContact CB-O 3.22Å; F274-V288 WeakPolarHBondContact CB-O 3.15Å; S275-V288 PolarHBondContact N-O 3.07Å; S275-V288 PolarHBondContact O-N 3.26Å; S275-V288 WeakPolarHBondContact OG-CB 3.5Å; S275-V288 WeakPolarHBondContact OG-CG2 3.45Å; T286-V288 HydrophobicContact CG2-CG2 4.15Å; V288-L290 HydrophobicContact CG1-CD2 3.91Å; V288-L290 PolarHBondContact O-N 2.97Å; V288-E337 CarbonylContact C-O 3.53Å; V288-E337 WeakPolarHBondContact CA-O 3.41Å
289I98.7Very high94.7Very high0 Ų045.8 Ų45.80%025%0.246CC..EExtended strand (participates in β ladder)trans-81.2114173.2-55.7-55.4000107.4I272 F274 V287 V308 V310 T324 F335 N336 E337 F339 I355I272-I289 HydrophobicContact CD1-CG2 4.28Å; F274-I289 HydrophobicContact CB-CD1 3.85Å; F274-I289 HydrophobicContact CG-CD1 4.48Å; V287-I289 HydrophobicContact CG1-CD1 4.01Å; I289-V308 HydrophobicContact CD1-CG1 4.22Å; I289-V308 HydrophobicContact CG1-CG1 4.33Å; I289-V308 HydrophobicContact CG2-CB 4.27Å; I289-V308 HydrophobicContact CG2-CG1 4.42Å; I289-V308 HydrophobicContact CG2-CG2 3.98Å; I289-V310 HydrophobicContact CD1-CG2 3.77Å; I289-V310 HydrophobicContact CG1-CG2 3.74Å; I289-T324 HydrophobicContact CB-CG2 4.14Å; I289-T324 HydrophobicContact CG1-CG2 4.15Å; I289-T324 HydrophobicContact CG2-CG2 4.22Å; I289-F335 HydrophobicContact CB-CB 4.48Å; I289-F335 HydrophobicContact CG2-CB 4.04Å; I289-F335 HydrophobicContact CG2-CD2 3.77Å; I289-F335 HydrophobicContact CG2-CE2 4.49Å; I289-F335 HydrophobicContact CG2-CG 4.03Å; I289-N336 CarbonylContact O-C 3.57Å; I289-N336 WeakPolarHBondContact O-CA 3.34Å; I289-N336 PolarHBondContact O-N 3.27Å; I289-E337 PolarHBondContact N-O 3.2Å; I289-E337 PolarHBondContact O-N 3.11Å; I289-F339 HydrophobicContact CG1-CD2 4.24Å; I289-F339 HydrophobicContact CG1-CE2 3.88Å; I289-I355 HydrophobicContact CD1-CD1 4.23Å
290L98.6Very high93.5Very high40 Ų4053.4 Ų53.421%0.20929%0.285CS..EExtended strand (participates in β ladder)trans-88.8-69.7-174.2-63.5171000109.9C273 V288 F335 N336 A398C273-L290 HydrophobicContact CB-CB 4.4Å; C273-L290 WeakPolarHBondContact O-CB 3.48Å; C273-L290 PolarHBondContact O-N 2.91Å; V288-L290 HydrophobicContact CG1-CD2 3.91Å; V288-L290 PolarHBondContact O-N 2.97Å; L290-F335 WeakPolarHBondContact O-CA 3.41Å; L290-F335 PolarHBondContact O-N 3.05Å; L290-N336 PolarHBondContact O-N 2.92Å; L290-A398 HydrophobicContact CD1-CB 3.99Å
291E98.2Very high92.4Very high74 Ų7454.5 Ų54.535%0.34631%0.305SS..EExtended strand (participates in β ladder)trans-157.1166.8-175.361.2-175.9178.800111.3C273 P333 Y334 W400C273-E291 HydrophobicContact CB-CG 4.04Å; C273-E291 PolarHBondContact N-O 2.99Å; C273-E291 PolarHBondContact O-N 3.29Å; E291-P333 CarbonylContact C-O 3.13Å; E291-P333 WeakPolarHBondContact CA-O 3.28Å; E291-P333 WeakPolarHBondContact CB-O 3.36Å; E291-Y334 HydrophobicContact CB-CD2 4.07Å; E291-W400 HydrophobicContact CG-CH2 3.73Å; E291-W400 HydrophobicContact CG-CZ2 4.05Å; E291-W400 VanDerWaalsContact OE1-CZ2 3.27Å; E291-W400 WeakPolarHBondContact OE1-CZ2 3.49Å
292A98.3Very high91.7Very high2 Ų249.4 Ų49.42%0.01729%0.291CS..EExtended strand (participates in β ladder)trans-131.3158.1167.300000109.6E271 I272 L295 N332 P333E271-A292 CarbonylContact O-C 3.59Å; E271-A292 WeakPolarHBondContact O-CA 3.44Å; E271-A292 VanDerWaalsContact O-CB 3.29Å; E271-A292 WeakPolarHBondContact O-CB 3.46Å; I272-A292 HydrophobicContact CB-CB 4.3Å; I272-A292 HydrophobicContact CG1-CB 4.3Å; A292-L295 HydrophobicContact CB-CD1 4.03Å; A292-L295 HydrophobicContact CB-CD2 3.94Å; A292-L295 HydrophobicContact CB-CG 4.08Å; A292-N332 CarbonylContact O-C 3.58Å; A292-N332 VanDerWaalsContact O-C 3.26Å; A292-N332 WeakPolarHBondContact O-CA 3.42Å; A292-P333 HydrophobicContact CB-CG 3.92Å; A292-P333 PolarHBondContact N-O 3.14Å; A292-P333 WeakPolarHBondContact O-CD 3.12Å
293K95.6Very high91.1Very high67 Ų6747.6 Ų47.629%0.29128%0.278SS..EExtended strand (participates in β ladder)trans-141.5157.817870.2-179.3173.1154.20111.6G270 E271 L295 L331 N332 W400G270-K293 WeakPolarHBondContact CA-O 3.41Å; E271-K293 HydrophobicContact CB-CG 4.22Å; E271-K293 PolarHBondContact N-O 3.08Å; E271-K293 PolarHBondContact O-N 2.96Å; E271-K293 WeakPolarHBondContact OE2-CE 3.34Å; E271-K293 IonicContact OE2-NZ 2.95Å; E271-K293 PolarHBondContact OE2-NZ 2.87Å; K293-L295 PolarHBondContact O-N 2.99Å; K293-L295 VanDerWaalsContact O-N 3.12Å; K293-L331 CarbonylContact C-O 3.53Å; K293-N332 WeakPolarHBondContact CA-OD1 3.27Å; K293-N332 VanDerWaalsContact CB-OD1 3.23Å; K293-N332 WeakPolarHBondContact CB-OD1 3.29Å; K293-W400 HydrophobicContact CB-CH2 4.21Å; K293-W400 HydrophobicContact CB-CZ3 4.29Å; K293-W400 HydrophobicContact CD-CE3 4.42Å; K293-W400 HydrophobicContact CD-CH2 3.67Å; K293-W400 HydrophobicContact CD-CZ2 4.25Å; K293-W400 HydrophobicContact CD-CZ3 3.78Å; K293-W400 HydrophobicContact CG-CE3 4.43Å; K293-W400 HydrophobicContact CG-CH2 3.8Å; K293-W400 HydrophobicContact CG-CZ3 3.59Å
294D92.9Very high90.8Very high90 Ų9045.9 Ų45.948%0.48127%0.266SS..SBendtrans51.335.5177.5-57.1-42000112.8G270 L331 N332G270-D294 WeakPolarHBondContact CA-O 3.35Å; G270-D294 PolarHBondContact N-O 3.13Å; D294-L331 PolarHBondContact N-O 3.03Å; D294-N332 PolarHBondContact N-OD1 2.77Å
295L94.3Very high90.7Very high4 Ų443.8 Ų43.82%0.02126%0.259CS..PPolyproline II helixtrans-62.4145.4177.7-65.5-178.7000110.6A292 K293 S297 P306 L331 P333 V357 M369 L403A292-L295 HydrophobicContact CB-CD1 4.03Å; A292-L295 HydrophobicContact CB-CD2 3.94Å; A292-L295 HydrophobicContact CB-CG 4.08Å; K293-L295 PolarHBondContact O-N 2.99Å; K293-L295 VanDerWaalsContact O-N 3.12Å; L295-S297 PolarHBondContact O-N 3.11Å; L295-P306 HydrophobicContact CD1-CB 3.74Å; L295-P306 HydrophobicContact CD1-CG 4.06Å; L295-L331 HydrophobicContact CB-CB 4.39Å; L295-L331 HydrophobicContact CB-CD2 4.43Å; L295-L331 WeakPolarHBondContact CB-O 3.49Å; L295-L331 WeakPolarHBondContact CG-O 3.47Å; L295-L331 PolarHBondContact N-O 3.17Å; L295-L331 VanDerWaalsContact N-O 3.09Å; L295-L331 WeakPolarHBondContact O-CD2 3.19Å; L295-P333 HydrophobicContact CD1-CG 3.78Å; L295-V357 HydrophobicContact CD1-CG1 4.04Å; L295-V357 HydrophobicContact CD2-CG1 4.21Å; L295-M369 HydrophobicContact CB-SD 4.35Å; L295-M369 HydrophobicContact CD1-SD 4.22Å; L295-L403 HydrophobicContact CD2-CD1 3.61Å
296K89.6Confident90.6Very high71 Ų7143.8 Ų43.831%0.30926%0.259SS..PPolyproline II helixtrans-64.4126173.5-177.4175-178178.40110E267 L269 M298 S304E267-K296 IonicContact OE2-NZ 3.48Å; E267-K296 PolarHBondContact OE2-NZ 2.79Å; L269-K296 HydrophobicContact CD2-CD 3.79Å; K296-M298 HydrophobicContact CD-SD 4.04Å; K296-M298 HydrophobicContact CG-SD 4.01Å; K296-M298 PolarHBondContact O-N 2.87Å; K296-S304 PolarHBondContact O-OG 2.83Å
297S87.6Confident90.6Very high43 Ų4342.9 Ų42.930%0.30125%0.252SS..PPolyproline II helixtrans-65.3126.1169.9174.50000110.3L295 D299 G302 S303L295-S297 PolarHBondContact O-N 3.11Å; S297-D299 PolarHBondContact OG-O 2.88Å; S297-G302 WeakPolarHBondContact OG-CA 3.49Å; S297-S303 PolarHBondContact OG-N 2.95Å; S297-S303 PolarHBondContact OG-O 2.93Å
298M83.7Confident90.6Very high59 Ų5942.9 Ų42.929%0.29125%0.252SS..  trans-108.8-21.8174.6-49.4-66.1-68.100112.8K296 S304 D359 D367 M369K296-M298 HydrophobicContact CD-SD 4.04Å; K296-M298 HydrophobicContact CG-SD 4.01Å; K296-M298 PolarHBondContact O-N 2.87Å; M298-S304 PolarHBondContact N-OG 2.91Å; M298-D359 HydrophobicContact CB-CB 4.29Å; M298-D359 VanDerWaalsContact CB-OD2 3.29Å; M298-D359 WeakPolarHBondContact CB-OD2 3.33Å; M298-D359 HydrophobicContact CG-CB 4.25Å; M298-D367 HydrophobicContact CE-CB 3.86Å; M298-M369 HydrophobicContact CG-CG 3.85Å; M298-M369 HydrophobicContact SD-CG 4.43Å
299D82.9Confident90.6Very high45 Ų4543.2 Ų43.224%0.24125%0.251CS..SBendtrans-81.9151.8177.9-59.8-38.5000112.2S297 G301 G302 S303 S304S297-D299 PolarHBondContact OG-O 2.88Å; D299-G301 PolarHBondContact O-N 2.91Å; D299-G302 PolarHBondContact O-N 2.9Å; D299-G302 VanDerWaalsContact O-N 3.1Å; D299-S303 WeakPolarHBondContact CB-O 3.4Å; D299-S303 PolarHBondContact N-O 2.81Å; D299-S304 WeakPolarHBondContact OD2-CA 3.5Å
300L72.3Confident90.5Very high195 Ų19543.2 Ų43.2100%1.02125%0.251SS*.THydrogen-bonded Turntrans-56.3-18.8173-69.5169.9000113.7
301G71.1Confident90.5Very high72 Ų7242.3 Ų42.374%0.74225%0.246SC*.THydrogen-bonded Turntrans-88.76.3179.800000115.3D299 S303D299-G301 PolarHBondContact O-N 2.91Å; G301-S303 VanDerWaalsContact C-N 3.32Å
302G77.9Confident90.4Very high49 Ų4938.8 Ų38.851%0.50523%0.23SC..SBendtrans76.119.3-17900000113.9S297 D299S297-G302 WeakPolarHBondContact OG-CA 3.49Å; D299-G302 PolarHBondContact O-N 2.9Å; D299-G302 VanDerWaalsContact O-N 3.1Å
303S84.4Confident90.1Very high22 Ų2238.8 Ų38.815%0.15423%0.229CC..  trans-134.9178.8-179.3-173.50000110.6S297 D299 G301 K329 S330S297-S303 PolarHBondContact OG-N 2.95Å; S297-S303 PolarHBondContact OG-O 2.93Å; D299-S303 WeakPolarHBondContact CB-O 3.4Å; D299-S303 PolarHBondContact N-O 2.81Å; G301-S303 VanDerWaalsContact C-N 3.32Å; S303-K329 WeakPolarHBondContact OG-CA 3.38Å; S303-S330 PolarHBondContact OG-N 3.38Å
304S90.4Very high90Very high0 Ų037 Ų370%022%0.223CC..  trans-142.8164.3169.3-77.50000111.5K296 M298 D299 P306 K329 S330 D359 M369K296-S304 PolarHBondContact O-OG 2.83Å; M298-S304 PolarHBondContact N-OG 2.91Å; D299-S304 WeakPolarHBondContact OD2-CA 3.5Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; S304-K329 CarbonylContact O-C 3.53Å; S304-K329 WeakPolarHBondContact O-CA 3.37Å; S304-K329 PolarHBondContact O-N 3.28Å; S304-K329 VanDerWaalsContact O-N 3.14Å; S304-S330 PolarHBondContact O-N 3.43Å; S304-D359 WeakPolarHBondContact CA-OD2 3.38Å; S304-D359 WeakPolarHBondContact CB-OD2 3.37Å; S304-D359 PolarHBondContact OG-OD2 3.24Å; S304-M369 WeakPolarHBondContact OG-CE 3.29Å
305D93.9Very high89.7Confident31 Ų3137 Ų3717%0.16622%0.223CC..  trans-105.968.2170-70.7-22.7000111I326 K327 K328 K329 D359 H360D305-I326 HydrophobicContact CB-CG2 4.1Å; D305-K327 CarbonylContact C-O 3.48Å; D305-K327 VanDerWaalsContact C-O 3.26Å; D305-K327 VanDerWaalsContact CA-O 3.23Å; D305-K327 WeakPolarHBondContact CA-O 3.15Å; D305-K328 WeakPolarHBondContact OD1-CA 3.47Å; D305-K329 PolarHBondContact OD1-N 3.5Å; D305-D359 WeakPolarHBondContact CA-OD1 3.44Å; D305-D359 PolarHBondContact N-OD1 2.56Å; D305-H360 HydrophobicContact CB-CB 4.16Å; D305-H360 PolarHBondContact O-N 3.45Å
306P96.8Very high89Confident0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-67.2142.1-169.526.9-38.5000115L295 S304 K327 S330 P333 F335 V357 W358 M369L295-P306 HydrophobicContact CD1-CB 3.74Å; L295-P306 HydrophobicContact CD1-CG 4.06Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; P306-K327 WeakPolarHBondContact CD-O 3.45Å; P306-K327 HydrophobicContact CG-CB 4.37Å; P306-K327 PolarHBondContact O-N 3.29Å; P306-S330 WeakPolarHBondContact CD-O 3.4Å; P306-S330 WeakPolarHBondContact CG-O 3.4Å; P306-P333 HydrophobicContact CB-CG 4.07Å; P306-P333 HydrophobicContact CG-CB 3.73Å; P306-P333 HydrophobicContact CG-CG 3.57Å; P306-F335 HydrophobicContact CB-CZ 4.47Å; P306-V357 HydrophobicContact CB-CG1 4.33Å; P306-W358 CarbonylContact C-O 3.59Å; P306-W358 VanDerWaalsContact CA-O 3.3Å; P306-W358 WeakPolarHBondContact CA-O 3.3Å; P306-M369 HydrophobicContact CB-CE 4Å
307Y97.9Very high88.8Confident13 Ų1349.1 Ų49.15%0.05127%0.27CS..EExtended strand (participates in β ladder)trans-142.8156.2162.972.3-76.1000111.1K309 I326 W358 H360 N366Y307-K309 HydrophobicContact CD2-CG 4.34Å; Y307-K309 HydrophobicContact CE2-CD 4.22Å; Y307-K309 HydrophobicContact CE2-CG 3.79Å; Y307-K309 VanDerWaalsContact CZ-CE 3.48Å; Y307-K309 WeakPolarHBondContact OH-CE 3.47Å; Y307-K309 PolarHBondContact OH-NZ 3.07Å; Y307-I326 HydrophobicContact CD1-CG1 4.22Å; Y307-I326 HydrophobicContact CG-CG1 4.12Å; Y307-W358 HydrophobicContact CD1-CB 3.88Å; Y307-W358 WeakPolarHBondContact CD1-O 3.38Å; Y307-W358 HydrophobicContact CE1-CB 3.25Å; Y307-W358 HydrophobicContact CE1-CG 4.28Å; Y307-W358 HydrophobicContact CE2-CB 4.04Å; Y307-W358 HydrophobicContact CE2-CG 4.38Å; Y307-W358 HydrophobicContact CG-CB 4.47Å; Y307-W358 AromaticContact CZ-CG 3.88Å; Y307-W358 PolarHBondContact N-O 3.31Å; Y307-W358 PolarHBondContact O-N 2.86Å; Y307-W358 WeakPolarHBondContact OH-CB 3.26Å; Y307-H360 HydrophobicContact CD1-CB 3.95Å; Y307-H360 HydrophobicContact CE1-CB 4.02Å; Y307-N366 WeakPolarHBondContact CE1-ND2 3.16Å; Y307-N366 PolarHBondContact OH-ND2 2.94Å
308V98.5Very high88.8Confident0 Ų053.7 Ų53.70%028%0.284CS..EExtended strand (participates in β ladder)trans-112128.7-174.4-173.80000110.4I272 I289 V310 I323 T324 F335 I355 S356 V357I272-V308 HydrophobicContact CD1-CG1 4.01Å; I272-V308 HydrophobicContact CD1-CG2 3.84Å; I289-V308 HydrophobicContact CD1-CG1 4.22Å; I289-V308 HydrophobicContact CG1-CG1 4.33Å; I289-V308 HydrophobicContact CG2-CB 4.27Å; I289-V308 HydrophobicContact CG2-CG1 4.42Å; I289-V308 HydrophobicContact CG2-CG2 3.98Å; V308-V310 HydrophobicContact CG1-CG2 4.28Å; V308-I323 CarbonylContact O-C 3.51Å; V308-I323 VanDerWaalsContact O-CA 3.25Å; V308-I323 WeakPolarHBondContact O-CA 3.26Å; V308-T324 HydrophobicContact CB-CG2 3.85Å; V308-T324 HydrophobicContact CG2-CG2 4.48Å; V308-T324 PolarHBondContact N-OG1 3.47Å; V308-T324 PolarHBondContact O-N 3.15Å; V308-F335 HydrophobicContact CG2-CD2 4.37Å; V308-F335 HydrophobicContact CG2-CE1 4.34Å; V308-F335 HydrophobicContact CG2-CE2 3.79Å; V308-F335 HydrophobicContact CG2-CZ 3.78Å; V308-I355 HydrophobicContact CG1-CG2 3.62Å; V308-S356 CarbonylContact C-O 3.26Å; V308-S356 WeakPolarHBondContact CA-O 3.05Å; V308-V357 HydrophobicContact CG2-CG2 4.25Å
309K98.1Very high89Confident30 Ų3056.1 Ų56.113%0.1329%0.29CS..EExtended strand (participates in β ladder)trans-96.9119168.5-53.4179.3-174.2158.90109Y307 I323 S356 W358Y307-K309 HydrophobicContact CD2-CG 4.34Å; Y307-K309 HydrophobicContact CE2-CD 4.22Å; Y307-K309 HydrophobicContact CE2-CG 3.79Å; Y307-K309 VanDerWaalsContact CZ-CE 3.48Å; Y307-K309 WeakPolarHBondContact OH-CE 3.47Å; Y307-K309 PolarHBondContact OH-NZ 3.07Å; K309-I323 HydrophobicContact CB-CG2 4.28Å; K309-I323 HydrophobicContact CG-CG2 3.85Å; K309-S356 PolarHBondContact N-O 3.31Å; K309-S356 PolarHBondContact O-N 3.22Å; K309-S356 PolarHBondContact O-OG 2.98Å; K309-W358 HydrophobicContact CD-CD2 4.25Å; K309-W358 HydrophobicContact CD-CG 4.21Å; K309-W358 HydrophobicContact CD-CZ2 4.28Å; K309-W358 HydrophobicContact CG-CG 4.46Å; K309-W358 VanDerWaalsContact NZ-CE3 3.31Å
310V98.2Very high89.5Confident0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-101.9113.4175.3-172.50000108.2V287 I289 V308 K321 R322 F339 F341 L353V287-V310 HydrophobicContact CB-CG1 4.31Å; V287-V310 HydrophobicContact CG1-CG1 4.05Å; V287-V310 HydrophobicContact CG2-CG1 4.45Å; I289-V310 HydrophobicContact CD1-CG2 3.77Å; I289-V310 HydrophobicContact CG1-CG2 3.74Å; V308-V310 HydrophobicContact CG1-CG2 4.28Å; V310-K321 CarbonylContact O-C 3.58Å; V310-K321 WeakPolarHBondContact O-CA 3.34Å; V310-R322 PolarHBondContact N-O 3.3Å; V310-R322 PolarHBondContact O-N 2.94Å; V310-F339 HydrophobicContact CB-CD2 4.39Å; V310-F339 HydrophobicContact CG2-CD2 3.84Å; V310-F339 HydrophobicContact CG2-CE2 3.92Å; V310-F341 HydrophobicContact CG1-CE2 3.94Å; V310-F341 HydrophobicContact CG1-CZ 3.98Å; V310-L353 HydrophobicContact CG1-CD1 3.68Å
311Q97.3Very high90.7Very high22 Ų2251.5 Ų51.510%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-131.5123.2-171.5-163.8-160-73.300111.4T313 K318 K320 K321 V354Q311-T313 VanDerWaalsContact NE2-CG2 3.27Å; Q311-K318 VanDerWaalsContact NE2-CG 3.26Å; Q311-K320 CarbonylContact C-O 3.35Å; Q311-K320 WeakPolarHBondContact CA-O 3.3Å; Q311-K321 HydrophobicContact CB-CG 4.4Å; Q311-K321 HydrophobicContact CG-CB 4.12Å; Q311-K321 HydrophobicContact CG-CG 4.25Å; Q311-V354 HydrophobicContact CB-CB 4.37Å; Q311-V354 PolarHBondContact N-O 2.96Å; Q311-V354 WeakPolarHBondContact O-CA 3.27Å; Q311-V354 WeakPolarHBondContact O-CB 3.47Å; Q311-V354 PolarHBondContact O-N 2.81Å
312L96.4Very high92Very high0 Ų054.2 Ų54.20%025%0.248CC..EExtended strand (participates in β ladder)trans-82.2136167.4-61.9-176.1000110.1L285 W319 K320 F341 V343 V351 L353L285-L312 HydrophobicContact CD2-CD2 4.07Å; L312-W319 HydrophobicContact CB-CE3 4.32Å; L312-W319 HydrophobicContact CD1-CE3 4.35Å; L312-W319 HydrophobicContact CD1-CZ3 4.46Å; L312-W319 PolarHBondContact O-N 3.09Å; L312-K320 HydrophobicContact CB-CB 4.44Å; L312-K320 HydrophobicContact CD1-CB 4.5Å; L312-K320 PolarHBondContact N-O 3.06Å; L312-F341 HydrophobicContact CD1-CB 3.55Å; L312-F341 HydrophobicContact CD1-CD1 3.8Å; L312-F341 HydrophobicContact CD1-CD2 4.15Å; L312-F341 HydrophobicContact CD1-CG 3.57Å; L312-F341 HydrophobicContact CG-CD1 4.2Å; L312-F341 HydrophobicContact CG-CD2 4.42Å; L312-F341 HydrophobicContact CG-CE1 4.46Å; L312-F341 HydrophobicContact CG-CG 4.18Å; L312-V343 HydrophobicContact CD1-CG2 3.71Å; L312-V351 HydrophobicContact CB-CG2 3.94Å; L312-V351 HydrophobicContact CD1-CG2 4.37Å; L312-V351 HydrophobicContact CD2-CG2 4.05Å; L312-V351 HydrophobicContact CG-CG2 4.34Å; L312-L353 HydrophobicContact CD2-CB 4.11Å; L312-L353 HydrophobicContact CD2-CD1 3.77Å
313T93.1Very high92.9Very high1 Ų156.1 Ų56.11%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-118.9127168.549.50000108.8Q311 R317 V351 N352 V354Q311-T313 VanDerWaalsContact NE2-CG2 3.27Å; T313-R317 CarbonylContact C-O 3.44Å; T313-R317 WeakPolarHBondContact CA-O 3.29Å; T313-V351 CarbonylContact O-C 3.55Å; T313-V351 WeakPolarHBondContact O-CA 3.5Å; T313-V351 WeakPolarHBondContact O-CG2 3.12Å; T313-N352 PolarHBondContact N-O 3.45Å; T313-N352 PolarHBondContact O-N 3.3Å; T313-N352 VanDerWaalsContact OG1-CB 3.29Å; T313-N352 WeakPolarHBondContact OG1-CB 3.46Å; T313-N352 PolarHBondContact OG1-O 3.35Å; T313-V354 HydrophobicContact CG2-CG2 4.04Å
314L92.1Very high93.6Very high30 Ų3055.4 Ų55.416%0.15724%0.24CC..EExtended strand (participates in β ladder)trans-117.4130178177.365.1000107.9K316 R317 W319 Q347 R350 V351L314-K316 PolarHBondContact O-N 2.99Å; L314-K316 VanDerWaalsContact O-N 3.17Å; L314-R317 PolarHBondContact N-O 3.26Å; L314-R317 WeakPolarHBondContact O-CB 3.29Å; L314-R317 PolarHBondContact O-N 3.41Å; L314-W319 HydrophobicContact CB-CB 4.44Å; L314-W319 HydrophobicContact CB-CE3 4.12Å; L314-W319 HydrophobicContact CD2-CE3 4.32Å; L314-W319 HydrophobicContact CD2-CZ3 4.46Å; L314-Q347 HydrophobicContact CD1-CB 4.47Å; L314-R350 HydrophobicContact CD1-CB 3.85Å; L314-V351 HydrophobicContact CD1-CB 4.45Å
315D86.6Confident93.9Very high91 Ų9157.9 Ų57.949%0.48726%0.258SS..THydrogen-bonded Turntrans50.343.3-178.8-53.4-40.4000112.3R317 R350D315-R317 PolarHBondContact O-N 3.06Å; D315-R317 VanDerWaalsContact O-N 3.11Å; D315-R350 VanDerWaalsContact OD1-CD 3.3Å; D315-R350 WeakPolarHBondContact OD1-CD 3.49Å; D315-R350 IonicContact OD1-NE 2.83Å; D315-R350 PolarHBondContact OD1-NE 3.15Å; D315-R350 IonicContact OD2-NE 3.53Å
316K79.9Confident94.1Very high131 Ų13159.9 Ų59.957%0.5727%0.268SS*.THydrogen-bonded Turntrans61.216.2-177.9-52.7178.4-178.6177.70114.5L314 L415L314-K316 PolarHBondContact O-N 2.99Å; L314-K316 VanDerWaalsContact O-N 3.17Å; K316-L415 VanDerWaalsContact O-CD2 3.29Å; K316-L415 WeakPolarHBondContact O-CD2 3.45Å
317R84.7Confident94.1Very high198 Ų19862.8 Ų62.875%0.74728%0.28SS*.EExtended strand (participates in β ladder)trans-110.7141.1173.5-63.2-178.1-178.5-169.71.9110.2T313 L314 D315 W319T313-R317 CarbonylContact C-O 3.44Å; T313-R317 WeakPolarHBondContact CA-O 3.29Å; L314-R317 PolarHBondContact N-O 3.26Å; L314-R317 WeakPolarHBondContact O-CB 3.29Å; L314-R317 PolarHBondContact O-N 3.41Å; D315-R317 PolarHBondContact O-N 3.06Å; D315-R317 VanDerWaalsContact O-N 3.11Å; R317-W319 PolarHBondContact O-N 3.44Å
318K88.3Confident93.9Very high138 Ų13870.3 Ų70.360%0.631%0.313SS*.EExtended strand (participates in β ladder)trans-65.6132.4175.3-53.8-164.9172.1-164.80109.4Q311Q311-K318 VanDerWaalsContact NE2-CG 3.26Å
319W88.8Confident93.5Very high110 Ų11078.3 Ų78.342%0.41735%0.348SS..EExtended strand (participates in β ladder)trans-118.6-86.6-176.6-176.528.1000112.2L312 L314 R317 D342 V343L312-W319 HydrophobicContact CB-CE3 4.32Å; L312-W319 HydrophobicContact CD1-CE3 4.35Å; L312-W319 HydrophobicContact CD1-CZ3 4.46Å; L312-W319 PolarHBondContact O-N 3.09Å; L314-W319 HydrophobicContact CB-CB 4.44Å; L314-W319 HydrophobicContact CB-CE3 4.12Å; L314-W319 HydrophobicContact CD2-CE3 4.32Å; L314-W319 HydrophobicContact CD2-CZ3 4.46Å; R317-W319 PolarHBondContact O-N 3.44Å; W319-D342 VanDerWaalsContact CH2-O 3.31Å; W319-D342 WeakPolarHBondContact CH2-O 3.46Å; W319-V343 HydrophobicContact CZ3-CG2 4.23Å
320K93.5Very high93.3Very high43 Ų4378.4 Ų78.419%0.18735%0.352CS..EExtended strand (participates in β ladder)trans-103.2142.4-179.6-63.3180-178.9175.90110Q311 L312 F341 D342Q311-K320 CarbonylContact C-O 3.35Å; Q311-K320 WeakPolarHBondContact CA-O 3.3Å; L312-K320 HydrophobicContact CB-CB 4.44Å; L312-K320 HydrophobicContact CD1-CB 4.5Å; L312-K320 PolarHBondContact N-O 3.06Å; K320-F341 HydrophobicContact CB-CD1 3.66Å; K320-F341 HydrophobicContact CB-CE1 3.81Å; K320-F341 HydrophobicContact CD-CB 4.4Å; K320-F341 HydrophobicContact CD-CD1 3.86Å; K320-F341 HydrophobicContact CG-CD1 4.38Å; K320-D342 PolarHBondContact NZ-O 2.81Å; K320-D342 IonicContact NZ-OD2 2.61Å; K320-D342 PolarHBondContact NZ-OD2 3.48Å
321K96.7Very high93.1Very high100 Ų10080.5 Ų80.544%0.43536%0.363SS..EExtended strand (participates in β ladder)trans-135.8138.4177.6-173.5-175168.7-162.40110.6V310 Q311V310-K321 CarbonylContact O-C 3.58Å; V310-K321 WeakPolarHBondContact O-CA 3.34Å; Q311-K321 HydrophobicContact CB-CG 4.4Å; Q311-K321 HydrophobicContact CG-CB 4.12Å; Q311-K321 HydrophobicContact CG-CG 4.25Å
322R97.9Very high93.1Very high129 Ų12983.9 Ų83.949%0.48738%0.382SS..EExtended strand (participates in β ladder)trans-133.2160168.6-63.3-65.8-178.5-99.85.2109.5V310 F339 F341V310-R322 PolarHBondContact N-O 3.3Å; V310-R322 PolarHBondContact O-N 2.94Å; R322-F339 HydrophobicContact CB-CB 4.45Å; R322-F339 HydrophobicContact CB-CD1 3.38Å; R322-F339 HydrophobicContact CB-CE1 3.71Å; R322-F339 HydrophobicContact CB-CG 3.93Å; R322-F339 HydrophobicContact CG-CB 4.39Å; R322-F339 HydrophobicContact CG-CD1 3.75Å; R322-F339 HydrophobicContact CG-CE1 4.45Å; R322-F339 HydrophobicContact CG-CG 4.31Å; R322-F341 HydrophobicContact CB-CZ 4.27Å; R322-F341 HydrophobicContact CG-CE1 3.83Å; R322-F341 HydrophobicContact CG-CZ 3.81Å
323I97.8Very high93.2Very high90 Ų9084 Ų8446%0.46238%0.383SS..EExtended strand (participates in β ladder)trans-133.9148.5176.966.8176.5000108.7V308 K309 F339V308-I323 CarbonylContact O-C 3.51Å; V308-I323 VanDerWaalsContact O-CA 3.25Å; V308-I323 WeakPolarHBondContact O-CA 3.26Å; K309-I323 HydrophobicContact CB-CG2 4.28Å; K309-I323 HydrophobicContact CG-CG2 3.85Å; I323-F339 WeakPolarHBondContact O-CE1 3.36Å; I323-F339 WeakPolarHBondContact O-CZ 3.39Å
324T98.4Very high93.4Very high7 Ų790.3 Ų90.34%0.04341%0.407CS..PPolyproline II helixtrans-78.8173.1171.863.30000111.7I289 V308 F335 E337 F339I289-T324 HydrophobicContact CB-CG2 4.14Å; I289-T324 HydrophobicContact CG1-CG2 4.15Å; I289-T324 HydrophobicContact CG2-CG2 4.22Å; V308-T324 HydrophobicContact CB-CG2 3.85Å; V308-T324 HydrophobicContact CG2-CG2 4.48Å; V308-T324 PolarHBondContact N-OG1 3.47Å; V308-T324 PolarHBondContact O-N 3.15Å; T324-F335 HydrophobicContact CG2-CD1 4.13Å; T324-F335 HydrophobicContact CG2-CG 4.45Å; T324-F335 WeakPolarHBondContact OG1-CE1 3.37Å; T324-E337 WeakPolarHBondContact CA-OE2 3.21Å; T324-E337 WeakPolarHBondContact CB-OE1 3.23Å; T324-E337 HydrophobicContact CG2-CB 4.3Å; T324-F339 HydrophobicContact CG2-CE2 3.77Å; T324-F339 HydrophobicContact CG2-CZ 3.76Å
325S97.4Very high93.7Very high52 Ų5289.4 Ų89.436%0.36440%0.402SS..PPolyproline II helixtrans-59.5154.7158.567.90000111.4K327 E337S325-K327 VanDerWaalsContact OG-CE 3.26Å; S325-K327 WeakPolarHBondContact OG-CE 3.23Å; S325-K327 PolarHBondContact OG-NZ 3.11Å; S325-E337 VanDerWaalsContact CB-OE1 3.29Å; S325-E337 WeakPolarHBondContact CB-OE1 3.46Å; S325-E337 PolarHBondContact N-OE1 2.88Å; S325-E337 PolarHBondContact N-OE2 2.75Å; S325-E337 PolarHBondContact OG-OE1 2.83Å
326I97.4Very high94.2Very high73 Ų7389.3 Ų89.337%0.37440%0.401SS..PPolyproline II helixtrans-86.5130174.2-62.2155.7000108.1D305 Y307 H360D305-I326 HydrophobicContact CB-CG2 4.1Å; Y307-I326 HydrophobicContact CD1-CG1 4.22Å; Y307-I326 HydrophobicContact CG-CG1 4.12Å; I326-H360 HydrophobicContact CD1-CB 4.06Å; I326-H360 WeakPolarHBondContact CD1-CD2 3.34Å; I326-H360 HydrophobicContact CG1-CB 4.2Å; I326-H360 HydrophobicContact CG2-CB 3.9Å
327K96.6Very high95.1Very high61 Ų6185.1 Ų85.127%0.26538%0.384SS..PPolyproline II helixtrans-102.2119.5173.2-56.5-62172.61670107.8D305 P306 S325 P333 Y334 F335D305-K327 CarbonylContact C-O 3.48Å; D305-K327 VanDerWaalsContact C-O 3.26Å; D305-K327 VanDerWaalsContact CA-O 3.23Å; D305-K327 WeakPolarHBondContact CA-O 3.15Å; P306-K327 WeakPolarHBondContact CD-O 3.45Å; P306-K327 HydrophobicContact CG-CB 4.37Å; P306-K327 PolarHBondContact O-N 3.29Å; S325-K327 VanDerWaalsContact OG-CE 3.26Å; S325-K327 WeakPolarHBondContact OG-CE 3.23Å; S325-K327 PolarHBondContact OG-NZ 3.11Å; K327-P333 HydrophobicContact CB-CB 3.83Å; K327-P333 HydrophobicContact CG-CB 3.84Å; K327-Y334 WeakPolarHBondContact CE-O 3.28Å; K327-Y334 PolarHBondContact NZ-O 3.33Å; K327-Y334 VanDerWaalsContact NZ-O 3.13Å; K327-F335 HydrophobicContact CG-CD1 3.96Å; K327-F335 HydrophobicContact CG-CE1 3.62Å; K327-F335 HydrophobicContact CG-CZ 4.21Å
328K93.4Very high95.7Very high170 Ų17079.2 Ų79.274%0.73937%0.373SS*.SBendtrans-79.3142.8-175.9-65-175.1177.9-176.20111.6D305 S330D305-K328 WeakPolarHBondContact OD1-CA 3.47Å; K328-S330 PolarHBondContact O-N 3.35Å
329K91.8Very high96.2Very high169 Ų16973.7 Ų73.774%0.73535%0.349SS*.SBendtrans44.855.3171.4-62.1-174.1177.4-174.10114S303 S304 D305S303-K329 WeakPolarHBondContact OG-CA 3.38Å; S304-K329 CarbonylContact O-C 3.53Å; S304-K329 WeakPolarHBondContact O-CA 3.37Å; S304-K329 PolarHBondContact O-N 3.28Å; S304-K329 VanDerWaalsContact O-N 3.14Å; D305-K329 PolarHBondContact OD1-N 3.5Å
330S93.4Very high96.7Very high31 Ų3171.8 Ų71.822%0.21735%0.35CS..  trans-142.6134.7179.8-176.90000112.2S303 S304 P306 K328 N332S303-S330 PolarHBondContact OG-N 3.38Å; S304-S330 PolarHBondContact O-N 3.43Å; P306-S330 WeakPolarHBondContact CD-O 3.4Å; P306-S330 WeakPolarHBondContact CG-O 3.4Å; K328-S330 PolarHBondContact O-N 3.35Å; S330-N332 VanDerWaalsContact OG-C 3.23Å; S330-N332 PolarHBondContact OG-N 3.09Å; S330-N332 VanDerWaalsContact OG-N 3.12Å; S330-N332 PolarHBondContact OG-O 2.99Å
331L94.3Very high96.9Very high45 Ų4569.8 Ų69.824%0.23634%0.341CS..SBendtrans-97.3-5.3167.7-55.7-177.9000112.6K293 D294 L295 P333K293-L331 CarbonylContact C-O 3.53Å; D294-L331 PolarHBondContact N-O 3.03Å; L295-L331 HydrophobicContact CB-CB 4.39Å; L295-L331 HydrophobicContact CB-CD2 4.43Å; L295-L331 WeakPolarHBondContact CB-O 3.49Å; L295-L331 WeakPolarHBondContact CG-O 3.47Å; L295-L331 PolarHBondContact N-O 3.17Å; L295-L331 VanDerWaalsContact N-O 3.09Å; L295-L331 WeakPolarHBondContact O-CD2 3.19Å; L331-P333 VanDerWaalsContact C-CD 3.4Å
332N96.8Very high96.9Very high93 Ų9368.9 Ų68.950%0.49734%0.341SS..SBendtrans-129.561178.6-58.7-76.8000110.7A292 K293 D294 S330A292-N332 CarbonylContact O-C 3.58Å; A292-N332 VanDerWaalsContact O-C 3.26Å; A292-N332 WeakPolarHBondContact O-CA 3.42Å; K293-N332 WeakPolarHBondContact CA-OD1 3.27Å; K293-N332 VanDerWaalsContact CB-OD1 3.23Å; K293-N332 WeakPolarHBondContact CB-OD1 3.29Å; D294-N332 PolarHBondContact N-OD1 2.77Å; S330-N332 VanDerWaalsContact OG-C 3.23Å; S330-N332 PolarHBondContact OG-N 3.09Å; S330-N332 VanDerWaalsContact OG-N 3.12Å; S330-N332 PolarHBondContact OG-O 2.99Å
333P97.4Very high96.8Very high2 Ų262.8 Ų62.81%0.01332%0.318CS..  trans-74.5137.3-173.231.5-38.9000112.9E291 A292 L295 P306 K327 L331 F335E291-P333 CarbonylContact C-O 3.13Å; E291-P333 WeakPolarHBondContact CA-O 3.28Å; E291-P333 WeakPolarHBondContact CB-O 3.36Å; A292-P333 HydrophobicContact CB-CG 3.92Å; A292-P333 PolarHBondContact N-O 3.14Å; A292-P333 WeakPolarHBondContact O-CD 3.12Å; L295-P333 HydrophobicContact CD1-CG 3.78Å; P306-P333 HydrophobicContact CB-CG 4.07Å; P306-P333 HydrophobicContact CG-CB 3.73Å; P306-P333 HydrophobicContact CG-CG 3.57Å; K327-P333 HydrophobicContact CB-CB 3.83Å; K327-P333 HydrophobicContact CG-CB 3.84Å; L331-P333 VanDerWaalsContact C-CD 3.4Å; P333-F335 HydrophobicContact CB-CD2 4.46Å; P333-F335 HydrophobicContact CB-CE1 4.42Å; P333-F335 HydrophobicContact CB-CE2 3.72Å; P333-F335 HydrophobicContact CB-CZ 3.68Å; P333-F335 HydrophobicContact CG-CE2 3.51Å; P333-F335 HydrophobicContact CG-CZ 3.68Å
334Y98Very high96.7Very high134 Ų13460.4 Ų60.453%0.52531%0.309SS..EExtended strand (participates in β ladder)trans-101.1122.5167.7-176.7-100.6000110.7E291 K327 N336E291-Y334 HydrophobicContact CB-CD2 4.07Å; K327-Y334 WeakPolarHBondContact CE-O 3.28Å; K327-Y334 PolarHBondContact NZ-O 3.33Å; K327-Y334 VanDerWaalsContact NZ-O 3.13Å; Y334-N336 HydrophobicContact CD1-CB 4.47Å; Y334-N336 HydrophobicContact CE1-CB 3.65Å; Y334-N336 HydrophobicContact CE2-CB 4.31Å; Y334-N336 WeakPolarHBondContact OH-CB 3.29Å
335F98.1Very high96.4Very high11 Ų1164.8 Ų64.85%0.04833%0.332CS..EExtended strand (participates in β ladder)trans-105-60.9-177.2-61.2-81.6000111.8I289 L290 P306 V308 T324 K327 P333 E337I289-F335 HydrophobicContact CB-CB 4.48Å; I289-F335 HydrophobicContact CG2-CB 4.04Å; I289-F335 HydrophobicContact CG2-CD2 3.77Å; I289-F335 HydrophobicContact CG2-CE2 4.49Å; I289-F335 HydrophobicContact CG2-CG 4.03Å; L290-F335 WeakPolarHBondContact O-CA 3.41Å; L290-F335 PolarHBondContact O-N 3.05Å; P306-F335 HydrophobicContact CB-CZ 4.47Å; V308-F335 HydrophobicContact CG2-CD2 4.37Å; V308-F335 HydrophobicContact CG2-CE1 4.34Å; V308-F335 HydrophobicContact CG2-CE2 3.79Å; V308-F335 HydrophobicContact CG2-CZ 3.78Å; T324-F335 HydrophobicContact CG2-CD1 4.13Å; T324-F335 HydrophobicContact CG2-CG 4.45Å; T324-F335 WeakPolarHBondContact OG1-CE1 3.37Å; K327-F335 HydrophobicContact CG-CD1 3.96Å; K327-F335 HydrophobicContact CG-CE1 3.62Å; K327-F335 HydrophobicContact CG-CZ 4.21Å; P333-F335 HydrophobicContact CB-CD2 4.46Å; P333-F335 HydrophobicContact CB-CE1 4.42Å; P333-F335 HydrophobicContact CB-CE2 3.72Å; P333-F335 HydrophobicContact CB-CZ 3.68Å; P333-F335 HydrophobicContact CG-CE2 3.51Å; P333-F335 HydrophobicContact CG-CZ 3.68Å; F335-E337 VanDerWaalsContact C-N 3.35Å; F335-E337 HydrophobicContact CB-CG 4.4Å
336N97.8Very high96.1Very high88 Ų8867.5 Ų67.547%0.47134%0.342SS..EExtended strand (participates in β ladder)trans49.149.3-170-165.833.4000113.9I289 L290 Y334I289-N336 CarbonylContact O-C 3.57Å; I289-N336 WeakPolarHBondContact O-CA 3.34Å; I289-N336 PolarHBondContact O-N 3.27Å; L290-N336 PolarHBondContact O-N 2.92Å; Y334-N336 HydrophobicContact CD1-CB 4.47Å; Y334-N336 HydrophobicContact CE1-CB 3.65Å; Y334-N336 HydrophobicContact CE2-CB 4.31Å; Y334-N336 WeakPolarHBondContact OH-CB 3.29Å
337E98.6Very high96Very high43 Ų4366.2 Ų66.220%0.20134%0.335CS..EExtended strand (participates in β ladder)trans-111.4128.7-176.4-67.6-178.1-130.400111.4V288 I289 T324 S325 F335 F339V288-E337 CarbonylContact C-O 3.53Å; V288-E337 WeakPolarHBondContact CA-O 3.41Å; I289-E337 PolarHBondContact N-O 3.2Å; I289-E337 PolarHBondContact O-N 3.11Å; T324-E337 WeakPolarHBondContact CA-OE2 3.21Å; T324-E337 WeakPolarHBondContact CB-OE1 3.23Å; T324-E337 HydrophobicContact CG2-CB 4.3Å; S325-E337 VanDerWaalsContact CB-OE1 3.29Å; S325-E337 WeakPolarHBondContact CB-OE1 3.46Å; S325-E337 PolarHBondContact N-OE1 2.88Å; S325-E337 PolarHBondContact N-OE2 2.75Å; S325-E337 PolarHBondContact OG-OE1 2.83Å; F335-E337 VanDerWaalsContact C-N 3.35Å; F335-E337 HydrophobicContact CB-CG 4.4Å; E337-F339 HydrophobicContact CB-CE2 4.13Å; E337-F339 HydrophobicContact CB-CZ 4.06Å
338S98.2Very high95.9Very high74 Ų7463.5 Ų63.552%0.51732%0.323SS..EExtended strand (participates in β ladder)trans-102.7131.8-175.8-177.80000112.5T286T286-S338 WeakPolarHBondContact CG2-OG 3.42Å
339F98.3Very high95.8Very high23 Ų2361.5 Ų61.510%0.10132%0.316CS..EExtended strand (participates in β ladder)trans-124.2126.2177-54.7-73.3000110T286 V287 I289 V310 R322 I323 T324 E337 F341T286-F339 CarbonylContact C-O 3.57Å; T286-F339 WeakPolarHBondContact CA-O 3.45Å; V287-F339 PolarHBondContact N-O 2.97Å; V287-F339 PolarHBondContact O-N 2.8Å; I289-F339 HydrophobicContact CG1-CD2 4.24Å; I289-F339 HydrophobicContact CG1-CE2 3.88Å; V310-F339 HydrophobicContact CB-CD2 4.39Å; V310-F339 HydrophobicContact CG2-CD2 3.84Å; V310-F339 HydrophobicContact CG2-CE2 3.92Å; R322-F339 HydrophobicContact CB-CB 4.45Å; R322-F339 HydrophobicContact CB-CD1 3.38Å; R322-F339 HydrophobicContact CB-CE1 3.71Å; R322-F339 HydrophobicContact CB-CG 3.93Å; R322-F339 HydrophobicContact CG-CB 4.39Å; R322-F339 HydrophobicContact CG-CD1 3.75Å; R322-F339 HydrophobicContact CG-CE1 4.45Å; R322-F339 HydrophobicContact CG-CG 4.31Å; I323-F339 WeakPolarHBondContact O-CE1 3.36Å; I323-F339 WeakPolarHBondContact O-CZ 3.39Å; T324-F339 HydrophobicContact CG2-CE2 3.77Å; T324-F339 HydrophobicContact CG2-CZ 3.76Å; E337-F339 HydrophobicContact CB-CE2 4.13Å; E337-F339 HydrophobicContact CB-CZ 4.06Å; F339-F341 HydrophobicContact CB-CE2 3.81Å; F339-F341 HydrophobicContact CB-CZ 4.07Å
340T98Very high95.8Very high69 Ų6958.1 Ų58.142%0.42330%0.299SS..EExtended strand (participates in β ladder)trans-112.4134.4177.4-61.70000110.8K284 L285 T286K284-T340 HydrophobicContact CB-CG2 4.16Å; K284-T340 HydrophobicContact CD-CG2 3.83Å; K284-T340 HydrophobicContact CG-CG2 4.34Å; L285-T340 WeakPolarHBondContact O-CA 3.18Å; T286-T340 PolarHBondContact OG1-OG1 3.44Å
341F97.8Very high95.9Very high2 Ų256.6 Ų56.61%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-126136.3-179.8-56.8-85.5000110.8L285 V287 V310 L312 K320 R322 F339 V343L285-F341 PolarHBondContact N-O 2.74Å; L285-F341 PolarHBondContact O-N 3.18Å; V287-F341 HydrophobicContact CG2-CD2 4.36Å; V287-F341 HydrophobicContact CG2-CE2 4.15Å; V310-F341 HydrophobicContact CG1-CE2 3.94Å; V310-F341 HydrophobicContact CG1-CZ 3.98Å; L312-F341 HydrophobicContact CD1-CB 3.55Å; L312-F341 HydrophobicContact CD1-CD1 3.8Å; L312-F341 HydrophobicContact CD1-CD2 4.15Å; L312-F341 HydrophobicContact CD1-CG 3.57Å; L312-F341 HydrophobicContact CG-CD1 4.2Å; L312-F341 HydrophobicContact CG-CD2 4.42Å; L312-F341 HydrophobicContact CG-CE1 4.46Å; L312-F341 HydrophobicContact CG-CG 4.18Å; K320-F341 HydrophobicContact CB-CD1 3.66Å; K320-F341 HydrophobicContact CB-CE1 3.81Å; K320-F341 HydrophobicContact CD-CB 4.4Å; K320-F341 HydrophobicContact CD-CD1 3.86Å; K320-F341 HydrophobicContact CG-CD1 4.38Å; R322-F341 HydrophobicContact CB-CZ 4.27Å; R322-F341 HydrophobicContact CG-CE1 3.83Å; R322-F341 HydrophobicContact CG-CZ 3.81Å; F339-F341 HydrophobicContact CB-CE2 3.81Å; F339-F341 HydrophobicContact CB-CZ 4.07Å; F341-V343 HydrophobicContact CB-CG2 4.12Å; F341-V343 PolarHBondContact O-N 2.83Å
342D96.9Very high96Very high81 Ų8154.7 Ų54.743%0.43328%0.278SS..EExtended strand (participates in β ladder)trans-76.6117168.7-34.6-69.9000109.6S283 K284 W319 K320S283-D342 CarbonylContact O-C 3.54Å; S283-D342 VanDerWaalsContact O-CA 3.28Å; S283-D342 WeakPolarHBondContact O-CA 3.18Å; K284-D342 WeakPolarHBondContact CE-OD1 3.49Å; K284-D342 IonicContact NZ-OD1 3.23Å; K284-D342 PolarHBondContact NZ-OD1 2.94Å; W319-D342 VanDerWaalsContact CH2-O 3.31Å; W319-D342 WeakPolarHBondContact CH2-O 3.46Å; K320-D342 PolarHBondContact NZ-O 2.81Å; K320-D342 IonicContact NZ-OD2 2.61Å; K320-D342 PolarHBondContact NZ-OD2 3.48Å
343V96.7Very high96Very high1 Ų150.2 Ų50.21%0.00626%0.255CS..  trans-141110.3179.9-175.20000107.4Y278 S283 L285 L312 W319 F341 Q347 I348 V351Y278-V343 HydrophobicContact CE2-CB 4.39Å; Y278-V343 VanDerWaalsContact CE2-O 3.27Å; Y278-V343 WeakPolarHBondContact CE2-O 3.03Å; Y278-V343 PolarHBondContact OH-O 2.83Å; S283-V343 CarbonylContact C-O 3.59Å; S283-V343 WeakPolarHBondContact CA-O 3.45Å; S283-V343 WeakPolarHBondContact CB-O 3.45Å; S283-V343 PolarHBondContact O-N 3.17Å; L285-V343 HydrophobicContact CB-CB 4.41Å; L285-V343 HydrophobicContact CB-CG2 4.06Å; L285-V343 HydrophobicContact CD2-CG2 4.36Å; L312-V343 HydrophobicContact CD1-CG2 3.71Å; W319-V343 HydrophobicContact CZ3-CG2 4.23Å; F341-V343 HydrophobicContact CB-CG2 4.12Å; F341-V343 PolarHBondContact O-N 2.83Å; V343-Q347 HydrophobicContact CG1-CB 3.84Å; V343-I348 HydrophobicContact CB-CD1 4.42Å; V343-I348 HydrophobicContact CG1-CB 4.1Å; V343-I348 HydrophobicContact CG1-CD1 3.77Å; V343-V351 HydrophobicContact CG1-CG1 4.12Å
344S95.9Very high96Very high40 Ų4050.2 Ų50.228%0.2825%0.254SS..  trans-71.5165.8176.772.60000111.7Y278 D346 Q347 I348Y278-S344 VanDerWaalsContact OH-C 3.23Å; Y278-S344 PolarHBondContact OH-O 2.83Å; S344-D346 PolarHBondContact O-N 2.94Å; S344-Q347 PolarHBondContact O-N 3Å; S344-Q347 WeakPolarHBondContact OG-CG 3.33Å; S344-I348 PolarHBondContact O-N 2.81Å
345L90.8Very high96Very high98 Ų9843.8 Ų43.851%0.51323%0.229SC..Hα-helixtrans-57.9-38-179.9-167.274.2000111.8Y278 P280 Q347 I348Y278-L345 HydrophobicContact CE1-CD1 4.28Å; Y278-L345 PolarHBondContact OH-N 2.87Å; P280-L345 HydrophobicContact CB-CD1 4.43Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 3.5Å; L345-I348 HydrophobicContact CD1-CG2 4.46Å; L345-I348 VanDerWaalsContact O-CG2 3.26Å; L345-I348 WeakPolarHBondContact O-CG2 3.39Å; L345-I348 PolarHBondContact O-N 2.93Å
346D92.1Very high96Very high109 Ų10943.7 Ų43.758%0.58323%0.23SC*.Hα-helixtrans-67.8-28.3176.2-54.1-56.8000112.8S344 R350S344-D346 PolarHBondContact O-N 2.94Å; D346-R350 PolarHBondContact O-NH1 3.1Å
347Q94.9Very high96Very high47 Ų4739.5 Ų39.522%0.2221%0.208CC..Hα-helixtrans-85-29.9-179.2-56.6-57.6-25.300111.8L314 V343 S344 L345 Q349 R350 V351L314-Q347 HydrophobicContact CD1-CB 4.47Å; V343-Q347 HydrophobicContact CG1-CB 3.84Å; S344-Q347 PolarHBondContact O-N 3Å; S344-Q347 WeakPolarHBondContact OG-CG 3.33Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 3.5Å; Q347-Q349 PolarHBondContact O-N 3.17Å; Q347-R350 VanDerWaalsContact NE2-NH2 3.19Å; Q347-R350 PolarHBondContact O-N 3.46Å; Q347-V351 WeakPolarHBondContact O-CB 2.95Å; Q347-V351 PolarHBondContact O-N 2.95Å
348I94.4Very high95.9Very high4 Ų439.9 Ų39.92%0.02121%0.207CC..Hα-helixtrans-62.2-27.3-175.9-157.663.7000112.4Y278 L285 V343 S344 L345 V351 W386 M389 L390Y278-I348 HydrophobicContact CD1-CG1 4.35Å; Y278-I348 HydrophobicContact CD2-CD1 3.94Å; Y278-I348 HydrophobicContact CD2-CG1 4.37Å; Y278-I348 HydrophobicContact CE1-CB 4.38Å; Y278-I348 HydrophobicContact CE1-CG1 4.2Å; Y278-I348 HydrophobicContact CE1-CG2 4.33Å; Y278-I348 HydrophobicContact CE2-CD1 3.95Å; Y278-I348 HydrophobicContact CE2-CG1 4.25Å; Y278-I348 HydrophobicContact CG-CD1 4.37Å; Y278-I348 HydrophobicContact CG-CG1 4.44Å; L285-I348 HydrophobicContact CD2-CD1 4.25Å; V343-I348 HydrophobicContact CB-CD1 4.42Å; V343-I348 HydrophobicContact CG1-CB 4.1Å; V343-I348 HydrophobicContact CG1-CD1 3.77Å; S344-I348 PolarHBondContact O-N 2.81Å; L345-I348 HydrophobicContact CD1-CG2 4.46Å; L345-I348 VanDerWaalsContact O-CG2 3.26Å; L345-I348 WeakPolarHBondContact O-CG2 3.39Å; L345-I348 PolarHBondContact O-N 2.93Å; I348-V351 HydrophobicContact CD1-CG1 4Å; I348-W386 HydrophobicContact CD1-CH2 3.86Å; I348-W386 HydrophobicContact CD1-CZ2 3.63Å; I348-W386 HydrophobicContact CG1-CZ2 3.96Å; I348-M389 HydrophobicContact CD1-CE 4.41Å; I348-L390 HydrophobicContact CG1-CD2 3.78Å; I348-L390 HydrophobicContact CG2-CD2 4.25Å
349Q90.9Very high95.7Very high128 Ų12836.4 Ų36.460%0.59818%0.183SC*.THydrogen-bonded Turntrans-76.8-23.4177.4-63.6-179.5-1.400113.5Q347Q347-Q349 PolarHBondContact O-N 3.17Å
350R92.8Very high95.5Very high97 Ų9738 Ų3837%0.36619%0.191SC..THydrogen-bonded Turntrans-110.2-8.4-177.7-61.5-165.9-56.1-72.8-9.2113.7L314 D315 D346 Q347L314-R350 HydrophobicContact CD1-CB 3.85Å; D315-R350 VanDerWaalsContact OD1-CD 3.3Å; D315-R350 WeakPolarHBondContact OD1-CD 3.49Å; D315-R350 IonicContact OD1-NE 2.83Å; D315-R350 PolarHBondContact OD1-NE 3.15Å; D315-R350 IonicContact OD2-NE 3.53Å; D346-R350 PolarHBondContact O-NH1 3.1Å; Q347-R350 VanDerWaalsContact NE2-NH2 3.19Å; Q347-R350 PolarHBondContact O-N 3.46Å
351V95.4Very high95.1Very high0 Ų036.1 Ų36.10%018%0.178CC..EExtended strand (participates in β ladder)trans-82.8136.5178.679.80000109.7L312 T313 L314 V343 Q347 I348 W386L312-V351 HydrophobicContact CB-CG2 3.94Å; L312-V351 HydrophobicContact CD1-CG2 4.37Å; L312-V351 HydrophobicContact CD2-CG2 4.05Å; L312-V351 HydrophobicContact CG-CG2 4.34Å; T313-V351 CarbonylContact O-C 3.55Å; T313-V351 WeakPolarHBondContact O-CA 3.5Å; T313-V351 WeakPolarHBondContact O-CG2 3.12Å; L314-V351 HydrophobicContact CD1-CB 4.45Å; V343-V351 HydrophobicContact CG1-CG1 4.12Å; Q347-V351 WeakPolarHBondContact O-CB 2.95Å; Q347-V351 PolarHBondContact O-N 2.95Å; I348-V351 HydrophobicContact CD1-CG1 4Å; V351-W386 HydrophobicContact CG1-CH2 3.89Å; V351-W386 HydrophobicContact CG1-CZ2 3.84Å
352N95.7Very high94.3Very high4 Ų440.1 Ų40.12%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-111.5122.7167.9-75.6-70.7000108T313 L374 D377 L413T313-N352 PolarHBondContact N-O 3.45Å; T313-N352 PolarHBondContact O-N 3.3Å; T313-N352 VanDerWaalsContact OG1-CB 3.29Å; T313-N352 WeakPolarHBondContact OG1-CB 3.46Å; T313-N352 PolarHBondContact OG1-O 3.35Å; N352-L374 CarbonylContact C-O 3.24Å; N352-L374 VanDerWaalsContact CA-O 3.28Å; N352-L374 WeakPolarHBondContact CA-O 3.15Å; N352-D377 PolarHBondContact ND2-OD2 3.37Å; N352-L413 HydrophobicContact CB-CD2 3.96Å
353L97.4Very high93.5Very high0 Ų045.3 Ų45.30%024%0.235CC..EExtended strand (participates in β ladder)trans-82.1120.1170.5171.561.8000109L276 V287 V310 L312 I355 F373 L374 W386L276-L353 HydrophobicContact CD1-CD2 4.4Å; L276-L353 HydrophobicContact CD2-CD2 3.49Å; L276-L353 VanDerWaalsContact CD2-CD2 3.49Å; V287-L353 HydrophobicContact CG1-CD2 4.29Å; V287-L353 HydrophobicContact CG2-CD1 4.19Å; V287-L353 HydrophobicContact CG2-CD2 3.85Å; V310-L353 HydrophobicContact CG1-CD1 3.68Å; L312-L353 HydrophobicContact CD2-CB 4.11Å; L312-L353 HydrophobicContact CD2-CD1 3.77Å; L353-I355 HydrophobicContact CD1-CG1 4.37Å; L353-I355 HydrophobicContact CD2-CD1 4.26Å; L353-I355 HydrophobicContact CG-CD1 4.47Å; L353-I355 HydrophobicContact CG-CG1 4.21Å; L353-F373 CarbonylContact O-C 3.58Å; L353-F373 WeakPolarHBondContact O-CA 3.25Å; L353-L374 HydrophobicContact CD2-CD1 4.17Å; L353-L374 HydrophobicContact CG-CD1 4.31Å; L353-L374 PolarHBondContact N-O 2.87Å; L353-L374 PolarHBondContact O-N 3.11Å; L353-W386 HydrophobicContact CB-CH2 4.42Å; L353-W386 HydrophobicContact CB-CZ3 3.87Å; L353-W386 HydrophobicContact CD2-CZ3 4.33Å
354V97.3Very high93Very high1 Ų148.5 Ų48.51%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-111.7117.5-179.7179.80000109.1Q311 T313 K371 F373 L413Q311-V354 HydrophobicContact CB-CB 4.37Å; Q311-V354 PolarHBondContact N-O 2.96Å; Q311-V354 WeakPolarHBondContact O-CA 3.27Å; Q311-V354 WeakPolarHBondContact O-CB 3.47Å; Q311-V354 PolarHBondContact O-N 2.81Å; T313-V354 HydrophobicContact CG2-CG2 4.04Å; V354-K371 HydrophobicContact CG1-CD 4.25Å; V354-K371 HydrophobicContact CG1-CG 4.25Å; V354-F373 HydrophobicContact CG2-CB 4.1Å; V354-L413 HydrophobicContact CG2-CD1 3.78Å
355I98.1Very high92.6Very high0 Ų056.7 Ų56.70%028%0.283CS..EExtended strand (participates in β ladder)trans-108.2127.9176.3-63.1176.4000107.4I272 F274 I289 V308 L353 K371 L372 L374I272-I355 HydrophobicContact CD1-CG2 3.9Å; F274-I355 HydrophobicContact CD1-CD1 3.63Å; F274-I355 HydrophobicContact CD2-CD1 3.65Å; F274-I355 HydrophobicContact CE1-CD1 3.6Å; F274-I355 HydrophobicContact CE2-CD1 3.62Å; F274-I355 HydrophobicContact CG-CD1 3.67Å; F274-I355 HydrophobicContact CZ-CD1 3.62Å; I289-I355 HydrophobicContact CD1-CD1 4.23Å; V308-I355 HydrophobicContact CG1-CG2 3.62Å; L353-I355 HydrophobicContact CD1-CG1 4.37Å; L353-I355 HydrophobicContact CD2-CD1 4.26Å; L353-I355 HydrophobicContact CG-CD1 4.47Å; L353-I355 HydrophobicContact CG-CG1 4.21Å; I355-K371 CarbonylContact O-C 3.26Å; I355-K371 WeakPolarHBondContact O-CA 3.33Å; I355-K371 WeakPolarHBondContact O-CG 3.49Å; I355-L372 HydrophobicContact CB-CD1 4.11Å; I355-L372 HydrophobicContact CB-CG 4.22Å; I355-L372 HydrophobicContact CD1-CD1 4.43Å; I355-L372 PolarHBondContact N-O 2.88Å; I355-L372 PolarHBondContact O-N 2.89Å; I355-L372 VanDerWaalsContact O-O 3.09Å; I355-L374 HydrophobicContact CD1-CD1 4.25Å
356S97.4Very high92.6Very high9 Ų954.2 Ų54.26%0.06327%0.27CS..EExtended strand (participates in β ladder)trans-135.3131.8176.651.20000110.8V308 K309 W358 G370V308-S356 CarbonylContact C-O 3.26Å; V308-S356 WeakPolarHBondContact CA-O 3.05Å; K309-S356 PolarHBondContact N-O 3.31Å; K309-S356 PolarHBondContact O-N 3.22Å; K309-S356 PolarHBondContact O-OG 2.98Å; S356-W358 VanDerWaalsContact CB-NE1 3.31Å; S356-W358 PolarHBondContact OG-NE1 3.08Å; S356-G370 CarbonylContact C-O 3.51Å; S356-G370 WeakPolarHBondContact CA-O 3.38Å
357V97.8Very high92.4Very high0 Ų052.1 Ų52.10%026%0.258CS..EExtended strand (participates in β ladder)trans-96.6133.7176.3-171.40000108.2I272 L295 P306 V308 M369 G370 L403I272-V357 HydrophobicContact CD1-CG2 3.84Å; L295-V357 HydrophobicContact CD1-CG1 4.04Å; L295-V357 HydrophobicContact CD2-CG1 4.21Å; P306-V357 HydrophobicContact CB-CG1 4.33Å; V308-V357 HydrophobicContact CG2-CG2 4.25Å; V357-M369 HydrophobicContact CG1-SD 3.79Å; V357-M369 PolarHBondContact O-N 3.47Å; V357-M369 VanDerWaalsContact O-N 3.11Å; V357-G370 PolarHBondContact N-O 3.33Å; V357-G370 PolarHBondContact O-N 2.94Å; V357-L403 HydrophobicContact CB-CD1 4.21Å; V357-L403 HydrophobicContact CG2-CD1 3.82Å; V357-L403 HydrophobicContact CG2-CD2 3.78Å; V357-L403 HydrophobicContact CG2-CG 4.48Å
358W96.7Very high92.3Very high51 Ų5151.9 Ų51.919%0.19326%0.262CS..EExtended strand (participates in β ladder)trans-133148.3-173.7-69.174.5000109.9P306 Y307 K309 S356 N366 D367P306-W358 CarbonylContact C-O 3.59Å; P306-W358 VanDerWaalsContact CA-O 3.3Å; P306-W358 WeakPolarHBondContact CA-O 3.3Å; Y307-W358 HydrophobicContact CD1-CB 3.88Å; Y307-W358 WeakPolarHBondContact CD1-O 3.38Å; Y307-W358 HydrophobicContact CE1-CB 3.25Å; Y307-W358 HydrophobicContact CE1-CG 4.28Å; Y307-W358 HydrophobicContact CE2-CB 4.04Å; Y307-W358 HydrophobicContact CE2-CG 4.38Å; Y307-W358 HydrophobicContact CG-CB 4.47Å; Y307-W358 AromaticContact CZ-CG 3.88Å; Y307-W358 PolarHBondContact N-O 3.31Å; Y307-W358 PolarHBondContact O-N 2.86Å; Y307-W358 WeakPolarHBondContact OH-CB 3.26Å; K309-W358 HydrophobicContact CD-CD2 4.25Å; K309-W358 HydrophobicContact CD-CG 4.21Å; K309-W358 HydrophobicContact CD-CZ2 4.28Å; K309-W358 HydrophobicContact CG-CG 4.46Å; K309-W358 VanDerWaalsContact NZ-CE3 3.31Å; S356-W358 VanDerWaalsContact CB-NE1 3.31Å; S356-W358 PolarHBondContact OG-NE1 3.08Å; W358-N366 HydrophobicContact CE3-CB 4.33Å; W358-D367 CarbonylContact C-O 3.46Å; W358-D367 VanDerWaalsContact CA-O 3.27Å; W358-D367 WeakPolarHBondContact CA-O 3.48Å
359D94.9Very high92.2Very high0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-87.9142.1167.3-151.6-17000110.3M298 S304 D305 N366 D367 M369M298-D359 HydrophobicContact CB-CB 4.29Å; M298-D359 VanDerWaalsContact CB-OD2 3.29Å; M298-D359 WeakPolarHBondContact CB-OD2 3.33Å; M298-D359 HydrophobicContact CG-CB 4.25Å; S304-D359 WeakPolarHBondContact CA-OD2 3.38Å; S304-D359 WeakPolarHBondContact CB-OD2 3.37Å; S304-D359 PolarHBondContact OG-OD2 3.24Å; D305-D359 WeakPolarHBondContact CA-OD1 3.44Å; D305-D359 PolarHBondContact N-OD1 2.56Å; D359-N366 VanDerWaalsContact O-CA 3.29Å; D359-N366 WeakPolarHBondContact O-CA 3.41Å; D359-N366 WeakPolarHBondContact O-CB 3.33Å; D359-D367 HydrophobicContact CB-CB 4.18Å; D359-D367 PolarHBondContact N-O 3.26Å; D359-D367 PolarHBondContact O-N 2.84Å; D359-M369 HydrophobicContact CB-CE 3.49Å; D359-M369 VanDerWaalsContact CB-CE 3.49Å
360H92.9Very high92.3Very high58 Ų5846 Ų4627%0.26923%0.234SC..  trans-105.1103.8176176.2-76.9000110.9D305 Y307 I326D305-H360 HydrophobicContact CB-CB 4.16Å; D305-H360 PolarHBondContact O-N 3.45Å; Y307-H360 HydrophobicContact CD1-CB 3.95Å; Y307-H360 HydrophobicContact CE1-CB 4.02Å; I326-H360 HydrophobicContact CD1-CB 4.06Å; I326-H360 WeakPolarHBondContact CD1-CD2 3.34Å; I326-H360 HydrophobicContact CG1-CB 4.2Å; I326-H360 HydrophobicContact CG2-CB 3.9Å
361D89.9Confident92.4Very high28 Ų2842.4 Ų42.415%0.1522%0.222CC..  trans-90.5123.9171.6-59.2-83.3000111.9M363 S364 N366 D367D361-M363 VanDerWaalsContact C-N 3.33Å; D361-M363 PolarHBondContact O-N 3.41Å; D361-S364 WeakPolarHBondContact CB-OG 3.38Å; D361-N366 WeakPolarHBondContact OD2-CA 3.4Å; D361-D367 PolarHBondContact OD2-N 2.97Å
362A82.1Confident92.5Very high87 Ų8742.5 Ų42.572%0.71922%0.222SC*.SBendtrans-68.8-31.9178.900000113.4
363M80.1Confident92.5Very high190 Ų19043.3 Ų43.394%0.93623%0.226SC*.SBendtrans-116.3-1-172-63.4-62.3-71.200113.2D361D361-M363 VanDerWaalsContact C-N 3.33Å; D361-M363 PolarHBondContact O-N 3.41Å
364S84.8Confident92.5Very high68 Ų6843.3 Ų43.348%0.47623%0.226SC..SBendtrans-132.5-178.2-176.5106.60000109.7D361D361-S364 WeakPolarHBondContact CB-OG 3.38Å
365R88.2Confident92.3Very high212 Ų21243.3 Ų43.380%0.823%0.225SC*.  trans-84125.5174.5175.5-178.5173.2178.9-3.7108.4D367R365-D367 PolarHBondContact O-N 3.28Å
366N90.8Very high92Very high45 Ų4546.2 Ų46.224%0.24125%0.245CC..  trans-43.4123.8174-58.548.5000113.4Y307 W358 D359 D361Y307-N366 WeakPolarHBondContact CE1-ND2 3.16Å; Y307-N366 PolarHBondContact OH-ND2 2.94Å; W358-N366 HydrophobicContact CE3-CB 4.33Å; D359-N366 VanDerWaalsContact O-CA 3.29Å; D359-N366 WeakPolarHBondContact O-CA 3.41Å; D359-N366 WeakPolarHBondContact O-CB 3.33Å; D361-N366 WeakPolarHBondContact OD2-CA 3.4Å
367D89.1Confident91.7Very high65 Ų6550.6 Ų50.635%0.34827%0.268SS..  trans-83.1144.1179.9-77.8-34.1000113.4M298 W358 D359 D361 R365M298-D367 HydrophobicContact CE-CB 3.86Å; W358-D367 CarbonylContact C-O 3.46Å; W358-D367 VanDerWaalsContact CA-O 3.27Å; W358-D367 WeakPolarHBondContact CA-O 3.48Å; D359-D367 HydrophobicContact CB-CB 4.18Å; D359-D367 PolarHBondContact N-O 3.26Å; D359-D367 PolarHBondContact O-N 2.84Å; D361-D367 PolarHBondContact OD2-N 2.97Å; R365-D367 PolarHBondContact O-N 3.28Å
368S91.4Very high91.4Very high43 Ų4350.9 Ų50.930%0.30127%0.27SS..EExtended strand (participates in β ladder)trans-91.1111175.6175.50000108.6
369M91.8Very high91.2Very high7 Ų753.7 Ų53.73%0.03429%0.293CS..EExtended strand (participates in β ladder)trans-76.6-59.2176.7-59.7177.1-16600110.7L295 M298 S304 P306 V357 D359L295-M369 HydrophobicContact CB-SD 4.35Å; L295-M369 HydrophobicContact CD1-SD 4.22Å; M298-M369 HydrophobicContact CG-CG 3.85Å; M298-M369 HydrophobicContact SD-CG 4.43Å; S304-M369 WeakPolarHBondContact OG-CE 3.29Å; P306-M369 HydrophobicContact CB-CE 4Å; V357-M369 HydrophobicContact CG1-SD 3.79Å; V357-M369 PolarHBondContact O-N 3.47Å; V357-M369 VanDerWaalsContact O-N 3.11Å; D359-M369 HydrophobicContact CB-CE 3.49Å; D359-M369 VanDerWaalsContact CB-CE 3.49Å
370G94.1Very high91.2Very high0 Ų056.5 Ų56.50%032%0.321CS..EExtended strand (participates in β ladder)trans-160.2160-167.400000112.6S356 V357 L404S356-G370 CarbonylContact C-O 3.51Å; S356-G370 WeakPolarHBondContact CA-O 3.38Å; V357-G370 PolarHBondContact N-O 3.33Å; V357-G370 PolarHBondContact O-N 2.94Å; G370-L404 CarbonylContact C-O 3.6Å
371K95.4Very high91.3Very high23 Ų2356.4 Ų56.410%0.132%0.323CS..EExtended strand (participates in β ladder)trans-151.3152.4-172.4-171.8173-178.3-172.40110.7V354 I355 L404 A406 V409 N410V354-K371 HydrophobicContact CG1-CD 4.25Å; V354-K371 HydrophobicContact CG1-CG 4.25Å; I355-K371 CarbonylContact O-C 3.26Å; I355-K371 WeakPolarHBondContact O-CA 3.33Å; I355-K371 WeakPolarHBondContact O-CG 3.49Å; K371-L404 PolarHBondContact N-O 2.98Å; K371-L404 CarbonylContact O-C 3.54Å; K371-L404 WeakPolarHBondContact O-CA 3.39Å; K371-L404 WeakPolarHBondContact O-CB 3.28Å; K371-L404 PolarHBondContact O-N 2.75Å; K371-L404 VanDerWaalsContact O-O 3.07Å; K371-A406 HydrophobicContact CD-CB 4.48Å; K371-V409 HydrophobicContact CB-CB 4.43Å; K371-V409 HydrophobicContact CB-CG2 4.15Å; K371-V409 HydrophobicContact CD-CB 4.09Å; K371-V409 HydrophobicContact CD-CG1 3.9Å; K371-V409 HydrophobicContact CG-CB 4.08Å; K371-V409 HydrophobicContact CG-CG1 3.89Å; K371-V409 HydrophobicContact CG-CG2 4.16Å; K371-V409 WeakPolarHBondContact O-CG2 3.26Å; K371-N410 PolarHBondContact NZ-OD1 3.39Å
372L96.2Very high91.6Very high1 Ų156.6 Ų56.61%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-149.6167.8168.562.195000110.1I272 F274 I355 L374 H401 L403I272-L372 HydrophobicContact CG2-CD2 3.57Å; F274-L372 HydrophobicContact CE1-CD1 4.13Å; F274-L372 HydrophobicContact CE1-CD2 4.44Å; F274-L372 HydrophobicContact CZ-CD1 4.1Å; I355-L372 HydrophobicContact CB-CD1 4.11Å; I355-L372 HydrophobicContact CB-CG 4.22Å; I355-L372 HydrophobicContact CD1-CD1 4.43Å; I355-L372 PolarHBondContact N-O 2.88Å; I355-L372 PolarHBondContact O-N 2.89Å; I355-L372 VanDerWaalsContact O-O 3.09Å; L372-L374 HydrophobicContact CD1-CD1 3.38Å; L372-L374 HydrophobicContact CD1-CG 4.23Å; L372-H401 HydrophobicContact CD2-CB 3.58Å; L372-L403 HydrophobicContact CD2-CD2 4.05Å
373F96.4Very high92.3Very high22 Ų2255.8 Ų55.810%0.09631%0.306CS..EExtended strand (participates in β ladder)trans-139.2151.517278.7-78.5000111.1L353 V354 D377 Q382 V409 L413L353-F373 CarbonylContact O-C 3.58Å; L353-F373 WeakPolarHBondContact O-CA 3.25Å; V354-F373 HydrophobicContact CG2-CB 4.1Å; F373-D377 HydrophobicContact CE2-CB 4.5Å; F373-Q382 WeakPolarHBondContact O-CB 3.48Å; F373-Q382 WeakPolarHBondContact O-CG 3.42Å; F373-V409 HydrophobicContact CB-CG1 4.27Å; F373-V409 HydrophobicContact CD1-CG1 3.79Å; F373-V409 HydrophobicContact CG-CG1 4.42Å; F373-L413 HydrophobicContact CB-CD1 4.01Å; F373-L413 HydrophobicContact CB-CD2 4.2Å; F373-L413 HydrophobicContact CB-CG 4.34Å; F373-L413 HydrophobicContact CD1-CD1 4.39Å; F373-L413 HydrophobicContact CD1-CD2 4.28Å; F373-L413 HydrophobicContact CD1-CG 4.04Å; F373-L413 HydrophobicContact CD2-CD2 3.4Å; F373-L413 HydrophobicContact CD2-CG 4.08Å; F373-L413 HydrophobicContact CE1-CG 4.34Å; F373-L413 HydrophobicContact CE2-CD2 3.72Å; F373-L413 HydrophobicContact CE2-CG 4.37Å; F373-L413 HydrophobicContact CG-CD1 4.1Å; F373-L413 HydrophobicContact CG-CD2 3.69Å; F373-L413 HydrophobicContact CG-CG 3.88Å; F373-L413 HydrophobicContact CZ-CD2 4.28Å; F373-L413 HydrophobicContact CZ-CG 4.49Å
374L96.8Very high93.2Very high0 Ų052.8 Ų52.80%029%0.285CS..EExtended strand (participates in β ladder)trans-128.7148.1175.1-53.695.4000108.7F274 L276 N352 L353 I355 L372 Q382 H385 W386F274-L374 HydrophobicContact CE2-CD1 3.85Å; F274-L374 HydrophobicContact CE2-CD2 3.94Å; F274-L374 HydrophobicContact CZ-CD1 3.54Å; F274-L374 HydrophobicContact CZ-CD2 3.78Å; F274-L374 HydrophobicContact CZ-CG 4.29Å; L276-L374 HydrophobicContact CD1-CD2 4.06Å; N352-L374 CarbonylContact C-O 3.24Å; N352-L374 VanDerWaalsContact CA-O 3.28Å; N352-L374 WeakPolarHBondContact CA-O 3.15Å; L353-L374 HydrophobicContact CD2-CD1 4.17Å; L353-L374 HydrophobicContact CG-CD1 4.31Å; L353-L374 PolarHBondContact N-O 2.87Å; L353-L374 PolarHBondContact O-N 3.11Å; I355-L374 HydrophobicContact CD1-CD1 4.25Å; L372-L374 HydrophobicContact CD1-CD1 3.38Å; L372-L374 HydrophobicContact CD1-CG 4.23Å; L374-Q382 HydrophobicContact CD2-CB 4.47Å; L374-Q382 HydrophobicContact CG-CB 4.18Å; L374-H385 HydrophobicContact CD2-CB 3.83Å; L374-W386 HydrophobicContact CB-CD2 4.48Å; L374-W386 HydrophobicContact CB-CE3 3.79Å; L374-W386 HydrophobicContact CB-CZ3 4.45Å
375G94.6Very high93.8Very high0 Ų049.6 Ų49.60%026%0.262CS..SBendtrans158.8177.9-17700000110D377 S378G375-D377 PolarHBondContact O-N 3.17Å; G375-S378 PolarHBondContact N-OG 2.83Å; G375-S378 WeakPolarHBondContact O-CB 3.28Å; G375-S378 PolarHBondContact O-N 3.32Å; G375-S378 VanDerWaalsContact O-N 3.08Å; G375-S378 PolarHBondContact O-OG 3.5Å
376C91.7Very high94.2Very high61 Ų6139.6 Ų39.641%0.41222%0.224SC..THydrogen-bonded Turntrans-63.2-22.3177.2-63.50000113S378C376-S378 VanDerWaalsContact C-N 3.34Å
377D89.9Confident94.5Very high101 Ų10139.3 Ų39.354%0.5423%0.229SC..THydrogen-bonded Turntrans-87-1177.8-54.5-35.1000113.5N352 F373 G375N352-D377 PolarHBondContact ND2-OD2 3.37Å; F373-D377 HydrophobicContact CE2-CB 4.5Å; G375-D377 PolarHBondContact O-N 3.17Å
378S92.9Very high94.9Very high6 Ų638.4 Ų38.44%0.04222%0.223CC..  trans-82.3170.5179.967.50000111.7G375 C376 L383G375-S378 PolarHBondContact N-OG 2.83Å; G375-S378 WeakPolarHBondContact O-CB 3.28Å; G375-S378 PolarHBondContact O-N 3.32Å; G375-S378 VanDerWaalsContact O-N 3.08Å; G375-S378 PolarHBondContact O-OG 3.5Å; C376-S378 VanDerWaalsContact C-N 3.34Å; S378-L383 WeakPolarHBondContact OG-CA 3.25Å; S378-L383 PolarHBondContact OG-N 3.39Å; S378-L383 VanDerWaalsContact OG-N 3.13Å
379T92.4Very high95.2Very high110 Ų11036.3 Ų36.368%0.67521%0.209SC*.  trans-130.8167.6179.955.60000110.5N381 Q382 L383T379-N381 PolarHBondContact O-N 3.12Å; T379-Q382 PolarHBondContact O-N 3.44Å; T379-Q382 PolarHBondContact O-OE1 3.24Å; T379-L383 PolarHBondContact O-N 2.81Å
380G94.1Very high95.4Very high59 Ų5939.1 Ų39.161%0.60822%0.224SC*.Hα-helixtrans57.1-134.6173.500000114.2Q382 L383 R384G380-Q382 VanDerWaalsContact C-N 3.29Å; G380-Q382 PolarHBondContact O-N 3Å; G380-L383 PolarHBondContact O-N 3.48Å; G380-R384 PolarHBondContact O-N 2.89Å; G380-R384 VanDerWaalsContact O-N 3.09Å
381N95.5Very high95.4Very high56 Ų5643.3 Ų43.330%0.29925%0.253SS..Hα-helixtrans-63.9-33.3-176-168.843.6000112.8T379 R384 H385 W400 H401T379-N381 PolarHBondContact O-N 3.12Å; N381-R384 PolarHBondContact O-N 2.88Å; N381-R384 PolarHBondContact OD1-NE 2.88Å; N381-R384 PolarHBondContact OD1-NH2 3.45Å; N381-H385 WeakPolarHBondContact O-CB 3.16Å; N381-H385 PolarHBondContact O-N 3.09Å; N381-W400 PolarHBondContact ND2-O 3.26Å; N381-H401 PolarHBondContact ND2-CE1 3.46Å; N381-H401 PolarHBondContact ND2-ND1 3.02Å
382Q96.6Very high95.3Very high32 Ų3245.1 Ų45.115%0.1526%0.264CS..Hα-helixtrans-65.5-43178.6-64.983.2-5.500111.5F373 L374 T379 G380 W386F373-Q382 WeakPolarHBondContact O-CB 3.48Å; F373-Q382 WeakPolarHBondContact O-CG 3.42Å; L374-Q382 HydrophobicContact CD2-CB 4.47Å; L374-Q382 HydrophobicContact CG-CB 4.18Å; T379-Q382 PolarHBondContact O-N 3.44Å; T379-Q382 PolarHBondContact O-OE1 3.24Å; G380-Q382 VanDerWaalsContact C-N 3.29Å; G380-Q382 PolarHBondContact O-N 3Å; Q382-W386 PolarHBondContact O-N 3.13Å; Q382-W386 VanDerWaalsContact O-N 3.16Å
383L96.5Very high95Very high71 Ų7147.9 Ų47.937%0.37228%0.282SS..Hα-helixtrans-66.4-43.5176-179.461.1000111.1S378 T379 G380 H385 W386 A387S378-L383 WeakPolarHBondContact OG-CA 3.25Å; S378-L383 PolarHBondContact OG-N 3.39Å; S378-L383 VanDerWaalsContact OG-N 3.13Å; T379-L383 PolarHBondContact O-N 2.81Å; G380-L383 PolarHBondContact O-N 3.48Å; L383-H385 PolarHBondContact O-N 2.86Å; L383-W386 PolarHBondContact O-N 3.28Å; L383-A387 WeakPolarHBondContact O-CB 3.36Å; L383-A387 PolarHBondContact O-N 3.33Å
384R97.4Very high94.7Very high127 Ų12755.3 Ų55.348%0.47931%0.309SS..Hα-helixtrans-58.1-48.3177.5-170.8179.567.789.60.6111.4G380 N381 W386 A387 D388G380-R384 PolarHBondContact O-N 2.89Å; G380-R384 VanDerWaalsContact O-N 3.09Å; N381-R384 PolarHBondContact O-N 2.88Å; N381-R384 PolarHBondContact OD1-NE 2.88Å; N381-R384 PolarHBondContact OD1-NH2 3.45Å; R384-W386 VanDerWaalsContact C-N 3.29Å; R384-W386 PolarHBondContact O-N 2.84Å; R384-A387 PolarHBondContact O-N 3.19Å; R384-D388 IonicContact NH1-OD2 3.22Å; R384-D388 WeakPolarHBondContact O-CB 3.42Å; R384-D388 PolarHBondContact O-N 2.89Å
385H98.1Very high94.5Very high0 Ų063.6 Ų63.60%034%0.341CS..Hα-helixtrans-59.1-41.4177.3-165.6-170.5000112.5F274 L374 N381 L383 M389 V397 Q399 H401F274-H385 AromaticContact CD2-CE1 3.86Å; F274-H385 AromaticContact CE2-CE1 3.48Å; F274-H385 VanDerWaalsContact CE2-CE1 3.48Å; F274-H385 WeakPolarHBondContact CE2-CE1 3.33Å; F274-H385 AromaticContact CE2-ND1 3.51Å; F274-H385 AromaticContact CZ-ND1 3.74Å; F274-H385 PolarHBondContact O-CE1 3.49Å; L374-H385 HydrophobicContact CD2-CB 3.83Å; N381-H385 WeakPolarHBondContact O-CB 3.16Å; N381-H385 PolarHBondContact O-N 3.09Å; L383-H385 PolarHBondContact O-N 2.86Å; H385-M389 PolarHBondContact O-N 3.45Å; H385-V397 PolarHBondContact NE2-O 2.8Å; H385-Q399 VanDerWaalsContact CA-OE1 3.31Å; H385-Q399 VanDerWaalsContact CG-OE1 3.3Å; H385-H401 AromaticContact CE1-NE2 3.82Å; H385-H401 AromaticContact CG-NE2 3.57Å; H385-H401 AromaticContact ND1-CD2 3.83Å; H385-H401 AromaticContact ND1-CE1 3.75Å; H385-H401 AromaticContact ND1-NE2 2.92Å; H385-H401 PolarHBondContact ND1-NE2 3.34Å
386W97.6Very high94.6Very high2 Ų268 Ų681%0.00837%0.369CS..Hα-helixtrans-65.9-43.7177.5-168.1-101.1000112L276 L285 I348 V351 L353 L374 Q382 L383 R384 M389 L390L276-W386 HydrophobicContact CD1-CE3 4.02Å; L276-W386 HydrophobicContact CD1-CZ3 4.39Å; L285-W386 HydrophobicContact CD2-CH2 4.01Å; L285-W386 HydrophobicContact CD2-CZ3 4.39Å; I348-W386 HydrophobicContact CD1-CH2 3.86Å; I348-W386 HydrophobicContact CD1-CZ2 3.63Å; I348-W386 HydrophobicContact CG1-CZ2 3.96Å; V351-W386 HydrophobicContact CG1-CH2 3.89Å; V351-W386 HydrophobicContact CG1-CZ2 3.84Å; L353-W386 HydrophobicContact CB-CH2 4.42Å; L353-W386 HydrophobicContact CB-CZ3 3.87Å; L353-W386 HydrophobicContact CD2-CZ3 4.33Å; L374-W386 HydrophobicContact CB-CD2 4.48Å; L374-W386 HydrophobicContact CB-CE3 3.79Å; L374-W386 HydrophobicContact CB-CZ3 4.45Å; Q382-W386 PolarHBondContact O-N 3.13Å; Q382-W386 VanDerWaalsContact O-N 3.16Å; L383-W386 PolarHBondContact O-N 3.28Å; R384-W386 VanDerWaalsContact C-N 3.29Å; R384-W386 PolarHBondContact O-N 2.84Å; W386-M389 HydrophobicContact CD2-CE 3.84Å; W386-M389 HydrophobicContact CE3-CE 3.88Å; W386-M389 HydrophobicContact CE3-SD 4.48Å; W386-M389 HydrophobicContact CG-CE 4.49Å; W386-M389 HydrophobicContact CH2-CE 4.05Å; W386-M389 HydrophobicContact CZ2-CE 4.01Å; W386-M389 HydrophobicContact CZ3-CE 3.98Å; W386-M389 HydrophobicContact CZ3-SD 4.43Å; W386-M389 WeakPolarHBondContact O-CB 3.32Å; W386-M389 PolarHBondContact O-N 3.29Å; W386-L390 WeakPolarHBondContact O-CG 3.27Å; W386-L390 PolarHBondContact O-N 2.84Å; W386-L390 VanDerWaalsContact O-N 3.13Å
387A96.9Very high94.9Very high40 Ų4066.2 Ų66.233%0.33136%0.356SS..Hα-helixtrans-65.3-41.2176.600000112.1L383 R384 M389 L390 S391L383-A387 WeakPolarHBondContact O-CB 3.36Å; L383-A387 PolarHBondContact O-N 3.33Å; R384-A387 PolarHBondContact O-N 3.19Å; A387-M389 VanDerWaalsContact C-N 3.33Å; A387-M389 PolarHBondContact O-N 2.92Å; A387-L390 PolarHBondContact O-N 2.86Å; A387-S391 WeakPolarHBondContact O-CB 3.43Å; A387-S391 PolarHBondContact O-N 3.22Å; A387-S391 PolarHBondContact O-OG 3.35Å
388D97.1Very high95.3Very high45 Ų4564.2 Ų64.224%0.24135%0.354CS..Hα-helixtrans-60.6-43.2176.2-70-20.3000110.7R384 S391 N392 V397 Q399R384-D388 IonicContact NH1-OD2 3.22Å; R384-D388 WeakPolarHBondContact O-CB 3.42Å; R384-D388 PolarHBondContact O-N 2.89Å; D388-S391 PolarHBondContact O-N 3.27Å; D388-N392 WeakPolarHBondContact O-CB 3.47Å; D388-N392 PolarHBondContact O-N 2.88Å; D388-N392 VanDerWaalsContact O-N 3.08Å; D388-N392 PolarHBondContact O-ND2 2.63Å; D388-V397 HydrophobicContact CB-CG1 4.05Å; D388-V397 HydrophobicContact CB-CG2 4.44Å; D388-Q399 PolarHBondContact OD2-NE2 2.93Å
389M97.4Very high95.6Very high0 Ų065 Ų650%036%0.357CS..Hα-helixtrans-59.8-45.5174.8175.5-157.86700111.9L276 L285 I348 H385 W386 A387 N392L276-M389 HydrophobicContact CB-CB 4.01Å; L276-M389 HydrophobicContact CB-CG 3.77Å; L276-M389 HydrophobicContact CB-SD 3.61Å; L276-M389 HydrophobicContact CD1-SD 4.13Å; L276-M389 HydrophobicContact CG-SD 4.42Å; L285-M389 HydrophobicContact CD1-CE 4.24Å; L285-M389 HydrophobicContact CD1-SD 3.36Å; L285-M389 WeakPolarHBondContact CD1-SD 3.31Å; I348-M389 HydrophobicContact CD1-CE 4.41Å; H385-M389 PolarHBondContact O-N 3.45Å; W386-M389 HydrophobicContact CD2-CE 3.84Å; W386-M389 HydrophobicContact CE3-CE 3.88Å; W386-M389 HydrophobicContact CE3-SD 4.48Å; W386-M389 HydrophobicContact CG-CE 4.49Å; W386-M389 HydrophobicContact CH2-CE 4.05Å; W386-M389 HydrophobicContact CZ2-CE 4.01Å; W386-M389 HydrophobicContact CZ3-CE 3.98Å; W386-M389 HydrophobicContact CZ3-SD 4.43Å; W386-M389 WeakPolarHBondContact O-CB 3.32Å; W386-M389 PolarHBondContact O-N 3.29Å; A387-M389 VanDerWaalsContact C-N 3.33Å; A387-M389 PolarHBondContact O-N 2.92Å; M389-N392 CarbonylContact O-C 3.55Å; M389-N392 PolarHBondContact O-N 3.43Å
390L95.3Very high95.8Very high65 Ų6563.9 Ų63.934%0.3434%0.34SS..Hα-helixtrans-69.1-35.2-179.1-68.5175.2000112.4Y278 I348 W386 A387 N392Y278-L390 HydrophobicContact CD1-CD2 4.1Å; I348-L390 HydrophobicContact CG1-CD2 3.78Å; I348-L390 HydrophobicContact CG2-CD2 4.25Å; W386-L390 WeakPolarHBondContact O-CG 3.27Å; W386-L390 PolarHBondContact O-N 2.84Å; W386-L390 VanDerWaalsContact O-N 3.13Å; A387-L390 PolarHBondContact O-N 2.86Å; L390-N392 VanDerWaalsContact C-N 3.32Å
391S94.8Very high96Very high89 Ų8961.1 Ų61.162%0.62231%0.312SS*.Hα-helixtrans-76.5-20-179.8-54.20000112.9A387 D388 P393A387-S391 WeakPolarHBondContact O-CB 3.43Å; A387-S391 PolarHBondContact O-N 3.22Å; A387-S391 PolarHBondContact O-OG 3.35Å; D388-S391 PolarHBondContact O-N 3.27Å; S391-P393 VanDerWaalsContact C-CD 3.41Å; S391-P393 VanDerWaalsContact O-CD 3.25Å; S391-P393 WeakPolarHBondContact O-CD 3.45Å
392N93.1Very high96Very high60 Ų6061.5 Ų61.532%0.32132%0.319SS..SBendtrans-11866.7-179.2-65.4-81.5000111.5D388 M389 L390 R394 R395 V397D388-N392 WeakPolarHBondContact O-CB 3.47Å; D388-N392 PolarHBondContact O-N 2.88Å; D388-N392 VanDerWaalsContact O-N 3.08Å; D388-N392 PolarHBondContact O-ND2 2.63Å; M389-N392 CarbonylContact O-C 3.55Å; M389-N392 PolarHBondContact O-N 3.43Å; L390-N392 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.27Å; N392-R395 HydrophobicContact CB-CB 4.21Å; N392-R395 PolarHBondContact O-N 3.39Å; N392-R395 VanDerWaalsContact O-N 3.13Å; N392-V397 HydrophobicContact CB-CG2 4.4Å
393P89.4Confident96Very high59 Ų5960.2 Ų60.238%0.38331%0.313SS..THydrogen-bonded Turntrans-59139.7-177.725.8-34.4000111S391 R395S391-P393 VanDerWaalsContact C-CD 3.41Å; S391-P393 VanDerWaalsContact O-CD 3.25Å; S391-P393 WeakPolarHBondContact O-CD 3.45Å; P393-R395 PolarHBondContact O-N 3.15Å
394R90.4Very high95.8Very high178 Ų17860 Ų6067%0.67231%0.312SS*.THydrogen-bonded Turntrans68.4-0.4-177-56.9172.4-89.7-174.6-8.5116C277 Y278 V279 N392C277-R394 VanDerWaalsContact SG-C 3.51Å; Y278-R394 PolarHBondContact O-N 2.89Å; Y278-R394 VanDerWaalsContact O-N 3.14Å; V279-R394 HydrophobicContact CB-CG 4.49Å; V279-R394 HydrophobicContact CG1-CG 4.03Å; V279-R394 HydrophobicContact CG2-CG 3.92Å; N392-R394 PolarHBondContact O-N 3.27Å
395R93.9Very high95.5Very high174 Ų17455.5 Ų55.566%0.65730%0.3SS*.SBendtrans-105.2123.5174.3-67.9-175.6175.3174.1-1.7109.9N392 P393 V397N392-R395 HydrophobicContact CB-CB 4.21Å; N392-R395 PolarHBondContact O-N 3.39Å; N392-R395 VanDerWaalsContact O-N 3.13Å; P393-R395 PolarHBondContact O-N 3.15Å; R395-V397 PolarHBondContact O-N 2.94Å
396P96.6Very high95.1Very high92 Ų9256.8 Ų56.860%0.59731%0.31SS*.  trans-67.4125.6171.928-31.6000109.5L276 C277L276-P396 WeakPolarHBondContact O-CA 3.29Å; C277-P396 HydrophobicContact CB-CB 4.31Å
397V97.7Very high94.6Very high24 Ų2462.9 Ų62.915%0.14534%0.339CS..EExtended strand (participates in β ladder)trans-103.8122.3172-178.20000106.9S275 L276 H385 D388 N392 R395 Q399S275-V397 CarbonylContact C-O 3.56Å; S275-V397 WeakPolarHBondContact CA-O 3.38Å; S275-V397 WeakPolarHBondContact CB-O 3.39Å; L276-V397 PolarHBondContact N-O 3.47Å; L276-V397 PolarHBondContact O-N 2.91Å; H385-V397 PolarHBondContact NE2-O 2.8Å; D388-V397 HydrophobicContact CB-CG1 4.05Å; D388-V397 HydrophobicContact CB-CG2 4.44Å; N392-V397 HydrophobicContact CB-CG2 4.4Å; R395-V397 PolarHBondContact O-N 2.94Å; V397-Q399 HydrophobicContact CG1-CG 4.25Å
398A97.9Very high94.2Very high59 Ų5962.4 Ų62.449%0.48833%0.33SS..EExtended strand (participates in β ladder)trans-108.4132.1177.900000110.4F274 L290F274-A398 WeakPolarHBondContact O-CA 3.33Å; L290-A398 HydrophobicContact CD1-CB 3.99Å
399Q98.1Very high93.9Very high24 Ų2460.3 Ų60.311%0.11232%0.319CS..EExtended strand (participates in β ladder)trans-145.5148.6178.4-64.7-173.8-7.500111.5F274 H385 D388 V397 H401F274-Q399 PolarHBondContact N-O 2.99Å; F274-Q399 PolarHBondContact O-N 3.33Å; F274-Q399 VanDerWaalsContact O-N 3.16Å; H385-Q399 VanDerWaalsContact CA-OE1 3.31Å; H385-Q399 VanDerWaalsContact CG-OE1 3.3Å; D388-Q399 PolarHBondContact OD2-NE2 2.93Å; V397-Q399 HydrophobicContact CG1-CG 4.25Å; Q399-H401 PolarHBondContact O-CD2 3.26Å
400W98.3Very high93.4Very high85 Ų8563.1 Ų63.132%0.32233%0.333SS..EExtended strand (participates in β ladder)trans-79.5142.7169.1-74.595.4000110.9E271 C273 E291 K293 N381E271-W400 HydrophobicContact CB-CE3 3.82Å; E271-W400 HydrophobicContact CB-CZ3 4.16Å; C273-W400 HydrophobicContact CB-CD2 3.66Å; C273-W400 HydrophobicContact CB-CE3 3.73Å; C273-W400 HydrophobicContact CB-CG 4.29Å; C273-W400 HydrophobicContact CB-CH2 3.9Å; C273-W400 HydrophobicContact CB-CZ2 3.83Å; C273-W400 HydrophobicContact CB-CZ3 3.84Å; E291-W400 HydrophobicContact CG-CH2 3.73Å; E291-W400 HydrophobicContact CG-CZ2 4.05Å; E291-W400 VanDerWaalsContact OE1-CZ2 3.27Å; E291-W400 WeakPolarHBondContact OE1-CZ2 3.49Å; K293-W400 HydrophobicContact CB-CH2 4.21Å; K293-W400 HydrophobicContact CB-CZ3 4.29Å; K293-W400 HydrophobicContact CD-CE3 4.42Å; K293-W400 HydrophobicContact CD-CH2 3.67Å; K293-W400 HydrophobicContact CD-CZ2 4.25Å; K293-W400 HydrophobicContact CD-CZ3 3.78Å; K293-W400 HydrophobicContact CG-CE3 4.43Å; K293-W400 HydrophobicContact CG-CH2 3.8Å; K293-W400 HydrophobicContact CG-CZ3 3.59Å; N381-W400 PolarHBondContact ND2-O 3.26Å
401H97.8Very high93Very high1 Ų163 Ų631%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-137.6131.2174.4-66.5-93.8000110.5E271 I272 F274 L372 N381 H385 Q399E271-H401 WeakPolarHBondContact CA-O 3.28Å; I272-H401 PolarHBondContact N-O 2.9Å; I272-H401 PolarHBondContact O-N 3.34Å; F274-H401 HydrophobicContact CE1-CB 4.21Å; F274-H401 AromaticContact CE1-CD2 3.35Å; F274-H401 WeakPolarHBondContact CE1-CD2 3.47Å; F274-H401 AromaticContact CE1-CG 3.88Å; F274-H401 AromaticContact CZ-CD2 3.41Å; F274-H401 VanDerWaalsContact CZ-CD2 3.41Å; F274-H401 WeakPolarHBondContact CZ-CD2 3.39Å; F274-H401 AromaticContact CZ-NE2 3.78Å; L372-H401 HydrophobicContact CD2-CB 3.58Å; N381-H401 PolarHBondContact ND2-CE1 3.46Å; N381-H401 PolarHBondContact ND2-ND1 3.02Å; H385-H401 AromaticContact CE1-NE2 3.82Å; H385-H401 AromaticContact CG-NE2 3.57Å; H385-H401 AromaticContact ND1-CD2 3.83Å; H385-H401 AromaticContact ND1-CE1 3.75Å; H385-H401 AromaticContact ND1-NE2 2.92Å; H385-H401 PolarHBondContact ND1-NE2 3.34Å; Q399-H401 PolarHBondContact O-CD2 3.26Å
402S95.4Very high92.5Very high64 Ų6462.8 Ų62.845%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-72.9138171.7-38.50000110.4E271E271-S402 PolarHBondContact OE1-OG 3.23Å; E271-S402 VanDerWaalsContact OE1-OG 3.07Å
403L95.6Very high92Very high6 Ų660.4 Ų60.43%0.03133%0.328CS..  trans-78.3138.3-178.7-69.8165.1000110.9L269 G270 I272 L295 V357 L372L269-L403 HydrophobicContact CB-CB 3.8Å; L269-L403 VanDerWaalsContact O-CD1 3.3Å; L269-L403 WeakPolarHBondContact O-CD1 3.48Å; G270-L403 VanDerWaalsContact O-CB 3.3Å; G270-L403 WeakPolarHBondContact O-CB 3.43Å; G270-L403 WeakPolarHBondContact O-CG 3.3Å; G270-L403 PolarHBondContact O-N 3.35Å; I272-L403 HydrophobicContact CG2-CD2 3.95Å; I272-L403 HydrophobicContact CG2-CG 4.38Å; L295-L403 HydrophobicContact CD2-CD1 3.61Å; V357-L403 HydrophobicContact CB-CD1 4.21Å; V357-L403 HydrophobicContact CG2-CD1 3.82Å; V357-L403 HydrophobicContact CG2-CD2 3.78Å; V357-L403 HydrophobicContact CG2-CG 4.48Å; L372-L403 HydrophobicContact CD2-CD2 4.05Å
404L93.2Very high91.1Very high67 Ų6759.6 Ų59.635%0.35133%0.33SS..BIsolated β-bridgetrans-107161.4174.6-59.4177.3000110.4G370 K371 Q408 V409G370-L404 CarbonylContact C-O 3.6Å; K371-L404 PolarHBondContact N-O 2.98Å; K371-L404 CarbonylContact O-C 3.54Å; K371-L404 WeakPolarHBondContact O-CA 3.39Å; K371-L404 WeakPolarHBondContact O-CB 3.28Å; K371-L404 PolarHBondContact O-N 2.75Å; K371-L404 VanDerWaalsContact O-O 3.07Å; L404-Q408 HydrophobicContact CB-CB 4.39Å; L404-V409 HydrophobicContact CB-CG2 3.88Å; L404-V409 HydrophobicContact CD1-CG2 4.35Å
405S90.8Very high89.7Confident31 Ų3152.6 Ų52.622%0.21731%0.306CS..  trans-62.7148.1174.568.70000110.6E407 Q408 V409S405-E407 PolarHBondContact O-N 3.49Å; S405-E407 VanDerWaalsContact O-N 3.16Å; S405-Q408 PolarHBondContact O-N 2.97Å; S405-Q408 WeakPolarHBondContact OG-CB 3.45Å; S405-Q408 VanDerWaalsContact OG-CD 3.23Å; S405-Q408 WeakPolarHBondContact OG-CG 3.47Å; S405-Q408 PolarHBondContact OG-N 2.85Å; S405-Q408 PolarHBondContact OG-OE1 3.42Å; S405-V409 PolarHBondContact O-N 2.86Å
406A89.7Confident87.3Confident27 Ų2753.7 Ų53.722%0.22332%0.315CS..Hα-helixtrans-58.1-32.3176.700000111.9K371 N410K371-A406 HydrophobicContact CD-CB 4.48Å; A406-N410 WeakPolarHBondContact O-CB 3.41Å; A406-N410 PolarHBondContact O-N 3.36Å; A406-N410 PolarHBondContact O-ND2 3.35Å
407E87.6Confident84.9Confident130 Ų13059.7 Ų59.761%0.60733%0.326SS*.Hα-helixtrans-66.6-47.1177.5-60.8-166.9162.200112.3F264 S405 V409 N410 A411F264-E407 HydrophobicContact CE1-CB 4.28Å; S405-E407 PolarHBondContact O-N 3.49Å; S405-E407 VanDerWaalsContact O-N 3.16Å; E407-V409 PolarHBondContact O-N 3.42Å; E407-N410 PolarHBondContact O-N 2.92Å; E407-A411 VanDerWaalsContact O-CB 3.28Å; E407-A411 WeakPolarHBondContact O-CB 3Å; E407-A411 PolarHBondContact O-N 3.37Å
408Q89Confident82.1Confident31 Ų3167.6 Ų67.615%0.14536%0.358CS..Hα-helixtrans-54.7-50.5174.9-79.8162.4-3700111.4F264 L404 S405 A411 S412F264-Q408 HydrophobicContact CB-CG 3.4Å; F264-Q408 HydrophobicContact CD1-CB 4.3Å; F264-Q408 HydrophobicContact CD1-CG 3.35Å; F264-Q408 HydrophobicContact CD2-CG 3.5Å; F264-Q408 HydrophobicContact CE1-CB 4.39Å; F264-Q408 HydrophobicContact CE1-CG 3.87Å; F264-Q408 HydrophobicContact CE2-CG 4.01Å; F264-Q408 HydrophobicContact CG-CB 4.37Å; F264-Q408 HydrophobicContact CG-CG 3.12Å; F264-Q408 HydrophobicContact CZ-CG 4.18Å; L404-Q408 HydrophobicContact CB-CB 4.39Å; S405-Q408 PolarHBondContact O-N 2.97Å; S405-Q408 WeakPolarHBondContact OG-CB 3.45Å; S405-Q408 VanDerWaalsContact OG-CD 3.23Å; S405-Q408 WeakPolarHBondContact OG-CG 3.47Å; S405-Q408 PolarHBondContact OG-N 2.85Å; S405-Q408 PolarHBondContact OG-OE1 3.42Å; Q408-A411 PolarHBondContact O-N 3.05Å; Q408-S412 PolarHBondContact O-N 2.89Å; Q408-S412 PolarHBondContact O-OG 3.38Å
409V89.6Confident79.2Confident1 Ų171.4 Ų71.41%0.00637%0.369CS..Hα-helixtrans-68.2-42.7-177.4174.40000111.7K371 F373 L404 S405 E407 A411 S412 L413K371-V409 HydrophobicContact CB-CB 4.43Å; K371-V409 HydrophobicContact CB-CG2 4.15Å; K371-V409 HydrophobicContact CD-CB 4.09Å; K371-V409 HydrophobicContact CD-CG1 3.9Å; K371-V409 HydrophobicContact CG-CB 4.08Å; K371-V409 HydrophobicContact CG-CG1 3.89Å; K371-V409 HydrophobicContact CG-CG2 4.16Å; K371-V409 WeakPolarHBondContact O-CG2 3.26Å; F373-V409 HydrophobicContact CB-CG1 4.27Å; F373-V409 HydrophobicContact CD1-CG1 3.79Å; F373-V409 HydrophobicContact CG-CG1 4.42Å; L404-V409 HydrophobicContact CB-CG2 3.88Å; L404-V409 HydrophobicContact CD1-CG2 4.35Å; S405-V409 PolarHBondContact O-N 2.86Å; E407-V409 PolarHBondContact O-N 3.42Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 3.01Å; V409-S412 PolarHBondContact O-N 3.2Å; V409-L413 HydrophobicContact CG1-CD1 3.79Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 PolarHBondContact O-N 3.39Å
410N88.1Confident76.1Confident58 Ų5875.7 Ų75.731%0.3140%0.399SS..Hα-helixtrans-67.6-35.5-179.8-69.2-28.4000112.2K371 A406 E407 G414 L415K371-N410 PolarHBondContact NZ-OD1 3.39Å; A406-N410 WeakPolarHBondContact O-CB 3.41Å; A406-N410 PolarHBondContact O-N 3.36Å; A406-N410 PolarHBondContact O-ND2 3.35Å; E407-N410 PolarHBondContact O-N 2.92Å; N410-G414 PolarHBondContact O-N 3.03Å; N410-L415 PolarHBondContact O-N 3.21Å
411A85.9Confident73Confident63 Ų6377.5 Ų77.552%0.52142%0.42SS..Hα-helixtrans-63.5-44.1173.400000111F264 E407 Q408 V409 G414F264-A411 HydrophobicContact CZ-CB 3.91Å; E407-A411 VanDerWaalsContact O-CB 3.28Å; E407-A411 WeakPolarHBondContact O-CB 3Å; E407-A411 PolarHBondContact O-N 3.37Å; Q408-A411 PolarHBondContact O-N 3.05Å; V409-A411 VanDerWaalsContact C-N 3.33Å; V409-A411 PolarHBondContact O-N 3.01Å; A411-G414 PolarHBondContact O-N 3.47Å
412S85.2Confident70Confident84 Ų8482.9 Ų82.959%0.58745%0.454SS*.Hα-helixtrans-64.8-44.2179.2-54.90000112.5Q408 V409 G414Q408-S412 PolarHBondContact O-N 2.89Å; Q408-S412 PolarHBondContact O-OG 3.38Å; V409-S412 PolarHBondContact O-N 3.2Å; S412-G414 PolarHBondContact O-N 3.02Å
413L81.3Confident67.2Low11 Ų1187.3 Ų87.36%0.05847%0.473CS..THydrogen-bonded Turntrans-72.5-9.1178.1-73.6169.4000113.9N352 V354 F373 V409 L415N352-L413 HydrophobicContact CB-CD2 3.96Å; V354-L413 HydrophobicContact CG2-CD1 3.78Å; F373-L413 HydrophobicContact CB-CD1 4.01Å; F373-L413 HydrophobicContact CB-CD2 4.2Å; F373-L413 HydrophobicContact CB-CG 4.34Å; F373-L413 HydrophobicContact CD1-CD1 4.39Å; F373-L413 HydrophobicContact CD1-CD2 4.28Å; F373-L413 HydrophobicContact CD1-CG 4.04Å; F373-L413 HydrophobicContact CD2-CD2 3.4Å; F373-L413 HydrophobicContact CD2-CG 4.08Å; F373-L413 HydrophobicContact CE1-CG 4.34Å; F373-L413 HydrophobicContact CE2-CD2 3.72Å; F373-L413 HydrophobicContact CE2-CG 4.37Å; F373-L413 HydrophobicContact CG-CD1 4.1Å; F373-L413 HydrophobicContact CG-CD2 3.69Å; F373-L413 HydrophobicContact CG-CG 3.88Å; F373-L413 HydrophobicContact CZ-CD2 4.28Å; F373-L413 HydrophobicContact CZ-CG 4.49Å; V409-L413 HydrophobicContact CG1-CD1 3.79Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 PolarHBondContact O-N 3.39Å; L413-L415 HydrophobicContact CB-CD1 4.01Å; L413-L415 HydrophobicContact CB-CG 3.77Å; L413-L415 HydrophobicContact CD1-CD1 3.75Å; L413-L415 HydrophobicContact CD1-CG 4.39Å; L413-L415 PolarHBondContact O-N 3.34Å; L413-L415 VanDerWaalsContact O-N 3.14Å
414G70.9Confident64.3Low42 Ų4296.6 Ų96.643%0.43351%0.513SS..THydrogen-bonded Turntrans5826.5-174.200000113.2N410 A411 S412 K416N410-G414 PolarHBondContact O-N 3.03Å; A411-G414 PolarHBondContact O-N 3.47Å; S412-G414 PolarHBondContact O-N 3.02Å; G414-K416 PolarHBondContact O-N 3.2Å
415L60.5Low61.6Low31 Ų31100 Ų10016%0.16254%0.537CS..  trans-66.5110.2179.9-73.4170.2000108.2K316 N410 L413 R417K316-L415 VanDerWaalsContact O-CD2 3.29Å; K316-L415 WeakPolarHBondContact O-CD2 3.45Å; N410-L415 PolarHBondContact O-N 3.21Å; L413-L415 HydrophobicContact CB-CD1 4.01Å; L413-L415 HydrophobicContact CB-CG 3.77Å; L413-L415 HydrophobicContact CD1-CD1 3.75Å; L413-L415 HydrophobicContact CD1-CG 4.39Å; L413-L415 PolarHBondContact O-N 3.34Å; L413-L415 VanDerWaalsContact O-N 3.14Å; L415-R417 PolarHBondContact O-N 2.83Å; L415-R417 VanDerWaalsContact O-N 3.11Å
416K45.2Very low59Low197 Ų197107.3 Ų107.386%0.85757%0.565SS**  trans-51.8122.8174.8-69.3-171.1178.7-1750108.6G414 K418G414-K416 PolarHBondContact O-N 3.2Å; K416-K418 PolarHBondContact O-N 3.25Å; K416-K418 VanDerWaalsContact O-N 3.09Å
417R44.7Very low56.3Low218 Ų218115.2 Ų115.282%0.82360%0.597SS**  trans-50.8121.4168.2-70.7-178.6175.7174.9-3106.4L415 I419L415-R417 PolarHBondContact O-N 2.83Å; L415-R417 VanDerWaalsContact O-N 3.11Å; R417-I419 VanDerWaalsContact C-N 3.31Å; R417-I419 PolarHBondContact O-N 3.02Å
418K39Very low53.8Low189 Ų189116.1 Ų116.182%0.82261%0.606SS**  trans-61.7102.5168.9-81.9-168.8175.8-169.60105.9K416 P420K416-K418 PolarHBondContact O-N 3.25Å; K416-K418 VanDerWaalsContact O-N 3.09Å; K418-P420 WeakPolarHBondContact O-CD 3.33Å
419I36.6Very low51.6Low139 Ų139124.6 Ų124.671%0.71364%0.642SS**  trans-58.6125.6157.3-60.8170.8000104.3R417 V421R417-I419 VanDerWaalsContact C-N 3.31Å; R417-I419 PolarHBondContact O-N 3.02Å; I419-V421 PolarHBondContact O-N 3.19Å
420P33.2Very low49.2Very low115 Ų115132 Ų13275%0.74768%0.681SS**  trans-56.8108.5170.1-18.130.1000106.7K418 P422K418-P420 WeakPolarHBondContact O-CD 3.33Å; P420-P422 WeakPolarHBondContact O-CD 3.2Å
421V34.8Very low46.9Very low123 Ų123137.3 Ų137.375%0.74571%0.708SS**  trans-70.2122.1170.1-174.70000104.8I419 N423I419-V421 PolarHBondContact O-N 3.19Å; V421-N423 PolarHBondContact O-N 2.83Å
422P34.4Very low44.8Very low113 Ų113144.2 Ų144.273%0.73473%0.727SS**  trans-53.3134.7170-20.431.5000108.2P420 K424P420-P422 WeakPolarHBondContact O-CD 3.2Å; P422-K424 PolarHBondContact O-N 3.13Å
423N36.3Very low43Very low158 Ų158148.9 Ų148.985%0.84574%0.736SS**  trans-40.8133.9-175.7-83.6-28000112.1V421 V425V421-N423 PolarHBondContact O-N 2.83Å; N423-V425 PolarHBondContact O-N 3.02Å
424K35.1Very low41.2Very low200 Ų200156.7 Ų156.787%0.8777%0.772SS**  trans-41.8115.2171.9-72.7-177.8173.4-173.10109.8P422 K426P422-K424 PolarHBondContact O-N 3.13Å; K424-K426 PolarHBondContact O-N 3.11Å
425V35.7Very low39.6Very low140 Ų140165.4 Ų165.485%0.84880%0.799SS**  trans-55.8124.1159.8175.40000106.1N423 E427N423-V425 PolarHBondContact O-N 3.02Å; V425-E427 PolarHBondContact O-N 3.35Å
426K36Very low38.6Very low184 Ų184177.1 Ų177.180%0.885%0.848SS**  trans-51.3122.8174.3-72.5175.7176.7176.80108.2K424 N428K424-K426 PolarHBondContact O-N 3.11Å; K426-N428 PolarHBondContact O-N 2.7Å
427E34Very low38.2Very low193 Ų193176.2 Ų176.290%0.90285%0.848SS**  trans-54.3109.1167-116.4171.4161.700108.4V425 K429V425-E427 PolarHBondContact O-N 3.35Å; E427-K429 PolarHBondContact O-N 2.88Å; E427-K429 VanDerWaalsContact O-N 3.13Å
428N34.5Very low37.9Very low149 Ų149173.9 Ų173.980%0.79785%0.849SS**  trans-68.1107.6168.9-90.9-21.3000108.2K426 L430K426-N428 PolarHBondContact O-N 2.7Å; N428-L430 PolarHBondContact O-N 3.03Å
429K42Very low37.8Very low209 Ų209173.1 Ų173.191%0.90985%0.851SS**SBendtrans-60.284.8156.9-80.3-179.5173.4178.70108.5E427E427-K429 PolarHBondContact O-N 2.88Å; E427-K429 VanDerWaalsContact O-N 3.13Å
430L40.3Very low37.9Very low156 Ų156175.1 Ų175.182%0.81786%0.859SS**  trans-161.623.9168.6-107.3169.9000114.9N428N428-L430 PolarHBondContact O-N 3.03Å
431L39.6Very low38.2Very low170 Ų170178.9 Ų178.989%0.8987%0.866SS**  trans-130.149.1172.3-82.6163.4000112.4
432K41.5Very low38.4Very low208 Ų208182.6 Ų182.690%0.90487%0.874SS**  trans-127.168.5156.1-84.8-169.7177.2-1770109
433K47.1Very low38.7Very low181 Ų181187.6 Ų187.679%0.78788%0.884SS**SBendtrans-161131.8156.8-102172.9-174.5-174.50105.3
434H43.2Very low38.9Very low176 Ų176189.8 Ų189.882%0.81589%0.887SS**  trans88.165.5-171.5-51.6-69000115.9
435F38.4Very low39.2Very low225 Ų225189 Ų18999%0.98789%0.888SS**  -147.899.4122.1-95.7-78.2000107.2
436K38.5Very low39.6Very low277 Ų277193.5 Ų193.5100%1.20489%0.892SS**  trans-129.90149.2-156-175.3-171-173.40105.5

Retrieved 436 of 436 residues in 171.4 ms (Link to these results)