A0A087XPL0_POEFO Loading...

Transmembrane protein 106B

AlphaFold DB (A0A3B3UM57), UniProt , Accession A0A087XPL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low33.8Very low247 Ų247140.8 Ų140.8100%1.21781%0.807SS**  0167.70-77.594.280.400110
2G38.2Very low33.3Very low80 Ų80144.5 Ų144.583%0.82581%0.806SS**  trans102.579.3164.900000115.7
3K40.2Very low32.9Very low192 Ų192142.3 Ų142.384%0.83579%0.792SS**  trans-81.4150.9150.6-85-175.7172.2-1760108.7
4G33.2Very low32.5Very low79 Ų79145.2 Ų145.281%0.81480%0.797SS**  trans-131.5114.5163.200000110.1
5Q42.1Very low32.3Very low157 Ų157140.8 Ų140.873%0.73478%0.78SS**  trans-130.9139172.5-69.4179.5-9300109.3
6S32.9Very low32.4Very low111 Ų111142.2 Ų142.278%0.77678%0.779SS**  trans-153.4134.3159.638.50000107.3
7H31.8Very low32.3Very low155 Ų155141 Ų14172%0.71877%0.772SS**  67.7137.652-68.9-121.3000111.6
8L32.2Very low32.2Very low140 Ų140137.6 Ų137.673%0.73377%0.765SS**  cis-166.5159.44.7-130.233000106.6
9S30.1Very low32.1Very low94 Ų94137.8 Ų137.866%0.65776%0.764SS**  cis179.3-178.8-15.755.30000112
10K27.1Very low31.9Very low186 Ų186136.9 Ų136.981%0.80976%0.763SS**  trans8689.1139.6-161.5177.2-176.3-177.60120.7
11S27.9Very low31.8Very low108 Ų108135.1 Ų135.176%0.75577%0.766SS**  34.9133.6110.2-177.10000121.1
12K27.7Very low31.4Very low185 Ų185128 Ų12880%0.80475%0.745SS**  142.2143.1125.2-163.3170.1-172.6-179.50111.7
13D28.2Very low31.2Very low116 Ų116127.8 Ų127.862%0.6274%0.744SS**  cis175.1156.2-26175.729.7000108.2
14E27.8Very low30.6Very low183 Ų183127.9 Ų127.986%0.85575%0.747SS**  trans166.6104.3160.1-99.1171.815500108.3
15S29.5Very low30.5Very low79 Ų79134.3 Ų134.355%0.55275%0.753SS**  67.5108.285.7-85.90000115
16Q33.2Very low30Very low163 Ų163138.9 Ų138.976%0.76276%0.764SS**  83147.4100-73.3-179.2-8300113.2
17D31.3Very low29.8Very low122 Ų122140.5 Ų140.565%0.65276%0.763SS**  cis-159.2-178.3-4.3-122.1-47.8000106.9
18A30.2Very low29.7Very low79 Ų79136.5 Ų136.565%0.65376%0.764SS**  cis-160.1174.95.300000113.4
19L30.1Very low29.7Very low143 Ų143137.9 Ų137.975%0.74977%0.767SS**  trans-25163.2151.6-59.899.2000118.4
20T28.3Very low29.7Very low119 Ų119139.5 Ų139.573%0.7377%0.773SS**  cis-173.5154.8-6.724.50000111.7
21A28.8Very low29.9Very low100 Ų100139.1 Ų139.183%0.82677%0.774SS**  trans59.1176.1148.500000117.1
22A28.6Very low30.4Very low96 Ų96141.5 Ų141.579%0.79378%0.778SS**  cis-135.4172.6-8.600000109.4
23G33.8Very low30.6Very low77 Ų77138.4 Ų138.479%0.79477%0.77SS**  trans-104.9133.1169.800000111.7
24E28.2Very low31.5Very low194 Ų194135.8 Ų135.891%0.90777%0.771SS**  trans-130.8143.1168-75.1-164.8106.400111
25F31.1Very low32Very low213 Ų213134.9 Ų134.993%0.93476%0.764SS**  trans-90.4134.4169-94.1-105.7000109.6
26R31.2Very low33Very low254 Ų254140.4 Ų140.496%0.95878%0.781SS**  trans-157.5165130.6-123.3174.9162.7154.5-4.5115.1
27D29.5Very low33.2Very low144 Ų144135.8 Ų135.877%0.7778%0.777SS**  trans-91.4162-166.7-178.828.8000112.7
28G30Very low34Very low71 Ų71137.2 Ų137.273%0.73279%0.785SS**  trans-174.684.5-178.100000112.6
29Q32.2Very low35.1Very low170 Ų170139 Ų13979%0.79479%0.787SS**  trans-74.5128171.1-56.5177.3-60.200111.3
30T28.8Very low36.3Very low127 Ų127136 Ų13678%0.77978%0.778SS**  -173.2133.4118.227.10000113.7
31E31.9Very low37.3Very low179 Ų179138.6 Ų138.684%0.83678%0.782SS**  trans33.6119.2135.6-58.8179.2159.900122.4
32D37.3Very low38.3Very low158 Ų158141.8 Ų141.885%0.84578%0.778SS**  trans43.4110.2131.7-159.434.9000122
33D32.1Very low39.1Very low119 Ų119142.4 Ų142.464%0.63677%0.774SS**  -154.1143.3125.6-175.621.7000110.1K35D33-K35 IonicContact OD1-NZ 3.78Å; D33-K35 IonicContact OD2-NZ 2.59Å; D33-K35 PolarHBondContact OD2-NZ 3.24Å
34G47.7Very low39.9Very low61 Ų61145.6 Ų145.663%0.62976%0.763SS**  trans-91.2108.2-17800000113.2
35K38.8Very low41.3Very low164 Ų164140.9 Ų140.971%0.71375%0.747SS**  trans-136.8113.6164.6-94.6113.3-166.8168.60114.6D33 G37D33-K35 IonicContact OD1-NZ 3.78Å; D33-K35 IonicContact OD2-NZ 2.59Å; D33-K35 PolarHBondContact OD2-NZ 3.24Å; K35-G37 PolarHBondContact O-N 3.17Å
36H49.9Very low42.6Very low195 Ų195136.9 Ų136.990%0.90373%0.731SS**  trans1688.7137.6-140.868.3000116.2D38H36-D38 PolarHBondContact O-N 2.83Å
37G37Very low43.7Very low67 Ų67133.5 Ų133.569%0.69172%0.724SS**  trans-68.8115.9172.200000111.1K35 V39K35-G37 PolarHBondContact O-N 3.17Å; G37-V39 PolarHBondContact O-N 3.11Å
38D49.5Very low45.1Very low152 Ų152132 Ų13281%0.81372%0.72SS**  trans-56.2119.4-176.6-173.519.2000112.4H36H36-D38 PolarHBondContact O-N 2.83Å
39V53.5Low46.2Very low116 Ų116130.7 Ų130.770%0.70371%0.707SS**  trans-98.4109.6172.3177.10000107.5G37 Q41G37-V39 PolarHBondContact O-N 3.11Å; V39-Q41 PolarHBondContact O-N 3.43Å
40S54.4Low47.3Very low79 Ų79134.6 Ų134.655%0.55271%0.714SS**  trans-58.7100.5177.541.40000111.1F42S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 WeakPolarHBondContact O-CD2 3.17Å; S40-F42 PolarHBondContact O-N 3.41Å
41Q49.2Very low48.6Very low175 Ų175136.1 Ų136.182%0.81872%0.717SS**  trans-73.275.6-176.1-175.276.9-7.200110.6V39V39-Q41 PolarHBondContact O-N 3.43Å
42F49.5Very low50Low167 Ų167130.7 Ų130.773%0.73270%0.699SS**  trans-57.9130169.9-71.9-82.6000109.9S40 Y44S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 WeakPolarHBondContact O-CD2 3.17Å; S40-F42 PolarHBondContact O-N 3.41Å; F42-Y44 PolarHBondContact O-N 2.94Å
43P44.6Very low51.3Low109 Ų109129.9 Ų129.971%0.70870%0.699SS**  trans-63.1111.2179.7-22.933.7000111.2V45P43-V45 PolarHBondContact O-N 2.98Å
44Y52.4Low52.7Low143 Ų143128.9 Ų128.956%0.56170%0.698SS**  trans-68.4113.9169.3170.9-102.6000108.8F42 E46 G60F42-Y44 PolarHBondContact O-N 2.94Å; Y44-E46 HydrophobicContact CD1-CG 4.11Å; Y44-E46 HydrophobicContact CE1-CG 3.31Å; Y44-E46 WeakPolarHBondContact CE1-OE1 3.41Å; Y44-E46 PolarHBondContact OH-OE1 2.99Å; Y44-G60 PolarHBondContact OH-O 3.11Å; Y44-G60 VanDerWaalsContact OH-O 3.11Å
45V57.8Low53.1Low95 Ų95128.9 Ų128.958%0.57669%0.688SS**  trans-110111-177.2-780000110.5P43 F47P43-V45 PolarHBondContact O-N 2.98Å; V45-F47 HydrophobicContact CB-CD2 4.48Å; V45-F47 HydrophobicContact CB-CE2 4.37Å; V45-F47 HydrophobicContact CG2-CD2 4.12Å; V45-F47 HydrophobicContact CG2-CE2 3.83Å; V45-F47 PolarHBondContact O-N 3.18Å
46E57.9Low54.3Low130 Ų130126.4 Ų126.461%0.60769%0.688SS**  trans-74.493.6176.1-64.3-165.4149.300110.9Y44 T48Y44-E46 HydrophobicContact CD1-CG 4.11Å; Y44-E46 HydrophobicContact CE1-CG 3.31Å; Y44-E46 WeakPolarHBondContact CE1-OE1 3.41Å; Y44-E46 PolarHBondContact OH-OE1 2.99Å; E46-T48 HydrophobicContact CB-CG2 4.38Å; E46-T48 PolarHBondContact O-N 3.3Å; E46-T48 PolarHBondContact O-OG1 2.86Å
47F54.5Low54.9Low182 Ų182121.1 Ų121.180%0.79867%0.67SS**  trans-70.371167.8-84.6-88.4000111.1V45 G49V45-F47 HydrophobicContact CB-CD2 4.48Å; V45-F47 HydrophobicContact CB-CE2 4.37Å; V45-F47 HydrophobicContact CG2-CD2 4.12Å; V45-F47 HydrophobicContact CG2-CE2 3.83Å; V45-F47 PolarHBondContact O-N 3.18Å; F47-G49 PolarHBondContact O-N 3.05Å
48T58.4Low56.1Low114 Ų114119.3 Ų119.370%0.69965%0.646SS**  trans-74.154.5169.943.50000111.4E46E46-T48 HydrophobicContact CB-CG2 4.38Å; E46-T48 PolarHBondContact O-N 3.3Å; E46-T48 PolarHBondContact O-OG1 2.86Å
49G52.4Low56.9Low43 Ų43119.5 Ų119.544%0.44364%0.642SS.*  trans-62.5147.1167.100000110.2F47 D51 S52F47-G49 PolarHBondContact O-N 3.05Å; G49-D51 PolarHBondContact O-N 3.24Å; G49-S52 WeakPolarHBondContact O-CB 3.44Å; G49-S52 PolarHBondContact O-N 3.44Å; G49-S52 PolarHBondContact O-OG 3.46Å; G49-S52 VanDerWaalsContact O-OG 3.06Å
50R56.5Low57.5Low252 Ų252115.4 Ų115.495%0.95162%0.624SS**THydrogen-bonded Turntrans-57.5-19-169.8-97.8-179.2-177.9162.53.2116
51D55.5Low58.1Low158 Ų158115.8 Ų115.885%0.84562%0.623SS**THydrogen-bonded Turntrans-114.714.5-178.2-51.3-73000113G49 V53G49-D51 PolarHBondContact O-N 3.24Å; D51-V53 PolarHBondContact O-N 3.15Å; D51-V53 VanDerWaalsContact O-N 3.12Å
52S60.6Low58.7Low65 Ų65110.3 Ų110.346%0.45561%0.614SS.*  trans-74.2101.7-178.567.80000112.1G49 T54G49-S52 WeakPolarHBondContact O-CB 3.44Å; G49-S52 PolarHBondContact O-N 3.44Å; G49-S52 PolarHBondContact O-OG 3.46Å; G49-S52 VanDerWaalsContact O-OG 3.06Å; S52-T54 PolarHBondContact O-N 3.35Å
53V64.1Low59.4Low141 Ų141112.2 Ų112.286%0.85562%0.616SS**PPolyproline II helixtrans-69.2117.7172.3-177.70000109.7D51 C55D51-V53 PolarHBondContact O-N 3.15Å; D51-V53 VanDerWaalsContact O-N 3.12Å; V53-C55 PolarHBondContact O-N 2.7Å
54T63Low60.2Low99 Ų99111.3 Ų111.361%0.60760%0.604SS**PPolyproline II helixtrans-65.9130.5176.237.80000111.2S52S52-T54 PolarHBondContact O-N 3.35Å
55C56.1Low60.7Low61 Ų61108.5 Ų108.541%0.41260%0.603SS.*PPolyproline II helixtrans-63.2121.3177.4176.30000109.9V53 T57 C58 Q59V53-C55 PolarHBondContact O-N 2.7Å; C55-T57 PolarHBondContact O-N 3.32Å; C55-T57 VanDerWaalsContact O-N 3.17Å; C55-C58 PolarHBondContact O-N 3.01Å; C55-Q59 VanDerWaalsContact O-CA 3.26Å; C55-Q59 WeakPolarHBondContact O-CA 3.31Å; C55-Q59 PolarHBondContact O-N 3.18Å
56P63.9Low60.7Low112 Ų112114.1 Ų114.173%0.72761%0.614SS**THydrogen-bonded Turntrans-64.8-24.9-173.525.4-34.7000113.1
57T63Low60.8Low83 Ų83111.5 Ų111.551%0.50962%0.622SS.*THydrogen-bonded Turntrans-76.9-28.1-175.5-42.40000113.9C55 L72C55-T57 PolarHBondContact O-N 3.32Å; C55-T57 VanDerWaalsContact O-N 3.17Å; T57-L72 HydrophobicContact CG2-CD2 3.63Å; T57-L72 HydrophobicContact CG2-CG 4.49Å
58C62Low60.8Low29 Ų29107.5 Ų107.520%0.19661%0.606CS.*THydrogen-bonded Turntrans-126.4-0.7178.764.70000113.7C55 G60 T61C55-C58 PolarHBondContact O-N 3.01Å; C58-G60 PolarHBondContact O-N 2.9Å; C58-G60 VanDerWaalsContact O-N 3.11Å; C58-T61 PolarHBondContact O-N 3.18Å; C58-T61 PolarHBondContact O-OG1 3.37Å
59Q65Low60.5Low156 Ų156106.2 Ų106.273%0.72959%0.592SS**THydrogen-bonded Turntrans52.431.6-179.5-56.8-177.35.100113.6C55 T61C55-Q59 VanDerWaalsContact O-CA 3.26Å; C55-Q59 WeakPolarHBondContact O-CA 3.31Å; C55-Q59 PolarHBondContact O-N 3.18Å; Q59-T61 VanDerWaalsContact C-N 3.26Å; Q59-T61 PolarHBondContact O-N 3.11Å
60G67.3Low60.4Low31 Ų31111.3 Ų111.332%0.3261%0.609SS.*THydrogen-bonded Turntrans86.5-32.6-174.400000114.4Y44 C58 G62Y44-G60 PolarHBondContact OH-O 3.11Å; Y44-G60 VanDerWaalsContact OH-O 3.11Å; C58-G60 PolarHBondContact O-N 2.9Å; C58-G60 VanDerWaalsContact O-N 3.11Å; G60-G62 PolarHBondContact O-N 2.7Å
61T67.1Low60.1Low86 Ų86106 Ų10653%0.52860%0.595SS.*SBendtrans-61.1-5.2-169.671.80000117.1C58 Q59 R63C58-T61 PolarHBondContact O-N 3.18Å; C58-T61 PolarHBondContact O-OG1 3.37Å; Q59-T61 VanDerWaalsContact C-N 3.26Å; Q59-T61 PolarHBondContact O-N 3.11Å; T61-R63 PolarHBondContact O-N 3Å; T61-R63 PolarHBondContact OG1-O 2.71Å
62G62Low59.9Low61 Ų61101.6 Ų101.663%0.62957%0.571SS**SBendtrans66.4-0.4-178.700000115.7G60G60-G62 PolarHBondContact O-N 2.7Å
63R62.4Low59.4Low207 Ų207103.1 Ų103.178%0.78158%0.577SS**  trans-124146.8-178.5-63.7-178178.5-175.8-0.9110.4T61T61-R63 PolarHBondContact O-N 3Å; T61-R63 PolarHBondContact OG1-O 2.71Å
64I61.2Low59Low89 Ų89101 Ų10146%0.45658%0.575SS.*  trans-107.3129.2-178.9-67.8151.9000108.1R66 L72I64-R66 PolarHBondContact O-N 3.3Å; I64-L72 HydrophobicContact CD1-CD2 3.82Å; I64-L72 HydrophobicContact CG1-CD2 4.1Å; I64-L72 HydrophobicContact CG2-CD1 3.79Å; I64-L72 HydrophobicContact CG2-CD2 3.81Å; I64-L72 HydrophobicContact CG2-CG 4.42Å
65P63.1Low58.6Low84 Ų84102.6 Ų102.655%0.54558%0.579SS.*  trans-61.3119.9179.5-25.635.6000112.9G67 Q68P65-G67 PolarHBondContact O-N 2.82Å; P65-G67 VanDerWaalsContact O-N 3.12Å; P65-Q68 PolarHBondContact O-N 2.78Å; P65-Q68 VanDerWaalsContact O-N 3.08Å
66R58.6Low58.4Low213 Ų213105.5 Ų105.580%0.80459%0.589SS**THydrogen-bonded Turntrans-67.8109.6174-68.8-154173.1-105.98.4109.9I64 E69I64-R66 PolarHBondContact O-N 3.3Å; R66-E69 VanDerWaalsContact CA-OE1 3.31Å; R66-E69 WeakPolarHBondContact CA-OE1 3.15Å; R66-E69 WeakPolarHBondContact CB-OE1 3.42Å; R66-E69 WeakPolarHBondContact CD-OE1 3.47Å; R66-E69 WeakPolarHBondContact CG-OE1 3.44Å; R66-E69 IonicContact CZ-OE1 3.95Å; R66-E69 IonicContact NH1-OE1 3.14Å; R66-E69 PolarHBondContact NH1-OE1 2.91Å; R66-E69 VanDerWaalsContact NH1-OE1 3.14Å; R66-E69 IonicContact NH1-OE2 2.93Å; R66-E69 PolarHBondContact NH1-OE2 3.33Å
67G59.1Low57.5Low75 Ų75103.6 Ų103.677%0.77358%0.577SS**THydrogen-bonded Turntrans139-28.8-164.200000112.9P65P65-G67 PolarHBondContact O-N 2.82Å; P65-G67 VanDerWaalsContact O-N 3.12Å
68Q54.9Low56.8Low99 Ų99111.2 Ų111.246%0.46360%0.598SS.*SBendtrans-98.90.8172.2-157.7166.28.300113.1P65 N70 Q71 L72P65-Q68 PolarHBondContact O-N 2.78Å; P65-Q68 VanDerWaalsContact O-N 3.08Å; Q68-N70 PolarHBondContact O-N 3.14Å; Q68-N70 VanDerWaalsContact O-N 3.09Å; Q68-Q71 HydrophobicContact CG-CB 4.07Å; Q68-Q71 WeakPolarHBondContact O-CA 3.43Å; Q68-Q71 WeakPolarHBondContact O-CB 3.49Å; Q68-Q71 PolarHBondContact O-N 2.93Å; Q68-L72 HydrophobicContact CB-CD1 4.11Å; Q68-L72 HydrophobicContact CG-CD1 4.04Å; Q68-L72 VanDerWaalsContact O-CD1 3.3Å; Q68-L72 WeakPolarHBondContact O-CD1 3.48Å
69E53.1Low56.4Low86 Ų86114.8 Ų114.840%0.40262%0.623SS.*G310 helixtrans-50-39.2-176-63.1179.6-12600113.3R66 Q71 L72R66-E69 VanDerWaalsContact CA-OE1 3.31Å; R66-E69 WeakPolarHBondContact CA-OE1 3.15Å; R66-E69 WeakPolarHBondContact CB-OE1 3.42Å; R66-E69 WeakPolarHBondContact CD-OE1 3.47Å; R66-E69 WeakPolarHBondContact CG-OE1 3.44Å; R66-E69 IonicContact CZ-OE1 3.95Å; R66-E69 IonicContact NH1-OE1 3.14Å; R66-E69 PolarHBondContact NH1-OE1 2.91Å; R66-E69 VanDerWaalsContact NH1-OE1 3.14Å; R66-E69 IonicContact NH1-OE2 2.93Å; R66-E69 PolarHBondContact NH1-OE2 3.33Å; E69-Q71 PolarHBondContact O-N 2.86Å; E69-Q71 VanDerWaalsContact O-N 3.14Å; E69-L72 PolarHBondContact O-N 3.22Å
70N49.6Very low56Low151 Ų151109.7 Ų109.781%0.80760%0.601SS**G310 helixtrans-65.7-14.2178.1-63.5-16.7000114.3Q68Q68-N70 PolarHBondContact O-N 3.14Å; Q68-N70 VanDerWaalsContact O-N 3.09Å
71Q49.7Very low55.2Low139 Ų139116.3 Ų116.365%0.6562%0.624SS**G310 helixtrans-103.5-2.7175.1-156.3-178.312.100112.5Q68 E69Q68-Q71 HydrophobicContact CG-CB 4.07Å; Q68-Q71 WeakPolarHBondContact O-CA 3.43Å; Q68-Q71 WeakPolarHBondContact O-CB 3.49Å; Q68-Q71 PolarHBondContact O-N 2.93Å; E69-Q71 PolarHBondContact O-N 2.86Å; E69-Q71 VanDerWaalsContact O-N 3.14Å
72L52.6Low54.6Low66 Ų66123 Ų12335%0.34664%0.639SS.*  trans-103.85.3178-83.7104.2000114.4T57 I64 Q68 E69T57-L72 HydrophobicContact CG2-CD2 3.63Å; T57-L72 HydrophobicContact CG2-CG 4.49Å; I64-L72 HydrophobicContact CD1-CD2 3.82Å; I64-L72 HydrophobicContact CG1-CD2 4.1Å; I64-L72 HydrophobicContact CG2-CD1 3.79Å; I64-L72 HydrophobicContact CG2-CD2 3.81Å; I64-L72 HydrophobicContact CG2-CG 4.42Å; Q68-L72 HydrophobicContact CB-CD1 4.11Å; Q68-L72 HydrophobicContact CG-CD1 4.04Å; Q68-L72 VanDerWaalsContact O-CD1 3.3Å; Q68-L72 WeakPolarHBondContact O-CD1 3.48Å; E69-L72 PolarHBondContact O-N 3.22Å
73V49.7Very low54.3Low97 Ų97125 Ų12559%0.58864%0.635SS**SBendtrans-60.8142.5151.8-179.50000107.9L75V73-L75 HydrophobicContact CG1-CG 4.34Å; V73-L75 PolarHBondContact O-N 3.18Å
74A55.2Low54Low98 Ų98123.6 Ų123.681%0.8163%0.63SS**  trans-71.952.5179.700000113.6I76A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 2.03Å
75L54.5Low54.1Low132 Ų132122.7 Ų122.769%0.69163%0.63SS**  trans-6890.8165-70.7169000108.1V73 P77V73-L75 HydrophobicContact CG1-CG 4.34Å; V73-L75 PolarHBondContact O-N 3.18Å; L75-P77 WeakPolarHBondContact O-CD 3.33Å
76I52.6Low54.2Low121 Ų121123 Ų12362%0.62163%0.634SS**  trans-49.9116.3161.6-60.2171.5000105.8A74 Y78 D80A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 2.03Å; I76-Y78 PolarHBondContact O-N 2.97Å; I76-D80 HydrophobicContact CG2-CB 4.19Å
77P45.8Very low55.1Low73 Ų73119.6 Ų119.647%0.47462%0.621SS.*  trans-63139.5-169.320.8-29.2000109.3L75 S79 D80L75-P77 WeakPolarHBondContact O-CD 3.33Å; P77-S79 PolarHBondContact O-N 2.94Å; P77-D80 HydrophobicContact CG-CB 4.05Å; P77-D80 WeakPolarHBondContact O-CB 3.32Å; P77-D80 PolarHBondContact O-N 2.95Å
78Y48.3Very low56.1Low243 Ų243119.1 Ų119.195%0.95360%0.603SS**THydrogen-bonded Turntrans-61.1-10.2-179.4-148.9-88.7000112.9I76I76-Y78 PolarHBondContact O-N 2.97Å
79S52.2Low57.3Low103 Ų103121.3 Ų121.372%0.7261%0.611SS**THydrogen-bonded Turntrans-111.117.717552.60000114.3P77 Q81P77-S79 PolarHBondContact O-N 2.94Å; S79-Q81 PolarHBondContact O-N 3.09Å
80D56.7Low58.9Low49 Ų49121.3 Ų121.326%0.26261%0.614SS.*  trans-58.2110.5175.3-174.4-12.6000110.7I76 P77 R82 L83I76-D80 HydrophobicContact CG2-CB 4.19Å; P77-D80 HydrophobicContact CG-CB 4.05Å; P77-D80 WeakPolarHBondContact O-CB 3.32Å; P77-D80 PolarHBondContact O-N 2.95Å; D80-R82 PolarHBondContact O-N 3.41Å; D80-R82 VanDerWaalsContact OD1-CB 3.3Å; D80-R82 WeakPolarHBondContact OD1-CB 3.42Å; D80-R82 PolarHBondContact OD1-N 3Å; D80-L83 HydrophobicContact CB-CB 4.48Å; D80-L83 WeakPolarHBondContact O-CB 3.37Å; D80-L83 PolarHBondContact O-N 2.85Å; D80-L83 VanDerWaalsContact O-N 3.09Å
81Q51.1Low60.7Low170 Ų170121.2 Ų121.279%0.79460%0.603SS**THydrogen-bonded Turntrans-76.7-9.7-174.2-150.3159.2-1.400113.1S79S79-Q81 PolarHBondContact O-N 3.09Å
82R54.3Low62.7Low226 Ų226118.4 Ų118.485%0.85360%0.595SS**THydrogen-bonded Turntrans-70.8-34165.8-58.8-169.174.4-167.53.2111.3D80 R84D80-R82 PolarHBondContact O-N 3.41Å; D80-R82 VanDerWaalsContact OD1-CB 3.3Å; D80-R82 WeakPolarHBondContact OD1-CB 3.42Å; D80-R82 PolarHBondContact OD1-N 3Å; R82-R84 PolarHBondContact O-N 3.39Å
83L55.6Low64.6Low105 Ų105119.3 Ų119.355%0.5560%0.604SS.*SBendtrans-76.350.4173.7-11172.3000111.7D80 P85D80-L83 HydrophobicContact CB-CB 4.48Å; D80-L83 WeakPolarHBondContact O-CB 3.37Å; D80-L83 PolarHBondContact O-N 2.85Å; D80-L83 VanDerWaalsContact O-N 3.09Å; L83-P85 WeakPolarHBondContact O-CA 3.38Å; L83-P85 VanDerWaalsContact O-CD 3.3Å; L83-P85 WeakPolarHBondContact O-CD 3.21Å
84R55.8Low66.7Low177 Ų177119 Ų11967%0.66860%0.598SS**  trans-19.587.2-174.5-77-174.9165.9-175.3-3.5113.8R82 S86 R87 T88R82-R84 PolarHBondContact O-N 3.39Å; R84-S86 VanDerWaalsContact C-N 3.35Å; R84-S86 PolarHBondContact O-N 3.1Å; R84-R87 HydrophobicContact CB-CB 4.19Å; R84-R87 HydrophobicContact CB-CG 4.4Å; R84-R87 PolarHBondContact O-N 3.26Å; R84-T88 PolarHBondContact O-N 2.87Å; R84-T88 PolarHBondContact O-OG1 3.11Å
85P64.1Low68.6Low69 Ų69117.5 Ų117.545%0.44858%0.581SS.*Hα-helixtrans-71.2-29.9-153.221.4-33000113.4L83 K89L83-P85 WeakPolarHBondContact O-CA 3.38Å; L83-P85 VanDerWaalsContact O-CD 3.3Å; L83-P85 WeakPolarHBondContact O-CD 3.21Å; P85-K89 WeakPolarHBondContact O-CB 3.18Å; P85-K89 WeakPolarHBondContact O-CG 3.37Å; P85-K89 PolarHBondContact O-N 3.01Å
86S65.3Low70.6Confident92 Ų92115.1 Ų115.164%0.64357%0.572SS**Hα-helixtrans-68.5-35.6173.152.30000113.2R84 L90R84-S86 VanDerWaalsContact C-N 3.35Å; R84-S86 PolarHBondContact O-N 3.1Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 2.91Å; S86-L90 VanDerWaalsContact O-N 3.14Å
87R76.4Confident72.7Confident141 Ų141112.1 Ų112.153%0.53257%0.565SS.*Hα-helixtrans-74.3-47.4177.9-66-69.6179.3156.3-2.9110.6R84 K89 L90 Y91R84-R87 HydrophobicContact CB-CB 4.19Å; R84-R87 HydrophobicContact CB-CG 4.4Å; R84-R87 PolarHBondContact O-N 3.26Å; R87-K89 PolarHBondContact O-N 3.15Å; R87-L90 PolarHBondContact O-N 3.3Å; R87-Y91 HydrophobicContact CB-CE2 4.17Å; R87-Y91 WeakPolarHBondContact O-CD2 3.44Å; R87-Y91 PolarHBondContact O-N 2.95Å
88T80.2Confident75.2Confident65 Ų65113.3 Ų113.340%0.39957%0.567SS.*Hα-helixtrans-62-44.4177.8-48.90000111.5R84 L90 Y91 V92R84-T88 PolarHBondContact O-N 2.87Å; R84-T88 PolarHBondContact O-OG1 3.11Å; T88-L90 PolarHBondContact O-N 2.86Å; T88-Y91 PolarHBondContact O-N 2.8Å; T88-V92 WeakPolarHBondContact O-CG2 3.08Å; T88-V92 PolarHBondContact O-N 2.76Å
89K80.9Confident77.5Confident144 Ų144105.6 Ų105.663%0.62655%0.548SS*.Hα-helixtrans-59.3-44.4174.5-74.9174.8-178.9-174.50112P85 R87 V92 T93P85-K89 WeakPolarHBondContact O-CB 3.18Å; P85-K89 WeakPolarHBondContact O-CG 3.37Å; P85-K89 PolarHBondContact O-N 3.01Å; R87-K89 PolarHBondContact O-N 3.15Å; K89-V92 PolarHBondContact O-N 3.09Å; K89-T93 WeakPolarHBondContact O-CG2 3.28Å; K89-T93 PolarHBondContact O-N 2.91Å; K89-T93 PolarHBondContact O-OG1 2.92Å
90L86.2Confident79.6Confident87 Ų87105.7 Ų105.746%0.45554%0.54SS..Hα-helixtrans-61.9-43.8177.3-179.263.6000112.5S86 R87 T88 V92 T93 I94S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 2.91Å; S86-L90 VanDerWaalsContact O-N 3.14Å; R87-L90 PolarHBondContact O-N 3.3Å; T88-L90 PolarHBondContact O-N 2.86Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.82Å; L90-T93 PolarHBondContact O-N 3.27Å; L90-T93 PolarHBondContact O-OG1 2.86Å; L90-T93 VanDerWaalsContact O-OG1 3.11Å; L90-I94 HydrophobicContact CD1-CD1 3.84Å; L90-I94 HydrophobicContact CD1-CG1 4.23Å; L90-I94 HydrophobicContact CG-CD1 3.85Å; L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 2.91Å
91Y88.7Confident81.6Confident148 Ų148108.2 Ų108.258%0.5855%0.553SS**Hα-helixtrans-64.6-38.5177-67-53.4000112.2R87 T88 S95R87-Y91 HydrophobicContact CB-CE2 4.17Å; R87-Y91 WeakPolarHBondContact O-CD2 3.44Å; R87-Y91 PolarHBondContact O-N 2.95Å; T88-Y91 PolarHBondContact O-N 2.8Å; Y91-S95 WeakPolarHBondContact O-CB 3.02Å; Y91-S95 PolarHBondContact O-N 3.26Å; Y91-S95 PolarHBondContact O-OG 3.07Å
92V90.7Very high83.7Confident80 Ų80104.9 Ų104.949%0.48554%0.54SS..Hα-helixtrans-69.6-40.4176.41730000111.9T88 K89 L90 S95 V96T88-V92 WeakPolarHBondContact O-CG2 3.08Å; T88-V92 PolarHBondContact O-N 2.76Å; K89-V92 PolarHBondContact O-N 3.09Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.82Å; V92-S95 PolarHBondContact O-N 2.92Å; V92-S95 PolarHBondContact O-OG 2.84Å; V92-S95 VanDerWaalsContact O-OG 3.12Å; V92-V96 HydrophobicContact CG1-CG2 4.47Å; V92-V96 WeakPolarHBondContact O-CB 3.36Å; V92-V96 VanDerWaalsContact O-CG2 3.29Å; V92-V96 WeakPolarHBondContact O-CG2 3.49Å; V92-V96 PolarHBondContact O-N 3Å
93T91.6Very high85.8Confident85 Ų8596.7 Ų96.752%0.52152%0.517SS..Hα-helixtrans-68.4-36.3175.655.30000111.9K89 L90 A97K89-T93 WeakPolarHBondContact O-CG2 3.28Å; K89-T93 PolarHBondContact O-N 2.91Å; K89-T93 PolarHBondContact O-OG1 2.92Å; L90-T93 PolarHBondContact O-N 3.27Å; L90-T93 PolarHBondContact O-OG1 2.86Å; L90-T93 VanDerWaalsContact O-OG1 3.11Å; T93-A97 WeakPolarHBondContact O-CB 3.47Å; T93-A97 PolarHBondContact O-N 2.82Å
94I94.9Very high87.7Confident92 Ų9295.8 Ų95.847%0.47252%0.519SS..Hα-helixtrans-66.7-44174.2-70170000111.2L90 A97 L98L90-I94 HydrophobicContact CD1-CD1 3.84Å; L90-I94 HydrophobicContact CD1-CG1 4.23Å; L90-I94 HydrophobicContact CG-CD1 3.85Å; L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 2.91Å; I94-A97 PolarHBondContact O-N 2.87Å; I94-L98 VanDerWaalsContact O-CB 3.23Å; I94-L98 WeakPolarHBondContact O-CB 3.11Å; I94-L98 PolarHBondContact O-N 3Å
95S95.3Very high89.6Confident66 Ų6691 Ų9146%0.46251%0.506SS..Hα-helixtrans-67.9-38.418066.60000112.5Y91 V92 C99Y91-S95 WeakPolarHBondContact O-CB 3.02Å; Y91-S95 PolarHBondContact O-N 3.26Å; Y91-S95 PolarHBondContact O-OG 3.07Å; V92-S95 PolarHBondContact O-N 2.92Å; V92-S95 PolarHBondContact O-OG 2.84Å; V92-S95 VanDerWaalsContact O-OG 3.12Å; S95-C99 VanDerWaalsContact O-CB 3.24Å; S95-C99 WeakPolarHBondContact O-CB 3.21Å; S95-C99 PolarHBondContact O-N 3.26Å
96V96.8Very high91Very high81 Ų8189.9 Ų89.949%0.49150%0.503SS..Hα-helixtrans-64.1-48.2172.1170.70000111V92 L98 C99 L100V92-V96 HydrophobicContact CG1-CG2 4.47Å; V92-V96 WeakPolarHBondContact O-CB 3.36Å; V92-V96 VanDerWaalsContact O-CG2 3.29Å; V92-V96 WeakPolarHBondContact O-CG2 3.49Å; V92-V96 PolarHBondContact O-N 3Å; V96-L98 PolarHBondContact O-N 3.13Å; V96-C99 PolarHBondContact O-N 3.11Å; V96-L100 HydrophobicContact CG1-CD1 4.05Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 3.18Å
97A96.7Very high92.4Very high58 Ų5889.8 Ų89.848%0.47950%0.498SS..Hα-helixtrans-62.8-39.6179.200000112.7T93 I94 L100 L101T93-A97 WeakPolarHBondContact O-CB 3.47Å; T93-A97 PolarHBondContact O-N 2.82Å; I94-A97 PolarHBondContact O-N 2.87Å; A97-L100 PolarHBondContact O-N 3.03Å; A97-L101 WeakPolarHBondContact O-CB 3.17Å; A97-L101 PolarHBondContact O-N 3.21Å
98L97.1Very high93.2Very high99 Ų9988.1 Ų88.152%0.51850%0.495SS..Hα-helixtrans-67.9-39.4175.6-177.2149.5000111.7I94 V96 L101 L102I94-L98 VanDerWaalsContact O-CB 3.23Å; I94-L98 WeakPolarHBondContact O-CB 3.11Å; I94-L98 PolarHBondContact O-N 3Å; V96-L98 PolarHBondContact O-N 3.13Å; L98-L101 PolarHBondContact O-N 2.72Å; L98-L102 HydrophobicContact CD2-CD1 3.65Å; L98-L102 HydrophobicContact CD2-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.87Å
99C97.1Very high93.8Very high81 Ų8189.5 Ų89.555%0.54750%0.496SS..Hα-helixtrans-62.7-45.3174.4-172.90000111.7S95 V96 L102 S103S95-C99 VanDerWaalsContact O-CB 3.24Å; S95-C99 WeakPolarHBondContact O-CB 3.21Å; S95-C99 PolarHBondContact O-N 3.26Å; V96-C99 PolarHBondContact O-N 3.11Å; C99-L102 PolarHBondContact O-N 2.83Å; C99-S103 PolarHBondContact O-N 2.99Å; C99-S103 PolarHBondContact O-OG 3.06Å
100L97.2Very high94.2Very high104 Ų10487.3 Ų87.355%0.54549%0.49SS..Hα-helixtrans-63.2-40.4174.6-67.9173.8000112.1V96 A97 S103 C104V96-L100 HydrophobicContact CG1-CD1 4.05Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 3.18Å; A97-L100 PolarHBondContact O-N 3.03Å; L100-S103 PolarHBondContact O-N 3.16Å; L100-S103 PolarHBondContact O-OG 2.97Å; L100-S103 VanDerWaalsContact O-OG 3.11Å; L100-C104 VanDerWaalsContact O-CB 3.3Å; L100-C104 WeakPolarHBondContact O-CB 3.41Å; L100-C104 PolarHBondContact O-N 2.79Å; L100-C104 PolarHBondContact O-SG 2.83Å
101L97.1Very high94.4Very high102 Ų10289.9 Ų89.953%0.53450%0.498SS..Hα-helixtrans-63.6-44.7176-178.6147.3000111.4A97 L98 L105A97-L101 WeakPolarHBondContact O-CB 3.17Å; A97-L101 PolarHBondContact O-N 3.21Å; L98-L101 PolarHBondContact O-N 2.72Å; L101-L105 HydrophobicContact CD2-CD1 3.65Å; L101-L105 HydrophobicContact CD2-CG 4.41Å; L101-L105 HydrophobicContact CG-CD1 4.45Å; L101-L105 WeakPolarHBondContact O-CB 3.5Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 2.85Å
102L96.8Very high94.5Very high100 Ų10085.8 Ų85.852%0.52449%0.489SS..Hα-helixtrans-66.1-38.5177.1-70.8179.3000112.5L98 C99 L105 A106L98-L102 HydrophobicContact CD2-CD1 3.65Å; L98-L102 HydrophobicContact CD2-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.87Å; C99-L102 PolarHBondContact O-N 2.83Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-A106 WeakPolarHBondContact O-CB 3.2Å; L102-A106 PolarHBondContact O-N 2.83Å
103S96.9Very high94.5Very high55 Ų5586.1 Ų86.139%0.38548%0.482SS..Hα-helixtrans-71.7-39.3177.167.40000112.3C99 L100 L105 A106 V107C99-S103 PolarHBondContact O-N 2.99Å; C99-S103 PolarHBondContact O-OG 3.06Å; L100-S103 PolarHBondContact O-N 3.16Å; L100-S103 PolarHBondContact O-OG 2.97Å; L100-S103 VanDerWaalsContact O-OG 3.11Å; S103-L105 PolarHBondContact O-N 2.97Å; S103-A106 PolarHBondContact O-N 2.88Å; S103-V107 WeakPolarHBondContact O-CG2 3.48Å; S103-V107 PolarHBondContact O-N 2.86Å
104C96Very high94.4Very high86 Ų8685.1 Ų85.158%0.58148%0.478SS*.Hα-helixtrans-61.8-40.5171.7-74.20000112.4L100 F108L100-C104 VanDerWaalsContact O-CB 3.3Å; L100-C104 WeakPolarHBondContact O-CB 3.41Å; L100-C104 PolarHBondContact O-N 2.79Å; L100-C104 PolarHBondContact O-SG 2.83Å; C104-F108 WeakPolarHBondContact O-CB 3.46Å; C104-F108 PolarHBondContact O-N 2.81Å
105L95.6Very high94.4Very high75 Ų7581 Ų8139%0.39346%0.457SS..Hα-helixtrans-65.4-45173.5-73.2175.7000111.8L101 L102 S103 V107 F108 F109L101-L105 HydrophobicContact CD2-CD1 3.65Å; L101-L105 HydrophobicContact CD2-CG 4.41Å; L101-L105 HydrophobicContact CG-CD1 4.45Å; L101-L105 WeakPolarHBondContact O-CB 3.5Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 2.85Å; L102-L105 PolarHBondContact O-N 3.02Å; S103-L105 PolarHBondContact O-N 2.97Å; L105-V107 VanDerWaalsContact C-N 3.32Å; L105-V107 PolarHBondContact O-N 2.83Å; L105-F108 PolarHBondContact O-N 2.82Å; L105-F108 VanDerWaalsContact O-N 3.17Å; L105-F109 HydrophobicContact CB-CD2 4.39Å; L105-F109 HydrophobicContact CB-CE2 4.34Å; L105-F109 HydrophobicContact CD2-CE2 4.08Å; L105-F109 WeakPolarHBondContact O-CD2 3.04Å; L105-F109 PolarHBondContact O-N 3.32Å
106A94.2Very high94.3Very high47 Ų4780.9 Ų80.939%0.38845%0.451SS..Hα-helixtrans-59-43.3177.400000111.7L102 S103 L110L102-A106 WeakPolarHBondContact O-CB 3.2Å; L102-A106 PolarHBondContact O-N 2.83Å; S103-A106 PolarHBondContact O-N 2.88Å; A106-L110 VanDerWaalsContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CB 3.47Å; A106-L110 VanDerWaalsContact O-CG 3.29Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.89Å
107V93.3Very high94.2Very high90 Ų9077.6 Ų77.655%0.54543%0.432SS..Hα-helixtrans-63.5-47.9172.6173.30000110.9S103 L105 F109 L110 F111S103-V107 WeakPolarHBondContact O-CG2 3.48Å; S103-V107 PolarHBondContact O-N 2.86Å; L105-V107 VanDerWaalsContact C-N 3.32Å; L105-V107 PolarHBondContact O-N 2.83Å; V107-F109 VanDerWaalsContact C-N 3.29Å; V107-F109 PolarHBondContact O-N 2.94Å; V107-L110 PolarHBondContact O-N 2.84Å; V107-F111 HydrophobicContact CG1-CB 4.45Å; V107-F111 WeakPolarHBondContact O-CB 3.43Å; V107-F111 PolarHBondContact O-N 2.74Å
108F93.3Very high94Very high105 Ų10577.7 Ų77.746%0.46143%0.426SS..Hα-helixtrans-59.4-35.5-178.9178.1-93.9000114C104 L105 Y151C104-F108 WeakPolarHBondContact O-CB 3.46Å; C104-F108 PolarHBondContact O-N 2.81Å; L105-F108 PolarHBondContact O-N 2.82Å; L105-F108 VanDerWaalsContact O-N 3.17Å; F108-Y151 HydrophobicContact CD1-CE2 4.18Å; F108-Y151 HydrophobicContact CE1-CD2 4.46Å; F108-Y151 AromaticContact CE1-CE2 3.55Å; F108-Y151 HydrophobicContact CE1-CE2 3.55Å; F108-Y151 AromaticContact CE1-CZ 3.84Å; F108-Y151 AromaticContact CZ-CE2 3.97Å; F108-Y151 HydrophobicContact CZ-CE2 3.97Å
109F92.6Very high93.7Very high95 Ų9575.1 Ų75.142%0.41741%0.41SS..Hα-helixtrans-86-26.8179.4-70.3-60.4000114.4L105 V107 Y151L105-F109 HydrophobicContact CB-CD2 4.39Å; L105-F109 HydrophobicContact CB-CE2 4.34Å; L105-F109 HydrophobicContact CD2-CE2 4.08Å; L105-F109 WeakPolarHBondContact O-CD2 3.04Å; L105-F109 PolarHBondContact O-N 3.32Å; V107-F109 VanDerWaalsContact C-N 3.29Å; V107-F109 PolarHBondContact O-N 2.94Å; F109-Y151 HydrophobicContact CD1-CD1 4.2Å; F109-Y151 AromaticContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CE2 4.23Å; F109-Y151 AromaticContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CE1-CD1 4.35Å; F109-Y151 HydrophobicContact CE1-CD2 4.41Å; F109-Y151 HydrophobicContact CE1-CG 4.29Å
110L90.6Very high93.3Very high98 Ų9873.2 Ų73.251%0.51340%0.395SS..Hα-helixtrans-103.4-13.2-176.5-61174.4000114.2A106 V107 F231A106-L110 VanDerWaalsContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CB 3.47Å; A106-L110 VanDerWaalsContact O-CG 3.29Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.89Å; V107-L110 PolarHBondContact O-N 2.84Å; L110-F231 HydrophobicContact CD2-CE2 3.95Å; L110-F231 HydrophobicContact CD2-CZ 3.72Å
111F90.9Very high92.8Very high141 Ų14168.6 Ų68.662%0.61837%0.373SS*.SBendtrans-68.5127.9175.5-169.8-86.1000109.9V107 R113V107-F111 HydrophobicContact CG1-CB 4.45Å; V107-F111 WeakPolarHBondContact O-CB 3.43Å; V107-F111 PolarHBondContact O-N 2.74Å; F111-R113 PolarHBondContact O-N 2.65Å
112P89.9Confident92.3Very high61 Ų6164.8 Ų64.840%0.39635%0.354SS..  trans-65.4135.3-17326.1-34.5000111.8
113R91.6Very high91.9Very high88 Ų8864.7 Ų64.733%0.33235%0.35SS..  trans-108.6162.1169-68.3178.7167-169.10.6109.6F111 N149 N150 Y151F111-R113 PolarHBondContact O-N 2.65Å; R113-N149 HydrophobicContact CB-CB 4.24Å; R113-N149 WeakPolarHBondContact CD-O 3.32Å; R113-N150 PolarHBondContact N-OD1 2.79Å; R113-N150 PolarHBondContact O-ND2 3.35Å; R113-N150 VanDerWaalsContact O-ND2 3.07Å; R113-N150 PolarHBondContact O-OD1 2.62Å; R113-Y151 PolarHBondContact NH1-OH 3.07Å; R113-Y151 VanDerWaalsContact NH2-CE2 3.28Å; R113-Y151 PolarHBondContact NH2-OH 3.32Å
114S88.9Confident91.7Very high63 Ų6362.6 Ų62.644%0.44134%0.335SS..  trans-56.6144.7-178.767.70000112.5D116 N149S114-D116 WeakPolarHBondContact CB-OD1 3.22Å; S114-D116 PolarHBondContact OG-OD1 2.75Å; S114-N149 WeakPolarHBondContact O-CB 3.4Å; S114-N149 PolarHBondContact O-ND2 3.46Å; S114-N149 PolarHBondContact OG-ND2 3.05Å
115I93.4Very high91.5Very high5 Ų558.5 Ų58.53%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-108.1103.9167.2-58.5170.5000105.4V117 I146 I154 T228 Y230I115-V117 PolarHBondContact O-N 3.01Å; I115-I146 HydrophobicContact CG2-CG2 3.85Å; I115-I154 HydrophobicContact CD1-CD1 3.79Å; I115-I154 HydrophobicContact CD1-CG2 4.15Å; I115-I154 HydrophobicContact CG1-CD1 4.02Å; I115-I154 HydrophobicContact CG2-CD1 3.71Å; I115-T228 HydrophobicContact CD1-CG2 4.12Å; I115-T228 WeakPolarHBondContact CD1-OG1 3.47Å; I115-T228 HydrophobicContact CG2-CG2 4.3Å; I115-Y230 HydrophobicContact CD1-CD1 4.5Å; I115-Y230 HydrophobicContact CD1-CE1 4.28Å
116D93.9Very high91.5Very high65 Ų6560.5 Ų60.535%0.34831%0.31SS..EExtended strand (participates in β ladder)trans-87.3115.3-169.9-56-24.7000109.2S114 T147 N149S114-D116 WeakPolarHBondContact CB-OD1 3.22Å; S114-D116 PolarHBondContact OG-OD1 2.75Å; D116-T147 PolarHBondContact N-O 3.28Å; D116-T147 PolarHBondContact O-N 2.87Å; D116-N149 VanDerWaalsContact CG-ND2 3.35Å; D116-N149 PolarHBondContact OD2-ND2 2.83Å
117V94.2Very high91.5Very high12 Ų1259.1 Ų59.17%0.07330%0.297CS..EExtended strand (participates in β ladder)trans-96.8127174.1-178.20000108.4I115 I146 V226 V237 Q239I115-V117 PolarHBondContact O-N 3.01Å; V117-I146 HydrophobicContact CG2-CG1 4.48Å; V117-V226 HydrophobicContact CG1-CG2 3.88Å; V117-V226 HydrophobicContact CG2-CB 4.08Å; V117-V226 HydrophobicContact CG2-CG2 3.85Å; V117-V237 HydrophobicContact CB-CG1 4.15Å; V117-V237 HydrophobicContact CG2-CB 3.98Å; V117-V237 HydrophobicContact CG2-CG1 3.74Å; V117-Q239 PolarHBondContact O-NE2 2.99Å; V117-Q239 PolarHBondContact O-OE1 2.87Å
118T93Very high91.5Very high59 Ų5958.1 Ų58.136%0.36229%0.294SS..EExtended strand (participates in β ladder)trans-131.3144.3-179.857.50000111.2L144 N145T118-L144 CarbonylContact O-C 3.53Å; T118-L144 WeakPolarHBondContact O-CA 3.39Å; T118-N145 PolarHBondContact N-O 2.8Å; T118-N145 PolarHBondContact O-N 2.88Å; T118-N145 PolarHBondContact OG1-O 3.28Å
119Y91.5Very high91.6Very high45 Ų4556.6 Ų56.618%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-89125.3176.3176.8-92.7000110.2G121 V122 N142 M241 Q243Y119-G121 VanDerWaalsContact CE1-CA 3.49Å; Y119-V122 WeakPolarHBondContact OH-CG2 3.32Å; Y119-V122 PolarHBondContact OH-N 2.92Å; Y119-N142 HydrophobicContact CE2-CB 4.07Å; Y119-M241 HydrophobicContact CD1-CG 4.2Å; Y119-M241 HydrophobicContact CE1-CG 4.46Å; Y119-M241 HydrophobicContact CG-CG 4.31Å; Y119-Q243 PolarHBondContact OH-OE1 3.31Å
120V88.9Confident91.6Very high41 Ų4153.9 Ų53.925%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-91.6-45.4-178-176.80000111.4T143 N145V120-T143 HydrophobicContact CB-CG2 4.32Å; V120-T143 WeakPolarHBondContact CB-O 3.46Å; V120-T143 HydrophobicContact CG2-CG2 4.36Å; V120-T143 PolarHBondContact N-O 2.83Å; V120-N145 HydrophobicContact CG2-CB 3.64Å
121G85.1Confident91.7Very high8 Ų856.8 Ų56.88%0.08229%0.287CS..EExtended strand (participates in β ladder)trans165.3172.7-178.900000114.3Y119 T143Y119-G121 VanDerWaalsContact CE1-CA 3.49Å; G121-T143 PolarHBondContact O-N 2.93Å
122V86.6Confident91.7Very high21 Ų2158.9 Ų58.913%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-75.5130.2165.5-171.20000108.2Y119 N142 S253Y119-V122 WeakPolarHBondContact OH-CG2 3.32Å; Y119-V122 PolarHBondContact OH-N 2.92Å; V122-N142 WeakPolarHBondContact CA-OD1 3.43Å; V122-S253 PolarHBondContact O-OG 3.04Å; V122-S253 VanDerWaalsContact O-OG 3.09Å
123K89.4Confident91.7Very high99 Ų9962 Ų6243%0.4331%0.307SS..EExtended strand (participates in β ladder)trans-94.7-39.7175.9-176.7168.3-173.71610111.4T141 D190 S253K123-T141 HydrophobicContact CB-CG2 4.31Å; K123-T141 WeakPolarHBondContact CB-O 3.33Å; K123-T141 HydrophobicContact CD-CG2 4.38Å; K123-T141 PolarHBondContact N-O 2.94Å; K123-D190 WeakPolarHBondContact CD-OD1 3.27Å; K123-D190 VanDerWaalsContact NZ-CG 3.32Å; K123-D190 IonicContact NZ-OD1 2.62Å; K123-D190 PolarHBondContact NZ-OD1 2.9Å; K123-D190 IonicContact NZ-OD2 3.35Å; K123-D190 PolarHBondContact NZ-OD2 2.84Å; K123-S253 WeakPolarHBondContact CA-O 3.21Å; K123-S253 PolarHBondContact O-N 2.81Å; K123-S253 VanDerWaalsContact O-N 3.11Å
124S92.3Very high91.8Very high11 Ų1163.1 Ų63.18%0.07731%0.312CS..EExtended strand (participates in β ladder)trans-161.3154169.756.80000112.3Y126 T141 T251S124-Y126 WeakPolarHBondContact OG-CE2 3.47Å; S124-T141 PolarHBondContact N-O 2.65Å; S124-T141 VanDerWaalsContact N-O 3.16Å; S124-T141 PolarHBondContact O-N 3.07Å; S124-T251 CarbonylContact C-O 3.5Å; S124-T251 VanDerWaalsContact CA-O 3.22Å; S124-T251 WeakPolarHBondContact CA-O 3.44Å; S124-T251 WeakPolarHBondContact CB-O 3.39Å
125A92.6Very high92.1Very high0 Ų061.1 Ų61.10%030%0.296CS..EExtended strand (participates in β ladder)trans-128.9119.7161.200000108.9T139 I140 V245 T251A125-T139 WeakPolarHBondContact CA-O 3.38Å; A125-I140 HydrophobicContact CB-CG1 4.41Å; A125-V245 HydrophobicContact CB-CG1 3.67Å; A125-T251 PolarHBondContact N-O 3.46Å; A125-T251 PolarHBondContact O-N 3.24Å
126Y94.6Very high92.1Very high116 Ų11660.9 Ų60.946%0.45530%0.295SS..EExtended strand (participates in β ladder)trans-100.1137.9174.5-66.3-77000110.5S124 L138 T139 N250S124-Y126 WeakPolarHBondContact OG-CE2 3.47Å; Y126-L138 CarbonylContact O-C 3.54Å; Y126-L138 WeakPolarHBondContact O-CA 3.39Å; Y126-T139 PolarHBondContact N-O 3Å; Y126-T139 PolarHBondContact O-N 3.44Å; Y126-N250 VanDerWaalsContact CA-OD1 3.32Å; Y126-N250 WeakPolarHBondContact CA-OD1 3.26Å; Y126-N250 HydrophobicContact CD1-CB 4.2Å
127V94.5Very high92.2Very high19 Ų1961.6 Ų61.612%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-115.6136.4-173.7-175.60000109.7Y129 V136 Y137 L138 C247 G249 N250V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE1 3.89Å; V127-Y129 HydrophobicContact CG1-CE2 3.79Å; V127-Y129 VanDerWaalsContact CG1-CZ 3.48Å; V127-V136 HydrophobicContact CG1-CG1 4.42Å; V127-Y137 WeakPolarHBondContact CA-O 3.35Å; V127-L138 HydrophobicContact CB-CD2 4.22Å; V127-L138 HydrophobicContact CG1-CD2 3.96Å; V127-L138 HydrophobicContact CG2-CD2 3.78Å; V127-C247 WeakPolarHBondContact CG1-O 3.3Å; V127-G249 WeakPolarHBondContact CG2-O 3.37Å; V127-N250 PolarHBondContact N-OD1 3.3Å
128S94.4Very high92.2Very high68 Ų6861 Ų6148%0.47629%0.289SS..EExtended strand (participates in β ladder)trans-142.7157.2168.3-172.40000110.7Y137S128-Y137 PolarHBondContact N-O 2.89Å; S128-Y137 PolarHBondContact O-N 3.19Å
129Y94.1Very high92.3Very high74 Ų7460.6 Ų60.629%0.2929%0.287SS..EExtended strand (participates in β ladder)trans-132.2139.6-170.3-58.1-74.5000111.5V127 V136 F205 C208 T209 C247 G248V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE1 3.89Å; V127-Y129 HydrophobicContact CG1-CE2 3.79Å; V127-Y129 VanDerWaalsContact CG1-CZ 3.48Å; Y129-V136 HydrophobicContact CD1-CG1 4.13Å; Y129-V136 HydrophobicContact CD1-CG2 4.15Å; Y129-V136 HydrophobicContact CE1-CG1 3.96Å; Y129-V136 HydrophobicContact CE1-CG2 4.26Å; Y129-F205 HydrophobicContact CD1-CD2 4.46Å; Y129-F205 HydrophobicContact CD1-CE2 4.43Å; Y129-C208 HydrophobicContact CE1-CB 4Å; Y129-C208 PolarHBondContact OH-O 3.3Å; Y129-T209 HydrophobicContact CD1-CG2 3.82Å; Y129-T209 HydrophobicContact CE1-CG2 3.7Å; Y129-T209 HydrophobicContact CG-CG2 4.31Å; Y129-C247 PolarHBondContact OH-O 2.87Å; Y129-G248 VanDerWaalsContact OH-C 3.25Å; Y129-G248 WeakPolarHBondContact OH-CA 3.31Å; Y129-G248 PolarHBondContact OH-O 3.31Å
130N93.9Very high92.4Very high38 Ų3858.5 Ų58.520%0.20328%0.279CS..EExtended strand (participates in β ladder)trans-109.6110.6161.4-177.2-17.4000108.9E132 Q133 R134 I135 Y137 F205N130-E132 PolarHBondContact OD1-N 2.87Å; N130-Q133 PolarHBondContact ND2-OE1 2.98Å; N130-Q133 VanDerWaalsContact ND2-OE1 3.13Å; N130-Q133 PolarHBondContact OD1-N 2.8Å; N130-R134 WeakPolarHBondContact O-CA 3.49Å; N130-R134 PolarHBondContact O-N 3Å; N130-I135 HydrophobicContact CB-CB 4.24Å; N130-I135 PolarHBondContact N-O 3Å; N130-I135 PolarHBondContact O-N 2.84Å; N130-I135 VanDerWaalsContact O-N 3.09Å; N130-Y137 HydrophobicContact CB-CE2 4.12Å; N130-F205 WeakPolarHBondContact O-CE2 3.15Å
131Q91.3Very high92.6Very high159 Ų15957.3 Ų57.374%0.74327%0.272SS*.THydrogen-bonded Turntrans-72.8-32.2-178.3-59-170.2-2300113.1F205Q131-F205 HydrophobicContact CB-CZ 4.24Å; Q131-F205 HydrophobicContact CG-CE2 4.49Å; Q131-F205 HydrophobicContact CG-CZ 4.09Å
132E91.4Very high93Very high185 Ų18556.9 Ų56.986%0.86427%0.268SS*.THydrogen-bonded Turntrans-70.2-39-178.9-59.3-178.7171.100111.4N130N130-E132 PolarHBondContact OD1-N 2.87Å
133Q90.9Very high93.3Very high125 Ų12556.7 Ų56.758%0.58427%0.266SS*.THydrogen-bonded Turntrans-100.4-2.3-177.7-62.2-172.4-42.200113.9N130 I135N130-Q133 PolarHBondContact ND2-OE1 2.98Å; N130-Q133 VanDerWaalsContact ND2-OE1 3.13Å; N130-Q133 PolarHBondContact OD1-N 2.8Å; Q133-I135 VanDerWaalsContact C-N 3.31Å; Q133-I135 HydrophobicContact CB-CD1 3.73Å; Q133-I135 HydrophobicContact CB-CG1 3.82Å; Q133-I135 PolarHBondContact O-N 2.89Å
134R92.6Very high93.4Very high112 Ų11252 Ų5242%0.42325%0.246SC..THydrogen-bonded Turntrans53.544.7-175.1-65170.1153.9-108.5-19.3113N130 F205 D206N130-R134 WeakPolarHBondContact O-CA 3.49Å; N130-R134 PolarHBondContact O-N 3Å; R134-F205 HydrophobicContact CB-CB 4.09Å; R134-F205 HydrophobicContact CB-CD1 4.15Å; R134-F205 HydrophobicContact CB-CD2 4.43Å; R134-F205 HydrophobicContact CB-CG 3.97Å; R134-F205 HydrophobicContact CG-CD1 4.05Å; R134-F205 HydrophobicContact CG-CE1 4.38Å; R134-F205 HydrophobicContact CG-CG 4.37Å; R134-F205 WeakPolarHBondContact O-CB 3.46Å; R134-D206 IonicContact CZ-OD1 3.01Å; R134-D206 IonicContact CZ-OD2 3.57Å; R134-D206 VanDerWaalsContact NH1-CG 3.29Å; R134-D206 IonicContact NH1-OD1 3.57Å; R134-D206 PolarHBondContact NH1-OD1 3.39Å; R134-D206 IonicContact NH1-OD2 3.35Å; R134-D206 PolarHBondContact NH1-OD2 3.32Å; R134-D206 IonicContact NH2-OD1 3.18Å; R134-D206 PolarHBondContact NH2-OD1 3.14Å; R134-D206 IonicContact NH2-OD2 2.7Å
135I94.7Very high93.5Very high21 Ų2152.3 Ų52.311%0.10825%0.247CC..EExtended strand (participates in β ladder)trans-105.8137.6-179.3-59.7177.4000109.9N130 Q133 Y137 T196 A198N130-I135 HydrophobicContact CB-CB 4.24Å; N130-I135 PolarHBondContact N-O 3Å; N130-I135 PolarHBondContact O-N 2.84Å; N130-I135 VanDerWaalsContact O-N 3.09Å; Q133-I135 VanDerWaalsContact C-N 3.31Å; Q133-I135 HydrophobicContact CB-CD1 3.73Å; Q133-I135 HydrophobicContact CB-CG1 3.82Å; Q133-I135 PolarHBondContact O-N 2.89Å; I135-Y137 HydrophobicContact CB-CE2 4.47Å; I135-Y137 HydrophobicContact CG2-CD1 4.07Å; I135-Y137 HydrophobicContact CG2-CD2 4.38Å; I135-Y137 HydrophobicContact CG2-CE1 3.63Å; I135-Y137 HydrophobicContact CG2-CE2 3.99Å; I135-Y137 HydrophobicContact CG2-CG 4.42Å; I135-T196 HydrophobicContact CG2-CG2 3.55Å; I135-A198 HydrophobicContact CD1-CB 4.23Å; I135-A198 HydrophobicContact CG1-CB 3.96Å; I135-A198 HydrophobicContact CG2-CB 4.34Å
136V94.4Very high93.6Very high0 Ų052.3 Ų52.30%025%0.247CC..EExtended strand (participates in β ladder)trans-108126.1168.6-1700000108.9V127 Y129 L138 I197 F205 C208V127-V136 HydrophobicContact CG1-CG1 4.42Å; Y129-V136 HydrophobicContact CD1-CG1 4.13Å; Y129-V136 HydrophobicContact CD1-CG2 4.15Å; Y129-V136 HydrophobicContact CE1-CG1 3.96Å; Y129-V136 HydrophobicContact CE1-CG2 4.26Å; V136-L138 HydrophobicContact CG1-CD2 3.76Å; V136-L138 HydrophobicContact CG1-CG 4.13Å; V136-I197 HydrophobicContact CB-CB 4.33Å; V136-I197 PolarHBondContact N-O 2.87Å; V136-I197 VanDerWaalsContact N-O 3.07Å; V136-I197 PolarHBondContact O-N 3.43Å; V136-F205 HydrophobicContact CG2-CB 4.09Å; V136-F205 HydrophobicContact CG2-CD2 4.28Å; V136-C208 HydrophobicContact CG2-CB 4.33Å
137Y95.3Very high93.7Very high80 Ų8048.3 Ų48.331%0.31424%0.235SC..EExtended strand (participates in β ladder)trans-104.4122172.7-56.4-74.8000109.3V127 S128 N130 I135 T195 T196V127-Y137 WeakPolarHBondContact CA-O 3.35Å; S128-Y137 PolarHBondContact N-O 2.89Å; S128-Y137 PolarHBondContact O-N 3.19Å; N130-Y137 HydrophobicContact CB-CE2 4.12Å; I135-Y137 HydrophobicContact CB-CE2 4.47Å; I135-Y137 HydrophobicContact CG2-CD1 4.07Å; I135-Y137 HydrophobicContact CG2-CD2 4.38Å; I135-Y137 HydrophobicContact CG2-CE1 3.63Å; I135-Y137 HydrophobicContact CG2-CE2 3.99Å; I135-Y137 HydrophobicContact CG2-CG 4.42Å; Y137-T195 WeakPolarHBondContact CA-O 3.48Å; Y137-T196 HydrophobicContact CD1-CG2 3.97Å; Y137-T196 HydrophobicContact CE1-CG2 3.75Å
138L94.2Very high93.7Very high0 Ų047.4 Ų47.40%023%0.229CC..EExtended strand (participates in β ladder)trans-117.5122.2175.1-49.2172.6000109.2Y126 V127 V136 I140 T195 I197 I218 C247Y126-L138 CarbonylContact O-C 3.54Å; Y126-L138 WeakPolarHBondContact O-CA 3.39Å; V127-L138 HydrophobicContact CB-CD2 4.22Å; V127-L138 HydrophobicContact CG1-CD2 3.96Å; V127-L138 HydrophobicContact CG2-CD2 3.78Å; V136-L138 HydrophobicContact CG1-CD2 3.76Å; V136-L138 HydrophobicContact CG1-CG 4.13Å; L138-I140 HydrophobicContact CB-CG1 4.41Å; L138-T195 WeakPolarHBondContact CB-OG1 3.33Å; L138-T195 PolarHBondContact N-O 2.9Å; L138-T195 WeakPolarHBondContact O-CB 3.47Å; L138-T195 PolarHBondContact O-N 3.06Å; L138-T195 PolarHBondContact O-OG1 3.44Å; L138-I197 HydrophobicContact CD1-CD1 3.81Å; L138-I218 HydrophobicContact CD1-CD1 3.66Å; L138-C247 HydrophobicContact CD1-CB 4.07Å; L138-C247 HydrophobicContact CD2-CB 3.98Å
139T95.5Very high93.8Very high51 Ų5146.5 Ų46.531%0.31322%0.219SC..EExtended strand (participates in β ladder)trans-105.799.2175.3-61.50000108.5A125 Y126 T192A125-T139 WeakPolarHBondContact CA-O 3.38Å; Y126-T139 PolarHBondContact N-O 3Å; Y126-T139 PolarHBondContact O-N 3.44Å; T139-T192 HydrophobicContact CG2-CG2 3.41Å; T139-T192 VanDerWaalsContact CG2-CG2 3.41Å
140I93.9Very high93.8Very high0 Ų043 Ų430%021%0.205CC..EExtended strand (participates in β ladder)trans-96.7123.4-172.6-61.2165.4000108.6A125 L138 V163 T192 V193 T195 V220 V245A125-I140 HydrophobicContact CB-CG1 4.41Å; L138-I140 HydrophobicContact CB-CG1 4.41Å; I140-V163 HydrophobicContact CD1-CG1 4.27Å; I140-T192 CarbonylContact O-C 3.52Å; I140-T192 WeakPolarHBondContact O-CA 3.42Å; I140-V193 PolarHBondContact N-O 2.98Å; I140-V193 PolarHBondContact O-N 3.35Å; I140-T195 HydrophobicContact CD1-CG2 4.4Å; I140-V220 HydrophobicContact CD1-CG2 4.29Å; I140-V245 HydrophobicContact CD1-CG1 4.4Å; I140-V245 HydrophobicContact CD1-CG2 4.06Å; I140-V245 HydrophobicContact CG1-CG1 4.34Å; I140-V245 HydrophobicContact CG1-CG2 4.44Å
141T93.5Very high93.8Very high16 Ų1645.1 Ų45.110%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-112.2123.2173.1-54.30000109.7K123 S124 D190 Y191 T192K123-T141 HydrophobicContact CB-CG2 4.31Å; K123-T141 WeakPolarHBondContact CB-O 3.33Å; K123-T141 HydrophobicContact CD-CG2 4.38Å; K123-T141 PolarHBondContact N-O 2.94Å; S124-T141 PolarHBondContact N-O 2.65Å; S124-T141 VanDerWaalsContact N-O 3.16Å; S124-T141 PolarHBondContact O-N 3.07Å; T141-D190 HydrophobicContact CG2-CB 4.43Å; T141-Y191 WeakPolarHBondContact CA-O 3.27Å; T141-T192 WeakPolarHBondContact CG2-OG1 3.42Å; T141-T192 WeakPolarHBondContact OG1-CG2 3.11Å; T141-T192 PolarHBondContact OG1-OG1 2.96Å
142N92.5Very high93.9Very high0 Ų038.5 Ų38.50%018%0.179CC..EExtended strand (participates in β ladder)trans-124.5152.6-176.5-77.4-19.1000110.2Y119 V122 D190 Y191 M222 Q243Y119-N142 HydrophobicContact CE2-CB 4.07Å; V122-N142 WeakPolarHBondContact CA-OD1 3.43Å; N142-D190 WeakPolarHBondContact O-CA 3.24Å; N142-Y191 HydrophobicContact CB-CD1 4.14Å; N142-Y191 HydrophobicContact CB-CE1 3.4Å; N142-Y191 VanDerWaalsContact CB-CE1 3.4Å; N142-Y191 HydrophobicContact CB-CE2 4.18Å; N142-Y191 VanDerWaalsContact CB-CZ 3.43Å; N142-Y191 WeakPolarHBondContact CB-OH 3.42Å; N142-Y191 PolarHBondContact N-O 3.46Å; N142-Y191 PolarHBondContact ND2-OH 3.42Å; N142-Y191 VanDerWaalsContact O-CD1 3.32Å; N142-Y191 WeakPolarHBondContact O-CD1 3.37Å; N142-Y191 PolarHBondContact O-N 2.87Å; N142-M222 WeakPolarHBondContact ND2-CE 3.47Å; N142-Q243 PolarHBondContact ND2-OE1 3.47Å; N142-Q243 PolarHBondContact OD1-OE1 3.33Å
143T92.4Very high94.1Very high16 Ų1631.9 Ų31.910%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-109.6128.4176.1-52.90000110.4V120 G121 Q188 D190V120-T143 HydrophobicContact CB-CG2 4.32Å; V120-T143 WeakPolarHBondContact CB-O 3.46Å; V120-T143 HydrophobicContact CG2-CG2 4.36Å; V120-T143 PolarHBondContact N-O 2.83Å; G121-T143 PolarHBondContact O-N 2.93Å; T143-Q188 HydrophobicContact CG2-CB 4.08Å; T143-Q188 HydrophobicContact CG2-CG 4.5Å; T143-D190 PolarHBondContact OG1-OD1 2.93Å
144L92.9Very high94.3Very high1 Ų125.9 Ų25.91%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-98.9152.4168.5-55.6171.3000109.1T118 I159 Q188 L189 Y191 V224 V226T118-L144 CarbonylContact O-C 3.53Å; T118-L144 WeakPolarHBondContact O-CA 3.39Å; L144-I159 HydrophobicContact CD1-CD1 4.28Å; L144-I159 HydrophobicContact CD1-CG2 4.19Å; L144-Q188 CarbonylContact O-C 3.55Å; L144-Q188 WeakPolarHBondContact O-CA 3.33Å; L144-L189 PolarHBondContact N-O 2.98Å; L144-L189 PolarHBondContact O-N 2.85Å; L144-Y191 HydrophobicContact CD1-CD1 3.88Å; L144-Y191 HydrophobicContact CD1-CE1 3.96Å; L144-Y191 HydrophobicContact CD2-CD1 4.31Å; L144-Y191 HydrophobicContact CD2-CE1 3.58Å; L144-Y191 HydrophobicContact CG-CD1 3.73Å; L144-Y191 HydrophobicContact CG-CE1 3.52Å; L144-V224 HydrophobicContact CD1-CG1 3.84Å; L144-V224 HydrophobicContact CD2-CG1 4.43Å; L144-V226 HydrophobicContact CD1-CG2 4.21Å
145N94.6Very high94.4Very high17 Ų1722.2 Ų22.29%0.09112%0.12CC..EExtended strand (participates in β ladder)trans-116.2126.9159.9-173.138.6000109T118 V120 E186 Q188T118-N145 PolarHBondContact N-O 2.8Å; T118-N145 PolarHBondContact O-N 2.88Å; T118-N145 PolarHBondContact OG1-O 3.28Å; V120-N145 HydrophobicContact CG2-CB 3.64Å; N145-E186 PolarHBondContact ND2-OE2 3.11Å; N145-Q188 HydrophobicContact CB-CG 3.99Å
146I95.1Very high94.4Very high0 Ų021.3 Ų21.30%012%0.115CC..EExtended strand (participates in β ladder)trans-114.7118-177.8-55.8171.2000107.7I115 V117 V156 I181 E186 R187 L189 V226I115-I146 HydrophobicContact CG2-CG2 3.85Å; V117-I146 HydrophobicContact CG2-CG1 4.48Å; I146-V156 HydrophobicContact CD1-CG1 4.43Å; I146-V156 HydrophobicContact CD1-CG2 3.96Å; I146-I181 HydrophobicContact CB-CD1 3.77Å; I146-I181 HydrophobicContact CG2-CD1 3.59Å; I146-E186 WeakPolarHBondContact O-CA 3.47Å; I146-R187 PolarHBondContact N-O 3.48Å; I146-R187 PolarHBondContact O-N 3.3Å; I146-L189 HydrophobicContact CD1-CD1 3.79Å; I146-V226 HydrophobicContact CD1-CG1 3.92Å; I146-V226 HydrophobicContact CD1-CG2 4.28Å
147T95.6Very high94.4Very high33 Ų3322.7 Ų22.720%0.20212%0.124CC..EExtended strand (participates in β ladder)trans-106.4127.8-177.2-50.60000110.3D116 E186D116-T147 PolarHBondContact N-O 3.28Å; D116-T147 PolarHBondContact O-N 2.87Å; T147-E186 HydrophobicContact CG2-CB 4.33Å
148N95.6Very high94.3Very high0 Ų020.6 Ų20.60%012%0.118CC..EExtended strand (participates in β ladder)trans-102.395.3-179.218029000112N150 Y152 I154 I181 M182 L184 D185N148-N150 PolarHBondContact O-N 3.27Å; N148-N150 VanDerWaalsContact O-N 3.15Å; N148-N150 VanDerWaalsContact OD1-CB 3.27Å; N148-N150 WeakPolarHBondContact OD1-CB 3.36Å; N148-N150 PolarHBondContact OD1-N 2.9Å; N148-N150 PolarHBondContact OD1-ND2 3.21Å; N148-Y152 PolarHBondContact ND2-O 3.27Å; N148-I154 HydrophobicContact CB-CD1 3.78Å; N148-I154 HydrophobicContact CB-CG1 4.05Å; N148-I181 HydrophobicContact CB-CB 4.41Å; N148-I181 HydrophobicContact CB-CG2 3.79Å; N148-M182 PolarHBondContact ND2-O 3.49Å; N148-L184 WeakPolarHBondContact O-CA 3.39Å; N148-L184 PolarHBondContact O-N 3.05Å; N148-D185 PolarHBondContact N-O 3.3Å
149N94.6Very high94.4Very high49 Ų4920.7 Ų20.726%0.26212%0.119SC..  trans-75.11.2179.3-59.3-43.7000114.3R113 S114 D116R113-N149 HydrophobicContact CB-CB 4.24Å; R113-N149 WeakPolarHBondContact CD-O 3.32Å; S114-N149 WeakPolarHBondContact O-CB 3.4Å; S114-N149 PolarHBondContact O-ND2 3.46Å; S114-N149 PolarHBondContact OG-ND2 3.05Å; D116-N149 VanDerWaalsContact CG-ND2 3.35Å; D116-N149 PolarHBondContact OD2-ND2 2.83Å
150N94.6Very high94.4Very high1 Ų120 Ų201%0.00511%0.114CC..SBendtrans-81.1151.5-179.2-64.7-80.4000112.5R113 N148 Y152 P183 L184R113-N150 PolarHBondContact N-OD1 2.79Å; R113-N150 PolarHBondContact O-ND2 3.35Å; R113-N150 VanDerWaalsContact O-ND2 3.07Å; R113-N150 PolarHBondContact O-OD1 2.62Å; N148-N150 PolarHBondContact O-N 3.27Å; N148-N150 VanDerWaalsContact O-N 3.15Å; N148-N150 VanDerWaalsContact OD1-CB 3.27Å; N148-N150 WeakPolarHBondContact OD1-CB 3.36Å; N148-N150 PolarHBondContact OD1-N 2.9Å; N148-N150 PolarHBondContact OD1-ND2 3.21Å; N150-Y152 HydrophobicContact CB-CD1 4.07Å; N150-Y152 HydrophobicContact CB-CD2 4.05Å; N150-Y152 HydrophobicContact CB-CE1 3.92Å; N150-Y152 HydrophobicContact CB-CE2 3.88Å; N150-Y152 HydrophobicContact CB-CG 4.15Å; N150-Y152 PolarHBondContact O-N 3.15Å; N150-Y152 PolarHBondContact OD1-OH 3.26Å; N150-P183 WeakPolarHBondContact O-CA 3.41Å; N150-L184 WeakPolarHBondContact O-CD1 3.4Å; N150-L184 PolarHBondContact O-N 2.96Å
151Y94.6Very high94.5Very high81 Ų8120 Ų2032%0.31812%0.115SC..SBendtrans-78.56.6172.4-63.1-70.1000113.8F108 F109 R113 L184F108-Y151 HydrophobicContact CD1-CE2 4.18Å; F108-Y151 HydrophobicContact CE1-CD2 4.46Å; F108-Y151 AromaticContact CE1-CE2 3.55Å; F108-Y151 HydrophobicContact CE1-CE2 3.55Å; F108-Y151 AromaticContact CE1-CZ 3.84Å; F108-Y151 AromaticContact CZ-CE2 3.97Å; F108-Y151 HydrophobicContact CZ-CE2 3.97Å; F109-Y151 HydrophobicContact CD1-CD1 4.2Å; F109-Y151 AromaticContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CE2 4.23Å; F109-Y151 AromaticContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CE1-CD1 4.35Å; F109-Y151 HydrophobicContact CE1-CD2 4.41Å; F109-Y151 HydrophobicContact CE1-CG 4.29Å; R113-Y151 PolarHBondContact NH1-OH 3.07Å; R113-Y151 VanDerWaalsContact NH2-CE2 3.28Å; R113-Y151 PolarHBondContact NH2-OH 3.32Å; Y151-L184 HydrophobicContact CD1-CD1 3.48Å; Y151-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y151-L184 HydrophobicContact CE1-CD1 3.84Å; Y151-L184 HydrophobicContact CE1-CD2 4.34Å; Y151-L184 HydrophobicContact CG-CD1 4.31Å
152Y93.8Very high94.6Very high20 Ų2020.6 Ų20.68%0.07812%0.116CC..SBendtrans-129153.4177.753.6-100000110.7N148 N150 I154 Y230 F231N148-Y152 PolarHBondContact ND2-O 3.27Å; N150-Y152 HydrophobicContact CB-CD1 4.07Å; N150-Y152 HydrophobicContact CB-CD2 4.05Å; N150-Y152 HydrophobicContact CB-CE1 3.92Å; N150-Y152 HydrophobicContact CB-CE2 3.88Å; N150-Y152 HydrophobicContact CB-CG 4.15Å; N150-Y152 PolarHBondContact O-N 3.15Å; N150-Y152 PolarHBondContact OD1-OH 3.26Å; Y152-I154 HydrophobicContact CD2-CG2 4.17Å; Y152-I154 HydrophobicContact CE2-CG2 4Å; Y152-Y230 HydrophobicContact CE2-CD1 4.26Å; Y152-Y230 AromaticContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CE2 4.44Å; Y152-Y230 AromaticContact CE2-CG 3.62Å; Y152-Y230 HydrophobicContact CE2-CG 3.62Å; Y152-Y230 AromaticContact CZ-CD2 3.93Å; Y152-Y230 WeakPolarHBondContact OH-CE2 3.37Å; Y152-F231 AromaticContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CZ 4.14Å; Y152-F231 AromaticContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CZ 4.33Å; Y152-F231 AromaticContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE2-CD2 4.45Å; Y152-F231 HydrophobicContact CE2-CE2 4.06Å; Y152-F231 AromaticContact CG-CE2 3.58Å; Y152-F231 HydrophobicContact CG-CE2 3.58Å; Y152-F231 AromaticContact CG-CZ 3.87Å; Y152-F231 HydrophobicContact CG-CZ 3.87Å
153A94.8Very high94.8Very high46 Ų4620.6 Ų20.638%0.3812%0.116SC..  trans-72.3141.7178.400000110.9V180 I181A153-V180 HydrophobicContact CB-CG1 4.15Å; A153-I181 WeakPolarHBondContact CA-O 3.37Å
154I95.1Very high94.9Very high0 Ų021.3 Ų21.30%012%0.118CC..EExtended strand (participates in β ladder)trans-114.6151.2177.961.6170000110.4I115 N148 Y152 V180 I181 T228 Y230I115-I154 HydrophobicContact CD1-CD1 3.79Å; I115-I154 HydrophobicContact CD1-CG2 4.15Å; I115-I154 HydrophobicContact CG1-CD1 4.02Å; I115-I154 HydrophobicContact CG2-CD1 3.71Å; N148-I154 HydrophobicContact CB-CD1 3.78Å; N148-I154 HydrophobicContact CB-CG1 4.05Å; Y152-I154 HydrophobicContact CD2-CG2 4.17Å; Y152-I154 HydrophobicContact CE2-CG2 4Å; I154-V180 WeakPolarHBondContact O-CA 3.36Å; I154-I181 HydrophobicContact CD1-CB 4.44Å; I154-I181 HydrophobicContact CD1-CD1 4.43Å; I154-I181 HydrophobicContact CG1-CB 3.94Å; I154-I181 PolarHBondContact N-O 3.49Å; I154-I181 PolarHBondContact O-N 2.97Å; I154-T228 HydrophobicContact CD1-CG2 4.17Å; I154-Y230 HydrophobicContact CG2-CD1 4.2Å
155S94.8Very high94.9Very high35 Ų3522.6 Ų22.625%0.24512%0.124CC..EExtended strand (participates in β ladder)trans-109.7112.5173.4-63.30000110.2T157 T228 S229S155-T157 PolarHBondContact O-N 2.82Å; S155-T228 CarbonylContact O-C 3.47Å; S155-T228 WeakPolarHBondContact O-CA 3.22Å; S155-S229 PolarHBondContact N-O 3Å; S155-S229 PolarHBondContact O-N 2.85Å
156V95.3Very high94.7Very high1 Ų126.2 Ų26.21%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-69.7111.5165.6-179.90000106.6I146 I159 T178 T179 I181 L189 V226 T228I146-V156 HydrophobicContact CD1-CG1 4.43Å; I146-V156 HydrophobicContact CD1-CG2 3.96Å; V156-I159 HydrophobicContact CG1-CD1 4.4Å; V156-I159 HydrophobicContact CG1-CG1 4.06Å; V156-T178 VanDerWaalsContact O-CA 3.27Å; V156-T178 WeakPolarHBondContact O-CA 3.16Å; V156-T179 PolarHBondContact N-O 3.41Å; V156-T179 PolarHBondContact O-N 3.32Å; V156-I181 HydrophobicContact CG2-CD1 3.79Å; V156-I181 HydrophobicContact CG2-CG1 4.33Å; V156-L189 HydrophobicContact CG1-CD1 4.2Å; V156-V226 HydrophobicContact CG1-CG1 3.89Å; V156-V226 HydrophobicContact CG2-CG1 4.49Å; V156-T228 HydrophobicContact CG2-CG2 4.11Å
157T93.3Very high94.4Very high30 Ų3035.1 Ų35.118%0.18419%0.189CC..EExtended strand (participates in β ladder)trans-90.7-39.4-174.562.80000112.4S155 T227 S229S155-T157 PolarHBondContact O-N 2.82Å; T157-T227 PolarHBondContact N-O 2.84Å; T157-T227 PolarHBondContact OG1-O 2.98Å; T157-S229 WeakPolarHBondContact CG2-OG 3.22Å
158N94.9Very high94.3Very high35 Ų3536.5 Ų36.519%0.18720%0.198CC..EExtended strand (participates in β ladder)trans-152.8145.7-172.9-56.6-94.3000109.4K174 F175 N176 T227N158-K174 VanDerWaalsContact OD1-CE 3.28Å; N158-K174 WeakPolarHBondContact OD1-CE 3.43Å; N158-K174 PolarHBondContact OD1-NZ 3.01Å; N158-F175 CarbonylContact C-O 3.53Å; N158-F175 WeakPolarHBondContact CA-O 3.44Å; N158-N176 PolarHBondContact OD1-OD1 3.14Å; N158-T227 PolarHBondContact N-O 2.73Å; N158-T227 PolarHBondContact O-N 3.09Å
159I94.8Very high94.3Very high3 Ų339.9 Ų39.92%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-121.1115.4166.5-56.3173.9000107.1L144 V156 F175 L189 V224L144-I159 HydrophobicContact CD1-CD1 4.28Å; L144-I159 HydrophobicContact CD1-CG2 4.19Å; V156-I159 HydrophobicContact CG1-CD1 4.4Å; V156-I159 HydrophobicContact CG1-CG1 4.06Å; I159-F175 HydrophobicContact CB-CB 4.37Å; I159-F175 HydrophobicContact CD1-CD1 4.37Å; I159-F175 PolarHBondContact N-O 3.04Å; I159-F175 PolarHBondContact O-N 3.44Å; I159-L189 HydrophobicContact CD1-CB 4.3Å; I159-L189 HydrophobicContact CD1-CD1 3.89Å; I159-V224 HydrophobicContact CG2-CG1 3.79Å
160T95.5Very high94.3Very high36 Ų3638 Ų3822%0.22121%0.208CC..EExtended strand (participates in β ladder)trans-94.4129.7170.6-52.30000107.7V224 T225T160-V224 CarbonylContact O-C 3.59Å; T160-V224 WeakPolarHBondContact O-CA 3.25Å; T160-T225 PolarHBondContact N-O 2.99Å; T160-T225 PolarHBondContact O-N 3.32Å
161A95.8Very high94.3Very high1 Ų138.4 Ų38.41%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-133.1141.9178.600000110.8K172 T173 Y191 V193 Q223 V224A161-K172 CarbonylContact O-C 3.58Å; A161-K172 WeakPolarHBondContact O-CA 3.39Å; A161-T173 HydrophobicContact CB-CG2 3.89Å; A161-T173 PolarHBondContact N-O 2.83Å; A161-T173 PolarHBondContact O-N 2.83Å; A161-Y191 HydrophobicContact CB-CD2 3.46Å; A161-Y191 VanDerWaalsContact CB-CD2 3.46Å; A161-Y191 HydrophobicContact CB-CE2 3.53Å; A161-V193 HydrophobicContact CB-CG2 3.82Å; A161-Q223 WeakPolarHBondContact CA-O 3.32Å; A161-V224 HydrophobicContact CB-CG2 4.3Å
162Q96Very high94.4Very high28 Ų2841.4 Ų41.413%0.13123%0.227CC..EExtended strand (participates in β ladder)trans-132.3143.2-178.8-172.3-177.371.200109.2Q164 V169 G171 Q223Q162-Q164 HydrophobicContact CG-CG 4.38Å; Q162-V169 HydrophobicContact CG-CG1 3.68Å; Q162-V169 HydrophobicContact CG-CG2 4.35Å; Q162-V169 VanDerWaalsContact NE2-CG2 3.33Å; Q162-G171 WeakPolarHBondContact CA-O 3.16Å; Q162-G171 WeakPolarHBondContact CG-O 3.09Å; Q162-Q223 HydrophobicContact CB-CB 4.45Å; Q162-Q223 PolarHBondContact N-O 2.83Å; Q162-Q223 PolarHBondContact O-N 2.88Å
163V96Very high94.5Very high0 Ų042.1 Ų42.10%023%0.234CC..EExtended strand (participates in β ladder)trans-115.9129.3170.5-166.90000108.4I140 I170 G171 V193 T195 V220 M222I140-V163 HydrophobicContact CD1-CG1 4.27Å; V163-I170 HydrophobicContact CB-CD1 4.49Å; V163-I170 HydrophobicContact CB-CG1 4.03Å; V163-I170 HydrophobicContact CG1-CD1 3.91Å; V163-I170 HydrophobicContact CG1-CG1 3.91Å; V163-I170 WeakPolarHBondContact O-CG1 3.39Å; V163-I170 PolarHBondContact O-N 2.81Å; V163-G171 PolarHBondContact N-O 2.89Å; V163-G171 PolarHBondContact O-N 2.9Å; V163-V193 HydrophobicContact CG2-CB 3.81Å; V163-V193 HydrophobicContact CG2-CG1 3.79Å; V163-V193 HydrophobicContact CG2-CG2 4.11Å; V163-T195 HydrophobicContact CB-CG2 3.64Å; V163-T195 HydrophobicContact CG1-CG2 4.14Å; V163-T195 HydrophobicContact CG2-CG2 3.45Å; V163-T195 VanDerWaalsContact CG2-CG2 3.45Å; V163-V220 HydrophobicContact CG1-CB 3.68Å; V163-V220 HydrophobicContact CG1-CG1 4.08Å; V163-V220 HydrophobicContact CG1-CG2 3.96Å; V163-M222 HydrophobicContact CB-SD 4.3Å; V163-M222 HydrophobicContact CG1-SD 3.98Å; V163-M222 HydrophobicContact CG2-CE 3.63Å; V163-M222 HydrophobicContact CG2-SD 3.66Å
164Q95.3Very high94.5Very high31 Ų3145.2 Ų45.215%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-116.8138173.8-51.5-179.71300110.2Q162 T168 V169 V220 M221Q162-Q164 HydrophobicContact CG-CG 4.38Å; Q164-T168 CarbonylContact C-O 3.59Å; Q164-T168 WeakPolarHBondContact CA-O 3.4Å; Q164-V169 HydrophobicContact CG-CG2 4.25Å; Q164-V220 WeakPolarHBondContact O-CA 3.36Å; Q164-M221 HydrophobicContact CB-CB 4.31Å; Q164-M221 PolarHBondContact N-O 3.39Å; Q164-M221 PolarHBondContact O-N 2.89Å
165F93.9Very high94.3Very high27 Ų2748.9 Ų48.912%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-116.5127.1167.4179.8-94.9000108.5K167 T168 I170 M201 M204 I218 V219 V220F165-K167 PolarHBondContact O-N 3.44Å; F165-K167 VanDerWaalsContact O-N 3.11Å; F165-T168 PolarHBondContact N-O 3.21Å; F165-T168 PolarHBondContact O-N 2.78Å; F165-I170 HydrophobicContact CB-CD1 3.99Å; F165-I170 HydrophobicContact CB-CG1 4.3Å; F165-I170 HydrophobicContact CB-CG2 3.89Å; F165-M201 HydrophobicContact CB-SD 4.44Å; F165-M201 HydrophobicContact CD1-CG 4.39Å; F165-M201 HydrophobicContact CD1-SD 3.8Å; F165-M204 HydrophobicContact CE1-CE 3.67Å; F165-M204 HydrophobicContact CE2-CE 4.12Å; F165-M204 HydrophobicContact CZ-CE 3.34Å; F165-I218 HydrophobicContact CD2-CD1 4.38Å; F165-I218 HydrophobicContact CE2-CB 4.1Å; F165-V219 VanDerWaalsContact CD2-O 3.28Å; F165-V219 WeakPolarHBondContact CD2-O 3.24Å; F165-V220 HydrophobicContact CD2-CG1 4.29Å
166S89.6Confident94Very high93 Ų9352.2 Ų52.265%0.6527%0.27SS*.THydrogen-bonded Turntrans49.237.1-177-168.40000114.7T168S166-T168 VanDerWaalsContact C-N 3.26Å; S166-T168 PolarHBondContact O-N 2.84Å
167K88.6Confident93.5Very high188 Ų18855.9 Ų55.982%0.81729%0.29SS*.THydrogen-bonded Turntrans72.3-4.2-173.3-48.8176.5-177.8177.20116.4F165F165-K167 PolarHBondContact O-N 3.44Å; F165-K167 VanDerWaalsContact O-N 3.11Å
168T93.5Very high93.1Very high62 Ų6259.2 Ų59.238%0.3831%0.31SS..EExtended strand (participates in β ladder)trans-89.4134.9173.2-56.20000110.2Q164 F165 S166 I170 M201Q164-T168 CarbonylContact C-O 3.59Å; Q164-T168 WeakPolarHBondContact CA-O 3.4Å; F165-T168 PolarHBondContact N-O 3.21Å; F165-T168 PolarHBondContact O-N 2.78Å; S166-T168 VanDerWaalsContact C-N 3.26Å; S166-T168 PolarHBondContact O-N 2.84Å; T168-I170 PolarHBondContact O-N 2.67Å; T168-M201 HydrophobicContact CG2-CE 3.57Å; T168-M201 HydrophobicContact CG2-SD 4.44Å
169V95.3Very high93Very high70 Ų7058.5 Ų58.542%0.42431%0.307SS..EExtended strand (participates in β ladder)trans-74.2110.5-179.3-179.40000109.9Q162 Q164Q162-V169 HydrophobicContact CG-CG1 3.68Å; Q162-V169 HydrophobicContact CG-CG2 4.35Å; Q162-V169 VanDerWaalsContact NE2-CG2 3.33Å; Q164-V169 HydrophobicContact CG-CG2 4.25Å
170I94.9Very high92.9Very high9 Ų961.4 Ų61.45%0.04633%0.325CS..EExtended strand (participates in β ladder)trans-96.1-12.2177.759.3162.3000113.3V163 F165 T168 T195 T196 I197 M201 V220V163-I170 HydrophobicContact CB-CD1 4.49Å; V163-I170 HydrophobicContact CB-CG1 4.03Å; V163-I170 HydrophobicContact CG1-CD1 3.91Å; V163-I170 HydrophobicContact CG1-CG1 3.91Å; V163-I170 WeakPolarHBondContact O-CG1 3.39Å; V163-I170 PolarHBondContact O-N 2.81Å; F165-I170 HydrophobicContact CB-CD1 3.99Å; F165-I170 HydrophobicContact CB-CG1 4.3Å; F165-I170 HydrophobicContact CB-CG2 3.89Å; T168-I170 PolarHBondContact O-N 2.67Å; I170-T195 HydrophobicContact CD1-CG2 4.43Å; I170-T195 HydrophobicContact CG1-CG2 4.39Å; I170-T195 CarbonylContact O-C 3.57Å; I170-T195 VanDerWaalsContact O-CA 3.24Å; I170-T195 WeakPolarHBondContact O-CA 3.22Å; I170-T195 WeakPolarHBondContact O-CB 3.25Å; I170-T196 PolarHBondContact O-N 2.96Å; I170-I197 HydrophobicContact CD1-CD1 4.23Å; I170-I197 HydrophobicContact CD1-CG1 4.01Å; I170-I197 HydrophobicContact CG2-CG1 4.35Å; I170-M201 HydrophobicContact CG2-CE 3.85Å; I170-M201 HydrophobicContact CG2-SD 3.87Å; I170-V220 HydrophobicContact CD1-CG1 4.17Å
171G95.3Very high92.9Very high11 Ų1159.7 Ų59.711%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-166.8153.5171.900000113.3Q162 V163Q162-G171 WeakPolarHBondContact CA-O 3.16Å; Q162-G171 WeakPolarHBondContact CG-O 3.09Å; V163-G171 PolarHBondContact N-O 2.89Å; V163-G171 PolarHBondContact O-N 2.9Å
172K95.9Very high92.9Very high144 Ų14464.8 Ų64.863%0.62634%0.339SS*.EExtended strand (participates in β ladder)trans-147.8132.5176-172.5174.9-177.3172.90109.7A161A161-K172 CarbonylContact O-C 3.58Å; A161-K172 WeakPolarHBondContact O-CA 3.39Å
173T95.8Very high92.9Very high35 Ų3566 Ų6622%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-131.5160.1176.7-1680000110.5A161 V193A161-T173 HydrophobicContact CB-CG2 3.89Å; A161-T173 PolarHBondContact N-O 2.83Å; A161-T173 PolarHBondContact O-N 2.83Å; T173-V193 HydrophobicContact CG2-CB 4.13Å; T173-V193 HydrophobicContact CG2-CG1 3.87Å; T173-V193 HydrophobicContact CG2-CG2 3.8Å
174K94.6Very high92.8Very high110 Ų11071.1 Ų71.148%0.47838%0.376SS..EExtended strand (participates in β ladder)trans-136.3112.8169.9-165.8-168.2176.2-127.70109.3N158 N176N158-K174 VanDerWaalsContact OD1-CE 3.28Å; N158-K174 WeakPolarHBondContact OD1-CE 3.43Å; N158-K174 PolarHBondContact OD1-NZ 3.01Å; K174-N176 WeakPolarHBondContact CD-OD1 3.46Å; K174-N176 VanDerWaalsContact CE-OD1 3.25Å; K174-N176 WeakPolarHBondContact CE-OD1 3.49Å; K174-N176 WeakPolarHBondContact CG-OD1 3.38Å; K174-N176 PolarHBondContact NZ-OD1 2.96Å
175F91.5Very high92.8Very high78 Ų7872.6 Ų72.634%0.34239%0.385SS..EExtended strand (participates in β ladder)trans-95.6106.4-179-173.8-114.6000109.4N158 I159 N177N158-F175 CarbonylContact C-O 3.53Å; N158-F175 WeakPolarHBondContact CA-O 3.44Å; I159-F175 HydrophobicContact CB-CB 4.37Å; I159-F175 HydrophobicContact CD1-CD1 4.37Å; I159-F175 PolarHBondContact N-O 3.04Å; I159-F175 PolarHBondContact O-N 3.44Å; F175-N177 HydrophobicContact CD1-CB 3.92Å; F175-N177 HydrophobicContact CE1-CB 3.42Å; F175-N177 VanDerWaalsContact CE1-CB 3.42Å; F175-N177 HydrophobicContact CE2-CB 4.34Å; F175-N177 HydrophobicContact CZ-CB 3.67Å; F175-N177 PolarHBondContact O-N 2.91Å
176N88.4Confident92.9Very high105 Ų10576.8 Ų76.856%0.56141%0.405SS*.  trans-97.274.7-178.5-53.7-22.9000109.6N158 K174N158-N176 PolarHBondContact OD1-OD1 3.14Å; K174-N176 WeakPolarHBondContact CD-OD1 3.46Å; K174-N176 VanDerWaalsContact CE-OD1 3.25Å; K174-N176 WeakPolarHBondContact CE-OD1 3.49Å; K174-N176 WeakPolarHBondContact CG-OD1 3.38Å; K174-N176 PolarHBondContact NZ-OD1 2.96Å
177N83.8Confident93.1Very high78 Ų7877.9 Ų77.942%0.41740%0.395SS..  trans-124.4106.5178-172.14.9000110.5F175 T179F175-N177 HydrophobicContact CD1-CB 3.92Å; F175-N177 HydrophobicContact CE1-CB 3.42Å; F175-N177 VanDerWaalsContact CE1-CB 3.42Å; F175-N177 HydrophobicContact CE2-CB 4.34Å; F175-N177 HydrophobicContact CZ-CB 3.67Å; F175-N177 PolarHBondContact O-N 2.91Å; N177-T179 PolarHBondContact O-N 3.17Å; N177-T179 VanDerWaalsContact O-N 3.14Å
178T85.1Confident93.3Very high99 Ų9974.6 Ų74.661%0.60738%0.382SS*.  trans-70.6107.9-177.3-52.30000110.6V156V156-T178 VanDerWaalsContact O-CA 3.27Å; V156-T178 WeakPolarHBondContact O-CA 3.16Å
179T92.6Very high93.2Very high20 Ų2072.5 Ų72.512%0.12337%0.369CS..EExtended strand (participates in β ladder)trans-120.5132.3177.251.70000110.7V156 N177 L189V156-T179 PolarHBondContact N-O 3.41Å; V156-T179 PolarHBondContact O-N 3.32Å; N177-T179 PolarHBondContact O-N 3.17Å; N177-T179 VanDerWaalsContact O-N 3.14Å; T179-L189 HydrophobicContact CG2-CD2 4.07Å; T179-L189 WeakPolarHBondContact OG1-CD1 3.35Å
180V94.2Very high93.1Very high65 Ų6572.2 Ų72.239%0.39437%0.365SS..EExtended strand (participates in β ladder)trans-92.6135.7178.3-1770000109.2A153 I154 R187A153-V180 HydrophobicContact CB-CG1 4.15Å; I154-V180 WeakPolarHBondContact O-CA 3.36Å; V180-R187 PolarHBondContact O-NH1 3.44Å
181I95.5Very high93Very high0 Ų071.9 Ų71.90%036%0.363CS..EExtended strand (participates in β ladder)trans-115.1132.5172.3-51.4179.7000107.1I146 N148 A153 I154 V156 D185 R187I146-I181 HydrophobicContact CB-CD1 3.77Å; I146-I181 HydrophobicContact CG2-CD1 3.59Å; N148-I181 HydrophobicContact CB-CB 4.41Å; N148-I181 HydrophobicContact CB-CG2 3.79Å; A153-I181 WeakPolarHBondContact CA-O 3.37Å; I154-I181 HydrophobicContact CD1-CB 4.44Å; I154-I181 HydrophobicContact CD1-CD1 4.43Å; I154-I181 HydrophobicContact CG1-CB 3.94Å; I154-I181 PolarHBondContact N-O 3.49Å; I154-I181 PolarHBondContact O-N 2.97Å; V156-I181 HydrophobicContact CG2-CD1 3.79Å; V156-I181 HydrophobicContact CG2-CG1 4.33Å; I181-D185 HydrophobicContact CG2-CB 4.09Å; I181-D185 WeakPolarHBondContact CG2-O 3.37Å; I181-R187 HydrophobicContact CD1-CB 3.86Å; I181-R187 HydrophobicContact CG1-CB 3.82Å; I181-R187 HydrophobicContact CG2-CB 4.37Å
182M96Very high93Very high107 Ų10774.2 Ų74.253%0.52738%0.375SS..  trans-75.5170.7-174.8-63.7-60.9-68.900111.4N148 L184 D185N148-M182 PolarHBondContact ND2-O 3.49Å; M182-L184 PolarHBondContact O-N 3.32Å; M182-D185 HydrophobicContact CB-CB 3.7Å; M182-D185 WeakPolarHBondContact CB-OD2 3.47Å; M182-D185 PolarHBondContact N-OD2 2.89Å; M182-D185 WeakPolarHBondContact O-CB 3.18Å; M182-D185 PolarHBondContact O-N 3.27Å
183P95Very high93Very high53 Ų5367.4 Ų67.434%0.34435%0.345SS..THydrogen-bonded Turntrans-61.3132.2172.2-21.933.7000111.5N150 D185N150-P183 WeakPolarHBondContact O-CA 3.41Å; P183-D185 PolarHBondContact O-N 2.96Å
184L93.9Very high93Very high108 Ų10869.2 Ų69.257%0.56536%0.358SS*.THydrogen-bonded Turntrans55.434.1179.9-65.186.1000113.7N148 N150 Y151 M182N148-L184 WeakPolarHBondContact O-CA 3.39Å; N148-L184 PolarHBondContact O-N 3.05Å; N150-L184 WeakPolarHBondContact O-CD1 3.4Å; N150-L184 PolarHBondContact O-N 2.96Å; Y151-L184 HydrophobicContact CD1-CD1 3.48Å; Y151-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y151-L184 HydrophobicContact CE1-CD1 3.84Å; Y151-L184 HydrophobicContact CE1-CD2 4.34Å; Y151-L184 HydrophobicContact CG-CD1 4.31Å; M182-L184 PolarHBondContact O-N 3.32Å
185D95.8Very high93.1Very high62 Ų6264.1 Ų64.133%0.33234%0.336SS..  trans-117.7155.7-176.4-174.534.7000110.6N148 I181 M182 P183N148-D185 PolarHBondContact N-O 3.3Å; I181-D185 HydrophobicContact CG2-CB 4.09Å; I181-D185 WeakPolarHBondContact CG2-O 3.37Å; M182-D185 HydrophobicContact CB-CB 3.7Å; M182-D185 WeakPolarHBondContact CB-OD2 3.47Å; M182-D185 PolarHBondContact N-OD2 2.89Å; M182-D185 WeakPolarHBondContact O-CB 3.18Å; M182-D185 PolarHBondContact O-N 3.27Å; P183-D185 PolarHBondContact O-N 2.96Å
186E94.6Very high93.2Very high115 Ų11563.4 Ų63.454%0.53734%0.338SS..EExtended strand (participates in β ladder)trans-121.7146.7177.266.3170.6179.900111.3N145 I146 T147N145-E186 PolarHBondContact ND2-OE2 3.11Å; I146-E186 WeakPolarHBondContact O-CA 3.47Å; T147-E186 HydrophobicContact CG2-CB 4.33Å
187R93.8Very high93.5Very high116 Ų11658.4 Ų58.444%0.43831%0.311SS..EExtended strand (participates in β ladder)trans-142.8124.1-178.3-159.4167.9-169.4140.812.6112.6I146 V180 I181I146-R187 PolarHBondContact N-O 3.48Å; I146-R187 PolarHBondContact O-N 3.3Å; V180-R187 PolarHBondContact O-NH1 3.44Å; I181-R187 HydrophobicContact CD1-CB 3.86Å; I181-R187 HydrophobicContact CG1-CB 3.82Å; I181-R187 HydrophobicContact CG2-CB 4.37Å
188Q93.7Very high93.9Very high119 Ų11955.3 Ų55.356%0.55630%0.296SS*.EExtended strand (participates in β ladder)trans-80.7135.8171.8-65.6-176.212.400111.5T143 L144 N145T143-Q188 HydrophobicContact CG2-CB 4.08Å; T143-Q188 HydrophobicContact CG2-CG 4.5Å; L144-Q188 CarbonylContact O-C 3.55Å; L144-Q188 WeakPolarHBondContact O-CA 3.33Å; N145-Q188 HydrophobicContact CB-CG 3.99Å
189L92.3Very high94Very high19 Ų1957.3 Ų57.310%0.09930%0.304CS..EExtended strand (participates in β ladder)trans-134.9129.5177-64.7178.7000110.2L144 I146 V156 I159 T179L144-L189 PolarHBondContact N-O 2.98Å; L144-L189 PolarHBondContact O-N 2.85Å; I146-L189 HydrophobicContact CD1-CD1 3.79Å; V156-L189 HydrophobicContact CG1-CD1 4.2Å; I159-L189 HydrophobicContact CD1-CB 4.3Å; I159-L189 HydrophobicContact CD1-CD1 3.89Å; T179-L189 HydrophobicContact CG2-CD2 4.07Å; T179-L189 WeakPolarHBondContact OG1-CD1 3.35Å
190D92.9Very high93.8Very high63 Ų6364.3 Ų64.334%0.33734%0.335SS..EExtended strand (participates in β ladder)trans-84.2142.5171.6-61-42.4000110.8K123 T141 N142 T143K123-D190 WeakPolarHBondContact CD-OD1 3.27Å; K123-D190 VanDerWaalsContact NZ-CG 3.32Å; K123-D190 IonicContact NZ-OD1 2.62Å; K123-D190 PolarHBondContact NZ-OD1 2.9Å; K123-D190 IonicContact NZ-OD2 3.35Å; K123-D190 PolarHBondContact NZ-OD2 2.84Å; T141-D190 HydrophobicContact CG2-CB 4.43Å; N142-D190 WeakPolarHBondContact O-CA 3.24Å; T143-D190 PolarHBondContact OG1-OD1 2.93Å
191Y92.8Very high93.6Very high3 Ų362.3 Ų62.31%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-135.2139.3168.370.1-77.2000110.3T141 N142 L144 A161 V193 M222 V224T141-Y191 WeakPolarHBondContact CA-O 3.27Å; N142-Y191 HydrophobicContact CB-CD1 4.14Å; N142-Y191 HydrophobicContact CB-CE1 3.4Å; N142-Y191 VanDerWaalsContact CB-CE1 3.4Å; N142-Y191 HydrophobicContact CB-CE2 4.18Å; N142-Y191 VanDerWaalsContact CB-CZ 3.43Å; N142-Y191 WeakPolarHBondContact CB-OH 3.42Å; N142-Y191 PolarHBondContact N-O 3.46Å; N142-Y191 PolarHBondContact ND2-OH 3.42Å; N142-Y191 VanDerWaalsContact O-CD1 3.32Å; N142-Y191 WeakPolarHBondContact O-CD1 3.37Å; N142-Y191 PolarHBondContact O-N 2.87Å; L144-Y191 HydrophobicContact CD1-CD1 3.88Å; L144-Y191 HydrophobicContact CD1-CE1 3.96Å; L144-Y191 HydrophobicContact CD2-CD1 4.31Å; L144-Y191 HydrophobicContact CD2-CE1 3.58Å; L144-Y191 HydrophobicContact CG-CD1 3.73Å; L144-Y191 HydrophobicContact CG-CE1 3.52Å; A161-Y191 HydrophobicContact CB-CD2 3.46Å; A161-Y191 VanDerWaalsContact CB-CD2 3.46Å; A161-Y191 HydrophobicContact CB-CE2 3.53Å; Y191-V193 HydrophobicContact CD2-CG2 3.8Å; Y191-V193 HydrophobicContact CE2-CG2 3.81Å; Y191-M222 HydrophobicContact CE2-CE 3.75Å; Y191-V224 HydrophobicContact CE1-CG2 4.33Å; Y191-V224 HydrophobicContact CE2-CG2 3.94Å; Y191-V224 WeakPolarHBondContact OH-CG2 3.23Å
192T94.2Very high93.2Very high60 Ų6064.4 Ų64.437%0.36834%0.336SS..EExtended strand (participates in β ladder)trans-114.8123.9180-570000109.9T139 I140 T141T139-T192 HydrophobicContact CG2-CG2 3.41Å; T139-T192 VanDerWaalsContact CG2-CG2 3.41Å; I140-T192 CarbonylContact O-C 3.52Å; I140-T192 WeakPolarHBondContact O-CA 3.42Å; T141-T192 WeakPolarHBondContact CG2-OG1 3.42Å; T141-T192 WeakPolarHBondContact OG1-CG2 3.11Å; T141-T192 PolarHBondContact OG1-OG1 2.96Å
193V96.3Very high93Very high0 Ų065.5 Ų65.50%034%0.335CS..EExtended strand (participates in β ladder)trans-109.2114.1174.5-156.30000109.2I140 A161 V163 T173 Y191 T195 M222I140-V193 PolarHBondContact N-O 2.98Å; I140-V193 PolarHBondContact O-N 3.35Å; A161-V193 HydrophobicContact CB-CG2 3.82Å; V163-V193 HydrophobicContact CG2-CB 3.81Å; V163-V193 HydrophobicContact CG2-CG1 3.79Å; V163-V193 HydrophobicContact CG2-CG2 4.11Å; T173-V193 HydrophobicContact CG2-CB 4.13Å; T173-V193 HydrophobicContact CG2-CG1 3.87Å; T173-V193 HydrophobicContact CG2-CG2 3.8Å; Y191-V193 HydrophobicContact CD2-CG2 3.8Å; Y191-V193 HydrophobicContact CE2-CG2 3.81Å; V193-T195 HydrophobicContact CB-CG2 4.49Å; V193-T195 HydrophobicContact CG1-CG2 4.31Å; V193-M222 HydrophobicContact CG2-CE 3.95Å
194P96.1Very high92.9Very high74 Ų7463.5 Ų63.548%0.48132%0.321SS..EExtended strand (participates in β ladder)trans-72136.2163.531.2-32.3000108.9
195T95.6Very high92.9Very high3 Ų359.2 Ų59.22%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-134.9151.6179.873.40000110.4Y137 L138 I140 V163 I170 V193Y137-T195 WeakPolarHBondContact CA-O 3.48Å; L138-T195 WeakPolarHBondContact CB-OG1 3.33Å; L138-T195 PolarHBondContact N-O 2.9Å; L138-T195 WeakPolarHBondContact O-CB 3.47Å; L138-T195 PolarHBondContact O-N 3.06Å; L138-T195 PolarHBondContact O-OG1 3.44Å; I140-T195 HydrophobicContact CD1-CG2 4.4Å; V163-T195 HydrophobicContact CB-CG2 3.64Å; V163-T195 HydrophobicContact CG1-CG2 4.14Å; V163-T195 HydrophobicContact CG2-CG2 3.45Å; V163-T195 VanDerWaalsContact CG2-CG2 3.45Å; I170-T195 HydrophobicContact CD1-CG2 4.43Å; I170-T195 HydrophobicContact CG1-CG2 4.39Å; I170-T195 CarbonylContact O-C 3.57Å; I170-T195 VanDerWaalsContact O-CA 3.24Å; I170-T195 WeakPolarHBondContact O-CA 3.22Å; I170-T195 WeakPolarHBondContact O-CB 3.25Å; V193-T195 HydrophobicContact CB-CG2 4.49Å; V193-T195 HydrophobicContact CG1-CG2 4.31Å
196T95Very high92.7Very high62 Ų6259.7 Ų59.738%0.3830%0.301SS..EExtended strand (participates in β ladder)trans-132.2120.7-176.5-56.30000108.6I135 Y137 I170 A198I135-T196 HydrophobicContact CG2-CG2 3.55Å; Y137-T196 HydrophobicContact CD1-CG2 3.97Å; Y137-T196 HydrophobicContact CE1-CG2 3.75Å; I170-T196 PolarHBondContact O-N 2.96Å; T196-A198 HydrophobicContact CG2-CB 4.17Å
197I94Very high92.6Very high1 Ų158.1 Ų58.11%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-103.7111.1173.4-51.4-179.6000107.2V136 L138 I170 M201 M204 I218V136-I197 HydrophobicContact CB-CB 4.33Å; V136-I197 PolarHBondContact N-O 2.87Å; V136-I197 VanDerWaalsContact N-O 3.07Å; V136-I197 PolarHBondContact O-N 3.43Å; L138-I197 HydrophobicContact CD1-CD1 3.81Å; I170-I197 HydrophobicContact CD1-CD1 4.23Å; I170-I197 HydrophobicContact CD1-CG1 4.01Å; I170-I197 HydrophobicContact CG2-CG1 4.35Å; I197-M201 HydrophobicContact CG2-CB 3.48Å; I197-M201 VanDerWaalsContact CG2-CB 3.48Å; I197-M204 HydrophobicContact CD1-CG 4.25Å; I197-M204 HydrophobicContact CG2-CB 3.79Å; I197-M204 HydrophobicContact CG2-CG 4.13Å; I197-I218 HydrophobicContact CD1-CD1 3.8Å
198A91.5Very high92.6Very high12 Ų1252.7 Ų52.710%0.09927%0.27CS..  trans-147-174.3-171.700000111I135 T196 E200 M201I135-A198 HydrophobicContact CD1-CB 4.23Å; I135-A198 HydrophobicContact CG1-CB 3.96Å; I135-A198 HydrophobicContact CG2-CB 4.34Å; T196-A198 HydrophobicContact CG2-CB 4.17Å; A198-E200 PolarHBondContact O-N 2.92Å; A198-M201 WeakPolarHBondContact O-CA 3.28Å; A198-M201 PolarHBondContact O-N 3.37Å
199D88.9Confident92.5Very high142 Ų14249.7 Ų49.776%0.75926%0.26SS*.G310 helixtrans52.4-117.8170.9-52.1-41.9000113.2M201 S202D199-M201 PolarHBondContact O-N 3.36Å; D199-M201 VanDerWaalsContact O-N 3.1Å; D199-S202 WeakPolarHBondContact O-CB 3.21Å; D199-S202 PolarHBondContact O-N 3.11Å; D199-S202 PolarHBondContact O-OG 3.23Å
200E87.7Confident92.5Very high166 Ų16652 Ų5278%0.77627%0.272SS*.G310 helixtrans-59-20.9178-60.6-176.6165.900113.4A198 Y203A198-E200 PolarHBondContact O-N 2.92Å; E200-Y203 WeakPolarHBondContact O-CD1 3.25Å; E200-Y203 VanDerWaalsContact O-CE1 3.32Å; E200-Y203 WeakPolarHBondContact O-CE1 3.34Å
201M90.3Very high92.3Very high23 Ų2354.8 Ų54.811%0.11329%0.294CS..G310 helixtrans-102.69.2178.8-63.5166.8-78.700113.1F165 T168 I170 I197 A198 D199 Y203 M204F165-M201 HydrophobicContact CB-SD 4.44Å; F165-M201 HydrophobicContact CD1-CG 4.39Å; F165-M201 HydrophobicContact CD1-SD 3.8Å; T168-M201 HydrophobicContact CG2-CE 3.57Å; T168-M201 HydrophobicContact CG2-SD 4.44Å; I170-M201 HydrophobicContact CG2-CE 3.85Å; I170-M201 HydrophobicContact CG2-SD 3.87Å; I197-M201 HydrophobicContact CG2-CB 3.48Å; I197-M201 VanDerWaalsContact CG2-CB 3.48Å; A198-M201 WeakPolarHBondContact O-CA 3.28Å; A198-M201 PolarHBondContact O-N 3.37Å; D199-M201 PolarHBondContact O-N 3.36Å; D199-M201 VanDerWaalsContact O-N 3.1Å; M201-Y203 PolarHBondContact O-N 2.94Å; M201-Y203 VanDerWaalsContact O-N 3.11Å; M201-M204 WeakPolarHBondContact O-CB 3.39Å; M201-M204 PolarHBondContact O-N 2.92Å
202S87.9Confident92.1Very high44 Ų4460.3 Ų60.331%0.30833%0.328SS..THydrogen-bonded Turntrans-58.3-21.6178540000114.6D199 M204 F205D199-S202 WeakPolarHBondContact O-CB 3.21Å; D199-S202 PolarHBondContact O-N 3.11Å; D199-S202 PolarHBondContact O-OG 3.23Å; S202-M204 PolarHBondContact O-N 3.25Å; S202-F205 WeakPolarHBondContact O-CB 3.33Å; S202-F205 PolarHBondContact O-N 2.9Å; S202-F205 VanDerWaalsContact O-N 3.11Å
203Y90.4Very high91.7Very high130 Ų13060.3 Ų60.351%0.5133%0.325SS..Hα-helixtrans-59.9-22.8170.268.3-95.2000113E200 M201 F205 D206 Y207E200-Y203 WeakPolarHBondContact O-CD1 3.25Å; E200-Y203 VanDerWaalsContact O-CE1 3.32Å; E200-Y203 WeakPolarHBondContact O-CE1 3.34Å; M201-Y203 PolarHBondContact O-N 2.94Å; M201-Y203 VanDerWaalsContact O-N 3.11Å; Y203-F205 PolarHBondContact O-N 3.49Å; Y203-D206 PolarHBondContact O-N 2.93Å; Y203-Y207 PolarHBondContact O-N 2.97Å
204M92.6Very high91Very high11 Ų1169.9 Ų69.95%0.05437%0.367CS..Hα-helixtrans-65.8-27176.9-163.35762.300112.2F165 I197 M201 S202 Y207 C208 I218F165-M204 HydrophobicContact CE1-CE 3.67Å; F165-M204 HydrophobicContact CE2-CE 4.12Å; F165-M204 HydrophobicContact CZ-CE 3.34Å; I197-M204 HydrophobicContact CD1-CG 4.25Å; I197-M204 HydrophobicContact CG2-CB 3.79Å; I197-M204 HydrophobicContact CG2-CG 4.13Å; M201-M204 WeakPolarHBondContact O-CB 3.39Å; M201-M204 PolarHBondContact O-N 2.92Å; S202-M204 PolarHBondContact O-N 3.25Å; M204-Y207 PolarHBondContact O-N 2.96Å; M204-Y207 HydrophobicContact SD-CD1 3.66Å; M204-Y207 HydrophobicContact SD-CE1 4.48Å; M204-Y207 HydrophobicContact SD-CG 4.3Å; M204-C208 WeakPolarHBondContact O-CB 3.29Å; M204-C208 PolarHBondContact O-N 3.24Å; M204-C208 PolarHBondContact O-SG 2.94Å; M204-I218 HydrophobicContact CE-CG2 4.41Å; M204-I218 HydrophobicContact SD-CG2 3.66Å
205F93.8Very high90.6Very high18 Ų1870 Ų708%0.07937%0.366CS..Hα-helixtrans-61.4-45.7174.4175.6-84.6000111.8Y129 N130 Q131 R134 V136 S202 Y203 Y207 C208 T209Y129-F205 HydrophobicContact CD1-CD2 4.46Å; Y129-F205 HydrophobicContact CD1-CE2 4.43Å; N130-F205 WeakPolarHBondContact O-CE2 3.15Å; Q131-F205 HydrophobicContact CB-CZ 4.24Å; Q131-F205 HydrophobicContact CG-CE2 4.49Å; Q131-F205 HydrophobicContact CG-CZ 4.09Å; R134-F205 HydrophobicContact CB-CB 4.09Å; R134-F205 HydrophobicContact CB-CD1 4.15Å; R134-F205 HydrophobicContact CB-CD2 4.43Å; R134-F205 HydrophobicContact CB-CG 3.97Å; R134-F205 HydrophobicContact CG-CD1 4.05Å; R134-F205 HydrophobicContact CG-CE1 4.38Å; R134-F205 HydrophobicContact CG-CG 4.37Å; R134-F205 WeakPolarHBondContact O-CB 3.46Å; V136-F205 HydrophobicContact CG2-CB 4.09Å; V136-F205 HydrophobicContact CG2-CD2 4.28Å; S202-F205 WeakPolarHBondContact O-CB 3.33Å; S202-F205 PolarHBondContact O-N 2.9Å; S202-F205 VanDerWaalsContact O-N 3.11Å; Y203-F205 PolarHBondContact O-N 3.49Å; F205-Y207 PolarHBondContact O-N 3.44Å; F205-C208 PolarHBondContact O-N 2.88Å; F205-T209 HydrophobicContact CD2-CG2 4.35Å; F205-T209 HydrophobicContact CE1-CG2 4.27Å; F205-T209 HydrophobicContact CE2-CG2 4.07Å; F205-T209 HydrophobicContact CZ-CG2 4Å; F205-T209 WeakPolarHBondContact O-CB 3.3Å; F205-T209 WeakPolarHBondContact O-CG2 3.39Å; F205-T209 PolarHBondContact O-N 3.12Å; F205-T209 PolarHBondContact O-OG1 3.27Å
206D92.4Very high90.4Very high72 Ų7270.4 Ų70.439%0.38537%0.368SS..Hα-helixtrans-67.8-24.8178.7-67.9-30.9000111.7R134 Y203 L210R134-D206 IonicContact CZ-OD1 3.01Å; R134-D206 IonicContact CZ-OD2 3.57Å; R134-D206 VanDerWaalsContact NH1-CG 3.29Å; R134-D206 IonicContact NH1-OD1 3.57Å; R134-D206 PolarHBondContact NH1-OD1 3.39Å; R134-D206 IonicContact NH1-OD2 3.35Å; R134-D206 PolarHBondContact NH1-OD2 3.32Å; R134-D206 IonicContact NH2-OD1 3.18Å; R134-D206 PolarHBondContact NH2-OD1 3.14Å; R134-D206 IonicContact NH2-OD2 2.7Å; Y203-D206 PolarHBondContact O-N 2.93Å; D206-L210 WeakPolarHBondContact O-CB 3.29Å
207Y92.9Very high90.2Very high83 Ų8371.4 Ų71.433%0.32537%0.37SS..Hα-helixtrans-74.7-59.1170.1174.9-104.5000111.7Y203 M204 F205 T209 L210 I213 H216 I218Y203-Y207 PolarHBondContact O-N 2.97Å; M204-Y207 PolarHBondContact O-N 2.96Å; M204-Y207 HydrophobicContact SD-CD1 3.66Å; M204-Y207 HydrophobicContact SD-CE1 4.48Å; M204-Y207 HydrophobicContact SD-CG 4.3Å; F205-Y207 PolarHBondContact O-N 3.44Å; Y207-T209 PolarHBondContact O-N 3.49Å; Y207-L210 WeakPolarHBondContact O-CB 3.24Å; Y207-L210 PolarHBondContact O-N 3.45Å; Y207-I213 HydrophobicContact CE2-CD1 4.13Å; Y207-H216 HydrophobicContact CD1-CB 4.33Å; Y207-H216 HydrophobicContact CE1-CB 3.79Å; Y207-H216 PolarHBondContact O-CD2 3.19Å; Y207-H216 PolarHBondContact O-NE2 3.34Å; Y207-I218 HydrophobicContact CD1-CG2 4.41Å; Y207-I218 HydrophobicContact CE1-CG2 4.07Å
208C92.6Very high90.1Very high2 Ų271.7 Ų71.71%0.01437%0.372CS..Hα-helixtrans-61.6-28.3-174.2-59.20000113.5Y129 V136 M204 F205 C247Y129-C208 HydrophobicContact CE1-CB 4Å; Y129-C208 PolarHBondContact OH-O 3.3Å; V136-C208 HydrophobicContact CG2-CB 4.33Å; M204-C208 WeakPolarHBondContact O-CB 3.29Å; M204-C208 PolarHBondContact O-N 3.24Å; M204-C208 PolarHBondContact O-SG 2.94Å; F205-C208 PolarHBondContact O-N 2.88Å; C208-C247 HydrophobicContact CB-CB 4Å; C208-C247 WeakPolarHBondContact CB-O 3.12Å; C208-C247 WeakPolarHBondContact CB-SG 3.2Å; C208-C247 WeakPolarHBondContact SG-CB 3.49Å; C208-C247 CovalentContact SG-SG 2.03Å; C208-C247 PolarHBondContact SG-SG 3.29Å
209T92.7Very high90.1Very high56 Ų5674 Ų7434%0.34439%0.385SS..THydrogen-bonded Turntrans-91.40.5177.461.40000114Y129 F205 Y207 P211Y129-T209 HydrophobicContact CD1-CG2 3.82Å; Y129-T209 HydrophobicContact CE1-CG2 3.7Å; Y129-T209 HydrophobicContact CG-CG2 4.31Å; F205-T209 HydrophobicContact CD2-CG2 4.35Å; F205-T209 HydrophobicContact CE1-CG2 4.27Å; F205-T209 HydrophobicContact CE2-CG2 4.07Å; F205-T209 HydrophobicContact CZ-CG2 4Å; F205-T209 WeakPolarHBondContact O-CB 3.3Å; F205-T209 WeakPolarHBondContact O-CG2 3.39Å; F205-T209 PolarHBondContact O-N 3.12Å; F205-T209 PolarHBondContact O-OG1 3.27Å; Y207-T209 PolarHBondContact O-N 3.49Å; T209-P211 VanDerWaalsContact O-CD 3.31Å; T209-P211 WeakPolarHBondContact O-CD 3.27Å
210L92.6Very high90.4Very high67 Ų6767.3 Ų67.335%0.35135%0.349SS..  trans-69.4113.2-171.6-167.571.2000112.1D206 Y207 T212 I213 H216D206-L210 WeakPolarHBondContact O-CB 3.29Å; Y207-L210 WeakPolarHBondContact O-CB 3.24Å; Y207-L210 PolarHBondContact O-N 3.45Å; L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 WeakPolarHBondContact CD2-OG1 3.36Å; L210-T212 WeakPolarHBondContact CG-OG1 3.33Å; L210-T212 PolarHBondContact O-N 3.45Å; L210-T212 VanDerWaalsContact O-N 3.17Å; L210-I213 HydrophobicContact CD2-CD1 3.97Å; L210-I213 HydrophobicContact CD2-CG1 4.27Å; L210-I213 PolarHBondContact O-N 2.92Å; L210-H216 PolarHBondContact O-NE2 3.04Å
211P88.3Confident90.7Very high121 Ų12160.7 Ų60.779%0.78632%0.318SS*.THydrogen-bonded Turntrans-75.9-6.7-169.531.3-37.4000114.7T209 I213T209-P211 VanDerWaalsContact O-CD 3.31Å; T209-P211 WeakPolarHBondContact O-CD 3.27Å; P211-I213 VanDerWaalsContact C-N 3.33Å
212T88.3Confident90.9Very high119 Ų11959.7 Ų59.773%0.7331%0.314SS*.THydrogen-bonded Turntrans-80.3-17174.955.30000112.8L210L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 WeakPolarHBondContact CD2-OG1 3.36Å; L210-T212 WeakPolarHBondContact CG-OG1 3.33Å; L210-T212 PolarHBondContact O-N 3.45Å; L210-T212 VanDerWaalsContact O-N 3.17Å
213I86.1Confident91.2Very high61 Ų6160.3 Ų60.331%0.31331%0.312SS..  trans-109.6142.4177.7-63.4177.5000108Y207 L210 P211 V215 H216Y207-I213 HydrophobicContact CE2-CD1 4.13Å; L210-I213 HydrophobicContact CD2-CD1 3.97Å; L210-I213 HydrophobicContact CD2-CG1 4.27Å; L210-I213 PolarHBondContact O-N 2.92Å; P211-I213 VanDerWaalsContact C-N 3.33Å; I213-V215 WeakPolarHBondContact CG2-O 3.48Å; I213-H216 PolarHBondContact O-CE1 3.01Å; I213-H216 PolarHBondContact O-NE2 3Å
214K82.3Confident91.4Very high201 Ų20154.4 Ų54.487%0.87429%0.289SS*.SBendtrans-103-12.3-177.9-70.2-170.4176.5-175.50115
215V86.6Confident91.6Very high76 Ų7655.3 Ų55.346%0.46130%0.295SS..  trans-148.1117-175.8-179.80000106.6I213 N217I213-V215 WeakPolarHBondContact CG2-O 3.48Å; V215-N217 WeakPolarHBondContact CG1-ND2 3.34Å
216H90.9Very high91.6Very high12 Ų1254.5 Ų54.56%0.05629%0.291CS..  trans-111.161.8-169.5-55.482.7000109.6Y207 L210 I213 I218 D246 C247 G248Y207-H216 HydrophobicContact CD1-CB 4.33Å; Y207-H216 HydrophobicContact CE1-CB 3.79Å; Y207-H216 PolarHBondContact O-CD2 3.19Å; Y207-H216 PolarHBondContact O-NE2 3.34Å; L210-H216 PolarHBondContact O-NE2 3.04Å; I213-H216 PolarHBondContact O-CE1 3.01Å; I213-H216 PolarHBondContact O-NE2 3Å; H216-I218 PolarHBondContact O-N 3.49Å; H216-D246 PolarHBondContact N-OD1 3Å; H216-C247 PolarHBondContact O-N 2.91Å; H216-C247 PolarHBondContact O-SG 2.96Å; H216-G248 WeakPolarHBondContact ND1-CA 3.2Å
217N90.7Very high91.8Very high82 Ų8252 Ų5244%0.43928%0.279SS..EExtended strand (participates in β ladder)trans-66.1115.1-176.4-76.9-34.1000112.1V215 Y244 V245V215-N217 WeakPolarHBondContact CG1-ND2 3.34Å; N217-Y244 HydrophobicContact CB-CD1 4.46Å; N217-V245 WeakPolarHBondContact CA-O 3.42Å
218I92.3Very high91.8Very high8 Ų848 Ų484%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-102.4150.9167.362.5167000110.6L138 F165 I197 M204 Y207 H216 V220 Y244 V245 C247L138-I218 HydrophobicContact CD1-CD1 3.66Å; F165-I218 HydrophobicContact CD2-CD1 4.38Å; F165-I218 HydrophobicContact CE2-CB 4.1Å; I197-I218 HydrophobicContact CD1-CD1 3.8Å; M204-I218 HydrophobicContact CE-CG2 4.41Å; M204-I218 HydrophobicContact SD-CG2 3.66Å; Y207-I218 HydrophobicContact CD1-CG2 4.41Å; Y207-I218 HydrophobicContact CE1-CG2 4.07Å; H216-I218 PolarHBondContact O-N 3.49Å; I218-V220 HydrophobicContact CD1-CG1 3.94Å; I218-V220 HydrophobicContact CG1-CG1 4.32Å; I218-Y244 WeakPolarHBondContact O-CA 3.47Å; I218-V245 HydrophobicContact CG1-CB 4.44Å; I218-V245 WeakPolarHBondContact CG1-O 3.38Å; I218-V245 PolarHBondContact N-O 2.85Å; I218-V245 PolarHBondContact O-N 3.11Å; I218-C247 HydrophobicContact CD1-CB 4.19Å; I218-C247 HydrophobicContact CG1-CB 4.26Å; I218-C247 HydrophobicContact CG2-CB 4.37Å
219V92.8Very high91.9Very high61 Ų6149.6 Ų49.637%0.3727%0.274SS..EExtended strand (participates in β ladder)trans-93.6123.41711790000109F165 Y242 Y244F165-V219 VanDerWaalsContact CD2-O 3.28Å; F165-V219 WeakPolarHBondContact CD2-O 3.24Å; V219-Y242 HydrophobicContact CG1-CD1 4.17Å; V219-Y244 HydrophobicContact CG2-CD1 3.67Å; V219-Y244 HydrophobicContact CG2-CE1 3.33Å; V219-Y244 HydrophobicContact CG2-CG 4.46Å
220V93.8Very high91.9Very high0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-118.1145.9170.9-62.60000110.7I140 V163 Q164 F165 I170 I218 M222 Q243 V245I140-V220 HydrophobicContact CD1-CG2 4.29Å; V163-V220 HydrophobicContact CG1-CB 3.68Å; V163-V220 HydrophobicContact CG1-CG1 4.08Å; V163-V220 HydrophobicContact CG1-CG2 3.96Å; Q164-V220 WeakPolarHBondContact O-CA 3.36Å; F165-V220 HydrophobicContact CD2-CG1 4.29Å; I170-V220 HydrophobicContact CD1-CG1 4.17Å; I218-V220 HydrophobicContact CD1-CG1 3.94Å; I218-V220 HydrophobicContact CG1-CG1 4.32Å; V220-M222 HydrophobicContact CG2-SD 4.4Å; V220-Q243 HydrophobicContact CG2-CG 3.63Å; V220-Q243 PolarHBondContact N-O 3.12Å; V220-Q243 PolarHBondContact O-N 3Å; V220-V245 HydrophobicContact CG2-CG2 3.81Å
221M94.6Very high91.8Very high27 Ų2751.9 Ų51.913%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-95.9117.1172.5-176-179.9175.900108.5Q164 E240 Y242Q164-M221 HydrophobicContact CB-CB 4.31Å; Q164-M221 PolarHBondContact N-O 3.39Å; Q164-M221 PolarHBondContact O-N 2.89Å; M221-E240 HydrophobicContact CE-CB 3.94Å; M221-E240 VanDerWaalsContact CE-CD 3.49Å; M221-E240 HydrophobicContact CE-CG 3.86Å; M221-E240 WeakPolarHBondContact CE-OE2 3.45Å; M221-Y242 HydrophobicContact CB-CD1 3.88Å; M221-Y242 HydrophobicContact CB-CE1 3.67Å; M221-Y242 HydrophobicContact CG-CD1 4.19Å; M221-Y242 HydrophobicContact CG-CE1 3.76Å; M221-Y242 HydrophobicContact SD-CE1 3.91Å
222M93.5Very high91.8Very high3 Ų350.2 Ų50.22%0.01528%0.281CS..EExtended strand (participates in β ladder)trans-87.1126.8169.4-58.7-58.6-54.500108.7N142 V163 Y191 V193 V220 E240 M241 Q243N142-M222 WeakPolarHBondContact ND2-CE 3.47Å; V163-M222 HydrophobicContact CB-SD 4.3Å; V163-M222 HydrophobicContact CG1-SD 3.98Å; V163-M222 HydrophobicContact CG2-CE 3.63Å; V163-M222 HydrophobicContact CG2-SD 3.66Å; Y191-M222 HydrophobicContact CE2-CE 3.75Å; V193-M222 HydrophobicContact CG2-CE 3.95Å; V220-M222 HydrophobicContact CG2-SD 4.4Å; M222-E240 WeakPolarHBondContact O-CA 3.3Å; M222-M241 PolarHBondContact N-O 3.32Å; M222-M241 PolarHBondContact O-N 2.74Å; M222-Q243 HydrophobicContact CG-CG 3.89Å; M222-Q243 HydrophobicContact SD-CG 4.48Å
223Q95.5Very high91.8Very high57 Ų5750.7 Ų50.727%0.26628%0.275SS..EExtended strand (participates in β ladder)trans-115.9124.3165.8-177.4-175.565.500108A161 Q162 E240A161-Q223 WeakPolarHBondContact CA-O 3.32Å; Q162-Q223 HydrophobicContact CB-CB 4.45Å; Q162-Q223 PolarHBondContact N-O 2.83Å; Q162-Q223 PolarHBondContact O-N 2.88Å; Q223-E240 HydrophobicContact CB-CG 4.09Å; Q223-E240 HydrophobicContact CG-CG 3.82Å; Q223-E240 PolarHBondContact NE2-OE1 3.11Å
224V95.1Very high92.1Very high5 Ų551.5 Ų51.53%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-124.5135.9-177.7-178.40000109.1L144 I159 T160 A161 Y191 V226 S238 Q239L144-V224 HydrophobicContact CD1-CG1 3.84Å; L144-V224 HydrophobicContact CD2-CG1 4.43Å; I159-V224 HydrophobicContact CG2-CG1 3.79Å; T160-V224 CarbonylContact O-C 3.59Å; T160-V224 WeakPolarHBondContact O-CA 3.25Å; A161-V224 HydrophobicContact CB-CG2 4.3Å; Y191-V224 HydrophobicContact CE1-CG2 4.33Å; Y191-V224 HydrophobicContact CE2-CG2 3.94Å; Y191-V224 WeakPolarHBondContact OH-CG2 3.23Å; V224-V226 HydrophobicContact CG1-CG2 4.3Å; V224-S238 CarbonylContact O-C 3.59Å; V224-S238 VanDerWaalsContact O-CA 3.22Å; V224-S238 WeakPolarHBondContact O-CA 3.35Å; V224-Q239 PolarHBondContact N-O 2.8Å; V224-Q239 PolarHBondContact O-N 3.39Å
225T95.4Very high92.6Very high30 Ų3045 Ų4518%0.18426%0.263CS..EExtended strand (participates in β ladder)trans-124.4111.3171.7-47.50000109.2T160 Q236 V237T160-T225 PolarHBondContact N-O 2.99Å; T160-T225 PolarHBondContact O-N 3.32Å; T225-Q236 HydrophobicContact CG2-CB 4.03Å; T225-Q236 HydrophobicContact CG2-CG 4.49Å; T225-V237 WeakPolarHBondContact CA-O 3.18Å
226V95.3Very high93Very high1 Ų148 Ų481%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-88128.1173.4-178.10000108.2V117 L144 I146 V156 V224 T228 Q236 V237V117-V226 HydrophobicContact CG1-CG2 3.88Å; V117-V226 HydrophobicContact CG2-CB 4.08Å; V117-V226 HydrophobicContact CG2-CG2 3.85Å; L144-V226 HydrophobicContact CD1-CG2 4.21Å; I146-V226 HydrophobicContact CD1-CG1 3.92Å; I146-V226 HydrophobicContact CD1-CG2 4.28Å; V156-V226 HydrophobicContact CG1-CG1 3.89Å; V156-V226 HydrophobicContact CG2-CG1 4.49Å; V224-V226 HydrophobicContact CG1-CG2 4.3Å; V226-T228 HydrophobicContact CG1-CG2 4.14Å; V226-Q236 WeakPolarHBondContact O-CA 3.4Å; V226-V237 PolarHBondContact N-O 3.24Å; V226-V237 PolarHBondContact O-N 3.17Å
227T95.2Very high93.1Very high19 Ų1949 Ų4912%0.11728%0.279CS..EExtended strand (participates in β ladder)trans-107.1106.6175.7-48.90000110T157 N158 E235 Q236T157-T227 PolarHBondContact N-O 2.84Å; T157-T227 PolarHBondContact OG1-O 2.98Å; N158-T227 PolarHBondContact N-O 2.73Å; N158-T227 PolarHBondContact O-N 3.09Å; T227-E235 CarbonylContact C-O 3.52Å; T227-E235 WeakPolarHBondContact CA-O 3.3Å; T227-Q236 HydrophobicContact CG2-CG 3.94Å
228T94.1Very high93.3Very high1 Ų149.1 Ų49.11%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-97.2157.117748.10000111.1I115 I154 S155 V156 V226 A234 E235I115-T228 HydrophobicContact CD1-CG2 4.12Å; I115-T228 WeakPolarHBondContact CD1-OG1 3.47Å; I115-T228 HydrophobicContact CG2-CG2 4.3Å; I154-T228 HydrophobicContact CD1-CG2 4.17Å; S155-T228 CarbonylContact O-C 3.47Å; S155-T228 WeakPolarHBondContact O-CA 3.22Å; V156-T228 HydrophobicContact CG2-CG2 4.11Å; V226-T228 HydrophobicContact CG1-CG2 4.14Å; T228-A234 CarbonylContact O-C 3.56Å; T228-A234 VanDerWaalsContact O-CA 3.25Å; T228-A234 WeakPolarHBondContact O-CA 3.29Å; T228-E235 PolarHBondContact N-O 2.93Å; T228-E235 PolarHBondContact O-N 3.14Å
229S94.3Very high93.3Very high35 Ų3551.5 Ų51.525%0.24530%0.297CS..EExtended strand (participates in β ladder)trans-138146.7170.267.60000112.5S155 T157 H233S155-S229 PolarHBondContact N-O 3Å; S155-S229 PolarHBondContact O-N 2.85Å; T157-S229 WeakPolarHBondContact CG2-OG 3.22Å; S229-H233 VanDerWaalsContact CA-O 3.22Å; S229-H233 WeakPolarHBondContact CA-O 3.46Å; S229-H233 VanDerWaalsContact CB-O 3.27Å; S229-H233 WeakPolarHBondContact CB-O 3.06Å
230Y92.6Very high93.3Very high36 Ų3653.8 Ų53.814%0.14130%0.304CS..EExtended strand (participates in β ladder)trans-158.5141.1179.454-94.3000109.1I115 Y152 I154 G232 H233 E235I115-Y230 HydrophobicContact CD1-CD1 4.5Å; I115-Y230 HydrophobicContact CD1-CE1 4.28Å; Y152-Y230 HydrophobicContact CE2-CD1 4.26Å; Y152-Y230 AromaticContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CE2 4.44Å; Y152-Y230 AromaticContact CE2-CG 3.62Å; Y152-Y230 HydrophobicContact CE2-CG 3.62Å; Y152-Y230 AromaticContact CZ-CD2 3.93Å; Y152-Y230 WeakPolarHBondContact OH-CE2 3.37Å; I154-Y230 HydrophobicContact CG2-CD1 4.2Å; Y230-G232 PolarHBondContact O-N 3.09Å; Y230-H233 HydrophobicContact CE2-CB 4.37Å; Y230-H233 PolarHBondContact N-O 3Å; Y230-H233 PolarHBondContact O-N 3.08Å; Y230-E235 HydrophobicContact CE1-CB 4.08Å; Y230-E235 WeakPolarHBondContact CE1-OE2 3.15Å; Y230-E235 PolarHBondContact OH-OE2 3.14Å
231F90.4Very high93.2Very high135 Ų13556.1 Ų56.159%0.59232%0.315SS*.THydrogen-bonded Turntrans48.128-179.7-55.5-58.1000116.3L110 Y152 H233L110-F231 HydrophobicContact CD2-CE2 3.95Å; L110-F231 HydrophobicContact CD2-CZ 3.72Å; Y152-F231 AromaticContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CZ 4.14Å; Y152-F231 AromaticContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CZ 4.33Å; Y152-F231 AromaticContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE2-CD2 4.45Å; Y152-F231 HydrophobicContact CE2-CE2 4.06Å; Y152-F231 AromaticContact CG-CE2 3.58Å; Y152-F231 HydrophobicContact CG-CE2 3.58Å; Y152-F231 AromaticContact CG-CZ 3.87Å; Y152-F231 HydrophobicContact CG-CZ 3.87Å; F231-H233 VanDerWaalsContact C-N 3.27Å; F231-H233 PolarHBondContact O-N 3.12Å
232G87.3Confident93.1Very high85 Ų8562 Ų6288%0.87634%0.337SS*.THydrogen-bonded Turntrans83.5-7.9-176.600000115Y230Y230-G232 PolarHBondContact O-N 3.09Å
233H89.7Confident92.9Very high130 Ų13062.3 Ų62.360%0.60234%0.338SS*.EExtended strand (participates in β ladder)trans-82.7156.1167.3-66-87.1000110.8S229 Y230 F231S229-H233 VanDerWaalsContact CA-O 3.22Å; S229-H233 WeakPolarHBondContact CA-O 3.46Å; S229-H233 VanDerWaalsContact CB-O 3.27Å; S229-H233 WeakPolarHBondContact CB-O 3.06Å; Y230-H233 HydrophobicContact CE2-CB 4.37Å; Y230-H233 PolarHBondContact N-O 3Å; Y230-H233 PolarHBondContact O-N 3.08Å; F231-H233 VanDerWaalsContact C-N 3.27Å; F231-H233 PolarHBondContact O-N 3.12Å
234A92.4Very high92.7Very high77 Ų7767.6 Ų67.664%0.63636%0.357SS*.EExtended strand (participates in β ladder)trans-128.9134.9171.400000109.7T228T228-A234 CarbonylContact O-C 3.56Å; T228-A234 VanDerWaalsContact O-CA 3.25Å; T228-A234 WeakPolarHBondContact O-CA 3.29Å
235E92.1Very high92.5Very high64 Ų6467.6 Ų67.630%0.29936%0.357SS..EExtended strand (participates in β ladder)trans-119153.3-179.3-176.2175.2-160.700109.3T227 T228 Y230T227-E235 CarbonylContact C-O 3.52Å; T227-E235 WeakPolarHBondContact CA-O 3.3Å; T228-E235 PolarHBondContact N-O 2.93Å; T228-E235 PolarHBondContact O-N 3.14Å; Y230-E235 HydrophobicContact CE1-CB 4.08Å; Y230-E235 WeakPolarHBondContact CE1-OE2 3.15Å; Y230-E235 PolarHBondContact OH-OE2 3.14Å
236Q94.4Very high92.4Very high139 Ų13967 Ų6765%0.6535%0.353SS*.EExtended strand (participates in β ladder)trans-130.6118178.7-68.2-175.948.800109.9T225 V226 T227T225-Q236 HydrophobicContact CG2-CB 4.03Å; T225-Q236 HydrophobicContact CG2-CG 4.49Å; V226-Q236 WeakPolarHBondContact O-CA 3.4Å; T227-Q236 HydrophobicContact CG2-CG 3.94Å
237V93.9Very high92.2Very high35 Ų3567 Ų6721%0.21235%0.352CS..EExtended strand (participates in β ladder)trans-108.7122.1176.5-178.40000108.2V117 T225 V226V117-V237 HydrophobicContact CB-CG1 4.15Å; V117-V237 HydrophobicContact CG2-CB 3.98Å; V117-V237 HydrophobicContact CG2-CG1 3.74Å; T225-V237 WeakPolarHBondContact CA-O 3.18Å; V226-V237 PolarHBondContact N-O 3.24Å; V226-V237 PolarHBondContact O-N 3.17Å
238S93.7Very high92Very high84 Ų8467 Ų6759%0.58736%0.357SS*.EExtended strand (participates in β ladder)trans-109.7133.9-179.755.80000112.1V224V224-S238 CarbonylContact O-C 3.59Å; V224-S238 VanDerWaalsContact O-CA 3.22Å; V224-S238 WeakPolarHBondContact O-CA 3.35Å
239Q93.6Very high91.7Very high58 Ų5868.3 Ų68.327%0.27137%0.371SS..EExtended strand (participates in β ladder)trans-129.7140.9176.8-179.9164.668.100110.4V117 V224V117-Q239 PolarHBondContact O-NE2 2.99Å; V117-Q239 PolarHBondContact O-OE1 2.87Å; V224-Q239 PolarHBondContact N-O 2.8Å; V224-Q239 PolarHBondContact O-N 3.39Å
240E93.6Very high91.6Very high108 Ų10871.7 Ų71.751%0.50539%0.386SS..EExtended strand (participates in β ladder)trans-122.1138.2178.1-72174-171.100109.6M221 M222 Q223M221-E240 HydrophobicContact CE-CB 3.94Å; M221-E240 VanDerWaalsContact CE-CD 3.49Å; M221-E240 HydrophobicContact CE-CG 3.86Å; M221-E240 WeakPolarHBondContact CE-OE2 3.45Å; M222-E240 WeakPolarHBondContact O-CA 3.3Å; Q223-E240 HydrophobicContact CB-CG 4.09Å; Q223-E240 HydrophobicContact CG-CG 3.82Å; Q223-E240 PolarHBondContact NE2-OE1 3.11Å
241M91.5Very high91.3Very high50 Ų5072 Ų7225%0.24639%0.391CS..EExtended strand (participates in β ladder)trans-149.9141.9-178.1-178.155.9175.500110.8Y119 M222Y119-M241 HydrophobicContact CD1-CG 4.2Å; Y119-M241 HydrophobicContact CE1-CG 4.46Å; Y119-M241 HydrophobicContact CG-CG 4.31Å; M222-M241 PolarHBondContact N-O 3.32Å; M222-M241 PolarHBondContact O-N 2.74Å
242Y91.9Very high90.9Very high151 Ų15170.8 Ų70.859%0.59240%0.395SS*.EExtended strand (participates in β ladder)trans-95.2131.5170.8-64.8-83.3000109.8V219 M221V219-Y242 HydrophobicContact CG1-CD1 4.17Å; M221-Y242 HydrophobicContact CB-CD1 3.88Å; M221-Y242 HydrophobicContact CB-CE1 3.67Å; M221-Y242 HydrophobicContact CG-CD1 4.19Å; M221-Y242 HydrophobicContact CG-CE1 3.76Å; M221-Y242 HydrophobicContact SD-CE1 3.91Å
243Q89.6Confident89.9Confident9 Ų968.2 Ų68.24%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-132.2148.3176.363.2175.664.300111.5Y119 N142 V220 M222 V245Y119-Q243 PolarHBondContact OH-OE1 3.31Å; N142-Q243 PolarHBondContact ND2-OE1 3.47Å; N142-Q243 PolarHBondContact OD1-OE1 3.33Å; V220-Q243 HydrophobicContact CG2-CG 3.63Å; V220-Q243 PolarHBondContact N-O 3.12Å; V220-Q243 PolarHBondContact O-N 3Å; M222-Q243 HydrophobicContact CG-CG 3.89Å; M222-Q243 HydrophobicContact SD-CG 4.48Å; Q243-V245 HydrophobicContact CG-CG2 4.17Å; Q243-V245 VanDerWaalsContact NE2-CG2 3.28Å
244Y90.8Very high88.1Confident168 Ų16871.2 Ų71.266%0.65938%0.381SS*.EExtended strand (participates in β ladder)trans-85.1135.4168.3-65.8-91.9000109.3N217 I218 V219N217-Y244 HydrophobicContact CB-CD1 4.46Å; I218-Y244 WeakPolarHBondContact O-CA 3.47Å; V219-Y244 HydrophobicContact CG2-CD1 3.67Å; V219-Y244 HydrophobicContact CG2-CE1 3.33Å; V219-Y244 HydrophobicContact CG2-CG 4.46Å
245V91.7Very high86Confident4 Ų474.4 Ų74.42%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-132.9128.1176.2176.30000107.9A125 I140 N217 I218 V220 Q243 C247A125-V245 HydrophobicContact CB-CG1 3.67Å; I140-V245 HydrophobicContact CD1-CG1 4.4Å; I140-V245 HydrophobicContact CD1-CG2 4.06Å; I140-V245 HydrophobicContact CG1-CG1 4.34Å; I140-V245 HydrophobicContact CG1-CG2 4.44Å; N217-V245 WeakPolarHBondContact CA-O 3.42Å; I218-V245 HydrophobicContact CG1-CB 4.44Å; I218-V245 WeakPolarHBondContact CG1-O 3.38Å; I218-V245 PolarHBondContact N-O 2.85Å; I218-V245 PolarHBondContact O-N 3.11Å; V220-V245 HydrophobicContact CG2-CG2 3.81Å; Q243-V245 HydrophobicContact CG-CG2 4.17Å; Q243-V245 VanDerWaalsContact NE2-CG2 3.28Å; V245-C247 PolarHBondContact O-N 3.06Å
246D92.1Very high83.6Confident18 Ų1873.7 Ų73.710%0.09639%0.391CS..EExtended strand (participates in β ladder)trans-71.9116.7170.3-168.5-10.4000108.8H216 G248 T251H216-D246 PolarHBondContact N-OD1 3Å; D246-G248 VanDerWaalsContact C-N 3.34Å; D246-G248 WeakPolarHBondContact OD1-CA 3.45Å; D246-G248 PolarHBondContact OD1-N 2.98Å; D246-T251 HydrophobicContact CB-CG2 3.92Å
247C92.4Very high81Confident0 Ų073.3 Ų73.30%039%0.39CS..SBendtrans-89.4-1.6174.973.30000113.3V127 Y129 L138 C208 H216 I218 V245V127-C247 WeakPolarHBondContact CG1-O 3.3Å; Y129-C247 PolarHBondContact OH-O 2.87Å; L138-C247 HydrophobicContact CD1-CB 4.07Å; L138-C247 HydrophobicContact CD2-CB 3.98Å; C208-C247 HydrophobicContact CB-CB 4Å; C208-C247 WeakPolarHBondContact CB-O 3.12Å; C208-C247 WeakPolarHBondContact CB-SG 3.2Å; C208-C247 WeakPolarHBondContact SG-CB 3.49Å; C208-C247 CovalentContact SG-SG 2.03Å; C208-C247 PolarHBondContact SG-SG 3.29Å; H216-C247 PolarHBondContact O-N 2.91Å; H216-C247 PolarHBondContact O-SG 2.96Å; I218-C247 HydrophobicContact CD1-CB 4.19Å; I218-C247 HydrophobicContact CG1-CB 4.26Å; I218-C247 HydrophobicContact CG2-CB 4.37Å; V245-C247 PolarHBondContact O-N 3.06Å
248G90.6Very high78.4Confident21 Ų2176.4 Ų76.422%0.21641%0.408CS..SBendtrans-89.3-38.5-176.200000113.8Y129 H216 D246Y129-G248 VanDerWaalsContact OH-C 3.25Å; Y129-G248 WeakPolarHBondContact OH-CA 3.31Å; Y129-G248 PolarHBondContact OH-O 3.31Å; H216-G248 WeakPolarHBondContact ND1-CA 3.2Å; D246-G248 VanDerWaalsContact C-N 3.34Å; D246-G248 WeakPolarHBondContact OD1-CA 3.45Å; D246-G248 PolarHBondContact OD1-N 2.98Å
249G87.4Confident75.6Confident28 Ų2878.1 Ų78.129%0.28941%0.407SS..SBendtrans-146.8158-174.400000114.5V127 T251V127-G249 WeakPolarHBondContact CG2-O 3.37Å; G249-T251 PolarHBondContact O-N 2.59Å
250N91.1Very high72.7Confident105 Ų10581 Ų8156%0.56143%0.429SS*.  trans-62.8123.1176.7-70-32.7000110.8Y126 V127Y126-N250 VanDerWaalsContact CA-OD1 3.32Å; Y126-N250 WeakPolarHBondContact CA-OD1 3.26Å; Y126-N250 HydrophobicContact CD1-CB 4.2Å; V127-N250 PolarHBondContact N-OD1 3.3Å
251T87Confident70.1Confident43 Ų4385 Ų8526%0.26444%0.44SS..EExtended strand (participates in β ladder)trans-117.3133.7177.149.90000110.9S124 A125 D246 G249S124-T251 CarbonylContact C-O 3.5Å; S124-T251 VanDerWaalsContact CA-O 3.22Å; S124-T251 WeakPolarHBondContact CA-O 3.44Å; S124-T251 WeakPolarHBondContact CB-O 3.39Å; A125-T251 PolarHBondContact N-O 3.46Å; A125-T251 PolarHBondContact O-N 3.24Å; D246-T251 HydrophobicContact CB-CG2 3.92Å; G249-T251 PolarHBondContact O-N 2.59Å
252T82.4Confident67.2Low109 Ų10994.8 Ų94.867%0.66949%0.485SS*.EExtended strand (participates in β ladder)trans-119.8120.4167.445.20000107.5
253S66.5Low66Low32 Ų3292 Ų9222%0.22448%0.48CS..  trans-130.5141.9-168.137.90000110.7V122 K123V122-S253 PolarHBondContact O-OG 3.04Å; V122-S253 VanDerWaalsContact O-OG 3.09Å; K123-S253 WeakPolarHBondContact CA-O 3.21Å; K123-S253 PolarHBondContact O-N 2.81Å; K123-S253 VanDerWaalsContact O-N 3.11Å
254M51.4Low64.7Low193 Ų19396.4 Ų96.495%0.95150%0.503SS*.  trans-115.951.3159.6-66.3-158.774.500108.4G256M254-G256 PolarHBondContact O-N 3.22Å; M254-G256 VanDerWaalsContact O-N 3.15Å
255H47.8Very low63.3Low144 Ų14492.4 Ų92.467%0.66750%0.495SS*.  trans-84.885.2179.2-123.460.6000109
256G42.5Very low61.6Low48 Ų4897.6 Ų97.650%0.49552%0.522SS..  trans-71.7145.1170.900000111.5M254M254-G256 PolarHBondContact O-N 3.22Å; M254-G256 VanDerWaalsContact O-N 3.15Å
257H40Very low59.7Low132 Ų132102.6 Ų102.661%0.61155%0.549SS*.  trans50.179.9168.2-81.7-81.9000117.3Q259H257-Q259 VanDerWaalsContact C-N 3.26Å; H257-Q259 PolarHBondContact O-N 3.04Å
258V39.2Very low57.5Low100 Ų100109.4 Ų109.461%0.60659%0.585SS**  trans-83.282.2140.8-176.40000107.5V260V258-V260 HydrophobicContact CG1-CG2 4.1Å; V258-V260 PolarHBondContact O-N 2.87Å; V258-V260 VanDerWaalsContact O-N 3.14Å
259Q35.5Very low55.1Low119 Ų119115.7 Ų115.756%0.55661%0.612SS**  trans-77.894.9174.5-137173.414.100108.4H257 Y261H257-Q259 VanDerWaalsContact C-N 3.26Å; H257-Q259 PolarHBondContact O-N 3.04Å; Q259-Y261 VanDerWaalsContact C-N 3.34Å; Q259-Y261 HydrophobicContact CB-CD2 4.46Å; Q259-Y261 HydrophobicContact CB-CE2 4.44Å; Q259-Y261 HydrophobicContact CG-CE2 4.28Å; Q259-Y261 PolarHBondContact O-N 2.83Å
260V31.3Very low52.7Low120 Ų120122.5 Ų122.573%0.72764%0.637SS**  trans-7392.8171.1-176.20000107.8V258V258-V260 HydrophobicContact CG1-CG2 4.1Å; V258-V260 PolarHBondContact O-N 2.87Å; V258-V260 VanDerWaalsContact O-N 3.14Å
261Y38.9Very low49.5Very low190 Ų190123.9 Ų123.975%0.74564%0.643SS**  trans-65.7139.6165-88.4-90.5000109.8Q259Q259-Y261 VanDerWaalsContact C-N 3.34Å; Q259-Y261 HydrophobicContact CB-CD2 4.46Å; Q259-Y261 HydrophobicContact CB-CE2 4.44Å; Q259-Y261 HydrophobicContact CG-CE2 4.28Å; Q259-Y261 PolarHBondContact O-N 2.83Å
262Q31Very low46Very low257 Ų257131.3 Ų131.3100%1.20168%0.677SS**  trans-117.70173.4-175.2176.63.600109.3

Retrieved 262 of 262 residues in 456.9 ms (Link to these results)