A0A3Q0KRB6_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KRB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,673 aa.

>A0A3Q0KRB6_SCHMA|A0A3Q0KRB6
MADSNCVDSPPTPNYVYTLNEVTDVQSNFVPLKMASQVDTQNYASDELSATYTGLHCSICHCFFNSSDQMSRHLNIHNTGKPYVCSHCNASFNQAENLYVHISLYHTMCENQDHYNCCLCDKRFLRFTAYKSHLLLHQIDENFVCSVCQQSFESVTLYEKHLHACTKTIVINKPPSQYRCRICGMLLSSIGKIKQHYRRRHPCYRSHSIENPGVITEANLEPSTDAGNIRSSKLRATDHLSTIIKRGQRRSKNSLSMLDQLIYQIPVEQPVIQDNSHAIKSNRKKRKTPYLCSVCHKKFVKPSLLKRHMTIHTKNKSYECVLCHARFTQKSSAKTHVLLHISALNLHPDYHSTENGTDSSLPILTVNNESQDSVANRLPSLDSHVNSGIQFLTFPNDNDTLNCTTLPHNSVVLQSFIPRYHAAENNLNRIRTDHADHNLVPPVSNSNLGMDCSYPQMFSCPVCYKRFQLSRSLRVHMLRHSMVGCKSYERIPISQNSIQQKNMRNRLNTKTCDKSKKSCSRKLVHRFNRCIHCFKAFRSVNRLKLHIYKTHLGRCTIFMCRKCPRRFISSMGLKRHVNLRHRCIKSNNICPICQTLFLNLSALKRHMDIHSSERLFSCYICHKRFQFLHSCRKHLLNHSITKRSKKQKHNVQKLSESCASDMVTIPKYPVLQTVIIDSLSKSRDAGSCSDPNVTVGDFINTVEKCSLYNNTGPNTFRSDGLSVVVHVQSPSNNPSNIFVPLPKSVSQHQNFDFPTVNNFRDNLDNLKNSEMITIAAKRYSEFSQNQTDIWIDSSAENQSYCVPNIPPNEVDQTLDLLVIDGSQAFNSTEVPVEGSLDAYQEPVLLAPDNVDSSKFPSNLNIDPLLNTQSFMCAVEPLEKDLTTNICYASNTYTTNINTAVSVVNDSNQASNTNPVYKPPRPSERAGLNVHKSCSFEKETSDIIESNSFPILSTQQLYGCGLCNMVYEDAESLLQHNRISHNNVSKSFSCSSCPRSFTNPTLLLSHSRIHNPEYDGILNCPLCPMSIFTKQSALSRHIIYCHPLPLSEPFMCSNCGMRFMMLRSLKSHVNNILNGVDICVSKSTLEQQESTNNMINNELRNGKNTSKLNNTRNLKRNTHQISNLSSNLVDEIAKLQPSNHLSLSEKYLIKAARERVENTVSFPKLLIDSHSLNHQSNFPVSGNICNICNKNFTKKSDLRYHLNVHFGIRPYECDKCHRRFMKHSQLRQHKFKVHESNMSKIVLTSKKKALMKHALFCHLCGSGFSSRSSLRLHVRLHTGTRGYGCPYCNSVFHNPSHRKRHLLKCKARHQSNDELTSANFSSTLDNNIFSHDVMNINHPEEETICEANKMCRSFKDCICDNGVSEHCTKCTKCTLYLDILLYSKEIPTNDKVINNQVLDVPNSINNSGSKPVNISTAYLEITDHDINNNSEKPFTSHNISNTIDVANGQQCHYLLASTCDMNELNQHFIPVNNNLDNVINIHDSNNDINNDINAVVLYSDENIFDFVPCEDIYSNNTLHNNPEYLNTALENEPMSSSTNNITTDNAIISSHIHGDDNNNLTTHLTKNTTIMKAKSNIKYSYNKKFQRLFNCTICHKTFTKNSSLIRHERIHNRIKPFVCHYCGASFTQSYSLTSHELIHIGEKPYKCSQCNASFRQSCNLKRHLKLVHKNECIL
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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
1M26.1Very low29.5Very low148 Ų14898.5 Ų98.573%0.72960%0.602SS**  083.30-92.6-53.1-173.200108.3T711 G712 P713M1-T711 CarbonylContact C-O 3.13Å; M1-T711 WeakPolarHBondContact CA-O 3.43Å; M1-T711 PolarHBondContact N-O 2.79Å; M1-G712 WeakPolarHBondContact CA-O 3.28Å; M1-G712 VanDerWaalsContact CG-C 3.49Å; M1-G712 VanDerWaalsContact CG-O 3.25Å; M1-G712 WeakPolarHBondContact CG-O 3.16Å; M1-G712 PolarHBondContact N-O 3.22Å; M1-P713 HydrophobicContact CE-CB 3.61Å; M1-P713 HydrophobicContact CE-CG 3.73Å; M1-P713 HydrophobicContact CG-CB 3.98Å
2A31.1Very low29Very low51 Ų51101.6 Ų101.642%0.42162%0.621SS.*  trans45.6121163.900000118T711A2-T711 PolarHBondContact N-O 3.41Å
3D28.1Very low29.1Very low99 Ų99102.8 Ų102.853%0.52963%0.632SS.*  45.7111.266.4-55.9-43.6000111.2N709 N710D3-N709 PolarHBondContact O-OD1 3.06Å; D3-N710 PolarHBondContact OD2-N 3.16Å
4S28.1Very low28.7Very low61 Ų61105.9 Ų105.943%0.42764%0.642SS.*  89.2107.362.479.30000112.5L707 Y708 N709S4-L707 PolarHBondContact OG-O 2.87Å; S4-Y708 CarbonylContact O-C 3.5Å; S4-Y708 VanDerWaalsContact O-C 3.28Å; S4-Y708 VanDerWaalsContact O-CA 3.24Å; S4-Y708 WeakPolarHBondContact O-CA 3.38Å; S4-Y708 PolarHBondContact O-N 2.81Å; S4-Y708 PolarHBondContact OG-O 3.3Å; S4-N709 PolarHBondContact O-N 3.33Å; S4-N709 PolarHBondContact O-OD1 3.19Å; S4-N709 PolarHBondContact OG-N 3.1Å
5N31.3Very low28.4Very low71 Ų71113 Ų11338%0.3866%0.655SS.*  trans-162.2106.8152.5-105.7-31.2000113.6Y708 N709N5-Y708 WeakPolarHBondContact ND2-CD1 3.29Å; N5-Y708 VanDerWaalsContact ND2-CD2 3.29Å; N5-Y708 WeakPolarHBondContact ND2-CD2 3.13Å; N5-Y708 WeakPolarHBondContact ND2-CE1 3.13Å; N5-Y708 VanDerWaalsContact ND2-CE2 3.3Å; N5-Y708 WeakPolarHBondContact ND2-CE2 3.42Å; N5-Y708 VanDerWaalsContact ND2-CG 3.26Å; N5-Y708 VanDerWaalsContact ND2-CZ 3.27Å; N5-Y708 WeakPolarHBondContact OD1-CA 3.42Å; N5-Y708 WeakPolarHBondContact OD1-CD2 3.25Å; N5-Y708 VanDerWaalsContact OD1-CE2 3.29Å; N5-Y708 WeakPolarHBondContact OD1-CE2 3.2Å; N5-Y708 PolarHBondContact OD1-N 2.86Å; N5-N709 PolarHBondContact ND2-ND2 2.94Å; N5-N709 VanDerWaalsContact ND2-ND2 3.14Å
6C23.6Very low28.1Very low88 Ų88113.4 Ų113.460%0.59566%0.66SS**  trans-80.8160.4141-57.30000108.5
7V29.3Very low27.9Very low108 Ų108119.4 Ų119.466%0.65567%0.67SS**  -171.2136.2125.3143.10000108.5
8D24.3Very low27.6Very low121 Ų121118.9 Ų118.965%0.64767%0.671SS**  trans-88.9169.8178.6-81.9-65.6000112.9
9S27.2Very low27.5Very low108 Ų108120.8 Ų120.876%0.75568%0.679SS**  trans75.5168.1154.2-0.20000117.5
10P42.5Very low27.3Very low118 Ų118122.7 Ų122.777%0.76669%0.687SS**  cis-121.5-153-14.333.3-10.8000108.7
11P33.3Very low27.1Very low110 Ų110125.2 Ų125.271%0.71469%0.693SS**  cis-139165.10.542.7-24000118.5
12T23.7Very low27.1Very low136 Ų136124.8 Ų124.883%0.83470%0.699SS**  trans-76.3143.7150.748.50000110.9
13P30.1Very low26.7Very low118 Ų118127.9 Ų127.977%0.76671%0.712SS**  trans-120.7143.6145.833.8-24.6000111.9
14N22.7Very low26.6Very low145 Ų145130 Ų13078%0.77572%0.724SS**  trans-59.9150.2157.5-66.1-40000109
15Y25.6Very low26.4Very low213 Ų213132.2 Ų132.284%0.83573%0.734SS**  179.3145.2106.1-108.6-86.7000110.8
16V22.8Very low26Very low120 Ų120136.8 Ų136.873%0.72775%0.753SS**  trans-80135165.4172.30000107.7
17Y25.3Very low25.8Very low214 Ų214137.1 Ų137.184%0.83976%0.757SS**  trans-137.7141.4149.1-112.4-81.6000111.4
18T22.6Very low25.5Very low111 Ų111138.6 Ų138.668%0.68176%0.761SS**  trans-82177.5-178.2450000112.1
19L25.4Very low25.7Very low156 Ų156143 Ų14382%0.81778%0.775SS**  trans-47.1145.4167.7-63.890.7000111.7
20N24Very low25.6Very low158 Ų158144.2 Ų144.285%0.84578%0.777SS**  -159.9162.3125.6-101.3-4.5000111.7
21E22.9Very low25.5Very low176 Ų176144.1 Ų144.182%0.82278%0.777SS**  trans-66.8165.8179.2-58.1149.814100111.8
22V26Very low25.1Very low139 Ų139147.1 Ų147.184%0.84279%0.786SS**  -174.3140.9121.9145.20000109.9
23T22.9Very low24.9Very low115 Ų115150.1 Ų150.171%0.70679%0.788SS**  trans-73.4151.6172.646.90000112.2
24D25.2Very low24.7Very low145 Ų145153.3 Ų153.378%0.77579%0.794SS**  trans156.6156.1147.2-87-0.5000110.8
25V24.5Very low24.9Very low106 Ų106150.8 Ų150.864%0.64279%0.794SS**  cis-156.9143.6-24.8118.80000107.5
26Q21.5Very low24.8Very low167 Ų167145.2 Ų145.278%0.7879%0.786SS**  trans38.7128.5153.8-59.6175.1-1100123.2
27S21.4Very low24.9Very low96 Ų96148.2 Ų148.267%0.67179%0.792SS**  100.7135.1123.376.10000122.2
28N23.1Very low25Very low139 Ų139143.4 Ų143.474%0.74379%0.785SS**  trans63.6107.8148.8-57.4-18.5000119.6
29F26.7Very low25.2Very low214 Ų214144.4 Ų144.494%0.93979%0.786SS**  -167.3137.3104.4-107-76.3000111.6
30V25.2Very low25.3Very low132 Ų132142.4 Ų142.480%0.878%0.78SS**PPolyproline II helixtrans-96.3150.3179.4166.10000109.2
31P41.3Very low25.3Very low117 Ų117142.8 Ų142.876%0.7678%0.777SS**PPolyproline II helixtrans-88.7155.6-147.933.6-36.2000116
32L24.8Very low25.5Very low173 Ų173140.4 Ų140.491%0.90677%0.77SS**PPolyproline II helixtrans-71.6128.7175-87.488.8000112.9
33K20.1Very low25.4Very low199 Ų199144.2 Ų144.287%0.86577%0.771SS**PPolyproline II helixtrans-77.8141.9157.1-64.5171.5175.8174.60109.8
34M24.7Very low25.8Very low184 Ų184143.5 Ų143.591%0.90678%0.777SS**  trans-149122.1140.5-88.4-154.616700111
35A26.5Very low25.8Very low93 Ų93141.4 Ų141.477%0.76977%0.773SS**  trans38.9150.1143.600000122.5
36S24.2Very low26.2Very low96 Ų96144.4 Ų144.467%0.67179%0.786SS**  cis174.1155.6-3051.70000107.8
37Q25.8Very low26.5Very low183 Ų183145.1 Ų145.186%0.85579%0.789SS**  trans74.6144.7166.4-57.3179.3-18.300117.1
38V26.3Very low27Very low112 Ų112148.5 Ų148.568%0.67980%0.799SS**  cis-162.2164.2-11.6124.70000108.6
39D27.7Very low27.3Very low133 Ų133147.8 Ų147.871%0.71180%0.804SS**  trans65.7104.9173.7-60.4-23.8000118.3
40T26.5Very low27.6Very low114 Ų114141 Ų14170%0.69979%0.788SS**  78.7106.157.870.50000115.7
41Q24.8Very low28Very low166 Ų166141.2 Ų141.278%0.77679%0.79SS**  164.9145.898.5-108171.828.600114.9
42N27.3Very low28.1Very low126 Ų126145.7 Ų145.767%0.67479%0.793SS**  trans75.892.3150.2-57.1-15.2000121.8
43Y23.6Very low29.1Very low219 Ų219143.7 Ų143.786%0.85979%0.788SS**  17.9125.9118.8-76.5-93.3000119.5
44A30Very low31.1Very low100 Ų100135.4 Ų135.483%0.82676%0.76SS**  -161.413010700000110.3
45S25.9Very low33.5Very low101 Ų101129.7 Ų129.771%0.70673%0.732SS**  trans-80147.4170.4-40.90000109.9
46D33.3Very low36.3Very low169 Ų169130 Ų13090%0.90472%0.718SS**  trans-147.1124.4146-105.4-29.3000108.7
47E26.5Very low39Very low181 Ų181125.5 Ų125.585%0.84669%0.686SS**  trans-79128.8-178.6-63178128.500110.3
48L33.4Very low41.3Very low168 Ų168121.1 Ų121.188%0.8868%0.676SS**  trans-147.975.3156-112.1148.5000109.7A50L48-A50 PolarHBondContact O-N 2.8Å
49S27.9Very low43.6Very low123 Ų123120.5 Ų120.586%0.8667%0.668SS**  trans-61101.8165.153.80000110.1
50A33.8Very low46.1Very low73 Ų73116.6 Ų116.660%0.60365%0.65SS**  trans-130.9114.2160.600000108.3L48 Y52L48-A50 PolarHBondContact O-N 2.8Å; A50-Y52 VanDerWaalsContact C-N 3.26Å; A50-Y52 PolarHBondContact O-N 3.22Å
51T34.5Very low48.4Very low136 Ų136117.2 Ų117.283%0.83465%0.645SS**  trans-64.477.7-179.2480000111.9T53T51-T53 PolarHBondContact O-N 3.31Å
52Y41.3Very low51.1Low210 Ų210112.2 Ų112.282%0.82463%0.627SS**  trans-8192.7158.7-100.2-84.3000108.5A50 G54A50-Y52 VanDerWaalsContact C-N 3.26Å; A50-Y52 PolarHBondContact O-N 3.22Å; Y52-G54 PolarHBondContact O-N 3.22Å
53T47.5Very low53.8Low131 Ų131113.4 Ų113.480%0.80463%0.627SS**  trans-67.960.6163540000109.7T51 L55T51-T53 PolarHBondContact O-N 3.31Å; T53-L55 PolarHBondContact O-N 3.32Å
54G61.2Low56.9Low26 Ų26104.5 Ų104.527%0.26859%0.593SS.*  trans-71.3120.6176.700000109.2Y52 H56Y52-G54 PolarHBondContact O-N 3.22Å; G54-H56 PolarHBondContact O-N 3.07Å
55L75.1Confident59.5Low63 Ų63106.5 Ų106.533%0.3359%0.589SS.*EExtended strand (participates in β ladder)trans-69.3103.7176.1-69.4173.6000107.9T53 F64 S67 M70T53-L55 PolarHBondContact O-N 3.32Å; L55-F64 PolarHBondContact N-O 3.41Å; L55-F64 WeakPolarHBondContact O-CB 3.4Å; L55-F64 WeakPolarHBondContact O-CD2 2.92Å; L55-F64 PolarHBondContact O-N 2.9Å; L55-S67 VanDerWaalsContact CD1-CA 3.44Å; L55-M70 HydrophobicContact CB-CB 4.08Å; L55-M70 HydrophobicContact CB-CE 3.88Å; L55-M70 HydrophobicContact CB-CG 4.5Å; L55-M70 HydrophobicContact CB-SD 3.71Å; L55-M70 HydrophobicContact CD1-CB 4.4Å; L55-M70 HydrophobicContact CD2-CE 3.95Å; L55-M70 HydrophobicContact CG-CE 4.35Å
56H85.1Confident62.2Low101 Ų101103.5 Ų103.547%0.46857%0.569SS.*EExtended strand (participates in β ladder)trans-97.8138.9179.181.1-87.7000110.3G54 S58 C62 F63G54-H56 PolarHBondContact O-N 3.07Å; H56-S58 PolarHBondContact O-N 2.76Å; H56-C62 CarbonylContact C-O 3.54Å; H56-C62 WeakPolarHBondContact CA-O 3.23Å; H56-F63 HydrophobicContact CB-CD1 3.86Å; H56-F63 HydrophobicContact CB-CE1 3.91Å; H56-F63 HydrophobicContact CB-CG 4.48Å
57C81.1Confident64.7Low1 Ų199 Ų991%0.00755%0.55CS.*  trans-78.2122.7175.5-179.30000110.6I59 H61 C62 F64 H73 H77C57-I59 PolarHBondContact O-N 2.92Å; C57-I59 VanDerWaalsContact O-N 3.17Å; C57-I59 PolarHBondContact SG-N 3.28Å; C57-I59 VanDerWaalsContact SG-N 3.43Å; C57-H61 WeakPolarHBondContact O-CA 3.24Å; C57-H61 PolarHBondContact O-N 3.37Å; C57-C62 PolarHBondContact N-O 3.03Å; C57-F64 HydrophobicContact CB-CE2 4.05Å; C57-H73 WeakPolarHBondContact CB-NE2 3.42Å; C57-H73 PolarHBondContact SG-NE2 3.14Å; C57-H77 VanDerWaalsContact SG-CD2 3.56Å; C57-H77 PolarHBondContact SG-NE2 2.97Å
58S74.9Confident67.3Low91 Ų9195.7 Ų95.764%0.63654%0.538SS*.THydrogen-bonded Turntrans-64.7-15.2176.452.50000114.5H56H56-S58 PolarHBondContact O-N 2.76Å
59I73.5Confident69.5Low99 Ų9991.6 Ų91.651%0.50852%0.515SS..THydrogen-bonded Turntrans-97.1-24.7-174.6-51167.9000112.4C57 H77C57-I59 PolarHBondContact O-N 2.92Å; C57-I59 VanDerWaalsContact O-N 3.17Å; C57-I59 PolarHBondContact SG-N 3.28Å; C57-I59 VanDerWaalsContact SG-N 3.43Å; I59-H77 HydrophobicContact CD1-CB 3.73Å; I59-H77 VanDerWaalsContact CG2-CE1 3.46Å; I59-H77 WeakPolarHBondContact CG2-CE1 3.09Å; I59-H77 VanDerWaalsContact CG2-ND1 3.3Å; I59-H77 WeakPolarHBondContact CG2-ND1 3.36Å
60C81.9Confident72.2Confident51 Ų5187.5 Ų87.535%0.34548%0.482SS..THydrogen-bonded Turntrans-139.63.217873.10000115.6C62 H73 H77C60-C62 PolarHBondContact O-N 3.03Å; C60-C62 VanDerWaalsContact O-N 3.09Å; C60-H73 PolarHBondContact SG-CE1 3.44Å; C60-H73 PolarHBondContact SG-NE2 3.45Å; C60-H77 PolarHBondContact SG-NE2 3.41Å
61H74.8Confident74.3Confident127 Ų12786.5 Ų86.559%0.58847%0.471SS*.  trans56.720.3179.9-51.1-71.7000115.6C57C57-H61 WeakPolarHBondContact O-CA 3.24Å; C57-H61 PolarHBondContact O-N 3.37Å
62C80.3Confident76.3Confident60 Ų6087.6 Ų87.641%0.40546%0.46SS..  trans-69.3136.8167.1-74.40000110.8H56 C57 C60 F64H56-C62 CarbonylContact C-O 3.54Å; H56-C62 WeakPolarHBondContact CA-O 3.23Å; C57-C62 PolarHBondContact N-O 3.03Å; C60-C62 PolarHBondContact O-N 3.03Å; C60-C62 VanDerWaalsContact O-N 3.09Å; C62-F64 HydrophobicContact CB-CE2 3.58Å; C62-F64 HydrophobicContact CB-CZ 3.47Å; C62-F64 VanDerWaalsContact CB-CZ 3.47Å; C62-F64 WeakPolarHBondContact O-CD2 3.24Å; C62-F64 WeakPolarHBondContact O-CE2 3.37Å
63F84Confident78.2Confident152 Ų15278.9 Ų78.967%0.66743%0.427SS*.EExtended strand (participates in β ladder)trans-93.5139.7175.8-65.2-92.1000111.2H56H56-F63 HydrophobicContact CB-CD1 3.86Å; H56-F63 HydrophobicContact CB-CE1 3.91Å; H56-F63 HydrophobicContact CB-CG 4.48Å
64F89.1Confident79.5Confident31 Ų3175 Ų7514%0.13640%0.401CS..EExtended strand (participates in β ladder)trans-127.7139.1-179.2-60.9-76.6000112L55 C57 C62 Q69 M70 H73L55-F64 PolarHBondContact N-O 3.41Å; L55-F64 WeakPolarHBondContact O-CB 3.4Å; L55-F64 WeakPolarHBondContact O-CD2 2.92Å; L55-F64 PolarHBondContact O-N 2.9Å; C57-F64 HydrophobicContact CB-CE2 4.05Å; C62-F64 HydrophobicContact CB-CE2 3.58Å; C62-F64 HydrophobicContact CB-CZ 3.47Å; C62-F64 VanDerWaalsContact CB-CZ 3.47Å; C62-F64 WeakPolarHBondContact O-CD2 3.24Å; C62-F64 WeakPolarHBondContact O-CE2 3.37Å; F64-Q69 HydrophobicContact CB-CB 4.12Å; F64-Q69 HydrophobicContact CD1-CB 3.97Å; F64-Q69 HydrophobicContact CG-CB 4.4Å; F64-M70 HydrophobicContact CB-CB 3.99Å; F64-M70 HydrophobicContact CD2-CB 3.97Å; F64-M70 HydrophobicContact CD2-CG 4.04Å; F64-M70 HydrophobicContact CD2-SD 4.4Å; F64-M70 HydrophobicContact CG-CB 4.08Å; F64-H73 HydrophobicContact CD1-CB 4.45Å; F64-H73 HydrophobicContact CE1-CB 3.76Å; F64-H73 AromaticContact CE1-CG 3.83Å; F64-H73 HydrophobicContact CE2-CB 4.01Å; F64-H73 AromaticContact CE2-CD2 3.13Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.29Å; F64-H73 AromaticContact CE2-CG 3.53Å; F64-H73 AromaticContact CE2-NE2 3.61Å; F64-H73 HydrophobicContact CZ-CB 3.54Å; F64-H73 AromaticContact CZ-CD2 3.23Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.3Å; F64-H73 AromaticContact CZ-CE1 3.77Å; F64-H73 AromaticContact CZ-CG 3.11Å; F64-H73 AromaticContact CZ-ND1 3.49Å; F64-H73 WeakPolarHBondContact CZ-ND1 2.93Å; F64-H73 AromaticContact CZ-NE2 3.63Å
65N85Confident80.1Confident142 Ų14278.3 Ų78.376%0.75941%0.412SS*.SBendtrans-87.3-4.2-176.2-63.86.3000113
66S82.8Confident79.7Confident39 Ų3978.5 Ų78.527%0.27341%0.413SS..SBendtrans-153.4156.2173.781.20000113.1D68 Q69 M70S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 PolarHBondContact O-N 2.86Å; S66-Q69 WeakPolarHBondContact O-CB 3.29Å; S66-Q69 PolarHBondContact O-N 3.34Å; S66-Q69 WeakPolarHBondContact OG-CG 3.32Å; S66-Q69 PolarHBondContact OG-N 3.34Å; S66-M70 PolarHBondContact O-N 2.86Å
67S84.5Confident79Confident74 Ų7474.8 Ų74.852%0.51740%0.396SS..Hα-helixtrans-61-33.7177.2-169.20000112.4L55 Q69 M70 S71L55-S67 VanDerWaalsContact CD1-CA 3.44Å; S67-Q69 VanDerWaalsContact C-N 3.33Å; S67-Q69 PolarHBondContact O-N 3.19Å; S67-M70 PolarHBondContact O-N 3.24Å; S67-S71 WeakPolarHBondContact O-CB 3.4Å; S67-S71 PolarHBondContact O-N 2.83Å; S67-S71 PolarHBondContact O-OG 3.21Å
68D81.5Confident78Confident111 Ų11180.7 Ų80.759%0.59443%0.427SS*.Hα-helixtrans-67.8-31.7174.2-63-40.5000113.3S66 R72S66-D68 VanDerWaalsContact C-N 3.26Å; S66-D68 PolarHBondContact O-N 2.86Å; D68-R72 VanDerWaalsContact O-CB 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 WeakPolarHBondContact O-CG 3.36Å; D68-R72 PolarHBondContact O-N 2.91Å; D68-R72 PolarHBondContact O-NE 3.11Å
69Q80.6Confident77.3Confident83 Ų8380.4 Ų80.439%0.38842%0.422SS..Hα-helixtrans-73.3-46.3175.3-71.2-18014.100110.1F64 S66 S67 S71 R72 H73F64-Q69 HydrophobicContact CB-CB 4.12Å; F64-Q69 HydrophobicContact CD1-CB 3.97Å; F64-Q69 HydrophobicContact CG-CB 4.4Å; S66-Q69 WeakPolarHBondContact O-CB 3.29Å; S66-Q69 PolarHBondContact O-N 3.34Å; S66-Q69 WeakPolarHBondContact OG-CG 3.32Å; S66-Q69 PolarHBondContact OG-N 3.34Å; S67-Q69 VanDerWaalsContact C-N 3.33Å; S67-Q69 PolarHBondContact O-N 3.19Å; Q69-S71 VanDerWaalsContact C-N 3.35Å; Q69-S71 PolarHBondContact O-N 2.86Å; Q69-R72 PolarHBondContact O-N 3.42Å; Q69-H73 VanDerWaalsContact O-CB 3.3Å; Q69-H73 WeakPolarHBondContact O-CB 3.27Å; Q69-H73 PolarHBondContact O-N 3.48Å
70M83.1Confident76.9Confident36 Ų3677.8 Ų77.818%0.17742%0.42CS..Hα-helixtrans-63.9-40174.5-171.8157.685.100111.4L55 F64 S66 S67 H73 L74L55-M70 HydrophobicContact CB-CB 4.08Å; L55-M70 HydrophobicContact CB-CE 3.88Å; L55-M70 HydrophobicContact CB-CG 4.5Å; L55-M70 HydrophobicContact CB-SD 3.71Å; L55-M70 HydrophobicContact CD1-CB 4.4Å; L55-M70 HydrophobicContact CD2-CE 3.95Å; L55-M70 HydrophobicContact CG-CE 4.35Å; F64-M70 HydrophobicContact CB-CB 3.99Å; F64-M70 HydrophobicContact CD2-CB 3.97Å; F64-M70 HydrophobicContact CD2-CG 4.04Å; F64-M70 HydrophobicContact CD2-SD 4.4Å; F64-M70 HydrophobicContact CG-CB 4.08Å; S66-M70 PolarHBondContact O-N 2.86Å; S67-M70 PolarHBondContact O-N 3.24Å; M70-H73 CarbonylContact O-C 3.5Å; M70-H73 PolarHBondContact O-N 2.91Å; M70-H73 VanDerWaalsContact O-N 3.11Å; M70-L74 HydrophobicContact CE-CD1 4.24Å; M70-L74 HydrophobicContact CG-CD1 3.84Å; M70-L74 HydrophobicContact CG-CG 3.91Å; M70-L74 WeakPolarHBondContact O-CB 3.41Å; M70-L74 WeakPolarHBondContact O-CG 3.5Å; M70-L74 PolarHBondContact O-N 3.2Å
71S79.1Confident76.5Confident52 Ų5278.7 Ų78.736%0.36442%0.418SS..Hα-helixtrans-65.4-41177.8-63.20000112.2S67 Q69 H73 N75S67-S71 WeakPolarHBondContact O-CB 3.4Å; S67-S71 PolarHBondContact O-N 2.83Å; S67-S71 PolarHBondContact O-OG 3.21Å; Q69-S71 VanDerWaalsContact C-N 3.35Å; Q69-S71 PolarHBondContact O-N 2.86Å; S71-H73 VanDerWaalsContact C-N 3.27Å; S71-H73 PolarHBondContact O-N 3.24Å; S71-N75 WeakPolarHBondContact O-CB 3.17Å; S71-N75 VanDerWaalsContact O-CG 3.26Å; S71-N75 PolarHBondContact O-N 3.29Å; S71-N75 PolarHBondContact O-ND2 2.76Å
72R75.5Confident76.2Confident159 Ų15975.6 Ų75.660%0.641%0.409SS*.Hα-helixtrans-64.4-32.2171.3-81.7176.6-76.4167.2-13.2112.7D68 Q69 I76D68-R72 VanDerWaalsContact O-CB 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 WeakPolarHBondContact O-CG 3.36Å; D68-R72 PolarHBondContact O-N 2.91Å; D68-R72 PolarHBondContact O-NE 3.11Å; Q69-R72 PolarHBondContact O-N 3.42Å; R72-I76 PolarHBondContact O-N 3.48Å
73H80.8Confident76Confident27 Ų2777.6 Ų77.613%0.12541%0.409CS..Hα-helixtrans-79.1-41.3177.5169.873.6000113.2C57 C60 F64 Q69 M70 S71 N75 I76 H77C57-H73 WeakPolarHBondContact CB-NE2 3.42Å; C57-H73 PolarHBondContact SG-NE2 3.14Å; C60-H73 PolarHBondContact SG-CE1 3.44Å; C60-H73 PolarHBondContact SG-NE2 3.45Å; F64-H73 HydrophobicContact CD1-CB 4.45Å; F64-H73 HydrophobicContact CE1-CB 3.76Å; F64-H73 AromaticContact CE1-CG 3.83Å; F64-H73 HydrophobicContact CE2-CB 4.01Å; F64-H73 AromaticContact CE2-CD2 3.13Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.29Å; F64-H73 AromaticContact CE2-CG 3.53Å; F64-H73 AromaticContact CE2-NE2 3.61Å; F64-H73 HydrophobicContact CZ-CB 3.54Å; F64-H73 AromaticContact CZ-CD2 3.23Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.3Å; F64-H73 AromaticContact CZ-CE1 3.77Å; F64-H73 AromaticContact CZ-CG 3.11Å; F64-H73 AromaticContact CZ-ND1 3.49Å; F64-H73 WeakPolarHBondContact CZ-ND1 2.93Å; F64-H73 AromaticContact CZ-NE2 3.63Å; Q69-H73 VanDerWaalsContact O-CB 3.3Å; Q69-H73 WeakPolarHBondContact O-CB 3.27Å; Q69-H73 PolarHBondContact O-N 3.48Å; M70-H73 CarbonylContact O-C 3.5Å; M70-H73 PolarHBondContact O-N 2.91Å; M70-H73 VanDerWaalsContact O-N 3.11Å; S71-H73 VanDerWaalsContact C-N 3.27Å; S71-H73 PolarHBondContact O-N 3.24Å; H73-N75 PolarHBondContact O-N 2.84Å; H73-I76 WeakPolarHBondContact O-CA 3.3Å; H73-I76 VanDerWaalsContact O-CB 3.25Å; H73-I76 WeakPolarHBondContact O-CB 3.25Å; H73-I76 PolarHBondContact O-N 3.42Å; H73-H77 AromaticContact CD2-CD2 3.92Å; H73-H77 AromaticContact CE1-CD2 3.66Å; H73-H77 AromaticContact CE1-NE2 3.26Å; H73-H77 PolarHBondContact CE1-NE2 2.94Å; H73-H77 VanDerWaalsContact CE1-NE2 3.26Å; H73-H77 AromaticContact NE2-CD2 3.4Å; H73-H77 PolarHBondContact NE2-CD2 3Å; H73-H77 AromaticContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact NE2-NE2 2.83Å; H73-H77 VanDerWaalsContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact O-N 2.91Å; H73-H77 VanDerWaalsContact O-N 3.17Å
74L76.2Confident75.7Confident51 Ų5173.4 Ų73.427%0.26740%0.395SS..Hα-helixtrans-60.4-35.3169.1-73174.1000110.2M70 I76 H77 N78M70-L74 HydrophobicContact CE-CD1 4.24Å; M70-L74 HydrophobicContact CG-CD1 3.84Å; M70-L74 HydrophobicContact CG-CG 3.91Å; M70-L74 WeakPolarHBondContact O-CB 3.41Å; M70-L74 WeakPolarHBondContact O-CG 3.5Å; M70-L74 PolarHBondContact O-N 3.2Å; L74-I76 PolarHBondContact O-N 3.43Å; L74-H77 CarbonylContact O-C 3.56Å; L74-H77 WeakPolarHBondContact O-CA 3.41Å; L74-H77 WeakPolarHBondContact O-CB 3.15Å; L74-H77 PolarHBondContact O-N 2.76Å; L74-H77 VanDerWaalsContact O-N 3.07Å; L74-N78 WeakPolarHBondContact O-CB 3.14Å; L74-N78 PolarHBondContact O-N 2.98Å; L74-N78 PolarHBondContact O-ND2 3Å; L74-N78 PolarHBondContact O-OD1 2.78Å
75N72.3Confident75.3Confident95 Ų9571.9 Ų71.951%0.50839%0.389SS..Hα-helixtrans-60.4-30.8169.1-79.5-24000113.2S71 H73 T79S71-N75 WeakPolarHBondContact O-CB 3.17Å; S71-N75 VanDerWaalsContact O-CG 3.26Å; S71-N75 PolarHBondContact O-N 3.29Å; S71-N75 PolarHBondContact O-ND2 2.76Å; H73-N75 PolarHBondContact O-N 2.84Å; N75-T79 WeakPolarHBondContact O-CG2 3.39Å; N75-T79 PolarHBondContact O-N 3.15Å
76I67.5Low74.8Confident66 Ų6669.7 Ų69.734%0.33838%0.384SS..Hα-helixtrans-68.1-43.2171.8-59.1168000110.1R72 H73 L74 T79 V84R72-I76 PolarHBondContact O-N 3.48Å; H73-I76 WeakPolarHBondContact O-CA 3.3Å; H73-I76 VanDerWaalsContact O-CB 3.25Å; H73-I76 WeakPolarHBondContact O-CB 3.25Å; H73-I76 PolarHBondContact O-N 3.42Å; L74-I76 PolarHBondContact O-N 3.43Å; I76-T79 PolarHBondContact O-N 2.96Å; I76-T79 PolarHBondContact O-OG1 3.29Å; I76-V84 HydrophobicContact CG2-CG2 4.34Å
77H69.5Low74.5Confident24 Ų2473.5 Ų73.511%0.11140%0.398CS..Hα-helixtrans-62.2-45.5173-74.6-73.6000112.4C57 I59 C60 H73 L74 T79 G80C57-H77 VanDerWaalsContact SG-CD2 3.56Å; C57-H77 PolarHBondContact SG-NE2 2.97Å; I59-H77 HydrophobicContact CD1-CB 3.73Å; I59-H77 VanDerWaalsContact CG2-CE1 3.46Å; I59-H77 WeakPolarHBondContact CG2-CE1 3.09Å; I59-H77 VanDerWaalsContact CG2-ND1 3.3Å; I59-H77 WeakPolarHBondContact CG2-ND1 3.36Å; C60-H77 PolarHBondContact SG-NE2 3.41Å; H73-H77 AromaticContact CD2-CD2 3.92Å; H73-H77 AromaticContact CE1-CD2 3.66Å; H73-H77 AromaticContact CE1-NE2 3.26Å; H73-H77 PolarHBondContact CE1-NE2 2.94Å; H73-H77 VanDerWaalsContact CE1-NE2 3.26Å; H73-H77 AromaticContact NE2-CD2 3.4Å; H73-H77 PolarHBondContact NE2-CD2 3Å; H73-H77 AromaticContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact NE2-NE2 2.83Å; H73-H77 VanDerWaalsContact NE2-NE2 3.15Å; H73-H77 PolarHBondContact O-N 2.91Å; H73-H77 VanDerWaalsContact O-N 3.17Å; L74-H77 CarbonylContact O-C 3.56Å; L74-H77 WeakPolarHBondContact O-CA 3.41Å; L74-H77 WeakPolarHBondContact O-CB 3.15Å; L74-H77 PolarHBondContact O-N 2.76Å; L74-H77 VanDerWaalsContact O-N 3.07Å; H77-T79 PolarHBondContact O-N 3.38Å; H77-G80 PolarHBondContact O-N 3.04Å
78N60.9Low74.4Confident124 Ų12473.1 Ų73.166%0.66339%0.394SS*.Hα-helixtrans-65.1-20.9177-63.3-15.7000112.9L74 G80L74-N78 WeakPolarHBondContact O-CB 3.14Å; L74-N78 PolarHBondContact O-N 2.98Å; L74-N78 PolarHBondContact O-ND2 3Å; L74-N78 PolarHBondContact O-OD1 2.78Å; N78-G80 PolarHBondContact O-N 2.96Å
79T60.5Low74.1Confident85 Ų8574.1 Ų74.152%0.52140%0.399SS..THydrogen-bonded Turntrans-71.7-2.4169.269.30000113.8N75 I76 H77 K81N75-T79 WeakPolarHBondContact O-CG2 3.39Å; N75-T79 PolarHBondContact O-N 3.15Å; I76-T79 PolarHBondContact O-N 2.96Å; I76-T79 PolarHBondContact O-OG1 3.29Å; H77-T79 PolarHBondContact O-N 3.38Å; T79-K81 VanDerWaalsContact C-N 3.27Å; T79-K81 PolarHBondContact O-N 3.14Å
80G63.9Low74.1Confident45 Ų4571.7 Ų71.746%0.46439%0.394SS..THydrogen-bonded Turntrans68.723.9-177.400000113.2H77 N78 N93H77-G80 PolarHBondContact O-N 3.04Å; N78-G80 PolarHBondContact O-N 2.96Å; G80-N93 WeakPolarHBondContact O-CA 3.43Å; G80-N93 WeakPolarHBondContact O-CB 3.11Å
81K73.9Confident73.6Confident70 Ų7072.1 Ų72.130%0.30440%0.4SS..  trans-132.770-172.6-64.2-166.3-179.2-161.60113.7T79 Y83 F92 N93T79-K81 VanDerWaalsContact C-N 3.27Å; T79-K81 PolarHBondContact O-N 3.14Å; K81-Y83 VanDerWaalsContact C-N 3.3Å; K81-Y83 PolarHBondContact O-N 3.19Å; K81-F92 CarbonylContact C-O 3.48Å; K81-F92 WeakPolarHBondContact CA-O 3.35Å; K81-N93 HydrophobicContact CG-CB 4.34Å
82P69.8Low73.7Confident62 Ų6270.4 Ų70.440%0.40339%0.386SS..  trans-69.5-20.2-175.127.4-33.9000114.5
83Y76.3Confident73.8Confident102 Ų10264.1 Ų64.140%0.436%0.364SS..EExtended strand (participates in β ladder)trans-95.3106.3-172.7-61.1-77000112.1K81 S91 F92 N93 A95K81-Y83 VanDerWaalsContact C-N 3.3Å; K81-Y83 PolarHBondContact O-N 3.19Å; Y83-S91 CarbonylContact O-C 3.51Å; Y83-S91 WeakPolarHBondContact O-CA 3.22Å; Y83-F92 PolarHBondContact N-O 3.36Å; Y83-F92 WeakPolarHBondContact O-CD2 3.49Å; Y83-F92 PolarHBondContact O-N 3.42Å; Y83-N93 WeakPolarHBondContact CD2-O 3.17Å; Y83-N93 WeakPolarHBondContact CE2-O 3.17Å; Y83-A95 HydrophobicContact CD1-CB 4Å; Y83-A95 HydrophobicContact CD2-CB 4.5Å; Y83-A95 HydrophobicContact CE1-CB 3.71Å; Y83-A95 HydrophobicContact CE2-CB 4.24Å; Y83-A95 HydrophobicContact CG-CB 4.38Å
84V77.3Confident73.6Confident63 Ų6364.7 Ų64.738%0.38237%0.367SS..EExtended strand (participates in β ladder)trans-104.5134.4-177.8-173.40000112.3I76 S86 N89I76-V84 HydrophobicContact CG2-CG2 4.34Å; V84-S86 PolarHBondContact O-N 2.66Å; V84-N89 HydrophobicContact CG1-CB 4.45Å
85C79.7Confident73.6Confident0 Ų064.2 Ų64.20%037%0.37CS..  trans-74.9110.8176.4179.60000112.3H87 C88 N89 A90 F92 L98 H101C85-H87 PolarHBondContact O-N 3.14Å; C85-C88 PolarHBondContact O-N 3.35Å; C85-C88 VanDerWaalsContact O-N 3.16Å; C85-N89 WeakPolarHBondContact O-CA 3.44Å; C85-N89 PolarHBondContact O-N 3.44Å; C85-A90 HydrophobicContact CB-CB 4.42Å; C85-A90 PolarHBondContact N-O 3.15Å; C85-F92 HydrophobicContact CB-CE2 4.15Å; C85-L98 VanDerWaalsContact CA-CD1 3.46Å; C85-L98 HydrophobicContact CB-CD1 3.56Å; C85-H101 PolarHBondContact SG-CD2 2.96Å; C85-H101 PolarHBondContact SG-NE2 3.32Å; C85-H101 VanDerWaalsContact SG-NE2 3.35Å
86S74.9Confident73.8Confident96 Ų9664 Ų6467%0.67137%0.366SS*.THydrogen-bonded Turntrans-57.1-14.1176.858.50000115.5V84V84-S86 PolarHBondContact O-N 2.66Å
87H76.3Confident74.4Confident119 Ų11960.9 Ų60.955%0.55135%0.35SS*.THydrogen-bonded Turntrans-100.2-15.5-179.9-61.1-52.1000115C85 H106C85-H87 PolarHBondContact O-N 3.14Å; H87-H106 HydrophobicContact CB-CB 4.44Å; H87-H106 WeakPolarHBondContact CB-CE1 3.12Å; H87-H106 VanDerWaalsContact CB-ND1 3.3Å; H87-H106 WeakPolarHBondContact CB-ND1 3.34Å; H87-H106 VanDerWaalsContact CD2-CB 3.46Å; H87-H106 WeakPolarHBondContact CD2-CB 3.47Å; H87-H106 AromaticContact CD2-CG 3.55Å; H87-H106 AromaticContact CG-CG 3.86Å; H87-H106 AromaticContact CG-ND1 3.87Å
88C82.7Confident75Confident65 Ų6561 Ų6144%0.43935%0.352SS..THydrogen-bonded Turntrans-151.56179.4730000116C85 A90 H101C85-C88 PolarHBondContact O-N 3.35Å; C85-C88 VanDerWaalsContact O-N 3.16Å; C88-A90 PolarHBondContact O-N 2.87Å; C88-H101 VanDerWaalsContact SG-CE1 3.52Å; C88-H101 PolarHBondContact SG-NE2 3.16Å
89N76.2Confident76Confident132 Ų13260.5 Ų60.571%0.70634%0.341SS*.  trans57.620.8-177.8-63.68.1000115.7V84 C85V84-N89 HydrophobicContact CG1-CB 4.45Å; C85-N89 WeakPolarHBondContact O-CA 3.44Å; C85-N89 PolarHBondContact O-N 3.44Å
90A78.7Confident77Confident33 Ų3356.4 Ų56.427%0.27332%0.316SS..  trans-69.9129.8168.500000110.5C85 C88 F92C85-A90 HydrophobicContact CB-CB 4.42Å; C85-A90 PolarHBondContact N-O 3.15Å; C88-A90 PolarHBondContact O-N 2.87Å; A90-F92 HydrophobicContact CB-CE2 3.77Å; A90-F92 HydrophobicContact CB-CZ 3.75Å; A90-F92 WeakPolarHBondContact O-CD2 3.4Å; A90-F92 VanDerWaalsContact O-CE2 3.23Å; A90-F92 WeakPolarHBondContact O-CE2 3.34Å
91S73.1Confident77.9Confident44 Ų4455.2 Ų55.231%0.30830%0.298SS..EExtended strand (participates in β ladder)trans-98.7145.9177.959.30000112.8Y83Y83-S91 CarbonylContact O-C 3.51Å; Y83-S91 WeakPolarHBondContact O-CA 3.22Å
92F81.5Confident78.1Confident16 Ų1653.7 Ų53.77%0.0729%0.293CS..EExtended strand (participates in β ladder)trans-135.4146.8-175.2-57.3-82.1000110.8K81 Y83 C85 A90 N97 L98 H101K81-F92 CarbonylContact C-O 3.48Å; K81-F92 WeakPolarHBondContact CA-O 3.35Å; Y83-F92 PolarHBondContact N-O 3.36Å; Y83-F92 WeakPolarHBondContact O-CD2 3.49Å; Y83-F92 PolarHBondContact O-N 3.42Å; C85-F92 HydrophobicContact CB-CE2 4.15Å; A90-F92 HydrophobicContact CB-CE2 3.77Å; A90-F92 HydrophobicContact CB-CZ 3.75Å; A90-F92 WeakPolarHBondContact O-CD2 3.4Å; A90-F92 VanDerWaalsContact O-CE2 3.23Å; A90-F92 WeakPolarHBondContact O-CE2 3.34Å; F92-N97 HydrophobicContact CB-CB 4.02Å; F92-N97 HydrophobicContact CD1-CB 3.84Å; F92-N97 HydrophobicContact CG-CB 4.19Å; F92-L98 HydrophobicContact CB-CB 4.28Å; F92-L98 HydrophobicContact CD2-CB 3.77Å; F92-L98 HydrophobicContact CD2-CD1 3.81Å; F92-L98 HydrophobicContact CD2-CG 4.4Å; F92-L98 HydrophobicContact CE2-CD1 3.94Å; F92-L98 HydrophobicContact CG-CB 4.2Å; F92-H101 HydrophobicContact CE1-CB 3.94Å; F92-H101 HydrophobicContact CE2-CB 3.91Å; F92-H101 AromaticContact CE2-CD2 3.92Å; F92-H101 AromaticContact CE2-CG 3.79Å; F92-H101 HydrophobicContact CZ-CB 3.41Å; F92-H101 VanDerWaalsContact CZ-CB 3.41Å; F92-H101 AromaticContact CZ-CD2 3.89Å; F92-H101 AromaticContact CZ-CG 3.32Å; F92-H101 AromaticContact CZ-ND1 3.56Å
93N78.3Confident78.6Confident27 Ų2750.9 Ų50.914%0.14428%0.275CS..SBendtrans-71.8-33.117661.1-28.4000113G80 K81 Y83 N97 D140G80-N93 WeakPolarHBondContact O-CA 3.43Å; G80-N93 WeakPolarHBondContact O-CB 3.11Å; K81-N93 HydrophobicContact CG-CB 4.34Å; Y83-N93 WeakPolarHBondContact CD2-O 3.17Å; Y83-N93 WeakPolarHBondContact CE2-O 3.17Å; N93-N97 PolarHBondContact OD1-ND2 3.02Å; N93-D140 VanDerWaalsContact ND2-C 3.32Å; N93-D140 PolarHBondContact ND2-O 2.88Å
94Q76.4Confident78.6Confident40 Ų4046.4 Ų46.419%0.18726%0.258CS..SBendtrans-126.5147.8-174.4-71.4-179.5-10.700111.4E96 N97 L98Q94-E96 VanDerWaalsContact C-N 3.25Å; Q94-E96 WeakPolarHBondContact CB-OE2 3.22Å; Q94-E96 PolarHBondContact O-N 3.14Å; Q94-N97 PolarHBondContact O-N 3.33Å; Q94-L98 PolarHBondContact O-N 3.27Å
95A76.4Confident78.6Confident40 Ų4049.7 Ų49.733%0.33126%0.264SS..Hα-helixtrans-64.5-33.8-179.100000111.5Y83 N97 L98 Y99Y83-A95 HydrophobicContact CD1-CB 4Å; Y83-A95 HydrophobicContact CD2-CB 4.5Å; Y83-A95 HydrophobicContact CE1-CB 3.71Å; Y83-A95 HydrophobicContact CE2-CB 4.24Å; Y83-A95 HydrophobicContact CG-CB 4.38Å; A95-N97 VanDerWaalsContact C-N 3.35Å; A95-N97 PolarHBondContact O-N 3.23Å; A95-L98 WeakPolarHBondContact O-CB 3.4Å; A95-L98 PolarHBondContact O-N 3.01Å; A95-Y99 WeakPolarHBondContact O-CB 3.41Å; A95-Y99 PolarHBondContact O-N 2.65Å
96E76Confident78.3Confident91 Ų9152.4 Ų52.443%0.42528%0.277SS..Hα-helixtrans-61.1-42.3176.1-63.480.4178.400111.1Q94 Y99 V100 L119Q94-E96 VanDerWaalsContact C-N 3.25Å; Q94-E96 WeakPolarHBondContact CB-OE2 3.22Å; Q94-E96 PolarHBondContact O-N 3.14Å; E96-Y99 PolarHBondContact O-N 3.33Å; E96-V100 WeakPolarHBondContact O-CB 3.48Å; E96-V100 VanDerWaalsContact O-CG2 3.23Å; E96-V100 WeakPolarHBondContact O-CG2 3.48Å; E96-V100 PolarHBondContact O-N 3.31Å; E96-L119 HydrophobicContact CB-CD1 4.19Å; E96-L119 HydrophobicContact CB-CD2 4.16Å; E96-L119 HydrophobicContact CG-CD2 3.86Å
97N80Confident78.2Confident0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-67-40.7177.4-71.7-29.5000111.4F92 N93 Q94 A95 V100 H101 H137 Q138 I139F92-N97 HydrophobicContact CB-CB 4.02Å; F92-N97 HydrophobicContact CD1-CB 3.84Å; F92-N97 HydrophobicContact CG-CB 4.19Å; N93-N97 PolarHBondContact OD1-ND2 3.02Å; Q94-N97 PolarHBondContact O-N 3.33Å; A95-N97 VanDerWaalsContact C-N 3.35Å; A95-N97 PolarHBondContact O-N 3.23Å; N97-V100 PolarHBondContact O-N 3Å; N97-H101 VanDerWaalsContact O-CB 3.3Å; N97-H101 WeakPolarHBondContact O-CB 3.44Å; N97-H101 PolarHBondContact O-N 3.05Å; N97-H137 PolarHBondContact OD1-O 3.19Å; N97-Q138 WeakPolarHBondContact OD1-CA 3.27Å; N97-I139 VanDerWaalsContact ND2-C 3.33Å; N97-I139 PolarHBondContact ND2-O 2.83Å; N97-I139 PolarHBondContact OD1-N 2.83Å
98L81.9Confident76.8Confident28 Ų2852.1 Ų52.115%0.14727%0.271CS..Hα-helixtrans-60.8-46171171.759.3000111.2C85 F92 Q94 A95 H101 I102C85-L98 VanDerWaalsContact CA-CD1 3.46Å; C85-L98 HydrophobicContact CB-CD1 3.56Å; F92-L98 HydrophobicContact CB-CB 4.28Å; F92-L98 HydrophobicContact CD2-CB 3.77Å; F92-L98 HydrophobicContact CD2-CD1 3.81Å; F92-L98 HydrophobicContact CD2-CG 4.4Å; F92-L98 HydrophobicContact CE2-CD1 3.94Å; F92-L98 HydrophobicContact CG-CB 4.2Å; Q94-L98 PolarHBondContact O-N 3.27Å; A95-L98 WeakPolarHBondContact O-CB 3.4Å; A95-L98 PolarHBondContact O-N 3.01Å; L98-H101 WeakPolarHBondContact O-CB 3.49Å; L98-H101 PolarHBondContact O-N 3.33Å; L98-I102 HydrophobicContact CD1-CD1 3.72Å; L98-I102 HydrophobicContact CD1-CG1 4.03Å; L98-I102 HydrophobicContact CG-CD1 3.91Å; L98-I102 WeakPolarHBondContact O-CG1 3.43Å; L98-I102 PolarHBondContact O-N 2.97Å
99Y81.5Confident75Confident112 Ų11251.7 Ų51.744%0.43927%0.268SS..Hα-helixtrans-65.4-41.6179.3-167-75.9000112.2A95 E96 H101 I102 S103 C118A95-Y99 WeakPolarHBondContact O-CB 3.41Å; A95-Y99 PolarHBondContact O-N 2.65Å; E96-Y99 PolarHBondContact O-N 3.33Å; Y99-H101 VanDerWaalsContact C-N 3.32Å; Y99-H101 PolarHBondContact O-N 3.3Å; Y99-I102 PolarHBondContact O-N 3.31Å; Y99-S103 VanDerWaalsContact CD1-OG 3.3Å; Y99-S103 WeakPolarHBondContact CD1-OG 3.46Å; Y99-S103 WeakPolarHBondContact CE1-OG 3.35Å; Y99-S103 VanDerWaalsContact O-CB 3.23Å; Y99-S103 WeakPolarHBondContact O-CB 3.41Å; Y99-S103 PolarHBondContact O-N 3.31Å; Y99-S103 PolarHBondContact O-OG 2.8Å; Y99-C118 WeakPolarHBondContact CD1-SG 3.45Å; Y99-C118 HydrophobicContact CE1-CB 4.23Å; Y99-C118 WeakPolarHBondContact CE1-SG 3.5Å
100V81.8Confident73.8Confident0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-60.8-43.6173.9165.70000110.3E96 N97 S103 L104 L119 L134 H137 Q138E96-V100 WeakPolarHBondContact O-CB 3.48Å; E96-V100 VanDerWaalsContact O-CG2 3.23Å; E96-V100 WeakPolarHBondContact O-CG2 3.48Å; E96-V100 PolarHBondContact O-N 3.31Å; N97-V100 PolarHBondContact O-N 3Å; V100-S103 PolarHBondContact O-N 3.37Å; V100-L104 HydrophobicContact CG1-CD1 3.62Å; V100-L104 HydrophobicContact CG1-CG 4.23Å; V100-L104 VanDerWaalsContact O-CB 3.24Å; V100-L104 WeakPolarHBondContact O-CB 3.2Å; V100-L104 WeakPolarHBondContact O-CG 3.5Å; V100-L104 PolarHBondContact O-N 3.36Å; V100-L119 HydrophobicContact CG2-CD1 3.52Å; V100-L134 HydrophobicContact CG1-CB 4.26Å; V100-L134 WeakPolarHBondContact CG1-O 3.1Å; V100-L134 HydrophobicContact CG2-CD2 4.27Å; V100-H137 HydrophobicContact CG2-CB 3.78Å; V100-Q138 HydrophobicContact CB-CG 4.48Å; V100-Q138 HydrophobicContact CG1-CG 3.5Å
101H82.7Confident72.6Confident19 Ų1957.6 Ų57.69%0.08829%0.29CS..Hα-helixtrans-62.1-50.9175.117088.6000111.9C85 C88 F92 N97 L98 Y99 S103 L104 Y105 H106C85-H101 PolarHBondContact SG-CD2 2.96Å; C85-H101 PolarHBondContact SG-NE2 3.32Å; C85-H101 VanDerWaalsContact SG-NE2 3.35Å; C88-H101 VanDerWaalsContact SG-CE1 3.52Å; C88-H101 PolarHBondContact SG-NE2 3.16Å; F92-H101 HydrophobicContact CE1-CB 3.94Å; F92-H101 HydrophobicContact CE2-CB 3.91Å; F92-H101 AromaticContact CE2-CD2 3.92Å; F92-H101 AromaticContact CE2-CG 3.79Å; F92-H101 HydrophobicContact CZ-CB 3.41Å; F92-H101 VanDerWaalsContact CZ-CB 3.41Å; F92-H101 AromaticContact CZ-CD2 3.89Å; F92-H101 AromaticContact CZ-CG 3.32Å; F92-H101 AromaticContact CZ-ND1 3.56Å; N97-H101 VanDerWaalsContact O-CB 3.3Å; N97-H101 WeakPolarHBondContact O-CB 3.44Å; N97-H101 PolarHBondContact O-N 3.05Å; L98-H101 WeakPolarHBondContact O-CB 3.49Å; L98-H101 PolarHBondContact O-N 3.33Å; Y99-H101 VanDerWaalsContact C-N 3.32Å; Y99-H101 PolarHBondContact O-N 3.3Å; H101-S103 PolarHBondContact O-N 3.23Å; H101-L104 PolarHBondContact O-N 3.49Å; H101-L104 VanDerWaalsContact O-N 3.12Å; H101-Y105 AromaticContact CE1-CD2 3.96Å; H101-Y105 AromaticContact ND1-CD2 3.53Å; H101-Y105 WeakPolarHBondContact O-CB 3.49Å; H101-Y105 WeakPolarHBondContact O-CD2 3.38Å; H101-Y105 PolarHBondContact O-N 3.15Å; H101-H106 AromaticContact CD2-CD2 3.9Å; H101-H106 AromaticContact NE2-CD2 3.52Å; H101-H106 AromaticContact NE2-NE2 3.26Å; H101-H106 PolarHBondContact NE2-NE2 3.09Å
102I78.6Confident71.8Confident39 Ų3960.7 Ų60.720%0.230%0.3CS..Hα-helixtrans-55-44.3174.8-72.3170.1000110.2L98 Y99 L104 H106 T107L98-I102 HydrophobicContact CD1-CD1 3.72Å; L98-I102 HydrophobicContact CD1-CG1 4.03Å; L98-I102 HydrophobicContact CG-CD1 3.91Å; L98-I102 WeakPolarHBondContact O-CG1 3.43Å; L98-I102 PolarHBondContact O-N 2.97Å; Y99-I102 PolarHBondContact O-N 3.31Å; I102-L104 PolarHBondContact O-N 3.05Å; I102-H106 HydrophobicContact CG2-CB 4.46Å; I102-H106 CarbonylContact O-C 3.54Å; I102-H106 WeakPolarHBondContact O-CA 3.34Å; I102-H106 WeakPolarHBondContact O-CB 3.22Å; I102-H106 PolarHBondContact O-N 3.1Å; I102-T107 HydrophobicContact CG2-CG2 3.84Å; I102-T107 PolarHBondContact O-N 3.45Å
103S79.9Confident71.4Confident2 Ų266 Ų661%0.01433%0.329CS..Hα-helixtrans-66.3-33.4178.7-650000114.3Y99 V100 H101 T107Y99-S103 VanDerWaalsContact CD1-OG 3.3Å; Y99-S103 WeakPolarHBondContact CD1-OG 3.46Å; Y99-S103 WeakPolarHBondContact CE1-OG 3.35Å; Y99-S103 VanDerWaalsContact O-CB 3.23Å; Y99-S103 WeakPolarHBondContact O-CB 3.41Å; Y99-S103 PolarHBondContact O-N 3.31Å; Y99-S103 PolarHBondContact O-OG 2.8Å; V100-S103 PolarHBondContact O-N 3.37Å; H101-S103 PolarHBondContact O-N 3.23Å; S103-T107 VanDerWaalsContact CA-OG1 3.31Å; S103-T107 WeakPolarHBondContact CA-OG1 3.32Å; S103-T107 PolarHBondContact O-OG1 2.75Å
104L76.9Confident71.4Confident8 Ų869.5 Ų69.54%0.04234%0.344CS..Hα-helixtrans-84-28.6-177-80.5174.7000114.2V100 H101 I102 K131 L134 L135V100-L104 HydrophobicContact CG1-CD1 3.62Å; V100-L104 HydrophobicContact CG1-CG 4.23Å; V100-L104 VanDerWaalsContact O-CB 3.24Å; V100-L104 WeakPolarHBondContact O-CB 3.2Å; V100-L104 WeakPolarHBondContact O-CG 3.5Å; V100-L104 PolarHBondContact O-N 3.36Å; H101-L104 PolarHBondContact O-N 3.49Å; H101-L104 VanDerWaalsContact O-N 3.12Å; I102-L104 PolarHBondContact O-N 3.05Å; L104-K131 HydrophobicContact CD2-CB 4.29Å; L104-K131 HydrophobicContact CD2-CD 4Å; L104-K131 HydrophobicContact CD2-CG 3.65Å; L104-K131 PolarHBondContact O-NZ 3.33Å; L104-L134 HydrophobicContact CD1-CB 4.33Å; L104-L134 HydrophobicContact CD2-CB 3.75Å; L104-L134 HydrophobicContact CD2-CD1 3.89Å; L104-L134 HydrophobicContact CG-CB 3.94Å; L104-L134 HydrophobicContact CG-CD1 3.96Å; L104-L135 HydrophobicContact CD1-CD2 3.72Å; L104-L135 HydrophobicContact CD1-CG 4.18Å; L104-L135 HydrophobicContact CD2-CG 4.37Å
105Y76.5Confident71.7Confident132 Ų13268.8 Ų68.852%0.51834%0.34SS..Hα-helixtrans-126.3-23.8-166.4-63.4-78.6000114.6H101H101-Y105 AromaticContact CE1-CD2 3.96Å; H101-Y105 AromaticContact ND1-CD2 3.53Å; H101-Y105 WeakPolarHBondContact O-CB 3.49Å; H101-Y105 WeakPolarHBondContact O-CD2 3.38Å; H101-Y105 PolarHBondContact O-N 3.15Å
106H73.9Confident71.9Confident58 Ų5870 Ų7027%0.26934%0.341SS..THydrogen-bonded Turntrans-120.9-35.6-172.8-62.3-65.1000114.5H87 H101 I102 M108H87-H106 HydrophobicContact CB-CB 4.44Å; H87-H106 WeakPolarHBondContact CB-CE1 3.12Å; H87-H106 VanDerWaalsContact CB-ND1 3.3Å; H87-H106 WeakPolarHBondContact CB-ND1 3.34Å; H87-H106 VanDerWaalsContact CD2-CB 3.46Å; H87-H106 WeakPolarHBondContact CD2-CB 3.47Å; H87-H106 AromaticContact CD2-CG 3.55Å; H87-H106 AromaticContact CG-CG 3.86Å; H87-H106 AromaticContact CG-ND1 3.87Å; H101-H106 AromaticContact CD2-CD2 3.9Å; H101-H106 AromaticContact NE2-CD2 3.52Å; H101-H106 AromaticContact NE2-NE2 3.26Å; H101-H106 PolarHBondContact NE2-NE2 3.09Å; I102-H106 HydrophobicContact CG2-CB 4.46Å; I102-H106 CarbonylContact O-C 3.54Å; I102-H106 WeakPolarHBondContact O-CA 3.34Å; I102-H106 WeakPolarHBondContact O-CB 3.22Å; I102-H106 PolarHBondContact O-N 3.1Å; H106-M108 PolarHBondContact O-N 3.49Å
107T72.3Confident72Confident51 Ų5165.7 Ų65.731%0.31332%0.321SS..  trans-7696.9175.166.60000111.7I102 S103 C109I102-T107 HydrophobicContact CG2-CG2 3.84Å; I102-T107 PolarHBondContact O-N 3.45Å; S103-T107 VanDerWaalsContact CA-OG1 3.31Å; S103-T107 WeakPolarHBondContact CA-OG1 3.32Å; S103-T107 PolarHBondContact O-OG1 2.75Å; T107-C109 PolarHBondContact O-N 3.47Å
108M47.9Very low71.5Confident158 Ų15868.4 Ų68.478%0.77834%0.339SS*.  trans-79.256.5175.9-70.1-80.4-84.700112.4H106 E110H106-M108 PolarHBondContact O-N 3.49Å; M108-E110 PolarHBondContact O-N 3.46Å
109C44.6Very low70.9Confident55 Ų5569.6 Ų69.637%0.37235%0.345SS..  trans-78.555.3178.4-75.60000113.4T107 N111 Y115T107-C109 PolarHBondContact O-N 3.47Å; C109-N111 PolarHBondContact O-N 3.19Å; C109-N111 VanDerWaalsContact O-N 3.1Å; C109-Y115 WeakPolarHBondContact O-CE1 3.28Å; C109-Y115 PolarHBondContact O-OH 3.39Å
110E51.6Low70.9Confident149 Ų14966.3 Ų66.370%0.69634%0.338SS*.THydrogen-bonded Turntrans-69.6-1.9179.1-73.2-161143.200114.7M108M108-E110 PolarHBondContact O-N 3.46Å
111N53Low70.6Confident141 Ų14171.9 Ų71.975%0.75437%0.368SS*.THydrogen-bonded Turntrans-117.28.5-171.3-77.2-19000116.1C109C109-N111 PolarHBondContact O-N 3.19Å; C109-N111 VanDerWaalsContact O-N 3.1Å
112Q56.3Low70.5Confident108 Ų10877 Ų7751%0.50539%0.39SS..  trans-87.2132.6171.3-66.2-178.1-10.900110.6H114Q112-H114 WeakPolarHBondContact CB-O 3.23Å; Q112-H114 PolarHBondContact O-N 3.07Å
113D72.8Confident70.6Confident129 Ų12984.3 Ų84.369%0.6942%0.415SS*.SBendtrans-63.9-22.1175.4-81.1-42.2000112.4
114H77.6Confident70.9Confident99 Ų9986.1 Ų86.146%0.45842%0.423SS..SBendtrans-141.9136.1-178.3-46.183.3000108.8Q112Q112-H114 WeakPolarHBondContact CB-O 3.23Å; Q112-H114 PolarHBondContact O-N 3.07Å
115Y83.5Confident71.1Confident25 Ų2592.2 Ų92.210%0.09845%0.454CS..EExtended strand (participates in β ladder)trans-103.6116.3176.1-62.6-97.6000109C109 R123 F124 F127 Y130C109-Y115 WeakPolarHBondContact O-CE1 3.28Å; C109-Y115 PolarHBondContact O-OH 3.39Å; Y115-R123 CarbonylContact O-C 3.59Å; Y115-F124 PolarHBondContact N-O 3.39Å; Y115-F124 PolarHBondContact O-N 3.47Å; Y115-F127 AromaticContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CE1-CB 4.1Å; Y115-F127 AromaticContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CD2 3.49Å; Y115-F127 VanDerWaalsContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CE2 4.37Å; Y115-F127 HydrophobicContact CE1-CG 4.22Å; Y115-F127 HydrophobicContact CE2-CB 3.99Å; Y115-Y130 AromaticContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CE1 4.18Å; Y115-Y130 HydrophobicContact CD1-CG 4.29Å; Y115-Y130 HydrophobicContact CG-CD1 4.15Å; Y115-Y130 HydrophobicContact CG-CG 4.12Å
116N80Confident71.3Confident66 Ų6695 Ų9535%0.35346%0.464SS..EExtended strand (participates in β ladder)trans-97.3134.6177.3-59.8-6000109.4R123 Y130N116-R123 WeakPolarHBondContact OD1-CD 3.11Å; N116-R123 WeakPolarHBondContact OD1-CG 3.02Å; N116-Y130 WeakPolarHBondContact O-CE2 3.5Å
117C78Confident71.7Confident0 Ų095.8 Ų95.80%047%0.467CS..  trans-84112.7168.3-177.80000109.4L119 C120 D121 K122 F124 Y130 H133 H137C117-L119 PolarHBondContact O-N 2.93Å; C117-L119 VanDerWaalsContact O-N 3.15Å; C117-C120 PolarHBondContact O-N 3.29Å; C117-D121 WeakPolarHBondContact O-CA 3.47Å; C117-D121 PolarHBondContact O-N 3.33Å; C117-K122 PolarHBondContact N-O 3.44Å; C117-F124 HydrophobicContact CB-CE2 4.37Å; C117-Y130 HydrophobicContact CB-CE2 4.18Å; C117-H133 VanDerWaalsContact CB-NE2 3.34Å; C117-H133 WeakPolarHBondContact CB-NE2 3.35Å; C117-H133 PolarHBondContact SG-NE2 3.38Å; C117-H133 VanDerWaalsContact SG-NE2 3.36Å; C117-H137 PolarHBondContact SG-NE2 3.34Å
118C70.9Confident72Confident57 Ų5798.4 Ų98.439%0.38548%0.483SS..THydrogen-bonded Turntrans-57.7-23.1176.859.70000114.6Y99Y99-C118 WeakPolarHBondContact CD1-SG 3.45Å; Y99-C118 HydrophobicContact CE1-CB 4.23Å; Y99-C118 WeakPolarHBondContact CE1-SG 3.5Å
119L69Low73.7Confident54 Ų5492.7 Ų92.728%0.28346%0.461SS..THydrogen-bonded Turntrans-83.3-9.3-177.3-59.2-179.3000113.6E96 V100 C117 H137E96-L119 HydrophobicContact CB-CD1 4.19Å; E96-L119 HydrophobicContact CB-CD2 4.16Å; E96-L119 HydrophobicContact CG-CD2 3.86Å; V100-L119 HydrophobicContact CG2-CD1 3.52Å; C117-L119 PolarHBondContact O-N 2.93Å; C117-L119 VanDerWaalsContact O-N 3.15Å; L119-H137 HydrophobicContact CD1-CB 3.67Å; L119-H137 PolarHBondContact O-CE1 3.22Å; L119-H137 VanDerWaalsContact O-CE1 3.31Å
120C81.6Confident75.7Confident42 Ų4290.9 Ų90.928%0.28445%0.447SS..THydrogen-bonded Turntrans-160.316.7177.964.90000114.5C117 K122 H133 H137C117-C120 PolarHBondContact O-N 3.29Å; C120-K122 PolarHBondContact O-N 3.3Å; C120-H133 PolarHBondContact SG-CE1 2.62Å; C120-H133 PolarHBondContact SG-NE2 3.03Å; C120-H137 VanDerWaalsContact CB-CE1 3.46Å; C120-H137 WeakPolarHBondContact CB-CE1 3.4Å; C120-H137 PolarHBondContact SG-NE2 3.02Å
121D75.3Confident77.1Confident118 Ų11886.7 Ų86.763%0.63143%0.426SS*.  trans47.112.5-175.7-69-49.8000118.5C117 R123C117-D121 WeakPolarHBondContact O-CA 3.47Å; C117-D121 PolarHBondContact O-N 3.33Å; D121-R123 PolarHBondContact O-N 3.35Å
122K80.6Confident78Confident125 Ų12583.3 Ų83.354%0.54341%0.413SS..  trans-64.5124178.5-73.6174.2-172.5164.20110.5C117 C120 F124C117-K122 PolarHBondContact N-O 3.44Å; C120-K122 PolarHBondContact O-N 3.3Å; K122-F124 HydrophobicContact CB-CE2 3.58Å; K122-F124 HydrophobicContact CB-CZ 3.85Å; K122-F124 WeakPolarHBondContact O-CD2 3.42Å; K122-F124 WeakPolarHBondContact O-CE2 3.46Å
123R79.7Confident79.3Confident193 Ų19379.1 Ų79.173%0.72839%0.394SS*.EExtended strand (participates in β ladder)trans-92.2132.4180-50.2-159.2174168.8-2.5111.7Y115 N116 D121Y115-R123 CarbonylContact O-C 3.59Å; N116-R123 WeakPolarHBondContact OD1-CD 3.11Å; N116-R123 WeakPolarHBondContact OD1-CG 3.02Å; D121-R123 PolarHBondContact O-N 3.35Å
124F86.6Confident79.7Confident41 Ų4173 Ų7318%0.1836%0.361CS..EExtended strand (participates in β ladder)trans-125.1124.9-177.4-62.3-90.4000111.6Y115 C117 K122 R126 A129 Y130 H133Y115-F124 PolarHBondContact N-O 3.39Å; Y115-F124 PolarHBondContact O-N 3.47Å; C117-F124 HydrophobicContact CB-CE2 4.37Å; K122-F124 HydrophobicContact CB-CE2 3.58Å; K122-F124 HydrophobicContact CB-CZ 3.85Å; K122-F124 WeakPolarHBondContact O-CD2 3.42Å; K122-F124 WeakPolarHBondContact O-CE2 3.46Å; F124-R126 PolarHBondContact O-N 3.02Å; F124-A129 HydrophobicContact CD1-CB 3.96Å; F124-Y130 AromaticContact CD2-CD2 3.91Å; F124-Y130 HydrophobicContact CD2-CD2 3.91Å; F124-H133 HydrophobicContact CE1-CB 3.88Å; F124-H133 HydrophobicContact CE2-CB 4.08Å; F124-H133 AromaticContact CE2-CD2 3.15Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.16Å; F124-H133 AromaticContact CE2-CG 3.68Å; F124-H133 AromaticContact CE2-NE2 3.78Å; F124-H133 HydrophobicContact CZ-CB 3.52Å; F124-H133 AromaticContact CZ-CD2 3.26Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.05Å; F124-H133 AromaticContact CZ-CG 3.25Å; F124-H133 AromaticContact CZ-ND1 3.92Å; F124-H133 AromaticContact CZ-NE2 3.88Å
125L81.1Confident79.6Confident135 Ų13572.1 Ų72.171%0.70736%0.359SS*.SBendtrans-75-2.5177.8-71.3165.4000114.6
126R80.6Confident79.3Confident190 Ų19077.3 Ų77.372%0.71739%0.388SS*.SBendtrans-145.8126.6-176.8-66.6-175.3-179.3164.53110.7F124 T128 A129 Y130F124-R126 PolarHBondContact O-N 3.02Å; R126-T128 PolarHBondContact O-N 3.31Å; R126-T128 VanDerWaalsContact O-N 3.1Å; R126-A129 HydrophobicContact CB-CB 4.48Å; R126-A129 WeakPolarHBondContact O-CB 2.92Å; R126-A129 PolarHBondContact O-N 3.33Å; R126-Y130 PolarHBondContact O-N 3.38Å; R126-Y130 VanDerWaalsContact O-N 3.11Å
127F83.5Confident79Confident75 Ų7576.4 Ų76.433%0.32938%0.382SS..Hα-helixtrans-51.7-34.9176-175.9-112.7000113.6Y115 A129 Y130 K131Y115-F127 AromaticContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CD1-CD2 3.89Å; Y115-F127 HydrophobicContact CE1-CB 4.1Å; Y115-F127 AromaticContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CD2 3.49Å; Y115-F127 VanDerWaalsContact CE1-CD2 3.49Å; Y115-F127 HydrophobicContact CE1-CE2 4.37Å; Y115-F127 HydrophobicContact CE1-CG 4.22Å; Y115-F127 HydrophobicContact CE2-CB 3.99Å; F127-A129 VanDerWaalsContact C-N 3.3Å; F127-A129 PolarHBondContact O-N 3.49Å; F127-Y130 AromaticContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CE2-CD1 4.09Å; F127-Y130 PolarHBondContact O-N 2.93Å; F127-K131 HydrophobicContact CE1-CD 4.2Å; F127-K131 HydrophobicContact CZ-CD 4.35Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.37Å; F127-K131 PolarHBondContact O-N 3.08Å
128T77.9Confident78.4Confident107 Ų10779.5 Ų79.566%0.65640%0.396SS*.Hα-helixtrans-65.7-31.9177.157.10000113.5R126 S132R126-T128 PolarHBondContact O-N 3.31Å; R126-T128 VanDerWaalsContact O-N 3.1Å; T128-S132 PolarHBondContact O-N 3.27Å; T128-S132 PolarHBondContact O-OG 3.47Å
129A82.7Confident77.6Confident38 Ų3879.4 Ų79.431%0.31439%0.391SS..Hα-helixtrans-78.4-43177.200000110.7F124 R126 F127 S132 H133F124-A129 HydrophobicContact CD1-CB 3.96Å; R126-A129 HydrophobicContact CB-CB 4.48Å; R126-A129 WeakPolarHBondContact O-CB 2.92Å; R126-A129 PolarHBondContact O-N 3.33Å; F127-A129 VanDerWaalsContact C-N 3.3Å; F127-A129 PolarHBondContact O-N 3.49Å; A129-S132 WeakPolarHBondContact CA-OG 3.41Å; A129-S132 PolarHBondContact O-N 3.04Å; A129-S132 PolarHBondContact O-OG 3.32Å; A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3.32Å
130Y87.4Confident76.5Confident17 Ų1780.5 Ų80.57%0.06740%0.397CS..Hα-helixtrans-54.7-50.3170.4178.9-117.1000111.7Y115 N116 C117 F124 R126 F127 S132 H133 L134Y115-Y130 AromaticContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CD1 3.83Å; Y115-Y130 HydrophobicContact CD1-CE1 4.18Å; Y115-Y130 HydrophobicContact CD1-CG 4.29Å; Y115-Y130 HydrophobicContact CG-CD1 4.15Å; Y115-Y130 HydrophobicContact CG-CG 4.12Å; N116-Y130 WeakPolarHBondContact O-CE2 3.5Å; C117-Y130 HydrophobicContact CB-CE2 4.18Å; F124-Y130 AromaticContact CD2-CD2 3.91Å; F124-Y130 HydrophobicContact CD2-CD2 3.91Å; R126-Y130 PolarHBondContact O-N 3.38Å; R126-Y130 VanDerWaalsContact O-N 3.11Å; F127-Y130 AromaticContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CD2-CD1 3.96Å; F127-Y130 HydrophobicContact CE2-CD1 4.09Å; F127-Y130 PolarHBondContact O-N 2.93Å; Y130-S132 PolarHBondContact O-N 3.5Å; Y130-H133 CarbonylContact O-C 3.54Å; Y130-H133 WeakPolarHBondContact O-CA 3.43Å; Y130-H133 WeakPolarHBondContact O-CB 3.3Å; Y130-H133 PolarHBondContact O-N 2.73Å; Y130-L134 HydrophobicContact CD1-CD1 4Å; Y130-L134 HydrophobicContact CD2-CG 4.42Å; Y130-L134 HydrophobicContact CE1-CD1 3.45Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.45Å; Y130-L134 HydrophobicContact CE1-CG 4.23Å; Y130-L134 HydrophobicContact CE2-CD1 4.13Å; Y130-L134 HydrophobicContact CE2-CD2 4.25Å; Y130-L134 HydrophobicContact CE2-CG 4.05Å; Y130-L134 PolarHBondContact O-N 3.21Å
131K80.9Confident74.9Confident61 Ų6186.3 Ų86.327%0.26542%0.42SS..Hα-helixtrans-59.4-42.8176.1179.9142.4-168.2148.60112.7L104 F127 H133 L135L104-K131 HydrophobicContact CD2-CB 4.29Å; L104-K131 HydrophobicContact CD2-CD 4Å; L104-K131 HydrophobicContact CD2-CG 3.65Å; L104-K131 PolarHBondContact O-NZ 3.33Å; F127-K131 HydrophobicContact CE1-CD 4.2Å; F127-K131 HydrophobicContact CZ-CD 4.35Å; F127-K131 VanDerWaalsContact O-CB 3.23Å; F127-K131 WeakPolarHBondContact O-CB 3.37Å; F127-K131 PolarHBondContact O-N 3.08Å; K131-H133 PolarHBondContact O-N 3.3Å; K131-L135 VanDerWaalsContact O-CG 3.3Å; K131-L135 WeakPolarHBondContact O-CG 3.46Å; K131-L135 PolarHBondContact O-N 3.02Å
132S73Confident74.3Confident70 Ų7085 Ų8549%0.4941%0.413SS..Hα-helixtrans-69.1-19.3174.855.70000114T128 A129 Y130T128-S132 PolarHBondContact O-N 3.27Å; T128-S132 PolarHBondContact O-OG 3.47Å; A129-S132 WeakPolarHBondContact CA-OG 3.41Å; A129-S132 PolarHBondContact O-N 3.04Å; A129-S132 PolarHBondContact O-OG 3.32Å; Y130-S132 PolarHBondContact O-N 3.5Å
133H82.7Confident73.7Confident20 Ų2081.5 Ų81.59%0.09340%0.398CS..Hα-helixtrans-88.9-41.2177.316761.3000112.3C117 C120 F124 A129 Y130 K131 L135 L136 H137C117-H133 VanDerWaalsContact CB-NE2 3.34Å; C117-H133 WeakPolarHBondContact CB-NE2 3.35Å; C117-H133 PolarHBondContact SG-NE2 3.38Å; C117-H133 VanDerWaalsContact SG-NE2 3.36Å; C120-H133 PolarHBondContact SG-CE1 2.62Å; C120-H133 PolarHBondContact SG-NE2 3.03Å; F124-H133 HydrophobicContact CE1-CB 3.88Å; F124-H133 HydrophobicContact CE2-CB 4.08Å; F124-H133 AromaticContact CE2-CD2 3.15Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.16Å; F124-H133 AromaticContact CE2-CG 3.68Å; F124-H133 AromaticContact CE2-NE2 3.78Å; F124-H133 HydrophobicContact CZ-CB 3.52Å; F124-H133 AromaticContact CZ-CD2 3.26Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.05Å; F124-H133 AromaticContact CZ-CG 3.25Å; F124-H133 AromaticContact CZ-ND1 3.92Å; F124-H133 AromaticContact CZ-NE2 3.88Å; A129-H133 WeakPolarHBondContact O-CB 3.47Å; A129-H133 PolarHBondContact O-N 3.32Å; Y130-H133 CarbonylContact O-C 3.54Å; Y130-H133 WeakPolarHBondContact O-CA 3.43Å; Y130-H133 WeakPolarHBondContact O-CB 3.3Å; Y130-H133 PolarHBondContact O-N 2.73Å; K131-H133 PolarHBondContact O-N 3.3Å; H133-L135 PolarHBondContact O-N 2.93Å; H133-L136 WeakPolarHBondContact O-CA 3.43Å; H133-L136 VanDerWaalsContact O-CB 3.28Å; H133-L136 WeakPolarHBondContact O-CB 2.88Å; H133-L136 PolarHBondContact O-N 3.24Å; H133-H137 AromaticContact CD2-NE2 3.76Å; H133-H137 AromaticContact CE1-CD2 3.66Å; H133-H137 AromaticContact CE1-NE2 2.73Å; H133-H137 PolarHBondContact CE1-NE2 3.03Å; H133-H137 AromaticContact ND1-NE2 3.9Å; H133-H137 AromaticContact NE2-CD2 3.7Å; H133-H137 AromaticContact NE2-NE2 2.59Å; H133-H137 PolarHBondContact NE2-NE2 3.13Å
134L81.6Confident73.3Confident0 Ų074.9 Ų74.90%038%0.379CS..Hα-helixtrans-56.9-37.4170.8-77179.4000111.9V100 L104 Y130 L136 H137V100-L134 HydrophobicContact CG1-CB 4.26Å; V100-L134 WeakPolarHBondContact CG1-O 3.1Å; V100-L134 HydrophobicContact CG2-CD2 4.27Å; L104-L134 HydrophobicContact CD1-CB 4.33Å; L104-L134 HydrophobicContact CD2-CB 3.75Å; L104-L134 HydrophobicContact CD2-CD1 3.89Å; L104-L134 HydrophobicContact CG-CB 3.94Å; L104-L134 HydrophobicContact CG-CD1 3.96Å; Y130-L134 HydrophobicContact CD1-CD1 4Å; Y130-L134 HydrophobicContact CD2-CG 4.42Å; Y130-L134 HydrophobicContact CE1-CD1 3.45Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.45Å; Y130-L134 HydrophobicContact CE1-CG 4.23Å; Y130-L134 HydrophobicContact CE2-CD1 4.13Å; Y130-L134 HydrophobicContact CE2-CD2 4.25Å; Y130-L134 HydrophobicContact CE2-CG 4.05Å; Y130-L134 PolarHBondContact O-N 3.21Å; L134-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact O-N 3.12Å; L134-H137 PolarHBondContact O-N 3.38Å
135L76Confident73Confident80 Ų8072.9 Ų72.942%0.41937%0.37SS..THydrogen-bonded Turntrans-64.7-7.9172.9-71170.9000114.5L104 K131 H133L104-L135 HydrophobicContact CD1-CD2 3.72Å; L104-L135 HydrophobicContact CD1-CG 4.18Å; L104-L135 HydrophobicContact CD2-CG 4.37Å; K131-L135 VanDerWaalsContact O-CG 3.3Å; K131-L135 WeakPolarHBondContact O-CG 3.46Å; K131-L135 PolarHBondContact O-N 3.02Å; H133-L135 PolarHBondContact O-N 2.93Å
136L77Confident72.5Confident135 Ų13569.8 Ų69.871%0.70736%0.36SS*.THydrogen-bonded Turntrans-92.3-14.4171.3-57.9172.2000112.6H133 L134H133-L136 WeakPolarHBondContact O-CA 3.43Å; H133-L136 VanDerWaalsContact O-CB 3.28Å; H133-L136 WeakPolarHBondContact O-CB 2.88Å; H133-L136 PolarHBondContact O-N 3.24Å; L134-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact O-N 3.12Å
137H73Confident72.2Confident47 Ų4763.9 Ų63.922%0.21835%0.345CS..SBendtrans-94.1-0.5177.9-76.3-73.4000113.2N97 V100 C117 L119 C120 H133 L134 I139N97-H137 PolarHBondContact OD1-O 3.19Å; V100-H137 HydrophobicContact CG2-CB 3.78Å; C117-H137 PolarHBondContact SG-NE2 3.34Å; L119-H137 HydrophobicContact CD1-CB 3.67Å; L119-H137 PolarHBondContact O-CE1 3.22Å; L119-H137 VanDerWaalsContact O-CE1 3.31Å; C120-H137 VanDerWaalsContact CB-CE1 3.46Å; C120-H137 WeakPolarHBondContact CB-CE1 3.4Å; C120-H137 PolarHBondContact SG-NE2 3.02Å; H133-H137 AromaticContact CD2-NE2 3.76Å; H133-H137 AromaticContact CE1-CD2 3.66Å; H133-H137 AromaticContact CE1-NE2 2.73Å; H133-H137 PolarHBondContact CE1-NE2 3.03Å; H133-H137 AromaticContact ND1-NE2 3.9Å; H133-H137 AromaticContact NE2-CD2 3.7Å; H133-H137 AromaticContact NE2-NE2 2.59Å; H133-H137 PolarHBondContact NE2-NE2 3.13Å; L134-H137 PolarHBondContact O-N 3.38Å; H137-I139 PolarHBondContact O-N 3.43Å
138Q64.5Low72.3Confident65 Ų6562.8 Ų62.830%0.30435%0.346SS..  trans-75.4106.8171.5-63.3-165.9-79.600109.5N97 V100N97-Q138 WeakPolarHBondContact OD1-CA 3.27Å; V100-Q138 HydrophobicContact CB-CG 4.48Å; V100-Q138 HydrophobicContact CG1-CG 3.5Å
139I55.8Low72.4Confident54 Ų5464.2 Ų64.228%0.27735%0.345SS..  trans-121.780.7-177.2-56.1169.3000108N97 H137 E141 F143N97-I139 VanDerWaalsContact ND2-C 3.33Å; N97-I139 PolarHBondContact ND2-O 2.83Å; N97-I139 PolarHBondContact OD1-N 2.83Å; H137-I139 PolarHBondContact O-N 3.43Å; I139-E141 VanDerWaalsContact C-N 3.29Å; I139-E141 PolarHBondContact O-N 3.13Å; I139-F143 HydrophobicContact CD1-CZ 4.32Å; I139-F143 HydrophobicContact CG2-CE2 3.87Å; I139-F143 HydrophobicContact CG2-CZ 3.63Å
140D46.1Very low72.2Confident77 Ų7767.6 Ų67.641%0.41235%0.354SS..  trans-79.61.8-172-81.8-50.8000114.8N93N93-D140 VanDerWaalsContact ND2-C 3.32Å; N93-D140 PolarHBondContact ND2-O 2.88Å
141E47.8Very low71.8Confident164 Ų16470.7 Ų70.777%0.76638%0.378SS*.SBendtrans-143.7141.2-177.1-65.4-179.8177.500112.8I139I139-E141 VanDerWaalsContact C-N 3.29Å; I139-E141 PolarHBondContact O-N 3.13Å
142N62.2Low71.7Confident92 Ų9269.2 Ų69.249%0.49237%0.372SS..  trans-61.8151.1177.7-68.5-3.4000112V144N142-V144 PolarHBondContact O-N 3.02Å
143F67.7Low71.6Confident50 Ų5073.8 Ų73.822%0.21939%0.386CS..EExtended strand (participates in β ladder)trans-80.390.5-173.8-68.1-84.8000111.7I139 F152 V155 Y158I139-F143 HydrophobicContact CD1-CZ 4.32Å; I139-F143 HydrophobicContact CG2-CE2 3.87Å; I139-F143 HydrophobicContact CG2-CZ 3.63Å; F143-F152 HydrophobicContact CB-CB 4.33Å; F143-F152 PolarHBondContact N-O 3.06Å; F143-F152 VanDerWaalsContact N-O 3.12Å; F143-F152 WeakPolarHBondContact O-CD2 3.48Å; F143-F152 PolarHBondContact O-N 3.14Å; F143-V155 HydrophobicContact CD2-CG2 4.31Å; F143-V155 HydrophobicContact CE1-CG2 4.02Å; F143-V155 HydrophobicContact CE2-CG2 3.52Å; F143-V155 HydrophobicContact CZ-CG2 3.36Å; F143-Y158 HydrophobicContact CB-CD1 4.35Å; F143-Y158 HydrophobicContact CB-CD2 3.53Å; F143-Y158 HydrophobicContact CB-CE2 4.16Å; F143-Y158 HydrophobicContact CB-CG 3.6Å; F143-Y158 HydrophobicContact CD1-CD1 4.19Å; F143-Y158 HydrophobicContact CD1-CG 4.27Å; F143-Y158 HydrophobicContact CG-CG 4.21Å; F143-Y158 WeakPolarHBondContact O-CD2 3.44Å
144V71Confident71.3Confident54 Ų5474.7 Ų74.733%0.32739%0.394SS..EExtended strand (participates in β ladder)trans-84.1119.9176.3-175.30000111.3N142 S146 Q149 Q150N142-V144 PolarHBondContact O-N 3.02Å; V144-S146 PolarHBondContact O-N 3.31Å; V144-Q149 HydrophobicContact CG1-CB 4.49Å; V144-Q149 WeakPolarHBondContact CG1-O 3.37Å; V144-Q150 WeakPolarHBondContact CA-O 3.38Å
145C79.9Confident71Confident0 Ų077.5 Ų77.50%041%0.411CS..  trans-62116.4174.4179.40000110.2V147 Q149 Q150 F152 Y158 H161C145-V147 PolarHBondContact O-N 2.83Å; C145-Q149 WeakPolarHBondContact O-CA 3.5Å; C145-Q149 PolarHBondContact O-N 3.46Å; C145-Q150 PolarHBondContact N-O 3.32Å; C145-F152 HydrophobicContact CB-CD2 4.48Å; C145-F152 HydrophobicContact CB-CE2 3.88Å; C145-Y158 HydrophobicContact CB-CE2 4.4Å; C145-H161 VanDerWaalsContact SG-CD2 3.5Å; C145-H161 PolarHBondContact SG-NE2 2.83Å
146S70.8Confident71.1Confident69 Ų6977.9 Ų77.948%0.48342%0.417SS..THydrogen-bonded Turntrans-69.7-3.1-178.753.80000114.8V144V144-S146 PolarHBondContact O-N 3.31Å
147V75Confident71.4Confident66 Ų6675.7 Ų75.740%0.441%0.406SS..THydrogen-bonded Turntrans-97.8-48.9-178.2-173.90000110.8C145 C165 T166 I169C145-V147 PolarHBondContact O-N 2.83Å; V147-C165 VanDerWaalsContact CG1-SG 3.56Å; V147-T166 HydrophobicContact CG2-CG2 4.47Å; V147-I169 HydrophobicContact CG1-CD1 3.99Å
148C85.7Confident72Confident52 Ų5275.4 Ų75.435%0.35140%0.403SS..THydrogen-bonded Turntrans-112.2-3-179.370.10000115Q150 H161C148-Q150 PolarHBondContact O-N 3.06Å; C148-Q150 VanDerWaalsContact SG-CB 3.59Å; C148-Q150 PolarHBondContact SG-N 3.01Å; C148-Q150 VanDerWaalsContact SG-N 3.36Å; C148-H161 PolarHBondContact SG-CE1 2.75Å; C148-H161 PolarHBondContact SG-NE2 3.28Å
149Q79.5Confident72.9Confident137 Ų13777.3 Ų77.364%0.6441%0.412SS*.  trans62.89.1-174.3-51.7-66.4-600116.9V144 C145V144-Q149 HydrophobicContact CG1-CB 4.49Å; V144-Q149 WeakPolarHBondContact CG1-O 3.37Å; C145-Q149 WeakPolarHBondContact O-CA 3.5Å; C145-Q149 PolarHBondContact O-N 3.46Å
150Q79.7Confident74.2Confident109 Ų10982.3 Ų82.351%0.50943%0.432SS..  trans-64.1136.1170.4-69.6176.6-11.100111.2V144 C145 C148 F152 H161V144-Q150 WeakPolarHBondContact CA-O 3.38Å; C145-Q150 PolarHBondContact N-O 3.32Å; C148-Q150 PolarHBondContact O-N 3.06Å; C148-Q150 VanDerWaalsContact SG-CB 3.59Å; C148-Q150 PolarHBondContact SG-N 3.01Å; C148-Q150 VanDerWaalsContact SG-N 3.36Å; Q150-F152 HydrophobicContact CB-CE2 3.6Å; Q150-F152 HydrophobicContact CB-CZ 3.6Å; Q150-F152 WeakPolarHBondContact O-CD2 3.29Å; Q150-F152 VanDerWaalsContact O-CE2 3.22Å; Q150-F152 WeakPolarHBondContact O-CE2 3.13Å; Q150-H161 PolarHBondContact OE1-CE1 3Å; Q150-H161 PolarHBondContact OE1-ND1 2.78Å
151S77.6Confident76.2Confident82 Ų8280.2 Ų80.257%0.57342%0.419SS*.EExtended strand (participates in β ladder)trans-92.9133.9176.2570000111.7
152F80.2Confident77.9Confident31 Ų3175 Ų7514%0.13640%0.396CS..EExtended strand (participates in β ladder)trans-118.7134179.5-61.2-84.6000111F143 C145 Q150 S154 L157 Y158 H161F143-F152 HydrophobicContact CB-CB 4.33Å; F143-F152 PolarHBondContact N-O 3.06Å; F143-F152 VanDerWaalsContact N-O 3.12Å; F143-F152 WeakPolarHBondContact O-CD2 3.48Å; F143-F152 PolarHBondContact O-N 3.14Å; C145-F152 HydrophobicContact CB-CD2 4.48Å; C145-F152 HydrophobicContact CB-CE2 3.88Å; Q150-F152 HydrophobicContact CB-CE2 3.6Å; Q150-F152 HydrophobicContact CB-CZ 3.6Å; Q150-F152 WeakPolarHBondContact O-CD2 3.29Å; Q150-F152 VanDerWaalsContact O-CE2 3.22Å; Q150-F152 WeakPolarHBondContact O-CE2 3.13Å; F152-S154 VanDerWaalsContact C-N 3.32Å; F152-L157 HydrophobicContact CB-CB 4.37Å; F152-L157 HydrophobicContact CD1-CB 3.92Å; F152-Y158 AromaticContact CD2-CD2 3.98Å; F152-Y158 HydrophobicContact CD2-CD2 3.98Å; F152-H161 HydrophobicContact CD1-CB 4.33Å; F152-H161 HydrophobicContact CE1-CB 3.65Å; F152-H161 AromaticContact CE1-CG 3.77Å; F152-H161 HydrophobicContact CE2-CB 3.93Å; F152-H161 AromaticContact CE2-CD2 3.37Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.37Å; F152-H161 AromaticContact CE2-CG 3.5Å; F152-H161 VanDerWaalsContact CE2-CG 3.5Å; F152-H161 AromaticContact CE2-NE2 3.95Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.44Å; F152-H161 VanDerWaalsContact CZ-CD2 3.44Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.12Å; F152-H161 AromaticContact CZ-CE1 3.84Å; F152-H161 AromaticContact CZ-CG 3.06Å; F152-H161 AromaticContact CZ-ND1 3.35Å; F152-H161 WeakPolarHBondContact CZ-ND1 3.44Å; F152-H161 AromaticContact CZ-NE2 3.93Å
153E70.9Confident78.7Confident165 Ų16576.9 Ų76.977%0.77140%0.402SS*.SBendtrans-72.1-26.3-178.8-60-179.3161.500112.6
154S75.1Confident79.2Confident40 Ų4077 Ų7728%0.2841%0.412SS..SBendtrans-129.1152.1-179.177.10000113F152 T156 L157 Y158F152-S154 VanDerWaalsContact C-N 3.32Å; S154-T156 PolarHBondContact O-N 3.24Å; S154-T156 PolarHBondContact OG-OG1 3.42Å; S154-L157 PolarHBondContact O-N 2.89Å; S154-L157 WeakPolarHBondContact OG-CG 3.48Å; S154-L157 PolarHBondContact OG-N 2.84Å; S154-Y158 WeakPolarHBondContact O-CB 3.42Å; S154-Y158 PolarHBondContact O-N 2.77Å
155V75.6Confident79.6Confident58 Ų5874.9 Ų74.935%0.35240%0.399SS..Hα-helixtrans-55.9-39.2174179.90000111.3F143 Y158 E159F143-V155 HydrophobicContact CD2-CG2 4.31Å; F143-V155 HydrophobicContact CE1-CG2 4.02Å; F143-V155 HydrophobicContact CE2-CG2 3.52Å; F143-V155 HydrophobicContact CZ-CG2 3.36Å; V155-Y158 WeakPolarHBondContact O-CB 3.39Å; V155-Y158 PolarHBondContact O-N 3.48Å; V155-E159 HydrophobicContact CG1-CG 4.13Å; V155-E159 WeakPolarHBondContact O-CB 3.35Å; V155-E159 WeakPolarHBondContact O-CG 3.26Å; V155-E159 PolarHBondContact O-N 3.43Å
156T78.8Confident79.4Confident89 Ų8978.5 Ų78.555%0.54642%0.422SS..Hα-helixtrans-72.7-37.1-173.757.40000112.4S154 K160S154-T156 PolarHBondContact O-N 3.24Å; S154-T156 PolarHBondContact OG-OG1 3.42Å; T156-K160 WeakPolarHBondContact O-CB 3.47Å; T156-K160 WeakPolarHBondContact O-CG 3.36Å; T156-K160 PolarHBondContact O-N 3.38Å
157L82.1Confident79.1Confident88 Ų8883 Ų8346%0.46143%0.432SS..Hα-helixtrans-68.7-42.2171.6-68.3174.6000110.8F152 S154 E159 K160 H161F152-L157 HydrophobicContact CB-CB 4.37Å; F152-L157 HydrophobicContact CD1-CB 3.92Å; S154-L157 PolarHBondContact O-N 2.89Å; S154-L157 WeakPolarHBondContact OG-CG 3.48Å; S154-L157 PolarHBondContact OG-N 2.84Å; L157-E159 PolarHBondContact O-N 2.6Å; L157-K160 PolarHBondContact O-N 3.13Å; L157-H161 WeakPolarHBondContact O-CB 3.38Å; L157-H161 PolarHBondContact O-N 3.29Å
158Y85.8Confident78Confident42 Ų4285.1 Ų85.117%0.16545%0.446CS..Hα-helixtrans-58.5-45.5173.1176.8-102.5000112.7F143 C145 F152 S154 V155 L162F143-Y158 HydrophobicContact CB-CD1 4.35Å; F143-Y158 HydrophobicContact CB-CD2 3.53Å; F143-Y158 HydrophobicContact CB-CE2 4.16Å; F143-Y158 HydrophobicContact CB-CG 3.6Å; F143-Y158 HydrophobicContact CD1-CD1 4.19Å; F143-Y158 HydrophobicContact CD1-CG 4.27Å; F143-Y158 HydrophobicContact CG-CG 4.21Å; F143-Y158 WeakPolarHBondContact O-CD2 3.44Å; C145-Y158 HydrophobicContact CB-CE2 4.4Å; F152-Y158 AromaticContact CD2-CD2 3.98Å; F152-Y158 HydrophobicContact CD2-CD2 3.98Å; S154-Y158 WeakPolarHBondContact O-CB 3.42Å; S154-Y158 PolarHBondContact O-N 2.77Å; V155-Y158 WeakPolarHBondContact O-CB 3.39Å; V155-Y158 PolarHBondContact O-N 3.48Å; Y158-L162 HydrophobicContact CE1-CD1 3.7Å; Y158-L162 HydrophobicContact CE2-CD1 4.13Å; Y158-L162 VanDerWaalsContact CZ-CD1 3.46Å; Y158-L162 WeakPolarHBondContact O-CB 3.2Å; Y158-L162 PolarHBondContact O-N 3.45Å; Y158-L162 WeakPolarHBondContact OH-CD1 3.47Å
159E83.4Confident76.2Confident105 Ų10587.7 Ų87.749%0.49146%0.455SS..Hα-helixtrans-67.9-45.4-179.6-77.4-178.916300111.6V155 L157 H161 L162 H163V155-E159 HydrophobicContact CG1-CG 4.13Å; V155-E159 WeakPolarHBondContact O-CB 3.35Å; V155-E159 WeakPolarHBondContact O-CG 3.26Å; V155-E159 PolarHBondContact O-N 3.43Å; L157-E159 PolarHBondContact O-N 2.6Å; E159-H161 PolarHBondContact O-N 3.31Å; E159-L162 PolarHBondContact O-N 3.29Å; E159-H163 WeakPolarHBondContact O-CB 3.41Å; E159-H163 PolarHBondContact O-N 3.13Å
160K84Confident74.4Confident159 Ų15987.5 Ų87.569%0.69146%0.463SS*.Hα-helixtrans-57.9-49.2173.5-77180177.1-174.10111.4T156 L157 H163 A164T156-K160 WeakPolarHBondContact O-CB 3.47Å; T156-K160 WeakPolarHBondContact O-CG 3.36Å; T156-K160 PolarHBondContact O-N 3.38Å; L157-K160 PolarHBondContact O-N 3.13Å; K160-H163 PolarHBondContact O-N 3.46Å; K160-A164 PolarHBondContact O-N 3.31Å
161H88.5Confident72.4Confident33 Ų3389 Ų8915%0.15347%0.473CS..Hα-helixtrans-63.6-45.2178.3171.884.7000111.8C145 C148 Q150 F152 L157 E159 H163 A164 C165C145-H161 VanDerWaalsContact SG-CD2 3.5Å; C145-H161 PolarHBondContact SG-NE2 2.83Å; C148-H161 PolarHBondContact SG-CE1 2.75Å; C148-H161 PolarHBondContact SG-NE2 3.28Å; Q150-H161 PolarHBondContact OE1-CE1 3Å; Q150-H161 PolarHBondContact OE1-ND1 2.78Å; F152-H161 HydrophobicContact CD1-CB 4.33Å; F152-H161 HydrophobicContact CE1-CB 3.65Å; F152-H161 AromaticContact CE1-CG 3.77Å; F152-H161 HydrophobicContact CE2-CB 3.93Å; F152-H161 AromaticContact CE2-CD2 3.37Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.37Å; F152-H161 AromaticContact CE2-CG 3.5Å; F152-H161 VanDerWaalsContact CE2-CG 3.5Å; F152-H161 AromaticContact CE2-NE2 3.95Å; F152-H161 HydrophobicContact CZ-CB 3.45Å; F152-H161 VanDerWaalsContact CZ-CB 3.45Å; F152-H161 AromaticContact CZ-CD2 3.44Å; F152-H161 VanDerWaalsContact CZ-CD2 3.44Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.12Å; F152-H161 AromaticContact CZ-CE1 3.84Å; F152-H161 AromaticContact CZ-CG 3.06Å; F152-H161 AromaticContact CZ-ND1 3.35Å; F152-H161 WeakPolarHBondContact CZ-ND1 3.44Å; F152-H161 AromaticContact CZ-NE2 3.93Å; L157-H161 WeakPolarHBondContact O-CB 3.38Å; L157-H161 PolarHBondContact O-N 3.29Å; E159-H161 PolarHBondContact O-N 3.31Å; H161-H163 PolarHBondContact O-N 3.08Å; H161-A164 CarbonylContact O-C 3.28Å; H161-A164 PolarHBondContact O-N 2.99Å; H161-A164 VanDerWaalsContact O-N 3.08Å; H161-C165 WeakPolarHBondContact NE2-CB 3.45Å; H161-C165 WeakPolarHBondContact O-CB 3.13Å; H161-C165 PolarHBondContact O-N 2.98Å
162L82.4Confident70.3Confident53 Ų5392.4 Ų92.428%0.27749%0.485SS..Hα-helixtrans-64.1-33.5179.8-167.1148.2000110.5Y158 E159 T166Y158-L162 HydrophobicContact CE1-CD1 3.7Å; Y158-L162 HydrophobicContact CE2-CD1 4.13Å; Y158-L162 VanDerWaalsContact CZ-CD1 3.46Å; Y158-L162 WeakPolarHBondContact O-CB 3.2Å; Y158-L162 PolarHBondContact O-N 3.45Å; Y158-L162 WeakPolarHBondContact OH-CD1 3.47Å; E159-L162 PolarHBondContact O-N 3.29Å; L162-T166 HydrophobicContact CD2-CG2 4.05Å; L162-T166 HydrophobicContact CG-CG2 4.47Å; L162-T166 VanDerWaalsContact O-CB 3.32Å; L162-T166 WeakPolarHBondContact O-CB 3.32Å; L162-T166 VanDerWaalsContact O-CG2 3.22Å; L162-T166 WeakPolarHBondContact O-CG2 3.41Å; L162-T166 PolarHBondContact O-N 2.76Å; L162-T166 PolarHBondContact O-OG1 3.22Å
163H79.4Confident67.9Low132 Ų132100.3 Ų100.361%0.61152%0.519SS*.Hα-helixtrans-67.2-38.9171.5-126.5-21.9000113.4E159 K160 H161 T166 K167E159-H163 WeakPolarHBondContact O-CB 3.41Å; E159-H163 PolarHBondContact O-N 3.13Å; K160-H163 PolarHBondContact O-N 3.46Å; H161-H163 PolarHBondContact O-N 3.08Å; H163-T166 PolarHBondContact O-OG1 3.1Å; H163-K167 WeakPolarHBondContact O-CG 3.33Å; H163-K167 PolarHBondContact O-N 2.9Å
164A78.2Confident66.3Low52 Ų5297.9 Ų97.943%0.4352%0.517SS..Hα-helixtrans-70.3-49.4174.600000112.2K160 H161 T166 K167 T168K160-A164 PolarHBondContact O-N 3.31Å; H161-A164 CarbonylContact O-C 3.28Å; H161-A164 PolarHBondContact O-N 2.99Å; H161-A164 VanDerWaalsContact O-N 3.08Å; A164-T166 VanDerWaalsContact C-N 3.27Å; A164-T166 PolarHBondContact O-N 3.21Å; A164-K167 WeakPolarHBondContact O-CA 3.07Å; A164-K167 WeakPolarHBondContact O-CB 3.45Å; A164-K167 PolarHBondContact O-N 2.68Å; A164-T168 PolarHBondContact O-N 3.15Å; A164-T168 VanDerWaalsContact O-N 3.14Å; A164-T168 PolarHBondContact O-OG1 3.18Å
165C79.6Confident64.7Low10 Ų1099.9 Ų99.97%0.06853%0.529CS..Hα-helixtrans-69.2-20.5-176.8-1660000113.7V147 H161V147-C165 VanDerWaalsContact CG1-SG 3.56Å; H161-C165 WeakPolarHBondContact NE2-CB 3.45Å; H161-C165 WeakPolarHBondContact O-CB 3.13Å; H161-C165 PolarHBondContact O-N 2.98Å
166T74.6Confident63.6Low76 Ų76102.7 Ų102.747%0.46655%0.552SS.*THydrogen-bonded Turntrans-85.7-15.7168.151.10000113.4V147 L162 H163 A164V147-T166 HydrophobicContact CG2-CG2 4.47Å; L162-T166 HydrophobicContact CD2-CG2 4.05Å; L162-T166 HydrophobicContact CG-CG2 4.47Å; L162-T166 VanDerWaalsContact O-CB 3.32Å; L162-T166 WeakPolarHBondContact O-CB 3.32Å; L162-T166 VanDerWaalsContact O-CG2 3.22Å; L162-T166 WeakPolarHBondContact O-CG2 3.41Å; L162-T166 PolarHBondContact O-N 2.76Å; L162-T166 PolarHBondContact O-OG1 3.22Å; H163-T166 PolarHBondContact O-OG1 3.1Å; A164-T166 VanDerWaalsContact C-N 3.27Å; A164-T166 PolarHBondContact O-N 3.21Å
167K65.3Low63.5Low163 Ų163103.7 Ų103.771%0.70955%0.55SS**THydrogen-bonded Turntrans-84.8-32173.4-78.7-178.7173.6-168.80113.1H163 A164H163-K167 WeakPolarHBondContact O-CG 3.33Å; H163-K167 PolarHBondContact O-N 2.9Å; A164-K167 WeakPolarHBondContact O-CA 3.07Å; A164-K167 WeakPolarHBondContact O-CB 3.45Å; A164-K167 PolarHBondContact O-N 2.68Å
168T52.8Low63.4Low112 Ų112102.6 Ų102.669%0.68754%0.541SS*.SBendtrans-91.63.3-171.848.30000115.9A164A164-T168 PolarHBondContact O-N 3.15Å; A164-T168 VanDerWaalsContact O-N 3.14Å; A164-T168 PolarHBondContact O-OG1 3.18Å
169I46.7Very low63.2Low105 Ų105109 Ų10954%0.53857%0.565SS.*  trans-127.581.5178.4-50.9-177.9000111V147V147-I169 HydrophobicContact CG1-CD1 3.99Å
170V41.6Very low63.1Low133 Ų133104.1 Ų104.181%0.80654%0.541SS*.  trans-109.589.2150.7179.70000106.2
171I37.7Very low62.8Low142 Ų142104.1 Ų104.173%0.72854%0.537SS*.SBendtrans-171.1146.5156.7-97.6146.2000109.7K173I171-K173 PolarHBondContact O-N 3.28Å
172N32.9Very low62.1Low153 Ų153106.4 Ų106.482%0.81855%0.55SS*.  trans-63.2112.7-168.2-59-50.8000115.7
173K31Very low62.1Low197 Ų197106.4 Ų106.486%0.85755%0.553SS**  trans-161.6117.4134.2-110.1164.3-173.3173.40110.4I171I171-K173 PolarHBondContact O-N 3.28Å
174P36.9Very low61.9Low113 Ų113101.5 Ų101.573%0.73454%0.539SS*.  trans-75.2133.4-178.629.4-33000110.7S176P174-S176 PolarHBondContact O-N 3.22Å
175P41.4Very low61.9Low82 Ų82102.4 Ų102.453%0.53254%0.535SS..  trans-64.2129.4176.425.5-33.5000110.4Q177 Y178P175-Q177 PolarHBondContact O-N 3.3Å; P175-Y178 HydrophobicContact CG-CE1 4.27Å; P175-Y178 HydrophobicContact CG-CE2 4.48Å
176S53.3Low62Low117 Ų117106.5 Ų106.582%0.81856%0.556SS**SBendtrans-68.391.5-18040.70000110.8P174P174-S176 PolarHBondContact O-N 3.22Å
177Q76Confident62.6Low110 Ų110104.1 Ų104.151%0.51454%0.54SS..  trans83.9129.4174.8-43.3176.823.800116.1P175 L186P175-Q177 PolarHBondContact O-N 3.3Å; Q177-L186 HydrophobicContact CB-CB 4.19Å; Q177-L186 HydrophobicContact CB-CD2 4.47Å
178Y80.6Confident63.2Low66 Ų6699.9 Ų99.926%0.25953%0.531SS..EExtended strand (participates in β ladder)trans-97.7120.2-178.4-65.7-101000110.8P175 L187 I190P175-Y178 HydrophobicContact CG-CE1 4.27Å; P175-Y178 HydrophobicContact CG-CE2 4.48Å; Y178-L187 PolarHBondContact N-O 3.46Å; Y178-L187 PolarHBondContact O-N 3.42Å; Y178-I190 HydrophobicContact CD1-CB 4.44Å; Y178-I190 HydrophobicContact CD1-CG1 4.15Å; Y178-I190 HydrophobicContact CE1-CB 4.02Å; Y178-I190 HydrophobicContact CE1-CD1 3.89Å; Y178-I190 HydrophobicContact CE1-CG1 3.87Å; Y178-I190 HydrophobicContact CE2-CB 4.45Å
179R80.5Confident64.7Low177 Ų17796.7 Ų96.767%0.66851%0.513SS*.EExtended strand (participates in β ladder)trans-83.6127.7179.5-156.2179-177.9-151.64.5112.6R181 G184 M185 L186 I193R179-R181 PolarHBondContact O-N 2.86Å; R179-G184 WeakPolarHBondContact CG-O 3.27Å; R179-G184 PolarHBondContact NE-O 3.28Å; R179-G184 VanDerWaalsContact NE-O 3.17Å; R179-M185 CarbonylContact C-O 3.53Å; R179-M185 WeakPolarHBondContact CA-O 3.44Å; R179-L186 HydrophobicContact CB-CD2 3.82Å; R179-L186 HydrophobicContact CG-CD2 3.89Å; R179-I193 WeakPolarHBondContact O-CD1 3.47Å
180C81.5Confident66.3Low1 Ų195.8 Ų95.81%0.00751%0.509CS..PPolyproline II helixtrans-69.1117.7171.2179.70000110.9I182 C183 G184 M185 H196 H201C180-I182 PolarHBondContact O-N 2.8Å; C180-I182 VanDerWaalsContact O-N 3.13Å; C180-C183 PolarHBondContact O-N 3.36Å; C180-G184 WeakPolarHBondContact O-CA 3.19Å; C180-G184 PolarHBondContact O-N 3.03Å; C180-M185 PolarHBondContact N-O 3.48Å; C180-H196 VanDerWaalsContact CB-NE2 3.31Å; C180-H196 WeakPolarHBondContact CB-NE2 3.32Å; C180-H196 PolarHBondContact SG-CD2 3.49Å; C180-H196 PolarHBondContact SG-NE2 3.37Å; C180-H201 PolarHBondContact SG-CD2 3.07Å; C180-H201 PolarHBondContact SG-NE2 3.31Å; C180-H201 VanDerWaalsContact SG-NE2 3.42Å
181R78.7Confident68.4Low160 Ų16091.6 Ų91.660%0.60449%0.492SS*.THydrogen-bonded Turntrans-62-21.1-179.2-67.6-173.6173.2-172.9-6.2114.5R179 Y197R179-R181 PolarHBondContact O-N 2.86Å; R181-Y197 PolarHBondContact N-OH 3.5Å
182I73.8Confident70.8Confident81 Ų8189.9 Ų89.942%0.41548%0.479SS..THydrogen-bonded Turntrans-97.9-22-174.9-55.4169.7000113.1C180 Y197 H201 Y204C180-I182 PolarHBondContact O-N 2.8Å; C180-I182 VanDerWaalsContact O-N 3.13Å; I182-Y197 HydrophobicContact CD1-CD1 4.1Å; I182-Y197 HydrophobicContact CD1-CE1 3.66Å; I182-Y197 HydrophobicContact CG1-CE1 4.11Å; I182-H201 HydrophobicContact CD1-CB 3.66Å; I182-H201 VanDerWaalsContact CG2-CE1 3.46Å; I182-H201 WeakPolarHBondContact CG2-CE1 3.5Å; I182-H201 WeakPolarHBondContact CG2-ND1 3.4Å; I182-Y204 HydrophobicContact CD1-CD1 4.12Å; I182-Y204 HydrophobicContact CD1-CD2 3.64Å; I182-Y204 HydrophobicContact CD1-CE2 4.23Å; I182-Y204 HydrophobicContact CD1-CG 3.56Å; I182-Y204 HydrophobicContact CG1-CD2 4.45Å
183C81.9Confident73.4Confident52 Ų5283.4 Ų83.435%0.35145%0.445SS..THydrogen-bonded Turntrans-138.812.5-178.581.70000114.8C180 M185 H196C180-C183 PolarHBondContact O-N 3.36Å; C183-M185 PolarHBondContact O-N 3.36Å; C183-H196 PolarHBondContact SG-CE1 3.04Å; C183-H196 PolarHBondContact SG-NE2 2.76Å
184G74.2Confident75.8Confident30 Ų3079.6 Ų79.631%0.30943%0.428SS..  trans68.5-7.6174.600000117.1R179 C180 L186R179-G184 WeakPolarHBondContact CG-O 3.27Å; R179-G184 PolarHBondContact NE-O 3.28Å; R179-G184 VanDerWaalsContact NE-O 3.17Å; C180-G184 WeakPolarHBondContact O-CA 3.19Å; C180-G184 PolarHBondContact O-N 3.03Å; G184-L186 PolarHBondContact O-N 3.44Å
185M79.2Confident78.1Confident70 Ų7078.5 Ų78.535%0.34541%0.413SS..  trans-64.5128.2-176.3-81.3-168.27100112.8R179 C180 C183 L187 H196 R200R179-M185 CarbonylContact C-O 3.53Å; R179-M185 WeakPolarHBondContact CA-O 3.44Å; C180-M185 PolarHBondContact N-O 3.48Å; C183-M185 PolarHBondContact O-N 3.36Å; M185-L187 HydrophobicContact CE-CD2 4.39Å; M185-H196 PolarHBondContact SD-CE1 3.3Å; M185-R200 VanDerWaalsContact SD-CZ 3.58Å; M185-R200 PolarHBondContact SD-NH1 3.31Å
186L80.7Confident80.3Confident97 Ų9775.3 Ų75.351%0.50839%0.391SS..EExtended strand (participates in β ladder)trans-76.6140.1167.8-62.5169.2000110.7Q177 R179 G184Q177-L186 HydrophobicContact CB-CB 4.19Å; Q177-L186 HydrophobicContact CB-CD2 4.47Å; R179-L186 HydrophobicContact CB-CD2 3.82Å; R179-L186 HydrophobicContact CG-CD2 3.89Å; G184-L186 PolarHBondContact O-N 3.44Å
187L88Confident81.9Confident26 Ų2671.7 Ų71.714%0.13636%0.36CS..EExtended strand (participates in β ladder)trans-143128.6-174.7-66168.6000110.6Y178 M185 S189 K192 I193 H196Y178-L187 PolarHBondContact N-O 3.46Å; Y178-L187 PolarHBondContact O-N 3.42Å; M185-L187 HydrophobicContact CE-CD2 4.39Å; L187-S189 PolarHBondContact O-N 3.39Å; L187-K192 HydrophobicContact CB-CB 4.23Å; L187-I193 HydrophobicContact CD1-CB 4.08Å; L187-I193 HydrophobicContact CD1-CG1 4.02Å; L187-H196 HydrophobicContact CD1-CB 3.42Å; L187-H196 VanDerWaalsContact CD1-CB 3.42Å
188S78.5Confident82Confident74 Ų7475.8 Ų75.852%0.51737%0.371SS..SBendtrans-65.2-4.9-168.580.50000117K192S188-K192 WeakPolarHBondContact OG-CD 3.38Å; S188-K192 PolarHBondContact OG-NZ 2.86Å
189S83.1Confident81.8Confident44 Ų4481.4 Ų81.431%0.30839%0.391SS..SBendtrans-158.5159.1177.7770000114.1L187 G191 K192 I193L187-S189 PolarHBondContact O-N 3.39Å; S189-G191 PolarHBondContact O-N 3.19Å; S189-G191 PolarHBondContact OG-N 3.35Å; S189-K192 PolarHBondContact O-N 3.03Å; S189-K192 PolarHBondContact OG-N 2.95Å; S189-I193 PolarHBondContact O-N 3.5Å
190I80.1Confident81.6Confident87 Ų8780.4 Ų80.445%0.44639%0.387SS..Hα-helixtrans-65.7-24.2176.2-141.3168.6000112.4Y178 I193 K194Y178-I190 HydrophobicContact CD1-CB 4.44Å; Y178-I190 HydrophobicContact CD1-CG1 4.15Å; Y178-I190 HydrophobicContact CE1-CB 4.02Å; Y178-I190 HydrophobicContact CE1-CD1 3.89Å; Y178-I190 HydrophobicContact CE1-CG1 3.87Å; Y178-I190 HydrophobicContact CE2-CB 4.45Å; I190-I193 HydrophobicContact CG1-CG2 4Å; I190-I193 WeakPolarHBondContact O-CG2 3.26Å; I190-K194 WeakPolarHBondContact O-CB 3.47Å; I190-K194 VanDerWaalsContact O-CG 3.3Å; I190-K194 WeakPolarHBondContact O-CG 3.41Å; I190-K194 PolarHBondContact O-N 3.38Å
191G86.2Confident81.7Confident45 Ų4581.8 Ų81.846%0.46439%0.394SS..Hα-helixtrans-66.4-47169.100000111.6S189 K194 Q195S189-G191 PolarHBondContact O-N 3.19Å; S189-G191 PolarHBondContact OG-N 3.35Å; G191-K194 PolarHBondContact O-N 3.24Å; G191-Q195 WeakPolarHBondContact O-CB 3.25Å; G191-Q195 PolarHBondContact O-N 2.77Å
192K87.7Confident81Confident105 Ų10578.9 Ų78.946%0.45740%0.396SS..Hα-helixtrans-64.4-40.4175.5-72.3-179.3-174.7172.60111.8L187 S188 S189 Q195 H196L187-K192 HydrophobicContact CB-CB 4.23Å; S188-K192 WeakPolarHBondContact OG-CD 3.38Å; S188-K192 PolarHBondContact OG-NZ 2.86Å; S189-K192 PolarHBondContact O-N 3.03Å; S189-K192 PolarHBondContact OG-N 2.95Å; K192-Q195 PolarHBondContact O-N 2.94Å; K192-H196 VanDerWaalsContact O-CB 3.24Å; K192-H196 WeakPolarHBondContact O-CB 3.45Å; K192-H196 PolarHBondContact O-N 2.97Å
193I87.4Confident80.3Confident18 Ų1881.2 Ų81.29%0.09242%0.418CS..Hα-helixtrans-67.5-41.2176.1-155.8172.2000112.1R179 L187 S189 I190 Q195 H196 Y197R179-I193 WeakPolarHBondContact O-CD1 3.47Å; L187-I193 HydrophobicContact CD1-CB 4.08Å; L187-I193 HydrophobicContact CD1-CG1 4.02Å; S189-I193 PolarHBondContact O-N 3.5Å; I190-I193 HydrophobicContact CG1-CG2 4Å; I190-I193 WeakPolarHBondContact O-CG2 3.26Å; I193-Q195 VanDerWaalsContact C-N 3.33Å; I193-Q195 PolarHBondContact O-N 3.29Å; I193-H196 WeakPolarHBondContact O-CB 3.45Å; I193-H196 PolarHBondContact O-N 3Å; I193-Y197 HydrophobicContact CD1-CE2 3.93Å; I193-Y197 HydrophobicContact CG1-CD2 3.91Å; I193-Y197 HydrophobicContact CG1-CE2 3.66Å; I193-Y197 VanDerWaalsContact O-CD2 3.25Å; I193-Y197 WeakPolarHBondContact O-CD2 3.36Å; I193-Y197 PolarHBondContact O-N 3.37Å
194K83.2Confident78.6Confident117 Ų11784.1 Ų84.151%0.50942%0.422SS..Hα-helixtrans-61.3-40.4172.5-76173.7-179.6174.50111.3I190 G191 R198I190-K194 WeakPolarHBondContact O-CB 3.47Å; I190-K194 VanDerWaalsContact O-CG 3.3Å; I190-K194 WeakPolarHBondContact O-CG 3.41Å; I190-K194 PolarHBondContact O-N 3.38Å; G191-K194 PolarHBondContact O-N 3.24Å; K194-R198 VanDerWaalsContact O-CG 3.24Å; K194-R198 WeakPolarHBondContact O-CG 3.3Å; K194-R198 PolarHBondContact O-N 3.5Å; K194-R198 VanDerWaalsContact O-N 3.07Å
195Q83.7Confident77.1Confident90 Ų9091 Ų9142%0.42144%0.439SS..Hα-helixtrans-67.7-37.5175.1-164.9-172.558.600112G191 K192 I193 R198 R199G191-Q195 WeakPolarHBondContact O-CB 3.25Å; G191-Q195 PolarHBondContact O-N 2.77Å; K192-Q195 PolarHBondContact O-N 2.94Å; I193-Q195 VanDerWaalsContact C-N 3.33Å; I193-Q195 PolarHBondContact O-N 3.29Å; Q195-R198 PolarHBondContact O-N 3.41Å; Q195-R199 WeakPolarHBondContact O-CB 3.41Å; Q195-R199 WeakPolarHBondContact O-CG 3.42Å; Q195-R199 PolarHBondContact O-N 3.4Å
196H88.9Confident75Confident14 Ų1493 Ų937%0.06546%0.46CS..Hα-helixtrans-66.2-46.3176.2178.799.2000112C180 C183 M185 L187 K192 I193 R198 R199 R200 H201C180-H196 VanDerWaalsContact CB-NE2 3.31Å; C180-H196 WeakPolarHBondContact CB-NE2 3.32Å; C180-H196 PolarHBondContact SG-CD2 3.49Å; C180-H196 PolarHBondContact SG-NE2 3.37Å; C183-H196 PolarHBondContact SG-CE1 3.04Å; C183-H196 PolarHBondContact SG-NE2 2.76Å; M185-H196 PolarHBondContact SD-CE1 3.3Å; L187-H196 HydrophobicContact CD1-CB 3.42Å; L187-H196 VanDerWaalsContact CD1-CB 3.42Å; K192-H196 VanDerWaalsContact O-CB 3.24Å; K192-H196 WeakPolarHBondContact O-CB 3.45Å; K192-H196 PolarHBondContact O-N 2.97Å; I193-H196 WeakPolarHBondContact O-CB 3.45Å; I193-H196 PolarHBondContact O-N 3Å; H196-R198 VanDerWaalsContact C-N 3.34Å; H196-R198 PolarHBondContact O-N 3.37Å; H196-R199 PolarHBondContact O-N 3.23Å; H196-R199 VanDerWaalsContact O-N 3.14Å; H196-R200 WeakPolarHBondContact CE1-CD 3.26Å; H196-R200 PolarHBondContact CE1-NE 2.88Å; H196-R200 PolarHBondContact CE1-NH1 3.31Å; H196-R200 PolarHBondContact O-N 2.79Å; H196-H201 AromaticContact CD2-CD2 3.72Å; H196-H201 AromaticContact CD2-NE2 3.92Å; H196-H201 AromaticContact NE2-CD2 3.16Å; H196-H201 PolarHBondContact NE2-CD2 3.24Å; H196-H201 AromaticContact NE2-CE1 3.8Å; H196-H201 AromaticContact NE2-NE2 2.58Å; H196-H201 PolarHBondContact NE2-NE2 2.74Å
197Y86.7Confident72.7Confident42 Ų4296.4 Ų96.417%0.16547%0.472CS..Hα-helixtrans-57.8-46170.9-81-71.6000111R181 I182 I193 R199 H201 Y204R181-Y197 PolarHBondContact N-OH 3.5Å; I182-Y197 HydrophobicContact CD1-CD1 4.1Å; I182-Y197 HydrophobicContact CD1-CE1 3.66Å; I182-Y197 HydrophobicContact CG1-CE1 4.11Å; I193-Y197 HydrophobicContact CD1-CE2 3.93Å; I193-Y197 HydrophobicContact CG1-CD2 3.91Å; I193-Y197 HydrophobicContact CG1-CE2 3.66Å; I193-Y197 VanDerWaalsContact O-CD2 3.25Å; I193-Y197 WeakPolarHBondContact O-CD2 3.36Å; I193-Y197 PolarHBondContact O-N 3.37Å; Y197-R199 VanDerWaalsContact C-N 3.28Å; Y197-R199 PolarHBondContact O-N 3.11Å; Y197-H201 HydrophobicContact CD1-CB 3.96Å; Y197-H201 CarbonylContact O-C 3.43Å; Y197-H201 VanDerWaalsContact O-CA 3.31Å; Y197-H201 WeakPolarHBondContact O-CA 3.42Å; Y197-H201 PolarHBondContact O-N 2.82Å; Y197-Y204 AromaticContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CE1 4.42Å; Y197-Y204 HydrophobicContact CD1-CG 4.28Å; Y197-Y204 AromaticContact CE1-CD1 3.4Å; Y197-Y204 HydrophobicContact CE1-CD1 3.4Å; Y197-Y204 VanDerWaalsContact CE1-CD1 3.4Å; Y197-Y204 AromaticContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CG 4.13Å
198R78.4Confident69.9Low196 Ų19699.9 Ų99.974%0.7450%0.499SS*.Hα-helixtrans-60.8-32.5175.6-70.2175.2-153-171.17.3113.6K194 Q195 H196K194-R198 VanDerWaalsContact O-CG 3.24Å; K194-R198 WeakPolarHBondContact O-CG 3.3Å; K194-R198 PolarHBondContact O-N 3.5Å; K194-R198 VanDerWaalsContact O-N 3.07Å; Q195-R198 PolarHBondContact O-N 3.41Å; H196-R198 VanDerWaalsContact C-N 3.34Å; H196-R198 PolarHBondContact O-N 3.37Å
199R75.6Confident67.6Low184 Ų184102.9 Ų102.969%0.69451%0.508SS*.Hα-helixtrans-89.9-51.2-176.2-77.4179170.5172.3-4.6113.7Q195 H196 Y197Q195-R199 WeakPolarHBondContact O-CB 3.41Å; Q195-R199 WeakPolarHBondContact O-CG 3.42Å; Q195-R199 PolarHBondContact O-N 3.4Å; H196-R199 PolarHBondContact O-N 3.23Å; H196-R199 VanDerWaalsContact O-N 3.14Å; Y197-R199 VanDerWaalsContact C-N 3.28Å; Y197-R199 PolarHBondContact O-N 3.11Å
200R77.2Confident64.7Low155 Ų155109 Ų10959%0.58553%0.532SS*.Hα-helixtrans-97.1-26.7-175.4-65.1-157.4-174.8-177.71.5114.1M185 H196 P202M185-R200 VanDerWaalsContact SD-CZ 3.58Å; M185-R200 PolarHBondContact SD-NH1 3.31Å; H196-R200 WeakPolarHBondContact CE1-CD 3.26Å; H196-R200 PolarHBondContact CE1-NE 2.88Å; H196-R200 PolarHBondContact CE1-NH1 3.31Å; H196-R200 PolarHBondContact O-N 2.79Å; R200-P202 VanDerWaalsContact C-CD 3.41Å
201H81.5Confident62.2Low30 Ų30112 Ų11214%0.13955%0.548CS..  trans-129.750.6-174.7-50.8-60.6000114.2C180 I182 H196 Y197 C203 Y204C180-H201 PolarHBondContact SG-CD2 3.07Å; C180-H201 PolarHBondContact SG-NE2 3.31Å; C180-H201 VanDerWaalsContact SG-NE2 3.42Å; I182-H201 HydrophobicContact CD1-CB 3.66Å; I182-H201 VanDerWaalsContact CG2-CE1 3.46Å; I182-H201 WeakPolarHBondContact CG2-CE1 3.5Å; I182-H201 WeakPolarHBondContact CG2-ND1 3.4Å; H196-H201 AromaticContact CD2-CD2 3.72Å; H196-H201 AromaticContact CD2-NE2 3.92Å; H196-H201 AromaticContact NE2-CD2 3.16Å; H196-H201 PolarHBondContact NE2-CD2 3.24Å; H196-H201 AromaticContact NE2-CE1 3.8Å; H196-H201 AromaticContact NE2-NE2 2.58Å; H196-H201 PolarHBondContact NE2-NE2 2.74Å; Y197-H201 HydrophobicContact CD1-CB 3.96Å; Y197-H201 CarbonylContact O-C 3.43Å; Y197-H201 VanDerWaalsContact O-CA 3.31Å; Y197-H201 WeakPolarHBondContact O-CA 3.42Å; Y197-H201 PolarHBondContact O-N 2.82Å; H201-C203 PolarHBondContact O-N 3.04Å; H201-Y204 PolarHBondContact O-N 3.4Å
202P64.5Low59.5Low99 Ų99116 Ų11664%0.64357%0.567SS**THydrogen-bonded Turntrans-65.2-2.6-173.628.7-37.6000115.2R200R200-P202 VanDerWaalsContact C-CD 3.41Å
203C58.6Low56.5Low130 Ų130114.6 Ų114.688%0.87858%0.581SS**THydrogen-bonded Turntrans-88.5-15.9173.7-60.40000113.4H201H201-C203 PolarHBondContact O-N 3.04Å
204Y47.1Very low53.5Low114 Ų114120.4 Ų120.445%0.44762%0.617SS.*PPolyproline II helixtrans-87.9122.8-178-164-109.6000110.4I182 Y197 H201I182-Y204 HydrophobicContact CD1-CD1 4.12Å; I182-Y204 HydrophobicContact CD1-CD2 3.64Å; I182-Y204 HydrophobicContact CD1-CE2 4.23Å; I182-Y204 HydrophobicContact CD1-CG 3.56Å; I182-Y204 HydrophobicContact CG1-CD2 4.45Å; Y197-Y204 AromaticContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CD1 3.67Å; Y197-Y204 HydrophobicContact CD1-CE1 4.42Å; Y197-Y204 HydrophobicContact CD1-CG 4.28Å; Y197-Y204 AromaticContact CE1-CD1 3.4Å; Y197-Y204 HydrophobicContact CE1-CD1 3.4Å; Y197-Y204 VanDerWaalsContact CE1-CD1 3.4Å; Y197-Y204 AromaticContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CE1 3.73Å; Y197-Y204 HydrophobicContact CE1-CG 4.13Å; H201-Y204 PolarHBondContact O-N 3.4Å
205R42.2Very low50.8Low175 Ų175122.6 Ų122.666%0.6663%0.633SS**PPolyproline II helixtrans-103.9119.3175.3-82.8-180163-170.7-9.8109.1H207R205-H207 PolarHBondContact O-CD2 3.31Å; R205-H207 PolarHBondContact O-N 3.21Å
206S35.9Very low48Very low112 Ų112124.2 Ų124.278%0.78365%0.649SS**PPolyproline II helixtrans-66.1119.2155.551.50000108S208S206-S208 PolarHBondContact O-N 3.06Å
207H32.2Very low44.8Very low167 Ų167132.6 Ų132.677%0.77369%0.688SS**PPolyproline II helixtrans-75.4120.1176.7-81.1-109.2000109.8R205R205-H207 PolarHBondContact O-CD2 3.31Å; R205-H207 PolarHBondContact O-N 3.21Å
208S29.6Very low41.9Very low99 Ų99134.9 Ų134.969%0.69272%0.716SS**PPolyproline II helixtrans-82.5119.4160.947.50000107.8S206S206-S208 PolarHBondContact O-N 3.06Å
209I29.6Very low39.3Very low137 Ų137133.1 Ų133.170%0.70372%0.721SS**  trans-85111.3175.4-63.2171.5000107
210E22.6Very low37Very low174 Ų174132.9 Ų132.981%0.81373%0.732SS**  trans-101.1117.5168.2-70.3170.9-178.900107.1
211N27.1Very low34.6Very low148 Ų148134.3 Ų134.379%0.79175%0.746SS**  trans-121.4138.6169.6-103.9-9.4000108.9
212P29.5Very low32.2Very low131 Ų131138.3 Ų138.385%0.85177%0.774SS**  trans-91.8133-178.634.8-31.8000111.8
213G25.4Very low30.5Very low74 Ų74138.5 Ų138.576%0.76378%0.778SS**  trans-165.9135173.800000110.4
214V23.9Very low29.4Very low140 Ų140138 Ų13885%0.84877%0.771SS**  trans-76.9124.9-175.6175.90000110.3
215I26.1Very low28.7Very low164 Ų164138.8 Ų138.884%0.84178%0.783SS**  trans-138.3138.4154.6-57.5-177.2000107.6
216T25Very low28.6Very low123 Ų123133.5 Ų133.576%0.75578%0.777SS**  trans-82.4165.7-175.641.30000113.9
217E21.6Very low28.4Very low191 Ų191130.2 Ų130.289%0.89376%0.761SS**  trans-39.9126.3177.7-62.9157.9172.100116.4
218A26.3Very low28.6Very low89 Ų89126.9 Ų126.974%0.73675%0.749SS**  trans-171.3126.9136.800000111.4
219N24.3Very low29.1Very low159 Ų159127.4 Ų127.485%0.8574%0.742SS**  trans38.699.2153.8-58.4-14000120.5
220L27.2Very low29.7Very low179 Ų179130.5 Ų130.594%0.93775%0.745SS**  trans-161131.3140.6-109.6160.3000109.9
221E25.6Very low30.7Very low186 Ų186124.2 Ų124.287%0.86972%0.721SS**  trans-71.5146.3-166.5-65.4-160.4134.900114.9S223E221-S223 PolarHBondContact O-N 3.34Å
222P31.1Very low31.4Very low113 Ų113118.8 Ų118.873%0.73469%0.694SS**  trans-82117-174.931.4-34.2000113.7T224P222-T224 PolarHBondContact O-N 2.83Å
223S28.9Very low32.3Very low104 Ų104119.3 Ų119.373%0.72768%0.683SS**  trans-42.9134.3164.6179.70000113.3E221 D225E221-S223 PolarHBondContact O-N 3.34Å; S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 2.98Å
224T36.3Very low33.9Very low119 Ų119121 Ų12173%0.7367%0.674SS**THydrogen-bonded Turntrans-71.46-157.341.40000117.7P222P222-T224 PolarHBondContact O-N 2.83Å
225D33.1Very low35.3Very low130 Ų130120.9 Ų120.970%0.69566%0.658SS**Hα-helixtrans-76.6-20.8176.6-102.6-18.7000113.7S223S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 2.98Å
226A38.6Very low36.4Very low64 Ų64113.8 Ų113.853%0.52962%0.624SS.*Hα-helixtrans-74.7-35.1175.500000112.8N228 I229 R230A226-N228 VanDerWaalsContact C-N 3.35Å; A226-N228 PolarHBondContact O-N 3.43Å; A226-I229 PolarHBondContact O-N 3.32Å; A226-R230 PolarHBondContact O-N 3.18Å; A226-R230 VanDerWaalsContact O-N 3.14Å
227G32.3Very low38Very low43 Ų43111.2 Ų111.244%0.44361%0.608SS.*Hα-helixtrans-59.9-42.8-179.200000112.4I229 R230 S231G227-I229 VanDerWaalsContact C-N 3.29Å; G227-I229 PolarHBondContact O-N 2.8Å; G227-R230 PolarHBondContact O-N 2.72Å; G227-R230 VanDerWaalsContact O-N 3.15Å; G227-S231 WeakPolarHBondContact O-CB 3.39Å; G227-S231 PolarHBondContact O-N 2.81Å; G227-S231 PolarHBondContact O-OG 3.02Å
228N37.7Very low40Very low98 Ų98106.3 Ų106.352%0.52459%0.588SS.*Hα-helixtrans-63.6-30.2178-78.8-39.9000113.8A226 S231 S232A226-N228 VanDerWaalsContact C-N 3.35Å; A226-N228 PolarHBondContact O-N 3.43Å; N228-S231 PolarHBondContact O-OG 3.16Å; N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 3.24Å; N228-S232 VanDerWaalsContact O-N 3.14Å; N228-S232 PolarHBondContact O-OG 3.04Å
229I38.7Very low41.5Very low109 Ų109105.7 Ų105.756%0.55957%0.57SS**Hα-helixtrans-76.6-38.3175-61.2175.9000110.4A226 G227 K233A226-I229 PolarHBondContact O-N 3.32Å; G227-I229 VanDerWaalsContact C-N 3.29Å; G227-I229 PolarHBondContact O-N 2.8Å; I229-K233 WeakPolarHBondContact O-CB 3.47Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 3.27Å
230R43.2Very low42.8Very low203 Ų20398.9 Ų98.977%0.76653%0.534SS*.Hα-helixtrans-70.7-45.2179.7-146.1173.3-170.2166.20.6111.3A226 G227 K233 L234A226-R230 PolarHBondContact O-N 3.18Å; A226-R230 VanDerWaalsContact O-N 3.14Å; G227-R230 PolarHBondContact O-N 2.72Å; G227-R230 VanDerWaalsContact O-N 3.15Å; R230-K233 PolarHBondContact O-N 3.43Å; R230-L234 PolarHBondContact O-N 3.11Å
231S42Very low44.3Very low42 Ų4292.7 Ų92.729%0.29451%0.505SS..Hα-helixtrans-65.7-36.817566.90000112.7G227 N228 L234 R235G227-S231 WeakPolarHBondContact O-CB 3.39Å; G227-S231 PolarHBondContact O-N 2.81Å; G227-S231 PolarHBondContact O-OG 3.02Å; N228-S231 PolarHBondContact O-OG 3.16Å; S231-L234 PolarHBondContact O-N 3.18Å; S231-R235 WeakPolarHBondContact O-CB 3.4Å; S231-R235 VanDerWaalsContact O-CG 3.3Å; S231-R235 WeakPolarHBondContact O-CG 3.44Å; S231-R235 PolarHBondContact O-N 2.96Å; S231-R235 PolarHBondContact O-NE 2.88Å; S231-R235 PolarHBondContact OG-NH2 3.38Å
232S43.6Very low46Very low34 Ų3487 Ų8724%0.23848%0.483CS..Hα-helixtrans-71.4-30.7174.3-56.70000112.7N228 R235 A236N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 3.24Å; N228-S232 VanDerWaalsContact O-N 3.14Å; N228-S232 PolarHBondContact O-OG 3.04Å; S232-R235 PolarHBondContact OG-NH2 3.39Å; S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 2.87Å
233K48.5Very low47Very low142 Ų14282.3 Ų82.362%0.61745%0.452SS*.Hα-helixtrans-67.8-45.2169.1-80.6179178-176.90111.9I229 R230 A236 T237I229-K233 WeakPolarHBondContact O-CB 3.47Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 3.27Å; R230-K233 PolarHBondContact O-N 3.43Å; K233-A236 CarbonylContact O-C 3.34Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 3.2Å; K233-T237 PolarHBondContact O-N 3.03Å; K233-T237 PolarHBondContact O-OG1 3.06Å
234L58.1Low48.4Very low108 Ų10881.4 Ų81.457%0.56544%0.438SS*.Hα-helixtrans-62.1-50.7178.6-133.279.8000111.1R230 S231 A236 T237 D238R230-L234 PolarHBondContact O-N 3.11Å; S231-L234 PolarHBondContact O-N 3.18Å; L234-A236 PolarHBondContact O-N 3.04Å; L234-T237 WeakPolarHBondContact CA-OG1 3.15Å; L234-T237 PolarHBondContact O-N 3.2Å; L234-T237 PolarHBondContact O-OG1 3.43Å; L234-D238 VanDerWaalsContact O-CG 3.31Å; L234-D238 PolarHBondContact O-N 3.48Å
235R52.3Low49.1Very low138 Ų13883.5 Ų83.552%0.52144%0.437SS..Hα-helixtrans-57.9-36.3173.6-70.8-179.6-65.7-1584.3112.4S231 S232 H239S231-R235 WeakPolarHBondContact O-CB 3.4Å; S231-R235 VanDerWaalsContact O-CG 3.3Å; S231-R235 WeakPolarHBondContact O-CG 3.44Å; S231-R235 PolarHBondContact O-N 2.96Å; S231-R235 PolarHBondContact O-NE 2.88Å; S231-R235 PolarHBondContact OG-NH2 3.38Å; S232-R235 PolarHBondContact OG-NH2 3.39Å; R235-H239 WeakPolarHBondContact O-CB 3.43Å; R235-H239 PolarHBondContact O-N 3.02Å
236A49.7Very low49.8Very low15 Ų1587.5 Ų87.512%0.12444%0.442CS..Hα-helixtrans-68.5-38.7173.800000112.7S232 K233 L234 L240 L322S232-A236 WeakPolarHBondContact O-CB 3.47Å; S232-A236 PolarHBondContact O-N 2.87Å; K233-A236 CarbonylContact O-C 3.34Å; K233-A236 WeakPolarHBondContact O-CB 3.49Å; K233-A236 PolarHBondContact O-N 3.2Å; L234-A236 PolarHBondContact O-N 3.04Å; A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 WeakPolarHBondContact O-CD1 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.22Å; A236-L322 HydrophobicContact CB-CD2 3.92Å
237T58.6Low49.9Very low69 Ų6986.5 Ų86.542%0.42344%0.438SS..Hα-helixtrans-71-38.3175.946.10000112.3K233 L234 L240 S241K233-T237 PolarHBondContact O-N 3.03Å; K233-T237 PolarHBondContact O-OG1 3.06Å; L234-T237 WeakPolarHBondContact CA-OG1 3.15Å; L234-T237 PolarHBondContact O-N 3.2Å; L234-T237 PolarHBondContact O-OG1 3.43Å; T237-L240 PolarHBondContact O-N 2.99Å; T237-S241 VanDerWaalsContact O-CB 3.25Å; T237-S241 WeakPolarHBondContact O-CB 2.99Å; T237-S241 PolarHBondContact O-N 2.88Å; T237-S241 PolarHBondContact O-OG 3.19Å
238D63.7Low50.3Low88 Ų8892.1 Ų92.147%0.47145%0.453SS..Hα-helixtrans-73.9-39.2178.9-61.1-27.4000111.7L234 S241 T242L234-D238 VanDerWaalsContact O-CG 3.31Å; L234-D238 PolarHBondContact O-N 3.48Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.41Å; D238-T242 WeakPolarHBondContact O-CB 3.47Å; D238-T242 WeakPolarHBondContact O-CG2 3.44Å; D238-T242 PolarHBondContact O-N 3.4Å; D238-T242 PolarHBondContact O-OG1 3.02Å
239H57.9Low50.6Low77 Ų7798.7 Ų98.736%0.35647%0.47SS..Hα-helixtrans-70.9-34174.8-158.811.9000111.7R235 T242 I243R235-H239 WeakPolarHBondContact O-CB 3.43Å; R235-H239 PolarHBondContact O-N 3.02Å; H239-T242 WeakPolarHBondContact CA-OG1 3.35Å; H239-T242 PolarHBondContact O-OG1 2.98Å; H239-I243 WeakPolarHBondContact O-CB 3.46Å; H239-I243 WeakPolarHBondContact O-CD1 3.12Å; H239-I243 WeakPolarHBondContact O-CG1 3.44Å; H239-I243 PolarHBondContact O-N 3.4Å
240L52Low50.5Low16 Ų16104.1 Ų104.18%0.08448%0.484CS..Hα-helixtrans-74.5-33.8172.1-71.4170.5000112.7A236 T237 I243 I244 M257 L261 L344A236-L240 WeakPolarHBondContact O-CB 3.42Å; A236-L240 WeakPolarHBondContact O-CD1 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.48Å; A236-L240 PolarHBondContact O-N 3.22Å; T237-L240 PolarHBondContact O-N 2.99Å; L240-I243 PolarHBondContact O-N 3.23Å; L240-I244 HydrophobicContact CB-CD1 4.45Å; L240-I244 VanDerWaalsContact O-CB 3.22Å; L240-I244 WeakPolarHBondContact O-CB 3.48Å; L240-I244 WeakPolarHBondContact O-CD1 3.33Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 3.5Å; L240-M257 HydrophobicContact CD2-CE 4.37Å; L240-L261 HydrophobicContact CD2-CD1 4.35Å; L240-L344 HydrophobicContact CD1-CD1 3.2Å
241S59.4Low50.2Low48 Ų4899.4 Ų99.434%0.33648%0.482SS..Hα-helixtrans-66.7-41.5175.776.40000110.8T237 D238 I244 K245T237-S241 VanDerWaalsContact O-CB 3.25Å; T237-S241 WeakPolarHBondContact O-CB 2.99Å; T237-S241 PolarHBondContact O-N 2.88Å; T237-S241 PolarHBondContact O-OG 3.19Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.41Å; S241-I244 PolarHBondContact O-N 2.79Å; S241-K245 VanDerWaalsContact O-CB 3.32Å; S241-K245 WeakPolarHBondContact O-CB 3.43Å; S241-K245 VanDerWaalsContact O-CG 3.27Å; S241-K245 WeakPolarHBondContact O-CG 3.49Å; S241-K245 PolarHBondContact O-N 2.94Å
242T60.3Low50.1Low67 Ų67106.6 Ų106.641%0.41151%0.508SS..Hα-helixtrans-65-40.7172.849.40000112.8D238 H239 R246D238-T242 WeakPolarHBondContact O-CB 3.47Å; D238-T242 WeakPolarHBondContact O-CG2 3.44Å; D238-T242 PolarHBondContact O-N 3.4Å; D238-T242 PolarHBondContact O-OG1 3.02Å; H239-T242 WeakPolarHBondContact CA-OG1 3.35Å; H239-T242 PolarHBondContact O-OG1 2.98Å; T242-R246 WeakPolarHBondContact O-CG 3.45Å; T242-R246 PolarHBondContact O-N 2.85Å; T242-R246 VanDerWaalsContact O-N 3.11Å
243I52.5Low49.9Very low15 Ų15111.3 Ų111.38%0.07753%0.53CS..Hα-helixtrans-70.9-36.4175.4-62.8164.5000111.6H239 L240 R246 G247 M257 L261H239-I243 WeakPolarHBondContact O-CB 3.46Å; H239-I243 WeakPolarHBondContact O-CD1 3.12Å; H239-I243 WeakPolarHBondContact O-CG1 3.44Å; H239-I243 PolarHBondContact O-N 3.4Å; L240-I243 PolarHBondContact O-N 3.23Å; I243-R246 CarbonylContact O-C 3.44Å; I243-R246 PolarHBondContact O-N 3.26Å; I243-G247 PolarHBondContact O-N 3.3Å; I243-M257 HydrophobicContact CB-CE 4.4Å; I243-M257 HydrophobicContact CG2-CE 3.55Å; I243-M257 HydrophobicContact CG2-CG 4.03Å; I243-L261 HydrophobicContact CD1-CD2 3.88Å
244I57.9Low50Low85 Ų85109.3 Ų109.344%0.43653%0.534SS..Hα-helixtrans-68.8-43.9176.9-71.4164.2000110.6L240 S241 R246 G247 Q248 M257L240-I244 HydrophobicContact CB-CD1 4.45Å; L240-I244 VanDerWaalsContact O-CB 3.22Å; L240-I244 WeakPolarHBondContact O-CB 3.48Å; L240-I244 WeakPolarHBondContact O-CD1 3.33Å; L240-I244 WeakPolarHBondContact O-CG1 3.39Å; L240-I244 PolarHBondContact O-N 3.5Å; S241-I244 PolarHBondContact O-N 2.79Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.41Å; I244-G247 PolarHBondContact O-N 3.19Å; I244-Q248 HydrophobicContact CG2-CG 4.49Å; I244-Q248 PolarHBondContact O-N 3.2Å; I244-M257 HydrophobicContact CG1-CE 4.44Å
245K51.9Low49.4Very low163 Ų163110.2 Ų110.271%0.70954%0.539SS*.Hα-helixtrans-56.4-39.3171.9-76.7178177-174.90111.6S241S241-K245 VanDerWaalsContact O-CB 3.32Å; S241-K245 WeakPolarHBondContact O-CB 3.43Å; S241-K245 VanDerWaalsContact O-CG 3.27Å; S241-K245 WeakPolarHBondContact O-CG 3.49Å; S241-K245 PolarHBondContact O-N 2.94Å
246R46.4Very low49.8Very low214 Ų214107 Ų10781%0.80854%0.538SS*.Hα-helixtrans-72.8-32.4172.3-72.5177.1175.6179.4-0.8113.4T242 I243 I244T242-R246 WeakPolarHBondContact O-CG 3.45Å; T242-R246 PolarHBondContact O-N 2.85Å; T242-R246 VanDerWaalsContact O-N 3.11Å; I243-R246 CarbonylContact O-C 3.44Å; I243-R246 PolarHBondContact O-N 3.26Å; I244-R246 VanDerWaalsContact C-N 3.26Å; I244-R246 PolarHBondContact O-N 3.41Å
247G41.1Very low50.4Low42 Ų42109 Ų10943%0.43355%0.545SS..Hα-helixtrans-77.8-29.7-175.100000114.9I243 I244 R249 R250I243-G247 PolarHBondContact O-N 3.3Å; I244-G247 PolarHBondContact O-N 3.19Å; G247-R249 PolarHBondContact O-N 2.92Å; G247-R250 PolarHBondContact O-N 2.6Å; G247-R250 VanDerWaalsContact O-N 3.15Å
248Q41.5Very low51.1Low162 Ų162106.7 Ų106.776%0.75753%0.53SS*.THydrogen-bonded Turntrans-62.2-24-179.2-79.6-179.1-21.800113.8I244I244-Q248 HydrophobicContact CG2-CG 4.49Å; I244-Q248 PolarHBondContact O-N 3.2Å
249R42.9Very low51.8Low236 Ų236105.1 Ų105.189%0.89152%0.522SS*.THydrogen-bonded Turntrans-81.3-3.7176.8-72.1-169.3176.5-174.6-0.5115.3G247G247-R249 PolarHBondContact O-N 2.92Å
250R36.5Very low52.8Low223 Ų223107.4 Ų107.484%0.84253%0.533SS*.  trans-139.491178.6-68.9-171.6178.2175.90112.8G247G247-R250 PolarHBondContact O-N 2.6Å; G247-R250 VanDerWaalsContact O-N 3.15Å
251S36.8Very low54.4Low104 Ų104106.7 Ų106.773%0.72753%0.529SS*.  trans-62.9153.2170.480.80000111.8
252K40.3Very low55.7Low192 Ų192105 Ų10584%0.83552%0.516SS*.SBendtrans69.360.6174.3-51.1171.7-174.3169.80117.2
253N39.3Very low56.9Low134 Ų134108.5 Ų108.572%0.71752%0.522SS*.  trans-168.581.2142.1-100.4-32.2000113.9L255 S256N253-L255 PolarHBondContact O-N 2.73Å; N253-L255 VanDerWaalsContact O-N 3.07Å; N253-S256 PolarHBondContact O-OG 2.99Å
254S50.3Low58.1Low100 Ų100113.3 Ų113.370%0.69955%0.545SS*.THydrogen-bonded Turntrans-69.6-3.5-179.968.90000115.3L258S254-L258 WeakPolarHBondContact O-CD1 2.9Å
255L46.1Very low59Low126 Ų126110.8 Ų110.866%0.6653%0.532SS*.THydrogen-bonded Turntrans-90.4-25.5-175.1-13081.6000114.1N253N253-L255 PolarHBondContact O-N 2.73Å; N253-L255 VanDerWaalsContact O-N 3.07Å
256S61.3Low59.1Low72 Ų72108.2 Ų108.250%0.50353%0.532SS..THydrogen-bonded Turntrans-74.1-36.617755.60000111.8N253 L258 D259N253-S256 PolarHBondContact O-OG 2.99Å; S256-L258 PolarHBondContact O-N 2.79Å; S256-D259 PolarHBondContact O-N 3.2Å
257M61.2Low59.8Low56 Ų56100.4 Ų100.428%0.27651%0.508SS..Hα-helixtrans-55.6-34.7178.8-163.8-161.6-173.800113L240 I243 I244 D259 Q260L240-M257 HydrophobicContact CD2-CE 4.37Å; I243-M257 HydrophobicContact CB-CE 4.4Å; I243-M257 HydrophobicContact CG2-CE 3.55Å; I243-M257 HydrophobicContact CG2-CG 4.03Å; I244-M257 HydrophobicContact CG1-CE 4.44Å; M257-D259 VanDerWaalsContact C-N 3.29Å; M257-D259 PolarHBondContact O-N 3.2Å; M257-Q260 PolarHBondContact O-N 3.16Å
258L73.4Confident59.8Low21 Ų21107 Ų10711%0.1153%0.527CS..Hα-helixtrans-67.3-26.7176.4-89.772.3000113.6S254 S256 I262 K334 V337 L338 I341S254-L258 WeakPolarHBondContact O-CD1 2.9Å; S256-L258 PolarHBondContact O-N 2.79Å; L258-I262 WeakPolarHBondContact O-CD1 3.48Å; L258-I262 WeakPolarHBondContact O-CG1 3.44Å; L258-K334 HydrophobicContact CD2-CB 4.37Å; L258-V337 HydrophobicContact CG-CG1 4.46Å; L258-L338 HydrophobicContact CD1-CD2 4.45Å; L258-L338 HydrophobicContact CD2-CD1 4.04Å; L258-L338 HydrophobicContact CD2-CD2 3.92Å; L258-L338 HydrophobicContact CD2-CG 3.74Å; L258-I341 HydrophobicContact CD1-CD1 4.31Å
259D79.5Confident59.9Low54 Ų54106.1 Ų106.129%0.28952%0.523SS..Hα-helixtrans-82.1-23.3-178.4-83.7-5.9000112.7S256 M257 L261 I262 K330 K334S256-D259 PolarHBondContact O-N 3.2Å; M257-D259 VanDerWaalsContact C-N 3.29Å; M257-D259 PolarHBondContact O-N 3.2Å; D259-L261 VanDerWaalsContact C-N 3.28Å; D259-L261 PolarHBondContact O-N 3.18Å; D259-I262 PolarHBondContact O-N 2.84Å; D259-K330 VanDerWaalsContact CG-CE 3.42Å; D259-K330 WeakPolarHBondContact OD1-CE 3.19Å; D259-K330 IonicContact OD1-NZ 3.72Å; D259-K330 PolarHBondContact OD1-NZ 2.75Å; D259-K330 IonicContact OD2-NZ 3.13Å; D259-K330 PolarHBondContact OD2-NZ 2.9Å; D259-K334 WeakPolarHBondContact OD1-CE 3.45Å; D259-K334 IonicContact OD1-NZ 3.7Å; D259-K334 PolarHBondContact OD1-NZ 3.34Å; D259-K334 IonicContact OD2-NZ 2.6Å; D259-K334 PolarHBondContact OD2-NZ 3.11Å; D259-K334 VanDerWaalsContact OD2-NZ 3.13Å
260Q79.3Confident59.9Low126 Ų12698.1 Ų98.159%0.58950%0.502SS*.Hα-helixtrans-69.7-25.2171.3-66.6176.4-19.800112.6M257 I262M257-Q260 PolarHBondContact O-N 3.16Å; Q260-I262 VanDerWaalsContact C-N 3.3Å; Q260-I262 PolarHBondContact O-N 2.55Å
261L85.4Confident60.3Low0 Ų093.7 Ų93.70%050%0.499CS..THydrogen-bonded Turntrans-89.110.4179.7-63.9172.1000113.5L240 I243 D259 V321 L322 V337 I341L240-L261 HydrophobicContact CD2-CD1 4.35Å; I243-L261 HydrophobicContact CD1-CD2 3.88Å; D259-L261 VanDerWaalsContact C-N 3.28Å; D259-L261 PolarHBondContact O-N 3.18Å; L261-V321 PolarHBondContact O-N 3.17Å; L261-V321 VanDerWaalsContact O-N 3.09Å; L261-L322 HydrophobicContact CD1-CD1 4.33Å; L261-L322 HydrophobicContact CD2-CD1 4.47Å; L261-L322 HydrophobicContact CD2-CD2 4.07Å; L261-L322 HydrophobicContact CD2-CG 4.24Å; L261-V337 HydrophobicContact CB-CG1 3.79Å; L261-V337 HydrophobicContact CB-CG2 4.08Å; L261-V337 HydrophobicContact CD1-CG1 3.63Å; L261-V337 HydrophobicContact CG-CG1 4.38Å; L261-I341 HydrophobicContact CD1-CD1 4.28Å
262I86.5Confident60.8Low12 Ų1293.4 Ų93.46%0.06249%0.488CS..EExtended strand (participates in β ladder)trans-130102.7-179.7-56.3167.5000109.4L258 D259 Q260 Y318 E319 K330 A333 K334 V337L258-I262 WeakPolarHBondContact O-CD1 3.48Å; L258-I262 WeakPolarHBondContact O-CG1 3.44Å; D259-I262 PolarHBondContact O-N 2.84Å; Q260-I262 VanDerWaalsContact C-N 3.3Å; Q260-I262 PolarHBondContact O-N 2.55Å; I262-Y318 HydrophobicContact CG2-CD1 4.11Å; I262-E319 CarbonylContact C-O 3.59Å; I262-E319 VanDerWaalsContact CA-O 3.3Å; I262-E319 WeakPolarHBondContact CA-O 3.5Å; I262-K330 HydrophobicContact CD1-CG 4.36Å; I262-K330 HydrophobicContact CG2-CG 4.46Å; I262-A333 HydrophobicContact CD1-CB 3.87Å; I262-A333 HydrophobicContact CG1-CB 4.02Å; I262-A333 HydrophobicContact CG2-CB 3.76Å; I262-K334 HydrophobicContact CD1-CB 4.17Å; I262-K334 HydrophobicContact CD1-CG 3.44Å; I262-K334 VanDerWaalsContact CD1-CG 3.44Å; I262-V337 HydrophobicContact CD1-CG2 4.46Å; I262-V337 HydrophobicContact CG1-CG2 3.86Å
263Y85.5Confident60.7Low141 Ų14191.8 Ų91.855%0.55348%0.484SS*.EExtended strand (participates in β ladder)trans-72.3135.9171.8-167.7-112.5000110I265 Y318 E319Y263-I265 HydrophobicContact CD1-CG1 3.86Å; Y263-I265 HydrophobicContact CE1-CG1 4.24Å; Y263-Y318 CarbonylContact O-C 3.58Å; Y263-Y318 WeakPolarHBondContact O-CA 3.49Å; Y263-E319 PolarHBondContact N-O 2.93Å; Y263-E319 PolarHBondContact O-N 3.04Å
264Q77.7Confident60.6Low117 Ų11791 Ų9155%0.54748%0.48SS..EExtended strand (participates in β ladder)trans-99.4109.9168.8-176.7174.5-50.100108.1S317 Y318Q264-S317 CarbonylContact C-O 3.59Å; Q264-S317 WeakPolarHBondContact CA-O 3.33Å; Q264-Y318 HydrophobicContact CB-CD1 4.26Å; Q264-Y318 HydrophobicContact CB-CE1 4.15Å; Q264-Y318 HydrophobicContact CG-CD1 4.25Å; Q264-Y318 HydrophobicContact CG-CE1 3.85Å; Q264-Y318 VanDerWaalsContact OE1-CE1 3.24Å; Q264-Y318 PolarHBondContact OE1-OH 3.42Å
265I75.9Confident59.9Low31 Ų3193.7 Ų93.716%0.15949%0.486CS..  trans-72.8128.8178.3-53.3171.8000107.9Y263 V267 S317 E319 R326Y263-I265 HydrophobicContact CD1-CG1 3.86Å; Y263-I265 HydrophobicContact CE1-CG1 4.24Å; I265-V267 PolarHBondContact O-N 2.75Å; I265-S317 PolarHBondContact N-O 2.89Å; I265-E319 HydrophobicContact CD1-CB 4.12Å; I265-E319 WeakPolarHBondContact CD1-OE2 3.4Å; I265-E319 HydrophobicContact CG1-CB 4.37Å; I265-R326 HydrophobicContact CD1-CG 4.33Å; I265-R326 VanDerWaalsContact CD1-CZ 3.43Å; I265-R326 VanDerWaalsContact CD1-NH2 3.26Å
266P53.6Low59.5Low109 Ų10992.4 Ų92.471%0.70849%0.488SS*.  trans-57.2122.3165.7-21.633.6000109
267V61.3Low58.1Low50 Ų5097.7 Ų97.730%0.30350%0.504SS..  trans-121125.7175.9174.60000106I265 Q269 N315I265-V267 PolarHBondContact O-N 2.75Å; V267-Q269 PolarHBondContact O-N 3.41Å; V267-N315 HydrophobicContact CG1-CB 3.88Å; V267-N315 WeakPolarHBondContact CG1-ND2 3.48Å
268E41.8Very low56.7Low182 Ų18299.5 Ų99.585%0.8553%0.528SS*.PPolyproline II helixtrans-46.7125.9172.7-68.7179.516400110P270E268-P270 WeakPolarHBondContact O-CD 3.46Å
269Q43.2Very low54.9Low142 Ų142105.9 Ų105.966%0.66456%0.561SS**PPolyproline II helixtrans-79.2120.8-175.5-56.9-160.257.700107.7V267 V271V267-Q269 PolarHBondContact O-N 3.41Å; Q269-V271 PolarHBondContact O-N 3Å
270P43.1Very low52.6Low69 Ų69113.7 Ų113.745%0.44859%0.592SS.*PPolyproline II helixtrans-61119.4171.525.1-32.4000107.9E268 I272E268-P270 WeakPolarHBondContact O-CD 3.46Å; P270-I272 PolarHBondContact O-N 2.89Å; P270-I272 VanDerWaalsContact O-N 3.11Å
271V45.9Very low50.6Low130 Ų130112.3 Ų112.379%0.78860%0.596SS**PPolyproline II helixtrans-53.7117.7-179.3179.40000108.5Q269 Q273Q269-V271 PolarHBondContact O-N 3Å; V271-Q273 HydrophobicContact CG1-CG 4.4Å; V271-Q273 PolarHBondContact O-N 3.24Å
272I47.3Very low48.1Very low97 Ų97120.6 Ų120.650%0.49764%0.641SS.*  trans-84.293.5174-56.9177.8000105.8P270 D274P270-I272 PolarHBondContact O-N 2.89Å; P270-I272 VanDerWaalsContact O-N 3.11Å; I272-D274 PolarHBondContact O-N 3.06Å; I272-D274 VanDerWaalsContact O-N 3.13Å
273Q37.1Very low46.1Very low158 Ų158131.3 Ų131.374%0.73868%0.68SS**  trans-63.9111.9167.8-74.2177.3-2000108.4V271 N275V271-Q273 HydrophobicContact CG1-CG 4.4Å; V271-Q273 PolarHBondContact O-N 3.24Å; Q273-N275 PolarHBondContact O-N 3.1Å
274D37.3Very low44.1Very low119 Ų119134.8 Ų134.864%0.63670%0.698SS**  trans-75101.3171.1-91.4-33.6000108.5I272 S276I272-D274 PolarHBondContact O-N 3.06Å; I272-D274 VanDerWaalsContact O-N 3.13Å; D274-S276 PolarHBondContact O-N 2.94Å
275N36.6Very low42.2Very low155 Ų155138.9 Ų138.983%0.82971%0.714SS**  trans-70.776.7171-73.613000109.9Q273Q273-N275 PolarHBondContact O-N 3.1Å
276S36Very low40.5Very low100 Ų100148.7 Ų148.770%0.69975%0.749SS**  trans-124.244.3174.963.50000112.7D274D274-S276 PolarHBondContact O-N 2.94Å
277H32.6Very low40.2Very low183 Ų183152.9 Ų152.985%0.84776%0.756SS**  trans-98.3140.6163.5-80.7-90.4000111.2
278A31.2Very low40.2Very low93 Ų93156.2 Ų156.277%0.76978%0.777SS**SBendtrans58.296.4168.700000118.3
279I35.6Very low41.7Very low156 Ų156150.1 Ų150.180%0.875%0.753SS**  177.9126.996.2-84.3159.3000108.1S281I279-S281 PolarHBondContact O-N 2.92Å
280K31.1Very low43.6Very low218 Ų218147.4 Ų147.495%0.94874%0.737SS**  trans-80.6105.2177.3-65.7175.1-179.9174.90109.6
281S38.5Very low45.7Very low97 Ų97148.5 Ų148.568%0.67874%0.739SS**  trans-152.7138.3159.965.20000113.6I279 R283I279-S281 PolarHBondContact O-N 2.92Å; S281-R283 PolarHBondContact O-N 3.23Å; S281-R283 VanDerWaalsContact O-N 3.14Å
282N33.1Very low47.5Very low174 Ų174142.3 Ų142.393%0.9370%0.701SS**  trans-85.478.3-167.3-85.7-29.4000113.6
283R43.2Very low49.1Very low237 Ų237141.8 Ų141.889%0.89471%0.707SS**SBendtrans-136.2105.7161.9-71.3-169.9174.4167.1-0.6112.8S281 K285S281-R283 PolarHBondContact O-N 3.23Å; S281-R283 VanDerWaalsContact O-N 3.14Å; R283-K285 PolarHBondContact O-N 3.24Å; R283-K285 VanDerWaalsContact O-N 3.15Å
284K43.9Very low51.2Low214 Ų214138.5 Ų138.593%0.9370%0.697SS**  trans10.483.9168.1-68.6176.4179.3172.40115.1R286K284-R286 PolarHBondContact O-N 3.24Å
285K38.9Very low53.5Low202 Ų202134.5 Ų134.588%0.87868%0.678SS**  trans-51106.2-173.6-69.6179.8178176.90113.2R283 K287R283-K285 PolarHBondContact O-N 3.24Å; R283-K285 VanDerWaalsContact O-N 3.15Å; K285-K287 PolarHBondContact O-N 3.13Å
286R39.5Very low55.7Low238 Ų238133.4 Ų133.490%0.89867%0.668SS**  trans-62.3115.8156.2-70.1177.8175.1172.60.2107K284 T288K284-R286 PolarHBondContact O-N 3.24Å; R286-T288 PolarHBondContact O-N 2.97Å
287K47.3Very low58Low196 Ų196134.4 Ų134.485%0.85266%0.66SS**PPolyproline II helixtrans-53.4117176.6-68.9-169.4176.3-169.20109.3K285K285-K287 PolarHBondContact O-N 3.13Å
288T60.5Low60.5Low121 Ų121132.6 Ų132.674%0.74265%0.649SS**PPolyproline II helixtrans-62132.1-179.4350000109.3R286 Y290R286-T288 PolarHBondContact O-N 2.97Å; T288-Y290 PolarHBondContact O-N 3.19Å
289P73.1Confident63.2Low54 Ų54130 Ų13035%0.35162%0.62SS.*PPolyproline II helixtrans-77.3121.9-176.229.7-33.8000110.7L291 K298 F299P289-L291 VanDerWaalsContact O-CD1 3.31Å; P289-L291 WeakPolarHBondContact O-CD1 3.44Å; P289-L291 PolarHBondContact O-N 3.32Å; P289-K298 HydrophobicContact CB-CB 4.02Å; P289-K298 HydrophobicContact CB-CG 4.34Å; P289-K298 HydrophobicContact CG-CB 4.19Å; P289-K298 HydrophobicContact CG-CD 3.94Å; P289-K298 HydrophobicContact CG-CG 4.03Å; P289-F299 CarbonylContact C-O 3.58Å; P289-F299 WeakPolarHBondContact CA-O 3.14Å
290Y84.8Confident65.6Low84 Ų84128.5 Ų128.533%0.32962%0.619SS.*EExtended strand (participates in β ladder)trans-50.6116.2178.4-56.7-86.7000111.8T288 F299 P302T288-Y290 PolarHBondContact O-N 3.19Å; Y290-F299 PolarHBondContact N-O 3.22Å; Y290-F299 PolarHBondContact O-N 2.93Å; Y290-P302 HydrophobicContact CD1-CG 4.31Å; Y290-P302 HydrophobicContact CD2-CG 4.31Å; Y290-P302 HydrophobicContact CE1-CG 3.8Å; Y290-P302 VanDerWaalsContact CE2-CD 3.47Å; Y290-P302 HydrophobicContact CE2-CG 3.8Å
291L86Confident68.3Low92 Ų92124.1 Ų124.148%0.48260%0.6SS.*EExtended strand (participates in β ladder)trans-86.5145.3176.3-70.896.8000110.9P289 H296 K297 K298 L305P289-L291 VanDerWaalsContact O-CD1 3.31Å; P289-L291 WeakPolarHBondContact O-CD1 3.44Å; P289-L291 PolarHBondContact O-N 3.32Å; L291-H296 HydrophobicContact CD2-CB 4.34Å; L291-K297 WeakPolarHBondContact CA-O 3.48Å; L291-K298 HydrophobicContact CD1-CG 4.46Å; L291-K298 HydrophobicContact CD2-CG 4.2Å; L291-K298 HydrophobicContact CG-CG 3.89Å; L291-L305 WeakPolarHBondContact O-CD2 3.45Å
292C83.9Confident70.5Confident0 Ų0122.2 Ų122.20%059%0.585CS.*PPolyproline II helixtrans-74126.9161.8177.20000110.4V294 C295 H296 K297 F299 L305 H308 M309 H312C292-V294 VanDerWaalsContact C-N 3.28Å; C292-V294 PolarHBondContact O-N 2.85Å; C292-V294 PolarHBondContact SG-N 3.13Å; C292-V294 VanDerWaalsContact SG-N 3.36Å; C292-C295 PolarHBondContact SG-N 2.91Å; C292-C295 VanDerWaalsContact SG-N 3.41Å; C292-H296 WeakPolarHBondContact O-CA 3.49Å; C292-H296 PolarHBondContact O-N 3.42Å; C292-H296 PolarHBondContact O-ND1 3Å; C292-K297 PolarHBondContact N-O 2.71Å; C292-F299 HydrophobicContact CB-CE2 4.19Å; C292-L305 HydrophobicContact CB-CD1 3.78Å; C292-H308 PolarHBondContact SG-NE2 2.87Å; C292-M309 HydrophobicContact CB-SD 4.39Å; C292-H312 VanDerWaalsContact SG-CD2 3.5Å; C292-H312 PolarHBondContact SG-NE2 2.56Å
293S81.8Confident72.8Confident87 Ų87117.8 Ų117.861%0.60857%0.567SS**THydrogen-bonded Turntrans-57.3-38.817247.60000112.8H296 M309S293-H296 PolarHBondContact O-CE1 3.28Å; S293-M309 WeakPolarHBondContact OG-CE 3.46Å
294V79.4Confident74.8Confident89 Ų89109.4 Ų109.454%0.53954%0.54SS..THydrogen-bonded Turntrans-86.6-22.2-171.6-168.20000114.5C292 H312C292-V294 VanDerWaalsContact C-N 3.28Å; C292-V294 PolarHBondContact O-N 2.85Å; C292-V294 PolarHBondContact SG-N 3.13Å; C292-V294 VanDerWaalsContact SG-N 3.36Å; V294-H312 HydrophobicContact CB-CB 4.36Å; V294-H312 HydrophobicContact CG1-CB 4.29Å; V294-H312 WeakPolarHBondContact CG1-ND1 3.36Å; V294-H312 HydrophobicContact CG2-CB 4.3Å
295C86.4Confident76.9Confident35 Ų3599.7 Ų99.724%0.23650%0.498CS..THydrogen-bonded Turntrans-145.515176.780.80000115.8C292 K297 H308 H312C292-C295 PolarHBondContact SG-N 2.91Å; C292-C295 VanDerWaalsContact SG-N 3.41Å; C295-K297 PolarHBondContact O-N 3.42Å; C295-H308 VanDerWaalsContact SG-CE1 3.5Å; C295-H308 PolarHBondContact SG-NE2 2.76Å; C295-H312 WeakPolarHBondContact CB-CE1 3.37Å; C295-H312 WeakPolarHBondContact CB-NE2 3.45Å; C295-H312 PolarHBondContact SG-CE1 2.73Å; C295-H312 PolarHBondContact SG-NE2 3.41Å
296H82.8Confident78.9Confident132 Ų13295.1 Ų95.161%0.61148%0.478SS*.  trans53.815.4172.8-45.4-55.8000116.3L291 C292 S293 K298L291-H296 HydrophobicContact CD2-CB 4.34Å; C292-H296 WeakPolarHBondContact O-CA 3.49Å; C292-H296 PolarHBondContact O-N 3.42Å; C292-H296 PolarHBondContact O-ND1 3Å; S293-H296 PolarHBondContact O-CE1 3.28Å; H296-K298 PolarHBondContact O-N 3.39Å
297K84.2Confident80.8Confident121 Ų12190.2 Ų90.253%0.52646%0.46SS..  trans-65.6130.3172.8-77174.2-170.8146.60109.9L291 C292 C295 F299L291-K297 WeakPolarHBondContact CA-O 3.48Å; C292-K297 PolarHBondContact N-O 2.71Å; C295-K297 PolarHBondContact O-N 3.42Å; K297-F299 HydrophobicContact CB-CE2 3.53Å; K297-F299 HydrophobicContact CB-CZ 3.75Å; K297-F299 WeakPolarHBondContact O-CD2 3.49Å; K297-F299 WeakPolarHBondContact O-CE2 3.43Å
298K85Confident82.6Confident145 Ų14581.6 Ų81.663%0.6342%0.423SS*.EExtended strand (participates in β ladder)trans-84125.9179.2-75.9172.8-179.3-178.80110.7P289 L291 H296P289-K298 HydrophobicContact CB-CB 4.02Å; P289-K298 HydrophobicContact CB-CG 4.34Å; P289-K298 HydrophobicContact CG-CB 4.19Å; P289-K298 HydrophobicContact CG-CD 3.94Å; P289-K298 HydrophobicContact CG-CG 4.03Å; L291-K298 HydrophobicContact CD1-CG 4.46Å; L291-K298 HydrophobicContact CD2-CG 4.2Å; L291-K298 HydrophobicContact CG-CG 3.89Å; H296-K298 PolarHBondContact O-N 3.39Å
299F88.6Confident83.4Confident37 Ų3777.3 Ų77.316%0.16240%0.395CS..EExtended strand (participates in β ladder)trans-117.4141.3179.1-65.1-82.9000111.3P289 Y290 C292 K297 K301 L304 L305 H308P289-F299 CarbonylContact C-O 3.58Å; P289-F299 WeakPolarHBondContact CA-O 3.14Å; Y290-F299 PolarHBondContact N-O 3.22Å; Y290-F299 PolarHBondContact O-N 2.93Å; C292-F299 HydrophobicContact CB-CE2 4.19Å; K297-F299 HydrophobicContact CB-CE2 3.53Å; K297-F299 HydrophobicContact CB-CZ 3.75Å; K297-F299 WeakPolarHBondContact O-CD2 3.49Å; K297-F299 WeakPolarHBondContact O-CE2 3.43Å; F299-K301 VanDerWaalsContact C-N 3.31Å; F299-K301 PolarHBondContact O-N 3.09Å; F299-L304 HydrophobicContact CB-CB 4.25Å; F299-L304 HydrophobicContact CD1-CB 3.87Å; F299-L304 HydrophobicContact CG-CB 4.42Å; F299-L305 HydrophobicContact CB-CB 4.1Å; F299-L305 HydrophobicContact CD2-CB 4.07Å; F299-L305 HydrophobicContact CD2-CD1 3.77Å; F299-L305 HydrophobicContact CE2-CD1 4.07Å; F299-L305 HydrophobicContact CG-CB 4.16Å; F299-H308 HydrophobicContact CE1-CB 3.72Å; F299-H308 AromaticContact CE1-CG 3.99Å; F299-H308 HydrophobicContact CE2-CB 3.91Å; F299-H308 AromaticContact CE2-CD2 3.14Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.17Å; F299-H308 AromaticContact CE2-CG 3.59Å; F299-H308 AromaticContact CE2-NE2 3.86Å; F299-H308 HydrophobicContact CZ-CB 3.39Å; F299-H308 AromaticContact CZ-CD2 3.22Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.2Å; F299-H308 AromaticContact CZ-CG 3.16Å; F299-H308 AromaticContact CZ-ND1 3.85Å; F299-H308 AromaticContact CZ-NE2 3.88Å
300V86.1Confident83.7Confident126 Ų12676.1 Ų76.176%0.76439%0.386SS*.SBendtrans-79.9-14.3-177.1-174.30000112.4
301K87.3Confident83.2Confident126 Ų12677.9 Ų77.955%0.54840%0.4SS..SBendtrans-145.1147.4-178.7-64.3-167.1174.7-163.30111.1F299 S303 L304 L305F299-K301 VanDerWaalsContact C-N 3.31Å; F299-K301 PolarHBondContact O-N 3.09Å; K301-S303 VanDerWaalsContact C-N 3.27Å; K301-S303 PolarHBondContact O-N 3.17Å; K301-L304 HydrophobicContact CB-CD1 4.34Å; K301-L304 HydrophobicContact CB-CG 4.26Å; K301-L304 PolarHBondContact O-N 3.05Å; K301-L305 PolarHBondContact O-N 3.13Å
302P85.3Confident82.7Confident57 Ų5776.9 Ų76.937%0.3739%0.393SS..Hα-helixtrans-57.1-39.5174.4-22.632.5000112.2Y290 L304 L305 K306Y290-P302 HydrophobicContact CD1-CG 4.31Å; Y290-P302 HydrophobicContact CD2-CG 4.31Å; Y290-P302 HydrophobicContact CE1-CG 3.8Å; Y290-P302 VanDerWaalsContact CE2-CD 3.47Å; Y290-P302 HydrophobicContact CE2-CG 3.8Å; P302-L304 VanDerWaalsContact C-N 3.25Å; P302-L304 PolarHBondContact O-N 3.2Å; P302-L305 CarbonylContact O-C 3.58Å; P302-L305 WeakPolarHBondContact O-CA 3.22Å; P302-L305 WeakPolarHBondContact O-CB 3.4Å; P302-L305 PolarHBondContact O-N 3.1Å; P302-K306 PolarHBondContact O-N 3.26Å
303S81.3Confident82.2Confident80 Ų8079.8 Ų79.856%0.55941%0.411SS*.Hα-helixtrans-63.9-27.1178.257.40000114.1K301 R307K301-S303 VanDerWaalsContact C-N 3.27Å; K301-S303 PolarHBondContact O-N 3.17Å; S303-R307 WeakPolarHBondContact O-CB 3.46Å; S303-R307 PolarHBondContact O-N 2.95Å; S303-R307 VanDerWaalsContact O-N 3.12Å
304L85.2Confident81.4Confident62 Ų6283.8 Ų83.833%0.32542%0.417SS..Hα-helixtrans-78.3-34.8172.7-66.1175.9000111.6F299 K301 P302 H308F299-L304 HydrophobicContact CB-CB 4.25Å; F299-L304 HydrophobicContact CD1-CB 3.87Å; F299-L304 HydrophobicContact CG-CB 4.42Å; K301-L304 HydrophobicContact CB-CD1 4.34Å; K301-L304 HydrophobicContact CB-CG 4.26Å; K301-L304 PolarHBondContact O-N 3.05Å; P302-L304 VanDerWaalsContact C-N 3.25Å; P302-L304 PolarHBondContact O-N 3.2Å; L304-H308 VanDerWaalsContact O-CB 3.32Å; L304-H308 WeakPolarHBondContact O-CB 3.4Å; L304-H308 PolarHBondContact O-N 2.83Å
305L88.4Confident81Confident10 Ų1082.4 Ų82.45%0.05241%0.407CS..Hα-helixtrans-65.8-50.4170.5175.257.2000110.8L291 C292 F299 K301 P302 R307 H308 M309L291-L305 WeakPolarHBondContact O-CD2 3.45Å; C292-L305 HydrophobicContact CB-CD1 3.78Å; F299-L305 HydrophobicContact CB-CB 4.1Å; F299-L305 HydrophobicContact CD2-CB 4.07Å; F299-L305 HydrophobicContact CD2-CD1 3.77Å; F299-L305 HydrophobicContact CE2-CD1 4.07Å; F299-L305 HydrophobicContact CG-CB 4.16Å; K301-L305 PolarHBondContact O-N 3.13Å; P302-L305 CarbonylContact O-C 3.58Å; P302-L305 WeakPolarHBondContact O-CA 3.22Å; P302-L305 WeakPolarHBondContact O-CB 3.4Å; P302-L305 PolarHBondContact O-N 3.1Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.22Å; L305-H308 CarbonylContact O-C 3.49Å; L305-H308 VanDerWaalsContact O-CA 3.31Å; L305-H308 WeakPolarHBondContact O-CA 3.15Å; L305-H308 WeakPolarHBondContact O-CB 3.2Å; L305-H308 PolarHBondContact O-N 3.33Å; L305-M309 HydrophobicContact CD1-CE 3.89Å; L305-M309 HydrophobicContact CD1-CG 4.14Å; L305-M309 HydrophobicContact CD1-SD 3.82Å; L305-M309 HydrophobicContact CG-CE 4.41Å; L305-M309 HydrophobicContact CG-CG 4.38Å; L305-M309 WeakPolarHBondContact O-CG 3.41Å; L305-M309 PolarHBondContact O-N 3.31Å
306K80.8Confident80.8Confident105 Ų10585.4 Ų85.446%0.45742%0.416SS..Hα-helixtrans-54.6-45.7176.5-168.4165.9-172.6164.30111.6P302 H308 M309 T310P302-K306 PolarHBondContact O-N 3.26Å; K306-H308 VanDerWaalsContact C-N 3.28Å; K306-H308 PolarHBondContact O-N 3.43Å; K306-M309 PolarHBondContact O-N 2.84Å; K306-T310 PolarHBondContact O-N 3.22Å
307R78.9Confident80.7Confident135 Ų13580.3 Ų80.351%0.50940%0.395SS..Hα-helixtrans-66.5-26.3173.1-168.7-17766.6160.8-0.7113.5S303 L305 T310S303-R307 WeakPolarHBondContact O-CB 3.46Å; S303-R307 PolarHBondContact O-N 2.95Å; S303-R307 VanDerWaalsContact O-N 3.12Å; L305-R307 VanDerWaalsContact C-N 3.33Å; L305-R307 PolarHBondContact O-N 3.22Å; R307-T310 PolarHBondContact O-OG1 3.24Å
308H84.3Confident80.9Confident16 Ų1676.7 Ų76.77%0.07438%0.378CS..Hα-helixtrans-79.2-34.4173.5168.256.8000112.2C292 C295 F299 L304 L305 K306 T310 I311 H312C292-H308 PolarHBondContact SG-NE2 2.87Å; C295-H308 VanDerWaalsContact SG-CE1 3.5Å; C295-H308 PolarHBondContact SG-NE2 2.76Å; F299-H308 HydrophobicContact CE1-CB 3.72Å; F299-H308 AromaticContact CE1-CG 3.99Å; F299-H308 HydrophobicContact CE2-CB 3.91Å; F299-H308 AromaticContact CE2-CD2 3.14Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.17Å; F299-H308 AromaticContact CE2-CG 3.59Å; F299-H308 AromaticContact CE2-NE2 3.86Å; F299-H308 HydrophobicContact CZ-CB 3.39Å; F299-H308 AromaticContact CZ-CD2 3.22Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.2Å; F299-H308 AromaticContact CZ-CG 3.16Å; F299-H308 AromaticContact CZ-ND1 3.85Å; F299-H308 AromaticContact CZ-NE2 3.88Å; L304-H308 VanDerWaalsContact O-CB 3.32Å; L304-H308 WeakPolarHBondContact O-CB 3.4Å; L304-H308 PolarHBondContact O-N 2.83Å; L305-H308 CarbonylContact O-C 3.49Å; L305-H308 VanDerWaalsContact O-CA 3.31Å; L305-H308 WeakPolarHBondContact O-CA 3.15Å; L305-H308 WeakPolarHBondContact O-CB 3.2Å; L305-H308 PolarHBondContact O-N 3.33Å; K306-H308 VanDerWaalsContact C-N 3.28Å; K306-H308 PolarHBondContact O-N 3.43Å; H308-T310 PolarHBondContact O-N 3.05Å; H308-I311 WeakPolarHBondContact O-CB 3.43Å; H308-I311 WeakPolarHBondContact O-CG1 3.3Å; H308-I311 PolarHBondContact O-N 2.96Å; H308-H312 AromaticContact CD2-NE2 3.52Å; H308-H312 AromaticContact CE1-CD2 3.9Å; H308-H312 AromaticContact CE1-NE2 2.78Å; H308-H312 PolarHBondContact CE1-NE2 3.12Å; H308-H312 AromaticContact ND1-NE2 3.94Å; H308-H312 AromaticContact NE2-CD2 3.73Å; H308-H312 AromaticContact NE2-NE2 2.41Å; H308-H312 PolarHBondContact NE2-NE2 3.24Å
309M77.9Confident81.1Confident31 Ų3171.4 Ų71.415%0.15336%0.356CS..Hα-helixtrans-59.8-30.2175.5-65.1-46.2-145.400112.1C292 S293 L305 K306 I311 H312 T313C292-M309 HydrophobicContact CB-SD 4.39Å; S293-M309 WeakPolarHBondContact OG-CE 3.46Å; L305-M309 HydrophobicContact CD1-CE 3.89Å; L305-M309 HydrophobicContact CD1-CG 4.14Å; L305-M309 HydrophobicContact CD1-SD 3.82Å; L305-M309 HydrophobicContact CG-CE 4.41Å; L305-M309 HydrophobicContact CG-CG 4.38Å; L305-M309 WeakPolarHBondContact O-CG 3.41Å; L305-M309 PolarHBondContact O-N 3.31Å; K306-M309 PolarHBondContact O-N 2.84Å; M309-I311 PolarHBondContact O-N 2.83Å; M309-H312 WeakPolarHBondContact O-CA 3.24Å; M309-H312 PolarHBondContact O-N 3.49Å; M309-T313 PolarHBondContact O-N 3.23Å; M309-T313 PolarHBondContact O-OG1 2.89Å
310T78.4Confident81Confident29 Ų2969.7 Ų69.718%0.17835%0.348CS..Hα-helixtrans-61.6-14.3172.575.60000113.8K306 R307 H308 K314K306-T310 PolarHBondContact O-N 3.22Å; R307-T310 PolarHBondContact O-OG1 3.24Å; H308-T310 PolarHBondContact O-N 3.05Å; T310-K314 VanDerWaalsContact O-CA 3.26Å; T310-K314 WeakPolarHBondContact O-CA 3.26Å; T310-K314 PolarHBondContact O-N 2.83Å
311I76.1Confident81.1Confident120 Ų12065.9 Ų65.962%0.61533%0.325SS*.Hα-helixtrans-77.7-34.2172.1-55.6-178.1000110.5H308 M309H308-I311 WeakPolarHBondContact O-CB 3.43Å; H308-I311 WeakPolarHBondContact O-CG1 3.3Å; H308-I311 PolarHBondContact O-N 2.96Å; M309-I311 PolarHBondContact O-N 2.83Å
312H74.2Confident81Confident72 Ų7260.5 Ų60.533%0.33330%0.302SS..Hα-helixtrans-82.7-52.1178.4-65.4-61.7000111.5C292 V294 C295 H308 M309 K314C292-H312 VanDerWaalsContact SG-CD2 3.5Å; C292-H312 PolarHBondContact SG-NE2 2.56Å; V294-H312 HydrophobicContact CB-CB 4.36Å; V294-H312 HydrophobicContact CG1-CB 4.29Å; V294-H312 WeakPolarHBondContact CG1-ND1 3.36Å; V294-H312 HydrophobicContact CG2-CB 4.3Å; C295-H312 WeakPolarHBondContact CB-CE1 3.37Å; C295-H312 WeakPolarHBondContact CB-NE2 3.45Å; C295-H312 PolarHBondContact SG-CE1 2.73Å; C295-H312 PolarHBondContact SG-NE2 3.41Å; H308-H312 AromaticContact CD2-NE2 3.52Å; H308-H312 AromaticContact CE1-CD2 3.9Å; H308-H312 AromaticContact CE1-NE2 2.78Å; H308-H312 PolarHBondContact CE1-NE2 3.12Å; H308-H312 AromaticContact ND1-NE2 3.94Å; H308-H312 AromaticContact NE2-CD2 3.73Å; H308-H312 AromaticContact NE2-NE2 2.41Å; H308-H312 PolarHBondContact NE2-NE2 3.24Å; M309-H312 WeakPolarHBondContact O-CA 3.24Å; M309-H312 PolarHBondContact O-N 3.49Å; H312-K314 VanDerWaalsContact C-N 3.27Å; H312-K314 PolarHBondContact O-N 2.88Å
313T72.9Confident81.1Confident61 Ų6160.2 Ų60.237%0.37430%0.301SS..SBendtrans-74.9-15.9-17964.70000113.3M309 N315M309-T313 PolarHBondContact O-N 3.23Å; M309-T313 PolarHBondContact O-OG1 2.89Å; T313-N315 PolarHBondContact O-N 3.5Å; T313-N315 PolarHBondContact O-OD1 3.22Å; T313-N315 VanDerWaalsContact O-OD1 3.09Å; T313-N315 WeakPolarHBondContact OG1-CB 3.49Å; T313-N315 VanDerWaalsContact OG1-CG 3.28Å; T313-N315 PolarHBondContact OG1-N 3.37Å; T313-N315 PolarHBondContact OG1-ND2 2.92Å
314K66.8Low81.2Confident170 Ų17061.5 Ų61.574%0.73930%0.298SS*.  trans56.511-168.4-57.3171.4-174.2159.90114.2T310 H312 K316T310-K314 VanDerWaalsContact O-CA 3.26Å; T310-K314 WeakPolarHBondContact O-CA 3.26Å; T310-K314 PolarHBondContact O-N 2.83Å; H312-K314 VanDerWaalsContact C-N 3.27Å; H312-K314 PolarHBondContact O-N 2.88Å; K314-K316 PolarHBondContact O-N 3.43Å; K314-K316 VanDerWaalsContact O-N 3.12Å
315N69.7Low81Confident60 Ų6060 Ų6032%0.32129%0.294SS..  trans-63.9115.7-173.3-70.2-8.4000111.6V267 T313V267-N315 HydrophobicContact CG1-CB 3.88Å; V267-N315 WeakPolarHBondContact CG1-ND2 3.48Å; T313-N315 PolarHBondContact O-N 3.5Å; T313-N315 PolarHBondContact O-OD1 3.22Å; T313-N315 VanDerWaalsContact O-OD1 3.09Å; T313-N315 WeakPolarHBondContact OG1-CB 3.49Å; T313-N315 VanDerWaalsContact OG1-CG 3.28Å; T313-N315 PolarHBondContact OG1-N 3.37Å; T313-N315 PolarHBondContact OG1-ND2 2.92Å
316K82.2Confident80.9Confident99 Ų9965 Ų6543%0.4331%0.313SS..  trans-101.992.5176.8-71.4163.3156.9-142.10108.9K314 Y318 R326 F327 T328K314-K316 PolarHBondContact O-N 3.43Å; K314-K316 VanDerWaalsContact O-N 3.12Å; K316-Y318 VanDerWaalsContact C-N 3.35Å; K316-Y318 PolarHBondContact O-N 3.07Å; K316-R326 HydrophobicContact CB-CB 3.69Å; K316-R326 HydrophobicContact CD-CB 3.83Å; K316-R326 VanDerWaalsContact CD-O 3.26Å; K316-R326 WeakPolarHBondContact CD-O 3.13Å; K316-R326 VanDerWaalsContact CE-O 3.25Å; K316-R326 WeakPolarHBondContact CE-O 3.24Å; K316-R326 HydrophobicContact CG-CB 4.37Å; K316-R326 PolarHBondContact NZ-O 3.3Å; K316-F327 CarbonylContact C-O 3.59Å; K316-F327 VanDerWaalsContact C-O 3.28Å; K316-F327 VanDerWaalsContact CA-O 3.3Å; K316-F327 WeakPolarHBondContact CA-O 3.4Å; K316-T328 HydrophobicContact CG-CG2 3.91Å
317S80.9Confident81.2Confident24 Ų2461.8 Ų61.817%0.16830%0.299CS..  trans-81.4-3.6-172.759.70000115.3Q264 I265 F327Q264-S317 CarbonylContact C-O 3.59Å; Q264-S317 WeakPolarHBondContact CA-O 3.33Å; I265-S317 PolarHBondContact N-O 2.89Å; S317-F327 PolarHBondContact N-O 3.09Å
318Y87.8Confident81.4Confident46 Ų4657.9 Ų57.918%0.1829%0.29CS..EExtended strand (participates in β ladder)trans-125.4121.7-177.7-62.4-75.2000110.8I262 Y263 Q264 K316 R326 F327 Q329 K330I262-Y318 HydrophobicContact CG2-CD1 4.11Å; Y263-Y318 CarbonylContact O-C 3.58Å; Y263-Y318 WeakPolarHBondContact O-CA 3.49Å; Q264-Y318 HydrophobicContact CB-CD1 4.26Å; Q264-Y318 HydrophobicContact CB-CE1 4.15Å; Q264-Y318 HydrophobicContact CG-CD1 4.25Å; Q264-Y318 HydrophobicContact CG-CE1 3.85Å; Q264-Y318 VanDerWaalsContact OE1-CE1 3.24Å; Q264-Y318 PolarHBondContact OE1-OH 3.42Å; K316-Y318 VanDerWaalsContact C-N 3.35Å; K316-Y318 PolarHBondContact O-N 3.07Å; Y318-R326 CarbonylContact O-C 3.21Å; Y318-R326 WeakPolarHBondContact O-CA 3.45Å; Y318-F327 PolarHBondContact N-O 3.5Å; Y318-F327 PolarHBondContact O-N 3.33Å; Y318-Q329 VanDerWaalsContact CD2-C 3.45Å; Y318-K330 HydrophobicContact CD1-CB 3.88Å; Y318-K330 HydrophobicContact CD1-CG 4.04Å; Y318-K330 HydrophobicContact CD2-CB 4.33Å; Y318-K330 HydrophobicContact CE1-CB 3.74Å; Y318-K330 HydrophobicContact CE1-CD 4.28Å; Y318-K330 HydrophobicContact CE1-CG 4.03Å; Y318-K330 HydrophobicContact CE2-CB 4.18Å; Y318-K330 HydrophobicContact CG-CB 4.18Å
319E88.8Confident81.4Confident34 Ų3460.4 Ų60.416%0.15930%0.302CS..EExtended strand (participates in β ladder)trans-116.3138.7-177.5-169.9167.612800111.1I262 Y263 I265 H324 R326I262-E319 CarbonylContact C-O 3.59Å; I262-E319 VanDerWaalsContact CA-O 3.3Å; I262-E319 WeakPolarHBondContact CA-O 3.5Å; Y263-E319 PolarHBondContact N-O 2.93Å; Y263-E319 PolarHBondContact O-N 3.04Å; I265-E319 HydrophobicContact CD1-CB 4.12Å; I265-E319 WeakPolarHBondContact CD1-OE2 3.4Å; I265-E319 HydrophobicContact CG1-CB 4.37Å; E319-H324 HydrophobicContact CG-CB 4.43Å; E319-H324 WeakPolarHBondContact OE1-CB 3.36Å; E319-H324 IonicContact OE1-CE1 3.88Å; E319-H324 IonicContact OE1-CG 3.48Å; E319-H324 IonicContact OE1-ND1 2.75Å; E319-H324 PolarHBondContact OE1-ND1 3.07Å; E319-R326 HydrophobicContact CB-CG 4.06Å; E319-R326 HydrophobicContact CG-CG 3.76Å; E319-R326 WeakPolarHBondContact OE2-CD 3.33Å; E319-R326 WeakPolarHBondContact OE2-CG 3.44Å; E319-R326 IonicContact OE2-NE 3.72Å
320C88.5Confident81.8Confident0 Ų062.4 Ų62.40%031%0.309CS..EExtended strand (participates in β ladder)trans-81.6122.4172.9-177.70000110.7L322 C323 H324 A325 F327 H336 V337C320-L322 PolarHBondContact O-N 3.28Å; C320-L322 VanDerWaalsContact O-N 3.15Å; C320-L322 PolarHBondContact SG-N 3.49Å; C320-C323 PolarHBondContact O-N 2.89Å; C320-H324 VanDerWaalsContact O-CA 3.27Å; C320-H324 WeakPolarHBondContact O-CA 3.35Å; C320-H324 PolarHBondContact O-N 3.35Å; C320-A325 PolarHBondContact N-O 3.03Å; C320-F327 HydrophobicContact CB-CE2 4.28Å; C320-H336 VanDerWaalsContact CB-CD2 3.42Å; C320-H336 WeakPolarHBondContact CB-CD2 3.47Å; C320-H336 WeakPolarHBondContact CB-NE2 3.3Å; C320-H336 VanDerWaalsContact SG-CD2 3.54Å; C320-H336 PolarHBondContact SG-NE2 3.05Å; C320-H336 VanDerWaalsContact SG-NE2 3.45Å; C320-V337 HydrophobicContact CB-CG2 4.43Å; C320-V337 VanDerWaalsContact SG-CG2 3.53Å
321V87.4Confident82.1Confident47 Ų4764.2 Ų64.229%0.28532%0.324SS..THydrogen-bonded Turntrans-61.7-24.4179.3-1800000112.5L261L261-V321 PolarHBondContact O-N 3.17Å; L261-V321 VanDerWaalsContact O-N 3.09Å
322L85Confident82.7Confident12 Ų1260.4 Ų60.46%0.06331%0.308CS..THydrogen-bonded Turntrans-86.3-13.5-174.9-57.8177000115A236 L261 C320 H340A236-L322 HydrophobicContact CB-CD2 3.92Å; L261-L322 HydrophobicContact CD1-CD1 4.33Å; L261-L322 HydrophobicContact CD2-CD1 4.47Å; L261-L322 HydrophobicContact CD2-CD2 4.07Å; L261-L322 HydrophobicContact CD2-CG 4.24Å; C320-L322 PolarHBondContact O-N 3.28Å; C320-L322 VanDerWaalsContact O-N 3.15Å; C320-L322 PolarHBondContact SG-N 3.49Å; L322-H340 HydrophobicContact CD1-CB 3.55Å
323C87.5Confident83.5Confident51 Ų5157 Ų5735%0.34529%0.292SS..THydrogen-bonded Turntrans-157.113.5175.972.70000115.4C320 A325 H336 H340C320-C323 PolarHBondContact O-N 2.89Å; C323-A325 PolarHBondContact O-N 3.3Å; C323-A325 VanDerWaalsContact SG-CB 3.55Å; C323-H336 PolarHBondContact SG-CE1 3.12Å; C323-H336 PolarHBondContact SG-NE2 3.12Å; C323-H340 PolarHBondContact SG-NE2 3.22Å
324H82.7Confident84.3Confident108 Ų10856.7 Ų56.750%0.529%0.285SS..  trans56.518.7-179.4-57.4-77.9000115.1E319 C320 R326E319-H324 HydrophobicContact CG-CB 4.43Å; E319-H324 WeakPolarHBondContact OE1-CB 3.36Å; E319-H324 IonicContact OE1-CE1 3.88Å; E319-H324 IonicContact OE1-CG 3.48Å; E319-H324 IonicContact OE1-ND1 2.75Å; E319-H324 PolarHBondContact OE1-ND1 3.07Å; C320-H324 VanDerWaalsContact O-CA 3.27Å; C320-H324 WeakPolarHBondContact O-CA 3.35Å; C320-H324 PolarHBondContact O-N 3.35Å; H324-R326 PolarHBondContact O-N 2.92Å; H324-R326 VanDerWaalsContact O-N 3.14Å
325A82.6Confident85.2Confident30 Ų3053 Ų5325%0.24828%0.277CS..  trans-66.3116.1174.200000110.2C320 C323 F327C320-A325 PolarHBondContact N-O 3.03Å; C323-A325 PolarHBondContact O-N 3.3Å; C323-A325 VanDerWaalsContact SG-CB 3.55Å; A325-F327 HydrophobicContact CB-CE2 3.64Å; A325-F327 HydrophobicContact CB-CZ 3.74Å; A325-F327 WeakPolarHBondContact O-CD2 3.37Å; A325-F327 WeakPolarHBondContact O-CE2 3.43Å
326R85.4Confident86.1Confident115 Ų11551.7 Ų51.743%0.43427%0.269SS..EExtended strand (participates in β ladder)trans-90.4132179.7-66175.674.9171.27.9112.1I265 K316 Y318 E319 H324I265-R326 HydrophobicContact CD1-CG 4.33Å; I265-R326 VanDerWaalsContact CD1-CZ 3.43Å; I265-R326 VanDerWaalsContact CD1-NH2 3.26Å; K316-R326 HydrophobicContact CB-CB 3.69Å; K316-R326 HydrophobicContact CD-CB 3.83Å; K316-R326 VanDerWaalsContact CD-O 3.26Å; K316-R326 WeakPolarHBondContact CD-O 3.13Å; K316-R326 VanDerWaalsContact CE-O 3.25Å; K316-R326 WeakPolarHBondContact CE-O 3.24Å; K316-R326 HydrophobicContact CG-CB 4.37Å; K316-R326 PolarHBondContact NZ-O 3.3Å; Y318-R326 CarbonylContact O-C 3.21Å; Y318-R326 WeakPolarHBondContact O-CA 3.45Å; E319-R326 HydrophobicContact CB-CG 4.06Å; E319-R326 HydrophobicContact CG-CG 3.76Å; E319-R326 WeakPolarHBondContact OE2-CD 3.33Å; E319-R326 WeakPolarHBondContact OE2-CG 3.44Å; E319-R326 IonicContact OE2-NE 3.72Å; H324-R326 PolarHBondContact O-N 2.92Å; H324-R326 VanDerWaalsContact O-N 3.14Å
327F87.4Confident86.4Confident38 Ų3847 Ų4717%0.16725%0.248CC..EExtended strand (participates in β ladder)trans-126.1151.5-175.2-59.7-82.5000112.1K316 S317 Y318 C320 A325 A333 H336K316-F327 CarbonylContact C-O 3.59Å; K316-F327 VanDerWaalsContact C-O 3.28Å; K316-F327 VanDerWaalsContact CA-O 3.3Å; K316-F327 WeakPolarHBondContact CA-O 3.4Å; S317-F327 PolarHBondContact N-O 3.09Å; Y318-F327 PolarHBondContact N-O 3.5Å; Y318-F327 PolarHBondContact O-N 3.33Å; C320-F327 HydrophobicContact CB-CE2 4.28Å; A325-F327 HydrophobicContact CB-CE2 3.64Å; A325-F327 HydrophobicContact CB-CZ 3.74Å; A325-F327 WeakPolarHBondContact O-CD2 3.37Å; A325-F327 WeakPolarHBondContact O-CE2 3.43Å; F327-A333 HydrophobicContact CB-CB 4.25Å; F327-A333 HydrophobicContact CD2-CB 3.63Å; F327-A333 HydrophobicContact CE2-CB 4.32Å; F327-A333 HydrophobicContact CG-CB 4.08Å; F327-H336 HydrophobicContact CE1-CB 4.06Å; F327-H336 HydrophobicContact CE2-CB 3.97Å; F327-H336 AromaticContact CE2-CD2 3.47Å; F327-H336 VanDerWaalsContact CE2-CD2 3.47Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.49Å; F327-H336 AromaticContact CE2-CG 3.71Å; F327-H336 HydrophobicContact CZ-CB 3.44Å; F327-H336 VanDerWaalsContact CZ-CB 3.44Å; F327-H336 AromaticContact CZ-CD2 3.53Å; F327-H336 AromaticContact CZ-CG 3.27Å; F327-H336 AromaticContact CZ-ND1 3.77Å
328T82.8Confident86.7Confident52 Ų5249.8 Ų49.832%0.31926%0.261SS..SBendtrans-84.9-8.7175.5560000113.9K316K316-T328 HydrophobicContact CG-CG2 3.91Å
329Q83.9Confident86.5Confident70 Ų7051 Ų5133%0.32727%0.27SS..SBendtrans-143.4133.4-176.8-66.3175.252.800111Y318 S331 S332 A333Y318-Q329 VanDerWaalsContact CD2-C 3.45Å; Q329-S331 PolarHBondContact O-N 2.96Å; Q329-S332 WeakPolarHBondContact O-CB 3.45Å; Q329-S332 PolarHBondContact O-N 3.26Å; Q329-A333 PolarHBondContact O-N 3.43Å
330K87Confident86.3Confident72 Ų7251.8 Ų51.831%0.31327%0.274SS..Hα-helixtrans-54.9-34.2175.8-161.3179.4-167.1-172.40112.4D259 I262 Y318 A333 K334D259-K330 VanDerWaalsContact CG-CE 3.42Å; D259-K330 WeakPolarHBondContact OD1-CE 3.19Å; D259-K330 IonicContact OD1-NZ 3.72Å; D259-K330 PolarHBondContact OD1-NZ 2.75Å; D259-K330 IonicContact OD2-NZ 3.13Å; D259-K330 PolarHBondContact OD2-NZ 2.9Å; I262-K330 HydrophobicContact CD1-CG 4.36Å; I262-K330 HydrophobicContact CG2-CG 4.46Å; Y318-K330 HydrophobicContact CD1-CB 3.88Å; Y318-K330 HydrophobicContact CD1-CG 4.04Å; Y318-K330 HydrophobicContact CD2-CB 4.33Å; Y318-K330 HydrophobicContact CE1-CB 3.74Å; Y318-K330 HydrophobicContact CE1-CD 4.28Å; Y318-K330 HydrophobicContact CE1-CG 4.03Å; Y318-K330 HydrophobicContact CE2-CB 4.18Å; Y318-K330 HydrophobicContact CG-CB 4.18Å; K330-A333 PolarHBondContact O-N 3.25Å; K330-K334 WeakPolarHBondContact O-CG 3.4Å; K330-K334 PolarHBondContact O-N 3.14Å
331S85Confident85.9Confident68 Ų6853.6 Ų53.648%0.47628%0.283SS..Hα-helixtrans-62.4-43.4175.6490000113.1Q329 K334 T335Q329-S331 PolarHBondContact O-N 2.96Å; S331-K334 PolarHBondContact O-N 3.17Å; S331-T335 PolarHBondContact O-N 2.82Å; S331-T335 PolarHBondContact O-OG1 3.43Å; S331-T335 VanDerWaalsContact O-OG1 3.04Å
332S88.7Confident85.3Confident40 Ų4054.7 Ų54.728%0.2829%0.293SS..Hα-helixtrans-63.2-45.1175.7-59.70000110.9Q329 T335 H336Q329-S332 WeakPolarHBondContact O-CB 3.45Å; Q329-S332 PolarHBondContact O-N 3.26Å; S332-T335 WeakPolarHBondContact CA-OG1 3.43Å; S332-T335 PolarHBondContact O-N 3.17Å; S332-T335 PolarHBondContact O-OG1 2.87Å; S332-H336 WeakPolarHBondContact O-CB 3.36Å; S332-H336 PolarHBondContact O-N 3.03Å
333A89.8Confident84.4Confident0 Ų057.4 Ų57.40%032%0.317CS..Hα-helixtrans-59-46.4174.500000111.9I262 F327 Q329 K330 T335 H336 V337I262-A333 HydrophobicContact CD1-CB 3.87Å; I262-A333 HydrophobicContact CG1-CB 4.02Å; I262-A333 HydrophobicContact CG2-CB 3.76Å; F327-A333 HydrophobicContact CB-CB 4.25Å; F327-A333 HydrophobicContact CD2-CB 3.63Å; F327-A333 HydrophobicContact CE2-CB 4.32Å; F327-A333 HydrophobicContact CG-CB 4.08Å; Q329-A333 PolarHBondContact O-N 3.43Å; K330-A333 PolarHBondContact O-N 3.25Å; A333-T335 PolarHBondContact O-N 3Å; A333-H336 CarbonylContact O-C 3.53Å; A333-H336 PolarHBondContact O-N 3.19Å; A333-V337 WeakPolarHBondContact O-CG2 3.18Å; A333-V337 PolarHBondContact O-N 2.81Å
334K90Very high82.9Confident55 Ų5559.5 Ų59.524%0.23932%0.324CS..Hα-helixtrans-56.6-47.2173.7-74.7-175.4-168.4-115.20112.4L258 D259 I262 K330 S331 H336 V337 L338L258-K334 HydrophobicContact CD2-CB 4.37Å; D259-K334 WeakPolarHBondContact OD1-CE 3.45Å; D259-K334 IonicContact OD1-NZ 3.7Å; D259-K334 PolarHBondContact OD1-NZ 3.34Å; D259-K334 IonicContact OD2-NZ 2.6Å; D259-K334 PolarHBondContact OD2-NZ 3.11Å; D259-K334 VanDerWaalsContact OD2-NZ 3.13Å; I262-K334 HydrophobicContact CD1-CB 4.17Å; I262-K334 HydrophobicContact CD1-CG 3.44Å; I262-K334 VanDerWaalsContact CD1-CG 3.44Å; K330-K334 WeakPolarHBondContact O-CG 3.4Å; K330-K334 PolarHBondContact O-N 3.14Å; S331-K334 PolarHBondContact O-N 3.17Å; K334-H336 PolarHBondContact O-N 3.13Å; K334-V337 PolarHBondContact O-N 3.21Å; K334-L338 WeakPolarHBondContact O-CB 3.39Å; K334-L338 WeakPolarHBondContact O-CG 3.28Å; K334-L338 PolarHBondContact O-N 3.39Å
335T86.8Confident80.9Confident91 Ų9160.4 Ų60.456%0.55833%0.333SS*.Hα-helixtrans-64.3-27.4176.936.20000113.5S331 S332 A333S331-T335 PolarHBondContact O-N 2.82Å; S331-T335 PolarHBondContact O-OG1 3.43Å; S331-T335 VanDerWaalsContact O-OG1 3.04Å; S332-T335 WeakPolarHBondContact CA-OG1 3.43Å; S332-T335 PolarHBondContact O-N 3.17Å; S332-T335 PolarHBondContact O-OG1 2.87Å; A333-T335 PolarHBondContact O-N 3Å
336H88.1Confident78.3Confident33 Ų3365.5 Ų65.515%0.15336%0.355CS..Hα-helixtrans-81.1-42.5176.9161.983.1000112.4C320 C323 F327 S332 A333 K334 L338 L339 H340C320-H336 VanDerWaalsContact CB-CD2 3.42Å; C320-H336 WeakPolarHBondContact CB-CD2 3.47Å; C320-H336 WeakPolarHBondContact CB-NE2 3.3Å; C320-H336 VanDerWaalsContact SG-CD2 3.54Å; C320-H336 PolarHBondContact SG-NE2 3.05Å; C320-H336 VanDerWaalsContact SG-NE2 3.45Å; C323-H336 PolarHBondContact SG-CE1 3.12Å; C323-H336 PolarHBondContact SG-NE2 3.12Å; F327-H336 HydrophobicContact CE1-CB 4.06Å; F327-H336 HydrophobicContact CE2-CB 3.97Å; F327-H336 AromaticContact CE2-CD2 3.47Å; F327-H336 VanDerWaalsContact CE2-CD2 3.47Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.49Å; F327-H336 AromaticContact CE2-CG 3.71Å; F327-H336 HydrophobicContact CZ-CB 3.44Å; F327-H336 VanDerWaalsContact CZ-CB 3.44Å; F327-H336 AromaticContact CZ-CD2 3.53Å; F327-H336 AromaticContact CZ-CG 3.27Å; F327-H336 AromaticContact CZ-ND1 3.77Å; S332-H336 WeakPolarHBondContact O-CB 3.36Å; S332-H336 PolarHBondContact O-N 3.03Å; A333-H336 CarbonylContact O-C 3.53Å; A333-H336 PolarHBondContact O-N 3.19Å; K334-H336 PolarHBondContact O-N 3.13Å; H336-L338 PolarHBondContact O-N 3.3Å; H336-L339 WeakPolarHBondContact O-CA 3.45Å; H336-L339 VanDerWaalsContact O-CB 3.28Å; H336-L339 WeakPolarHBondContact O-CB 3.41Å; H336-L339 PolarHBondContact O-N 3.12Å; H336-H340 AromaticContact CE1-CD2 3.77Å; H336-H340 AromaticContact CE1-NE2 3.31Å; H336-H340 PolarHBondContact CE1-NE2 3.01Å; H336-H340 VanDerWaalsContact CE1-NE2 3.31Å; H336-H340 AromaticContact NE2-CD2 3.61Å; H336-H340 AromaticContact NE2-NE2 3.31Å; H336-H340 PolarHBondContact NE2-NE2 3.21Å; H336-H340 PolarHBondContact O-N 3.28Å
337V88.4Confident75.5Confident0 Ų068.1 Ų68.10%037%0.372CS..Hα-helixtrans-55.4-40.9169.8168.60000110.8L258 L261 I262 C320 A333 K334 L339 H340 I341L258-V337 HydrophobicContact CG-CG1 4.46Å; L261-V337 HydrophobicContact CB-CG1 3.79Å; L261-V337 HydrophobicContact CB-CG2 4.08Å; L261-V337 HydrophobicContact CD1-CG1 3.63Å; L261-V337 HydrophobicContact CG-CG1 4.38Å; I262-V337 HydrophobicContact CD1-CG2 4.46Å; I262-V337 HydrophobicContact CG1-CG2 3.86Å; C320-V337 HydrophobicContact CB-CG2 4.43Å; C320-V337 VanDerWaalsContact SG-CG2 3.53Å; A333-V337 WeakPolarHBondContact O-CG2 3.18Å; A333-V337 PolarHBondContact O-N 2.81Å; K334-V337 PolarHBondContact O-N 3.21Å; V337-L339 PolarHBondContact O-N 2.85Å; V337-H340 WeakPolarHBondContact O-CB 3.46Å; V337-H340 PolarHBondContact O-N 3.09Å; V337-H340 VanDerWaalsContact O-N 3.1Å; V337-I341 HydrophobicContact CG1-CD1 3.91Å; V337-I341 HydrophobicContact CG1-CG1 4.46Å; V337-I341 PolarHBondContact O-N 3.4Å
338L87.5Confident72.7Confident83 Ų8372 Ų7244%0.43540%0.401SS..Hα-helixtrans-60.3-26.4173.5-78.5170.4000113.8L258 K334 H336 S342L258-L338 HydrophobicContact CD1-CD2 4.45Å; L258-L338 HydrophobicContact CD2-CD1 4.04Å; L258-L338 HydrophobicContact CD2-CD2 3.92Å; L258-L338 HydrophobicContact CD2-CG 3.74Å; K334-L338 WeakPolarHBondContact O-CB 3.39Å; K334-L338 WeakPolarHBondContact O-CG 3.28Å; K334-L338 PolarHBondContact O-N 3.39Å; H336-L338 PolarHBondContact O-N 3.3Å; L338-S342 WeakPolarHBondContact O-CB 3.16Å; L338-S342 PolarHBondContact O-N 2.86Å; L338-S342 PolarHBondContact O-OG 2.97Å
339L84Confident69.9Low72 Ų7275.9 Ų75.938%0.37742%0.42SS..Hα-helixtrans-71-42.5173.6-64.2171.7000111H336 V337 S342 A343 F616H336-L339 WeakPolarHBondContact O-CA 3.45Å; H336-L339 VanDerWaalsContact O-CB 3.28Å; H336-L339 WeakPolarHBondContact O-CB 3.41Å; H336-L339 PolarHBondContact O-N 3.12Å; V337-L339 PolarHBondContact O-N 2.85Å; L339-S342 WeakPolarHBondContact CA-OG 3.37Å; L339-S342 PolarHBondContact O-N 3.05Å; L339-S342 PolarHBondContact O-OG 3.22Å; L339-A343 PolarHBondContact O-N 3.05Å; L339-F616 HydrophobicContact CD2-CE1 4.11Å
340H83.3Confident67.1Low51 Ų5182.8 Ų82.824%0.23644%0.444CS..Hα-helixtrans-58.5-51.6173.2-75.1-85.9000111.5L322 C323 H336 V337 S342 A343 L344L322-H340 HydrophobicContact CD1-CB 3.55Å; C323-H340 PolarHBondContact SG-NE2 3.22Å; H336-H340 AromaticContact CE1-CD2 3.77Å; H336-H340 AromaticContact CE1-NE2 3.31Å; H336-H340 PolarHBondContact CE1-NE2 3.01Å; H336-H340 VanDerWaalsContact CE1-NE2 3.31Å; H336-H340 AromaticContact NE2-CD2 3.61Å; H336-H340 AromaticContact NE2-NE2 3.31Å; H336-H340 PolarHBondContact NE2-NE2 3.21Å; H336-H340 PolarHBondContact O-N 3.28Å; V337-H340 WeakPolarHBondContact O-CB 3.46Å; V337-H340 PolarHBondContact O-N 3.09Å; V337-H340 VanDerWaalsContact O-N 3.1Å; H340-S342 VanDerWaalsContact C-N 3.29Å; H340-S342 PolarHBondContact O-N 3.34Å; H340-A343 WeakPolarHBondContact O-CB 3.44Å; H340-A343 PolarHBondContact O-N 3.06Å; H340-L344 PolarHBondContact O-N 2.86Å
341I81.4Confident64.4Low37 Ų3789 Ų8919%0.1947%0.474CS..Hα-helixtrans-59.8-40.8178.1-60.5169.2000110.8L258 L261 V337 A343 L344 N345L258-I341 HydrophobicContact CD1-CD1 4.31Å; L261-I341 HydrophobicContact CD1-CD1 4.28Å; V337-I341 HydrophobicContact CG1-CD1 3.91Å; V337-I341 HydrophobicContact CG1-CG1 4.46Å; V337-I341 PolarHBondContact O-N 3.4Å; I341-A343 VanDerWaalsContact C-N 3.26Å; I341-A343 PolarHBondContact O-N 3.41Å; I341-L344 PolarHBondContact O-N 3.11Å; I341-N345 PolarHBondContact O-N 3.19Å
342S74.1Confident61.5Low71 Ų7189.7 Ų89.750%0.49748%0.479SS..Hα-helixtrans-69.5-19.417874.50000114.7L338 L339 H340L338-S342 WeakPolarHBondContact O-CB 3.16Å; L338-S342 PolarHBondContact O-N 2.86Å; L338-S342 PolarHBondContact O-OG 2.97Å; L339-S342 WeakPolarHBondContact CA-OG 3.37Å; L339-S342 PolarHBondContact O-N 3.05Å; L339-S342 PolarHBondContact O-OG 3.22Å; H340-S342 VanDerWaalsContact C-N 3.29Å; H340-S342 PolarHBondContact O-N 3.34Å
343A66.4Low58.5Low68 Ų6893.6 Ų93.656%0.56250%0.502SS*.Hα-helixtrans-83.2-21.7176.200000112.5L339 H340 I341L339-A343 PolarHBondContact O-N 3.05Å; H340-A343 WeakPolarHBondContact O-CB 3.44Å; H340-A343 PolarHBondContact O-N 3.06Å; I341-A343 VanDerWaalsContact C-N 3.26Å; I341-A343 PolarHBondContact O-N 3.41Å
344L56.8Low55.4Low96 Ų96101.5 Ų101.550%0.50354%0.539SS..Hα-helixtrans-86.9-32.4179.1-66169.3000112.9L240 H340 I341 L346L240-L344 HydrophobicContact CD1-CD1 3.2Å; H340-L344 PolarHBondContact O-N 2.86Å; I341-L344 PolarHBondContact O-N 3.11Å; L344-L346 PolarHBondContact O-N 3.2Å
345N38.9Very low52.5Low127 Ų127106.1 Ų106.168%0.67957%0.566SS**  trans-79.347.9-179.3-70-11.9000113.4I341I341-N345 PolarHBondContact O-N 3.19Å
346L29Very low49.5Very low136 Ų136104.8 Ų104.871%0.71257%0.57SS**  trans-115.648.9177.6-92.9167.7000111.9L344L344-L346 PolarHBondContact O-N 3.2Å
347H25.8Very low46.6Very low170 Ų170109.3 Ų109.379%0.78760%0.6SS**  trans-163.9113.6153.7-105.6-77.9000109.8
348P30.2Very low43.4Very low121 Ų121115.9 Ų115.979%0.78664%0.635SS**  trans-142.876.5152.136.4-17.8000110.7
349D23.7Very low40.4Very low133 Ų133117.1 Ų117.171%0.71165%0.651SS**  trans-119.6144.8160.6-70.7-52.8000106.2
350Y24.2Very low37.6Very low214 Ų214119.6 Ų119.684%0.83967%0.674SS**  trans72.788.7-165.8-65.4-91.1000116.4
351H30.3Very low34.7Very low202 Ų202124.8 Ų124.894%0.93570%0.703SS**  -147.4125.1103.1-98.9-77.8000108.7
352S24.4Very low32.5Very low84 Ų84128 Ų12859%0.58773%0.727SS**  trans-104.4156.5-179.447.90000110.3
353T25.4Very low30Very low122 Ų122131.5 Ų131.575%0.74874%0.738SS**  trans45.6124.1140.7580000117.7
354E25.7Very low27.9Very low166 Ų166136 Ų13678%0.77675%0.752SS**  cis-156.2-179.140.4-68.9-171.9136.900113.3
355N27.6Very low26.1Very low152 Ų152136.9 Ų136.981%0.81376%0.761SS**  trans-2.8149.3146.7-43.4-31.5000117.5
356G24.5Very low25.4Very low63 Ų63136.3 Ų136.365%0.64976%0.762SS**  cis147.5140.610.500000109.4
357T26.5Very low25Very low127 Ų127136.2 Ų136.278%0.77976%0.762SS**  trans52.9117.6166.448.50000120.8
358D22.6Very low24.9Very low138 Ų138134 Ų13474%0.73876%0.756SS**  72.999.4126.7-52.9-21.5000122.4
359S23.6Very low24.5Very low110 Ų110136 Ų13677%0.76976%0.755SS**  67.8146.6125690000122.8
360S26.1Very low24.4Very low124 Ų124134.8 Ų134.887%0.86776%0.757SS**  trans98138.5166.675.60000118.3
361L22.6Very low24.3Very low159 Ų159132.4 Ų132.483%0.83275%0.753SS**  trans-85-171.9-179-70.5155.6000109.2
362P34.9Very low23.8Very low106 Ų106128.7 Ų128.769%0.68874%0.741SS**  cis-136.7169.92.225.7-0.3000117.2
363I21.1Very low23.7Very low144 Ų144130 Ų13074%0.73875%0.75SS**  trans18.3123.4131.7-49.2158.7000117.5
364L21.3Very low23.7Very low163 Ų163130.2 Ų130.285%0.85375%0.751SS**  -161.3153.8117-105.7169.7000113.5
365T20.7Very low23.6Very low114 Ų114126 Ų12670%0.69974%0.744SS**  trans-104.3-178.6-17739.40000111.2
366V22.4Very low23.5Very low114 Ų114125 Ų12569%0.69174%0.739SS**  trans103.2105.1156.7-173.80000117.1
367N22.5Very low23.4Very low135 Ų135132.8 Ų132.872%0.72275%0.749SS**  trans54.1137.6132.9-53.40.2000124.4
368N22.5Very low23Very low122 Ų122134.4 Ų134.465%0.65275%0.752SS**  trans53.8120.4133.8-67.534.8000122.5
369E21Very low23.1Very low164 Ų164133.9 Ų133.977%0.76676%0.756SS**  62.6131.9123.2-60.5176.2138.200121.5
370S22.7Very low23Very low108 Ų108132.9 Ų132.976%0.75575%0.749SS**  trans90.7152.4143.881.50000120
371Q20.9Very low22.8Very low163 Ų163134.6 Ų134.676%0.76275%0.747SS**  trans81108.9159.9-65.6-167.8-42.700121.3
372D21.8Very low22.8Very low125 Ų125133.7 Ų133.767%0.66874%0.743SS**  83.4108.6114.7-59.9-16.2000122.6
373S22.1Very low22.3Very low111 Ų111133.1 Ų133.178%0.77674%0.742SS**  97.7165.511678.20000121.2
374V25.2Very low22.7Very low127 Ų127135.4 Ų135.477%0.7775%0.749SS**  trans86.481171.2-162.60000118.4
375A22.5Very low22.7Very low77 Ų77133.1 Ų133.164%0.63674%0.742SS**  50122.4128.200000121.9
376N25.3Very low22.9Very low132 Ų132134.6 Ų134.671%0.70675%0.745SS**  -176.5137.596-102.3-78.1000114.8
377R23.6Very low22.9Very low226 Ų226133.7 Ų133.785%0.85374%0.744SS**  trans64.6106.7150.2-60.5174.6-167.8-144.1-0.2120.7
378L18.5Very low23Very low160 Ų160130.4 Ų130.484%0.83874%0.742SS**  trans-66.1157.4142.9-87.279000110.3
379P24.2Very low23Very low127 Ų127131.8 Ų131.883%0.82575%0.748SS**  -131155.29837.9-30.8000114.7
380S20.9Very low22.9Very low89 Ų89131.4 Ų131.462%0.62275%0.746SS**  trans-73151.616950.30000113.3
381L23.1Very low22.8Very low160 Ų160134.5 Ų134.584%0.83875%0.746SS**  -168.1169.6109.3-133.574.8000112.5
382D21.9Very low22.8Very low140 Ų140134.8 Ų134.875%0.74975%0.752SS**  trans-86.5174.8-156.1-70.5-73.8000118.2
383S23.3Very low22.7Very low94 Ų94133.8 Ų133.866%0.65775%0.751SS**  trans-35.3144.3163.358.40000115.7
384H29.4Very low22.9Very low193 Ų193137.7 Ų137.789%0.89475%0.754SS**  trans-140.2124.8139.9-105.2-71.7000112.7
385V21.7Very low22.9Very low115 Ų115137.4 Ų137.470%0.69776%0.755SS**  trans-78.9139.1164.1172.50000108.8
386N24.9Very low22.9Very low145 Ų145140.5 Ų140.578%0.77576%0.761SS**  trans-174.8121145.3-90.3-26.7000106.5
387S22.7Very low22.8Very low94 Ų94141.6 Ų141.666%0.65777%0.767SS**  cis57.486.94379.20000114.7
388G24.7Very low22.7Very low67 Ų67138 Ų13869%0.69176%0.764SS**  trans-134.2103.6153.100000106.9
389I22.2Very low22.9Very low150 Ų150137.8 Ų137.877%0.76976%0.764SS**  64.28786.2-62168.5000108.4
390Q20.3Very low22.8Very low156 Ų156137.5 Ų137.573%0.72976%0.76SS**  94.1139.878.7-92.3-171.1-1300112.5
391F19.6Very low23Very low174 Ų174141.3 Ų141.376%0.76377%0.772SS**  trans17129.3159.8-55.8-80.3000119.9
392L20Very low22.9Very low169 Ų169140.7 Ų140.789%0.88577%0.77SS**  -168.3157.394.4-99.3165.5000113.5
393T19.8Very low23.1Very low103 Ų103140.5 Ų140.563%0.63278%0.778SS**  trans-106.5144.3-175.444.50000112.1
394F26.3Very low23.2Very low193 Ų193142 Ų14285%0.84678%0.783SS**  trans61.5149167.7-60.6-69.6000116.9
395P25.6Very low23.1Very low121 Ų121139 Ų13979%0.78678%0.779SS**  -136.8136.899.135.1-22.6000114.1
396N22.5Very low23.3Very low142 Ų142141.4 Ų141.476%0.75979%0.787SS**  -83.3143.2130-83.7-15.2000106.1
397D23.9Very low23.6Very low156 Ų156139.4 Ų139.483%0.83478%0.782SS**  176.7160.1121.7-86.8-21.8000110.9
398N20.9Very low23.8Very low151 Ų151143.8 Ų143.881%0.80779%0.791SS**  trans-74.9146.3169.8-58.6-59.3000109.3
399D22.7Very low23.9Very low155 Ų155147.3 Ų147.383%0.82980%0.795SS**  -171.3166121.1-102.4-22.5000115.3
400T22.2Very low24Very low121 Ų121145.1 Ų145.174%0.74279%0.793SS**  trans-49.5150.4-177.753.70000118
401L25.4Very low24.3Very low168 Ų168144.1 Ų144.188%0.8880%0.797SS**  trans-164.9162.3140.5-109.7166000114
402N21.4Very low24.5Very low148 Ų148142.4 Ų142.479%0.79180%0.8SS**  trans-88.4159-164.3-63.3-49.8000116
403C26.2Very low24.7Very low136 Ų136140.8 Ų140.892%0.91979%0.792SS**  trans-163.4161.9142.6-100.20000112.8
404T24.4Very low24.9Very low124 Ų124143.2 Ų143.276%0.76180%0.796SS**  trans-123.4171.8-161.943.60000115
405T28Very low24.7Very low130 Ų130139.5 Ų139.580%0.79879%0.794SS**  trans75.3138.9173.275.30000115.9
406L26.1Very low24.6Very low167 Ų167142.8 Ų142.887%0.87480%0.796SS**  cis-138.1171.31.3-105.1134.9000109.2
407P31.8Very low24.8Very low102 Ų102143.2 Ų143.266%0.66280%0.797SS**  trans-102.2145.2-170.537.2-30.1000115.6
408H26.6Very low25Very low186 Ų186140.9 Ų140.986%0.86179%0.79SS**  trans-161.8106.8136.8-109.2-74.7000110.3
409N26.6Very low25.1Very low142 Ų142145.5 Ų145.576%0.75980%0.797SS**  trans20.3105.1165.8-63.70.5000120.9
410S24.3Very low25.3Very low104 Ų104148.7 Ų148.773%0.72780%0.798SS**  45.8107.7127.3660000120.2
411V27.1Very low25.3Very low134 Ų134151.8 Ų151.881%0.81280%0.804SS**  167129.2106.4159.10000108.8
412V22.4Very low25.3Very low138 Ų138148 Ų14884%0.83680%0.798SS**  trans-87.5132.5168.4171.50000108.9
413L24.7Very low25.3Very low136 Ų136145.6 Ų145.671%0.71280%0.798SS**  trans-165.7123.3146.4-109162.9000113.6
414Q23.4Very low25.2Very low153 Ų153148.3 Ų148.372%0.71580%0.797SS**  trans35.8141152-78.7176.3-13.900123.6F416Q414-F416 PolarHBondContact O-N 3.41Å
415S22.5Very low25.2Very low115 Ų115149.3 Ų149.380%0.80480%0.797SS**  trans-55.4114163.4520000113.6
416F23.8Very low24.9Very low190 Ų190150 Ų15083%0.83380%0.797SS**  trans-92121.9167.8-87.7-94.5000111.8Q414Q414-F416 PolarHBondContact O-N 3.41Å
417I26Very low24.8Very low152 Ų152148.4 Ų148.478%0.77979%0.788SS**  trans-106.1131.5161.6-67.1178.3000106.6R419I417-R419 PolarHBondContact O-N 3.47Å
418P27.9Very low24.3Very low107 Ų107149.4 Ų149.470%0.69579%0.788SS**  trans-83126.8-148.628.8-34000114
419R23.8Very low24Very low248 Ų248151 Ų15194%0.93679%0.786SS**  trans-104.3110.4156.2-75-177.2174.1178.2-1.4108.4I417I417-R419 PolarHBondContact O-N 3.47Å
420Y26.9Very low23.9Very low221 Ų221151.5 Ų151.587%0.86779%0.787SS**  trans-94.1124.5164-96.1-90.1000108.7
421H22.9Very low23.8Very low186 Ų186156.2 Ų156.286%0.86179%0.789SS**  trans-146.4144.5170.1-123.4-83.3000110.4
422A23.9Very low23.6Very low90 Ų90156 Ų15674%0.74479%0.789SS**  trans74.5132.1162.600000120.2
423A23.2Very low23.7Very low96 Ų96155.1 Ų155.179%0.79378%0.779SS**  trans58.7114.715000000120
424E23.8Very low23.6Very low193 Ų193157.1 Ų157.190%0.90278%0.784SS**  -156.5141.994.6-108.5175.8-173.300112
425N22.8Very low23.6Very low145 Ų145153.1 Ų153.178%0.77578%0.778SS**  trans-76.2140.5160.7-71.6-48.3000107.7
426N23Very low23.6Very low146 Ų146154 Ų15478%0.78177%0.773SS**  178.3155.6115.1-100.9-46.4000116.8
427L23.8Very low23.7Very low133 Ų133151.8 Ų151.870%0.69677%0.765SS**  trans65.796.6144.9-68.8165.2000120.9
428N21.3Very low23.5Very low123 Ų123150.6 Ų150.666%0.65876%0.761SS**  67.7126.8109.9-87.5-17.7000122.2
429R20Very low23.5Very low219 Ų219153.7 Ų153.783%0.82677%0.77SS**  trans55.2132.2132.6-64.6176.9168.9-172.2-4.4118.6
430I25.2Very low23.4Very low152 Ų152147.9 Ų147.978%0.77976%0.762SS**  -169.7135.6106.9-97.7155.9000112.2
431R22.2Very low23.7Very low203 Ų203143.4 Ų143.477%0.76676%0.76SS**  trans48.5109.5156.5-71.2177.3-1791450122
432T21.9Very low24.2Very low131 Ų131139.8 Ų139.880%0.80475%0.753SS**  -50.5148.4123.848.30000112.6
433D25.5Very low24.3Very low119 Ų119142.2 Ų142.264%0.63676%0.758SS**  trans-153.2130147.2-82.7-42.9000109.8
434H22.4Very low24.3Very low177 Ų177142.5 Ų142.582%0.81975%0.754SS**  trans27.2154.2133.3-60.5-72.1000121.7
435A22Very low24.1Very low70 Ų70141.1 Ų141.158%0.57975%0.753SS**  cis173.2-166.1-14.100000106
436D24.2Very low24.2Very low133 Ų133139.2 Ų139.271%0.71175%0.752SS**  trans87.9101.1151.9-59.4-5.3000122.2
437H24.8Very low24.1Very low144 Ų144139 Ų13967%0.66775%0.75SS**  87.7116117.1-72.9-51.1000123.9
438N22.2Very low24Very low127 Ų127140.8 Ų140.868%0.67976%0.76SS**  67117.3128.3-52.2-11.3000120.5
439L28.5Very low24Very low172 Ų172138.3 Ų138.390%0.90176%0.763SS**  179.215495.7-90.6170.6000112
440V22.1Very low24.2Very low126 Ų126135.9 Ų135.976%0.76476%0.763SS**  trans-128.4139.1-175.5167.10000108.2
441P31.9Very low24.2Very low126 Ų126135.1 Ų135.182%0.81876%0.761SS**  -141.1168.4111.921.70.5000115.3
442P33.4Very low24.4Very low110 Ų110131.5 Ų131.571%0.71477%0.765SS**  trans-117169.4-16242.3-32.4000115.6
443V26.6Very low25Very low141 Ų141130.8 Ų130.886%0.85577%0.766SS**  trans-140.9145.4147.4-177.90000109.4
444S23Very low25.3Very low102 Ų102135 Ų13571%0.71377%0.774SS**  trans-57.1147.6-175.439.20000115.2
445N19.2Very low26.3Very low164 Ų164130.9 Ų130.988%0.87776%0.763SS**  69.997.750.4-11012.8000115.5
446S24.2Very low27.3Very low106 Ų106135 Ų13574%0.74177%0.77SS**  trans-168.6118.2140.558.80000112.5
447N22Very low29.4Very low141 Ų141132.7 Ų132.775%0.75476%0.757SS**  trans61.5111.8151.7-54-14.8000119.1
448L22.1Very low32Very low170 Ų170129.5 Ų129.589%0.8974%0.741SS**  70.4121.863.9-69.5165000113.4
449G20.8Very low34.5Very low71 Ų71126.2 Ų126.273%0.73273%0.728SS**  trans147.487.116400000117
450M23.9Very low37.1Very low168 Ų168118 Ų11883%0.82869%0.685SS**  trans60.8124143-57.8-51.1-171.600123
451D25.5Very low39.7Very low136 Ų136116.3 Ų116.373%0.72768%0.676SS**  trans71.376.8131.5-57.6-14.1000120.4S453D451-S453 VanDerWaalsContact C-N 3.3Å; D451-S453 PolarHBondContact O-N 3.35Å
452C26.4Very low41.8Very low128 Ų128114.1 Ų114.187%0.86566%0.66SS**  trans-55.390.3145.3-71.20000111.5Y454C452-Y454 PolarHBondContact O-N 3.29Å
453S33.4Very low44.5Very low116 Ų116111 Ų11181%0.81164%0.641SS**  trans-60105.1168.528.80000110.4D451D451-S453 VanDerWaalsContact C-N 3.3Å; D451-S453 PolarHBondContact O-N 3.35Å
454Y32.6Very low46.8Very low206 Ų206113 Ų11381%0.80863%0.634SS**  trans-59.2128.1-174.1-123.6-98.7000111.1C452 Q456C452-Y454 PolarHBondContact O-N 3.29Å; Y454-Q456 PolarHBondContact O-N 3.31Å
455P43.7Very low49.7Very low91 Ų91114.7 Ų114.759%0.59163%0.629SS**  trans-68.3121.3-176.526.1-33.6000110.8M457P455-M457 PolarHBondContact O-N 3.46Å
456Q43.6Very low52.6Low156 Ų156115.2 Ų115.273%0.72962%0.618SS**  trans-48.1107.6178.1-77.5-176.3-14.800111.5Y454 F458Y454-Q456 PolarHBondContact O-N 3.31Å; Q456-F458 WeakPolarHBondContact O-CD2 3.48Å; Q456-F458 WeakPolarHBondContact O-CE2 3.29Å; Q456-F458 PolarHBondContact O-N 3.31Å
457M68Low55.6Low86 Ų86112.1 Ų112.142%0.42459%0.592SS.*  trans-83116.9178.1-63.6-166.488.300110.1P455 S459 R466P455-M457 PolarHBondContact O-N 3.46Å; M457-S459 PolarHBondContact O-N 2.82Å; M457-R466 HydrophobicContact CB-CB 4.35Å; M457-R466 HydrophobicContact CE-CB 3.83Å; M457-R466 HydrophobicContact SD-CB 4.42Å
458F78.2Confident58.3Low77 Ų77112.9 Ų112.934%0.33859%0.591SS.*EExtended strand (participates in β ladder)trans-79.9104179.6-62.3-85.4000110.7Q456 F467 L473Q456-F458 WeakPolarHBondContact O-CD2 3.48Å; Q456-F458 WeakPolarHBondContact O-CE2 3.29Å; Q456-F458 PolarHBondContact O-N 3.31Å; F458-F467 PolarHBondContact N-O 2.89Å; F458-F467 WeakPolarHBondContact O-CD2 3.49Å; F458-F467 PolarHBondContact O-N 3.46Å; F458-L473 HydrophobicContact CB-CB 4.1Å; F458-L473 HydrophobicContact CB-CD2 3.76Å
459S76.4Confident61.3Low58 Ų58110.1 Ų110.141%0.40658%0.576SS.*EExtended strand (participates in β ladder)trans-70138.8171.6-44.50000111.4M457M457-S459 PolarHBondContact O-N 2.82Å
460C82.2Confident64.2Low0 Ų0108.9 Ų108.90%056%0.556CS.*  trans-79122.1165.51760000110.9V462 C463 Y464 K465 F467 L473 H476 M477C460-V462 PolarHBondContact O-N 3.07Å; C460-V462 VanDerWaalsContact O-N 3.11Å; C460-V462 PolarHBondContact SG-N 3.43Å; C460-V462 VanDerWaalsContact SG-N 3.4Å; C460-C463 PolarHBondContact O-N 3.35Å; C460-Y464 WeakPolarHBondContact O-CA 3.37Å; C460-Y464 PolarHBondContact O-N 3.5Å; C460-K465 PolarHBondContact N-O 3.13Å; C460-F467 HydrophobicContact CB-CE2 4.09Å; C460-L473 HydrophobicContact CB-CD1 3.67Å; C460-H476 VanDerWaalsContact SG-CD2 3.53Å; C460-H476 PolarHBondContact SG-NE2 3.35Å; C460-M477 WeakPolarHBondContact SG-CE 3.13Å
461P76.6Confident66.8Low89 Ų89110.3 Ų110.358%0.57855%0.553SS**THydrogen-bonded Turntrans-67.4-11.6179.326.4-34.8000114.4M477P461-M477 HydrophobicContact CG-SD 4.21Å
462V76.4Confident69.7Low80 Ų80106.4 Ų106.449%0.48554%0.536SS..THydrogen-bonded Turntrans-103.6-12.9-176.3-168.50000112.9C460 M477 H480C460-V462 PolarHBondContact O-N 3.07Å; C460-V462 VanDerWaalsContact O-N 3.11Å; C460-V462 PolarHBondContact SG-N 3.43Å; C460-V462 VanDerWaalsContact SG-N 3.4Å; V462-M477 HydrophobicContact CB-CE 4.07Å; V462-M477 HydrophobicContact CG2-CE 3.71Å; V462-H480 WeakPolarHBondContact CG1-ND1 3.17Å
463C88.9Confident72.7Confident45 Ų45101.6 Ų101.630%0.30450%0.501SS..THydrogen-bonded Turntrans-15112.4173.175.40000115.3C460 K465 H476C460-C463 PolarHBondContact O-N 3.35Å; C463-K465 PolarHBondContact O-N 3.03Å; C463-H476 PolarHBondContact SG-CE1 3.24Å; C463-H476 PolarHBondContact SG-NE2 3.13Å
464Y75.8Confident74.8Confident183 Ų183103.9 Ų103.972%0.71849%0.492SS*.  trans54.65.3177.8-61-82.2000117.5C460 R466C460-Y464 WeakPolarHBondContact O-CA 3.37Å; C460-Y464 PolarHBondContact O-N 3.5Å; Y464-R466 PolarHBondContact O-N 3.49Å
465K83.5Confident77.1Confident138 Ų13898 Ų9860%0.648%0.477SS*.  trans-61.7127.9173-68.6-175.3-179.7-175.30110.4C460 C463 F467C460-K465 PolarHBondContact N-O 3.13Å; C463-K465 PolarHBondContact O-N 3.03Å; K465-F467 HydrophobicContact CB-CE2 3.95Å; K465-F467 HydrophobicContact CB-CZ 4.06Å; K465-F467 VanDerWaalsContact O-CD2 3.26Å; K465-F467 WeakPolarHBondContact O-CD2 3.31Å; K465-F467 WeakPolarHBondContact O-CE2 3.44Å
466R80.9Confident79.2Confident175 Ų17594.9 Ų94.966%0.6646%0.455SS*.EExtended strand (participates in β ladder)trans-87.6140.3-179.4-65.2-178.2175.8175.8-2.1111.2M457 Y464M457-R466 HydrophobicContact CB-CB 4.35Å; M457-R466 HydrophobicContact CE-CB 3.83Å; M457-R466 HydrophobicContact SD-CB 4.42Å; Y464-R466 PolarHBondContact O-N 3.49Å
467F87.4Confident80.9Confident41 Ų4190 Ų9018%0.1843%0.432CS..EExtended strand (participates in β ladder)trans-129129.1-179.4-62.7-84.6000111F458 C460 K465 L469 L473 H476F458-F467 PolarHBondContact N-O 2.89Å; F458-F467 WeakPolarHBondContact O-CD2 3.49Å; F458-F467 PolarHBondContact O-N 3.46Å; C460-F467 HydrophobicContact CB-CE2 4.09Å; K465-F467 HydrophobicContact CB-CE2 3.95Å; K465-F467 HydrophobicContact CB-CZ 4.06Å; K465-F467 VanDerWaalsContact O-CD2 3.26Å; K465-F467 WeakPolarHBondContact O-CD2 3.31Å; K465-F467 WeakPolarHBondContact O-CE2 3.44Å; F467-L469 PolarHBondContact O-N 3.33Å; F467-L473 HydrophobicContact CB-CB 4.24Å; F467-L473 HydrophobicContact CD2-CB 4.03Å; F467-L473 HydrophobicContact CD2-CD1 3.88Å; F467-L473 HydrophobicContact CE2-CD1 4.09Å; F467-L473 HydrophobicContact CG-CB 4.27Å; F467-H476 HydrophobicContact CE1-CB 3.96Å; F467-H476 HydrophobicContact CE2-CB 3.98Å; F467-H476 AromaticContact CE2-CD2 3.49Å; F467-H476 VanDerWaalsContact CE2-CD2 3.49Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.11Å; F467-H476 AromaticContact CE2-CG 3.67Å; F467-H476 HydrophobicContact CZ-CB 3.52Å; F467-H476 AromaticContact CZ-CD2 3.57Å; F467-H476 AromaticContact CZ-CG 3.25Å; F467-H476 AromaticContact CZ-ND1 3.62Å
468Q78Confident81.3Confident157 Ų15791.1 Ų91.173%0.73444%0.44SS*.SBendtrans-65.7-13.3176.8-71.7175.6-30.200114.4
469L84.4Confident80.9Confident111 Ų11194.5 Ų94.558%0.58145%0.45SS*.SBendtrans-137.8131.7-176.4-64.4172.6000110.5F467 R471 S472 L473F467-L469 PolarHBondContact O-N 3.33Å; L469-R471 PolarHBondContact O-N 3.15Å; L469-S472 WeakPolarHBondContact O-CA 3.45Å; L469-S472 WeakPolarHBondContact O-CB 3.47Å; L469-S472 PolarHBondContact O-N 3.5Å; L469-L473 PolarHBondContact O-N 2.9Å; L469-L473 VanDerWaalsContact O-N 3.16Å
470S81.3Confident80.5Confident45 Ų4594.4 Ų94.432%0.31544%0.443SS..Hα-helixtrans-57.4-25.3175.974.50000113.2R474S470-R474 WeakPolarHBondContact O-CB 3.48Å; S470-R474 PolarHBondContact O-N 3.13Å; S470-R474 PolarHBondContact O-NE 3.09Å; S470-R474 PolarHBondContact OG-NH2 3.04Å; S470-R474 VanDerWaalsContact OG-NH2 3.09Å
471R79.8Confident78.8Confident199 Ų19998.6 Ų98.675%0.75147%0.473SS*.Hα-helixtrans-69.4-37.5173.1-169.2177.7-173.2176.84.4112.4L469 R474 V475L469-R471 PolarHBondContact O-N 3.15Å; R471-R474 PolarHBondContact O-N 2.93Å; R471-V475 WeakPolarHBondContact O-CG2 3.37Å; R471-V475 PolarHBondContact O-N 3.45Å
472S86.7Confident77.1Confident53 Ų53101.8 Ų101.837%0.37148%0.482SS..Hα-helixtrans-70.1-41.6176.2-62.50000110.9L469 V475 H476L469-S472 WeakPolarHBondContact O-CA 3.45Å; L469-S472 WeakPolarHBondContact O-CB 3.47Å; L469-S472 PolarHBondContact O-N 3.5Å; S472-V475 PolarHBondContact O-N 3.27Å; S472-H476 WeakPolarHBondContact O-CB 3.35Å; S472-H476 PolarHBondContact O-N 3.19Å
473L88.4Confident75.4Confident28 Ų28103.1 Ų103.115%0.14749%0.49CS..Hα-helixtrans-58.9-47.9170.1175.759.9000111.3F458 C460 F467 L469 V475 H476 M477F458-L473 HydrophobicContact CB-CB 4.1Å; F458-L473 HydrophobicContact CB-CD2 3.76Å; C460-L473 HydrophobicContact CB-CD1 3.67Å; F467-L473 HydrophobicContact CB-CB 4.24Å; F467-L473 HydrophobicContact CD2-CB 4.03Å; F467-L473 HydrophobicContact CD2-CD1 3.88Å; F467-L473 HydrophobicContact CE2-CD1 4.09Å; F467-L473 HydrophobicContact CG-CB 4.27Å; L469-L473 PolarHBondContact O-N 2.9Å; L469-L473 VanDerWaalsContact O-N 3.16Å; L473-V475 PolarHBondContact O-N 3.29Å; L473-H476 CarbonylContact O-C 3.6Å; L473-H476 WeakPolarHBondContact O-CA 3.38Å; L473-H476 WeakPolarHBondContact O-CB 3.45Å; L473-H476 PolarHBondContact O-N 2.78Å; L473-M477 HydrophobicContact CD1-CG 3.64Å; L473-M477 HydrophobicContact CD1-SD 4.21Å; L473-M477 HydrophobicContact CG-CG 4.02Å; L473-M477 VanDerWaalsContact O-CG 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.49Å; L473-M477 PolarHBondContact O-N 2.9Å
474R78.9Confident72.7Confident164 Ų164104.6 Ų104.662%0.61951%0.513SS*.Hα-helixtrans-58.9-42.4177.4-83.8-179-83.4-165.3-7.3113.2S470 R471 H476 M477 L478S470-R474 WeakPolarHBondContact O-CB 3.48Å; S470-R474 PolarHBondContact O-N 3.13Å; S470-R474 PolarHBondContact O-NE 3.09Å; S470-R474 PolarHBondContact OG-NH2 3.04Å; S470-R474 VanDerWaalsContact OG-NH2 3.09Å; R471-R474 PolarHBondContact O-N 2.93Å; R474-H476 VanDerWaalsContact C-N 3.27Å; R474-H476 PolarHBondContact O-N 3.3Å; R474-M477 PolarHBondContact O-N 3.49Å; R474-L478 WeakPolarHBondContact O-CG 3.4Å; R474-L478 PolarHBondContact O-N 3.32Å; R474-L478 VanDerWaalsContact O-N 3.08Å
475V80.9Confident70.4Confident82 Ų82101.5 Ų101.550%0.49752%0.516SS..Hα-helixtrans-66.5-30.3175.2170.60000112.2R471 S472 L473R471-V475 WeakPolarHBondContact O-CG2 3.37Å; R471-V475 PolarHBondContact O-N 3.45Å; S472-V475 PolarHBondContact O-N 3.27Å; L473-V475 PolarHBondContact O-N 3.29Å
476H87Confident67.8Low26 Ų26104.2 Ų104.212%0.1253%0.528CS..Hα-helixtrans-76.3-41.1174.8172.377.2000112.6C460 C463 F467 S472 L473 R474 L478 R479 H480C460-H476 VanDerWaalsContact SG-CD2 3.53Å; C460-H476 PolarHBondContact SG-NE2 3.35Å; C463-H476 PolarHBondContact SG-CE1 3.24Å; C463-H476 PolarHBondContact SG-NE2 3.13Å; F467-H476 HydrophobicContact CE1-CB 3.96Å; F467-H476 HydrophobicContact CE2-CB 3.98Å; F467-H476 AromaticContact CE2-CD2 3.49Å; F467-H476 VanDerWaalsContact CE2-CD2 3.49Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.11Å; F467-H476 AromaticContact CE2-CG 3.67Å; F467-H476 HydrophobicContact CZ-CB 3.52Å; F467-H476 AromaticContact CZ-CD2 3.57Å; F467-H476 AromaticContact CZ-CG 3.25Å; F467-H476 AromaticContact CZ-ND1 3.62Å; S472-H476 WeakPolarHBondContact O-CB 3.35Å; S472-H476 PolarHBondContact O-N 3.19Å; L473-H476 CarbonylContact O-C 3.6Å; L473-H476 WeakPolarHBondContact O-CA 3.38Å; L473-H476 WeakPolarHBondContact O-CB 3.45Å; L473-H476 PolarHBondContact O-N 2.78Å; R474-H476 VanDerWaalsContact C-N 3.27Å; R474-H476 PolarHBondContact O-N 3.3Å; H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 PolarHBondContact O-N 2.92Å; H476-R479 WeakPolarHBondContact O-CA 3.46Å; H476-R479 VanDerWaalsContact O-CB 3.24Å; H476-R479 WeakPolarHBondContact O-CB 3.27Å; H476-R479 PolarHBondContact O-N 3.26Å; H476-H480 AromaticContact CE1-CD2 3.97Å; H476-H480 AromaticContact CE1-NE2 3.61Å; H476-H480 AromaticContact NE2-CD2 3.56Å; H476-H480 AromaticContact NE2-NE2 3.3Å; H476-H480 PolarHBondContact NE2-NE2 3.27Å
477M78.9Confident65Low52 Ų52101.2 Ų101.226%0.25653%0.534SS..Hα-helixtrans-64.1-34.3175.9-66.3-90.453.100112.2C460 P461 V462 L473 R474 R479 H480 S481C460-M477 WeakPolarHBondContact SG-CE 3.13Å; P461-M477 HydrophobicContact CG-SD 4.21Å; V462-M477 HydrophobicContact CB-CE 4.07Å; V462-M477 HydrophobicContact CG2-CE 3.71Å; L473-M477 HydrophobicContact CD1-CG 3.64Å; L473-M477 HydrophobicContact CD1-SD 4.21Å; L473-M477 HydrophobicContact CG-CG 4.02Å; L473-M477 VanDerWaalsContact O-CG 3.3Å; L473-M477 WeakPolarHBondContact O-CG 3.49Å; L473-M477 PolarHBondContact O-N 2.9Å; R474-M477 PolarHBondContact O-N 3.49Å; M477-R479 PolarHBondContact O-N 3.01Å; M477-R479 VanDerWaalsContact O-N 3.09Å; M477-H480 HydrophobicContact CE-CB 3.86Å; M477-H480 PolarHBondContact O-N 2.59Å; M477-S481 PolarHBondContact O-N 3.23Å
478L75.9Confident62.1Low110 Ų110109.8 Ų109.858%0.57657%0.567SS**Hα-helixtrans-62.6-8.7168.5-74168.8000114.4R474 H476 S481 M482R474-L478 WeakPolarHBondContact O-CG 3.4Å; R474-L478 PolarHBondContact O-N 3.32Å; R474-L478 VanDerWaalsContact O-N 3.08Å; H476-L478 VanDerWaalsContact C-N 3.29Å; H476-L478 PolarHBondContact O-N 2.92Å; L478-S481 WeakPolarHBondContact CA-OG 3.43Å; L478-S481 PolarHBondContact O-OG 3.15Å; L478-M482 WeakPolarHBondContact O-CE 3.43Å
479R70.4Confident59.4Low148 Ų148110.9 Ų110.956%0.55857%0.572SS**Hα-helixtrans-88.8-39.6168.2-58.1-175-177.5-177.62.8111.9H476 M477 S481 M482H476-R479 WeakPolarHBondContact O-CA 3.46Å; H476-R479 VanDerWaalsContact O-CB 3.24Å; H476-R479 WeakPolarHBondContact O-CB 3.27Å; H476-R479 PolarHBondContact O-N 3.26Å; M477-R479 PolarHBondContact O-N 3.01Å; M477-R479 VanDerWaalsContact O-N 3.09Å; R479-S481 VanDerWaalsContact C-N 3.33Å; R479-M482 PolarHBondContact O-N 2.76Å; R479-M482 VanDerWaalsContact O-N 3.16Å
480H68.1Low56.6Low56 Ų56116.9 Ų116.926%0.25959%0.587SS.*Hα-helixtrans-62.3-41.4173.4-77.2-81.4000111V462 H476 M477 M482 V483V462-H480 WeakPolarHBondContact CG1-ND1 3.17Å; H476-H480 AromaticContact CE1-CD2 3.97Å; H476-H480 AromaticContact CE1-NE2 3.61Å; H476-H480 AromaticContact NE2-CD2 3.56Å; H476-H480 AromaticContact NE2-NE2 3.3Å; H476-H480 PolarHBondContact NE2-NE2 3.27Å; M477-H480 HydrophobicContact CE-CB 3.86Å; M477-H480 PolarHBondContact O-N 2.59Å; H480-M482 PolarHBondContact O-N 2.96Å; H480-V483 PolarHBondContact O-N 3.36Å; H480-V483 VanDerWaalsContact O-O 3.11Å
481S46.2Very low53.8Low89 Ų89122.1 Ų122.162%0.62261%0.61SS**THydrogen-bonded Turntrans-67.12.2175.2750000115.2M477 L478 R479M477-S481 PolarHBondContact O-N 3.23Å; L478-S481 WeakPolarHBondContact CA-OG 3.43Å; L478-S481 PolarHBondContact O-OG 3.15Å; R479-S481 VanDerWaalsContact C-N 3.33Å
482M40.8Very low51.3Low156 Ų156118.3 Ų118.377%0.76861%0.611SS**THydrogen-bonded Turntrans-1134.3173.7-70.8-162.5-68.600113.4L478 R479 H480L478-M482 WeakPolarHBondContact O-CE 3.43Å; R479-M482 PolarHBondContact O-N 2.76Å; R479-M482 VanDerWaalsContact O-N 3.16Å; H480-M482 PolarHBondContact O-N 2.96Å
483V41.8Very low48.4Very low107 Ų107123.9 Ų123.965%0.64864%0.635SS**SBendtrans-120.8120.2172.5-178.40000107.5H480 C485H480-V483 PolarHBondContact O-N 3.36Å; H480-V483 VanDerWaalsContact O-O 3.11Å; V483-C485 PolarHBondContact O-N 3Å
484G32.7Very low45.4Very low76 Ų76127.7 Ų127.778%0.78466%0.664SS**PPolyproline II helixtrans-67.2118.7174.600000109.6K486G484-K486 PolarHBondContact O-N 3.26Å
485C26.6Very low42.6Very low118 Ų118128.2 Ų128.280%0.79767%0.673SS**PPolyproline II helixtrans-61.2122.1173.7-65.50000109.8V483V483-C485 PolarHBondContact O-N 3Å
486K27.8Very low40Very low196 Ų196132.3 Ų132.385%0.85269%0.692SS**PPolyproline II helixtrans-102.2136.2141.1-77.7-167171.3-167.40106.9G484G484-K486 PolarHBondContact O-N 3.26Å
487S22.4Very low36.8Very low112 Ų112135.2 Ų135.278%0.78372%0.716SS**PPolyproline II helixtrans-55.3138.1172.533.30000110.9
488Y28.1Very low34.2Very low220 Ų220139.8 Ų139.886%0.86374%0.74SS**  trans-152.9123.4155.7-108-75.1000108.7
489E20Very low31.8Very low180 Ų180143.2 Ų143.284%0.84175%0.752SS**  trans-73.2137.5172.8-61.6150.7130.200109.9
490R26.4Very low29.5Very low237 Ų237145.2 Ų145.289%0.89477%0.768SS**  trans-161.2144137.1-126169.4-88.5-148.6-5.2112.8
491I23Very low27.5Very low156 Ų156151.3 Ų151.380%0.879%0.794SS**  trans-78.8153.4-170.6-71.3165.3000110.6
492P27.3Very low26.6Very low119 Ų119153.9 Ų153.977%0.77380%0.801SS**  trans-84.3152.2-16933.6-36.2000114
493I25.2Very low25.8Very low169 Ų169153.4 Ų153.487%0.86780%0.798SS**  trans-117.5153.5165.7-65.8179000109.2
494S24.4Very low24.8Very low108 Ų108157.9 Ų157.976%0.75580%0.804SS**  trans-73167.9-151.547.10000117.6
495Q20.8Very low24.4Very low175 Ų175160.6 Ų160.682%0.81880%0.8SS**  trans-51145.9166.3-59148.8-19.500111.8
496N25.6Very low24.3Very low169 Ų169165 Ų16590%0.90480%0.8SS**  trans-151.7160136.1-110.3-24.5000110.7
497S20.9Very low24.1Very low87 Ų87162.9 Ų162.961%0.60880%0.797SS**  trans-140.9172.2-144.963.30000112.7
498I23.7Very low24.2Very low148 Ų148164.1 Ų164.176%0.75980%0.795SS**  trans67.3108161.7-51.3157.1000115
499Q26.9Very low24Very low181 Ų181159 Ų15985%0.84679%0.787SS**  178.6114.9104.5-85.5-165.11700110.9
500Q21.5Very low24.1Very low191 Ų191159.8 Ų159.889%0.89379%0.788SS**  trans-98.2137.1151.9-70177.2-17.300107
501K26.3Very low24.1Very low184 Ų184155.5 Ų155.580%0.879%0.788SS**  trans-165.1150151.6-115.3170.2-175-1800112.8
502N27.6Very low24.1Very low142 Ų142153.8 Ų153.876%0.75979%0.788SS**  trans69.1146.1159.2-55-12.8000118.5
503M22.6Very low23.9Very low147 Ų147155.1 Ų155.172%0.72479%0.789SS**  cis178.1154.2-35.4-113.4-73.2-151.700106
504R21.9Very low24.1Very low200 Ų200156.5 Ų156.576%0.75579%0.789SS**  trans-35.3148.6174.1-58.9159.8170.3154.8-6116.6
505N24.2Very low24.3Very low133 Ų133157.4 Ų157.471%0.71180%0.795SS**  178.9151.9101.3-97.7-33.4000117.1
506R24.9Very low24.6Very low211 Ų211158 Ų15880%0.79680%0.795SS**  trans53.1117.5147-65174.7179.5-172.3-2.5119.3
507L21.7Very low24.7Very low151 Ų151160 Ų16079%0.79180%0.795SS**  64.299.776.5-75.2166.3000114.5
508N24.6Very low25.1Very low139 Ų139161.4 Ų161.474%0.74381%0.806SS**  174.7147.4106.4-95.2-16.3000116.8
509T23.7Very low25.2Very low112 Ų112160 Ų16069%0.68781%0.807SS**  trans52.4120.8146.457.20000124.4
510K23.2Very low25.3Very low197 Ų197156 Ų15686%0.85780%0.8SS**  trans55.298.9132.8-62.3-178.4178.6177.90119.8
511T26Very low25.8Very low146 Ų146158.2 Ų158.290%0.89680%0.8SS**  trans-139.5131.3138.445.10000110.6
512C22.8Very low26.2Very low121 Ų121158 Ų15882%0.81880%0.799SS**  trans-77.3162.3166.4-77.90000111.2
513D24.3Very low26.5Very low146 Ų146158.6 Ų158.678%0.78180%0.801SS**  trans5397.9166.6-70.9-37.2000119.3
514K29Very low26.9Very low199 Ų199156.8 Ų156.887%0.86580%0.798SS**  -159.5107.5128.8-100.9134.3-163.1166.10112.7K516K514-K516 VanDerWaalsContact C-N 3.26Å; K514-K516 PolarHBondContact O-N 2.88Å
515S27.5Very low27.6Very low127 Ų127153.9 Ų153.989%0.88879%0.793SS**  trans-70.270.7167.546.70000112.4
516K26.9Very low28.4Very low187 Ų187157 Ų15781%0.81380%0.795SS**  trans-149.7134.8172.4-101.9164.3-171.1169.30112.6K514K514-K516 VanDerWaalsContact C-N 3.26Å; K514-K516 PolarHBondContact O-N 2.88Å
517K27.7Very low30Very low210 Ų210152.5 Ų152.591%0.91378%0.781SS**  trans81.692.2173.1-56.9-179.5179.2177.30118.3
518S29.7Very low32.7Very low118 Ų118147.6 Ų147.683%0.82576%0.756SS**  trans-144.840133.467.10000112.7S520S518-S520 VanDerWaalsContact C-N 3.32Å; S518-S520 PolarHBondContact O-N 3.25Å
519C25.5Very low35.4Very low118 Ų118149.4 Ų149.480%0.79775%0.752SS**  trans-89.265.2171.8-1670000111
520S29Very low38.1Very low98 Ų98144.1 Ų144.169%0.68572%0.72SS**  trans-154.365.2-178.358.30000113.3S518S518-S520 VanDerWaalsContact C-N 3.32Å; S518-S520 PolarHBondContact O-N 3.25Å
521R32.2Very low40.5Very low236 Ų236140.9 Ų140.989%0.89171%0.71SS**  trans-16860.3156-106.4165.3-166.3-176.55.7110.7L523R521-L523 PolarHBondContact O-N 3.11Å
522K34.3Very low42.9Very low179 Ų179138.4 Ų138.478%0.77869%0.689SS**  trans-66.9103.9165.5-72.4176.5-174.9164.30107.6V524K522-V524 PolarHBondContact O-N 3.43Å
523L34.2Very low45.6Very low155 Ų155134.3 Ų134.381%0.81266%0.661SS**  trans-57.9122.5175.4-87.684.4000109.9R521 H525R521-L523 PolarHBondContact O-N 3.11Å; L523-H525 PolarHBondContact O-N 2.85Å; L523-H525 VanDerWaalsContact O-N 3.16Å
524V32.5Very low48Very low110 Ų110134.5 Ų134.567%0.66766%0.655SS**  trans-55.6118.8165.9175.90000108.3K522 R526K522-V524 PolarHBondContact O-N 3.43Å; V524-R526 VanDerWaalsContact C-N 3.27Å; V524-R526 PolarHBondContact O-N 2.9Å
525H34.8Very low50.5Low139 Ų139130.7 Ų130.764%0.64464%0.639SS**  trans-70.782.2-179-97.5-62.4000111.1L523 F527L523-H525 PolarHBondContact O-N 2.85Å; L523-H525 VanDerWaalsContact O-N 3.16Å; H525-F527 HydrophobicContact CB-CE2 4.47Å; H525-F527 VanDerWaalsContact O-CD2 3.23Å; H525-F527 WeakPolarHBondContact O-CD2 3.24Å; H525-F527 PolarHBondContact O-N 3.32Å
526R42.6Very low53.2Low199 Ų199127.3 Ų127.375%0.75162%0.618SS**  trans-61.992.5171.7-163.5176.5-172.698.21.5109.7V524 N528V524-R526 VanDerWaalsContact C-N 3.27Å; V524-R526 PolarHBondContact O-N 2.9Å; R526-N528 PolarHBondContact O-N 3.36Å; R526-N528 PolarHBondContact O-ND2 2.89Å
527F57.6Low56.1Low116 Ų116120 Ų12051%0.50959%0.586SS.*  trans-64.1119.6-179.4-76.5-81.4000110.8H525 R529 A536 R538H525-F527 HydrophobicContact CB-CE2 4.47Å; H525-F527 VanDerWaalsContact O-CD2 3.23Å; H525-F527 WeakPolarHBondContact O-CD2 3.24Å; H525-F527 PolarHBondContact O-N 3.32Å; F527-R529 PolarHBondContact O-N 2.99Å; F527-R529 VanDerWaalsContact O-N 3.14Å; F527-A536 HydrophobicContact CB-CB 4.14Å; F527-A536 HydrophobicContact CD1-CB 4.19Å; F527-A536 HydrophobicContact CG-CB 4.41Å; F527-R538 HydrophobicContact CE1-CG 4.09Å
528N79.5Confident58.6Low48 Ų48117.4 Ų117.426%0.25757%0.571SS.*EExtended strand (participates in β ladder)trans-79.899.1179.7-72-82.6000108.6R526 F537 V540 L543R526-N528 PolarHBondContact O-N 3.36Å; R526-N528 PolarHBondContact O-ND2 2.89Å; N528-F537 PolarHBondContact N-O 2.99Å; N528-F537 WeakPolarHBondContact O-CB 3.49Å; N528-F537 WeakPolarHBondContact O-CD2 3.37Å; N528-F537 PolarHBondContact O-N 3.34Å; N528-V540 WeakPolarHBondContact OD1-CG2 3.5Å; N528-L543 HydrophobicContact CB-CB 4.09Å; N528-L543 HydrophobicContact CB-CD2 3.82Å
529R81Confident61.2Low177 Ų177114 Ų11467%0.66855%0.547SS*.EExtended strand (participates in β ladder)trans-81.3143.2177.4-65.5-174.5-174.5-1773.2110.9F527 K535 A536F527-R529 PolarHBondContact O-N 2.99Å; F527-R529 VanDerWaalsContact O-N 3.14Å; R529-K535 CarbonylContact C-O 3.53Å; R529-K535 WeakPolarHBondContact CA-O 3.08Å; R529-A536 HydrophobicContact CG-CB 4.16Å
530C79.2Confident64.1Low1 Ų1111.7 Ų111.71%0.00753%0.529CS..  trans-80.7125.7175.8-178.60000112H532 C533 F534 K535 F537 L543 H546 H551C530-H532 PolarHBondContact O-N 3.1Å; C530-C533 PolarHBondContact O-N 2.78Å; C530-F534 WeakPolarHBondContact O-CA 3.37Å; C530-F534 PolarHBondContact O-N 3.15Å; C530-K535 PolarHBondContact N-O 3.39Å; C530-F537 HydrophobicContact CB-CE2 3.98Å; C530-L543 VanDerWaalsContact CA-CD1 3.44Å; C530-L543 HydrophobicContact CB-CD1 3.46Å; C530-L543 VanDerWaalsContact CB-CD1 3.46Å; C530-H546 VanDerWaalsContact SG-CD2 3.51Å; C530-H546 PolarHBondContact SG-NE2 3.26Å; C530-H551 PolarHBondContact SG-CD2 3.23Å; C530-H551 PolarHBondContact SG-NE2 2.8Å
531I75.4Confident66.7Low128 Ų128112.8 Ų112.866%0.65653%0.527SS*.THydrogen-bonded Turntrans-59.2-33.3-179.3-162.1165.9000113.2
532H76.1Confident69.3Low95 Ų95109.1 Ų109.144%0.4451%0.513SS..THydrogen-bonded Turntrans-86-13.7-176.8-51.1-74.9000115C530 H551C530-H532 PolarHBondContact O-N 3.1Å; H532-H551 AromaticContact CD2-CD2 3.65Å; H532-H551 AromaticContact CD2-CG 3.61Å; H532-H551 AromaticContact CG-CG 3.84Å
533C78.2Confident71.8Confident35 Ų35101.7 Ų101.724%0.23648%0.482CS..THydrogen-bonded Turntrans-150.78.4-179.279.20000116.1C530 K535 H546 H551C530-C533 PolarHBondContact O-N 2.78Å; C533-K535 PolarHBondContact O-N 2.89Å; C533-H546 VanDerWaalsContact SG-CE1 3.55Å; C533-H546 PolarHBondContact SG-NE2 2.9Å; C533-H551 WeakPolarHBondContact CB-CE1 3.41Å; C533-H551 PolarHBondContact SG-NE2 2.79Å
534F75.6Confident74.1Confident150 Ų150100.8 Ų100.866%0.65847%0.471SS*.  trans55.14.3176.9-61.4-82.5000117.7C530 A536C530-F534 WeakPolarHBondContact O-CA 3.37Å; C530-F534 PolarHBondContact O-N 3.15Å; F534-A536 PolarHBondContact O-N 2.98Å
535K81Confident76.3Confident119 Ų119100.1 Ų100.152%0.51746%0.464SS..  trans-58.7130.7172.6-72.7-179.9-178.31740110.9R529 C530 C533 F537R529-K535 CarbonylContact C-O 3.53Å; R529-K535 WeakPolarHBondContact CA-O 3.08Å; C530-K535 PolarHBondContact N-O 3.39Å; C533-K535 PolarHBondContact O-N 2.89Å; K535-F537 HydrophobicContact CB-CE2 3.63Å; K535-F537 HydrophobicContact CB-CZ 3.82Å; K535-F537 WeakPolarHBondContact O-CD2 3.34Å; K535-F537 WeakPolarHBondContact O-CE2 3.15Å
536A84Confident78.8Confident55 Ų5594.3 Ų94.346%0.45544%0.437SS..EExtended strand (participates in β ladder)trans-81.1132.7175.700000111.8F527 R529 F534F527-A536 HydrophobicContact CB-CB 4.14Å; F527-A536 HydrophobicContact CD1-CB 4.19Å; F527-A536 HydrophobicContact CG-CB 4.41Å; R529-A536 HydrophobicContact CG-CB 4.16Å; F534-A536 PolarHBondContact O-N 2.98Å
537F87.6Confident80.6Confident34 Ų3486.9 Ų86.915%0.14941%0.411CS..EExtended strand (participates in β ladder)trans-119.6136.6175.7-62.7-86.3000110.8N528 C530 K535 S539 R542 L543 H546N528-F537 PolarHBondContact N-O 2.99Å; N528-F537 WeakPolarHBondContact O-CB 3.49Å; N528-F537 WeakPolarHBondContact O-CD2 3.37Å; N528-F537 PolarHBondContact O-N 3.34Å; C530-F537 HydrophobicContact CB-CE2 3.98Å; K535-F537 HydrophobicContact CB-CE2 3.63Å; K535-F537 HydrophobicContact CB-CZ 3.82Å; K535-F537 WeakPolarHBondContact O-CD2 3.34Å; K535-F537 WeakPolarHBondContact O-CE2 3.15Å; F537-S539 PolarHBondContact O-N 2.98Å; F537-R542 HydrophobicContact CB-CB 4.2Å; F537-R542 HydrophobicContact CD1-CB 4.03Å; F537-R542 HydrophobicContact CG-CB 4.49Å; F537-L543 HydrophobicContact CB-CB 4.1Å; F537-L543 HydrophobicContact CD2-CB 4.15Å; F537-L543 HydrophobicContact CD2-CD1 3.77Å; F537-L543 HydrophobicContact CE2-CD1 4.12Å; F537-L543 HydrophobicContact CG-CB 4.26Å; F537-H546 HydrophobicContact CD1-CB 4.4Å; F537-H546 HydrophobicContact CE1-CB 3.68Å; F537-H546 AromaticContact CE1-CG 3.85Å; F537-H546 HydrophobicContact CE2-CB 4.04Å; F537-H546 AromaticContact CE2-CD2 3.2Å; F537-H546 WeakPolarHBondContact CE2-CD2 3.28Å; F537-H546 AromaticContact CE2-CG 3.63Å; F537-H546 AromaticContact CE2-NE2 3.85Å; F537-H546 HydrophobicContact CZ-CB 3.49Å; F537-H546 VanDerWaalsContact CZ-CB 3.49Å; F537-H546 AromaticContact CZ-CD2 3.23Å; F537-H546 WeakPolarHBondContact CZ-CD2 3.24Å; F537-H546 AromaticContact CZ-CG 3.15Å; F537-H546 AromaticContact CZ-ND1 3.71Å; F537-H546 AromaticContact CZ-NE2 3.82Å
538R81.6Confident81.5Confident156 Ų15688.1 Ų88.159%0.58941%0.414SS*.SBendtrans-66.1-11.7178.6-70.1-175.7179.1168.8-2.7114.2F527F527-R538 HydrophobicContact CE1-CG 4.09Å
539S83.8Confident81.3Confident45 Ų4593.1 Ų93.132%0.31543%0.433SS..SBendtrans-151.6152.1176.867.10000112.2F537 N541 R542 L543F537-S539 PolarHBondContact O-N 2.98Å; S539-N541 PolarHBondContact O-N 3.44Å; S539-R542 PolarHBondContact O-N 3.3Å; S539-R542 VanDerWaalsContact O-N 3.14Å; S539-R542 PolarHBondContact OG-N 2.76Å; S539-L543 PolarHBondContact O-N 2.85Å
540V85.2Confident80.9Confident71 Ų7186.3 Ų86.343%0.4341%0.412SS..Hα-helixtrans-55.7-39.2172.6-179.80000110.6N528 R542 L543 K544N528-V540 WeakPolarHBondContact OD1-CG2 3.5Å; V540-R542 PolarHBondContact O-N 3.14Å; V540-L543 CarbonylContact O-C 3.56Å; V540-L543 WeakPolarHBondContact O-CB 3.42Å; V540-L543 PolarHBondContact O-N 3.2Å; V540-L543 VanDerWaalsContact O-N 3.14Å; V540-K544 HydrophobicContact CG1-CD 4.29Å; V540-K544 HydrophobicContact CG1-CG 4.23Å; V540-K544 WeakPolarHBondContact O-CB 3.45Å; V540-K544 PolarHBondContact O-N 2.78Å
541N84.1Confident81Confident121 Ų12187.8 Ų87.865%0.64742%0.418SS*.Hα-helixtrans-65.1-38.5178.5-70.9-8.7000112.4S539 L545S539-N541 PolarHBondContact O-N 3.44Å; N541-L545 VanDerWaalsContact O-CB 3.23Å; N541-L545 WeakPolarHBondContact O-CB 3.36Å; N541-L545 PolarHBondContact O-N 2.92Å
542R87.5Confident80.2Confident159 Ų15987.7 Ų87.760%0.642%0.419SS*.Hα-helixtrans-70.1-32.9171.9-78.3-167-178.6175.46.4112.4F537 S539 V540 H546F537-R542 HydrophobicContact CB-CB 4.2Å; F537-R542 HydrophobicContact CD1-CB 4.03Å; F537-R542 HydrophobicContact CG-CB 4.49Å; S539-R542 PolarHBondContact O-N 3.3Å; S539-R542 VanDerWaalsContact O-N 3.14Å; S539-R542 PolarHBondContact OG-N 2.76Å; V540-R542 PolarHBondContact O-N 3.14Å; R542-H546 VanDerWaalsContact O-CB 3.25Å; R542-H546 WeakPolarHBondContact O-CB 3.45Å; R542-H546 PolarHBondContact O-N 2.94Å
543L87.5Confident78.8Confident22 Ų2285.5 Ų85.512%0.11542%0.421CS..Hα-helixtrans-64.6-51.9171.8173.458.3000111.2N528 C530 F537 S539 V540 L545 H546 I547N528-L543 HydrophobicContact CB-CB 4.09Å; N528-L543 HydrophobicContact CB-CD2 3.82Å; C530-L543 VanDerWaalsContact CA-CD1 3.44Å; C530-L543 HydrophobicContact CB-CD1 3.46Å; C530-L543 VanDerWaalsContact CB-CD1 3.46Å; F537-L543 HydrophobicContact CB-CB 4.1Å; F537-L543 HydrophobicContact CD2-CB 4.15Å; F537-L543 HydrophobicContact CD2-CD1 3.77Å; F537-L543 HydrophobicContact CE2-CD1 4.12Å; F537-L543 HydrophobicContact CG-CB 4.26Å; S539-L543 PolarHBondContact O-N 2.85Å; V540-L543 CarbonylContact O-C 3.56Å; V540-L543 WeakPolarHBondContact O-CB 3.42Å; V540-L543 PolarHBondContact O-N 3.2Å; V540-L543 VanDerWaalsContact O-N 3.14Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 2.77Å; L543-H546 CarbonylContact O-C 3.56Å; L543-H546 WeakPolarHBondContact O-CA 3.47Å; L543-H546 WeakPolarHBondContact O-CB 3.37Å; L543-H546 PolarHBondContact O-N 3.36Å; L543-I547 HydrophobicContact CD1-CD1 3.76Å; L543-I547 HydrophobicContact CD1-CG1 3.9Å; L543-I547 HydrophobicContact CD2-CD1 4.43Å; L543-I547 HydrophobicContact CG-CD1 3.84Å; L543-I547 HydrophobicContact CG-CG1 4.38Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 2.89Å
544K80.6Confident77.1Confident136 Ų13693.7 Ų93.759%0.59145%0.447SS*.Hα-helixtrans-55.1-48174.8-75.8-175.1174.7-173.50111.3V540 H546 I547 Y548V540-K544 HydrophobicContact CG1-CD 4.29Å; V540-K544 HydrophobicContact CG1-CG 4.23Å; V540-K544 WeakPolarHBondContact O-CB 3.45Å; V540-K544 PolarHBondContact O-N 2.78Å; K544-H546 PolarHBondContact O-N 3.19Å; K544-I547 PolarHBondContact O-N 2.78Å; K544-Y548 VanDerWaalsContact O-CB 3.25Å; K544-Y548 WeakPolarHBondContact O-CB 3.32Å; K544-Y548 PolarHBondContact O-N 3.36Å
545L80.1Confident75.5Confident96 Ų9689 Ų8950%0.50343%0.432SS..Hα-helixtrans-63.4-29.1177.5-153.7102.4000112.4N541 L543 K549N541-L545 VanDerWaalsContact O-CB 3.23Å; N541-L545 WeakPolarHBondContact O-CB 3.36Å; N541-L545 PolarHBondContact O-N 2.92Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 2.77Å; L545-K549 HydrophobicContact CD2-CD 4.06Å; L545-K549 HydrophobicContact CG-CD 4.28Å; L545-K549 WeakPolarHBondContact O-CB 3.25Å; L545-K549 WeakPolarHBondContact O-CG 3.31Å; L545-K549 PolarHBondContact O-N 2.93Å
546H87.8Confident74.1Confident18 Ų1888.3 Ų88.38%0.08344%0.438CS..Hα-helixtrans-76.9-45.4173163.464.7000112.1C530 C533 F537 R542 L543 K544 Y548 K549 T550 H551C530-H546 VanDerWaalsContact SG-CD2 3.51Å; C530-H546 PolarHBondContact SG-NE2 3.26Å; C533-H546 VanDerWaalsContact SG-CE1 3.55Å; C533-H546 PolarHBondContact SG-NE2 2.9Å; F537-H546 HydrophobicContact CD1-CB 4.4Å; F537-H546 HydrophobicContact CE1-CB 3.68Å; F537-H546 AromaticContact CE1-CG 3.85Å; F537-H546 HydrophobicContact CE2-CB 4.04Å; F537-H546 AromaticContact CE2-CD2 3.2Å; F537-H546 WeakPolarHBondContact CE2-CD2 3.28Å; F537-H546 AromaticContact CE2-CG 3.63Å; F537-H546 AromaticContact CE2-NE2 3.85Å; F537-H546 HydrophobicContact CZ-CB 3.49Å; F537-H546 VanDerWaalsContact CZ-CB 3.49Å; F537-H546 AromaticContact CZ-CD2 3.23Å; F537-H546 WeakPolarHBondContact CZ-CD2 3.24Å; F537-H546 AromaticContact CZ-CG 3.15Å; F537-H546 AromaticContact CZ-ND1 3.71Å; F537-H546 AromaticContact CZ-NE2 3.82Å; R542-H546 VanDerWaalsContact O-CB 3.25Å; R542-H546 WeakPolarHBondContact O-CB 3.45Å; R542-H546 PolarHBondContact O-N 2.94Å; L543-H546 CarbonylContact O-C 3.56Å; L543-H546 WeakPolarHBondContact O-CA 3.47Å; L543-H546 WeakPolarHBondContact O-CB 3.37Å; L543-H546 PolarHBondContact O-N 3.36Å; K544-H546 PolarHBondContact O-N 3.19Å; H546-Y548 VanDerWaalsContact C-N 3.31Å; H546-Y548 PolarHBondContact O-N 2.88Å; H546-K549 PolarHBondContact O-N 2.98Å; H546-T550 PolarHBondContact CE1-OG1 3.42Å; H546-T550 PolarHBondContact ND1-OG1 2.88Å; H546-T550 WeakPolarHBondContact O-CA 3.49Å; H546-T550 WeakPolarHBondContact O-CB 3.39Å; H546-T550 PolarHBondContact O-N 3.32Å; H546-T550 PolarHBondContact O-OG1 2.98Å; H546-H551 AromaticContact CD2-NE2 3.43Å; H546-H551 PolarHBondContact CD2-NE2 2.98Å; H546-H551 AromaticContact CE1-NE2 2.81Å; H546-H551 PolarHBondContact CE1-NE2 2.97Å; H546-H551 AromaticContact ND1-NE2 3.95Å; H546-H551 AromaticContact NE2-CD2 3.78Å; H546-H551 AromaticContact NE2-NE2 2.33Å; H546-H551 PolarHBondContact NE2-NE2 2.8Å
547I79.6Confident73.3Confident42 Ų4289 Ų8922%0.21543%0.434CS..Hα-helixtrans-56.9-48.8173.9-66.4168.6000109.7L543 K544 K549 T550 H551 L552L543-I547 HydrophobicContact CD1-CD1 3.76Å; L543-I547 HydrophobicContact CD1-CG1 3.9Å; L543-I547 HydrophobicContact CD2-CD1 4.43Å; L543-I547 HydrophobicContact CG-CD1 3.84Å; L543-I547 HydrophobicContact CG-CG1 4.38Å; L543-I547 WeakPolarHBondContact O-CG1 3.44Å; L543-I547 PolarHBondContact O-N 2.89Å; K544-I547 PolarHBondContact O-N 2.78Å; I547-K549 PolarHBondContact O-N 2.91Å; I547-T550 PolarHBondContact O-N 3.04Å; I547-H551 HydrophobicContact CG2-CB 4.45Å; I547-H551 WeakPolarHBondContact O-CA 3.33Å; I547-H551 WeakPolarHBondContact O-CB 3.26Å; I547-H551 PolarHBondContact O-N 3.14Å; I547-L552 HydrophobicContact CG2-CD1 4.08Å; I547-L552 HydrophobicContact CG2-CG 4.2Å; I547-L552 PolarHBondContact O-N 3.23Å
548Y75.4Confident72.7Confident143 Ų14390.8 Ų90.856%0.56144%0.441SS*.Hα-helixtrans-59.6-47.7176.4-171.1-99.7000113.2K544 H546 L552K544-Y548 VanDerWaalsContact O-CB 3.25Å; K544-Y548 WeakPolarHBondContact O-CB 3.32Å; K544-Y548 PolarHBondContact O-N 3.36Å; H546-Y548 VanDerWaalsContact C-N 3.31Å; H546-Y548 PolarHBondContact O-N 2.88Å; Y548-L552 HydrophobicContact CD2-CD1 4.19Å
549K75.5Confident72.4Confident152 Ų15288.4 Ų88.466%0.66144%0.438SS*.Hα-helixtrans-78-16.9-178.1-74.6179.5177.1-178.10115.7L545 H546 I547L545-K549 HydrophobicContact CD2-CD 4.06Å; L545-K549 HydrophobicContact CG-CD 4.28Å; L545-K549 WeakPolarHBondContact O-CB 3.25Å; L545-K549 WeakPolarHBondContact O-CG 3.31Å; L545-K549 PolarHBondContact O-N 2.93Å; H546-K549 PolarHBondContact O-N 2.98Å; I547-K549 PolarHBondContact O-N 2.91Å
550T73.9Confident71.9Confident35 Ų3586.7 Ų86.722%0.21543%0.426CS..Hα-helixtrans-131-14.7-164.3-22.10000114.2H546 I547 I568H546-T550 PolarHBondContact CE1-OG1 3.42Å; H546-T550 PolarHBondContact ND1-OG1 2.88Å; H546-T550 WeakPolarHBondContact O-CA 3.49Å; H546-T550 WeakPolarHBondContact O-CB 3.39Å; H546-T550 PolarHBondContact O-N 3.32Å; H546-T550 PolarHBondContact O-OG1 2.98Å; I547-T550 PolarHBondContact O-N 3.04Å; T550-I568 HydrophobicContact CG2-CD1 4.03Å; T550-I568 HydrophobicContact CG2-CG2 4.11Å
551H80Confident71.5Confident31 Ų3195.8 Ų95.814%0.14445%0.453CS..THydrogen-bonded Turntrans-129.1-38.7-177.7-58.7-54.9000112.9C530 H532 C533 H546 I547 G553C530-H551 PolarHBondContact SG-CD2 3.23Å; C530-H551 PolarHBondContact SG-NE2 2.8Å; H532-H551 AromaticContact CD2-CD2 3.65Å; H532-H551 AromaticContact CD2-CG 3.61Å; H532-H551 AromaticContact CG-CG 3.84Å; C533-H551 WeakPolarHBondContact CB-CE1 3.41Å; C533-H551 PolarHBondContact SG-NE2 2.79Å; H546-H551 AromaticContact CD2-NE2 3.43Å; H546-H551 PolarHBondContact CD2-NE2 2.98Å; H546-H551 AromaticContact CE1-NE2 2.81Å; H546-H551 PolarHBondContact CE1-NE2 2.97Å; H546-H551 AromaticContact ND1-NE2 3.95Å; H546-H551 AromaticContact NE2-CD2 3.78Å; H546-H551 AromaticContact NE2-NE2 2.33Å; H546-H551 PolarHBondContact NE2-NE2 2.8Å; I547-H551 HydrophobicContact CG2-CB 4.45Å; I547-H551 WeakPolarHBondContact O-CA 3.33Å; I547-H551 WeakPolarHBondContact O-CB 3.26Å; I547-H551 PolarHBondContact O-N 3.14Å; H551-G553 PolarHBondContact O-N 3.36Å
552L59.8Low71.1Confident127 Ų12797 Ų9767%0.66545%0.452SS*.THydrogen-bonded Turntrans-79.112.4-179.1-76.2168.6000115.9I547 Y548I547-L552 HydrophobicContact CG2-CD1 4.08Å; I547-L552 HydrophobicContact CG2-CG 4.2Å; I547-L552 PolarHBondContact O-N 3.23Å; Y548-L552 HydrophobicContact CD2-CD1 4.19Å
553G45.8Very low70.5Confident48 Ų4891.1 Ų91.150%0.49544%0.435SS..THydrogen-bonded Turntrans-126.289.3175.900000111.1H551 C555H551-G553 PolarHBondContact O-N 3.36Å; G553-C555 PolarHBondContact O-N 2.98Å; G553-C555 VanDerWaalsContact O-N 3.09Å; G553-C555 PolarHBondContact O-SG 3.25Å
554R42Very low69.6Low208 Ų20896.1 Ų96.179%0.78547%0.469SS*.THydrogen-bonded Turntrans3063.5170.4-66.5-177.5179.3159.4-1.3113.8
555C43.1Very low69.3Low50 Ų5097.4 Ų97.434%0.33847%0.47SS..  trans-101.695.4176.6-75.60000109.6G553 I557G553-C555 PolarHBondContact O-N 2.98Å; G553-C555 VanDerWaalsContact O-N 3.09Å; G553-C555 PolarHBondContact O-SG 3.25Å; C555-I557 PolarHBondContact O-N 3.45Å
556T50.5Low69Low106 Ų106100.6 Ų100.665%0.6548%0.475SS*.  trans-55.3111.4157.841.60000107.7F558T556-F558 WeakPolarHBondContact O-CD2 3.37Å; T556-F558 WeakPolarHBondContact O-CE2 3.31Å; T556-F558 PolarHBondContact O-N 2.8Å; T556-F558 VanDerWaalsContact O-N 3.1Å
557I67.4Low68.8Low69 Ų69101.5 Ų101.535%0.35448%0.479SS..  trans-76.3104.4-178.7-63.1-179.2000107.1C555 M559 R566C555-I557 PolarHBondContact O-N 3.45Å; I557-M559 HydrophobicContact CG2-CG 4.36Å; I557-M559 WeakPolarHBondContact O-CG 3.26Å; I557-M559 PolarHBondContact O-N 3.25Å; I557-R566 HydrophobicContact CG2-CB 3.44Å; I557-R566 VanDerWaalsContact CG2-CB 3.44Å; I557-R566 HydrophobicContact CG2-CG 3.65Å
558F75.4Confident68.6Low72 Ų72103 Ų10332%0.31649%0.487SS..EExtended strand (participates in β ladder)trans-67.198.3177.6-66.6-86.9000109.1T556 F567 S570 L573T556-F558 WeakPolarHBondContact O-CD2 3.37Å; T556-F558 WeakPolarHBondContact O-CE2 3.31Å; T556-F558 PolarHBondContact O-N 2.8Å; T556-F558 VanDerWaalsContact O-N 3.1Å; F558-F567 HydrophobicContact CB-CB 4.24Å; F558-F567 PolarHBondContact N-O 2.91Å; F558-F567 WeakPolarHBondContact O-CB 3.19Å; F558-F567 WeakPolarHBondContact O-CD2 3.34Å; F558-F567 PolarHBondContact O-N 3.36Å; F558-S570 VanDerWaalsContact CD2-N 3.3Å; F558-L573 HydrophobicContact CB-CB 3.84Å; F558-L573 HydrophobicContact CB-CD2 3.86Å; F558-L573 HydrophobicContact CB-CG 4.43Å; F558-L573 HydrophobicContact CD1-CD2 4.4Å
559M74.7Confident68.8Low106 Ų10698.8 Ų98.852%0.52248%0.478SS..EExtended strand (participates in β ladder)trans-81.5145.9175.6-55.3-149.7-70.500110.2I557 R566I557-M559 HydrophobicContact CG2-CG 4.36Å; I557-M559 WeakPolarHBondContact O-CG 3.26Å; I557-M559 PolarHBondContact O-N 3.25Å; M559-R566 HydrophobicContact CG-CG 4.08Å; M559-R566 HydrophobicContact SD-CG 4.08Å
560C73.8Confident69.1Low9 Ų995 Ų956%0.06147%0.471CS..EExtended strand (participates in β ladder)trans-81.5122.5169.3-1690000110.5K562 C563 R565 F567 L573 H576 H581C560-K562 PolarHBondContact O-N 3.12Å; C560-C563 WeakPolarHBondContact CB-O 3.39Å; C560-C563 PolarHBondContact O-N 2.81Å; C560-R565 PolarHBondContact N-O 2.91Å; C560-F567 HydrophobicContact CB-CE2 4.31Å; C560-L573 HydrophobicContact CB-CD1 3.68Å; C560-H576 WeakPolarHBondContact CB-NE2 3.31Å; C560-H576 PolarHBondContact SG-NE2 3.28Å; C560-H581 PolarHBondContact SG-CD2 2.85Å
561R76Confident69.4Low261 Ų26198.3 Ų98.399%0.98549%0.485SS*.THydrogen-bonded Turntrans-60.5-15.1174.5-66.4-171.4179.9-177.9-0.9113.9
562K76.3Confident69.6Low148 Ų14897.8 Ų97.864%0.64349%0.488SS*.THydrogen-bonded Turntrans-107.2-3.7179.2-59.8-152.4-165.3177.90115.5C560 H581C560-K562 PolarHBondContact O-N 3.12Å; K562-H581 HydrophobicContact CB-CB 4.28Å; K562-H581 VanDerWaalsContact CB-ND1 3.34Å; K562-H581 WeakPolarHBondContact CB-ND1 3.38Å; K562-H581 HydrophobicContact CD-CB 3.89Å; K562-H581 HydrophobicContact CG-CB 4.35Å; K562-H581 PolarHBondContact NZ-O 3.24Å; K562-H581 PolarHBondContact O-CE1 3.32Å
563C75.7Confident70.9Confident34 Ų3493.3 Ų93.323%0.2347%0.465CS..EExtended strand (participates in β ladder)trans-163.1156171.282.80000111.5C560 R565 H576 H581C560-C563 WeakPolarHBondContact CB-O 3.39Å; C560-C563 PolarHBondContact O-N 2.81Å; C563-R565 PolarHBondContact O-N 3.22Å; C563-H576 PolarHBondContact SG-CE1 3.46Å; C563-H576 PolarHBondContact SG-NE2 2.87Å; C563-H581 PolarHBondContact SG-NE2 2.99Å; C563-H581 VanDerWaalsContact SG-NE2 3.42Å
564P67.8Low72.5Confident128 Ų12897.1 Ų97.183%0.83147%0.468SS*.EExtended strand (participates in β ladder)trans-68.715.1-172.527.8-36.6000115.7
565R74.3Confident74.1Confident163 Ų16394.8 Ų94.862%0.61546%0.459SS*.EExtended strand (participates in β ladder)trans-78.2132.8179.1-70.4-170.1172.1-139.6-2.7112.4C560 C563 F567C560-R565 PolarHBondContact N-O 2.91Å; C563-R565 PolarHBondContact O-N 3.22Å; R565-F567 HydrophobicContact CB-CE2 3.52Å; R565-F567 HydrophobicContact CB-CZ 3.56Å; R565-F567 VanDerWaalsContact O-CE2 3.31Å; R565-F567 WeakPolarHBondContact O-CE2 3.09Å
566R74.4Confident76.1Confident162 Ų16293.1 Ų93.161%0.61145%0.446SS*.EExtended strand (participates in β ladder)trans-104.3132.6-178.3-73.3-179.6179.2-155.21.7110.7I557 M559I557-R566 HydrophobicContact CG2-CB 3.44Å; I557-R566 VanDerWaalsContact CG2-CB 3.44Å; I557-R566 HydrophobicContact CG2-CG 3.65Å; M559-R566 HydrophobicContact CG-CG 4.08Å; M559-R566 HydrophobicContact SD-CG 4.08Å
567F83.7Confident77.5Confident37 Ų3790 Ų9016%0.16243%0.427CS..EExtended strand (participates in β ladder)trans-124.4137.5-175.9-60.4-84.8000112.6F558 C560 R565 S569 L573 H576F558-F567 HydrophobicContact CB-CB 4.24Å; F558-F567 PolarHBondContact N-O 2.91Å; F558-F567 WeakPolarHBondContact O-CB 3.19Å; F558-F567 WeakPolarHBondContact O-CD2 3.34Å; F558-F567 PolarHBondContact O-N 3.36Å; C560-F567 HydrophobicContact CB-CE2 4.31Å; R565-F567 HydrophobicContact CB-CE2 3.52Å; R565-F567 HydrophobicContact CB-CZ 3.56Å; R565-F567 VanDerWaalsContact O-CE2 3.31Å; R565-F567 WeakPolarHBondContact O-CE2 3.09Å; F567-S569 PolarHBondContact O-N 2.84Å; F567-L573 HydrophobicContact CB-CB 4.08Å; F567-L573 HydrophobicContact CD2-CB 4.06Å; F567-L573 HydrophobicContact CD2-CD1 3.86Å; F567-L573 HydrophobicContact CE2-CD1 4.2Å; F567-L573 HydrophobicContact CG-CB 4.18Å; F567-H576 HydrophobicContact CD1-CB 4.33Å; F567-H576 HydrophobicContact CE1-CB 3.53Å; F567-H576 AromaticContact CE1-CG 3.88Å; F567-H576 HydrophobicContact CE2-CB 3.89Å; F567-H576 AromaticContact CE2-CD2 3.15Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.36Å; F567-H576 AromaticContact CE2-CG 3.57Å; F567-H576 AromaticContact CE2-NE2 3.83Å; F567-H576 HydrophobicContact CZ-CB 3.28Å; F567-H576 AromaticContact CZ-CD2 3.23Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.4Å; F567-H576 AromaticContact CZ-CG 3.1Å; F567-H576 AromaticContact CZ-ND1 3.76Å; F567-H576 AromaticContact CZ-NE2 3.89Å
568I75.5Confident78Confident73 Ų7389.2 Ų89.237%0.37442%0.423SS..SBendtrans-77.8-3-177.4-55.1163.5000111.7T550T550-I568 HydrophobicContact CG2-CD1 4.03Å; T550-I568 HydrophobicContact CG2-CG2 4.11Å
569S78.3Confident77.6Confident56 Ų5690.4 Ų90.439%0.39243%0.433SS..SBendtrans-157.5151.2175.860.10000111.7F567 M571 G572 L573F567-S569 PolarHBondContact O-N 2.84Å; S569-M571 PolarHBondContact O-N 3.06Å; S569-G572 WeakPolarHBondContact O-CA 3.46Å; S569-G572 PolarHBondContact O-N 3.28Å; S569-G572 PolarHBondContact OG-N 3.37Å; S569-G572 VanDerWaalsContact OG-N 3.16Å; S569-L573 PolarHBondContact O-N 3.27Å
570S81.9Confident77.4Confident71 Ų7194.8 Ų94.850%0.49744%0.443SS..Hα-helixtrans-58.5-34174.2710000111.9F558 G572 L573 K574F558-S570 VanDerWaalsContact CD2-N 3.3Å; S570-G572 VanDerWaalsContact C-N 3.33Å; S570-G572 PolarHBondContact O-N 3.3Å; S570-L573 PolarHBondContact O-N 3.01Å; S570-K574 WeakPolarHBondContact O-CB 3.28Å; S570-K574 PolarHBondContact O-N 3.11Å
571M80.4Confident77.4Confident106 Ų10696.2 Ų96.252%0.52245%0.449SS..Hα-helixtrans-65.7-33.7172.7-174.660.963.500112.5S569 R575S569-M571 PolarHBondContact O-N 3.06Å; M571-R575 WeakPolarHBondContact O-CB 3.3Å; M571-R575 WeakPolarHBondContact O-CG 3.38Å; M571-R575 PolarHBondContact O-N 3.49Å
572G85.3Confident76.4Confident20 Ų2091.6 Ų91.621%0.20643%0.431CS..Hα-helixtrans-66.2-48.2171.800000111.8S569 S570 R575 H576S569-G572 WeakPolarHBondContact O-CA 3.46Å; S569-G572 PolarHBondContact O-N 3.28Å; S569-G572 PolarHBondContact OG-N 3.37Å; S569-G572 VanDerWaalsContact OG-N 3.16Å; S570-G572 VanDerWaalsContact C-N 3.33Å; S570-G572 PolarHBondContact O-N 3.3Å; G572-R575 PolarHBondContact O-N 2.78Å; G572-H576 WeakPolarHBondContact O-CB 3.36Å; G572-H576 PolarHBondContact O-N 3.03Å
573L85.5Confident74.7Confident33 Ų3390.8 Ų90.817%0.17344%0.443CS..Hα-helixtrans-60-50173.7173.161.4000111.2F558 C560 F567 S569 S570 R575 H576 V577F558-L573 HydrophobicContact CB-CB 3.84Å; F558-L573 HydrophobicContact CB-CD2 3.86Å; F558-L573 HydrophobicContact CB-CG 4.43Å; F558-L573 HydrophobicContact CD1-CD2 4.4Å; C560-L573 HydrophobicContact CB-CD1 3.68Å; F567-L573 HydrophobicContact CB-CB 4.08Å; F567-L573 HydrophobicContact CD2-CB 4.06Å; F567-L573 HydrophobicContact CD2-CD1 3.86Å; F567-L573 HydrophobicContact CE2-CD1 4.2Å; F567-L573 HydrophobicContact CG-CB 4.18Å; S569-L573 PolarHBondContact O-N 3.27Å; S570-L573 PolarHBondContact O-N 3.01Å; L573-R575 VanDerWaalsContact C-N 3.33Å; L573-R575 PolarHBondContact O-N 2.96Å; L573-H576 CarbonylContact O-C 3.41Å; L573-H576 WeakPolarHBondContact O-CA 3.17Å; L573-H576 WeakPolarHBondContact O-CB 3.45Å; L573-H576 PolarHBondContact O-N 3.4Å; L573-V577 HydrophobicContact CD1-CG2 3.69Å; L573-V577 HydrophobicContact CG-CG2 4.17Å; L573-V577 WeakPolarHBondContact O-CG2 3.44Å; L573-V577 PolarHBondContact O-N 3.13Å
574K81Confident73.2Confident127 Ų12793.8 Ų93.855%0.55246%0.456SS*.Hα-helixtrans-59.4-41.3-179.9-168.9167.9-174.5168.70111.5S570 N578S570-K574 WeakPolarHBondContact O-CB 3.28Å; S570-K574 PolarHBondContact O-N 3.11Å; K574-N578 WeakPolarHBondContact O-CB 3.42Å; K574-N578 PolarHBondContact O-N 3.37Å; K574-N578 PolarHBondContact O-OD1 3.01Å
575R75.7Confident71.9Confident160 Ų16097 Ų9760%0.60446%0.457SS*.Hα-helixtrans-63.1-41.9171.3-79.3-178.3-168.1160.56.2112.9M571 G572 L573 L579M571-R575 WeakPolarHBondContact O-CB 3.3Å; M571-R575 WeakPolarHBondContact O-CG 3.38Å; M571-R575 PolarHBondContact O-N 3.49Å; G572-R575 PolarHBondContact O-N 2.78Å; L573-R575 VanDerWaalsContact C-N 3.33Å; L573-R575 PolarHBondContact O-N 2.96Å; R575-L579 VanDerWaalsContact O-CB 3.23Å; R575-L579 WeakPolarHBondContact O-CB 3.37Å; R575-L579 WeakPolarHBondContact O-CD1 3.38Å; R575-L579 VanDerWaalsContact O-CG 3.29Å; R575-L579 WeakPolarHBondContact O-CG 3.06Å; R575-L579 PolarHBondContact O-N 3.38Å
576H85.2Confident70.5Confident14 Ų1493.1 Ų93.17%0.06546%0.455CS..Hα-helixtrans-68.5-44.8179.1159.764.8000112.2C560 C563 F567 G572 L573 N578 L579 R580 H581C560-H576 WeakPolarHBondContact CB-NE2 3.31Å; C560-H576 PolarHBondContact SG-NE2 3.28Å; C563-H576 PolarHBondContact SG-CE1 3.46Å; C563-H576 PolarHBondContact SG-NE2 2.87Å; F567-H576 HydrophobicContact CD1-CB 4.33Å; F567-H576 HydrophobicContact CE1-CB 3.53Å; F567-H576 AromaticContact CE1-CG 3.88Å; F567-H576 HydrophobicContact CE2-CB 3.89Å; F567-H576 AromaticContact CE2-CD2 3.15Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.36Å; F567-H576 AromaticContact CE2-CG 3.57Å; F567-H576 AromaticContact CE2-NE2 3.83Å; F567-H576 HydrophobicContact CZ-CB 3.28Å; F567-H576 AromaticContact CZ-CD2 3.23Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.4Å; F567-H576 AromaticContact CZ-CG 3.1Å; F567-H576 AromaticContact CZ-ND1 3.76Å; F567-H576 AromaticContact CZ-NE2 3.89Å; G572-H576 WeakPolarHBondContact O-CB 3.36Å; G572-H576 PolarHBondContact O-N 3.03Å; L573-H576 CarbonylContact O-C 3.41Å; L573-H576 WeakPolarHBondContact O-CA 3.17Å; L573-H576 WeakPolarHBondContact O-CB 3.45Å; L573-H576 PolarHBondContact O-N 3.4Å; H576-N578 VanDerWaalsContact C-N 3.33Å; H576-N578 PolarHBondContact O-N 3.17Å; H576-L579 CarbonylContact O-C 3.5Å; H576-L579 WeakPolarHBondContact O-CA 3.38Å; H576-L579 WeakPolarHBondContact O-CB 3.1Å; H576-L579 PolarHBondContact O-N 3.3Å; H576-R580 WeakPolarHBondContact O-CB 3.34Å; H576-R580 PolarHBondContact O-N 2.84Å; H576-H581 AromaticContact CE1-CD2 3.66Å; H576-H581 AromaticContact CE1-NE2 3.39Å; H576-H581 PolarHBondContact CE1-NE2 3.44Å; H576-H581 AromaticContact NE2-CD2 3.39Å; H576-H581 PolarHBondContact NE2-CD2 2.73Å; H576-H581 AromaticContact NE2-NE2 3.28Å; H576-H581 PolarHBondContact NE2-NE2 3.07Å
577V80.1Confident69.9Low40 Ų4092.3 Ų92.324%0.24246%0.463CS..Hα-helixtrans-57.9-48.8173.6169.50000109.5L573 L579 R580 H581 R582L573-V577 HydrophobicContact CD1-CG2 3.69Å; L573-V577 HydrophobicContact CG-CG2 4.17Å; L573-V577 WeakPolarHBondContact O-CG2 3.44Å; L573-V577 PolarHBondContact O-N 3.13Å; V577-L579 PolarHBondContact O-N 3.49Å; V577-L579 VanDerWaalsContact O-N 3.15Å; V577-R580 PolarHBondContact O-N 3.28Å; V577-H581 HydrophobicContact CG1-CB 4.27Å; V577-H581 CarbonylContact O-C 3.59Å; V577-H581 WeakPolarHBondContact O-CA 3.44Å; V577-H581 PolarHBondContact O-N 3.22Å; V577-R582 HydrophobicContact CG1-CB 4.18Å; V577-R582 PolarHBondContact O-N 3.01Å
578N77Confident69.6Low54 Ų5493 Ų9329%0.28947%0.468SS..Hα-helixtrans-62-18173.7-743.2000114.9K574 H576 I584K574-N578 WeakPolarHBondContact O-CB 3.42Å; K574-N578 PolarHBondContact O-N 3.37Å; K574-N578 PolarHBondContact O-OD1 3.01Å; H576-N578 VanDerWaalsContact C-N 3.33Å; H576-N578 PolarHBondContact O-N 3.17Å; N578-I584 HydrophobicContact CB-CD1 3.74Å
579L67.8Low69.7Low97 Ų9792.4 Ų92.451%0.50847%0.465SS..Hα-helixtrans-98-22.4-179.7-92.3169000114.3R575 H576 V577 L598R575-L579 VanDerWaalsContact O-CB 3.23Å; R575-L579 WeakPolarHBondContact O-CB 3.37Å; R575-L579 WeakPolarHBondContact O-CD1 3.38Å; R575-L579 VanDerWaalsContact O-CG 3.29Å; R575-L579 WeakPolarHBondContact O-CG 3.06Å; R575-L579 PolarHBondContact O-N 3.38Å; H576-L579 CarbonylContact O-C 3.5Å; H576-L579 WeakPolarHBondContact O-CA 3.38Å; H576-L579 WeakPolarHBondContact O-CB 3.1Å; H576-L579 PolarHBondContact O-N 3.3Å; V577-L579 PolarHBondContact O-N 3.49Å; V577-L579 VanDerWaalsContact O-N 3.15Å; L579-L598 HydrophobicContact CD1-CD1 4.48Å; L579-L598 HydrophobicContact CD1-CD2 4.09Å; L579-L598 HydrophobicContact CD2-CD1 4Å; L579-L598 HydrophobicContact CD2-CD2 3.47Å; L579-L598 VanDerWaalsContact CD2-CD2 3.47Å; L579-L598 HydrophobicContact CD2-CG 3.62Å; L579-L598 HydrophobicContact CG-CD2 3.6Å; L579-L598 HydrophobicContact CG-CG 4.28Å
580R70.5Confident69.6Low197 Ų19789.8 Ų89.874%0.74345%0.446SS*.Hα-helixtrans-136.4-17.2-166.5-70.4-64.2-174144.3-5.5114.9H576 V577H576-R580 WeakPolarHBondContact O-CB 3.34Å; H576-R580 PolarHBondContact O-N 2.84Å; V577-R580 PolarHBondContact O-N 3.28Å
581H71.9Confident69.1Low40 Ų4091.5 Ų91.519%0.18546%0.456CS..THydrogen-bonded Turntrans-140.9-17.8-163.6-65.4-51.7000115.5C560 K562 C563 H576 V577C560-H581 PolarHBondContact SG-CD2 2.85Å; K562-H581 HydrophobicContact CB-CB 4.28Å; K562-H581 VanDerWaalsContact CB-ND1 3.34Å; K562-H581 WeakPolarHBondContact CB-ND1 3.38Å; K562-H581 HydrophobicContact CD-CB 3.89Å; K562-H581 HydrophobicContact CG-CB 4.35Å; K562-H581 PolarHBondContact NZ-O 3.24Å; K562-H581 PolarHBondContact O-CE1 3.32Å; C563-H581 PolarHBondContact SG-NE2 2.99Å; C563-H581 VanDerWaalsContact SG-NE2 3.42Å; H576-H581 AromaticContact CE1-CD2 3.66Å; H576-H581 AromaticContact CE1-NE2 3.39Å; H576-H581 PolarHBondContact CE1-NE2 3.44Å; H576-H581 AromaticContact NE2-CD2 3.39Å; H576-H581 PolarHBondContact NE2-CD2 2.73Å; H576-H581 AromaticContact NE2-NE2 3.28Å; H576-H581 PolarHBondContact NE2-NE2 3.07Å; V577-H581 HydrophobicContact CG1-CB 4.27Å; V577-H581 CarbonylContact O-C 3.59Å; V577-H581 WeakPolarHBondContact O-CA 3.44Å; V577-H581 PolarHBondContact O-N 3.22Å
582R56.3Low68.5Low163 Ų16391.6 Ų91.662%0.61546%0.458SS*.  trans-106.3114.1172.5-141.9177-159-162.63.7107.7V577 I584V577-R582 HydrophobicContact CG1-CB 4.18Å; V577-R582 PolarHBondContact O-N 3.01Å; R582-I584 HydrophobicContact CB-CG1 4.43Å; R582-I584 PolarHBondContact O-N 3.49Å
583C39.9Very low68.3Low131 Ų13193.2 Ų93.289%0.88547%0.465SS*.  trans-63.787.9158.2-59.30000106.7K585C583-K585 PolarHBondContact O-N 2.79Å
584I44.5Very low67.7Low98 Ų9899 Ų9950%0.50349%0.491SS..  trans-65.3116.8168.1-66.5179.3000105.2N578 R582 S586N578-I584 HydrophobicContact CB-CD1 3.74Å; R582-I584 HydrophobicContact CB-CG1 4.43Å; R582-I584 PolarHBondContact O-N 3.49Å; I584-S586 PolarHBondContact O-N 3.38Å
585K40.9Very low67.4Low194 Ų19496 Ų9684%0.84348%0.483SS*.  trans-42.8134.3175.1-66.3-173.5175.4-172.20109.2C583C583-K585 PolarHBondContact O-N 2.79Å
586S45.5Very low67.7Low83 Ų8394.7 Ų94.758%0.5849%0.488SS*.SBendtrans-36.5141.4-175.1380000114.5I584I584-S586 PolarHBondContact O-N 3.38Å
587N60.3Low67.5Low145 Ų14596.2 Ų96.278%0.77549%0.494SS*.SBendtrans166.5-9144.2-85.2-15.3000114.4I589N587-I589 VanDerWaalsContact C-N 3.32Å
588N78.3Confident67.3Low51 Ų5199.6 Ų99.627%0.27351%0.511SS..SBendtrans-97.533.5169.2-68.1-59.3000112.5F597 L600N588-F597 HydrophobicContact CB-CB 4.36Å; N588-F597 WeakPolarHBondContact CB-O 3.3Å; N588-F597 WeakPolarHBondContact O-CB 3.02Å; N588-F597 PolarHBondContact O-N 2.8Å; N588-L600 PolarHBondContact OD1-N 3.21Å
589I78.1Confident67.4Low61 Ų61100.7 Ų100.731%0.31352%0.516SS..BIsolated β-bridgetrans-84.5139.4174.1-64.9167.9000107.9N587 P591 Q594 L596N587-I589 VanDerWaalsContact C-N 3.32Å; I589-P591 WeakPolarHBondContact O-CD 3.47Å; I589-Q594 HydrophobicContact CG2-CB 4.32Å; I589-L596 HydrophobicContact CD1-CD2 4.12Å; I589-L596 HydrophobicContact CG1-CD2 3.47Å; I589-L596 VanDerWaalsContact CG1-CD2 3.47Å; I589-L596 HydrophobicContact CG1-CG 4.13Å
590C74.7Confident68Low0 Ų0101.8 Ų101.80%052%0.522CS..  trans-74.8113.3168.21760000110.5I592 C593 Q594 T595 F597 L603 H606 M607 H610C590-I592 PolarHBondContact O-N 3.49Å; C590-I592 PolarHBondContact SG-N 3.27Å; C590-I592 VanDerWaalsContact SG-N 3.39Å; C590-C593 PolarHBondContact O-N 2.79Å; C590-Q594 WeakPolarHBondContact O-CA 3.25Å; C590-Q594 PolarHBondContact O-N 2.9Å; C590-T595 PolarHBondContact N-O 2.82Å; C590-F597 HydrophobicContact CB-CD2 4.47Å; C590-F597 HydrophobicContact CB-CE2 3.89Å; C590-L603 HydrophobicContact CB-CD1 3.78Å; C590-H606 WeakPolarHBondContact CB-NE2 3.23Å; C590-H606 PolarHBondContact SG-NE2 3.47Å; C590-M607 HydrophobicContact CB-CE 4.17Å; C590-M607 WeakPolarHBondContact SG-CE 3.46Å; C590-H610 VanDerWaalsContact SG-CD2 3.55Å; C590-H610 PolarHBondContact SG-NE2 3.33Å; C590-H610 VanDerWaalsContact SG-NE2 3.38Å
591P71.6Confident68.4Low108 Ų10896.4 Ų96.470%0.70152%0.515SS*.THydrogen-bonded Turntrans-56.7-16.917517.3-33000115.5I589 M607I589-P591 WeakPolarHBondContact O-CD 3.47Å; P591-M607 HydrophobicContact CG-CE 3.62Å
592I68.7Low68.9Low108 Ų10895.5 Ų95.555%0.55451%0.514SS*.THydrogen-bonded Turntrans-93.2-30.4-174.8-52.6173.7000112.9C590 M607 H610C590-I592 PolarHBondContact O-N 3.49Å; C590-I592 PolarHBondContact SG-N 3.27Å; C590-I592 VanDerWaalsContact SG-N 3.39Å; I592-M607 HydrophobicContact CD1-CE 4.34Å; I592-M607 HydrophobicContact CD1-SD 3.8Å; I592-M607 HydrophobicContact CG1-CE 4.36Å; I592-M607 HydrophobicContact CG1-SD 4.43Å; I592-H610 HydrophobicContact CD1-CB 3.65Å; I592-H610 VanDerWaalsContact CG2-CE1 3.48Å; I592-H610 WeakPolarHBondContact CG2-CE1 3.35Å; I592-H610 VanDerWaalsContact CG2-ND1 3.35Å; I592-H610 WeakPolarHBondContact CG2-ND1 3.48Å
593C80.9Confident70.2Confident54 Ų5488.6 Ų88.637%0.36549%0.489SS..THydrogen-bonded Turntrans-136.811177.968.80000114.6C590 T595 H606 H610C590-C593 PolarHBondContact O-N 2.79Å; C593-T595 PolarHBondContact O-N 3.39Å; C593-T595 PolarHBondContact SG-OG1 3.32Å; C593-H606 PolarHBondContact SG-CE1 2.77Å; C593-H606 PolarHBondContact SG-NE2 2.94Å; C593-H610 PolarHBondContact SG-NE2 3.36Å
594Q72.9Confident72.1Confident155 Ų15589.2 Ų89.272%0.72448%0.477SS*.  trans56.59.1177.8-58.7-180-2.100116.4I589 C590 L596I589-Q594 HydrophobicContact CG2-CB 4.32Å; C590-Q594 WeakPolarHBondContact O-CA 3.25Å; C590-Q594 PolarHBondContact O-N 2.9Å; Q594-L596 PolarHBondContact O-N 3.2Å
595T75.6Confident73.4Confident62 Ų6292.6 Ų92.638%0.3848%0.483SS..  trans-67.7137177.255.10000111.6C590 C593 F597 H606C590-T595 PolarHBondContact N-O 2.82Å; C593-T595 PolarHBondContact O-N 3.39Å; C593-T595 PolarHBondContact SG-OG1 3.32Å; T595-F597 VanDerWaalsContact O-CD2 3.25Å; T595-F597 WeakPolarHBondContact O-CD2 3.47Å; T595-F597 WeakPolarHBondContact O-CE2 3.49Å; T595-F597 WeakPolarHBondContact OG1-CE2 3.49Å; T595-F597 VanDerWaalsContact OG1-CZ 3.23Å; T595-F597 WeakPolarHBondContact OG1-CZ 3.46Å; T595-H606 PolarHBondContact OG1-NE2 3.16Å
596L80.5Confident75.4Confident134 Ų13484.6 Ų84.670%0.70245%0.449SS*.BIsolated β-bridgetrans-85.4128.1-177.4-80.1153.8000111.3I589 Q594I589-L596 HydrophobicContact CD1-CD2 4.12Å; I589-L596 HydrophobicContact CG1-CD2 3.47Å; I589-L596 VanDerWaalsContact CG1-CD2 3.47Å; I589-L596 HydrophobicContact CG1-CG 4.13Å; Q594-L596 PolarHBondContact O-N 3.2Å
597F82.3Confident76.7Confident46 Ų4683.1 Ų83.120%0.20243%0.433CS..  trans-111.7140.5179.1-68.3-81.8000113.8N588 C590 T595 N599 A602 L603 H606N588-F597 HydrophobicContact CB-CB 4.36Å; N588-F597 WeakPolarHBondContact CB-O 3.3Å; N588-F597 WeakPolarHBondContact O-CB 3.02Å; N588-F597 PolarHBondContact O-N 2.8Å; C590-F597 HydrophobicContact CB-CD2 4.47Å; C590-F597 HydrophobicContact CB-CE2 3.89Å; T595-F597 VanDerWaalsContact O-CD2 3.25Å; T595-F597 WeakPolarHBondContact O-CD2 3.47Å; T595-F597 WeakPolarHBondContact O-CE2 3.49Å; T595-F597 WeakPolarHBondContact OG1-CE2 3.49Å; T595-F597 VanDerWaalsContact OG1-CZ 3.23Å; T595-F597 WeakPolarHBondContact OG1-CZ 3.46Å; F597-N599 PolarHBondContact O-N 3.12Å; F597-N599 VanDerWaalsContact O-N 3.13Å; F597-A602 HydrophobicContact CB-CB 4.26Å; F597-A602 HydrophobicContact CD1-CB 3.94Å; F597-L603 HydrophobicContact CB-CB 3.88Å; F597-L603 HydrophobicContact CD2-CB 4Å; F597-L603 HydrophobicContact CD2-CD1 3.64Å; F597-L603 HydrophobicContact CD2-CG 4.41Å; F597-L603 HydrophobicContact CE2-CD1 4.07Å; F597-L603 HydrophobicContact CG-CB 3.95Å; F597-L603 HydrophobicContact CG-CD1 4.44Å; F597-H606 HydrophobicContact CD1-CB 4.31Å; F597-H606 HydrophobicContact CE1-CB 3.52Å; F597-H606 AromaticContact CE1-CG 3.73Å; F597-H606 HydrophobicContact CE2-CB 4.03Å; F597-H606 AromaticContact CE2-CD2 3.26Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.35Å; F597-H606 AromaticContact CE2-CG 3.59Å; F597-H606 AromaticContact CE2-NE2 3.75Å; F597-H606 HydrophobicContact CZ-CB 3.39Å; F597-H606 AromaticContact CZ-CD2 3.26Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.21Å; F597-H606 AromaticContact CZ-CE1 3.84Å; F597-H606 AromaticContact CZ-CG 3.05Å; F597-H606 AromaticContact CZ-ND1 3.47Å; F597-H606 WeakPolarHBondContact CZ-ND1 3.3Å; F597-H606 AromaticContact CZ-NE2 3.73Å
598L75.3Confident77.2Confident111 Ų11179.3 Ų79.358%0.58141%0.413SS*.SBendtrans-50.1-33.6172.9-90.7168.3000115.3L579L579-L598 HydrophobicContact CD1-CD1 4.48Å; L579-L598 HydrophobicContact CD1-CD2 4.09Å; L579-L598 HydrophobicContact CD2-CD1 4Å; L579-L598 HydrophobicContact CD2-CD2 3.47Å; L579-L598 VanDerWaalsContact CD2-CD2 3.47Å; L579-L598 HydrophobicContact CD2-CG 3.62Å; L579-L598 HydrophobicContact CG-CD2 3.6Å; L579-L598 HydrophobicContact CG-CG 4.28Å
599N79.6Confident76.9Confident77 Ų7781.4 Ų81.441%0.41242%0.423SS..SBendtrans-166.3164.8-179.955.645.9000111.1F597 S601 A602 L603F597-N599 PolarHBondContact O-N 3.12Å; F597-N599 VanDerWaalsContact O-N 3.13Å; N599-S601 PolarHBondContact O-N 3.17Å; N599-S601 VanDerWaalsContact O-N 3.11Å; N599-S601 PolarHBondContact OD1-N 2.8Å; N599-A602 PolarHBondContact O-N 3.27Å; N599-A602 WeakPolarHBondContact OD1-CB 3.23Å; N599-A602 PolarHBondContact OD1-N 3.41Å; N599-L603 PolarHBondContact O-N 3.19Å
600L79.1Confident76.6Confident119 Ų11981.4 Ų81.462%0.62342%0.422SS*.Hα-helixtrans-55.2-29.4178.7-152.880.7000113.5N588 L603 K604N588-L600 PolarHBondContact OD1-N 3.21Å; L600-L603 HydrophobicContact CD1-CD2 4.25Å; L600-K604 WeakPolarHBondContact O-CB 3.36Å; L600-K604 PolarHBondContact O-N 2.85Å
601S80.4Confident76.2Confident85 Ų8583.7 Ų83.759%0.59444%0.438SS*.Hα-helixtrans-77.4-23177.5-620000114N599 R605N599-S601 PolarHBondContact O-N 3.17Å; N599-S601 VanDerWaalsContact O-N 3.11Å; N599-S601 PolarHBondContact OD1-N 2.8Å; S601-R605 PolarHBondContact O-N 2.44Å
602A80.7Confident75.1Confident20 Ų2084 Ų8417%0.16544%0.443CS..Hα-helixtrans-82.4-44.217000000110F597 N599 K604 R605 H606F597-A602 HydrophobicContact CB-CB 4.26Å; F597-A602 HydrophobicContact CD1-CB 3.94Å; N599-A602 PolarHBondContact O-N 3.27Å; N599-A602 WeakPolarHBondContact OD1-CB 3.23Å; N599-A602 PolarHBondContact OD1-N 3.41Å; A602-K604 VanDerWaalsContact C-N 3.3Å; A602-K604 PolarHBondContact O-N 3.17Å; A602-R605 PolarHBondContact O-N 3.44Å; A602-H606 WeakPolarHBondContact O-CB 3.23Å; A602-H606 PolarHBondContact O-N 3.08Å
603L85.1Confident74.3Confident18 Ų1885.1 Ų85.19%0.09445%0.446CS..Hα-helixtrans-54.4-46170.6174.658.6000111.2C590 F597 N599 L600 H606 M607C590-L603 HydrophobicContact CB-CD1 3.78Å; F597-L603 HydrophobicContact CB-CB 3.88Å; F597-L603 HydrophobicContact CD2-CB 4Å; F597-L603 HydrophobicContact CD2-CD1 3.64Å; F597-L603 HydrophobicContact CD2-CG 4.41Å; F597-L603 HydrophobicContact CE2-CD1 4.07Å; F597-L603 HydrophobicContact CG-CB 3.95Å; F597-L603 HydrophobicContact CG-CD1 4.44Å; N599-L603 PolarHBondContact O-N 3.19Å; L600-L603 HydrophobicContact CD1-CD2 4.25Å; L603-H606 CarbonylContact O-C 3.52Å; L603-H606 WeakPolarHBondContact O-CB 3.35Å; L603-H606 PolarHBondContact O-N 3.41Å; L603-H606 VanDerWaalsContact O-N 3.13Å; L603-M607 HydrophobicContact CD1-CE 4.06Å; L603-M607 HydrophobicContact CD1-CG 4.25Å; L603-M607 WeakPolarHBondContact O-CG 3.37Å; L603-M607 PolarHBondContact O-N 3.44Å
604K78.4Confident73.8Confident144 Ų14487.4 Ų87.463%0.62645%0.446SS*.Hα-helixtrans-62-46.7178.2-174.4169.7-177.6173.70112.7L600 A602 H606 M607 D608L600-K604 WeakPolarHBondContact O-CB 3.36Å; L600-K604 PolarHBondContact O-N 2.85Å; A602-K604 VanDerWaalsContact C-N 3.3Å; A602-K604 PolarHBondContact O-N 3.17Å; K604-H606 PolarHBondContact O-N 3.13Å; K604-M607 WeakPolarHBondContact O-CB 3.21Å; K604-M607 PolarHBondContact O-N 2.79Å; K604-M607 VanDerWaalsContact O-N 3.09Å; K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.17Å
605R73.3Confident74Confident170 Ų17085.2 Ų85.264%0.64244%0.439SS*.Hα-helixtrans-61.5-25174.5-111.1-174.9-56.3135.710.9113.8S601 A602 D608S601-R605 PolarHBondContact O-N 2.44Å; A602-R605 PolarHBondContact O-N 3.44Å; R605-D608 WeakPolarHBondContact CA-OD2 3.36Å
606H81.2Confident74.2Confident26 Ų2684.4 Ų84.412%0.1243%0.43CS..Hα-helixtrans-85.4-34.1174.4165.380.3000111.9C590 C593 T595 F597 A602 L603 K604 D608 I609 H610C590-H606 WeakPolarHBondContact CB-NE2 3.23Å; C590-H606 PolarHBondContact SG-NE2 3.47Å; C593-H606 PolarHBondContact SG-CE1 2.77Å; C593-H606 PolarHBondContact SG-NE2 2.94Å; T595-H606 PolarHBondContact OG1-NE2 3.16Å; F597-H606 HydrophobicContact CD1-CB 4.31Å; F597-H606 HydrophobicContact CE1-CB 3.52Å; F597-H606 AromaticContact CE1-CG 3.73Å; F597-H606 HydrophobicContact CE2-CB 4.03Å; F597-H606 AromaticContact CE2-CD2 3.26Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.35Å; F597-H606 AromaticContact CE2-CG 3.59Å; F597-H606 AromaticContact CE2-NE2 3.75Å; F597-H606 HydrophobicContact CZ-CB 3.39Å; F597-H606 AromaticContact CZ-CD2 3.26Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.21Å; F597-H606 AromaticContact CZ-CE1 3.84Å; F597-H606 AromaticContact CZ-CG 3.05Å; F597-H606 AromaticContact CZ-ND1 3.47Å; F597-H606 WeakPolarHBondContact CZ-ND1 3.3Å; F597-H606 AromaticContact CZ-NE2 3.73Å; A602-H606 WeakPolarHBondContact O-CB 3.23Å; A602-H606 PolarHBondContact O-N 3.08Å; L603-H606 CarbonylContact O-C 3.52Å; L603-H606 WeakPolarHBondContact O-CB 3.35Å; L603-H606 PolarHBondContact O-N 3.41Å; L603-H606 VanDerWaalsContact O-N 3.13Å; K604-H606 PolarHBondContact O-N 3.13Å; H606-D608 PolarHBondContact O-N 3.42Å; H606-I609 WeakPolarHBondContact O-CA 3.31Å; H606-I609 WeakPolarHBondContact O-CB 3.24Å; H606-I609 PolarHBondContact O-N 2.99Å; H606-H610 AromaticContact CD2-CD2 3.96Å; H606-H610 AromaticContact CE1-CD2 3.9Å; H606-H610 AromaticContact CE1-NE2 3.43Å; H606-H610 PolarHBondContact CE1-NE2 3.45Å; H606-H610 AromaticContact NE2-CD2 3.44Å; H606-H610 PolarHBondContact NE2-CD2 2.58Å; H606-H610 AromaticContact NE2-NE2 3.09Å; H606-H610 PolarHBondContact NE2-NE2 3.49Å; H606-H610 PolarHBondContact O-N 3.15Å
607M73.7Confident74.3Confident51 Ų5181.3 Ų81.325%0.25142%0.42SS..Hα-helixtrans-61-32.3167.4-75.2-66.8178.700112C590 P591 I592 L603 K604 I609 H610 S611C590-M607 HydrophobicContact CB-CE 4.17Å; C590-M607 WeakPolarHBondContact SG-CE 3.46Å; P591-M607 HydrophobicContact CG-CE 3.62Å; I592-M607 HydrophobicContact CD1-CE 4.34Å; I592-M607 HydrophobicContact CD1-SD 3.8Å; I592-M607 HydrophobicContact CG1-CE 4.36Å; I592-M607 HydrophobicContact CG1-SD 4.43Å; L603-M607 HydrophobicContact CD1-CE 4.06Å; L603-M607 HydrophobicContact CD1-CG 4.25Å; L603-M607 WeakPolarHBondContact O-CG 3.37Å; L603-M607 PolarHBondContact O-N 3.44Å; K604-M607 WeakPolarHBondContact O-CB 3.21Å; K604-M607 PolarHBondContact O-N 2.79Å; K604-M607 VanDerWaalsContact O-N 3.09Å; M607-I609 PolarHBondContact O-N 3.43Å; M607-I609 VanDerWaalsContact O-N 3.15Å; M607-H610 PolarHBondContact O-N 2.87Å; M607-S611 PolarHBondContact O-N 2.94Å
608D71.1Confident74.1Confident65 Ų6579.1 Ų79.135%0.34841%0.411SS..Hα-helixtrans-63.6-12.2169.4-57.9-36.6000113.2K604 R605 H606 S611K604-D608 VanDerWaalsContact O-CG 3.24Å; K604-D608 PolarHBondContact O-N 3.17Å; R605-D608 WeakPolarHBondContact CA-OD2 3.36Å; H606-D608 PolarHBondContact O-N 3.42Å; D608-S611 PolarHBondContact O-OG 2.97Å
609I72.3Confident74.5Confident95 Ų9582.1 Ų82.149%0.48742%0.415SS..Hα-helixtrans-86-34170.8-52.3175000110.3H606 M607 R614H606-I609 WeakPolarHBondContact O-CA 3.31Å; H606-I609 WeakPolarHBondContact O-CB 3.24Å; H606-I609 PolarHBondContact O-N 2.99Å; M607-I609 PolarHBondContact O-N 3.43Å; M607-I609 VanDerWaalsContact O-N 3.15Å; I609-R614 VanDerWaalsContact CG2-NH2 3.32Å; I609-R614 PolarHBondContact O-NH2 2.83Å
610H71.5Confident74.6Confident61 Ų6182 Ų8228%0.28241%0.414SS..Hα-helixtrans-80.3-24.6177.9-73.9-65.7000114.1C590 I592 C593 H606 M607 S612C590-H610 VanDerWaalsContact SG-CD2 3.55Å; C590-H610 PolarHBondContact SG-NE2 3.33Å; C590-H610 VanDerWaalsContact SG-NE2 3.38Å; I592-H610 HydrophobicContact CD1-CB 3.65Å; I592-H610 VanDerWaalsContact CG2-CE1 3.48Å; I592-H610 WeakPolarHBondContact CG2-CE1 3.35Å; I592-H610 VanDerWaalsContact CG2-ND1 3.35Å; I592-H610 WeakPolarHBondContact CG2-ND1 3.48Å; C593-H610 PolarHBondContact SG-NE2 3.36Å; H606-H610 AromaticContact CD2-CD2 3.96Å; H606-H610 AromaticContact CE1-CD2 3.9Å; H606-H610 AromaticContact CE1-NE2 3.43Å; H606-H610 PolarHBondContact CE1-NE2 3.45Å; H606-H610 AromaticContact NE2-CD2 3.44Å; H606-H610 PolarHBondContact NE2-CD2 2.58Å; H606-H610 AromaticContact NE2-NE2 3.09Å; H606-H610 PolarHBondContact NE2-NE2 3.49Å; H606-H610 PolarHBondContact O-N 3.15Å; M607-H610 PolarHBondContact O-N 2.87Å; H610-S612 PolarHBondContact O-N 3.28Å
611S65.7Low74.9Confident48 Ų4878 Ų7834%0.33640%0.395SS..SBendtrans-63.8119.217354.50000110M607 D608 E613M607-S611 PolarHBondContact O-N 2.94Å; D608-S611 PolarHBondContact O-OG 2.97Å; S611-E613 PolarHBondContact O-N 2.89Å; S611-E613 VanDerWaalsContact O-N 3.14Å
612S47.8Very low74.7Confident116 Ų11680.1 Ų80.181%0.81140%0.396SS*.  trans-74.2-1.8-166.4420000114.7H610 R614H610-S612 PolarHBondContact O-N 3.28Å; S612-R614 VanDerWaalsContact C-N 3.31Å; S612-R614 PolarHBondContact O-N 3.09Å
613E52.7Low74.7Confident131 Ų13185.1 Ų85.161%0.61241%0.414SS*.  trans-84.663.3-176.9-63.7-176.4177.800112.7S611 L615S611-E613 PolarHBondContact O-N 2.89Å; S611-E613 VanDerWaalsContact O-N 3.14Å; E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 2.77Å
614R70Confident74.3Confident101 Ų10191.9 Ų91.938%0.38144%0.438SS..  trans-89.476.6166.5-59.4-172-166.6156.410.1110.2I609 S612 F616 R624 F625I609-R614 VanDerWaalsContact CG2-NH2 3.32Å; I609-R614 PolarHBondContact O-NH2 2.83Å; S612-R614 VanDerWaalsContact C-N 3.31Å; S612-R614 PolarHBondContact O-N 3.09Å; R614-F616 VanDerWaalsContact C-N 3.34Å; R614-F616 PolarHBondContact O-N 3.27Å; R614-R624 HydrophobicContact CB-CB 3.72Å; R614-R624 PolarHBondContact O-NE 3.09Å; R614-R624 VanDerWaalsContact O-NE 3.11Å; R614-R624 PolarHBondContact O-NH2 3.41Å; R614-F625 CarbonylContact C-O 3.54Å
615L78.2Confident74.5Confident110 Ų11087 Ų8758%0.57642%0.417SS*.  trans-64.5-29.3-172.2-62.4173.4000114.3E613 F625E613-L615 VanDerWaalsContact C-N 3.35Å; E613-L615 PolarHBondContact O-N 2.77Å; L615-F625 PolarHBondContact N-O 2.76Å
616F79.3Confident74.6Confident44 Ų4482 Ų8219%0.19340%0.401CS..EExtended strand (participates in β ladder)trans-110.7105.9-170.7-56.6-80.2000112.1L339 R614 R624 F625 L628 C631L339-F616 HydrophobicContact CD2-CE1 4.11Å; R614-F616 VanDerWaalsContact C-N 3.34Å; R614-F616 PolarHBondContact O-N 3.27Å; F616-R624 CarbonylContact O-C 3.51Å; F616-R624 WeakPolarHBondContact O-CA 3.43Å; F616-F625 HydrophobicContact CB-CB 4.49Å; F616-F625 PolarHBondContact N-O 2.78Å; F616-F625 PolarHBondContact O-N 2.85Å; F616-L628 HydrophobicContact CD1-CB 3.96Å; F616-L628 HydrophobicContact CD1-CD1 3.86Å; F616-L628 HydrophobicContact CD1-CG 4.45Å; F616-L628 HydrophobicContact CD2-CB 4.28Å; F616-L628 VanDerWaalsContact CD2-N 3.27Å; F616-L628 HydrophobicContact CE1-CB 3.84Å; F616-L628 HydrophobicContact CE1-CD1 4.2Å; F616-L628 HydrophobicContact CE1-CG 4.42Å; F616-L628 HydrophobicContact CE2-CB 4.17Å; F616-L628 HydrophobicContact CG-CB 4.18Å; F616-L628 HydrophobicContact CG-CD1 4.49Å; F616-L628 HydrophobicContact CZ-CB 3.95Å; F616-C631 HydrophobicContact CB-CB 4.13Å
617S81.9Confident74.6Confident70 Ų7086.5 Ų86.549%0.4942%0.42SS..EExtended strand (participates in β ladder)trans-79.3151.916645.30000111.5K623 C631S617-K623 CarbonylContact C-O 3.54Å; S617-K623 WeakPolarHBondContact CA-O 3.15Å; S617-C631 PolarHBondContact O-SG 3.38Å
618C79.2Confident75.1Confident0 Ų087.3 Ų87.30%043%0.425CS..  trans-84.7125.8160.3175.80000109I620 H622 K623 F625 H634 L635C618-I620 PolarHBondContact O-N 3.17Å; C618-I620 PolarHBondContact SG-N 2.76Å; C618-I620 VanDerWaalsContact SG-N 3.38Å; C618-H622 WeakPolarHBondContact O-CA 3.4Å; C618-H622 PolarHBondContact O-N 3.2Å; C618-K623 PolarHBondContact N-O 3.01Å; C618-F625 HydrophobicContact CB-CE2 4.19Å; C618-H634 VanDerWaalsContact CB-CD2 3.45Å; C618-H634 WeakPolarHBondContact CB-CD2 3.39Å; C618-H634 WeakPolarHBondContact CB-NE2 3.31Å; C618-H634 VanDerWaalsContact SG-CD2 3.58Å; C618-H634 PolarHBondContact SG-NE2 3.39Å; C618-L635 WeakPolarHBondContact SG-CD2 3.43Å
619Y83.6Confident75.7Confident173 Ų17391 Ų9168%0.67844%0.44SS*.THydrogen-bonded Turntrans-70.3-11.6178.467.3-92.8000114.1L635Y619-L635 HydrophobicContact CD1-CD2 4.06Å; Y619-L635 HydrophobicContact CE1-CD1 4.26Å; Y619-L635 HydrophobicContact CE1-CD2 3.62Å
620I81.3Confident76.4Confident75 Ų7589 Ų8939%0.38543%0.434SS..THydrogen-bonded Turntrans-95.8-21.8-176.8-47.2175.2000112.7C618 L635 H638C618-I620 PolarHBondContact O-N 3.17Å; C618-I620 PolarHBondContact SG-N 2.76Å; C618-I620 VanDerWaalsContact SG-N 3.38Å; I620-L635 HydrophobicContact CD1-CD2 3.67Å; I620-L635 HydrophobicContact CG1-CD2 4.01Å; I620-H638 HydrophobicContact CD1-CB 3.56Å; I620-H638 HydrophobicContact CG2-CB 4.33Å; I620-H638 VanDerWaalsContact CG2-ND1 3.33Å; I620-H638 WeakPolarHBondContact CG2-ND1 3.29Å
621C86.2Confident77Confident34 Ų3486.3 Ų86.323%0.2342%0.423CS..THydrogen-bonded Turntrans-147.412.9174.575.10000115.1K623 H634 H638C621-K623 PolarHBondContact O-N 3.06Å; C621-H634 PolarHBondContact SG-CE1 2.8Å; C621-H634 PolarHBondContact SG-NE2 3.47Å; C621-H638 PolarHBondContact SG-NE2 3.27Å
622H75.1Confident78Confident130 Ų13091.5 Ų91.560%0.60244%0.435SS*.  trans56.712.8176.1-52.6-85.8000116C618 R624C618-H622 WeakPolarHBondContact O-CA 3.4Å; C618-H622 PolarHBondContact O-N 3.2Å; H622-R624 PolarHBondContact O-N 3.05Å
623K81Confident79.7Confident125 Ų12592.5 Ų92.554%0.54343%0.425SS..  trans-61.1125.3170.6-76-178.6-178.5178.90110S617 C618 C621 F625S617-K623 CarbonylContact C-O 3.54Å; S617-K623 WeakPolarHBondContact CA-O 3.15Å; C618-K623 PolarHBondContact N-O 3.01Å; C621-K623 PolarHBondContact O-N 3.06Å; K623-F625 HydrophobicContact CB-CE2 3.78Å; K623-F625 HydrophobicContact CB-CZ 3.91Å; K623-F625 VanDerWaalsContact O-CD2 3.24Å; K623-F625 WeakPolarHBondContact O-CD2 3.47Å; K623-F625 WeakPolarHBondContact O-CE2 3.21Å
624R77.8Confident81.3Confident160 Ų16087.5 Ų87.560%0.60440%0.401SS*.EExtended strand (participates in β ladder)trans-94.1136.3-179.7-56.6-17874.5153.76.9111.4R614 F616 H622R614-R624 HydrophobicContact CB-CB 3.72Å; R614-R624 PolarHBondContact O-NE 3.09Å; R614-R624 VanDerWaalsContact O-NE 3.11Å; R614-R624 PolarHBondContact O-NH2 3.41Å; F616-R624 CarbonylContact O-C 3.51Å; F616-R624 WeakPolarHBondContact O-CA 3.43Å; H622-R624 PolarHBondContact O-N 3.05Å
625F82.1Confident82.1Confident42 Ų4284.7 Ų84.718%0.18439%0.393CS..EExtended strand (participates in β ladder)trans-125.6143.9-176.3-60.2-87000110.2R614 L615 F616 C618 K623 F627 C631 H634R614-F625 CarbonylContact C-O 3.54Å; L615-F625 PolarHBondContact N-O 2.76Å; F616-F625 HydrophobicContact CB-CB 4.49Å; F616-F625 PolarHBondContact N-O 2.78Å; F616-F625 PolarHBondContact O-N 2.85Å; C618-F625 HydrophobicContact CB-CE2 4.19Å; K623-F625 HydrophobicContact CB-CE2 3.78Å; K623-F625 HydrophobicContact CB-CZ 3.91Å; K623-F625 VanDerWaalsContact O-CD2 3.24Å; K623-F625 WeakPolarHBondContact O-CD2 3.47Å; K623-F625 WeakPolarHBondContact O-CE2 3.21Å; F625-F627 VanDerWaalsContact C-N 3.3Å; F625-C631 HydrophobicContact CB-CB 4.21Å; F625-C631 HydrophobicContact CD2-CB 3.62Å; F625-C631 HydrophobicContact CE2-CB 4.3Å; F625-C631 HydrophobicContact CG-CB 4.05Å; F625-H634 HydrophobicContact CE1-CB 4.07Å; F625-H634 HydrophobicContact CE2-CB 4.12Å; F625-H634 AromaticContact CE2-CD2 3.36Å; F625-H634 WeakPolarHBondContact CE2-CD2 3.33Å; F625-H634 AromaticContact CE2-CG 3.88Å; F625-H634 HydrophobicContact CZ-CB 3.51Å; F625-H634 AromaticContact CZ-CD2 3.35Å; F625-H634 WeakPolarHBondContact CZ-CD2 3.32Å; F625-H634 AromaticContact CZ-CG 3.39Å
626Q75.6Confident82.5Confident66 Ų6684.6 Ų84.631%0.30839%0.393SS..SBendtrans-69.5-27.2174.2-167.4-179.223.100112.6
627F81.6Confident82.5Confident119 Ų11987.5 Ų87.552%0.52241%0.41SS..SBendtrans-132.4136.6-175.8-53.6-70.4000111.9F625 H629 S630 C631F625-F627 VanDerWaalsContact C-N 3.3Å; F627-H629 PolarHBondContact O-N 2.78Å; F627-S630 WeakPolarHBondContact O-CB 3.39Å; F627-S630 PolarHBondContact O-N 3.3Å; F627-C631 PolarHBondContact O-N 3.19Å
628L82.9Confident82.4Confident69 Ų6986.1 Ų86.136%0.36140%0.396SS..Hα-helixtrans-54-35.7177.2-17961000113.2F616 S630 C631 R632F616-L628 HydrophobicContact CD1-CB 3.96Å; F616-L628 HydrophobicContact CD1-CD1 3.86Å; F616-L628 HydrophobicContact CD1-CG 4.45Å; F616-L628 HydrophobicContact CD2-CB 4.28Å; F616-L628 VanDerWaalsContact CD2-N 3.27Å; F616-L628 HydrophobicContact CE1-CB 3.84Å; F616-L628 HydrophobicContact CE1-CD1 4.2Å; F616-L628 HydrophobicContact CE1-CG 4.42Å; F616-L628 HydrophobicContact CE2-CB 4.17Å; F616-L628 HydrophobicContact CG-CB 4.18Å; F616-L628 HydrophobicContact CG-CD1 4.49Å; F616-L628 HydrophobicContact CZ-CB 3.95Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 3.05Å; L628-C631 PolarHBondContact O-N 3.26Å; L628-R632 HydrophobicContact CD1-CG 4.31Å; L628-R632 HydrophobicContact CG-CG 4.37Å; L628-R632 WeakPolarHBondContact O-CG 3.21Å; L628-R632 PolarHBondContact O-N 3.19Å
629H83.9Confident81.9Confident143 Ų14389.7 Ų89.766%0.66242%0.421SS*.Hα-helixtrans-63.3-35.9177.1-177.865.1000112.6F627 R632 K633F627-H629 PolarHBondContact O-N 2.78Å; H629-R632 PolarHBondContact O-N 3.27Å; H629-K633 WeakPolarHBondContact O-CB 3.44Å; H629-K633 PolarHBondContact O-N 3.06Å
630S86.7Confident80.6Confident52 Ų5287.7 Ų87.736%0.36442%0.421SS..Hα-helixtrans-69.1-40.2175.3-58.80000111.2F627 L628 K633 H634F627-S630 WeakPolarHBondContact O-CB 3.39Å; F627-S630 PolarHBondContact O-N 3.3Å; L628-S630 VanDerWaalsContact C-N 3.3Å; L628-S630 PolarHBondContact O-N 3.05Å; S630-K633 PolarHBondContact O-N 3.02Å; S630-H634 WeakPolarHBondContact O-CB 3.22Å; S630-H634 PolarHBondContact O-N 3.21Å; S630-H634 VanDerWaalsContact O-N 3.07Å
631C83.8Confident78.9Confident5 Ų589 Ų893%0.03443%0.432CS..Hα-helixtrans-62.2-48.7172.2-173.80000111.4F616 S617 F625 F627 L628 K633 H634 L635F616-C631 HydrophobicContact CB-CB 4.13Å; S617-C631 PolarHBondContact O-SG 3.38Å; F625-C631 HydrophobicContact CB-CB 4.21Å; F625-C631 HydrophobicContact CD2-CB 3.62Å; F625-C631 HydrophobicContact CE2-CB 4.3Å; F625-C631 HydrophobicContact CG-CB 4.05Å; F627-C631 PolarHBondContact O-N 3.19Å; L628-C631 PolarHBondContact O-N 3.26Å; C631-K633 PolarHBondContact O-N 3.13Å; C631-H634 CarbonylContact O-C 3.51Å; C631-H634 WeakPolarHBondContact O-CA 3.49Å; C631-H634 WeakPolarHBondContact O-CB 3.14Å; C631-H634 PolarHBondContact O-N 2.82Å; C631-L635 PolarHBondContact O-N 3.44Å
632R87.4Confident76.5Confident156 Ų15696.5 Ų96.559%0.58946%0.461SS*.Hα-helixtrans-58.9-43.3176.2-74.8-178.3175.2175-1.1113L628 H629 H634 L635 L636L628-R632 HydrophobicContact CD1-CG 4.31Å; L628-R632 HydrophobicContact CG-CG 4.37Å; L628-R632 WeakPolarHBondContact O-CG 3.21Å; L628-R632 PolarHBondContact O-N 3.19Å; H629-R632 PolarHBondContact O-N 3.27Å; R632-H634 PolarHBondContact O-N 2.94Å; R632-L635 PolarHBondContact O-N 3.3Å; R632-L636 PolarHBondContact O-N 3.01Å
633K84.6Confident74.4Confident138 Ų138102 Ų10260%0.648%0.477SS*.Hα-helixtrans-63.7-29.1175.5-171.9178.2179.2-174.80112.4H629 S630 C631H629-K633 WeakPolarHBondContact O-CB 3.44Å; H629-K633 PolarHBondContact O-N 3.06Å; S630-K633 PolarHBondContact O-N 3.02Å; C631-K633 PolarHBondContact O-N 3.13Å
634H86.2Confident71.9Confident26 Ų26101 Ų10112%0.1249%0.485CS..Hα-helixtrans-81.9-36.9174.9161.665.3000112.8C618 C621 F625 S630 C631 R632 L636 N637 H638C618-H634 VanDerWaalsContact CB-CD2 3.45Å; C618-H634 WeakPolarHBondContact CB-CD2 3.39Å; C618-H634 WeakPolarHBondContact CB-NE2 3.31Å; C618-H634 VanDerWaalsContact SG-CD2 3.58Å; C618-H634 PolarHBondContact SG-NE2 3.39Å; C621-H634 PolarHBondContact SG-CE1 2.8Å; C621-H634 PolarHBondContact SG-NE2 3.47Å; F625-H634 HydrophobicContact CE1-CB 4.07Å; F625-H634 HydrophobicContact CE2-CB 4.12Å; F625-H634 AromaticContact CE2-CD2 3.36Å; F625-H634 WeakPolarHBondContact CE2-CD2 3.33Å; F625-H634 AromaticContact CE2-CG 3.88Å; F625-H634 HydrophobicContact CZ-CB 3.51Å; F625-H634 AromaticContact CZ-CD2 3.35Å; F625-H634 WeakPolarHBondContact CZ-CD2 3.32Å; F625-H634 AromaticContact CZ-CG 3.39Å; S630-H634 WeakPolarHBondContact O-CB 3.22Å; S630-H634 PolarHBondContact O-N 3.21Å; S630-H634 VanDerWaalsContact O-N 3.07Å; C631-H634 CarbonylContact O-C 3.51Å; C631-H634 WeakPolarHBondContact O-CA 3.49Å; C631-H634 WeakPolarHBondContact O-CB 3.14Å; C631-H634 PolarHBondContact O-N 2.82Å; R632-H634 PolarHBondContact O-N 2.94Å; H634-L636 PolarHBondContact O-N 3.33Å; H634-N637 WeakPolarHBondContact O-CA 3.46Å; H634-N637 WeakPolarHBondContact O-CB 3.47Å; H634-N637 PolarHBondContact O-N 3.43Å; H634-H638 AromaticContact CE1-CD2 3.72Å; H634-H638 AromaticContact CE1-NE2 3.24Å; H634-H638 PolarHBondContact CE1-NE2 2.91Å; H634-H638 AromaticContact NE2-CD2 3.79Å; H634-H638 AromaticContact NE2-NE2 3.38Å; H634-H638 PolarHBondContact NE2-NE2 2.94Å; H634-H638 PolarHBondContact O-N 3.24Å
635L85.2Confident69.7Low41 Ų41102.9 Ų102.922%0.21550%0.498CS..Hα-helixtrans-59-35.8169.5-74.5167.4000111.8C618 Y619 I620 C631 R632 N637 H638 S639C618-L635 WeakPolarHBondContact SG-CD2 3.43Å; Y619-L635 HydrophobicContact CD1-CD2 4.06Å; Y619-L635 HydrophobicContact CE1-CD1 4.26Å; Y619-L635 HydrophobicContact CE1-CD2 3.62Å; I620-L635 HydrophobicContact CD1-CD2 3.67Å; I620-L635 HydrophobicContact CG1-CD2 4.01Å; C631-L635 PolarHBondContact O-N 3.44Å; R632-L635 PolarHBondContact O-N 3.3Å; L635-N637 PolarHBondContact O-N 3.22Å; L635-H638 WeakPolarHBondContact O-CA 3.4Å; L635-H638 WeakPolarHBondContact O-CB 3.38Å; L635-H638 PolarHBondContact O-N 2.84Å; L635-S639 PolarHBondContact O-N 2.96Å
636L86.9Confident67.4Low109 Ų109111.1 Ų111.157%0.57153%0.534SS*.Hα-helixtrans-58.8-25.7170.1-87.2153.7000113.7R632 H634 S639 I640R632-L636 PolarHBondContact O-N 3.01Å; H634-L636 PolarHBondContact O-N 3.33Å; L636-S639 PolarHBondContact O-OG 3.16Å; L636-I640 WeakPolarHBondContact O-CD1 3.33Å; L636-I640 WeakPolarHBondContact O-CG1 3.49Å
637N80.3Confident65.3Low104 Ų104117.3 Ų117.356%0.55656%0.562SS**Hα-helixtrans-77.5-26.1172.7-65-16.8000112.1H634 L635H634-N637 WeakPolarHBondContact O-CA 3.46Å; H634-N637 WeakPolarHBondContact O-CB 3.47Å; H634-N637 PolarHBondContact O-N 3.43Å; L635-N637 PolarHBondContact O-N 3.22Å
638H80.2Confident62.6Low42 Ų42121 Ų12119%0.19458%0.578CS.*Hα-helixtrans-77.2-31.1172.5-72.8-76.3000112.6I620 C621 H634 L635 I640 T641I620-H638 HydrophobicContact CD1-CB 3.56Å; I620-H638 HydrophobicContact CG2-CB 4.33Å; I620-H638 VanDerWaalsContact CG2-ND1 3.33Å; I620-H638 WeakPolarHBondContact CG2-ND1 3.29Å; C621-H638 PolarHBondContact SG-NE2 3.27Å; H634-H638 AromaticContact CE1-CD2 3.72Å; H634-H638 AromaticContact CE1-NE2 3.24Å; H634-H638 PolarHBondContact CE1-NE2 2.91Å; H634-H638 AromaticContact NE2-CD2 3.79Å; H634-H638 AromaticContact NE2-NE2 3.38Å; H634-H638 PolarHBondContact NE2-NE2 2.94Å; H634-H638 PolarHBondContact O-N 3.24Å; L635-H638 WeakPolarHBondContact O-CA 3.4Å; L635-H638 WeakPolarHBondContact O-CB 3.38Å; L635-H638 PolarHBondContact O-N 2.84Å; H638-I640 PolarHBondContact O-N 2.84Å; H638-T641 PolarHBondContact O-N 2.85Å; H638-T641 PolarHBondContact O-OG1 2.98Å
639S67.3Low60.3Low75 Ų75126.8 Ų126.852%0.52460%0.603SS.*Hα-helixtrans-66.7-26.7175.865.90000112.7L635 L636 T641L635-S639 PolarHBondContact O-N 2.96Å; L636-S639 PolarHBondContact O-OG 3.16Å; S639-T641 VanDerWaalsContact C-N 3.26Å; S639-T641 PolarHBondContact O-N 3.44Å
640I56.8Low57.5Low130 Ų130126.8 Ų126.867%0.66761%0.608SS**G310 helixtrans-68.5-23.1175.9-65.1167.1000112L636 H638L636-I640 WeakPolarHBondContact O-CD1 3.33Å; L636-I640 WeakPolarHBondContact O-CG1 3.49Å; H638-I640 PolarHBondContact O-N 2.84Å
641T45.9Very low54.5Low102 Ų102130.3 Ų130.363%0.62663%0.627SS**G310 helixtrans-91.54.3-176.851.20000115.4H638 S639H638-T641 PolarHBondContact O-N 2.85Å; H638-T641 PolarHBondContact O-OG1 2.98Å; S639-T641 VanDerWaalsContact C-N 3.26Å; S639-T641 PolarHBondContact O-N 3.44Å
642K36.2Very low51.9Low192 Ų192139.4 Ų139.484%0.83567%0.669SS**G310 helixtrans-103.65.8178.7-82-162.5173.6-170.10116.1
643R29.4Very low48.9Very low246 Ų246141.4 Ų141.493%0.92868%0.682SS**  trans-105.366.8174.7-80.1-171.3170.6-175.6-3.3113
644S28.7Very low46Very low104 Ų104143.3 Ų143.373%0.72770%0.698SS**  trans-159.943.317065.20000114.2
645K32.3Very low43.1Very low200 Ų200146.6 Ų146.687%0.8772%0.724SS**  trans-146.595.8165.5-75.9-163.1177.8-170.10110.9
646K34.5Very low40.3Very low215 Ų215153.3 Ų153.394%0.93575%0.754SS**  trans-157.6106.1144.3-104.6-170.8178.7-167.40106
647Q30.7Very low37.3Very low195 Ų195153.5 Ų153.591%0.91176%0.764SS**  trans-78165.5177.7-84.2160.3-72.400110.5
648K25Very low34.7Very low197 Ų197153.3 Ų153.386%0.85777%0.77SS**  trans-74.1140.3171.8-58.4168175.1178.70109.7
649H33.6Very low32Very low190 Ų190156.6 Ų156.688%0.8881%0.805SS**  trans-136.7168.5144.5-98.5-86.9000108.9
650N24.8Very low30.1Very low143 Ų143156.8 Ų156.877%0.76581%0.806SS**  trans-88.3147.1-153.7-79.7-24.7000116
651V25.3Very low28.7Very low127 Ų127158.4 Ų158.477%0.7782%0.816SS**  31.5105130-167.60000118.7
652Q28.1Very low27.7Very low195 Ų195161.9 Ų161.991%0.91183%0.827SS**  -163.8165.8110.4-112171.20.100110.9
653K24.4Very low27.4Very low199 Ų199159.3 Ų159.387%0.86583%0.827SS**  trans-86.1137.7-178.2-66.6173.3176.7175.90110.5
654L23.5Very low27.2Very low177 Ų177153.6 Ų153.693%0.92782%0.82SS**  trans-164.5154.9133-105.8152.3000109.3
655S26.5Very low26.8Very low95 Ų95155.7 Ų155.766%0.66482%0.821SS**  trans-106.7141.1-172.843.50000111.5
656E25Very low26.5Very low182 Ų182152.3 Ų152.385%0.8582%0.82SS**  trans74.8146.3159.3-63.7179.1169.900120.2
657S25.1Very low25.8Very low113 Ų113150.1 Ų150.179%0.7981%0.81SS**  trans76.5153.4172.976.50000119.8
658C24.5Very low25.4Very low101 Ų101150.1 Ų150.168%0.68280%0.804SS**  trans59.4116.6178.3-62.10000117.6
659A23.3Very low25.7Very low111 Ų111146.4 Ų146.492%0.91780%0.799SS**  cis67.935.11.600000117.6
660S27.6Very low25.1Very low79 Ų79143.1 Ų143.155%0.55279%0.793SS**  trans-159.394.7166.952.60000111.8
661D28.2Very low25.2Very low164 Ų164144.4 Ų144.488%0.87780%0.799SS**  trans-139.857158.3-93.8-32.6000107.4
662M24.4Very low24.8Very low174 Ų174146.3 Ų146.386%0.85780%0.799SS**  trans-91.497.3165.6-71.9-98.480.300106.8T664M662-T664 PolarHBondContact O-N 3.12Å
663V30.6Very low24.7Very low138 Ų138143.6 Ų143.684%0.83680%0.796SS**PPolyproline II helixtrans-62.9127.1169.5177.20000108
664T24.3Very low24.5Very low126 Ų126140.1 Ų140.177%0.77379%0.791SS**PPolyproline II helixtrans-67.3142.3-167.432.20000113.5M662M662-T664 PolarHBondContact O-N 3.12Å
665I20.7Very low24.5Very low148 Ų148138.5 Ų138.576%0.75978%0.782SS**PPolyproline II helixtrans-76.3126.5174.1-67.9162000109.3
666P25.8Very low24.3Very low129 Ų129141.3 Ų141.384%0.83879%0.788SS**PPolyproline II helixtrans-64.2137.3163-17.831.9000110.2
667K20.6Very low24.1Very low169 Ų169139 Ų13974%0.73578%0.782SS**  trans-119.4135.5-160.7-127.8-177.4-179.4-173.90110.8
668Y22.6Very low24Very low196 Ų196139.7 Ų139.777%0.76979%0.786SS**  trans68.8163165.9-69.3-82.3000118.8
669P30.9Very low23.9Very low118 Ų118142.2 Ų142.277%0.76679%0.792SS**  cis-118165.9-4.7176.5000116
670V21Very low23.8Very low122 Ų122141.4 Ų141.474%0.73978%0.779SS**  trans-77.2128.9167172.30000108.8
671L25.6Very low23.6Very low170 Ų170147.2 Ų147.289%0.8980%0.795SS**  trans-96.6129.7159.5-94.2167.3000109.1
672Q18.9Very low23.3Very low166 Ų166144.4 Ų144.478%0.77679%0.788SS**  trans-122.2107.5-176.3176.1-179.2-2.200107.7
673T25.5Very low23.2Very low139 Ų139146.4 Ų146.485%0.85379%0.786SS**  trans-137.9139.9165.232.60000110.1
674V20.1Very low22.9Very low126 Ų126146.1 Ų146.176%0.76478%0.78SS**  trans-108.3170.2-176.9-179.10000107.7
675I22.7Very low22.7Very low142 Ų142145.2 Ų145.273%0.72879%0.785SS**  trans123.1102152.3-63.9178.5000115.7
676I22.9Very low22.8Very low155 Ų155141.2 Ų141.280%0.79578%0.781SS**  trans72.2141.1135.7-61177.4000121.4
677D20Very low22.7Very low134 Ų134140.2 Ų140.272%0.71778%0.777SS**  trans-59.8158.4-179.9-61-79000116.2
678S24.6Very low22.7Very low126 Ų126138.2 Ų138.288%0.88178%0.783SS**  trans-144.5134.9148.2-78.10000110.2
679L20.9Very low22.9Very low154 Ų154134.6 Ų134.681%0.80679%0.786SS**  trans-82.2156-164.1-98.278.9000115
680S21.3Very low22.5Very low94 Ų94136.7 Ų136.766%0.65779%0.791SS**  trans-32.7142154.656.40000117.8
681K23.3Very low23.6Very low202 Ų202135.6 Ų135.688%0.87879%0.786SS**  trans-178.9152.1138.2-95.4154.9-173.6-177.90105.3
682S22.2Very low23.6Very low105 Ų105134.8 Ų134.873%0.73478%0.782SS**  cis-179.6166.5-6.750.70000104.9
683R22Very low23.8Very low215 Ų215132.5 Ų132.581%0.81178%0.779SS**  cis-166.9173.5-4.6-129-177.5175.7159.2-3.1107.4
684D24.5Very low23.8Very low133 Ų133131.8 Ų131.871%0.71178%0.775SS**  trans56.5124.5152.8-46.1-23.6000119
685A20.3Very low23.8Very low107 Ų107133 Ų13388%0.88478%0.783SS**  cis72.186.310.600000117.3
686G23.8Very low23.8Very low64 Ų64129.2 Ų129.266%0.6678%0.778SS**  trans-145.2120.6155.600000108.7
687S22.1Very low24Very low108 Ų108129.1 Ų129.176%0.75578%0.78SS**  70.196.791.165.40000113.3
688C20.9Very low24.1Very low127 Ų127131.4 Ų131.486%0.85878%0.783SS**  74.7101.688.1-70.40000114.8
689S26.6Very low24.1Very low120 Ų120131.7 Ų131.784%0.83977%0.773SS**  171.810913036.80000113.1
690D22.8Very low24.3Very low162 Ų162132.5 Ų132.587%0.86678%0.779SS**  48.2168.4126.7-88.3-18.6000123.5
691P44.7Very low24.4Very low98 Ų98133.2 Ų133.264%0.63678%0.779SS**  trans-112.4167.5-133.742.1-39000116.5
692N26Very low24.3Very low153 Ų153130 Ų13082%0.81878%0.776SS**  trans-162.7117133.5-98.4-32.7000115
693V22Very low24.4Very low118 Ų118132.1 Ų132.172%0.71577%0.774SS**  33.3145.3124.4-171.80000122.2
694T25.8Very low24.7Very low125 Ų125130.1 Ų130.177%0.76777%0.772SS**  trans7991.3161.531.60000122
695V20.2Very low24.4Very low152 Ų152127.7 Ų127.792%0.92176%0.764SS**  14.8116.6119.7-173.90000117.6
696G23.4Very low24.5Very low61 Ų61126.2 Ų126.263%0.62975%0.747SS**  trans-169.4113.3159.300000111.4
697D26.8Very low24.6Very low154 Ų154129.4 Ų129.482%0.82475%0.749SS**  trans58.1163.9153.3-56.6-24.9000120.5
698F22.4Very low24.7Very low181 Ų181131.4 Ų131.479%0.79474%0.741SS**  -152.4151.2-56-144.8-91000103.6N700F698-N700 PolarHBondContact O-N 2.86Å
699I23.2Very low24.7Very low132 Ų132128.5 Ų128.568%0.67772%0.716SS**  trans-51.1122.5176-66.2159000110.8T701I699-T701 VanDerWaalsContact CG2-OG1 3.23Å; I699-T701 WeakPolarHBondContact CG2-OG1 3.38Å
700N26.9Very low24.6Very low171 Ų171128 Ų12891%0.91471%0.705SS**  trans-119.5138.8148.5-105.6-21.6000109F698F698-N700 PolarHBondContact O-N 2.86Å
701T22.9Very low24.6Very low109 Ų109124.9 Ų124.967%0.66969%0.691SS**  trans-138.5142.5-171.3-14.80000109.2I699I699-T701 VanDerWaalsContact CG2-OG1 3.23Å; I699-T701 WeakPolarHBondContact CG2-OG1 3.38Å
702V21.5Very low23.5Very low134 Ų134122.2 Ų122.281%0.81268%0.682SS**  trans71.3114.4164.2-176.40000115.8
703E24.2Very low24.1Very low150 Ų150118.8 Ų118.870%0.70167%0.668SS**  -156.6157.8115.4-125.2-174-151.900114.2
704K27.6Very low24.1Very low174 Ų174119.7 Ų119.776%0.75767%0.669SS**  trans76.998.5160.2-70.8162.2-178.9148.40120.7
705C19.2Very low23.8Very low81 Ų81119.3 Ų119.355%0.54767%0.666SS.*  trans-61.1148.3132.5-59.10000108.9
706S22.2Very low24Very low76 Ų76120 Ų12053%0.53166%0.658SS.*  167.415079.444.40000106.3
707L25.8Very low23.9Very low132 Ų132127.1 Ų127.169%0.69167%0.665SS**  177.9142.982.3-99125.4000111.3S4S4-L707 PolarHBondContact OG-O 2.87Å
708Y22.9Very low23.7Very low149 Ų149123.8 Ų123.858%0.58465%0.654SS**  trans55.6116.6133.1-90.4-98.8000127.2S4 N5S4-Y708 CarbonylContact O-C 3.5Å; S4-Y708 VanDerWaalsContact O-C 3.28Å; S4-Y708 VanDerWaalsContact O-CA 3.24Å; S4-Y708 WeakPolarHBondContact O-CA 3.38Å; S4-Y708 PolarHBondContact O-N 2.81Å; S4-Y708 PolarHBondContact OG-O 3.3Å; N5-Y708 WeakPolarHBondContact ND2-CD1 3.29Å; N5-Y708 VanDerWaalsContact ND2-CD2 3.29Å; N5-Y708 WeakPolarHBondContact ND2-CD2 3.13Å; N5-Y708 WeakPolarHBondContact ND2-CE1 3.13Å; N5-Y708 VanDerWaalsContact ND2-CE2 3.3Å; N5-Y708 WeakPolarHBondContact ND2-CE2 3.42Å; N5-Y708 VanDerWaalsContact ND2-CG 3.26Å; N5-Y708 VanDerWaalsContact ND2-CZ 3.27Å; N5-Y708 WeakPolarHBondContact OD1-CA 3.42Å; N5-Y708 WeakPolarHBondContact OD1-CD2 3.25Å; N5-Y708 VanDerWaalsContact OD1-CE2 3.29Å; N5-Y708 WeakPolarHBondContact OD1-CE2 3.2Å; N5-Y708 PolarHBondContact OD1-N 2.86Å
709N21.3Very low23.7Very low66 Ų66123.1 Ų123.135%0.35366%0.659SS.*  trans-10.1132.2144.8-59.8-25.6000119D3 S4 N5D3-N709 PolarHBondContact O-OD1 3.06Å; S4-N709 PolarHBondContact O-N 3.33Å; S4-N709 PolarHBondContact O-OD1 3.19Å; S4-N709 PolarHBondContact OG-N 3.1Å; N5-N709 PolarHBondContact ND2-ND2 2.94Å; N5-N709 VanDerWaalsContact ND2-ND2 3.14Å
710N24.1Very low23.7Very low110 Ų110120 Ų12059%0.58866%0.659SS**  177.1145.5101.8-89.3-34.5000118D3D3-N710 PolarHBondContact OD2-N 3.16Å
711T24.3Very low23.5Very low96 Ų96119.6 Ų119.659%0.58966%0.656SS**  trans54.7-177.9155.960.80000118.5M1 A2M1-T711 CarbonylContact C-O 3.13Å; M1-T711 WeakPolarHBondContact CA-O 3.43Å; M1-T711 PolarHBondContact N-O 2.79Å; A2-T711 PolarHBondContact N-O 3.41Å
712G21.4Very low23.4Very low42 Ų42118.9 Ų118.943%0.43366%0.656SS.*  cis-116.4-172.8-30.700000112.6M1M1-G712 WeakPolarHBondContact CA-O 3.28Å; M1-G712 VanDerWaalsContact CG-C 3.49Å; M1-G712 VanDerWaalsContact CG-O 3.25Å; M1-G712 WeakPolarHBondContact CG-O 3.16Å; M1-G712 PolarHBondContact N-O 3.22Å
713P37.5Very low23.7Very low82 Ų82119.5 Ų119.553%0.53266%0.659SS.*  trans-118.6-172.4-159.842.8-31.7000117.2M1M1-P713 HydrophobicContact CE-CB 3.61Å; M1-P713 HydrophobicContact CE-CG 3.73Å; M1-P713 HydrophobicContact CG-CB 3.98Å
714N21.9Very low23.4Very low136 Ų136117.8 Ų117.873%0.72766%0.659SS**  trans74.9115.4163.8-57.5-15.6000116.2
715T21.2Very low23Very low117 Ų117114.7 Ų114.772%0.71865%0.654SS**  55.4105.967.167.60000115.1
716F23.1Very low23.1Very low168 Ų168118.5 Ų118.574%0.73766%0.664SS**  trans-165137.6141.5-111.8-74.2000111.9
717R22.1Very low22.9Very low210 Ų210120 Ų12079%0.79267%0.669SS**  trans37.9123.5147.4-80178.1-170.5160.41.8120.6
718S22.5Very low22.6Very low84 Ų84121.9 Ų121.959%0.58767%0.674SS**  87.3124.159.279.30000114.5
719D21.8Very low22.8Very low166 Ų166119.7 Ų119.789%0.88868%0.681SS**  trans58.3138.4146-48.6-31.8000121.1
720G23.2Very low23Very low66 Ų66122 Ų12268%0.6870%0.7SS**  trans135.683.5175.600000111.6
721L23Very low22.9Very low163 Ų163121.5 Ų121.585%0.85371%0.705SS**  72103.787-76.4164.5000114.9
722S20.9Very low22.8Very low95 Ų95123.7 Ų123.766%0.66471%0.713SS**  trans33.1114.9135.359.50000120
723V27.1Very low23Very low146 Ų146127.9 Ų127.989%0.88573%0.725SS**  trans-128.9143.9142.1178.50000108.5
724V19.1Very low22.9Very low115 Ų115128 Ų12870%0.69773%0.726SS**  trans-114172.8-174.1-167.70000108.9
725V19.1Very low23Very low109 Ų109124.6 Ų124.666%0.66171%0.713SS**  trans87.4142.1154.6-128.90000120.2
726H21.2Very low23.1Very low161 Ų161123.1 Ų123.175%0.74570%0.7SS**  trans72123165.6-63.9-66.6000118.7
727V18.4Very low23Very low107 Ų107120.4 Ų120.465%0.64869%0.693SS**  cis111134.521.8166.40000111.7
728Q19.6Very low23Very low171 Ų171119.3 Ų119.380%0.79969%0.694SS**  trans80105.8164.7-80.6153.1-8.500121.4
729S27Very low23.1Very low103 Ų103121 Ų12172%0.7270%0.7SS**  16.6140.4124.256.60000121.1
730P25.3Very low23.1Very low116 Ų116118.6 Ų118.675%0.75369%0.694SS**  -130.3160.391.1617.4000113.8
731S21.4Very low22.9Very low98 Ų98123.1 Ų123.169%0.68570%0.702SS**  73.6142.456.1111.80000113.6
732N22.5Very low23Very low143 Ų143121.1 Ų121.177%0.76570%0.698SS**  cis-173.7158.81.7-104.3-9.2000110.7
733N24.6Very low23Very low129 Ų129125.9 Ų125.969%0.6971%0.707SS**  trans19.6-165.3144.9-64.27.9000122.5
734P36.9Very low22.6Very low86 Ų86124 Ų12456%0.55870%0.7SS**  cis-118.6-143.8-26.921.94.6000112.4T828 E829P734-T828 CarbonylContact C-O 3.59Å; P734-T828 WeakPolarHBondContact CA-O 3.45Å; P734-E829 PolarHBondContact O-N 3.43Å
735S22.2Very low22.8Very low63 Ų63124.8 Ų124.844%0.44171%0.705SS.*  -155143.9-82.964.60000116.6T828S735-T828 WeakPolarHBondContact CA-OG1 3.41Å; S735-T828 WeakPolarHBondContact CB-OG1 3.48Å
736N23.8Very low22.9Very low86 Ų86123.6 Ų123.646%0.4670%0.701SS.*  trans90.8118.8145.3-77.6-17.3000127.5T828 E829N736-T828 PolarHBondContact N-OG1 3.44Å; N736-T828 PolarHBondContact OD1-OG1 3.12Å; N736-E829 WeakPolarHBondContact CA-OE1 3.47Å; N736-E829 VanDerWaalsContact N-CD 3.28Å; N736-E829 PolarHBondContact N-OE1 3.09Å
737I21.4Very low23Very low112 Ų112123.7 Ų123.757%0.57470%0.702SS**  82.4123.2128-56161.2000121.4E829I737-E829 PolarHBondContact N-OE2 3.36Å; I737-E829 VanDerWaalsContact N-OE2 3.07Å
738F22.5Very low23.5Very low187 Ų187126.9 Ų126.982%0.8271%0.71SS**  179.7155.2113.6-117.4-80.3000114.7
739V23.5Very low23.6Very low119 Ų119126.1 Ų126.172%0.72171%0.706SS**  trans-128133.2167170.90000109.8
740P23.4Very low23.4Very low116 Ų116127.5 Ų127.575%0.75371%0.705SS**  trans-134.8148.2140.334.8-22.3000114
741L18.7Very low23.3Very low161 Ų161130.9 Ų130.984%0.84371%0.709SS**PPolyproline II helixtrans-66.6138.5169.7-94.168.1000111.8
742P25.2Very low23.3Very low120 Ų120131.9 Ų131.978%0.77971%0.706SS**PPolyproline II helixtrans-86.4158.3155.46.412.2000111.8
743K20.6Very low23.2Very low196 Ų196134 Ų13485%0.85271%0.709SS**PPolyproline II helixtrans-86.4167.1-178.8-63.2168.9179.5171.90112
744S18.5Very low23.6Very low105 Ų105132.5 Ų132.573%0.73471%0.706SS**  trans-22.4147.6156.855.30000117.7
745V22.1Very low23Very low132 Ų132134.6 Ų134.680%0.872%0.718SS**  -173132.1121.41400000113.7
746S21.9Very low23.2Very low84 Ų84137.5 Ų137.559%0.58773%0.732SS**  trans55.6128150.173.20000126.2
747Q22.9Very low23.2Very low163 Ų163139.7 Ų139.776%0.76274%0.744SS**  78.8104.7125-71.1167.97.400122.5
748H28.7Very low23.3Very low174 Ų174140.7 Ų140.781%0.80675%0.751SS**  179.9100.9115-94.6-68.1000107.3
749Q22.5Very low23.3Very low155 Ų155140.8 Ų140.872%0.72475%0.751SS**  73125.679.5-78.8-169.3-13.300116.7
750N21.8Very low23.3Very low132 Ų132145.5 Ų145.571%0.70676%0.756SS**  trans74.2102.6163-55-9.4000119.3
751F24.4Very low23.4Very low187 Ų187146 Ų14682%0.8275%0.753SS**  -172.4117.489-105.7-78000113.1
752D21.5Very low23.7Very low119 Ų119145.7 Ų145.764%0.63675%0.752SS**  trans27.1117.1151.8-55.3-32.1000124.8
753F19.8Very low23.5Very low188 Ų188147.1 Ų147.183%0.82575%0.752SS**  49.6155.4121.7-72.5-74.4000123.6
754P33.3Very low23.8Very low97 Ų97144.1 Ų144.163%0.6375%0.745SS**  cis-136.5161.1-1237.7-19000117.6
755T23.4Very low24.2Very low130 Ų130146.3 Ų146.380%0.79875%0.749SS**  trans74.5147139490000125.6
756V26.5Very low24.4Very low124 Ų124146.7 Ų146.775%0.75275%0.745SS**  trans94.682.7157.7-156.80000119.8
757N24.6Very low24.5Very low132 Ų132151.7 Ų151.771%0.70676%0.757SS**  35.8119.5119.9-65.1-4.2000122.4
758N23.2Very low25Very low134 Ų134151.6 Ų151.672%0.71776%0.761SS**  63.7159.2118.3-61.1-15.5000123.6
759F23Very low24.9Very low189 Ų189147.5 Ų147.583%0.82975%0.753SS**  trans78.493.4162.6-76-73000119.7
760R22.6Very low25.1Very low217 Ų217148.9 Ų148.982%0.81976%0.759SS**  trans-34.7153.2130.7-166.7-177.4176.6148.8-1114
761D26.3Very low25.4Very low127 Ų127150.9 Ų150.968%0.67977%0.766SS**  trans89.5148.6166.3-56.9-43.1000120
762N24.7Very low25.5Very low154 Ų154148.9 Ų148.982%0.82476%0.763SS**  trans70.9106.2-172.6-54.4-39.4000114.9
763L21.4Very low25.5Very low151 Ų151149 Ų14979%0.79177%0.768SS**  67.1126.550.6-147.8103.1000113.1
764D25.7Very low25.7Very low132 Ų132147.8 Ų147.871%0.70677%0.768SS**  trans22.4117.1165.8-62.2-40.3000119.7
765N27.5Very low25.4Very low151 Ų151147.6 Ų147.681%0.80778%0.775SS**  -172.3146.9127.1-100-47.8000116.1
766L26.3Very low25.3Very low140 Ų140146 Ų14673%0.73378%0.775SS**  trans44116163.2-77.977000119.6
767K25Very low25.2Very low190 Ų190148.4 Ų148.483%0.82678%0.775SS**  65.1103.866.3-66.6-175.1178.8176.90115.2
768N32.3Very low25Very low160 Ų160153.7 Ų153.786%0.85679%0.785SS**  trans-163.7135.1138.2-90.1-26000105.7
769S26.5Very low25Very low89 Ų89156.7 Ų156.762%0.62279%0.788SS**  cis176.9137.4-23.234.10000103.7
770E28.1Very low25Very low184 Ų184151.3 Ų151.386%0.8677%0.773SS**  trans6196.5154.7-60.8174.4179.700119.9
771M27.9Very low24.9Very low174 Ų174148.5 Ų148.586%0.85777%0.77SS**  -159124.9106.8-98.4-139.8166.400114.1
772I25.7Very low24.6Very low145 Ų145151.5 Ų151.574%0.74478%0.777SS**  trans64.490.8146.8-52179000118.2
773T22.2Very low24.5Very low122 Ų122148.4 Ų148.475%0.74877%0.767SS**  trans-43.6146.6147.6-32.60000115
774I23.9Very low24.5Very low162 Ų162149.6 Ų149.683%0.83177%0.769SS**  167.1148.4121.3-86.3161.4000112.2
775A25.8Very low24.5Very low93 Ų93150 Ų15077%0.76977%0.771SS**  trans73.773168.900000117.7
776A22.3Very low24.1Very low97 Ų97150.8 Ų150.880%0.80277%0.77SS**  trans-66.5135.5147.600000110.7
777K24.7Very low24Very low173 Ų173149 Ų14975%0.75277%0.765SS**  -172.9120.4121-103.5170.4178.5-1790110.4Y779K777-Y779 HydrophobicContact CD-CE2 4.14Å
778R20.2Very low24Very low243 Ų243145.8 Ų145.892%0.91776%0.757SS**  trans-66.4133.3151.2-67.2176.6179.8167-0.8106.4
779Y23.8Very low23.5Very low198 Ų198144.4 Ų144.478%0.77675%0.748SS**  trans-122.8109.3147-98.7-73000107K777K777-Y779 HydrophobicContact CD-CE2 4.14Å
780S21.4Very low23.6Very low75 Ų75151.1 Ų151.152%0.52476%0.76SS.*  trans-64.4174.8147.842.60000109.6
781E21.7Very low23.3Very low158 Ų158149.7 Ų149.774%0.73876%0.757SS**  trans91.5112.8157.6-66.1154.7-132.800119.6
782F20.6Very low23.3Very low191 Ų191147.9 Ų147.984%0.83875%0.75SS**  88.4142125.4-94.6-96.9000123.7
783S20.7Very low23.3Very low88 Ų88145.4 Ų145.462%0.61575%0.746SS**  trans50.4115.8153.947.90000118.4
784Q22.4Very low23.7Very low177 Ų177145.3 Ų145.383%0.82775%0.75SS**  56.8108.478.3-69.1-177.4-16.800113.6
785N25.4Very low23.8Very low140 Ų140142.1 Ų142.175%0.74975%0.748SS**  -163.5135.7124-85.9-24.8000105.7
786Q19.5Very low23.8Very low167 Ų167146.1 Ų146.178%0.7875%0.751SS**  54.9128.268.7-67.5-166.50.400110.2
787T23Very low23.9Very low103 Ų103147.4 Ų147.463%0.63274%0.744SS**  cis-153.9-163.833.434.70000112.2
788D26.2Very low23.9Very low123 Ų123147.3 Ų147.366%0.65875%0.747SS**  trans92.382.1150.7-50.1-41.8000117.6
789I22.6Very low24.1Very low131 Ų131140.6 Ų140.667%0.67274%0.737SS**  74.6121.574.6-56.4162.9000112
790W27.3Very low24.2Very low230 Ų230141 Ų14187%0.87174%0.738SS**  179130.6114.9-99.781.1000110.3
791I21.8Very low24.4Very low154 Ų154143 Ų14379%0.7975%0.751SS**  trans-108.1151.4179.8-71166.7000107.1
792D28.8Very low24.4Very low136 Ų136141.5 Ų141.573%0.72775%0.752SS**  trans-146.5104.3159.6-125.1-28.9000113.8
793S25.4Very low24.8Very low92 Ų92138 Ų13864%0.64375%0.749SS**  68151.9126.2-58.70000124.4
794S30Very low24.9Very low121 Ų121140.6 Ų140.685%0.84676%0.756SS**  trans70.9107.4-175.866.80000115.5
795A25.4Very low25.2Very low95 Ų95140.1 Ų140.179%0.78576%0.757SS**  cis82102.939.400000114.6
796E26.1Very low25.2Very low176 Ų176138.2 Ų138.282%0.82275%0.752SS**  175.6127.1111.4-93.8-175.3-173.800113.9
797N25.9Very low25.7Very low125 Ų125136.2 Ų136.267%0.66875%0.754SS**  trans66.5110.3140-63.8-32.9000124.4
798Q24Very low25.9Very low171 Ų171136.9 Ų136.980%0.79975%0.754SS**  trans87.391.6130.3-65.7179.810.100121
799S24.2Very low26Very low101 Ų101138.9 Ų138.971%0.70676%0.759SS**  131.5147.796.271.80000117.6
800Y25.6Very low26.1Very low207 Ų207138.4 Ų138.481%0.81276%0.762SS**  trans69.6100166.8-72.5-79.5000122.4
801C25.6Very low26Very low117 Ų117134 Ų13479%0.79176%0.756SS**  trans68110.6131.7-67.80000122
802V21.8Very low26.2Very low126 Ų126135.2 Ų135.276%0.76476%0.758SS**  trans-85.8150163.5170.10000110.5
803P28.5Very low25.9Very low118 Ų118134.5 Ų134.577%0.76676%0.759SS**  trans-128115.8137.433.2-22.6000113.2
804N24Very low25.9Very low142 Ų142137 Ų13776%0.75976%0.764SS**  trans-1.1126.9157.8-54.1-19.9000119.4
805I28.7Very low25.6Very low167 Ų167137.2 Ų137.286%0.85676%0.756SS**  trans-130.5109.9148.9-56.6-179.6000107.4
806P25.7Very low25.7Very low100 Ų100139.4 Ų139.465%0.64975%0.753SS**  trans-89157.9176.635.7-33.8000112.1
807P28.3Very low25.8Very low125 Ų125138 Ų13881%0.81275%0.751SS**  trans-11297166.535.4-22.8000111.9
808N29.1Very low25.8Very low118 Ų118137.4 Ų137.463%0.63175%0.752SS**  trans-120.9128169.7-81.943.8000107
809E27.3Very low26.1Very low164 Ų164136.6 Ų136.677%0.76675%0.751SS**  109.8120.578.6-82.6176.1152.400110.7
810V24.5Very low26.1Very low122 Ų122138.8 Ų138.874%0.73976%0.755SS**  trans13.6134.8132.3-173.90000119.5
811D24.4Very low26.1Very low137 Ų137132.8 Ų132.873%0.73376%0.756SS**  trans55108156.4-61.6-15.8000122.2
812Q27.2Very low26Very low180 Ų180132.4 Ų132.484%0.84176%0.755SS**  trans-176.6119.5130.4-98.81478300106.7
813T23.2Very low26.2Very low121 Ų121135.9 Ų135.974%0.74276%0.762SS**  47.5134.663.262.50000115.1
814L23.5Very low25.9Very low144 Ų144134.3 Ų134.375%0.75476%0.759SS**  trans88.2112.6177.5-63.8141.1000117.4
815D25.2Very low25.9Very low126 Ų126136.5 Ų136.567%0.67476%0.763SS**  93.4113.1123.3-72.90.7000123.3
816L26.1Very low25.7Very low140 Ų140134.8 Ų134.873%0.73376%0.755SS**  103.3126.4119.7-79.5170.4000120.3
817L28.9Very low25.6Very low146 Ų146132.7 Ų132.776%0.76474%0.743SS**  trans88.8100159.1-58.4160.5000116.8
818V25.5Very low25.4Very low114 Ų114130.4 Ų130.469%0.69173%0.727SS**  75.7117.6581790000109.4
819I29.9Very low25.1Very low154 Ų154129.5 Ų129.579%0.7972%0.719SS**  -145.1149.163.6-71.7172.8000113.4
820D24.2Very low25.3Very low147 Ų147126.7 Ų126.779%0.78671%0.713SS**  trans-43.6171.1172.3-55.6-76.4000119.8
821G27Very low25.4Very low81 Ų81126.8 Ų126.884%0.83572%0.716SS**  trans-176.710.116600000117.7
822S23Very low25.7Very low109 Ų109125.1 Ų125.176%0.76271%0.71SS**  trans-101.2123.8178.956.80000112.5
823Q25.3Very low25.5Very low198 Ų198125.7 Ų125.793%0.92571%0.713SS**  trans-153.7148.6152.2-110.2171.934.900110.3
824A22.7Very low25.6Very low85 Ų85123.3 Ų123.370%0.70271%0.712SS**  trans-121.4157.6-176.400000110
825F24Very low25.7Very low189 Ų189121.3 Ų121.383%0.82971%0.71SS**  trans-163.4118.1152.9-100.8-66.7000113.9
826N24.4Very low25.7Very low130 Ų130122.3 Ų122.370%0.69572%0.715SS**  trans40.1144.6138.7-63.5-2.7000126.8
827S23.4Very low25.7Very low57 Ų57122.5 Ų122.540%0.39972%0.717SS.*  trans65.599.2140.453.20000121.7
828T24.4Very low25.4Very low76 Ų76119 Ų11947%0.46671%0.708SS.*  48.7177.2112.861.90000120.7P734 S735 N736P734-T828 CarbonylContact C-O 3.59Å; P734-T828 WeakPolarHBondContact CA-O 3.45Å; S735-T828 WeakPolarHBondContact CA-OG1 3.41Å; S735-T828 WeakPolarHBondContact CB-OG1 3.48Å; N736-T828 PolarHBondContact N-OG1 3.44Å; N736-T828 PolarHBondContact OD1-OG1 3.12Å
829E23Very low25.6Very low99 Ų99125 Ų12546%0.46372%0.72SS.*  cis-141.4-106-0.1-152.1125.2-37.200112.5P734 N736 I737P734-E829 PolarHBondContact O-N 3.43Å; N736-E829 WeakPolarHBondContact CA-OE1 3.47Å; N736-E829 VanDerWaalsContact N-CD 3.28Å; N736-E829 PolarHBondContact N-OE1 3.09Å; I737-E829 PolarHBondContact N-OE2 3.36Å; I737-E829 VanDerWaalsContact N-OE2 3.07Å
830V31.1Very low25.2Very low106 Ų106126.2 Ų126.264%0.64272%0.723SS**  trans-154.8149.9-166.8177.90000111V832V830-V832 HydrophobicContact CG1-CG2 4.41Å
831P27.4Very low25.4Very low123 Ų123127.9 Ų127.980%0.79973%0.726SS**  -125147.3120.83.217.7000110.5
832V29.5Very low25.5Very low103 Ų103129.4 Ų129.462%0.62472%0.721SS**  cis133.8117.110.2146.80000105.6V830V830-V832 HydrophobicContact CG1-CG2 4.41Å
833E23.5Very low25.5Very low192 Ų192130.7 Ų130.790%0.89772%0.724SS**  trans60.9157.4149.8-64.9167.8-17400121.5
834G25.3Very low25.3Very low70 Ų70128.9 Ų128.972%0.72272%0.72SS**  trans165.546.7173.700000118.3
835S26.6Very low25.4Very low103 Ų103133.1 Ų133.172%0.7273%0.73SS**  trans62.7134.6160.2-70.90000119.3
836L23.7Very low25.6Very low146 Ų146128 Ų12876%0.76472%0.722SS**  61.1124.663.3-62.8154.3000110.2
837D26.8Very low25.7Very low145 Ų145127.6 Ų127.678%0.77573%0.726SS**  cis-156.5164.146.2-107.1-48.2000116
838A23.3Very low25.7Very low71 Ų71131.8 Ų131.859%0.58775%0.745SS**  trans-68.3160.4171.500000113.5
839Y29.5Very low25.6Very low241 Ų241135.4 Ų135.495%0.94576%0.761SS**  trans-143.1144.8138.9-109.9-78.8000110.7
840Q21.9Very low25.7Very low179 Ų179135.9 Ų135.984%0.83677%0.771SS**  trans-95.9167-169.7-66.6170.4-62.800113.1
841E28Very low25.2Very low182 Ų182137.5 Ų137.585%0.8578%0.776SS**  trans-21.6154.1147.7-80.9-175.8167.800115.5
842P28.1Very low25Very low113 Ų113136.7 Ų136.773%0.73477%0.773SS**  -164.8-174.561.947.8-26000121.1
843V24.2Very low24.7Very low136 Ų136137 Ų13782%0.82478%0.78SS**  trans86.8125.8144.4161.70000121.2
844L20.9Very low24.9Very low161 Ų161137.3 Ų137.384%0.84378%0.778SS**  trans-64.8157.3169.7-60.6150.2000113.7
845L25.3Very low25Very low174 Ų174143.7 Ų143.791%0.91179%0.786SS**  trans-170.6148.1130.8-103.6160.1000111.3
846A28Very low26Very low80 Ų80143.7 Ų143.766%0.66178%0.784SS**  trans-86.6170.8172.200000111.2
847P26.6Very low26Very low122 Ų122141.6 Ų141.679%0.79278%0.781SS**  -142.2169.510938.8-26.3000115.4
848D22.3Very low25.9Very low146 Ų146141.8 Ų141.878%0.78178%0.783SS**  trans-73.5-175.5-178.3-52.6-85.1000115.3
849N22.4Very low25.8Very low151 Ų151145.1 Ų145.181%0.80779%0.79SS**  118.8151.3118.7-117.4-16.5000120.2
850V24.3Very low25.7Very low110 Ų110141.7 Ų141.767%0.66779%0.788SS**  trans85.593.1152.2174.10000120.3
851D22.4Very low25.8Very low140 Ų140139.9 Ų139.975%0.74978%0.782SS**  78.1153.5114.4-70.5-37.7000127.3
852S23.4Very low25.8Very low105 Ų105138.9 Ų138.973%0.73478%0.783SS**  trans77.9102.7150.967.30000117.6
853S21.9Very low26.9Very low111 Ų111138.2 Ų138.278%0.77678%0.778SS**  89.4116.557.1760000114.5
854K28.6Very low26.9Very low198 Ų198139.1 Ų139.186%0.86178%0.778SS**  trans-172.9102.6146.9-107.8163.5-174.2175.70114.8
855F27.3Very low27.1Very low204 Ų204137.9 Ų137.990%0.89577%0.771SS**  trans67153.8140.4-83.2-101.4000123.4
856P47.6Very low27.1Very low103 Ų103135.7 Ų135.767%0.66976%0.761SS**  trans-132.8-150.5-154.446.7-28.3000114
857S23.3Very low26.9Very low102 Ų102137.4 Ų137.471%0.71376%0.763SS**  trans79.1140.6173.377.70000115.6
858N24.8Very low26.9Very low149 Ų149140.9 Ų140.980%0.79777%0.769SS**  cis-136164.915.6-106.1-36.8000113.9
859L21.9Very low26.9Very low141 Ų141138.6 Ų138.674%0.73876%0.764SS**  trans-71.6153.1176.8-63.3105000113
860N26.8Very low26.9Very low169 Ų169141.3 Ų141.390%0.90477%0.769SS**  -159.1134.3126-103.3-17.5000110.4
861I23.4Very low26.8Very low140 Ų140143.7 Ų143.772%0.71878%0.775SS**  trans-121131.6172.9-65.5169.7000105.3
862D27.7Very low26.7Very low162 Ų162142.5 Ų142.587%0.86678%0.776SS**  trans-167.8146.1141.7-102.9-25.8000112.2
863P52.2Low26.7Very low98 Ų98141.9 Ų141.964%0.63678%0.777SS**  trans-104.7169.9173.937.5-28.9000112.9
864L25Very low26.6Very low155 Ų155143 Ų14381%0.81278%0.779SS**  trans149.6143135.3-77.2165.8000115.1
865L25Very low26.3Very low135 Ų135141.8 Ų141.871%0.70778%0.777SS**  trans67.3121.4148.3-96.176.1000125.4
866N24.3Very low26.6Very low129 Ų129137.3 Ų137.369%0.6977%0.768SS**  74.9103.5127.8-74.16.5000124.4
867T24.7Very low25.4Very low115 Ų115138.6 Ų138.671%0.70677%0.769SS**  27.9116.4117.161.50000120.2
868Q26.3Very low25.4Very low196 Ų196141.4 Ų141.492%0.91677%0.77SS**  -176.7157.4102.7-100.2-175.52.700112.4
869S21.7Very low25.6Very low97 Ų97143.4 Ų143.468%0.67877%0.772SS**  trans-94.9141.4173.6520000111.6
870F23.4Very low26.1Very low208 Ų208143.7 Ų143.791%0.91277%0.774SS**  trans-167.6173.2136.3-113.3-74.2000112.2
871M20.7Very low25.9Very low160 Ų160142.8 Ų142.879%0.78877%0.769SS**  trans-96.2170.1-171.5-51.8-173.990.100113.5
872C21.2Very low26.2Very low116 Ų116142.9 Ų142.978%0.78478%0.776SS**  trans77.7122.8147.1-73.90000120.7
873A22.3Very low26Very low92 Ų92140.7 Ų140.776%0.7677%0.769SS**  86.7127.3123.900000121.2
874V21.6Very low24.8Very low133 Ų133142.9 Ų142.981%0.80678%0.775SS**  trans80144.3151.11790000118.3
875E21Very low24.7Very low174 Ų174142.4 Ų142.481%0.81377%0.772SS**  trans-30.5158.7161.2-69.7177.6165.700114.9
876P34.8Very low24.5Very low110 Ų110140.9 Ų140.971%0.71477%0.771SS**  cis-156.4-164.546.341.7-18000118.3
877L21.3Very low24.6Very low130 Ų130145.7 Ų145.768%0.68178%0.781SS**  trans93.4128.9143.6-115.674.7000121
878E23.4Very low24.5Very low160 Ų160144 Ų14475%0.74878%0.779SS**  trans46.7122.5137.5-76163.9-15200121.6
879K28.6Very low24.3Very low192 Ų192139.4 Ų139.484%0.83577%0.768SS**  -165.9165.3108.6-106.5163.8-171.4177.70114.8
880D32.1Very low24.2Very low147 Ų147141.9 Ų141.979%0.78677%0.774SS**  trans88.8112164.8-57-20.2000119.7
881L22.9Very low24.2Very low150 Ų150138 Ų13879%0.78577%0.767SS**  trans-79.2159.1178.7-63.863.8000110.6
882T29.5Very low24.2Very low142 Ų142139.6 Ų139.687%0.87177%0.766SS**  177.4156.5104.930.80000112.5
883T24Very low24.5Very low116 Ų116140.8 Ų140.871%0.71277%0.77SS**  trans-92.6163.8-170.448.90000113.3
884N28.1Very low24.4Very low143 Ų143141 Ų14177%0.76576%0.761SS**  169.5101.6119.9-80.9-9.8000114.7
885I23.1Very low24.4Very low146 Ų146141.4 Ų141.475%0.74976%0.759SS**  28.8129.3127.1-57.3173.2000120.8
886C20.7Very low24.8Very low102 Ų102140.6 Ų140.669%0.68976%0.759SS**  trans1.9143.5146-46.60000121.6
887Y25.7Very low24.1Very low231 Ų231142.3 Ų142.391%0.90676%0.762SS**  -172.7-176.196-109.2-78.9000112.1
888A22.4Very low24.3Very low79 Ų79142.4 Ų142.465%0.65377%0.768SS**  trans-120.6164.5-15800000116.2
889S21.8Very low24.3Very low99 Ų99138.5 Ų138.569%0.69276%0.763SS**  trans61.4132.3145.556.20000122.9
890N20Very low24Very low149 Ų149135.9 Ų135.980%0.79776%0.763SS**  trans53.8120.3145.3-57.6-12.4000118.9
891T22.2Very low23.5Very low126 Ų126133.3 Ų133.377%0.77376%0.756SS**  -179.515775.330.60000112.8
892Y21.1Very low23.6Very low195 Ų195132.2 Ų132.277%0.76576%0.756SS**  trans19.4119149.4-75-91.3000122.4T894Y892-T894 HydrophobicContact CD1-CG2 3.91Å; Y892-T894 HydrophobicContact CE1-CG2 4.5Å
893T27.9Very low23.3Very low141 Ų141130.7 Ų130.787%0.86575%0.746SS**  trans-144.1116130.235.90000105.5
894T20.7Very low23.3Very low95 Ų95131.1 Ų131.158%0.58374%0.744SS**  cis62.3109.337.8510000117Y892Y892-T894 HydrophobicContact CD1-CG2 3.91Å; Y892-T894 HydrophobicContact CE1-CG2 4.5Å
895N22.2Very low23.1Very low142 Ų142130 Ų13076%0.75974%0.738SS**  trans60.6124146.6-62-8.9000120.5
896I27.9Very low23.1Very low157 Ų157127 Ų12781%0.80573%0.73SS**  trans-177.3110.3131.6-91.4150.1000103.6
897N20.3Very low23.2Very low147 Ų147127.9 Ų127.979%0.78673%0.728SS**  57.783.353.3-84.61.9000115.2
898T26.2Very low23Very low131 Ų131125.1 Ų125.180%0.80472%0.723SS**  trans-162.211413918.20000107.6
899A23.6Very low23Very low79 Ų79124.9 Ų124.965%0.65372%0.721SS**  87.9107.47900000110.2
900V21.6Very low23.1Very low136 Ų136125.2 Ų125.282%0.82472%0.724SS**  73.8123.786.2161.20000109.9
901S22.7Very low23.3Very low93 Ų93124.5 Ų124.565%0.6572%0.72SS**  cis-175.6-165.42.248.70000109.7
902V23.9Very low23.5Very low128 Ų128123.5 Ų123.578%0.77671%0.713SS**  trans88.9132.1158.2-1710000116.3
903V23.3Very low23.6Very low109 Ų109120.8 Ų120.866%0.66171%0.712SS**  cis-174.7148.7-33.8106.80000106.6
904N23.8Very low23.9Very low125 Ų125120 Ų12067%0.66871%0.71SS**  trans63159.6162.6-70.322.8000118
905D23.2Very low24.2Very low121 Ų121121 Ų12165%0.64772%0.716SS**  cis-140.4152.6-8.5-126.2-40.1000113.5
906S23.4Very low24.4Very low81 Ų81125.4 Ų125.457%0.56672%0.723SS**  trans-31.6145.7156.156.90000117
907N23.6Very low24.3Very low122 Ų122127.3 Ų127.365%0.65273%0.726SS**  174.9124.7124.8-89.5-41.6000109.9
908Q22.2Very low25.2Very low173 Ų173125.9 Ų125.981%0.80872%0.724SS**  60.8141.795.7-64.1-17637.400114.3
909A22.6Very low25.6Very low74 Ų74125.6 Ų125.661%0.61273%0.725SS**  cis-174164.2-15.600000107
910S22.7Very low25.7Very low106 Ų106133.1 Ų133.174%0.74174%0.736SS**  trans68.8167.9149.589.20000116.2
911N24Very low26.5Very low133 Ų133132.2 Ų132.271%0.71173%0.733SS**  cis-157160.6-4.7-135.2-7000113.2
912T27.1Very low26.8Very low105 Ų105132.8 Ų132.864%0.64474%0.737SS**  trans52.3111.2145.8530000123.2
913N23.4Very low26.8Very low139 Ų139134.5 Ų134.574%0.74374%0.737SS**  20.3144.7102.8-67-35000119.7V915N913-V915 HydrophobicContact CB-CG2 4.39Å
914P32.7Very low26.9Very low124 Ų124139.6 Ų139.681%0.80574%0.744SS**  -128.9123.699.833.7-25.5000112.1
915V27.7Very low27Very low117 Ų117138.4 Ų138.471%0.70975%0.752SS**  71.4101.378.1176.70000114.3N913N913-V915 HydrophobicContact CB-CG2 4.39Å
916Y27.7Very low27Very low234 Ų234136 Ų13692%0.91876%0.756SS**  -150.4138.3129.3-108.1-79.8000110
917K25Very low27.1Very low197 Ų197139.6 Ų139.686%0.85777%0.768SS**  trans-145176176.6-91.8-176.1175.9176.60106.1
918P39.3Very low27.1Very low117 Ų117140.3 Ų140.376%0.7677%0.771SS**  cis-125.3-155.94.741.1-20.5000111.2
919P34.1Very low27.1Very low125 Ų125137.7 Ų137.781%0.81277%0.767SS**  cis-133.7-170.62.641.3-19.5000118.7
920R25.9Very low27.2Very low237 Ų237141.4 Ų141.489%0.89477%0.771SS**  trans-81.5-166.5-168-50.2171.1167177-3.5114.9
921P37.9Very low27.2Very low116 Ų116144.6 Ų144.675%0.75377%0.772SS**  cis-139.2-164.5-8.330.4-4.7000116.9
922S29Very low27.1Very low106 Ų106143 Ų14374%0.74177%0.771SS**  trans98.3106.6163.586.40000116.4
923E24.7Very low26.9Very low164 Ų164144.1 Ų144.177%0.76678%0.782SS**  75.9135.780.8-84-167.8-138.500113
924R25.6Very low26.8Very low215 Ų215142.5 Ų142.581%0.81178%0.781SS**  cis-168.31528.1-167.1172.9-176.2154.3-8.1110.7
925A25.8Very low26.3Very low101 Ų101146 Ų14684%0.83578%0.784SS**  trans53.4144.3163.600000118.9
926G23.4Very low25.9Very low71 Ų71146.4 Ų146.473%0.73278%0.778SS**  cis107.6140.431.100000108.7
927L24.1Very low25.7Very low156 Ų156142.1 Ų142.182%0.81776%0.764SS**  cis-166.1169.62.5-117.5161000108.5
928N24.6Very low25.5Very low136 Ų136139.7 Ų139.773%0.72776%0.756SS**  trans69.2133.5168.9-51.9-23.2000116.7
929V21.6Very low24.6Very low118 Ų118140.1 Ų140.172%0.71576%0.757SS**  cis7295.320.4-167.70000115.2
930H24.9Very low24.1Very low153 Ų153138.5 Ų138.571%0.70875%0.748SS**  -174.8134123.4-104.8-64000115.3
931K23.6Very low24.2Very low172 Ų172135.6 Ų135.675%0.74875%0.751SS**  trans40.8119.2131.8-78.2-179.1-173.9176.10122.6
932S21.5Very low23.4Very low99 Ų99136.4 Ų136.469%0.69275%0.747SS**  24.7121.112461.50000120.6
933C22.4Very low23.1Very low129 Ų129138.3 Ų138.387%0.87275%0.748SS**  -174.9154.9104.7-105.40000112.6
934S20.6Very low23Very low105 Ų105139 Ų13973%0.73475%0.751SS**  trans-84.8140.3171.847.50000111.6
935F23.1Very low23.1Very low197 Ų197133.9 Ų133.986%0.86475%0.748SS**  trans-149.6167155.9-122.7-88.2000113
936E20.3Very low23.1Very low126 Ų126136 Ų13659%0.58975%0.746SS**  trans-78.7173-157.1-48.9172.8127.700117.9
937K22.2Very low23.1Very low144 Ų144137.7 Ų137.763%0.62675%0.746SS**  trans79.3143133.3-88.2167.4-169.8149.50123.3
938E20.6Very low23.2Very low147 Ų147139.7 Ų139.769%0.68775%0.749SS**  trans67.1108.8135.8-74158.4-156.800121.7
939T21.9Very low24.1Very low125 Ų125138 Ų13877%0.76775%0.745SS**  47.8154.5123.754.10000123.1
940S21.8Very low24.1Very low91 Ų91139.7 Ų139.764%0.63675%0.748SS**  trans6598162.146.30000117.1
941D27.8Very low23.9Very low177 Ų177139.7 Ų139.795%0.94775%0.753SS**  trans-99.1143.9137-85.2-45.4000109.3
942I22.9Very low23.7Very low132 Ų132135.9 Ų135.968%0.67775%0.748SS**  trans-130.7139-163.7-90.4173.7000107.5
943I21.7Very low23.9Very low147 Ų147137.2 Ų137.275%0.75475%0.752SS**  trans32.5123.7151-41.7167.6000117.9
944E22Very low24Very low178 Ų178138.8 Ų138.883%0.83275%0.747SS**  163.1123.5117.7-87.7-171.2173.700113
945S27.6Very low24.3Very low107 Ų107142 Ų14275%0.74875%0.75SS**  171.5147.1120.343.50000113.2
946N25.6Very low24.3Very low147 Ų147138.6 Ų138.679%0.78674%0.74SS**  trans81.982.3158.7-56.1-15.2000120.8
947S25.4Very low24.7Very low106 Ų106143 Ų14374%0.74175%0.753SS**  45.1113.8115.2620000122.4
948F24.8Very low24.7Very low198 Ų198139.4 Ų139.487%0.86876%0.756SS**  trans-35.8-179.8147.3-74.6-76.3000118.9
949P43.3Very low24.9Very low101 Ų101139.2 Ų139.266%0.65677%0.77SS**  cis-138.3-159.8-23.228.6-3.7000114.2
950I22.3Very low25.3Very low152 Ų152136.5 Ų136.578%0.77977%0.767SS**  trans85.3113159.5-56.8164.1000114.5
951L20.6Very low25.7Very low153 Ų153140 Ų14080%0.80178%0.777SS**  76.9110.762.4-143.989.1000114.8
952S20.3Very low25.7Very low92 Ų92137.5 Ų137.564%0.64377%0.773SS**  trans22.8116.1158.5600000121
953T24.3Very low25.9Very low127 Ų127138.8 Ų138.878%0.77978%0.781SS**  172.9140117.629.80000114.9
954Q24.5Very low26.1Very low163 Ų163139.4 Ų139.476%0.76278%0.782SS**  trans56.3154.2142.6-59.4-178.7-5.600124.4
955Q26.9Very low26.4Very low171 Ų171136.3 Ų136.380%0.79978%0.775SS**  trans75.9147160.8-53.8-162.81.400118.8
956L22.8Very low26.3Very low127 Ų127142.3 Ų142.367%0.66578%0.783SS**  cis-172.6156.5-36.2-122.8167.6000108.2
957Y29.2Very low26.2Very low218 Ų218143.6 Ų143.686%0.85579%0.785SS**  trans65148.3177.5-55.6-82000117.4
958G23.5Very low26.5Very low68 Ų68146.4 Ų146.470%0.70179%0.791SS**  cis162.1132.8-1000000114.4
959C23.3Very low26.4Very low143 Ų143141.1 Ų141.197%0.96678%0.784SS**  trans65.8132.5164.8-157.10000119.6
960G31.1Very low25.4Very low68 Ų68145.5 Ų145.570%0.70180%0.796SS**  trans-179.818.6177.700000119.5
961L30.1Very low25.6Very low165 Ų165143.5 Ų143.586%0.86480%0.795SS**  trans73.3124.6173.9-61.4166.9000119.7
962C28.3Very low26.2Very low125 Ų125144.6 Ų144.685%0.84580%0.801SS**  trans80.5102.9150.8-62.40000120.3
963N26.3Very low26.4Very low159 Ų159147.8 Ų147.885%0.8581%0.81SS**  trans-61.9177.4172-77.1-13.5000116
964M26.9Very low26.6Very low159 Ų159149.6 Ų149.678%0.78381%0.81SS**  trans89.268.1171.8-53.8-98.251.300112.2
965V26.9Very low26.5Very low113 Ų113148.9 Ų148.969%0.68581%0.806SS**  66.288.283.4-1770000111.4
966Y25.2Very low26.4Very low234 Ų234146.2 Ų146.292%0.91880%0.797SS**  trans-83.5114.5136.8-101.1-97000106.5
967E25.3Very low26.4Very low174 Ų174150.9 Ų150.981%0.81381%0.806SS**  trans-175.6102.7148-110.1171.3-154.500110.2
968D30.1Very low26.3Very low165 Ų165147.8 Ų147.888%0.88280%0.803SS**  trans-125.3106.7139.5-83.2-48.6000103.1
969A23.2Very low26.3Very low87 Ų87149 Ų14972%0.71980%0.801SS**  75.9135.368.800000112.8
970E23.2Very low26.5Very low192 Ų192151 Ų15190%0.89780%0.795SS**  trans-58138.3-172.7-59.8168.1105.600113.6
971S26.9Very low26.2Very low111 Ų111154.5 Ų154.578%0.77680%0.798SS**  trans-179.4108.4133.334.50000112
972L31.8Very low25.8Very low175 Ų175154 Ų15492%0.91680%0.796SS**  175.8108.2125.2-94.5161.9000110.6
973L25.6Very low25.7Very low159 Ų159154.5 Ų154.583%0.83280%0.795SS**  trans-48.2136.1164.1-66.6133.1000111.4
974Q27.6Very low25.5Very low166 Ų166152 Ų15278%0.77679%0.79SS**  170.6125.7100.4-88.4-161.7-13.900113.7
975H23.6Very low25.4Very low148 Ų148153.7 Ų153.769%0.68579%0.793SS**  trans60.5127.3136.5-82.8-72.2000124.4
976N24Very low25.3Very low114 Ų114153.3 Ų153.361%0.6180%0.795SS**  trans86.2108.4137.1-64.8-19.8000119.6
977R21.6Very low25.4Very low226 Ų226152 Ų15285%0.85379%0.794SS**  54.8128.6115.2-61.7173.6175.5-177-1.2115.7
978I28.2Very low25.4Very low153 Ų153148.9 Ų148.979%0.78579%0.792SS**  cis-144.1137.239.5-71.6174.2000110.6
979S22.5Very low25.5Very low94 Ų94146.3 Ų146.366%0.65779%0.786SS**  trans-72.2145.5165.250.50000112
980H28.1Very low25.7Very low184 Ų184147.7 Ų147.785%0.85279%0.79SS**  trans-154.3141.8136.1-101.9-65000112.7
981N24.4Very low26.1Very low141 Ų141143.1 Ų143.175%0.75478%0.779SS**  trans-79.7167.3-171.2-71.9-36000114.3V983N981-V983 PolarHBondContact O-N 3.33Å
982N22.3Very low25.9Very low154 Ų154143.9 Ų143.982%0.82478%0.783SS**  trans-7.8119.6142.2-62.6-26.9000115.8
983V26.2Very low25.9Very low137 Ų137141.5 Ų141.583%0.8378%0.778SS**  trans-136.9107.6142.4-179.20000109.5N981N981-V983 PolarHBondContact O-N 3.33Å
984S22.5Very low26.1Very low106 Ų106144.5 Ų144.574%0.74178%0.779SS**  trans-76.9122.8152.452.90000109.2
985K25Very low25.9Very low195 Ų195141.1 Ų141.185%0.84877%0.773SS**  trans-175.5150.9139.8-104.5160-173.7-179.30113.4
986S24.4Very low26.1Very low104 Ų104144.3 Ų144.373%0.72779%0.786SS**  trans-54137.817248.40000114.2
987F26.1Very low26.2Very low206 Ų206145 Ų14590%0.90479%0.794SS**  trans-133.4122146.1-100.9-83.4000110.3C989F987-C989 PolarHBondContact O-N 3.38Å
988S26.4Very low26.4Very low109 Ų109141.4 Ų141.476%0.76279%0.792SS**  trans-70.1119.2168470000109.9S990S988-S990 PolarHBondContact O-N 3.14Å
989C32.2Very low26.7Very low112 Ų112139.8 Ų139.876%0.75779%0.791SS**  trans-89.298.2169.3-173.60000110.1F987 S991F987-C989 PolarHBondContact O-N 3.38Å; C989-S991 PolarHBondContact O-N 3.4Å
990S27.9Very low26.9Very low115 Ų115140.6 Ų140.680%0.80479%0.793SS**  trans-74.168167.552.30000110.7S988S988-S990 PolarHBondContact O-N 3.14Å
991S30.4Very low26.7Very low96 Ų96139.1 Ų139.167%0.67179%0.79SS**  trans-150.464.2174.2-72.40000112.1C989 P993C989-S991 PolarHBondContact O-N 3.4Å; S991-P993 VanDerWaalsContact O-CD 3.3Å; S991-P993 WeakPolarHBondContact O-CD 3.37Å
992C23.5Very low26.7Very low127 Ų127139.3 Ų139.386%0.85879%0.79SS**  trans-85.6113.6157.8-79.90000109.9R994C992-R994 PolarHBondContact O-N 2.8Å; C992-R994 VanDerWaalsContact O-N 3.14Å
993P31.3Very low26.9Very low126 Ų126138.7 Ų138.782%0.81879%0.786SS**  trans-75.399.1160.730-30.5000109.7S991S991-P993 VanDerWaalsContact O-CD 3.3Å; S991-P993 WeakPolarHBondContact O-CD 3.37Å
994R29.1Very low26.6Very low222 Ų222136.8 Ų136.884%0.83878%0.779SS**  trans25.5112.2153.1-74.4176.8168.3158.1-4.1119.3C992C992-R994 PolarHBondContact O-N 2.8Å; C992-R994 VanDerWaalsContact O-N 3.14Å
995S23.6Very low26.7Very low95 Ų95140.5 Ų140.566%0.66478%0.784SS**  9.5123.7121.758.10000118.7
996F27.6Very low26.4Very low215 Ų215136.1 Ų136.194%0.94378%0.778SS**  trans-138.5109.2140-101.2-77.4000110.6
997T26.7Very low26.5Very low128 Ų128143 Ų14379%0.78579%0.788SS**  trans-102.2105.4170.944.70000109.7
998N26.5Very low26.3Very low150 Ų150140 Ų14080%0.80278%0.78SS**  trans-171.4142.5138.3-119.6-25.2000113.2
999P35.1Very low26.2Very low120 Ų120142.3 Ų142.378%0.77978%0.779SS**  trans-113.3106174.136.1-23.2000112.6
1000T26.3Very low26Very low111 Ų111143.6 Ų143.668%0.68178%0.778SS**  trans-140.4110.6174.6-51.80000113
1001L23.9Very low26.3Very low153 Ų153143.3 Ų143.380%0.80177%0.773SS**  trans41.2153.1140.4-61.9171.3000123.7
1002L24.6Very low25.9Very low144 Ų144147.6 Ų147.675%0.75478%0.783SS**  trans104.6131.8146.3-72.6138.3000120.6
1003L24.9Very low26.2Very low141 Ų141152.5 Ų152.574%0.73879%0.785SS**  trans64.1101.8148-69160.8000120
1004S20.3Very low25.8Very low97 Ų97154.1 Ų154.168%0.67879%0.787SS**  trans-17.9127134.151.60000116.2
1005H24.9Very low25.7Very low184 Ų184147 Ų14785%0.85278%0.782SS**  trans-142.4135135.9-111.2-80.3000111.9
1006S19.1Very low25.7Very low104 Ų104149.7 Ų149.773%0.72779%0.787SS**  trans-74.3128.1170.9500000110.7
1007R26.2Very low25.8Very low247 Ų247147.7 Ų147.793%0.93279%0.786SS**  trans-127.2141.6152.3-74.5-167.2-174.8-174.43.9111.5
1008I21.6Very low25.8Very low144 Ų144148.3 Ų148.374%0.73878%0.784SS**  trans-103.3128.4173.6-62164.4000104.6
1009H25.7Very low26.3Very low158 Ų158145.6 Ų145.673%0.73178%0.776SS**  175.9148.2126.2-102.6-79000113.8
1010N26Very low26Very low138 Ų138145.3 Ų145.374%0.73877%0.774SS**  trans55.1139152.7-65.24.8000123.2
1011P35.5Very low26.2Very low109 Ų109148 Ų14871%0.70878%0.784SS**  trans-99.2142.7161.937.5-28000111.6
1012E22.7Very low26.1Very low187 Ų187146.1 Ų146.187%0.87478%0.782SS**  trans-175.9174.6146.9-107.6150.7-152.100109.4
1013Y28.4Very low26.3Very low229 Ų229145.2 Ų145.290%0.89878%0.784SS**  trans80110.2-174.1-74.3-86000118.7
1014D22.4Very low26.3Very low161 Ų161146.4 Ų146.486%0.86179%0.788SS**  trans-59.3158.5157.8-68.1-69.6000112.4
1015G27.5Very low26.3Very low71 Ų71146.3 Ų146.373%0.73279%0.788SS**  trans-166.880.818000000110.8L1017G1015-L1017 PolarHBondContact O-N 3.25Å
1016I24.7Very low26.3Very low152 Ų152144.5 Ų144.578%0.77978%0.783SS**  trans-64.6113171.9-64.5166.2000107.9
1017L29.5Very low26.6Very low174 Ų174148.8 Ų148.891%0.91179%0.788SS**PPolyproline II helixtrans-102.4118.5164.6-97.7167.8000109.3G1015G1015-L1017 PolarHBondContact O-N 3.25Å
1018N26.9Very low26.5Very low140 Ų140142.9 Ų142.975%0.74978%0.78SS**PPolyproline II helixtrans-71.7165.7-176.5-81.2-40000113.2
1019C35.5Very low26.5Very low93 Ų93145.2 Ų145.263%0.62879%0.785SS**PPolyproline II helixtrans-51.1156.3173.7-149.40000112.2L1021C1019-L1021 PolarHBondContact SG-N 3.07Å
1020P29.6Very low26.3Very low115 Ų115146.2 Ų146.275%0.74779%0.79SS**  -155.287.190.237.5-16.3000114.9
1021L31.2Very low26.2Very low168 Ų168145.1 Ų145.188%0.8879%0.793SS**  trans-148.262160-83.3-171.2000112C1019C1019-L1021 PolarHBondContact SG-N 3.07Å
1022C20.6Very low25.5Very low113 Ų113144.3 Ų144.376%0.76480%0.796SS**  trans-118.5111.5158.1-76.60000109.1
1023P29.6Very low25.5Very low124 Ų124143.4 Ų143.481%0.80580%0.796SS**PPolyproline II helixtrans-77145.7151.9-4.422.9000109.3
1024M23.8Very low25.3Very low167 Ų167137.4 Ų137.482%0.82379%0.787SS**PPolyproline II helixtrans-70156.5-170.3-76.1-86.3-80.600114.6
1025S21Very low25.2Very low95 Ų95140.9 Ų140.966%0.66479%0.788SS**PPolyproline II helixtrans-62.1141.6155.349.50000111.7
1026I23.9Very low25.3Very low145 Ų145147 Ų14774%0.74480%0.797SS**  trans-163.6156.2149-105.2151.5000110.1
1027F26.1Very low25.1Very low194 Ų194145.9 Ų145.985%0.85179%0.792SS**  trans82.1136177.7-79.3-63.3000121.9
1028T24.4Very low25.1Very low123 Ų123145.5 Ų145.576%0.75579%0.789SS**  trans-118.7179.1-160.339.50000111
1029K21.6Very low24.8Very low193 Ų193147.4 Ų147.484%0.83979%0.787SS**  trans-21.7136.7165.3-55.3167.7177.5175.30115.3
1030Q22.2Very low24.3Very low180 Ų180149.2 Ų149.284%0.84180%0.799SS**  -170.1158.7102-116.7177.2-14.800115.7
1031S22.2Very low23.9Very low114 Ų114151.7 Ų151.780%0.79780%0.8SS**  trans48.9149.4150.757.70000123.3
1032A21.5Very low23.6Very low93 Ų93148.9 Ų148.977%0.76979%0.792SS**  trans-109.4157.317300000110.1
1033L23.1Very low23.7Very low168 Ų168151.7 Ų151.788%0.8880%0.799SS**  trans-153.6159.9161.7-143.886.2000112.7
1034S23.5Very low23.8Very low102 Ų102150.3 Ų150.371%0.71379%0.79SS**  trans65.6109.6173.667.50000116.2
1035R20.9Very low23.7Very low235 Ų235150 Ų15089%0.88779%0.791SS**  69.7106.361.9-67.7-177.5177.8164.4-0.5113.3
1036H29.9Very low24Very low199 Ų199151.6 Ų151.692%0.92180%0.801SS**  trans-136.8124.2145.1-109.2-60000109.8
1037I20.7Very low24Very low129 Ų129153.4 Ų153.466%0.66281%0.807SS**  trans-90.5135177.4-65.3160.1000108Y1039I1037-Y1039 HydrophobicContact CG2-CD2 3.99Å; I1037-Y1039 HydrophobicContact CG2-CE2 4.35Å
1038I28.8Very low24.2Very low165 Ų165149.6 Ų149.685%0.84680%0.802SS**  trans-137.1122.1150.8-65.2-172.8000108.1
1039Y20.8Very low24.2Very low181 Ų181153.9 Ų153.971%0.7181%0.81SS**  trans-69.1149.5172.8-94.3-103.7000112.4I1037I1037-Y1039 HydrophobicContact CG2-CD2 3.99Å; I1037-Y1039 HydrophobicContact CG2-CE2 4.35Å
1040C24.6Very low24.4Very low131 Ų131153.2 Ų153.289%0.88581%0.812SS**  trans-156.8127.4144.9-94.40000108.8
1041H21.4Very low24.4Very low166 Ų166149.2 Ų149.277%0.76980%0.803SS**  trans-77.8155.2-178.3-96.9-104.5000113.3
1042P25.6Very low24.6Very low110 Ų110148.7 Ų148.771%0.71480%0.799SS**  trans-99.3152169.238.1-32000112.7
1043L22.3Very low24.9Very low171 Ų171152.1 Ų152.190%0.89581%0.805SS**  trans-174.6160.6158.6-91.1-177000107.2
1044P32.7Very low25Very low96 Ų96149 Ų14962%0.62380%0.796SS**  -135.9176.1-53.836.5-18.1000114.4
1045L21.4Very low25.1Very low161 Ų161148.1 Ų148.184%0.84380%0.803SS**  trans43.9118.6145.6-67.1161.3000121.6
1046S27.4Very low25.3Very low127 Ų127145.3 Ų145.389%0.88880%0.802SS**  -167.9146.9125.421.70000111.8
1047E22.4Very low25.1Very low183 Ų183147.3 Ų147.386%0.85580%0.801SS**  trans-95.5176-166.7-98.6-171.6163.600114.2
1048P30.1Very low25.4Very low115 Ų115150.5 Ų150.575%0.74781%0.811SS**PPolyproline II helixtrans-92153.3-150.335.8-36.2000115.1
1049F26.1Very low25.3Very low213 Ų213150.9 Ų150.993%0.93481%0.811SS**PPolyproline II helixtrans-98.6137.5163.1-96.1-85.9000112.6
1050M24.5Very low25.6Very low178 Ų178150.7 Ų150.788%0.87782%0.819SS**PPolyproline II helixtrans-63.1151.5-170.1-79.7-71.5-174.600115.6
1051C22.5Very low25.8Very low97 Ų97150.7 Ų150.766%0.65581%0.809SS**PPolyproline II helixtrans-77.2126.6157.3179.60000109.9
1052S26.9Very low26.3Very low102 Ų102154 Ų15471%0.71382%0.815SS**  trans-136.9144.6157.658.20000109.2
1053N28.1Very low26.6Very low166 Ų166153.6 Ų153.689%0.88882%0.815SS**  trans69.361.2-177.4-63.9-25.5000117.9
1054C25.3Very low27Very low102 Ų102150.3 Ų150.369%0.68980%0.798SS**  trans-130.947.4155.171.90000114.3M1056C1054-M1056 PolarHBondContact O-N 3Å
1055G24.1Very low27.2Very low83 Ų83153.4 Ų153.486%0.85680%0.801SS**  trans-83.4101.9173.800000113.4
1056M25.3Very low27.9Very low177 Ų177149.8 Ų149.887%0.87279%0.79SS**  trans-89.1117.8166.6-74.4-147.2-54.500111.4C1054C1054-M1056 PolarHBondContact O-N 3Å
1057R25.4Very low28.1Very low240 Ų240150 Ų15091%0.90678%0.777SS**  trans-142.973.7164.5-119.8179.3-179.3173.8-0.2112.5
1058F28.1Very low28.8Very low197 Ų197144.8 Ų144.886%0.86476%0.757SS**  trans-14354.7169.5-100.5-72.9000111.8
1059M26.1Very low29Very low172 Ų172144.2 Ų144.285%0.84775%0.747SS**  trans-120.93.4178-79.5-153.967.200116.3
1060M26.6Very low29.4Very low178 Ų178139.4 Ų139.488%0.87773%0.732SS**SBendtrans-103.432178.9-73.3-158.6-17800115.8
1061L28.7Very low29.8Very low131 Ų131136.5 Ų136.569%0.68672%0.718SS**SBendtrans-121.628.1171.7-75.2175.4000114.1
1062R32.3Very low30.3Very low234 Ų234138.1 Ų138.188%0.88372%0.72SS**SBendtrans-114.6-9.9173.5-125.6177.6-172.2148.85.7116
1063S31.3Very low30.6Very low102 Ų102140.2 Ų140.271%0.71372%0.723SS**SBendtrans-89.5-41.7170-1240000112.6K1065 S1066S1063-K1065 PolarHBondContact O-N 3.21Å; S1063-S1066 PolarHBondContact O-N 3.13Å
1064L32.3Very low30.5Very low103 Ų103135.4 Ų135.454%0.53971%0.713SS.*Hα-helixtrans-55.9-28.2178.9-103.486.8000114S1066 H1067 V1068L1064-S1066 PolarHBondContact O-N 3.27Å; L1064-H1067 PolarHBondContact O-N 3.39Å; L1064-V1068 PolarHBondContact O-N 3.09Å
1065K36.4Very low30.5Very low160 Ų160136.3 Ų136.370%0.69672%0.715SS**Hα-helixtrans-68-14.6177.5-169.3156.5-172.6155.80114S1063S1063-K1065 PolarHBondContact O-N 3.21Å
1066S35.3Very low30.7Very low86 Ų86140.1 Ų140.160%0.60172%0.716SS**Hα-helixtrans-87.9-20.3168.8-159.50000112.9S1063 L1064S1063-S1066 PolarHBondContact O-N 3.13Å; L1064-S1066 PolarHBondContact O-N 3.27Å
1067H31.2Very low30.7Very low132 Ų132139.6 Ų139.661%0.61171%0.714SS**Hα-helixtrans-92.7-44.7-175.2-137.960.9000111.4L1064 N1069 N1070 I1071L1064-H1067 PolarHBondContact O-N 3.39Å; H1067-N1069 PolarHBondContact O-N 3.39Å; H1067-N1070 PolarHBondContact O-N 2.99Å; H1067-I1071 PolarHBondContact O-N 2.84Å
1068V37.2Very low30.6Very low73 Ų73134.1 Ų134.144%0.44271%0.712SS.*Hα-helixtrans-62.7-27.2175.2178.70000112.2L1064 N1070 L1072L1064-V1068 PolarHBondContact O-N 3.09Å; V1068-N1070 VanDerWaalsContact C-N 3.28Å; V1068-N1070 PolarHBondContact O-N 2.76Å; V1068-L1072 HydrophobicContact CG1-CD1 4.24Å; V1068-L1072 PolarHBondContact O-N 2.82Å
1069N35.1Very low30.5Very low102 Ų102131.6 Ų131.655%0.54571%0.712SS.*Hα-helixtrans-73.6-14.5174.6-100.437.7000114.1H1067H1067-N1069 PolarHBondContact O-N 3.39Å
1070N34.1Very low30.5Very low113 Ų113128.2 Ų128.260%0.60471%0.705SS**Hα-helixtrans-93.3-33174.1-70.84.9000111.2H1067 V1068 L1072 N1073H1067-N1070 PolarHBondContact O-N 2.99Å; V1068-N1070 VanDerWaalsContact C-N 3.28Å; V1068-N1070 PolarHBondContact O-N 2.76Å; N1070-L1072 VanDerWaalsContact C-N 3.33Å; N1070-L1072 PolarHBondContact O-N 2.89Å; N1070-N1073 PolarHBondContact O-N 3.4Å
1071I33.5Very low30.2Very low116 Ų116129.8 Ų129.860%0.59571%0.707SS**Hα-helixtrans-69-30.6179.3-63.5170000111.7H1067 N1073 G1074H1067-I1071 PolarHBondContact O-N 2.84Å; I1071-N1073 PolarHBondContact O-N 3.46Å; I1071-G1074 PolarHBondContact O-N 3.42Å
1072L32.1Very low30Very low131 Ų131128.2 Ų128.269%0.68671%0.707SS**THydrogen-bonded Turntrans-78.99.2178.7-72.2170.6000115.4V1068 N1070V1068-L1072 HydrophobicContact CG1-CD1 4.24Å; V1068-L1072 PolarHBondContact O-N 2.82Å; N1070-L1072 VanDerWaalsContact C-N 3.33Å; N1070-L1072 PolarHBondContact O-N 2.89Å
1073N34.1Very low29.7Very low146 Ų146122.9 Ų122.978%0.78170%0.701SS**THydrogen-bonded Turntrans-103.65168.5-73.7-7000112.7N1070 I1071N1070-N1073 PolarHBondContact O-N 3.4Å; I1071-N1073 PolarHBondContact O-N 3.46Å
1074G25.1Very low29.3Very low65 Ų65124.6 Ų124.667%0.6770%0.701SS**SBendtrans-102.713.2-174.400000116I1071I1071-G1074 PolarHBondContact O-N 3.42Å
1075V27Very low28.7Very low122 Ų122127.7 Ų127.774%0.73971%0.713SS**  trans-127.284.8-179-174.50000109.3
1076D27.6Very low28.1Very low163 Ų163128.3 Ų128.387%0.87272%0.718SS**  trans-174.651.3157-91.7-22.4000109.1
1077I25.3Very low27.7Very low165 Ų165133.2 Ų133.285%0.84673%0.732SS**  trans-13777.3167.4-51.9179.1000108.9
1078C22.6Very low27.1Very low125 Ų125135.4 Ų135.485%0.84574%0.742SS**  trans-171.7155.7158.5-101.70000109
1079V25.7Very low26.4Very low144 Ų144136.9 Ų136.987%0.87376%0.756SS**  trans70.6111.7-167.1-166.60000111.5
1080S27.3Very low26Very low101 Ų101137.7 Ų137.771%0.70677%0.765SS**  cis-153.3143.28.141.50000113.1S1082S1080-S1082 PolarHBondContact O-N 3.09Å
1081K21Very low25.5Very low212 Ų212138.5 Ų138.592%0.92277%0.769SS**  trans-51.6131152.2-74175.4169.3-179.70109.8
1082S23.5Very low25Very low98 Ų98141 Ų14169%0.68578%0.783SS**  trans179.8149.7134.655.70000112.3S1080S1080-S1082 PolarHBondContact O-N 3.09Å
1083T25.2Very low24.7Very low121 Ų121142.2 Ų142.274%0.74279%0.787SS**  trans71.4101.6164.559.60000119.9
1084L23.5Very low24.4Very low139 Ų139141.9 Ų141.973%0.72878%0.784SS**  trans67.3117.1145.6-79.177.3000117.3
1085E20Very low24.2Very low167 Ų167143.5 Ų143.578%0.7878%0.778SS**  54.995.851.4-55.5-178.1163.600113.2
1086Q24.3Very low24.1Very low174 Ų174144.4 Ų144.481%0.81378%0.778SS**  173.1154119.6-92.6171.814.200110.5
1087Q25.6Very low23.9Very low189 Ų189144.6 Ų144.688%0.88377%0.774SS**  trans75.966.7174-59.4-177.7-7.400116
1088E19.9Very low24Very low178 Ų178143.2 Ų143.283%0.83277%0.767SS**  trans-50.6160.7140.9-56.5166.3121.800112.4
1089S22.6Very low24Very low104 Ų104144.4 Ų144.473%0.72775%0.754SS**  trans60.3113.4162.675.50000115.6
1090T25.7Very low24Very low119 Ų119143.7 Ų143.773%0.7375%0.745SS**  168.215284.5370000106.1
1091N24.7Very low23.8Very low129 Ų129142.3 Ų142.369%0.6975%0.748SS**  cis-136.9132.36.8-83.7-50.9000110
1092N22Very low23.9Very low168 Ų168141.6 Ų141.690%0.89875%0.745SS**  trans-73.6118.6136.3-81-23.3000106.3
1093M25.2Very low23.9Very low157 Ų157143.8 Ų143.877%0.77375%0.749SS**  trans-160137.3153.8-122.8-166.4152.500113.3
1094I28.4Very low23.7Very low140 Ų140143.6 Ų143.672%0.71875%0.747SS**  trans76.288.3158-55.1164.2000115.1
1095N21.5Very low23.7Very low99 Ų99142 Ų14253%0.52975%0.748SS.*  trans-47.8135.7140.1-56.4-37.2000110.3C1508N1095-C1508 PolarHBondContact ND2-SG 3.4Å; N1095-C1508 PolarHBondContact OD1-SG 3.39Å
1096N24.2Very low23.9Very low140 Ų140142.9 Ų142.975%0.74975%0.749SS**  -177.7139.8125.2-94.2-12.5000110.4
1097E23.2Very low23.9Very low167 Ų167141 Ų14178%0.7874%0.744SS**  trans50.9120.6158.6-54.9-174.1167.700118.9
1098L28.3Very low23.9Very low136 Ų136138 Ų13871%0.71273%0.734SS**  -172.5120.896.5-100.8162000114.7N1100L1098-N1100 PolarHBondContact O-N 3.42Å
1099R22.9Very low24.3Very low150 Ų150136.5 Ų136.557%0.56673%0.731SS**  trans-73.6115.3155.1-81.4-178.1179-179.52.1111.1I1511 Y1512R1099-I1511 HydrophobicContact CB-CG2 4.32Å; R1099-I1511 HydrophobicContact CG-CB 4.33Å; R1099-I1511 HydrophobicContact CG-CD1 3.69Å; R1099-I1511 HydrophobicContact CG-CG1 3.61Å; R1099-I1511 HydrophobicContact CG-CG2 3.62Å; R1099-Y1512 WeakPolarHBondContact CA-OH 3.32Å; R1099-Y1512 WeakPolarHBondContact CB-OH 3.41Å
1100N24.2Very low24.4Very low129 Ų129137.9 Ų137.969%0.6974%0.736SS**  trans111.9134.3153.7-67.1-74000113.6L1098 Y1512L1098-N1100 PolarHBondContact O-N 3.42Å; N1100-Y1512 WeakPolarHBondContact CA-OH 3.43Å; N1100-Y1512 PolarHBondContact N-OH 3.42Å; N1100-Y1512 PolarHBondContact ND2-OH 3.31Å; N1100-Y1512 PolarHBondContact OD1-OH 2.83Å
1101G24.4Very low24.5Very low73 Ų73143 Ų14375%0.75374%0.742SS**  trans156.494.8165.200000114.7
1102K22.2Very low24.7Very low197 Ų197144.7 Ų144.786%0.85775%0.751SS**  trans-67.9129.9154.3-60.2162-176.7165.90107.1
1103N23.5Very low25.2Very low144 Ų144145.1 Ų145.177%0.7775%0.752SS**  175.3125.4129.4-89.4-19000115.6
1104T22.2Very low25.6Very low117 Ų117147 Ų14772%0.71876%0.756SS**  trans32.5115.2137.861.10000122.7
1105S23.3Very low25.8Very low105 Ų105151.4 Ų151.473%0.73476%0.763SS**  99.5134119.482.20000122.5
1106K23.6Very low26.3Very low185 Ų185153.5 Ų153.580%0.80478%0.775SS**  trans79.9126.4143.1-79.8175.7178.3176.50122.4
1107L25.1Very low26.9Very low134 Ų134151.9 Ų151.970%0.70277%0.77SS**  trans94.1127.2136-103.374.9000121.6
1108N24.5Very low27.5Very low126 Ų126151.3 Ų151.367%0.67477%0.767SS**  trans56.1131.9139.5-62.9-2.3000119.9
1109N28.8Very low27.6Very low147 Ų147152.7 Ų152.779%0.78677%0.77SS**  -161.8145.251.5-115.9-33.3000114.2
1110T24.2Very low28.2Very low133 Ų133151.8 Ų151.882%0.81678%0.775SS**  trans-108.4114.7165.645.90000110.7
1111R27.5Very low28.9Very low228 Ų228148.3 Ų148.386%0.8676%0.761SS**  trans-171101.5161.4-103165.1-165.4-168.24109.3
1112N28.9Very low29.5Very low164 Ų164150.1 Ų150.188%0.87775%0.753SS**  trans171.135.3151-88.2-10.1000115.5
1113L33.5Very low30.1Very low177 Ų177147.4 Ų147.493%0.92775%0.747SS**  trans-123.180.8164.1-88.292.4000110.8
1114K32.5Very low31Very low197 Ų197143.1 Ų143.186%0.85773%0.728SS**  trans-143.810.5178.5-104.9-167.3178.4-170.10117
1115R33.2Very low31.8Very low231 Ų231140.2 Ų140.287%0.87271%0.713SS**SBendtrans-116.4-17.9179.4-86.5-176.3171.6162.3-2.5117.5T1117R1115-T1117 PolarHBondContact O-N 3.43Å
1116N32Very low32.6Very low144 Ų144140.4 Ų140.477%0.7771%0.706SS**THydrogen-bonded Turntrans-88.913.6-174.3-67.116.3000115.4
1117T37.9Very low33.7Very low105 Ų105136.8 Ų136.864%0.64470%0.695SS**THydrogen-bonded Turntrans-90.1-12.1-177.644.70000115.3R1115R1115-T1117 PolarHBondContact O-N 3.43Å
1118H35.3Very low34.7Very low155 Ų155133.7 Ų133.772%0.71868%0.681SS**SBendtrans-93.4-13.3-172.9-87.4-71.7000116.1S1121H1118-S1121 PolarHBondContact O-OG 3.11Å
1119Q30Very low35.7Very low165 Ų165132.3 Ų132.377%0.77167%0.674SS**SBendtrans-90.5-22.3177.9-72.6177.8-19.300113.3S1121Q1119-S1121 VanDerWaalsContact C-N 3.33Å; Q1119-S1121 PolarHBondContact O-N 3.03Å
1120I36.3Very low36.6Very low132 Ų132130.7 Ų130.768%0.67766%0.661SS**Hα-helixtrans-73.2-24-176.5-60.5173.9000112.2
1121S38.7Very low37.3Very low56 Ų56127.1 Ų127.139%0.39264%0.637SS.*Hα-helixtrans-66-39.5179.5490000113.1H1118 Q1119 S1124H1118-S1121 PolarHBondContact O-OG 3.11Å; Q1119-S1121 VanDerWaalsContact C-N 3.33Å; Q1119-S1121 PolarHBondContact O-N 3.03Å; S1121-S1124 WeakPolarHBondContact O-CB 3.3Å; S1121-S1124 PolarHBondContact O-N 3.15Å; S1121-S1124 PolarHBondContact O-OG 2.41Å
1122N35.8Very low38.2Very low111 Ų111119.6 Ų119.659%0.59462%0.623SS**Hα-helixtrans-81.4-22.8-166.5-64.913.4000113.4S1124 S1125N1122-S1124 VanDerWaalsContact C-N 3.26Å; N1122-S1125 PolarHBondContact O-OG 3.28Å
1123L34.8Very low38.8Very low140 Ų140118.4 Ų118.473%0.73361%0.61SS**Hα-helixtrans-70.9-23.9168.4-87.585.7000112.3
1124S42.5Very low38.8Very low53 Ų53115.8 Ų115.837%0.37160%0.596SS.*Hα-helixtrans-76.3-28.3-174.776.60000114S1121 N1122 V1128S1121-S1124 WeakPolarHBondContact O-CB 3.3Å; S1121-S1124 PolarHBondContact O-N 3.15Å; S1121-S1124 PolarHBondContact O-OG 2.41Å; N1122-S1124 VanDerWaalsContact C-N 3.26Å; S1124-V1128 WeakPolarHBondContact O-CG2 3.37Å
1125S39.7Very low39Very low56 Ų56114.8 Ų114.839%0.39260%0.595SS.*Hα-helixtrans-71.1-51.4177.249.20000111.7N1122 L1127 V1128 D1129N1122-S1125 PolarHBondContact O-OG 3.28Å; S1125-L1127 VanDerWaalsContact C-N 3.26Å; S1125-L1127 PolarHBondContact O-N 3.31Å; S1125-V1128 WeakPolarHBondContact O-CB 3.46Å; S1125-V1128 PolarHBondContact O-N 2.59Å; S1125-D1129 PolarHBondContact O-N 3.41Å
1126N39.9Very low39.5Very low109 Ų109107.1 Ų107.158%0.58358%0.575SS**Hα-helixtrans-64.9-31.5-171-61.55.9000112.2V1128 E1130N1126-V1128 VanDerWaalsContact C-N 3.35Å; N1126-E1130 PolarHBondContact O-N 3.36Å
1127L46.4Very low39.7Very low110 Ų110104 Ų10458%0.57656%0.564SS**Hα-helixtrans-69.9-30.7176.1-15588.2000112.7S1125 I1131S1125-L1127 VanDerWaalsContact C-N 3.26Å; S1125-L1127 PolarHBondContact O-N 3.31Å; L1127-I1131 HydrophobicContact CD2-CD1 4.32Å; L1127-I1131 HydrophobicContact CG-CD1 4.27Å; L1127-I1131 WeakPolarHBondContact O-CD1 3.35Å; L1127-I1131 VanDerWaalsContact O-CG1 3.26Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.21Å; L1127-I1131 PolarHBondContact O-N 3.38Å
1128V47.5Very low40.1Very low68 Ų68105.6 Ų105.641%0.41257%0.569SS.*Hα-helixtrans-72.4-42.2178.5171.40000110.5S1124 S1125 N1126 I1131 A1132 V1155S1124-V1128 WeakPolarHBondContact O-CG2 3.37Å; S1125-V1128 WeakPolarHBondContact O-CB 3.46Å; S1125-V1128 PolarHBondContact O-N 2.59Å; N1126-V1128 VanDerWaalsContact C-N 3.35Å; V1128-I1131 PolarHBondContact O-N 2.78Å; V1128-A1132 WeakPolarHBondContact O-CB 3.38Å; V1128-A1132 PolarHBondContact O-N 3.44Å; V1128-V1155 HydrophobicContact CG2-CG1 4.33Å
1129D44.3Very low40.2Very low97 Ų97107.1 Ų107.152%0.51958%0.576SS.*Hα-helixtrans-67.1-37.4-179.5-68.2-28.8000112.7S1125 A1132 K1133S1125-D1129 PolarHBondContact O-N 3.41Å; D1129-A1132 PolarHBondContact O-N 2.81Å; D1129-K1133 WeakPolarHBondContact O-CG 3.47Å; D1129-K1133 PolarHBondContact O-N 2.77Å
1130E47.4Very low41.7Very low113 Ų113101.6 Ų101.653%0.52855%0.551SS.*Hα-helixtrans-67.3-40.3173.5-75.4-57.3122.100112.6N1126 A1132 K1133N1126-E1130 PolarHBondContact O-N 3.36Å; E1130-A1132 VanDerWaalsContact C-N 3.25Å; E1130-A1132 PolarHBondContact O-N 3.1Å; E1130-K1133 PolarHBondContact O-N 2.98Å; E1130-K1133 IonicContact OE1-NZ 2.65Å; E1130-K1133 PolarHBondContact OE1-NZ 3.18Å
1131I40Very low42.8Very low59 Ų5997.5 Ų97.530%0.30354%0.535SS..Hα-helixtrans-69.4-24.7177.4-67.7170000112L1127 V1128 R1152L1127-I1131 HydrophobicContact CD2-CD1 4.32Å; L1127-I1131 HydrophobicContact CG-CD1 4.27Å; L1127-I1131 WeakPolarHBondContact O-CD1 3.35Å; L1127-I1131 VanDerWaalsContact O-CG1 3.26Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.21Å; L1127-I1131 PolarHBondContact O-N 3.38Å; V1128-I1131 PolarHBondContact O-N 2.78Å; I1131-R1152 HydrophobicContact CG2-CG 4.24Å; I1131-R1152 PolarHBondContact O-NH2 2.92Å
1132A45.1Very low43.8Very low69 Ų69102.1 Ų102.157%0.5755%0.554SS**Hα-helixtrans-70.4-32.8175.500000113V1128 D1129 E1130 L1134V1128-A1132 WeakPolarHBondContact O-CB 3.38Å; V1128-A1132 PolarHBondContact O-N 3.44Å; D1129-A1132 PolarHBondContact O-N 2.81Å; E1130-A1132 VanDerWaalsContact C-N 3.25Å; E1130-A1132 PolarHBondContact O-N 3.1Å; A1132-L1134 VanDerWaalsContact C-N 3.27Å; A1132-L1134 PolarHBondContact O-N 3.39Å
1133K42.6Very low45.4Very low140 Ų140100.5 Ų100.561%0.60955%0.552SS**Hα-helixtrans-69.4-19-179.5-67.4169.8-170.5173.10114D1129 E1130 Q1135D1129-K1133 WeakPolarHBondContact O-CG 3.47Å; D1129-K1133 PolarHBondContact O-N 2.77Å; E1130-K1133 PolarHBondContact O-N 2.98Å; E1130-K1133 IonicContact OE1-NZ 2.65Å; E1130-K1133 PolarHBondContact OE1-NZ 3.18Å; K1133-Q1135 PolarHBondContact O-N 3Å
1134L33.5Very low46.6Very low122 Ų12297.9 Ų97.964%0.63954%0.536SS*.  trans-75.793.3-179.6-66.3173.3000112.3A1132 R1152A1132-L1134 VanDerWaalsContact C-N 3.27Å; A1132-L1134 PolarHBondContact O-N 3.39Å; L1134-R1152 PolarHBondContact O-NH2 3.49Å
1135Q36.7Very low47.8Very low175 Ų17599.3 Ų99.382%0.81854%0.535SS*.  trans-73.7125.6164.1-78.8-75.2-21.600110.3K1133 S1137K1133-Q1135 PolarHBondContact O-N 3Å; Q1135-S1137 PolarHBondContact O-N 3.4Å
1136P43.6Very low49.1Very low71 Ų71105 Ų10546%0.46155%0.549SS..  trans-77.8113.1-17429.9-33.6000112L1140P1136-L1140 HydrophobicContact CB-CD1 4.47Å
1137S36.5Very low50.6Low78 Ų78105.5 Ų105.555%0.54555%0.552SS.*  trans-60.6147.5173.158.80000112Q1135 H1139Q1135-S1137 PolarHBondContact O-N 3.4Å; S1137-H1139 PolarHBondContact O-N 3.19Å; S1137-H1139 VanDerWaalsContact O-N 3.08Å
1138N45.5Very low51.8Low139 Ų139103.6 Ų103.674%0.74354%0.541SS*.THydrogen-bonded Turntrans-68.5-14.2-164.7-89.5-37000115.3L1140 K1145N1138-L1140 PolarHBondContact O-N 3Å; N1138-K1145 PolarHBondContact O-NZ 2.83Å
1139H37.5Very low52.8Low186 Ų186106.3 Ų106.386%0.86155%0.547SS*.THydrogen-bonded Turntrans-83.3-3.9-174.2-60.3-74.9000115.2S1137S1137-H1139 PolarHBondContact O-N 3.19Å; S1137-H1139 VanDerWaalsContact O-N 3.08Å
1140L60.9Low53.6Low49 Ų49102.9 Ų102.926%0.25753%0.532SS..  trans-71.8132.8176.9-73.2157.3000112.6P1136 N1138 E1144 K1145 I1148P1136-L1140 HydrophobicContact CB-CD1 4.47Å; N1138-L1140 PolarHBondContact O-N 3Å; L1140-E1144 HydrophobicContact CB-CB 4.41Å; L1140-E1144 HydrophobicContact CD2-CB 3.88Å; L1140-E1144 HydrophobicContact CD2-CG 4.38Å; L1140-K1145 HydrophobicContact CB-CG 4.1Å; L1140-K1145 WeakPolarHBondContact O-CE 3.3Å; L1140-K1145 PolarHBondContact O-NZ 2.95Å; L1140-I1148 HydrophobicContact CD1-CD1 4.11Å
1141S59.5Low54.2Low46 Ų4699.8 Ų99.832%0.32253%0.527SS..  trans-65.2161177.774.40000112.4S1143 E1144 K1145S1141-S1143 PolarHBondContact O-N 3.22Å; S1141-S1143 PolarHBondContact OG-OG 3.03Å; S1141-E1144 WeakPolarHBondContact CA-OE2 3.48Å; S1141-E1144 WeakPolarHBondContact CB-OE2 3.31Å; S1141-E1144 PolarHBondContact N-OE2 3.33Å; S1141-E1144 PolarHBondContact O-N 3.43Å; S1141-E1144 VanDerWaalsContact O-N 3.1Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.47Å; S1141-E1144 PolarHBondContact OG-N 2.79Å; S1141-E1144 PolarHBondContact OG-OE2 3.3Å; S1141-K1145 PolarHBondContact O-N 3.42Å
1142L60.9Low55Low153 Ų153101.2 Ų101.280%0.80153%0.528SS*.Hα-helixtrans-62-28.1-179.6-160.173.5000112.7Y1146L1142-Y1146 WeakPolarHBondContact O-CB 3.35Å; L1142-Y1146 PolarHBondContact O-N 2.92Å
1143S68Low55.5Low78 Ų78102.4 Ų102.455%0.54552%0.522SS..Hα-helixtrans-66.8-45.9172.616.50000112.4S1141 Y1146 L1147S1141-S1143 PolarHBondContact O-N 3.22Å; S1141-S1143 PolarHBondContact OG-OG 3.03Å; S1143-Y1146 WeakPolarHBondContact O-CB 3.44Å; S1143-Y1146 PolarHBondContact O-N 3.09Å; S1143-L1147 WeakPolarHBondContact O-CG 3.33Å; S1143-L1147 PolarHBondContact O-N 3.17Å
1144E61.1Low55.8Low85 Ų85104.4 Ų104.440%0.39753%0.525SS..Hα-helixtrans-70.2-42.4-178.6-68152.4146.100110.8L1140 S1141 Y1146 L1147 I1148L1140-E1144 HydrophobicContact CB-CB 4.41Å; L1140-E1144 HydrophobicContact CD2-CB 3.88Å; L1140-E1144 HydrophobicContact CD2-CG 4.38Å; S1141-E1144 WeakPolarHBondContact CA-OE2 3.48Å; S1141-E1144 WeakPolarHBondContact CB-OE2 3.31Å; S1141-E1144 PolarHBondContact N-OE2 3.33Å; S1141-E1144 PolarHBondContact O-N 3.43Å; S1141-E1144 VanDerWaalsContact O-N 3.1Å; S1141-E1144 WeakPolarHBondContact OG-CG 3.47Å; S1141-E1144 PolarHBondContact OG-N 2.79Å; S1141-E1144 PolarHBondContact OG-OE2 3.3Å; E1144-Y1146 PolarHBondContact O-N 3.21Å; E1144-L1147 PolarHBondContact O-N 2.98Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.24Å; E1144-I1148 PolarHBondContact O-N 2.97Å
1145K67.5Low56.5Low83 Ų83100.8 Ų100.836%0.36151%0.509SS..Hα-helixtrans-57.7-34.4171.6-69.5177.8177.9167.40112.1N1138 L1140 S1141 K1149N1138-K1145 PolarHBondContact O-NZ 2.83Å; L1140-K1145 HydrophobicContact CB-CG 4.1Å; L1140-K1145 WeakPolarHBondContact O-CE 3.3Å; L1140-K1145 PolarHBondContact O-NZ 2.95Å; S1141-K1145 PolarHBondContact O-N 3.42Å; K1145-K1149 WeakPolarHBondContact O-CB 3.19Å; K1145-K1149 PolarHBondContact O-N 2.97Å
1146Y67.3Low57Low174 Ų17499.2 Ų99.268%0.68250%0.501SS*.Hα-helixtrans-74.4-36.4174.4-161.1-80.1000112.9L1142 S1143 E1144 A1150L1142-Y1146 WeakPolarHBondContact O-CB 3.35Å; L1142-Y1146 PolarHBondContact O-N 2.92Å; S1143-Y1146 WeakPolarHBondContact O-CB 3.44Å; S1143-Y1146 PolarHBondContact O-N 3.09Å; E1144-Y1146 PolarHBondContact O-N 3.21Å; Y1146-A1150 WeakPolarHBondContact O-CB 3.47Å; Y1146-A1150 PolarHBondContact O-N 2.78Å
1147L70.7Confident57.1Low121 Ų121102.5 Ų102.563%0.63452%0.515SS*.Hα-helixtrans-67.2-45.9176.1-75.5168.3000111.9S1143 E1144 K1149 A1150 A1151S1143-L1147 WeakPolarHBondContact O-CG 3.33Å; S1143-L1147 PolarHBondContact O-N 3.17Å; E1144-L1147 PolarHBondContact O-N 2.98Å; L1147-K1149 VanDerWaalsContact C-N 3.31Å; L1147-K1149 PolarHBondContact O-N 3.47Å; L1147-A1150 CarbonylContact O-C 3.54Å; L1147-A1150 PolarHBondContact O-N 3.49Å; L1147-A1150 VanDerWaalsContact O-N 3.13Å; L1147-A1151 PolarHBondContact O-N 3.5Å
1148I70.8Confident57.1Low70 Ų70103.9 Ų103.936%0.35952%0.52SS..Hα-helixtrans-59.5-43.7175.6-65.4165.6000110.3L1140 E1144 A1151 R1152L1140-I1148 HydrophobicContact CD1-CD1 4.11Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.24Å; E1144-I1148 PolarHBondContact O-N 2.97Å; I1148-A1151 PolarHBondContact O-N 3.15Å; I1148-R1152 PolarHBondContact O-N 3.26Å
1149K69.5Low56.5Low124 Ų124100.4 Ų100.454%0.53950%0.504SS..Hα-helixtrans-62.2-43.4174.1-179.3169.2175.1168.10112.4K1145 L1147 A1151 R1152 E1153K1145-K1149 WeakPolarHBondContact O-CB 3.19Å; K1145-K1149 PolarHBondContact O-N 2.97Å; L1147-K1149 VanDerWaalsContact C-N 3.31Å; L1147-K1149 PolarHBondContact O-N 3.47Å; K1149-A1151 VanDerWaalsContact C-N 3.27Å; K1149-A1151 PolarHBondContact O-N 3.31Å; K1149-R1152 PolarHBondContact O-N 3.43Å; K1149-E1153 WeakPolarHBondContact CE-OE1 3.26Å; K1149-E1153 HydrophobicContact CG-CG 4.48Å; K1149-E1153 IonicContact NZ-OE1 2.77Å; K1149-E1153 WeakPolarHBondContact O-CB 3.45Å; K1149-E1153 WeakPolarHBondContact O-CG 3.26Å; K1149-E1153 PolarHBondContact O-N 3.25Å
1150A60.7Low56Low25 Ų2597 Ų9721%0.20750%0.501CS..Hα-helixtrans-68.4-25.6178.100000113.2Y1146 L1147 R1154Y1146-A1150 WeakPolarHBondContact O-CB 3.47Å; Y1146-A1150 PolarHBondContact O-N 2.78Å; L1147-A1150 CarbonylContact O-C 3.54Å; L1147-A1150 PolarHBondContact O-N 3.49Å; L1147-A1150 VanDerWaalsContact O-N 3.13Å; A1150-R1154 WeakPolarHBondContact O-CG 3.46Å; A1150-R1154 PolarHBondContact O-N 3.2Å
1151A59.4Low54.5Low49 Ų49103.3 Ų103.341%0.40553%0.527SS..Hα-helixtrans-71.7-51170.900000111L1147 I1148 K1149 E1153 R1154 V1155L1147-A1151 PolarHBondContact O-N 3.5Å; I1148-A1151 PolarHBondContact O-N 3.15Å; K1149-A1151 VanDerWaalsContact C-N 3.27Å; K1149-A1151 PolarHBondContact O-N 3.31Å; A1151-E1153 PolarHBondContact O-N 3.17Å; A1151-R1154 WeakPolarHBondContact O-CB 3.37Å; A1151-R1154 PolarHBondContact O-N 3.07Å; A1151-V1155 PolarHBondContact O-N 2.74Å; A1151-V1155 VanDerWaalsContact O-N 3.09Å
1152R57.2Low53.4Low88 Ų88106.7 Ų106.733%0.33255%0.547SS..Hα-helixtrans-54.8-48.9174.2-73.3-174.8173.2168.40.6111.7I1131 L1134 I1148 K1149 R1154 V1155 E1156I1131-R1152 HydrophobicContact CG2-CG 4.24Å; I1131-R1152 PolarHBondContact O-NH2 2.92Å; L1134-R1152 PolarHBondContact O-NH2 3.49Å; I1148-R1152 PolarHBondContact O-N 3.26Å; K1149-R1152 PolarHBondContact O-N 3.43Å; R1152-R1154 PolarHBondContact O-N 3.41Å; R1152-R1154 VanDerWaalsContact O-N 3.17Å; R1152-V1155 PolarHBondContact O-N 3.3Å; R1152-E1156 WeakPolarHBondContact O-CG 3.14Å; R1152-E1156 PolarHBondContact O-N 3.26Å
1153E57.1Low51.7Low95 Ų95108.2 Ų108.244%0.44455%0.548SS..Hα-helixtrans-60.4-25175.3-76.9-177-174.900113.3K1149 A1151 N1157K1149-E1153 WeakPolarHBondContact CE-OE1 3.26Å; K1149-E1153 HydrophobicContact CG-CG 4.48Å; K1149-E1153 IonicContact NZ-OE1 2.77Å; K1149-E1153 WeakPolarHBondContact O-CB 3.45Å; K1149-E1153 WeakPolarHBondContact O-CG 3.26Å; K1149-E1153 PolarHBondContact O-N 3.25Å; A1151-E1153 PolarHBondContact O-N 3.17Å; E1153-N1157 WeakPolarHBondContact O-CB 3.3Å; E1153-N1157 PolarHBondContact O-ND2 2.78Å
1154R47.9Very low49.8Very low181 Ų181112.8 Ų112.868%0.68357%0.565SS**Hα-helixtrans-78.2-46174.1-80.9-175-165.9129.2-1.6112.2A1150 A1151 R1152 N1157 T1158A1150-R1154 WeakPolarHBondContact O-CG 3.46Å; A1150-R1154 PolarHBondContact O-N 3.2Å; A1151-R1154 WeakPolarHBondContact O-CB 3.37Å; A1151-R1154 PolarHBondContact O-N 3.07Å; R1152-R1154 PolarHBondContact O-N 3.41Å; R1152-R1154 VanDerWaalsContact O-N 3.17Å; R1154-N1157 PolarHBondContact O-N 3.3Å; R1154-N1157 VanDerWaalsContact O-N 3.1Å; R1154-T1158 PolarHBondContact O-N 2.69Å; R1154-T1158 PolarHBondContact O-OG1 3.4Å
1155V48.6Very low48.1Very low47 Ų47115.4 Ų115.429%0.28558%0.581SS.*Hα-helixtrans-61.4-45.9-178.7177.80000110.6V1128 A1151 R1152 N1157 T1158V1128-V1155 HydrophobicContact CG2-CG1 4.33Å; A1151-V1155 PolarHBondContact O-N 2.74Å; A1151-V1155 VanDerWaalsContact O-N 3.09Å; R1152-V1155 PolarHBondContact O-N 3.3Å; V1155-N1157 PolarHBondContact O-N 2.81Å; V1155-T1158 WeakPolarHBondContact CA-OG1 3.09Å; V1155-T1158 PolarHBondContact O-N 3.28Å; V1155-T1158 VanDerWaalsContact O-N 3.13Å; V1155-T1158 PolarHBondContact O-OG1 2.97Å
1156E47.7Very low46.2Very low142 Ų142119.2 Ų119.266%0.66460%0.603SS**Hα-helixtrans-59.3-32.2174.6-71.2172.5-170.200113.1R1152R1152-E1156 WeakPolarHBondContact O-CG 3.14Å; R1152-E1156 PolarHBondContact O-N 3.26Å
1157N45.2Very low44.1Very low139 Ų139117.1 Ų117.174%0.74360%0.604SS**THydrogen-bonded Turntrans-86-5.8179.8-83.4-68.5000114.1E1153 R1154 V1155E1153-N1157 WeakPolarHBondContact O-CB 3.3Å; E1153-N1157 PolarHBondContact O-ND2 2.78Å; R1154-N1157 PolarHBondContact O-N 3.3Å; R1154-N1157 VanDerWaalsContact O-N 3.1Å; V1155-N1157 PolarHBondContact O-N 2.81Å
1158T37.1Very low42Very low108 Ų108116.9 Ų116.966%0.66361%0.613SS**THydrogen-bonded Turntrans-96-20.7178.137.40000114.5R1154 V1155 S1160R1154-T1158 PolarHBondContact O-N 2.69Å; R1154-T1158 PolarHBondContact O-OG1 3.4Å; V1155-T1158 WeakPolarHBondContact CA-OG1 3.09Å; V1155-T1158 PolarHBondContact O-N 3.28Å; V1155-T1158 VanDerWaalsContact O-N 3.13Å; V1155-T1158 PolarHBondContact O-OG1 2.97Å; T1158-S1160 PolarHBondContact O-N 3.35Å
1159V31.6Very low39.8Very low65 Ų65122 Ų12239%0.39464%0.635SS.*  trans-90.194.7179.8-172.60000110.5F1161V1159-F1161 HydrophobicContact CG1-CD2 4.06Å; V1159-F1161 HydrophobicContact CG1-CE2 3.65Å
1160S28.3Very low37.7Very low114 Ų114120.9 Ų120.980%0.79764%0.642SS**  trans-92.8116.6-179.858.80000113.1T1158T1158-S1160 PolarHBondContact O-N 3.35Å
1161F28.3Very low36.4Very low183 Ų183127.9 Ų127.980%0.80368%0.675SS**  trans-90.7163.1173.5-87.1-83.2000112.5V1159V1159-F1161 HydrophobicContact CG1-CD2 4.06Å; V1159-F1161 HydrophobicContact CG1-CE2 3.65Å
1162P35.6Very low34.8Very low116 Ų116133 Ų13375%0.75370%0.696SS**  -109.6174.4-112.839.9-37.8000115.6
1163K26.6Very low33.6Very low186 Ų186137.8 Ų137.881%0.80972%0.722SS**  trans-70.8124.9177.7-63.6170.4-179.9170.90111.3
1164L27Very low32Very low174 Ų174142.1 Ų142.191%0.91174%0.742SS**  trans-90.8115.3152.8-74.2168.1000108.3
1165L26.3Very low31.2Very low139 Ų139139.1 Ų139.173%0.72875%0.748SS**  trans-92.6127.7168.6-92.7136.6000107.8
1166I28.2Very low30.1Very low163 Ų163144.3 Ų144.384%0.83678%0.775SS**  trans-129.4126.6162.9-65.7179.8000106.3
1167D21.9Very low29.4Very low131 Ų131146.6 Ų146.670%0.70178%0.783SS**  trans-80.7151.3-174.5-65.6-63.1000113
1168S27.1Very low28.8Very low116 Ų116145.9 Ų145.981%0.81179%0.786SS**  trans-176.695.8136.624.90000111.6
1169H25.2Very low28.9Very low177 Ų177146 Ų14682%0.81979%0.786SS**  trans26.5137.8135.8-87.1-85.6000123.6
1170S25.9Very low29.8Very low100 Ų100148.5 Ų148.570%0.69981%0.807SS**  trans76.297.1139.5-610000119.7
1171L32.4Very low31.8Very low173 Ų173145 Ų14591%0.90679%0.788SS**  -157.2108.6121.1-107.5166.8000110.2
1172N25.5Very low34.6Very low155 Ų155138.4 Ų138.483%0.82976%0.761SS**  trans-76.6123.6175.5-90.5-32000110.6
1173H32.7Very low37.1Very low190 Ų190135 Ų13588%0.8874%0.736SS**  trans-147.9121.5147.1-100.6-69.5000110.3
1174Q24.1Very low40.2Very low186 Ų186126.2 Ų126.287%0.86970%0.698SS**  trans-78.9132.5179.2-65.3171.1-12.300111
1175S29.7Very low43.1Very low117 Ų117124.8 Ų124.882%0.81869%0.691SS**  trans-176.4140.6132360000111
1176N26.7Very low46Very low156 Ų156122.6 Ų122.683%0.83468%0.679SS**  trans-76.8123-166.4-65.8-38.9000113.4
1177F31.1Very low49.1Very low191 Ų191117 Ų11784%0.83865%0.654SS**  trans-148.4123.3147.5-85.9-71.5000110.8V1179F1177-V1179 PolarHBondContact O-N 3.45Å
1178P33.8Very low52.4Low123 Ų123116.5 Ų116.580%0.79965%0.651SS**  trans-77.887.4-178.431.1-34.4000111.2S1180P1178-S1180 VanDerWaalsContact C-N 3.3Å; P1178-S1180 PolarHBondContact O-N 3.03Å
1179V39.7Very low55.4Low110 Ų110116.2 Ų116.267%0.66764%0.636SS**  trans-77.282.4173.5-175.30000109.9F1177 G1181 I1183F1177-V1179 PolarHBondContact O-N 3.45Å; V1179-G1181 PolarHBondContact O-N 3.26Å; V1179-I1183 HydrophobicContact CG1-CD1 4.15Å
1180S50.5Low58.5Low119 Ų119113.3 Ų113.383%0.83263%0.626SS**  trans-70.842165.356.30000112.3P1178P1178-S1180 VanDerWaalsContact C-N 3.3Å; P1178-S1180 PolarHBondContact O-N 3.03Å
1181G69.8Low61.7Low39 Ų39110.9 Ų110.940%0.40260%0.603SS.*  trans-74.8137.3176.700000110.7V1179 I1183V1179-G1181 PolarHBondContact O-N 3.26Å; G1181-I1183 PolarHBondContact O-N 2.79Å
1182N87.4Confident64.5Low45 Ų45109.1 Ų109.124%0.24160%0.599CS.*EExtended strand (participates in β ladder)trans-74.967.3166.2-58-88.2000108.8F1191 K1194 L1197N1182-F1191 HydrophobicContact CB-CB 4.15Å; N1182-F1191 WeakPolarHBondContact CB-O 3.23Å; N1182-F1191 WeakPolarHBondContact O-CB 3.34Å; N1182-F1191 WeakPolarHBondContact O-CD2 3.43Å; N1182-F1191 PolarHBondContact O-N 3.26Å; N1182-K1194 WeakPolarHBondContact OD1-CA 3.36Å; N1182-K1194 VanDerWaalsContact OD1-CB 3.28Å; N1182-K1194 WeakPolarHBondContact OD1-CB 3.11Å; N1182-K1194 PolarHBondContact OD1-N 3.15Å; N1182-L1197 HydrophobicContact CB-CB 3.99Å; N1182-L1197 HydrophobicContact CB-CD2 3.87Å
1183I87.9Confident67.5Low46 Ų46107.7 Ų107.724%0.23659%0.586CS.*EExtended strand (participates in β ladder)trans-88.8142.4179.6-48.6-172.2000108.5V1179 G1181 K1189 N1190V1179-I1183 HydrophobicContact CG1-CD1 4.15Å; G1181-I1183 PolarHBondContact O-N 2.79Å; I1183-K1189 WeakPolarHBondContact CA-O 3.33Å; I1183-N1190 WeakPolarHBondContact CD1-OD1 3.48Å; I1183-N1190 HydrophobicContact CG1-CB 4.48Å; I1183-N1190 WeakPolarHBondContact CG1-OD1 3.41Å; I1183-N1190 WeakPolarHBondContact CG2-OD1 3.21Å
1184C91.8Very high70.2Confident0 Ų0105.8 Ų105.80%058%0.575CS.*EExtended strand (participates in β ladder)trans-90.3111.6169.8178.30000110.7I1186 C1187 N1188 K1189 F1191 L1197 H1200 L1201 H1204C1184-I1186 PolarHBondContact O-N 3.49Å; C1184-C1187 PolarHBondContact O-N 2.94Å; C1184-C1187 VanDerWaalsContact O-N 3.13Å; C1184-N1188 VanDerWaalsContact O-CA 3.25Å; C1184-N1188 WeakPolarHBondContact O-CA 3.44Å; C1184-N1188 PolarHBondContact O-N 2.74Å; C1184-K1189 PolarHBondContact N-O 2.85Å; C1184-F1191 HydrophobicContact CB-CE2 4.15Å; C1184-L1197 HydrophobicContact CB-CD1 3.62Å; C1184-H1200 WeakPolarHBondContact CB-CD2 3.18Å; C1184-H1200 WeakPolarHBondContact CB-NE2 3.48Å; C1184-H1200 PolarHBondContact SG-NE2 3.18Å; C1184-H1200 VanDerWaalsContact SG-NE2 3.4Å; C1184-L1201 VanDerWaalsContact SG-CD2 3.59Å; C1184-H1204 VanDerWaalsContact SG-CD2 3.55Å
1185N87.6Confident73.3Confident145 Ų145100.4 Ų100.478%0.77556%0.558SS**THydrogen-bonded Turntrans-59.6-18.1-178-56.56.5000113.9
1186I87.9Confident76.2Confident92 Ų9297.7 Ų97.747%0.47253%0.534SS..THydrogen-bonded Turntrans-88.3-20.5-177.6-48.7170.3000112.1C1184 L1201 H1204 F1205C1184-I1186 PolarHBondContact O-N 3.49Å; I1186-L1201 HydrophobicContact CD1-CD2 4.42Å; I1186-H1204 HydrophobicContact CD1-CB 3.62Å; I1186-H1204 WeakPolarHBondContact CG2-ND1 3.46Å; I1186-F1205 HydrophobicContact CD1-CE1 4.01Å; I1186-F1205 HydrophobicContact CD1-CE2 4.44Å; I1186-F1205 HydrophobicContact CD1-CZ 3.84Å
1187C93.1Very high79.3Confident45 Ų4591.3 Ų91.330%0.30450%0.5SS..THydrogen-bonded Turntrans-146.616.9175.473.90000115.6C1184 K1189 H1200 H1204C1184-C1187 PolarHBondContact O-N 2.94Å; C1184-C1187 VanDerWaalsContact O-N 3.13Å; C1187-K1189 PolarHBondContact O-N 2.89Å; C1187-K1189 VanDerWaalsContact O-N 3.07Å; C1187-K1189 VanDerWaalsContact SG-CD 3.57Å; C1187-K1189 PolarHBondContact SG-NZ 3.48Å; C1187-H1200 PolarHBondContact SG-CE1 3.29Å; C1187-H1200 PolarHBondContact SG-NE2 2.93Å; C1187-H1204 PolarHBondContact SG-NE2 3.4Å
1188N90.5Very high82.1Confident121 Ų12189.9 Ų89.965%0.64749%0.489SS*.THydrogen-bonded Turntrans46.236.9178.5-64.7-15.9000114.9C1184C1184-N1188 VanDerWaalsContact O-CA 3.25Å; C1184-N1188 WeakPolarHBondContact O-CA 3.44Å; C1184-N1188 PolarHBondContact O-N 2.74Å
1189K90.7Very high84.7Confident111 Ų11187.2 Ų87.248%0.48346%0.464SS..EExtended strand (participates in β ladder)trans-88.5125.7172.9-73.7179.1-168.5123.10110.7I1183 C1184 C1187 F1191I1183-K1189 WeakPolarHBondContact CA-O 3.33Å; C1184-K1189 PolarHBondContact N-O 2.85Å; C1187-K1189 PolarHBondContact O-N 2.89Å; C1187-K1189 VanDerWaalsContact O-N 3.07Å; C1187-K1189 VanDerWaalsContact SG-CD 3.57Å; C1187-K1189 PolarHBondContact SG-NZ 3.48Å; K1189-F1191 HydrophobicContact CB-CE2 3.59Å; K1189-F1191 HydrophobicContact CB-CZ 3.86Å; K1189-F1191 WeakPolarHBondContact O-CD2 3.35Å; K1189-F1191 WeakPolarHBondContact O-CE2 3.04Å
1190N90.3Very high87.2Confident115 Ų11582.9 Ų82.962%0.61544%0.436SS*.EExtended strand (participates in β ladder)trans-85.2130.5176.1-60.415.8000110.5I1183I1183-N1190 WeakPolarHBondContact CD1-OD1 3.48Å; I1183-N1190 HydrophobicContact CG1-CB 4.48Å; I1183-N1190 WeakPolarHBondContact CG1-OD1 3.41Å; I1183-N1190 WeakPolarHBondContact CG2-OD1 3.21Å
1191F93.1Very high89.1Confident50 Ų5079.6 Ų79.622%0.21941%0.409CS..EExtended strand (participates in β ladder)trans-110.7144.7175.7-64.2-89.2000110.8N1182 C1184 K1189 K1193 D1196 L1197 H1200N1182-F1191 HydrophobicContact CB-CB 4.15Å; N1182-F1191 WeakPolarHBondContact CB-O 3.23Å; N1182-F1191 WeakPolarHBondContact O-CB 3.34Å; N1182-F1191 WeakPolarHBondContact O-CD2 3.43Å; N1182-F1191 PolarHBondContact O-N 3.26Å; C1184-F1191 HydrophobicContact CB-CE2 4.15Å; K1189-F1191 HydrophobicContact CB-CE2 3.59Å; K1189-F1191 HydrophobicContact CB-CZ 3.86Å; K1189-F1191 WeakPolarHBondContact O-CD2 3.35Å; K1189-F1191 WeakPolarHBondContact O-CE2 3.04Å; F1191-K1193 PolarHBondContact O-N 3.37Å; F1191-D1196 HydrophobicContact CB-CB 4.32Å; F1191-D1196 HydrophobicContact CD1-CB 3.86Å; F1191-D1196 HydrophobicContact CG-CB 4.44Å; F1191-L1197 HydrophobicContact CB-CB 4.03Å; F1191-L1197 HydrophobicContact CD2-CB 3.99Å; F1191-L1197 HydrophobicContact CD2-CD1 3.82Å; F1191-L1197 HydrophobicContact CE2-CD1 4.19Å; F1191-L1197 HydrophobicContact CG-CB 4.08Å; F1191-H1200 HydrophobicContact CE1-CB 3.8Å; F1191-H1200 HydrophobicContact CE2-CB 4.03Å; F1191-H1200 AromaticContact CE2-CD2 3.06Å; F1191-H1200 WeakPolarHBondContact CE2-CD2 3.24Å; F1191-H1200 AromaticContact CE2-CG 3.69Å; F1191-H1200 AromaticContact CE2-NE2 3.75Å; F1191-H1200 HydrophobicContact CZ-CB 3.48Å; F1191-H1200 VanDerWaalsContact CZ-CB 3.48Å; F1191-H1200 AromaticContact CZ-CD2 3.1Å; F1191-H1200 WeakPolarHBondContact CZ-CD2 3.48Å; F1191-H1200 AromaticContact CZ-CG 3.22Å; F1191-H1200 AromaticContact CZ-ND1 3.99Å; F1191-H1200 AromaticContact CZ-NE2 3.73Å
1192T89.6Confident90.2Very high135 Ų13579 Ų7983%0.82840%0.397SS*.SBendtrans-79.7-6.7176.952.80000113.2
1193K89.4Confident90.2Very high125 Ų12580.5 Ų80.554%0.54341%0.407SS..SBendtrans-146.9138.9-178.1-60.4-171.5176-161.90110.8F1191 S1195 D1196 L1197F1191-K1193 PolarHBondContact O-N 3.37Å; K1193-S1195 PolarHBondContact O-N 3.3Å; K1193-D1196 HydrophobicContact CB-CB 4.36Å; K1193-D1196 PolarHBondContact O-N 3.43Å; K1193-L1197 PolarHBondContact O-N 2.88Å
1194K88.9Confident90.2Very high150 Ų15081.6 Ų81.665%0.65241%0.411SS*.Hα-helixtrans-55.8-32.8173.5-165.8169.7-177.2173.10112.9N1182 R1198N1182-K1194 WeakPolarHBondContact OD1-CA 3.36Å; N1182-K1194 VanDerWaalsContact OD1-CB 3.28Å; N1182-K1194 WeakPolarHBondContact OD1-CB 3.11Å; N1182-K1194 PolarHBondContact OD1-N 3.15Å; K1194-R1198 WeakPolarHBondContact O-CB 3.13Å; K1194-R1198 PolarHBondContact O-N 3.22Å
1195S89.2Confident90.1Very high74 Ų7487.9 Ų87.952%0.51744%0.439SS..Hα-helixtrans-72.4-31.3175.852.40000114.1K1193 Y1199K1193-S1195 PolarHBondContact O-N 3.3Å; S1195-Y1199 WeakPolarHBondContact O-CB 3.13Å; S1195-Y1199 PolarHBondContact O-N 3.31Å
1196D90.6Very high90Very high59 Ų5983.1 Ų83.132%0.31642%0.424SS..Hα-helixtrans-75.8-36.7173.5-71.3-50.1000110.9F1191 K1193 H1200F1191-D1196 HydrophobicContact CB-CB 4.32Å; F1191-D1196 HydrophobicContact CD1-CB 3.86Å; F1191-D1196 HydrophobicContact CG-CB 4.44Å; K1193-D1196 HydrophobicContact CB-CB 4.36Å; K1193-D1196 PolarHBondContact O-N 3.43Å; D1196-H1200 WeakPolarHBondContact O-CB 3.49Å; D1196-H1200 PolarHBondContact O-N 2.99Å
1197L92.8Very high90Very high22 Ų2282.7 Ų82.712%0.11542%0.422CS..Hα-helixtrans-60.8-50.9168.6172.462.1000111.1N1182 C1184 F1191 K1193 Y1199 H1200 L1201N1182-L1197 HydrophobicContact CB-CB 3.99Å; N1182-L1197 HydrophobicContact CB-CD2 3.87Å; C1184-L1197 HydrophobicContact CB-CD1 3.62Å; F1191-L1197 HydrophobicContact CB-CB 4.03Å; F1191-L1197 HydrophobicContact CD2-CB 3.99Å; F1191-L1197 HydrophobicContact CD2-CD1 3.82Å; F1191-L1197 HydrophobicContact CE2-CD1 4.19Å; F1191-L1197 HydrophobicContact CG-CB 4.08Å; K1193-L1197 PolarHBondContact O-N 2.88Å; L1197-Y1199 VanDerWaalsContact C-N 3.33Å; L1197-Y1199 PolarHBondContact O-N 3.46Å; L1197-H1200 CarbonylContact O-C 3.52Å; L1197-H1200 WeakPolarHBondContact O-CA 3.47Å; L1197-H1200 WeakPolarHBondContact O-CB 3.48Å; L1197-H1200 PolarHBondContact O-N 2.86Å; L1197-L1201 HydrophobicContact CD1-CD1 4.05Å; L1197-L1201 HydrophobicContact CD1-CD2 4.41Å; L1197-L1201 HydrophobicContact CD1-CG 3.92Å; L1197-L1201 HydrophobicContact CD2-CD1 4.47Å; L1197-L1201 HydrophobicContact CG-CD1 3.91Å; L1197-L1201 HydrophobicContact CG-CG 4.24Å; L1197-L1201 WeakPolarHBondContact O-CG 3.43Å; L1197-L1201 PolarHBondContact O-N 2.81Å
1198R90.2Very high90Very high162 Ų16286 Ų8661%0.61143%0.428SS*.Hα-helixtrans-56.5-46.1177.3-173.8-176.6-70164-6.1111.5K1194 H1200 L1201 N1202K1194-R1198 WeakPolarHBondContact O-CB 3.13Å; K1194-R1198 PolarHBondContact O-N 3.22Å; R1198-H1200 PolarHBondContact O-N 2.96Å; R1198-L1201 PolarHBondContact O-N 3.09Å; R1198-N1202 PolarHBondContact O-N 3.32Å; R1198-N1202 PolarHBondContact O-OD1 3.35Å
1199Y88.4Confident89.8Confident67 Ų6783.2 Ų83.226%0.26342%0.416SS..Hα-helixtrans-58.7-34.8174.5172.7-97.4000112.9S1195 L1197 V1203 M1220 K1221S1195-Y1199 WeakPolarHBondContact O-CB 3.13Å; S1195-Y1199 PolarHBondContact O-N 3.31Å; L1197-Y1199 VanDerWaalsContact C-N 3.33Å; L1197-Y1199 PolarHBondContact O-N 3.46Å; Y1199-V1203 HydrophobicContact CE1-CG2 4.39Å; Y1199-M1220 HydrophobicContact CE2-CB 3.56Å; Y1199-M1220 WeakPolarHBondContact CE2-O 3.49Å; Y1199-K1221 HydrophobicContact CD2-CD 4.18Å; Y1199-K1221 HydrophobicContact CD2-CG 3.72Å; Y1199-K1221 VanDerWaalsContact CE1-CE 3.45Å; Y1199-K1221 HydrophobicContact CE2-CD 3.8Å; Y1199-K1221 HydrophobicContact CE2-CG 3.21Å
1200H91.9Very high90Very high19 Ų1982.6 Ų82.69%0.08841%0.412CS..Hα-helixtrans-80.1-34.6178.9168.257.3000113.3C1184 C1187 F1191 D1196 L1197 R1198 N1202 V1203 H1204C1184-H1200 WeakPolarHBondContact CB-CD2 3.18Å; C1184-H1200 WeakPolarHBondContact CB-NE2 3.48Å; C1184-H1200 PolarHBondContact SG-NE2 3.18Å; C1184-H1200 VanDerWaalsContact SG-NE2 3.4Å; C1187-H1200 PolarHBondContact SG-CE1 3.29Å; C1187-H1200 PolarHBondContact SG-NE2 2.93Å; F1191-H1200 HydrophobicContact CE1-CB 3.8Å; F1191-H1200 HydrophobicContact CE2-CB 4.03Å; F1191-H1200 AromaticContact CE2-CD2 3.06Å; F1191-H1200 WeakPolarHBondContact CE2-CD2 3.24Å; F1191-H1200 AromaticContact CE2-CG 3.69Å; F1191-H1200 AromaticContact CE2-NE2 3.75Å; F1191-H1200 HydrophobicContact CZ-CB 3.48Å; F1191-H1200 VanDerWaalsContact CZ-CB 3.48Å; F1191-H1200 AromaticContact CZ-CD2 3.1Å; F1191-H1200 WeakPolarHBondContact CZ-CD2 3.48Å; F1191-H1200 AromaticContact CZ-CG 3.22Å; F1191-H1200 AromaticContact CZ-ND1 3.99Å; F1191-H1200 AromaticContact CZ-NE2 3.73Å; D1196-H1200 WeakPolarHBondContact O-CB 3.49Å; D1196-H1200 PolarHBondContact O-N 2.99Å; L1197-H1200 CarbonylContact O-C 3.52Å; L1197-H1200 WeakPolarHBondContact O-CA 3.47Å; L1197-H1200 WeakPolarHBondContact O-CB 3.48Å; L1197-H1200 PolarHBondContact O-N 2.86Å; R1198-H1200 PolarHBondContact O-N 2.96Å; H1200-N1202 VanDerWaalsContact C-N 3.28Å; H1200-N1202 PolarHBondContact O-N 2.94Å; H1200-V1203 WeakPolarHBondContact O-CA 3.47Å; H1200-V1203 VanDerWaalsContact O-CB 3.27Å; H1200-V1203 WeakPolarHBondContact O-CB 3.02Å; H1200-V1203 PolarHBondContact O-N 2.97Å; H1200-H1204 AromaticContact CE1-CD2 3.46Å; H1200-H1204 PolarHBondContact CE1-CD2 3.11Å; H1200-H1204 VanDerWaalsContact CE1-CD2 3.46Å; H1200-H1204 AromaticContact CE1-NE2 3.13Å; H1200-H1204 PolarHBondContact CE1-NE2 3.43Å; H1200-H1204 AromaticContact NE2-CD2 3.64Å; H1200-H1204 AromaticContact NE2-NE2 3.35Å; H1200-H1204 PolarHBondContact NE2-NE2 2.81Å; H1200-H1204 PolarHBondContact O-N 2.92Å
1201L90.7Very high90Very high49 Ų4980.6 Ų80.626%0.25740%0.398SS..Hα-helixtrans-60.1-40.1169.7-72.2170.5000110.6C1184 I1186 L1197 R1198 V1203 H1204 F1205C1184-L1201 VanDerWaalsContact SG-CD2 3.59Å; I1186-L1201 HydrophobicContact CD1-CD2 4.42Å; L1197-L1201 HydrophobicContact CD1-CD1 4.05Å; L1197-L1201 HydrophobicContact CD1-CD2 4.41Å; L1197-L1201 HydrophobicContact CD1-CG 3.92Å; L1197-L1201 HydrophobicContact CD2-CD1 4.47Å; L1197-L1201 HydrophobicContact CG-CD1 3.91Å; L1197-L1201 HydrophobicContact CG-CG 4.24Å; L1197-L1201 WeakPolarHBondContact O-CG 3.43Å; L1197-L1201 PolarHBondContact O-N 2.81Å; R1198-L1201 PolarHBondContact O-N 3.09Å; L1201-V1203 PolarHBondContact O-N 3.35Å; L1201-V1203 VanDerWaalsContact O-N 3.13Å; L1201-H1204 WeakPolarHBondContact O-CA 3.46Å; L1201-H1204 WeakPolarHBondContact O-CB 3.37Å; L1201-H1204 PolarHBondContact O-N 2.84Å; L1201-F1205 HydrophobicContact CB-CD2 4.2Å; L1201-F1205 HydrophobicContact CB-CE2 4.01Å; L1201-F1205 HydrophobicContact CD2-CE2 4.15Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.23Å; L1201-F1205 PolarHBondContact O-N 3.18Å
1202N91.4Very high90Very high28 Ų2878.2 Ų78.215%0.1539%0.388CS..Hα-helixtrans-58.4-23.9170.4-72.828.5000113.8R1198 H1200 G1206 I1207 M1220R1198-N1202 PolarHBondContact O-N 3.32Å; R1198-N1202 PolarHBondContact O-OD1 3.35Å; H1200-N1202 VanDerWaalsContact C-N 3.28Å; H1200-N1202 PolarHBondContact O-N 2.94Å; N1202-G1206 CarbonylContact O-C 3.5Å; N1202-G1206 WeakPolarHBondContact O-CA 3.23Å; N1202-G1206 PolarHBondContact O-N 3.4Å; N1202-I1207 WeakPolarHBondContact CB-O 3.23Å; N1202-I1207 PolarHBondContact O-N 3Å; N1202-I1207 VanDerWaalsContact O-N 3.13Å; N1202-M1220 HydrophobicContact CB-SD 4.34Å; N1202-M1220 WeakPolarHBondContact O-CE 3.29Å
1203V87.9Confident90.1Very high76 Ų7677.2 Ų77.246%0.46138%0.378SS..Hα-helixtrans-76.4-34.2172.3-178.50000111.4Y1199 H1200 L1201Y1199-V1203 HydrophobicContact CE1-CG2 4.39Å; H1200-V1203 WeakPolarHBondContact O-CA 3.47Å; H1200-V1203 VanDerWaalsContact O-CB 3.27Å; H1200-V1203 WeakPolarHBondContact O-CB 3.02Å; H1200-V1203 PolarHBondContact O-N 2.97Å; L1201-V1203 PolarHBondContact O-N 3.35Å; L1201-V1203 VanDerWaalsContact O-N 3.13Å
1204H89.4Confident90.1Very high69 Ų6977.8 Ų77.832%0.31938%0.38SS..Hα-helixtrans-71.1-48.6175-79.9-76.5000112.3C1184 I1186 C1187 H1200 L1201 G1206C1184-H1204 VanDerWaalsContact SG-CD2 3.55Å; I1186-H1204 HydrophobicContact CD1-CB 3.62Å; I1186-H1204 WeakPolarHBondContact CG2-ND1 3.46Å; C1187-H1204 PolarHBondContact SG-NE2 3.4Å; H1200-H1204 AromaticContact CE1-CD2 3.46Å; H1200-H1204 PolarHBondContact CE1-CD2 3.11Å; H1200-H1204 VanDerWaalsContact CE1-CD2 3.46Å; H1200-H1204 AromaticContact CE1-NE2 3.13Å; H1200-H1204 PolarHBondContact CE1-NE2 3.43Å; H1200-H1204 AromaticContact NE2-CD2 3.64Å; H1200-H1204 AromaticContact NE2-NE2 3.35Å; H1200-H1204 PolarHBondContact NE2-NE2 2.81Å; H1200-H1204 PolarHBondContact O-N 2.92Å; L1201-H1204 WeakPolarHBondContact O-CA 3.46Å; L1201-H1204 WeakPolarHBondContact O-CB 3.37Å; L1201-H1204 PolarHBondContact O-N 2.84Å; H1204-G1206 PolarHBondContact O-N 2.91Å
1205F87.9Confident90.3Very high131 Ų13172.8 Ų72.858%0.57536%0.364SS*.SBendtrans-79.60.5179.6-57-60.8000113.7I1186 L1201 I1207I1186-F1205 HydrophobicContact CD1-CE1 4.01Å; I1186-F1205 HydrophobicContact CD1-CE2 4.44Å; I1186-F1205 HydrophobicContact CD1-CZ 3.84Å; L1201-F1205 HydrophobicContact CB-CD2 4.2Å; L1201-F1205 HydrophobicContact CB-CE2 4.01Å; L1201-F1205 HydrophobicContact CD2-CE2 4.15Å; L1201-F1205 WeakPolarHBondContact O-CD2 3.23Å; L1201-F1205 PolarHBondContact O-N 3.18Å; F1205-I1207 HydrophobicContact CB-CD1 3.67Å; F1205-I1207 HydrophobicContact CB-CG1 3.72Å; F1205-I1207 HydrophobicContact CG-CD1 4.38Å; F1205-I1207 PolarHBondContact O-N 3.31Å
1206G86.9Confident90.3Very high45 Ų4575.4 Ų75.446%0.46437%0.368SS..  trans66-1.4-176.100000115.7N1202 H1204 R1208N1202-G1206 CarbonylContact O-C 3.5Å; N1202-G1206 WeakPolarHBondContact O-CA 3.23Å; N1202-G1206 PolarHBondContact O-N 3.4Å; H1204-G1206 PolarHBondContact O-N 2.91Å; G1206-R1208 WeakPolarHBondContact O-CG 3.19Å; G1206-R1208 PolarHBondContact O-N 3.29Å
1207I88Confident90.4Very high83 Ų8380.6 Ų80.643%0.42638%0.383SS..  trans-64.2116.7-172.9-57.4169.6000110.9N1202 F1205 P1209N1202-I1207 WeakPolarHBondContact CB-O 3.23Å; N1202-I1207 PolarHBondContact O-N 3Å; N1202-I1207 VanDerWaalsContact O-N 3.13Å; F1205-I1207 HydrophobicContact CB-CD1 3.67Å; F1205-I1207 HydrophobicContact CB-CG1 3.72Å; F1205-I1207 HydrophobicContact CG-CD1 4.38Å; F1205-I1207 PolarHBondContact O-N 3.31Å; I1207-P1209 WeakPolarHBondContact O-CD 3.1Å
1208R91.4Very high90.3Very high115 Ų11585.6 Ų85.643%0.43440%0.4SS..  trans-111.582.2179.6-69164.378.7133.5-0.8109.6G1206 Y1210 R1218 F1219 M1220G1206-R1208 WeakPolarHBondContact O-CG 3.19Å; G1206-R1208 PolarHBondContact O-N 3.29Å; R1208-Y1210 VanDerWaalsContact C-N 3.25Å; R1208-Y1210 PolarHBondContact O-N 3.15Å; R1208-R1218 HydrophobicContact CB-CB 3.57Å; R1208-R1218 VanDerWaalsContact CZ-O 3.24Å; R1208-R1218 PolarHBondContact NE-O 3.4Å; R1208-R1218 PolarHBondContact NH2-O 3.5Å; R1208-R1218 WeakPolarHBondContact O-CB 3.22Å; R1208-R1218 PolarHBondContact O-NE 2.69Å; R1208-R1218 VanDerWaalsContact O-NE 3.1Å; R1208-F1219 CarbonylContact C-O 3.28Å; R1208-M1220 HydrophobicContact CB-SD 4.46Å; R1208-M1220 HydrophobicContact CG-CE 3.53Å; R1208-M1220 HydrophobicContact CG-CG 3.99Å; R1208-M1220 HydrophobicContact CG-SD 3.56Å; R1208-M1220 VanDerWaalsContact CG-SD 3.56Å
1209P88.2Confident90.5Very high63 Ų6379.3 Ų79.341%0.40938%0.377SS..  trans-73.5-10.5-165.929.4-36.3000114.6I1207I1207-P1209 WeakPolarHBondContact O-CD 3.1Å
1210Y93.7Very high90.6Very high97 Ų9777.5 Ų77.538%0.3837%0.372SS..EExtended strand (participates in β ladder)trans-105.895.7-175.6-58-75.1000111.5R1208 R1218 F1219 K1221 H1222R1208-Y1210 VanDerWaalsContact C-N 3.25Å; R1208-Y1210 PolarHBondContact O-N 3.15Å; Y1210-R1218 CarbonylContact O-C 3.59Å; Y1210-F1219 PolarHBondContact N-O 3.12Å; Y1210-F1219 VanDerWaalsContact N-O 3.16Å; Y1210-F1219 WeakPolarHBondContact O-CB 3.42Å; Y1210-F1219 WeakPolarHBondContact O-CD2 3.24Å; Y1210-F1219 PolarHBondContact O-N 3.12Å; Y1210-K1221 VanDerWaalsContact CD2-C 3.43Å; Y1210-H1222 HydrophobicContact CD1-CB 3.77Å; Y1210-H1222 VanDerWaalsContact CD2-N 3.26Å; Y1210-H1222 HydrophobicContact CE1-CB 3.74Å; Y1210-H1222 HydrophobicContact CG-CB 4.19Å
1211E91.1Very high90.5Very high73 Ų7380.1 Ų80.134%0.34138%0.382SS..EExtended strand (participates in β ladder)trans-85154.9178.6-163.3161.8125.500113.7H1216 R1218 L1225E1211-H1216 WeakPolarHBondContact OE1-CA 3.47Å; E1211-H1216 WeakPolarHBondContact OE1-CB 3.13Å; E1211-H1216 IonicContact OE1-CE1 3.91Å; E1211-H1216 IonicContact OE1-CG 3.45Å; E1211-H1216 IonicContact OE1-ND1 3.29Å; E1211-H1216 PolarHBondContact OE1-ND1 3.01Å; E1211-R1218 HydrophobicContact CB-CG 4.09Å; E1211-R1218 HydrophobicContact CG-CG 3.83Å; E1211-R1218 VanDerWaalsContact OE2-CD 3.29Å; E1211-R1218 WeakPolarHBondContact OE2-CD 3.13Å; E1211-R1218 WeakPolarHBondContact OE2-CG 3.25Å; E1211-R1218 IonicContact OE2-NE 2.6Å; E1211-L1225 VanDerWaalsContact O-CD1 3.23Å; E1211-L1225 WeakPolarHBondContact O-CD1 3.3Å; E1211-L1225 WeakPolarHBondContact O-CD2 3.21Å
1212C93.5Very high90.5Very high0 Ų081.6 Ų81.60%039%0.388CS..  trans-96.7105168.8-170.10000111.4K1214 C1215 H1216 R1217 F1219 L1225 H1228 H1233C1212-K1214 PolarHBondContact O-N 3.45Å; C1212-C1215 PolarHBondContact O-N 3.04Å; C1212-H1216 WeakPolarHBondContact O-CA 3.47Å; C1212-H1216 PolarHBondContact O-N 3.05Å; C1212-R1217 PolarHBondContact N-O 2.85Å; C1212-F1219 HydrophobicContact CB-CE2 4.25Å; C1212-L1225 HydrophobicContact CB-CD1 3.57Å; C1212-H1228 WeakPolarHBondContact CB-NE2 3.2Å; C1212-H1228 PolarHBondContact SG-CD2 3.2Å; C1212-H1228 PolarHBondContact SG-NE2 2.99Å; C1212-H1233 VanDerWaalsContact SG-CD2 3.58Å; C1212-H1233 PolarHBondContact SG-NE2 3.16Å
1213D91.2Very high90.4Very high114 Ų11483.4 Ų83.461%0.6140%0.403SS*.THydrogen-bonded Turntrans-54.90.9174.722-62.3000116K1229D1213-K1229 IonicContact OD1-NZ 2.76Å; D1213-K1229 PolarHBondContact OD1-NZ 3.13Å; D1213-K1229 IonicContact OD2-NZ 2.73Å; D1213-K1229 PolarHBondContact OD2-NZ 2.93Å
1214K88.3Confident90.8Very high138 Ų13883.2 Ų83.260%0.640%0.397SS*.THydrogen-bonded Turntrans-116.1-8.4172.9-70.5-171.5172.3-170.10115.8C1212 H1233C1212-K1214 PolarHBondContact O-N 3.45Å; K1214-H1233 WeakPolarHBondContact CB-CE1 3.25Å; K1214-H1233 WeakPolarHBondContact CB-ND1 3.36Å; K1214-H1233 HydrophobicContact CD-CB 3.7Å; K1214-H1233 PolarHBondContact O-CE1 2.9Å; K1214-H1233 VanDerWaalsContact O-CE1 3.29Å
1215C93.8Very high91Very high45 Ų4580.4 Ų80.430%0.30438%0.384SS..THydrogen-bonded Turntrans-156.418.3171.9680000114.4C1212 R1217 H1228 H1233C1212-C1215 PolarHBondContact O-N 3.04Å; C1215-R1217 PolarHBondContact O-N 2.9Å; C1215-H1228 PolarHBondContact SG-CE1 3.24Å; C1215-H1228 PolarHBondContact SG-NE2 3.04Å; C1215-H1233 PolarHBondContact SG-NE2 3.5Å
1216H89.5Confident91.2Very high129 Ų12982 Ų8260%0.59739%0.386SS*.  trans53.814176-57.4-73000116E1211 C1212 R1218E1211-H1216 WeakPolarHBondContact OE1-CA 3.47Å; E1211-H1216 WeakPolarHBondContact OE1-CB 3.13Å; E1211-H1216 IonicContact OE1-CE1 3.91Å; E1211-H1216 IonicContact OE1-CG 3.45Å; E1211-H1216 IonicContact OE1-ND1 3.29Å; E1211-H1216 PolarHBondContact OE1-ND1 3.01Å; C1212-H1216 WeakPolarHBondContact O-CA 3.47Å; C1212-H1216 PolarHBondContact O-N 3.05Å; H1216-R1218 PolarHBondContact O-N 2.96Å
1217R92.7Very high91.5Very high168 Ų16885.1 Ų85.163%0.63439%0.389SS*.  trans-71.7117.3175.2-74.1-174.7179.1-129.2-2.1109.9C1212 C1215 F1219C1212-R1217 PolarHBondContact N-O 2.85Å; C1215-R1217 PolarHBondContact O-N 2.9Å; R1217-F1219 HydrophobicContact CB-CE2 3.89Å; R1217-F1219 HydrophobicContact CB-CZ 3.98Å; R1217-F1219 WeakPolarHBondContact O-CD2 3.42Å; R1217-F1219 WeakPolarHBondContact O-CE2 3.4Å
1218R91.1Very high91.8Very high127 Ų12782.1 Ų82.148%0.47937%0.373SS..EExtended strand (participates in β ladder)trans-83.1143177.9-60.5-178.177.4-173.911.1112.2R1208 Y1210 E1211 H1216R1208-R1218 HydrophobicContact CB-CB 3.57Å; R1208-R1218 VanDerWaalsContact CZ-O 3.24Å; R1208-R1218 PolarHBondContact NE-O 3.4Å; R1208-R1218 PolarHBondContact NH2-O 3.5Å; R1208-R1218 WeakPolarHBondContact O-CB 3.22Å; R1208-R1218 PolarHBondContact O-NE 2.69Å; R1208-R1218 VanDerWaalsContact O-NE 3.1Å; Y1210-R1218 CarbonylContact O-C 3.59Å; E1211-R1218 HydrophobicContact CB-CG 4.09Å; E1211-R1218 HydrophobicContact CG-CG 3.83Å; E1211-R1218 VanDerWaalsContact OE2-CD 3.29Å; E1211-R1218 WeakPolarHBondContact OE2-CD 3.13Å; E1211-R1218 WeakPolarHBondContact OE2-CG 3.25Å; E1211-R1218 IonicContact OE2-NE 2.6Å; H1216-R1218 PolarHBondContact O-N 2.96Å
1219F93.4Very high91.7Very high30 Ų3079.3 Ų79.313%0.13236%0.364CS..EExtended strand (participates in β ladder)trans-130151.1-176.8-64.3-83.1000112.4R1208 Y1210 C1212 R1217 Q1224 L1225 H1228R1208-F1219 CarbonylContact C-O 3.28Å; Y1210-F1219 PolarHBondContact N-O 3.12Å; Y1210-F1219 VanDerWaalsContact N-O 3.16Å; Y1210-F1219 WeakPolarHBondContact O-CB 3.42Å; Y1210-F1219 WeakPolarHBondContact O-CD2 3.24Å; Y1210-F1219 PolarHBondContact O-N 3.12Å; C1212-F1219 HydrophobicContact CB-CE2 4.25Å; R1217-F1219 HydrophobicContact CB-CE2 3.89Å; R1217-F1219 HydrophobicContact CB-CZ 3.98Å; R1217-F1219 WeakPolarHBondContact O-CD2 3.42Å; R1217-F1219 WeakPolarHBondContact O-CE2 3.4Å; F1219-Q1224 HydrophobicContact CB-CB 4.12Å; F1219-Q1224 HydrophobicContact CD1-CB 3.79Å; F1219-Q1224 HydrophobicContact CG-CB 4.2Å; F1219-L1225 HydrophobicContact CB-CB 4.27Å; F1219-L1225 HydrophobicContact CD2-CB 3.86Å; F1219-L1225 HydrophobicContact CD2-CD1 3.73Å; F1219-L1225 HydrophobicContact CD2-CG 4.42Å; F1219-L1225 HydrophobicContact CE2-CD1 3.94Å; F1219-L1225 HydrophobicContact CG-CB 4.22Å; F1219-H1228 HydrophobicContact CE1-CB 3.89Å; F1219-H1228 HydrophobicContact CE2-CB 3.82Å; F1219-H1228 AromaticContact CE2-CD2 3.42Å; F1219-H1228 VanDerWaalsContact CE2-CD2 3.42Å; F1219-H1228 WeakPolarHBondContact CE2-CD2 3.36Å; F1219-H1228 AromaticContact CE2-CG 3.59Å; F1219-H1228 HydrophobicContact CZ-CB 3.34Å; F1219-H1228 AromaticContact CZ-CD2 3.55Å; F1219-H1228 AromaticContact CZ-CG 3.2Å; F1219-H1228 AromaticContact CZ-ND1 3.7Å
1220M90.9Very high91.8Very high29 Ų2983 Ų8314%0.14337%0.374CS..SBendtrans-79-25.5178.4-64.6-71.2-169.200112.4Y1199 N1202 R1208Y1199-M1220 HydrophobicContact CE2-CB 3.56Å; Y1199-M1220 WeakPolarHBondContact CE2-O 3.49Å; N1202-M1220 HydrophobicContact CB-SD 4.34Å; N1202-M1220 WeakPolarHBondContact O-CE 3.29Å; R1208-M1220 HydrophobicContact CB-SD 4.46Å; R1208-M1220 HydrophobicContact CG-CE 3.53Å; R1208-M1220 HydrophobicContact CG-CG 3.99Å; R1208-M1220 HydrophobicContact CG-SD 3.56Å; R1208-M1220 VanDerWaalsContact CG-SD 3.56Å
1221K88.9Confident91.6Very high73 Ų7384.7 Ų84.732%0.31738%0.383SS..SBendtrans-129.1141.2174-56-162.1178.4-159.30112.2Y1199 Y1210 S1223 Q1224 L1225Y1199-K1221 HydrophobicContact CD2-CD 4.18Å; Y1199-K1221 HydrophobicContact CD2-CG 3.72Å; Y1199-K1221 VanDerWaalsContact CE1-CE 3.45Å; Y1199-K1221 HydrophobicContact CE2-CD 3.8Å; Y1199-K1221 HydrophobicContact CE2-CG 3.21Å; Y1210-K1221 VanDerWaalsContact CD2-C 3.43Å; K1221-S1223 PolarHBondContact O-N 3.11Å; K1221-S1223 VanDerWaalsContact O-N 3.09Å; K1221-Q1224 HydrophobicContact CB-CG 4.17Å; K1221-Q1224 VanDerWaalsContact N-OE1 3.07Å; K1221-Q1224 WeakPolarHBondContact O-CA 3.27Å; K1221-Q1224 WeakPolarHBondContact O-CB 3.17Å; K1221-Q1224 PolarHBondContact O-N 3.42Å; K1221-L1225 PolarHBondContact O-N 2.88Å; K1221-L1225 VanDerWaalsContact O-N 3.15Å
1222H90.9Very high91.4Very high80 Ų8085 Ų8537%0.3739%0.39SS..Hα-helixtrans-52.6-32.8168.6-171.6-7000112.7Y1210 Q1224 L1225 R1226Y1210-H1222 HydrophobicContact CD1-CB 3.77Å; Y1210-H1222 VanDerWaalsContact CD2-N 3.26Å; Y1210-H1222 HydrophobicContact CE1-CB 3.74Å; Y1210-H1222 HydrophobicContact CG-CB 4.19Å; H1222-Q1224 PolarHBondContact O-N 2.89Å; H1222-L1225 WeakPolarHBondContact O-CB 3.41Å; H1222-L1225 PolarHBondContact O-N 3.16Å; H1222-R1226 PolarHBondContact CE1-NE 3.38Å; H1222-R1226 PolarHBondContact ND1-NE 3.43Å; H1222-R1226 PolarHBondContact NE2-NE 3.21Å; H1222-R1226 PolarHBondContact NE2-NH2 2.77Å; H1222-R1226 WeakPolarHBondContact O-CG 3.28Å; H1222-R1226 PolarHBondContact O-N 2.97Å
1223S90.6Very high91.1Very high66 Ų6687.5 Ų87.546%0.46240%0.402SS..Hα-helixtrans-69.7-28.5176.158.50000114K1221 Q1227K1221-S1223 PolarHBondContact O-N 3.11Å; K1221-S1223 VanDerWaalsContact O-N 3.09Å; S1223-Q1227 WeakPolarHBondContact O-CG 3.31Å; S1223-Q1227 PolarHBondContact O-N 3.15Å
1224Q94.8Very high90.5Very high72 Ų7288 Ų8834%0.33640%0.4SS..Hα-helixtrans-71.9-43.9170.7-66166.9-22.100110F1219 K1221 H1222 R1226 Q1227 H1228F1219-Q1224 HydrophobicContact CB-CB 4.12Å; F1219-Q1224 HydrophobicContact CD1-CB 3.79Å; F1219-Q1224 HydrophobicContact CG-CB 4.2Å; K1221-Q1224 HydrophobicContact CB-CG 4.17Å; K1221-Q1224 VanDerWaalsContact N-OE1 3.07Å; K1221-Q1224 WeakPolarHBondContact O-CA 3.27Å; K1221-Q1224 WeakPolarHBondContact O-CB 3.17Å; K1221-Q1224 PolarHBondContact O-N 3.42Å; H1222-Q1224 PolarHBondContact O-N 2.89Å; Q1224-R1226 PolarHBondContact O-N 3.34Å; Q1224-Q1227 PolarHBondContact O-N 3.25Å; Q1224-H1228 WeakPolarHBondContact O-CB 3.31Å; Q1224-H1228 PolarHBondContact O-N 2.84Å
1225L94.7Very high89.2Confident11 Ų1184.2 Ų84.26%0.05839%0.391CS..Hα-helixtrans-56.1-48.6173.6173.361.2000112.1E1211 C1212 F1219 K1221 H1222 Q1227 H1228 K1229E1211-L1225 VanDerWaalsContact O-CD1 3.23Å; E1211-L1225 WeakPolarHBondContact O-CD1 3.3Å; E1211-L1225 WeakPolarHBondContact O-CD2 3.21Å; C1212-L1225 HydrophobicContact CB-CD1 3.57Å; F1219-L1225 HydrophobicContact CB-CB 4.27Å; F1219-L1225 HydrophobicContact CD2-CB 3.86Å; F1219-L1225 HydrophobicContact CD2-CD1 3.73Å; F1219-L1225 HydrophobicContact CD2-CG 4.42Å; F1219-L1225 HydrophobicContact CE2-CD1 3.94Å; F1219-L1225 HydrophobicContact CG-CB 4.22Å; K1221-L1225 PolarHBondContact O-N 2.88Å; K1221-L1225 VanDerWaalsContact O-N 3.15Å; H1222-L1225 WeakPolarHBondContact O-CB 3.41Å; H1222-L1225 PolarHBondContact O-N 3.16Å; L1225-Q1227 VanDerWaalsContact C-N 3.34Å; L1225-Q1227 PolarHBondContact O-N 3.24Å; L1225-H1228 WeakPolarHBondContact O-CB 3.49Å; L1225-H1228 PolarHBondContact O-N 2.95Å; L1225-H1228 VanDerWaalsContact O-N 3.11Å; L1225-K1229 HydrophobicContact CD1-CD 4.39Å; L1225-K1229 HydrophobicContact CD1-CG 4.17Å; L1225-K1229 PolarHBondContact O-N 3.14Å
1226R92.1Very high86.7Confident164 Ų16489.1 Ų89.162%0.61941%0.414SS*.Hα-helixtrans-58.9-43.9175.6-70.9-176.9-163.7-144.7-1.9112H1222 Q1224 H1228 K1229 F1230H1222-R1226 PolarHBondContact CE1-NE 3.38Å; H1222-R1226 PolarHBondContact ND1-NE 3.43Å; H1222-R1226 PolarHBondContact NE2-NE 3.21Å; H1222-R1226 PolarHBondContact NE2-NH2 2.77Å; H1222-R1226 WeakPolarHBondContact O-CG 3.28Å; H1222-R1226 PolarHBondContact O-N 2.97Å; Q1224-R1226 PolarHBondContact O-N 3.34Å; R1226-H1228 VanDerWaalsContact C-N 3.27Å; R1226-H1228 PolarHBondContact O-N 3.14Å; R1226-K1229 PolarHBondContact O-N 3.18Å; R1226-F1230 WeakPolarHBondContact O-CB 3.46Å; R1226-F1230 PolarHBondContact O-N 2.97Å
1227Q92.4Very high84Confident111 Ų11191.7 Ų91.752%0.51943%0.429SS..Hα-helixtrans-66.3-29.6176.7-75.9-176.631.500113.1S1223 Q1224 L1225 K1231S1223-Q1227 WeakPolarHBondContact O-CG 3.31Å; S1223-Q1227 PolarHBondContact O-N 3.15Å; Q1224-Q1227 PolarHBondContact O-N 3.25Å; L1225-Q1227 VanDerWaalsContact C-N 3.34Å; L1225-Q1227 PolarHBondContact O-N 3.24Å; Q1227-K1231 VanDerWaalsContact O-CB 3.26Å; Q1227-K1231 WeakPolarHBondContact O-CB 3.46Å; Q1227-K1231 WeakPolarHBondContact O-CD 3.49Å; Q1227-K1231 WeakPolarHBondContact O-CG 3.42Å; Q1227-K1231 PolarHBondContact O-N 3.46Å
1228H94.3Very high81.4Confident19 Ų1988.5 Ų88.59%0.08843%0.432CS..Hα-helixtrans-74.1-50.4174.8162.574.6000111.3C1212 C1215 F1219 Q1224 L1225 R1226 F1230 K1231 V1232 H1233C1212-H1228 WeakPolarHBondContact CB-NE2 3.2Å; C1212-H1228 PolarHBondContact SG-CD2 3.2Å; C1212-H1228 PolarHBondContact SG-NE2 2.99Å; C1215-H1228 PolarHBondContact SG-CE1 3.24Å; C1215-H1228 PolarHBondContact SG-NE2 3.04Å; F1219-H1228 HydrophobicContact CE1-CB 3.89Å; F1219-H1228 HydrophobicContact CE2-CB 3.82Å; F1219-H1228 AromaticContact CE2-CD2 3.42Å; F1219-H1228 VanDerWaalsContact CE2-CD2 3.42Å; F1219-H1228 WeakPolarHBondContact CE2-CD2 3.36Å; F1219-H1228 AromaticContact CE2-CG 3.59Å; F1219-H1228 HydrophobicContact CZ-CB 3.34Å; F1219-H1228 AromaticContact CZ-CD2 3.55Å; F1219-H1228 AromaticContact CZ-CG 3.2Å; F1219-H1228 AromaticContact CZ-ND1 3.7Å; Q1224-H1228 WeakPolarHBondContact O-CB 3.31Å; Q1224-H1228 PolarHBondContact O-N 2.84Å; L1225-H1228 WeakPolarHBondContact O-CB 3.49Å; L1225-H1228 PolarHBondContact O-N 2.95Å; L1225-H1228 VanDerWaalsContact O-N 3.11Å; R1226-H1228 VanDerWaalsContact C-N 3.27Å; R1226-H1228 PolarHBondContact O-N 3.14Å; H1228-F1230 VanDerWaalsContact C-N 3.3Å; H1228-F1230 PolarHBondContact O-N 3.32Å; H1228-K1231 PolarHBondContact O-N 3.33Å; H1228-V1232 WeakPolarHBondContact ND1-CG2 3.13Å; H1228-V1232 WeakPolarHBondContact O-CB 3.23Å; H1228-V1232 PolarHBondContact O-N 3.15Å; H1228-H1233 AromaticContact CE1-NE2 3.92Å; H1228-H1233 AromaticContact NE2-CD2 3.8Å; H1228-H1233 AromaticContact NE2-NE2 3.43Å; H1228-H1233 PolarHBondContact NE2-NE2 3.49Å
1229K90.4Very high78.8Confident56 Ų5692 Ų9224%0.24345%0.451CS..Iπ-helixtrans-50.6-49.9174.5-75-171.7178.2-176.30111.1D1213 L1225 R1226 K1231 H1233 E1234D1213-K1229 IonicContact OD1-NZ 2.76Å; D1213-K1229 PolarHBondContact OD1-NZ 3.13Å; D1213-K1229 IonicContact OD2-NZ 2.73Å; D1213-K1229 PolarHBondContact OD2-NZ 2.93Å; L1225-K1229 HydrophobicContact CD1-CD 4.39Å; L1225-K1229 HydrophobicContact CD1-CG 4.17Å; L1225-K1229 PolarHBondContact O-N 3.14Å; R1226-K1229 PolarHBondContact O-N 3.18Å; K1229-K1231 PolarHBondContact O-N 2.97Å; K1229-H1233 WeakPolarHBondContact O-CB 3.33Å; K1229-H1233 PolarHBondContact O-N 3.32Å; K1229-E1234 PolarHBondContact O-N 2.98Å
1230F90.2Very high75.9Confident142 Ų14298.5 Ų98.562%0.62349%0.485SS*.Iπ-helixtrans-61.4-40.3176.8-175.7-94.2000114.4R1226 H1228 E1234R1226-F1230 WeakPolarHBondContact O-CB 3.46Å; R1226-F1230 PolarHBondContact O-N 2.97Å; H1228-F1230 VanDerWaalsContact C-N 3.3Å; H1228-F1230 PolarHBondContact O-N 3.32Å; F1230-E1234 WeakPolarHBondContact CA-OE2 3.38Å; F1230-E1234 VanDerWaalsContact CD2-OE2 3.28Å; F1230-E1234 WeakPolarHBondContact CD2-OE2 3.36Å
1231K89.3Confident73.2Confident132 Ų132102.9 Ų102.957%0.57451%0.513SS*.Iπ-helixtrans-85.6-24.9-174.6-75.7174.5-174.1166.10115.2Q1227 H1228 K1229 S1235Q1227-K1231 VanDerWaalsContact O-CB 3.26Å; Q1227-K1231 WeakPolarHBondContact O-CB 3.46Å; Q1227-K1231 WeakPolarHBondContact O-CD 3.49Å; Q1227-K1231 WeakPolarHBondContact O-CG 3.42Å; Q1227-K1231 PolarHBondContact O-N 3.46Å; H1228-K1231 PolarHBondContact O-N 3.33Å; K1229-K1231 PolarHBondContact O-N 2.97Å; K1231-S1235 PolarHBondContact O-OG 3.24Å; K1231-S1235 VanDerWaalsContact O-OG 3.11Å
1232V86.9Confident70.4Confident80 Ų80106.5 Ų106.549%0.48554%0.536SS..Iπ-helixtrans-112.8-34.8-170-179.20000111.6H1228H1228-V1232 WeakPolarHBondContact ND1-CG2 3.13Å; H1228-V1232 WeakPolarHBondContact O-CB 3.23Å; H1228-V1232 PolarHBondContact O-N 3.15Å
1233H87.1Confident67.5Low52 Ų52108.6 Ų108.624%0.24155%0.554CS.*Iπ-helixtrans-108.3-22.6-175-62.7-65.1000114.4C1212 K1214 C1215 H1228 K1229C1212-H1233 VanDerWaalsContact SG-CD2 3.58Å; C1212-H1233 PolarHBondContact SG-NE2 3.16Å; K1214-H1233 WeakPolarHBondContact CB-CE1 3.25Å; K1214-H1233 WeakPolarHBondContact CB-ND1 3.36Å; K1214-H1233 HydrophobicContact CD-CB 3.7Å; K1214-H1233 PolarHBondContact O-CE1 2.9Å; K1214-H1233 VanDerWaalsContact O-CE1 3.29Å; C1215-H1233 PolarHBondContact SG-NE2 3.5Å; H1228-H1233 AromaticContact CE1-NE2 3.92Å; H1228-H1233 AromaticContact NE2-CD2 3.8Å; H1228-H1233 AromaticContact NE2-NE2 3.43Å; H1228-H1233 PolarHBondContact NE2-NE2 3.49Å; K1229-H1233 WeakPolarHBondContact O-CB 3.33Å; K1229-H1233 PolarHBondContact O-N 3.32Å
1234E78.8Confident65.2Low124 Ų124110.5 Ų110.558%0.57957%0.567SS**SBendtrans-100.8-3.5179.9-63.4178.2164.900113.3K1229 F1230 N1236K1229-E1234 PolarHBondContact O-N 2.98Å; F1230-E1234 WeakPolarHBondContact CA-OE2 3.38Å; F1230-E1234 VanDerWaalsContact CD2-OE2 3.28Å; F1230-E1234 WeakPolarHBondContact CD2-OE2 3.36Å; E1234-N1236 PolarHBondContact O-N 3.12Å
1235S60.1Low62.6Low58 Ų58116.4 Ų116.441%0.40659%0.592SS.*THydrogen-bonded Turntrans-80.8-8.1-170.6500000116.2K1231K1231-S1235 PolarHBondContact O-OG 3.24Å; K1231-S1235 VanDerWaalsContact O-OG 3.11Å
1236N41.7Very low59.9Low149 Ų149123 Ų12380%0.79762%0.62SS**THydrogen-bonded Turntrans-100.6-1.3-171.1-94.48.3000116.7E1234 S1238E1234-N1236 PolarHBondContact O-N 3.12Å; N1236-S1238 PolarHBondContact O-N 3.17Å
1237M32.1Very low57.3Low182 Ų182125 Ų12590%0.89763%0.633SS**THydrogen-bonded Turntrans-83.158.3176-80.2-71.9177.800112.9
1238S39.6Very low54.7Low102 Ų102123.2 Ų123.271%0.71364%0.637SS**THydrogen-bonded Turntrans-14520.3177.3550000115.9N1236N1236-S1238 PolarHBondContact O-N 3.17Å
1239K35.2Very low52Low200 Ų200127.4 Ų127.487%0.8766%0.66SS**  trans-132.953.6174-73.5-169.2174.6-173.80113.7
1240I34Very low49.8Very low167 Ų167131.1 Ų131.186%0.85668%0.68SS**  trans-132.6135.5157-61.4-176.5000108.1
1241V32.3Very low47.9Very low120 Ų120132.3 Ų132.373%0.72769%0.685SS**  trans-87151.4-174168.50000110.3
1242L30.6Very low45.9Very low150 Ų150134.3 Ų134.379%0.78570%0.696SS**  trans60.5109.5168.4-73.7161.2000118.7
1243T31.1Very low44.8Very low124 Ų124132.2 Ų132.276%0.76169%0.687SS**  167.1160.8105.844.10000111.4K1245T1243-K1245 VanDerWaalsContact C-N 3.31Å; T1243-K1245 PolarHBondContact O-N 3.15Å
1244S41.4Very low44.7Very low105 Ų105132.2 Ų132.273%0.73469%0.689SS**G310 helixtrans-66.4-15.6-163.950.30000116.6K1246 K1247S1244-K1246 PolarHBondContact O-N 3.36Å; S1244-K1246 VanDerWaalsContact O-N 3.11Å; S1244-K1247 PolarHBondContact O-N 2.81Å
1245K39.3Very low45.1Very low197 Ų197131.4 Ų131.486%0.85768%0.683SS**G310 helixtrans-65.5-13.1-173.7-90.5-178.2174.61760115.6T1243T1243-K1245 VanDerWaalsContact C-N 3.31Å; T1243-K1245 PolarHBondContact O-N 3.15Å
1246K38.2Very low46.3Very low150 Ų150128.8 Ų128.865%0.65267%0.665SS**G310 helixtrans-94.214.6176.1-89.9-171.7-179.1174.70116.9S1244 A1248 L1249S1244-K1246 PolarHBondContact O-N 3.36Å; S1244-K1246 VanDerWaalsContact O-N 3.11Å; K1246-A1248 PolarHBondContact O-N 3.02Å; K1246-A1248 VanDerWaalsContact O-N 3.12Å; K1246-L1249 HydrophobicContact CD-CB 4.29Å; K1246-L1249 HydrophobicContact CD-CD2 4.44Å; K1246-L1249 HydrophobicContact CG-CB 4.06Å; K1246-L1249 PolarHBondContact O-N 3.42Å; K1246-L1249 VanDerWaalsContact O-N 3.13Å
1247K38.3Very low48.4Very low204 Ų204128.6 Ų128.689%0.88766%0.659SS**G310 helixtrans-52.2-27.3157.7-90.9-177.8175.71770112.2S1244S1244-K1247 PolarHBondContact O-N 2.81Å
1248A38.8Very low50.6Low74 Ų74123.8 Ų123.861%0.61264%0.636SS**G310 helixtrans-80.6-11.4179.100000116.2K1246K1246-A1248 PolarHBondContact O-N 3.02Å; K1246-A1248 VanDerWaalsContact O-N 3.12Å
1249L36.4Very low52.7Low107 Ų107121.8 Ų121.856%0.5662%0.622SS**G310 helixtrans-109.69.5-172.9-138.683.4000115.9K1246 K1251K1246-L1249 HydrophobicContact CD-CB 4.29Å; K1246-L1249 HydrophobicContact CD-CD2 4.44Å; K1246-L1249 HydrophobicContact CG-CB 4.06Å; K1246-L1249 PolarHBondContact O-N 3.42Å; K1246-L1249 VanDerWaalsContact O-N 3.13Å; L1249-K1251 PolarHBondContact O-N 3.27Å
1250M44.6Very low54.9Low134 Ų134114.7 Ų114.766%0.6661%0.606SS**  trans-77.150.1160.6-75.5-146.7175.900111.9H1252 A1253 F1255M1250-H1252 PolarHBondContact O-N 3.29Å; M1250-A1253 HydrophobicContact CB-CB 4.21Å; M1250-A1253 PolarHBondContact O-N 2.89Å; M1250-A1253 VanDerWaalsContact O-N 3.09Å; M1250-A1253 HydrophobicContact SD-CB 4.27Å; M1250-F1255 HydrophobicContact SD-CZ 4.41Å
1251K49.3Very low57.4Low167 Ų167109.3 Ų109.373%0.72658%0.583SS**THydrogen-bonded Turntrans-62.3-0.5-170.6-88.4-173173.7-179.80116.4L1249L1249-K1251 PolarHBondContact O-N 3.27Å
1252H48.8Very low59.9Low174 Ų174106 Ų10681%0.80657%0.572SS**THydrogen-bonded Turntrans-1307.5175.3-62.4-41.8000115.4M1250 L1254M1250-H1252 PolarHBondContact O-N 3.29Å; H1252-L1254 PolarHBondContact O-N 2.84Å
1253A63.4Low62.8Low36 Ų36101 Ų10130%0.29854%0.544SS..  trans-82.7109.2166.700000108.8M1250 F1255M1250-A1253 HydrophobicContact CB-CB 4.21Å; M1250-A1253 PolarHBondContact O-N 2.89Å; M1250-A1253 VanDerWaalsContact O-N 3.09Å; M1250-A1253 HydrophobicContact SD-CB 4.27Å; A1253-F1255 HydrophobicContact CB-CD2 4.17Å; A1253-F1255 HydrophobicContact CB-CE1 4.32Å; A1253-F1255 HydrophobicContact CB-CE2 3.4Å; A1253-F1255 VanDerWaalsContact CB-CE2 3.4Å; A1253-F1255 HydrophobicContact CB-CZ 3.5Å; A1253-F1255 VanDerWaalsContact CB-CZ 3.5Å; A1253-F1255 WeakPolarHBondContact O-CD2 3.44Å; A1253-F1255 WeakPolarHBondContact O-CE2 3.2Å; A1253-F1255 PolarHBondContact O-N 3.16Å
1254L84.2Confident65.3Low53 Ų53100.8 Ų100.828%0.27755%0.548SS..EExtended strand (participates in β ladder)trans-89.593.7-177.5-74.8163.7000108.9H1252 F1263 R1266 L1269H1252-L1254 PolarHBondContact O-N 2.84Å; L1254-F1263 PolarHBondContact N-O 3.2Å; L1254-F1263 VanDerWaalsContact N-O 3.09Å; L1254-F1263 WeakPolarHBondContact O-CB 3.32Å; L1254-F1263 WeakPolarHBondContact O-CD2 3.46Å; L1254-F1263 PolarHBondContact O-N 3.38Å; L1254-R1266 HydrophobicContact CD1-CB 3.87Å; L1254-L1269 HydrophobicContact CB-CB 4.23Å; L1254-L1269 HydrophobicContact CB-CD2 3.84Å; L1254-L1269 HydrophobicContact CD2-CD2 4.35Å
1255F88.5Confident67.4Low107 Ų10797.7 Ų97.747%0.46953%0.526SS..EExtended strand (participates in β ladder)trans-79.9149.8-177.8-61.2-80.3000112.9M1250 A1253 G1260 S1261 L1269M1250-F1255 HydrophobicContact SD-CZ 4.41Å; A1253-F1255 HydrophobicContact CB-CD2 4.17Å; A1253-F1255 HydrophobicContact CB-CE1 4.32Å; A1253-F1255 HydrophobicContact CB-CE2 3.4Å; A1253-F1255 VanDerWaalsContact CB-CE2 3.4Å; A1253-F1255 HydrophobicContact CB-CZ 3.5Å; A1253-F1255 VanDerWaalsContact CB-CZ 3.5Å; A1253-F1255 WeakPolarHBondContact O-CD2 3.44Å; A1253-F1255 WeakPolarHBondContact O-CE2 3.2Å; A1253-F1255 PolarHBondContact O-N 3.16Å; F1255-G1260 WeakPolarHBondContact CD1-O 3.48Å; F1255-S1261 CarbonylContact C-O 3.41Å; F1255-S1261 WeakPolarHBondContact CA-O 3.46Å; F1255-L1269 WeakPolarHBondContact O-CD1 3.3Å; F1255-L1269 WeakPolarHBondContact O-CD2 3.33Å
1256C85.1Confident69.8Low3 Ų396 Ų962%0.0251%0.514CS..  trans-80.2124.5168.9-170.40000111.1L1258 C1259 G1260 S1261 F1263 L1269 H1272C1256-L1258 PolarHBondContact O-N 3.03Å; C1256-L1258 PolarHBondContact SG-N 2.9Å; C1256-C1259 PolarHBondContact O-N 3.33Å; C1256-G1260 VanDerWaalsContact O-CA 3.3Å; C1256-G1260 WeakPolarHBondContact O-CA 3.09Å; C1256-G1260 PolarHBondContact O-N 3.15Å; C1256-S1261 PolarHBondContact N-O 3.39Å; C1256-F1263 HydrophobicContact CB-CE2 4.1Å; C1256-L1269 HydrophobicContact CB-CD1 3.93Å; C1256-H1272 VanDerWaalsContact CB-CD2 3.42Å; C1256-H1272 WeakPolarHBondContact CB-CD2 3.36Å; C1256-H1272 WeakPolarHBondContact CB-NE2 3.39Å; C1256-H1272 PolarHBondContact SG-CD2 3.04Å; C1256-H1272 PolarHBondContact SG-NE2 2.88Å
1257H85.1Confident71.9Confident145 Ų14593.4 Ų93.467%0.67152%0.515SS*.THydrogen-bonded Turntrans-65.5-15.3173.456.4-82.9000113.4
1258L77.8Confident74.3Confident80 Ų8085.9 Ų85.942%0.41949%0.488SS..THydrogen-bonded Turntrans-101.8-7.1-176.4-57.8168.7000114.2C1256 V1273 H1276 T1277C1256-L1258 PolarHBondContact O-N 3.03Å; C1256-L1258 PolarHBondContact SG-N 2.9Å; L1258-V1273 HydrophobicContact CD1-CG1 4.35Å; L1258-H1276 HydrophobicContact CB-CB 3.87Å; L1258-H1276 HydrophobicContact CD1-CB 3.38Å; L1258-H1276 HydrophobicContact CG-CB 4.22Å; L1258-T1277 HydrophobicContact CD1-CG2 3.99Å
1259C85.1Confident76.7Confident61 Ų6183.6 Ų83.641%0.41247%0.466SS..THydrogen-bonded Turntrans-1577.1172.170.50000116.3C1256 S1261 H1272 H1276C1256-C1259 PolarHBondContact O-N 3.33Å; C1259-S1261 PolarHBondContact O-N 3.3Å; C1259-S1261 VanDerWaalsContact O-N 3.07Å; C1259-S1261 VanDerWaalsContact SG-CB 3.53Å; C1259-S1261 PolarHBondContact SG-OG 3.14Å; C1259-H1272 PolarHBondContact SG-CE1 2.88Å; C1259-H1272 PolarHBondContact SG-NE2 3.04Å; C1259-H1276 PolarHBondContact SG-NE2 3.41Å
1260G81.5Confident79Confident51 Ų5185.7 Ų85.753%0.52647%0.466SS..  trans69.5-0.6-178.100000116F1255 C1256 G1262F1255-G1260 WeakPolarHBondContact CD1-O 3.48Å; C1256-G1260 VanDerWaalsContact O-CA 3.3Å; C1256-G1260 WeakPolarHBondContact O-CA 3.09Å; C1256-G1260 PolarHBondContact O-N 3.15Å; G1260-G1262 PolarHBondContact O-N 3.05Å
1261S85.3Confident80.6Confident54 Ų5482 Ų8238%0.37845%0.449SS..  trans-62.5131.3179.6-72.80000111.9F1255 C1256 C1259 F1263F1255-S1261 CarbonylContact C-O 3.41Å; F1255-S1261 WeakPolarHBondContact CA-O 3.46Å; C1256-S1261 PolarHBondContact N-O 3.39Å; C1259-S1261 PolarHBondContact O-N 3.3Å; C1259-S1261 VanDerWaalsContact O-N 3.07Å; C1259-S1261 VanDerWaalsContact SG-CB 3.53Å; C1259-S1261 PolarHBondContact SG-OG 3.14Å; S1261-F1263 VanDerWaalsContact O-CD2 3.23Å; S1261-F1263 WeakPolarHBondContact O-CD2 3.26Å; S1261-F1263 WeakPolarHBondContact O-CE2 3.38Å
1262G85Confident82.4Confident49 Ų4975.4 Ų75.451%0.50542%0.42SS..EExtended strand (participates in β ladder)trans-87.7135.6179.700000113.9G1260G1260-G1262 PolarHBondContact O-N 3.05Å
1263F91.2Very high84.1Confident46 Ų4668.3 Ų68.320%0.20239%0.389CS..EExtended strand (participates in β ladder)trans-124.4142.9180-62.3-84.9000113L1254 C1256 S1261 S1265 L1269 H1272L1254-F1263 PolarHBondContact N-O 3.2Å; L1254-F1263 VanDerWaalsContact N-O 3.09Å; L1254-F1263 WeakPolarHBondContact O-CB 3.32Å; L1254-F1263 WeakPolarHBondContact O-CD2 3.46Å; L1254-F1263 PolarHBondContact O-N 3.38Å; C1256-F1263 HydrophobicContact CB-CE2 4.1Å; S1261-F1263 VanDerWaalsContact O-CD2 3.23Å; S1261-F1263 WeakPolarHBondContact O-CD2 3.26Å; S1261-F1263 WeakPolarHBondContact O-CE2 3.38Å; F1263-S1265 VanDerWaalsContact C-N 3.31Å; F1263-S1265 PolarHBondContact O-N 3.23Å; F1263-L1269 HydrophobicContact CB-CB 4.04Å; F1263-L1269 HydrophobicContact CD2-CB 4.17Å; F1263-L1269 HydrophobicContact CD2-CD1 3.81Å; F1263-L1269 HydrophobicContact CE2-CD1 4.29Å; F1263-L1269 HydrophobicContact CG-CB 4.22Å; F1263-H1272 HydrophobicContact CD1-CB 4.48Å; F1263-H1272 HydrophobicContact CE1-CB 3.72Å; F1263-H1272 AromaticContact CE1-CG 3.86Å; F1263-H1272 HydrophobicContact CE2-CB 3.99Å; F1263-H1272 AromaticContact CE2-CD2 3.14Å; F1263-H1272 WeakPolarHBondContact CE2-CD2 3.3Å; F1263-H1272 AromaticContact CE2-CG 3.55Å; F1263-H1272 AromaticContact CE2-NE2 3.6Å; F1263-H1272 HydrophobicContact CZ-CB 3.47Å; F1263-H1272 VanDerWaalsContact CZ-CB 3.47Å; F1263-H1272 AromaticContact CZ-CD2 3.24Å; F1263-H1272 WeakPolarHBondContact CZ-CD2 3.36Å; F1263-H1272 AromaticContact CZ-CE1 3.81Å; F1263-H1272 AromaticContact CZ-CG 3.1Å; F1263-H1272 AromaticContact CZ-ND1 3.51Å; F1263-H1272 AromaticContact CZ-NE2 3.65Å
1264S85.2Confident84.9Confident119 Ų11971 Ų7183%0.83239%0.392SS*.SBendtrans-81.60.417960.30000115
1265S85.1Confident84.5Confident40 Ų4073.5 Ų73.528%0.2841%0.405SS..SBendtrans-157.9151.6175.883.20000112.5F1263 S1267 S1268 L1269F1263-S1265 VanDerWaalsContact C-N 3.31Å; F1263-S1265 PolarHBondContact O-N 3.23Å; S1265-S1267 PolarHBondContact O-N 2.76Å; S1265-S1268 PolarHBondContact O-N 2.77Å; S1265-S1268 VanDerWaalsContact O-N 3.11Å; S1265-S1268 WeakPolarHBondContact OG-CB 3.22Å; S1265-S1268 PolarHBondContact OG-N 3.42Å; S1265-S1268 PolarHBondContact OG-OG 2.74Å; S1265-L1269 PolarHBondContact O-N 2.99Å
1266R88.2Confident83.9Confident162 Ų16272.3 Ų72.361%0.61140%0.4SS*.Hα-helixtrans-63.5-27.6177.5-161.5172.5-179.1113.8-6.2112.1L1254 R1270L1254-R1266 HydrophobicContact CD1-CB 3.87Å; R1266-R1270 VanDerWaalsContact O-CB 3.28Å; R1266-R1270 WeakPolarHBondContact O-CB 3.21Å; R1266-R1270 VanDerWaalsContact O-CG 3.29Å; R1266-R1270 WeakPolarHBondContact O-CG 3.09Å; R1266-R1270 PolarHBondContact O-N 3.06Å
1267S83.5Confident83.3Confident95 Ų9575.5 Ų75.566%0.66442%0.42SS*.Hα-helixtrans-69.7-42.6172.9-55.10000112.2S1265 L1271S1265-S1267 PolarHBondContact O-N 2.76Å; S1267-L1271 VanDerWaalsContact O-CB 3.3Å; S1267-L1271 WeakPolarHBondContact O-CB 3.32Å; S1267-L1271 PolarHBondContact O-N 3.44Å
1268S87.3Confident82Confident47 Ų4771.2 Ų71.233%0.32942%0.415SS..Hα-helixtrans-66.5-45.2175.5-56.60000111.2S1265 L1271 H1272S1265-S1268 PolarHBondContact O-N 2.77Å; S1265-S1268 VanDerWaalsContact O-N 3.11Å; S1265-S1268 WeakPolarHBondContact OG-CB 3.22Å; S1265-S1268 PolarHBondContact OG-N 3.42Å; S1265-S1268 PolarHBondContact OG-OG 2.74Å; S1268-L1271 PolarHBondContact O-N 3.3Å; S1268-H1272 WeakPolarHBondContact O-CB 3.5Å; S1268-H1272 PolarHBondContact O-N 3.48Å
1269L90.3Very high80.9Confident25 Ų2571 Ų7113%0.13142%0.417CS..Hα-helixtrans-58.8-52.9174.6172.659000111.1L1254 F1255 C1256 F1263 S1265 L1271 H1272 V1273L1254-L1269 HydrophobicContact CB-CB 4.23Å; L1254-L1269 HydrophobicContact CB-CD2 3.84Å; L1254-L1269 HydrophobicContact CD2-CD2 4.35Å; F1255-L1269 WeakPolarHBondContact O-CD1 3.3Å; F1255-L1269 WeakPolarHBondContact O-CD2 3.33Å; C1256-L1269 HydrophobicContact CB-CD1 3.93Å; F1263-L1269 HydrophobicContact CB-CB 4.04Å; F1263-L1269 HydrophobicContact CD2-CB 4.17Å; F1263-L1269 HydrophobicContact CD2-CD1 3.81Å; F1263-L1269 HydrophobicContact CE2-CD1 4.29Å; F1263-L1269 HydrophobicContact CG-CB 4.22Å; S1265-L1269 PolarHBondContact O-N 2.99Å; L1269-L1271 VanDerWaalsContact C-N 3.29Å; L1269-L1271 PolarHBondContact O-N 3.42Å; L1269-H1272 PolarHBondContact O-N 3.4Å; L1269-H1272 VanDerWaalsContact O-N 3.09Å; L1269-V1273 HydrophobicContact CD1-CG2 3.77Å; L1269-V1273 HydrophobicContact CG-CG2 4.27Å; L1269-V1273 WeakPolarHBondContact O-CG2 3.22Å; L1269-V1273 PolarHBondContact O-N 2.95Å
1270R84.6Confident79.5Confident151 Ų15179.7 Ų79.757%0.5744%0.441SS*.Hα-helixtrans-56.9-42177.9-81.7177.7169.6176.3-3.8112.2R1266 H1272 V1273 R1274R1266-R1270 VanDerWaalsContact O-CB 3.28Å; R1266-R1270 WeakPolarHBondContact O-CB 3.21Å; R1266-R1270 VanDerWaalsContact O-CG 3.29Å; R1266-R1270 WeakPolarHBondContact O-CG 3.09Å; R1266-R1270 PolarHBondContact O-N 3.06Å; R1270-H1272 VanDerWaalsContact C-N 3.32Å; R1270-H1272 PolarHBondContact O-N 3.31Å; R1270-V1273 PolarHBondContact O-N 2.96Å; R1270-R1274 WeakPolarHBondContact O-CG 3.44Å; R1270-R1274 PolarHBondContact O-N 2.71Å; R1270-R1274 VanDerWaalsContact O-N 3.16Å
1271L78.5Confident78.5Confident56 Ų5678.3 Ų78.329%0.29343%0.427SS..Hα-helixtrans-64.5-37.7177.8176.459.9000112.1S1267 S1268 L1269 H1292S1267-L1271 VanDerWaalsContact O-CB 3.3Å; S1267-L1271 WeakPolarHBondContact O-CB 3.32Å; S1267-L1271 PolarHBondContact O-N 3.44Å; S1268-L1271 PolarHBondContact O-N 3.3Å; L1269-L1271 VanDerWaalsContact C-N 3.29Å; L1269-L1271 PolarHBondContact O-N 3.42Å; L1271-H1292 WeakPolarHBondContact CD1-O 3.45Å; L1271-H1292 HydrophobicContact CD2-CB 4.46Å; L1271-H1292 WeakPolarHBondContact CD2-O 3.4Å
1272H87.5Confident78Confident29 Ų2979.6 Ų79.613%0.13442%0.424CS..Hα-helixtrans-75.2-38.5177.5163.382.1000112.7C1256 C1259 F1263 S1268 L1269 R1270 R1274 L1275 H1276C1256-H1272 VanDerWaalsContact CB-CD2 3.42Å; C1256-H1272 WeakPolarHBondContact CB-CD2 3.36Å; C1256-H1272 WeakPolarHBondContact CB-NE2 3.39Å; C1256-H1272 PolarHBondContact SG-CD2 3.04Å; C1256-H1272 PolarHBondContact SG-NE2 2.88Å; C1259-H1272 PolarHBondContact SG-CE1 2.88Å; C1259-H1272 PolarHBondContact SG-NE2 3.04Å; F1263-H1272 HydrophobicContact CD1-CB 4.48Å; F1263-H1272 HydrophobicContact CE1-CB 3.72Å; F1263-H1272 AromaticContact CE1-CG 3.86Å; F1263-H1272 HydrophobicContact CE2-CB 3.99Å; F1263-H1272 AromaticContact CE2-CD2 3.14Å; F1263-H1272 WeakPolarHBondContact CE2-CD2 3.3Å; F1263-H1272 AromaticContact CE2-CG 3.55Å; F1263-H1272 AromaticContact CE2-NE2 3.6Å; F1263-H1272 HydrophobicContact CZ-CB 3.47Å; F1263-H1272 VanDerWaalsContact CZ-CB 3.47Å; F1263-H1272 AromaticContact CZ-CD2 3.24Å; F1263-H1272 WeakPolarHBondContact CZ-CD2 3.36Å; F1263-H1272 AromaticContact CZ-CE1 3.81Å; F1263-H1272 AromaticContact CZ-CG 3.1Å; F1263-H1272 AromaticContact CZ-ND1 3.51Å; F1263-H1272 AromaticContact CZ-NE2 3.65Å; S1268-H1272 WeakPolarHBondContact O-CB 3.5Å; S1268-H1272 PolarHBondContact O-N 3.48Å; L1269-H1272 PolarHBondContact O-N 3.4Å; L1269-H1272 VanDerWaalsContact O-N 3.09Å; R1270-H1272 VanDerWaalsContact C-N 3.32Å; R1270-H1272 PolarHBondContact O-N 3.31Å; H1272-R1274 PolarHBondContact O-N 3.34Å; H1272-L1275 WeakPolarHBondContact O-CA 3.3Å; H1272-L1275 VanDerWaalsContact O-CB 3.26Å; H1272-L1275 WeakPolarHBondContact O-CB 3.27Å; H1272-L1275 PolarHBondContact O-N 2.79Å; H1272-H1276 AromaticContact CE1-CD2 3.7Å; H1272-H1276 AromaticContact CE1-NE2 3.3Å; H1272-H1276 PolarHBondContact CE1-NE2 2.78Å; H1272-H1276 VanDerWaalsContact CE1-NE2 3.3Å; H1272-H1276 AromaticContact NE2-CD2 3.59Å; H1272-H1276 AromaticContact NE2-NE2 3.37Å; H1272-H1276 PolarHBondContact NE2-NE2 3.14Å; H1272-H1276 PolarHBondContact O-N 2.76Å
1273V82.9Confident77.4Confident25 Ų2578.7 Ų78.715%0.15242%0.415CS..Hα-helixtrans-57.3-39.4172169.80000110.8L1258 L1269 R1270 L1275 H1276 T1277L1258-V1273 HydrophobicContact CD1-CG1 4.35Å; L1269-V1273 HydrophobicContact CD1-CG2 3.77Å; L1269-V1273 HydrophobicContact CG-CG2 4.27Å; L1269-V1273 WeakPolarHBondContact O-CG2 3.22Å; L1269-V1273 PolarHBondContact O-N 2.95Å; R1270-V1273 PolarHBondContact O-N 2.96Å; V1273-L1275 PolarHBondContact O-N 3.36Å; V1273-L1275 VanDerWaalsContact O-N 3.15Å; V1273-H1276 WeakPolarHBondContact O-CB 3.3Å; V1273-H1276 PolarHBondContact O-N 3.03Å; V1273-T1277 HydrophobicContact CG1-CG2 4.02Å; V1273-T1277 PolarHBondContact O-N 3.28Å; V1273-T1277 PolarHBondContact O-OG1 3.23Å
1274R81.1Confident76.8Confident94 Ų9476.5 Ų76.536%0.35541%0.406SS..Hα-helixtrans-60.6-21.2173-68.6178.2-163.8169.22.5114.6R1270 H1272 T1277 T1279 Y1282R1270-R1274 WeakPolarHBondContact O-CG 3.44Å; R1270-R1274 PolarHBondContact O-N 2.71Å; R1270-R1274 VanDerWaalsContact O-N 3.16Å; H1272-R1274 PolarHBondContact O-N 3.34Å; R1274-T1277 WeakPolarHBondContact CA-OG1 3.48Å; R1274-T1279 WeakPolarHBondContact CG-OG1 3.48Å; R1274-Y1282 PolarHBondContact NH1-OH 3.28Å
1275L75.5Confident76.3Confident105 Ų10574.7 Ų74.755%0.5539%0.391SS..Hα-helixtrans-78.9-26.9174.3-58175.5000111.9H1272 V1273H1272-L1275 WeakPolarHBondContact O-CA 3.3Å; H1272-L1275 VanDerWaalsContact O-CB 3.26Å; H1272-L1275 WeakPolarHBondContact O-CB 3.27Å; H1272-L1275 PolarHBondContact O-N 2.79Å; V1273-L1275 PolarHBondContact O-N 3.36Å; V1273-L1275 VanDerWaalsContact O-N 3.15Å
1276H76.2Confident76.1Confident81 Ų8177.5 Ų77.538%0.37540%0.396SS..Hα-helixtrans-79.8-48.1171.8-76.7-80.5000112L1258 C1259 H1272 V1273 G1278L1258-H1276 HydrophobicContact CB-CB 3.87Å; L1258-H1276 HydrophobicContact CD1-CB 3.38Å; L1258-H1276 HydrophobicContact CG-CB 4.22Å; C1259-H1276 PolarHBondContact SG-NE2 3.41Å; H1272-H1276 AromaticContact CE1-CD2 3.7Å; H1272-H1276 AromaticContact CE1-NE2 3.3Å; H1272-H1276 PolarHBondContact CE1-NE2 2.78Å; H1272-H1276 VanDerWaalsContact CE1-NE2 3.3Å; H1272-H1276 AromaticContact NE2-CD2 3.59Å; H1272-H1276 AromaticContact NE2-NE2 3.37Å; H1272-H1276 PolarHBondContact NE2-NE2 3.14Å; H1272-H1276 PolarHBondContact O-N 2.76Å; V1273-H1276 WeakPolarHBondContact O-CB 3.3Å; V1273-H1276 PolarHBondContact O-N 3.03Å; H1276-G1278 PolarHBondContact O-N 2.86Å
1277T72.5Confident75.8Confident71 Ų7172 Ų7244%0.43638%0.382SS..SBendtrans-745.2-17561.10000114.3L1258 V1273 R1274 T1279L1258-T1277 HydrophobicContact CD1-CG2 3.99Å; V1273-T1277 HydrophobicContact CG1-CG2 4.02Å; V1273-T1277 PolarHBondContact O-N 3.28Å; V1273-T1277 PolarHBondContact O-OG1 3.23Å; R1274-T1277 WeakPolarHBondContact CA-OG1 3.48Å; T1277-T1279 PolarHBondContact O-N 3.12Å; T1277-T1279 PolarHBondContact OG1-OG1 3.46Å
1278G58.3Low75.3Confident55 Ų5573.7 Ų73.757%0.56738%0.384SS*.  trans64.3-8.6-177.600000115.8H1276 R1280H1276-G1278 PolarHBondContact O-N 2.86Å; G1278-R1280 PolarHBondContact O-N 2.91Å
1279T54.9Low74.7Confident76 Ų7672.5 Ų72.547%0.46638%0.375SS..  trans-58.4103.8-177.155.40000110.1R1274 T1277 G1281R1274-T1279 WeakPolarHBondContact CG-OG1 3.48Å; T1277-T1279 PolarHBondContact O-N 3.12Å; T1277-T1279 PolarHBondContact OG1-OG1 3.46Å; T1279-G1281 PolarHBondContact O-N 2.96Å
1280R54.7Low74Confident242 Ų24275.6 Ų75.691%0.91340%0.395SS*.  trans-54.9129-159.6-69.4173.9173.8161.9-3.1111.3G1278G1278-R1280 PolarHBondContact O-N 2.91Å
1281G61.7Low73.8Confident22 Ų2270.4 Ų70.423%0.22738%0.376CS..  trans-57.6163.8174.900000111.8T1279 G1283T1279-G1281 PolarHBondContact O-N 2.96Å; G1281-G1283 PolarHBondContact O-N 3.05Å
1282Y74.6Confident73.5Confident81 Ų8173.3 Ų73.332%0.31839%0.388SS..EExtended strand (participates in β ladder)trans-52.696.8-173.6-62.7-82.2000112.4R1274 F1291 P1294R1274-Y1282 PolarHBondContact NH1-OH 3.28Å; Y1282-F1291 WeakPolarHBondContact CB-O 3.17Å; Y1282-F1291 PolarHBondContact N-O 2.82Å; Y1282-F1291 VanDerWaalsContact N-O 3.12Å; Y1282-F1291 WeakPolarHBondContact O-CB 3.32Å; Y1282-F1291 WeakPolarHBondContact O-CD2 3.36Å; Y1282-F1291 PolarHBondContact O-N 3.37Å; Y1282-P1294 HydrophobicContact CD1-CB 4Å; Y1282-P1294 HydrophobicContact CD2-CB 4.1Å; Y1282-P1294 HydrophobicContact CD2-CG 4.4Å; Y1282-P1294 HydrophobicContact CE1-CB 3.85Å; Y1282-P1294 HydrophobicContact CE1-CG 4.39Å; Y1282-P1294 HydrophobicContact CE2-CB 3.98Å; Y1282-P1294 VanDerWaalsContact CE2-CD 3.5Å; Y1282-P1294 HydrophobicContact CE2-CG 3.9Å; Y1282-P1294 HydrophobicContact CG-CB 4.12Å
1283G71.4Confident72.9Confident30 Ų3075.1 Ų75.131%0.30940%0.399SS..EExtended strand (participates in β ladder)trans-86.9137.4-17500000114G1281 S1289 R1297G1281-G1283 PolarHBondContact O-N 3.05Å; G1283-S1289 CarbonylContact C-O 3.56Å; G1283-S1289 WeakPolarHBondContact CA-O 3.48Å; G1283-R1297 VanDerWaalsContact O-CZ 3.28Å; G1283-R1297 PolarHBondContact O-NE 2.89Å; G1283-R1297 PolarHBondContact O-NH2 3.38Å
1284C78.2Confident72.7Confident1 Ų176.9 Ų76.91%0.00741%0.411CS..  trans-78.6125.1169.6-179.70000110.4Y1286 N1288 S1289 F1291 H1300 L1301C1284-Y1286 VanDerWaalsContact C-N 3.33Å; C1284-Y1286 PolarHBondContact O-N 2.85Å; C1284-N1288 WeakPolarHBondContact O-CA 3.3Å; C1284-N1288 PolarHBondContact O-N 3.01Å; C1284-S1289 PolarHBondContact N-O 3.33Å; C1284-F1291 HydrophobicContact CB-CE2 4.08Å; C1284-H1300 WeakPolarHBondContact CB-NE2 3.23Å; C1284-H1300 PolarHBondContact SG-CD2 2.9Å; C1284-H1300 PolarHBondContact SG-NE2 2.78Å; C1284-L1301 HydrophobicContact CB-CD2 4.31Å
1285P75.6Confident72.5Confident80 Ų8076 Ų7652%0.51942%0.419SS..THydrogen-bonded Turntrans-68.3-3317929.1-32.5000112.1C1287 L1301P1285-C1287 VanDerWaalsContact C-N 3.33Å; P1285-C1287 PolarHBondContact O-N 2.33Å; P1285-L1301 HydrophobicContact CG-CD2 4.46Å
1286Y80.4Confident73Confident100 Ų10075.4 Ų75.439%0.39241%0.413SS..THydrogen-bonded Turntrans-72.6-17.8-175.3-53.7-67.1000115.1C1284 L1301 C1304 K1305 H1308C1284-Y1286 VanDerWaalsContact C-N 3.33Å; C1284-Y1286 PolarHBondContact O-N 2.85Å; Y1286-L1301 HydrophobicContact CD2-CD2 4.08Å; Y1286-L1301 HydrophobicContact CE2-CD2 4.13Å; Y1286-C1304 HydrophobicContact CD2-CB 4.4Å; Y1286-K1305 HydrophobicContact CE2-CB 4.12Å; Y1286-K1305 HydrophobicContact CE2-CG 4.43Å; Y1286-H1308 PolarHBondContact O-CE1 3.16Å; Y1286-H1308 VanDerWaalsContact O-CE1 3.3Å; Y1286-H1308 PolarHBondContact O-NE2 2.61Å
1287C81.8Confident73.5Confident47 Ų4775.5 Ų75.532%0.31841%0.41SS..THydrogen-bonded Turntrans-150.816.6178.568.30000114.4P1285 S1289 H1300P1285-C1287 VanDerWaalsContact C-N 3.33Å; P1285-C1287 PolarHBondContact O-N 2.33Å; C1287-S1289 PolarHBondContact O-N 3.01Å; C1287-S1289 PolarHBondContact SG-OG 2.93Å; C1287-H1300 PolarHBondContact SG-CE1 2.81Å; C1287-H1300 PolarHBondContact SG-NE2 3.43Å
1288N73.5Confident74.1Confident130 Ų13078.5 Ų78.570%0.69542%0.417SS*.  trans50.618.2-179-67.7-26.1000116.6C1284 V1290C1284-N1288 WeakPolarHBondContact O-CA 3.3Å; C1284-N1288 PolarHBondContact O-N 3.01Å; N1288-V1290 PolarHBondContact O-N 3.01Å
1289S74.8Confident75.3Confident22 Ų2282.7 Ų82.715%0.15442%0.416CS..  trans-74.7127178.861.40000112G1283 C1284 C1287 F1291 H1300G1283-S1289 CarbonylContact C-O 3.56Å; G1283-S1289 WeakPolarHBondContact CA-O 3.48Å; C1284-S1289 PolarHBondContact N-O 3.33Å; C1287-S1289 PolarHBondContact O-N 3.01Å; C1287-S1289 PolarHBondContact SG-OG 2.93Å; S1289-F1291 WeakPolarHBondContact O-CD2 3.17Å; S1289-F1291 WeakPolarHBondContact O-CE2 3.34Å; S1289-F1291 WeakPolarHBondContact OG-CE2 3.31Å; S1289-F1291 VanDerWaalsContact OG-CZ 3.3Å; S1289-F1291 WeakPolarHBondContact OG-CZ 3.41Å; S1289-H1300 PolarHBondContact OG-CE1 3.15Å; S1289-H1300 PolarHBondContact OG-NE2 2.98Å
1290V76.3Confident77Confident90 Ų9081.1 Ų81.155%0.54540%0.403SS..EExtended strand (participates in β ladder)trans-91.5131-176-179.50000111N1288N1288-V1290 PolarHBondContact O-N 3.01Å
1291F78.7Confident78.5Confident41 Ų4171.4 Ų71.418%0.1837%0.369CS..EExtended strand (participates in β ladder)trans-117.4129179.4-61.3-85.5000112.8Y1282 C1284 S1289 N1293 H1296 R1297 H1300Y1282-F1291 WeakPolarHBondContact CB-O 3.17Å; Y1282-F1291 PolarHBondContact N-O 2.82Å; Y1282-F1291 VanDerWaalsContact N-O 3.12Å; Y1282-F1291 WeakPolarHBondContact O-CB 3.32Å; Y1282-F1291 WeakPolarHBondContact O-CD2 3.36Å; Y1282-F1291 PolarHBondContact O-N 3.37Å; C1284-F1291 HydrophobicContact CB-CE2 4.08Å; S1289-F1291 WeakPolarHBondContact O-CD2 3.17Å; S1289-F1291 WeakPolarHBondContact O-CE2 3.34Å; S1289-F1291 WeakPolarHBondContact OG-CE2 3.31Å; S1289-F1291 VanDerWaalsContact OG-CZ 3.3Å; S1289-F1291 WeakPolarHBondContact OG-CZ 3.41Å; F1291-N1293 PolarHBondContact O-N 3.05Å; F1291-H1296 HydrophobicContact CD1-CB 3.96Å; F1291-R1297 HydrophobicContact CB-CB 3.99Å; F1291-R1297 HydrophobicContact CD2-CB 3.77Å; F1291-R1297 HydrophobicContact CD2-CG 4.13Å; F1291-R1297 HydrophobicContact CG-CB 4Å; F1291-H1300 HydrophobicContact CE1-CB 3.79Å; F1291-H1300 HydrophobicContact CE2-CB 3.87Å; F1291-H1300 AromaticContact CE2-CD2 3.44Å; F1291-H1300 VanDerWaalsContact CE2-CD2 3.44Å; F1291-H1300 WeakPolarHBondContact CE2-CD2 3.5Å; F1291-H1300 AromaticContact CE2-CG 3.63Å; F1291-H1300 HydrophobicContact CZ-CB 3.35Å; F1291-H1300 AromaticContact CZ-CD2 3.47Å; F1291-H1300 VanDerWaalsContact CZ-CD2 3.47Å; F1291-H1300 WeakPolarHBondContact CZ-CD2 3.43Å; F1291-H1300 AromaticContact CZ-CG 3.16Å; F1291-H1300 AromaticContact CZ-ND1 3.65Å
1292H72.9Confident79.6Confident118 Ų11875.6 Ų75.655%0.54639%0.386SS..SBendtrans-67-14.6170.5-57.5-67.4000113.9L1271L1271-H1292 WeakPolarHBondContact CD1-O 3.45Å; L1271-H1292 HydrophobicContact CD2-CB 4.46Å; L1271-H1292 WeakPolarHBondContact CD2-O 3.4Å
1293N74.2Confident80Confident67 Ų6778.4 Ų78.436%0.35840%0.4SS..SBendtrans-133.3127.4-176.1-177.4-43.8000110.2F1291 S1295 H1296 R1297F1291-N1293 PolarHBondContact O-N 3.05Å; N1293-S1295 VanDerWaalsContact C-N 3.26Å; N1293-S1295 PolarHBondContact O-N 3.32Å; N1293-S1295 WeakPolarHBondContact OD1-CA 3.47Å; N1293-S1295 VanDerWaalsContact OD1-CB 3.22Å; N1293-S1295 WeakPolarHBondContact OD1-CB 3.2Å; N1293-S1295 PolarHBondContact OD1-N 2.98Å; N1293-S1295 PolarHBondContact OD1-OG 3.12Å; N1293-H1296 HydrophobicContact CB-CB 4.18Å; N1293-H1296 WeakPolarHBondContact O-CA 3.43Å; N1293-H1296 WeakPolarHBondContact O-CB 3.38Å; N1293-H1296 PolarHBondContact O-N 2.94Å; N1293-R1297 PolarHBondContact O-N 3.42Å
1294P79.7Confident80.5Confident62 Ų6277.4 Ų77.440%0.40339%0.388SS..Hα-helixtrans-65-28.1-177.824.5-30.3000112.7Y1282 H1296 R1297 K1298Y1282-P1294 HydrophobicContact CD1-CB 4Å; Y1282-P1294 HydrophobicContact CD2-CB 4.1Å; Y1282-P1294 HydrophobicContact CD2-CG 4.4Å; Y1282-P1294 HydrophobicContact CE1-CB 3.85Å; Y1282-P1294 HydrophobicContact CE1-CG 4.39Å; Y1282-P1294 HydrophobicContact CE2-CB 3.98Å; Y1282-P1294 VanDerWaalsContact CE2-CD 3.5Å; Y1282-P1294 HydrophobicContact CE2-CG 3.9Å; Y1282-P1294 HydrophobicContact CG-CB 4.12Å; P1294-H1296 VanDerWaalsContact C-N 3.32Å; P1294-R1297 PolarHBondContact O-N 2.98Å; P1294-K1298 WeakPolarHBondContact O-CB 3.14Å; P1294-K1298 PolarHBondContact O-N 2.94Å
1295S77.1Confident80.6Confident74 Ų7482.1 Ų82.152%0.51741%0.408SS..Hα-helixtrans-68.9-29.4171.1-48.20000112.6N1293 R1299N1293-S1295 VanDerWaalsContact C-N 3.26Å; N1293-S1295 PolarHBondContact O-N 3.32Å; N1293-S1295 WeakPolarHBondContact OD1-CA 3.47Å; N1293-S1295 VanDerWaalsContact OD1-CB 3.22Å; N1293-S1295 WeakPolarHBondContact OD1-CB 3.2Å; N1293-S1295 PolarHBondContact OD1-N 2.98Å; N1293-S1295 PolarHBondContact OD1-OG 3.12Å; S1295-R1299 WeakPolarHBondContact O-CB 3.23Å; S1295-R1299 PolarHBondContact O-N 3.29Å
1296H84.8Confident80.7Confident94 Ų9481.5 Ų81.544%0.43541%0.41SS..Hα-helixtrans-75.7-40.6172.1-75.8-176.2000111.6F1291 N1293 P1294 R1299 H1300F1291-H1296 HydrophobicContact CD1-CB 3.96Å; N1293-H1296 HydrophobicContact CB-CB 4.18Å; N1293-H1296 WeakPolarHBondContact O-CA 3.43Å; N1293-H1296 WeakPolarHBondContact O-CB 3.38Å; N1293-H1296 PolarHBondContact O-N 2.94Å; P1294-H1296 VanDerWaalsContact C-N 3.32Å; H1296-R1299 PolarHBondContact CD2-NH1 3.01Å; H1296-R1299 PolarHBondContact NE2-NH1 2.82Å; H1296-R1299 VanDerWaalsContact NE2-NH1 3.12Å; H1296-R1299 PolarHBondContact O-N 2.92Å; H1296-H1300 VanDerWaalsContact O-CB 3.32Å; H1296-H1300 WeakPolarHBondContact O-CB 3.48Å; H1296-H1300 PolarHBondContact O-N 3.44Å
1297R88.4Confident80.2Confident83 Ų8385.7 Ų85.731%0.31343%0.425SS..Hα-helixtrans-55.5-52.9167179.8179.3-179.1-124.419.4110.6G1283 F1291 N1293 P1294 R1299 H1300 L1301G1283-R1297 VanDerWaalsContact O-CZ 3.28Å; G1283-R1297 PolarHBondContact O-NE 2.89Å; G1283-R1297 PolarHBondContact O-NH2 3.38Å; F1291-R1297 HydrophobicContact CB-CB 3.99Å; F1291-R1297 HydrophobicContact CD2-CB 3.77Å; F1291-R1297 HydrophobicContact CD2-CG 4.13Å; F1291-R1297 HydrophobicContact CG-CB 4Å; N1293-R1297 PolarHBondContact O-N 3.42Å; P1294-R1297 PolarHBondContact O-N 2.98Å; R1297-R1299 PolarHBondContact O-N 3.05Å; R1297-H1300 CarbonylContact O-C 3.5Å; R1297-H1300 WeakPolarHBondContact O-CA 3.25Å; R1297-H1300 WeakPolarHBondContact O-CB 3.23Å; R1297-H1300 PolarHBondContact O-N 3.35Å; R1297-L1301 HydrophobicContact CG-CD1 3.77Å; R1297-L1301 HydrophobicContact CG-CG 3.91Å; R1297-L1301 WeakPolarHBondContact O-CG 3.47Å; R1297-L1301 PolarHBondContact O-N 2.92Å
1298K84.4Confident79.7Confident134 Ų13486.9 Ų86.958%0.58343%0.426SS*.Hα-helixtrans-57.9-44.9-178.6-171.6168.8-176.4170.20112.3P1294 H1300 L1301 L1302P1294-K1298 WeakPolarHBondContact O-CB 3.14Å; P1294-K1298 PolarHBondContact O-N 2.94Å; K1298-H1300 VanDerWaalsContact C-N 3.28Å; K1298-H1300 PolarHBondContact O-N 2.91Å; K1298-L1301 PolarHBondContact O-N 3.44Å; K1298-L1302 HydrophobicContact CG-CD1 4.49Å; K1298-L1302 WeakPolarHBondContact O-CD1 3.18Å; K1298-L1302 WeakPolarHBondContact O-CG 3.17Å; K1298-L1302 PolarHBondContact O-N 2.85Å; K1298-L1302 VanDerWaalsContact O-N 3.15Å
1299R84.2Confident78.7Confident142 Ų14286.2 Ų86.254%0.53642%0.418SS..Hα-helixtrans-65.2-30.4175.5-167.2-172.1-60.5136.53.8112.7S1295 H1296 R1297S1295-R1299 WeakPolarHBondContact O-CB 3.23Å; S1295-R1299 PolarHBondContact O-N 3.29Å; H1296-R1299 PolarHBondContact CD2-NH1 3.01Å; H1296-R1299 PolarHBondContact NE2-NH1 2.82Å; H1296-R1299 VanDerWaalsContact NE2-NH1 3.12Å; H1296-R1299 PolarHBondContact O-N 2.92Å; R1297-R1299 PolarHBondContact O-N 3.05Å
1300H88.8Confident77.3Confident43 Ų4389.2 Ų89.220%0.19944%0.439CS..Hα-helixtrans-77.5-45.9174.3168.483.9000112C1284 C1287 S1289 F1291 H1296 R1297 K1298 L1302 K1303 C1304C1284-H1300 WeakPolarHBondContact CB-NE2 3.23Å; C1284-H1300 PolarHBondContact SG-CD2 2.9Å; C1284-H1300 PolarHBondContact SG-NE2 2.78Å; C1287-H1300 PolarHBondContact SG-CE1 2.81Å; C1287-H1300 PolarHBondContact SG-NE2 3.43Å; S1289-H1300 PolarHBondContact OG-CE1 3.15Å; S1289-H1300 PolarHBondContact OG-NE2 2.98Å; F1291-H1300 HydrophobicContact CE1-CB 3.79Å; F1291-H1300 HydrophobicContact CE2-CB 3.87Å; F1291-H1300 AromaticContact CE2-CD2 3.44Å; F1291-H1300 VanDerWaalsContact CE2-CD2 3.44Å; F1291-H1300 WeakPolarHBondContact CE2-CD2 3.5Å; F1291-H1300 AromaticContact CE2-CG 3.63Å; F1291-H1300 HydrophobicContact CZ-CB 3.35Å; F1291-H1300 AromaticContact CZ-CD2 3.47Å; F1291-H1300 VanDerWaalsContact CZ-CD2 3.47Å; F1291-H1300 WeakPolarHBondContact CZ-CD2 3.43Å; F1291-H1300 AromaticContact CZ-CG 3.16Å; F1291-H1300 AromaticContact CZ-ND1 3.65Å; H1296-H1300 VanDerWaalsContact O-CB 3.32Å; H1296-H1300 WeakPolarHBondContact O-CB 3.48Å; H1296-H1300 PolarHBondContact O-N 3.44Å; R1297-H1300 CarbonylContact O-C 3.5Å; R1297-H1300 WeakPolarHBondContact O-CA 3.25Å; R1297-H1300 WeakPolarHBondContact O-CB 3.23Å; R1297-H1300 PolarHBondContact O-N 3.35Å; K1298-H1300 VanDerWaalsContact C-N 3.28Å; K1298-H1300 PolarHBondContact O-N 2.91Å; H1300-L1302 VanDerWaalsContact C-N 3.28Å; H1300-L1302 PolarHBondContact O-N 2.78Å; H1300-K1303 CarbonylContact O-C 2.93Å; H1300-K1303 WeakPolarHBondContact O-CA 3.48Å; H1300-K1303 WeakPolarHBondContact O-CB 3.48Å; H1300-K1303 PolarHBondContact O-N 3.39Å; H1300-C1304 PolarHBondContact NE2-SG 3.41Å; H1300-C1304 WeakPolarHBondContact O-CB 3.29Å; H1300-C1304 PolarHBondContact O-N 3.49Å
1301L86.8Confident75.7Confident38 Ų3889.4 Ų89.420%0.19944%0.437CS..Hα-helixtrans-51.8-47.2175.9-72.6171.5000111.3C1284 P1285 Y1286 R1297 K1298 K1303 C1304 K1305C1284-L1301 HydrophobicContact CB-CD2 4.31Å; P1285-L1301 HydrophobicContact CG-CD2 4.46Å; Y1286-L1301 HydrophobicContact CD2-CD2 4.08Å; Y1286-L1301 HydrophobicContact CE2-CD2 4.13Å; R1297-L1301 HydrophobicContact CG-CD1 3.77Å; R1297-L1301 HydrophobicContact CG-CG 3.91Å; R1297-L1301 WeakPolarHBondContact O-CG 3.47Å; R1297-L1301 PolarHBondContact O-N 2.92Å; K1298-L1301 PolarHBondContact O-N 3.44Å; L1301-K1303 PolarHBondContact O-N 3.14Å; L1301-C1304 PolarHBondContact O-N 3.34Å; L1301-C1304 VanDerWaalsContact O-N 3.13Å; L1301-K1305 WeakPolarHBondContact O-CB 3.32Å; L1301-K1305 PolarHBondContact O-N 3.28Å
1302L85.7Confident73.6Confident111 Ų11193.4 Ų93.458%0.58146%0.461SS*.Hα-helixtrans-56.2-29.9174.3-77.2162.3000113.7K1298 H1300K1298-L1302 HydrophobicContact CG-CD1 4.49Å; K1298-L1302 WeakPolarHBondContact O-CD1 3.18Å; K1298-L1302 WeakPolarHBondContact O-CG 3.17Å; K1298-L1302 PolarHBondContact O-N 2.85Å; K1298-L1302 VanDerWaalsContact O-N 3.15Å; H1300-L1302 VanDerWaalsContact C-N 3.28Å; H1300-L1302 PolarHBondContact O-N 2.78Å
1303K82.5Confident71.6Confident140 Ų14096.2 Ų96.261%0.60947%0.474SS*.Hα-helixtrans-95.9-19.9177.8-68.1-173.6175.7-161.90113.9H1300 L1301 R1307H1300-K1303 CarbonylContact O-C 2.93Å; H1300-K1303 WeakPolarHBondContact O-CA 3.48Å; H1300-K1303 WeakPolarHBondContact O-CB 3.48Å; H1300-K1303 PolarHBondContact O-N 3.39Å; L1301-K1303 PolarHBondContact O-N 3.14Å; K1303-R1307 VanDerWaalsContact O-CD 3.32Å; K1303-R1307 WeakPolarHBondContact O-CD 3.5Å; K1303-R1307 VanDerWaalsContact O-CG 3.25Å; K1303-R1307 WeakPolarHBondContact O-CG 3.5Å
1304C81.7Confident69.5Low8 Ų8100.6 Ų100.65%0.05450%0.497CS..Hα-helixtrans-85.2-48.4179.1-143.40000109.1Y1286 H1300 L1301 A1306 R1307 H1308Y1286-C1304 HydrophobicContact CD2-CB 4.4Å; H1300-C1304 PolarHBondContact NE2-SG 3.41Å; H1300-C1304 WeakPolarHBondContact O-CB 3.29Å; H1300-C1304 PolarHBondContact O-N 3.49Å; L1301-C1304 PolarHBondContact O-N 3.34Å; L1301-C1304 VanDerWaalsContact O-N 3.13Å; C1304-A1306 VanDerWaalsContact C-N 3.3Å; C1304-A1306 PolarHBondContact O-N 3.3Å; C1304-R1307 WeakPolarHBondContact O-CA 3.41Å; C1304-R1307 WeakPolarHBondContact O-CB 3.14Å; C1304-R1307 PolarHBondContact O-N 2.95Å; C1304-H1308 PolarHBondContact O-CD2 3.37Å; C1304-H1308 VanDerWaalsContact O-CD2 3.26Å; C1304-H1308 PolarHBondContact O-N 3.47Å; C1304-H1308 VanDerWaalsContact O-N 3.13Å
1305K80.8Confident67.2Low100 Ų100104.4 Ų104.444%0.43552%0.519SS..Hα-helixtrans-53.9-48.4175.6-165.9-179.8174173.30111Y1286 L1301 R1307 H1308 Q1309Y1286-K1305 HydrophobicContact CE2-CB 4.12Å; Y1286-K1305 HydrophobicContact CE2-CG 4.43Å; L1301-K1305 WeakPolarHBondContact O-CB 3.32Å; L1301-K1305 PolarHBondContact O-N 3.28Å; K1305-R1307 PolarHBondContact O-N 3.39Å; K1305-H1308 PolarHBondContact O-N 2.87Å; K1305-H1308 VanDerWaalsContact O-N 3.1Å; K1305-Q1309 HydrophobicContact CG-CG 4.13Å; K1305-Q1309 WeakPolarHBondContact O-CG 3.48Å; K1305-Q1309 PolarHBondContact O-N 3.25Å
1306A76.6Confident64.9Low67 Ų67106.7 Ų106.755%0.55454%0.535SS*.Hα-helixtrans-67.34.1174.200000116.2C1304C1304-A1306 VanDerWaalsContact C-N 3.3Å; C1304-A1306 PolarHBondContact O-N 3.3Å
1307R71.3Confident62Low189 Ų189106.1 Ų106.171%0.71355%0.547SS*.Hα-helixtrans-116.4-14.4172.5-80176.3170.8-157-9113.5K1303 C1304 K1305K1303-R1307 VanDerWaalsContact O-CD 3.32Å; K1303-R1307 WeakPolarHBondContact O-CD 3.5Å; K1303-R1307 VanDerWaalsContact O-CG 3.25Å; K1303-R1307 WeakPolarHBondContact O-CG 3.5Å; C1304-R1307 WeakPolarHBondContact O-CA 3.41Å; C1304-R1307 WeakPolarHBondContact O-CB 3.14Å; C1304-R1307 PolarHBondContact O-N 2.95Å; K1305-R1307 PolarHBondContact O-N 3.39Å
1308H69.9Low59Low71 Ų71109.2 Ų109.233%0.32957%0.569SS.*Hα-helixtrans-96.8-38.4173.5-73.4-90.6000110.1Y1286 C1304 K1305 S1310 N1311Y1286-H1308 PolarHBondContact O-CE1 3.16Å; Y1286-H1308 VanDerWaalsContact O-CE1 3.3Å; Y1286-H1308 PolarHBondContact O-NE2 2.61Å; C1304-H1308 PolarHBondContact O-CD2 3.37Å; C1304-H1308 VanDerWaalsContact O-CD2 3.26Å; C1304-H1308 PolarHBondContact O-N 3.47Å; C1304-H1308 VanDerWaalsContact O-N 3.13Å; K1305-H1308 PolarHBondContact O-N 2.87Å; K1305-H1308 VanDerWaalsContact O-N 3.1Å; H1308-S1310 PolarHBondContact O-N 3.05Å; H1308-N1311 WeakPolarHBondContact O-CB 3.43Å; H1308-N1311 PolarHBondContact O-N 3.06Å; H1308-N1311 VanDerWaalsContact O-N 3.13Å
1309Q53.1Low56.1Low116 Ų116112.2 Ų112.254%0.54258%0.583SS.*THydrogen-bonded Turntrans-63.4-2174.5-68-173.5-73.400115.6K1305K1305-Q1309 HydrophobicContact CG-CG 4.13Å; K1305-Q1309 WeakPolarHBondContact O-CG 3.48Å; K1305-Q1309 PolarHBondContact O-N 3.25Å
1310S46.4Very low53.1Low85 Ų85110 Ų11059%0.59459%0.589SS**THydrogen-bonded Turntrans-102.819.7175.666.70000112.5H1308H1308-S1310 PolarHBondContact O-N 3.05Å
1311N41.5Very low50Low94 Ų94112.9 Ų112.950%0.50361%0.614SS.*SBendtrans-135.4-0.3-169.6-111.793.3000113.7H1308H1308-N1311 WeakPolarHBondContact O-CB 3.43Å; H1308-N1311 PolarHBondContact O-N 3.06Å; H1308-N1311 VanDerWaalsContact O-N 3.13Å
1312D35.4Very low47.1Very low125 Ų125117.9 Ų117.967%0.66865%0.647SS**SBendtrans-113.514.9-169.9-52.1-30000112.4
1313E30.6Very low44.1Very low178 Ų178119 Ų11983%0.83265%0.652SS**SBendtrans-105.67.2179.8-75.2178.7170.400114
1314L30.9Very low41.3Very low159 Ų159119.9 Ų119.983%0.83266%0.664SS**SBendtrans-141.178.3170.6-79101.4000111.1
1315T29.9Very low38.6Very low141 Ų141125 Ų12587%0.86569%0.691SS**  trans172.284.1145.143.30000109.3
1316S29.5Very low35.8Very low122 Ų122126.8 Ų126.885%0.85371%0.705SS**  trans-164.563.4166.761.10000111.1
1317A23.8Very low33.4Very low83 Ų83131.9 Ų131.969%0.68672%0.721SS**  trans-142.6128.1165.900000107.3
1318N24.6Very low31Very low148 Ų148131.2 Ų131.279%0.79172%0.724SS**  trans68.5137.2-177.5-41.1-14.5000113
1319F24.7Very low28.8Very low196 Ų196133.2 Ų133.286%0.8675%0.746SS**  cis-130.2155.913.5-105.1-92.4000112.8
1320S19.9Very low27.3Very low96 Ų96135.1 Ų135.167%0.67175%0.754SS**  trans-103167.8165.351.90000111.3
1321S23.6Very low26.3Very low104 Ų104138.9 Ų138.973%0.72777%0.768SS**  trans57.1112.3158.759.40000119.6
1322T27.8Very low25.4Very low143 Ų143139.5 Ų139.588%0.87778%0.775SS**  -146.7142.7108.6300000110.1
1323L21.2Very low25Very low134 Ų134142 Ų14270%0.70279%0.785SS**  trans-73.1160.3162.5-92.564.8000109.1
1324D25.2Very low24.5Very low158 Ų158139.5 Ų139.585%0.84578%0.776SS**  -166.8161.6109.9-99.9-32.1000113.5
1325N23.1Very low24.4Very low117 Ų117140.1 Ų140.163%0.62678%0.779SS**  trans-101.3170.4-156.9-69.5-49.7000114.7
1326N21.8Very low24Very low136 Ų136138.9 Ų138.973%0.72777%0.767SS**  trans63.9127.2149.3-63-17.6000119.4
1327I26.8Very low23.7Very low174 Ų174141 Ų14189%0.89276%0.763SS**  -150.2132.6113.9-96.1147.7000107.8
1328F21.6Very low24.2Very low176 Ų176141.6 Ų141.677%0.77276%0.76SS**  trans-75.7152.5171.9-106.5-111000110.2
1329S22.6Very low24Very low113 Ų113142.9 Ų142.979%0.7976%0.761SS**  161.5144.7119.7-73.70000112.9
1330H21.6Very low24.1Very low155 Ų155142.5 Ų142.572%0.71876%0.762SS**  trans-44.1145.6172.7-78.8-115.5000115.7
1331D26.3Very low24.2Very low165 Ų165144.7 Ų144.788%0.88276%0.762SS**  -135.7116.2126.5-102.6-38.1000108.8
1332V22.2Very low24.3Very low107 Ų107145.7 Ų145.765%0.64876%0.764SS**  trans-118.7110.4173.2172.70000106.6
1333M27Very low24.2Very low178 Ų178146 Ų14688%0.87776%0.758SS**  trans-120.5119.1168.1-84.7-69.5176.300109.4
1334N20.2Very low24.4Very low124 Ų124145.4 Ų145.466%0.66376%0.764SS**  trans-58.5150.1169.2-76.1-37.1000111.3
1335I28.6Very low24.4Very low173 Ų173146.9 Ų146.989%0.88777%0.766SS**  -150.9131.1125.5-91.4140.2000106.1
1336N22.1Very low24.6Very low114 Ų114144.8 Ų144.861%0.6177%0.765SS**  trans-98.6166.2-173.2-77-24.3000113.1
1337H23.9Very low24.9Very low168 Ų168145 Ų14578%0.77877%0.766SS**  trans75.4152.7151.8-71.7-58.8000119.3
1338P33.5Very low24.9Very low94 Ų94145.6 Ų145.661%0.6176%0.762SS**  -138179.9-56.635.5-16.5000113.3
1339E20.9Very low24.9Very low176 Ų176145.5 Ų145.582%0.82277%0.766SS**  trans21.9118143.7-67.7144.4-146.300120
1340E25.5Very low24.9Very low188 Ų188145.3 Ų145.388%0.87976%0.764SS**  -167.5124.4108.1-106.1179.7-171.500111.1
1341E21.6Very low25.1Very low141 Ų141149 Ų14966%0.65977%0.772SS**  trans-91.6114173.1-67-172.2148.900110.6N1446E1341-N1446 PolarHBondContact OE2-ND2 2.75Å
1342T27.4Very low25.1Very low126 Ų126145.2 Ų145.277%0.77376%0.758SS**  trans-146.389.3156.429.90000113.3
1343I24.4Very low25.1Very low148 Ų148149 Ų14976%0.75977%0.766SS**  trans21.2109.4132-54.4166.4000116.5
1344C26.7Very low25Very low123 Ų123148 Ų14883%0.83176%0.756SS**  trans-131.275.8154.4-175.50000110.3A1346C1344-A1346 PolarHBondContact O-N 2.95Å; C1344-A1346 VanDerWaalsContact O-N 3.16Å
1345E24.6Very low25.4Very low188 Ų188147.6 Ų147.688%0.87975%0.754SS**  trans-82.481.4175.3-75.1-155.413100112.6
1346A28Very low25.2Very low74 Ų74144.9 Ų144.961%0.61275%0.75SS**  trans-149.2129.3160.300000112.9C1344C1344-A1346 PolarHBondContact O-N 2.95Å; C1344-A1346 VanDerWaalsContact O-N 3.16Å
1347N28.4Very low25.5Very low141 Ų141145.6 Ų145.675%0.75475%0.752SS**  trans92.292.5167.5-58.2-56.1000120
1348K26.4Very low25.8Very low185 Ų185143 Ų14380%0.80475%0.751SS**  43.6122.2112.5-75.6172-178.4160.50119.4
1349M22Very low25.4Very low174 Ų174144.5 Ų144.586%0.85776%0.755SS**  trans90.3140.2142.5-69.7-159.9174.400120.7
1350C22.4Very low25.9Very low109 Ų109144 Ų14474%0.73676%0.758SS**  trans72.2104.7159.4-700000119.2
1351R25.6Very low26Very low234 Ų234138.5 Ų138.588%0.88375%0.751SS**  176129.2117.9-85.9145.6-161-147.76.5106.2
1352S25.2Very low26.3Very low85 Ų85138.9 Ų138.959%0.59476%0.763SS**  58.9140.760.378.30000113.8
1353F22.6Very low26.5Very low185 Ų185138 Ų13881%0.81176%0.761SS**  trans81.3117.1-171.1-59.6-89.6000113
1354K25.7Very low26.9Very low157 Ų157138.8 Ų138.868%0.68376%0.762SS**  cis85.2129.441.7-166.9-170.2171-83.20109.6
1355D27.3Very low27.2Very low116 Ų116140.8 Ų140.862%0.6276%0.759SS**  trans72.273.7175.6-47.2-36.5000115.3
1356C25.5Very low27.7Very low117 Ų117136.4 Ų136.479%0.79175%0.747SS**  trans-93.794.4149.2-172.20000107.4
1357I27Very low28.3Very low129 Ų129138.3 Ų138.366%0.66275%0.752SS**  trans-89.9109.6157.9-63.7168.8000103.9D1359I1357-D1359 VanDerWaalsContact CG2-OD2 3.28Å; I1357-D1359 WeakPolarHBondContact CG2-OD2 3.47Å
1358C31.1Very low28.7Very low112 Ų112141.4 Ų141.476%0.75776%0.758SS**  trans-103.681.8169.950.20000107.5
1359D25.8Very low29.1Very low127 Ų127134.7 Ų134.768%0.67974%0.735SS**  trans-71.6152.1156.3-69.2-47.4000108.7I1357I1357-D1359 VanDerWaalsContact CG2-OD2 3.28Å; I1357-D1359 WeakPolarHBondContact CG2-OD2 3.47Å
1360N30.6Very low29.7Very low166 Ų166133.2 Ų133.289%0.88874%0.735SS**SBendtrans64.6147.5169.5-60.9-12.7000118.8
1361G27.6Very low30.3Very low71 Ų71137.2 Ų137.273%0.73274%0.74SS**  trans90.4102146.900000115.9S1363G1361-S1363 PolarHBondContact O-N 3.01Å
1362V28.8Very low30.6Very low150 Ų150130.4 Ų130.491%0.90973%0.728SS**  trans-44.7104.1162.1-178.60000111.4
1363S31.2Very low30.9Very low107 Ų107131.9 Ų131.975%0.74873%0.733SS**  trans-133.5108.2157.6730000109.2G1361G1361-S1363 PolarHBondContact O-N 3.01Å
1364E31.9Very low31.2Very low164 Ų164131 Ų13177%0.76674%0.736SS**  trans-63.2164.7168.6-60.2-175.1137.600110
1365H32.6Very low31.3Very low166 Ų166134 Ų13477%0.76975%0.745SS**  trans80.750.4-178.8-46.9-44.7000119.1
1366C36.3Very low31.2Very low95 Ų95136.7 Ų136.764%0.64276%0.758SS**  trans-97.556.4146.2-163.50000111.8K1368C1366-K1368 PolarHBondContact O-N 3.43Å; C1366-K1368 VanDerWaalsContact O-N 3.16Å
1367T40.9Very low31.4Very low115 Ų115138.4 Ų138.471%0.70676%0.759SS**THydrogen-bonded Turntrans-71.3-6.3-173.949.30000115
1368K36.1Very low31.4Very low205 Ų205139.9 Ų139.989%0.89177%0.767SS**THydrogen-bonded Turntrans-101.28.6-179.3-69.4178.9-179.21700115C1366C1366-K1368 PolarHBondContact O-N 3.43Å; C1366-K1368 VanDerWaalsContact O-N 3.16Å
1369C34.1Very low31.1Very low45 Ų45141.6 Ų141.630%0.30477%0.768SS.*  trans-111.392.4172.5-169.40000113.4K1371 C1372C1369-K1371 PolarHBondContact O-N 3.09Å; C1369-C1372 PolarHBondContact O-N 3.43Å; C1369-C1372 VanDerWaalsContact SG-SG 3.68Å
1370T34.5Very low31.1Very low142 Ų142142.4 Ų142.487%0.87177%0.771SS**THydrogen-bonded Turntrans-66.821.4175.950.80000115.4
1371K35Very low30.7Very low193 Ų193145.6 Ų145.684%0.83977%0.772SS**THydrogen-bonded Turntrans-128.4-5.6176.8-84.6-178.8-179.2164.40115C1369C1369-K1371 PolarHBondContact O-N 3.09Å
1372C31.8Very low30.5Very low92 Ų92146.7 Ų146.762%0.62277%0.769SS**THydrogen-bonded Turntrans-110.3-25.2-178.8-66.70000113.5C1369 L1374C1369-C1372 PolarHBondContact O-N 3.43Å; C1369-C1372 VanDerWaalsContact SG-SG 3.68Å; C1372-L1374 PolarHBondContact O-N 3.49Å
1373T31.5Very low30.4Very low115 Ų115149.3 Ų149.371%0.70677%0.768SS**THydrogen-bonded Turntrans-80.154.1178.133.40000113.7
1374L30.8Very low29.9Very low167 Ų167152.9 Ų152.987%0.87477%0.773SS**THydrogen-bonded Turntrans-15124.5169.8-115.4173.2000113C1372C1372-L1374 PolarHBondContact O-N 3.49Å
1375Y25.9Very low29.6Very low221 Ų221151.7 Ų151.787%0.86777%0.771SS**SBendtrans-151.971.8176-144.1-81.9000111.8
1376L26Very low29.2Very low171 Ų171149.3 Ų149.390%0.89577%0.77SS**  trans-172.288.6156.5-102.8168.7000106.2
1377D29.2Very low28.6Very low153 Ų153151.5 Ų151.582%0.81878%0.781SS**  trans-16131.2178.9-122.3-10.1000112.3
1378I27.5Very low27.8Very low160 Ų160153.3 Ų153.382%0.82179%0.786SS**SBendtrans-146.288.9159-53.8-179.4000107.3
1379L24.9Very low27.1Very low149 Ų149150.2 Ų150.278%0.7878%0.779SS**SBendtrans174.3124.4140.8-97.4165.9000109.6
1380L25.1Very low26.8Very low143 Ų143157.3 Ų157.375%0.74981%0.805SS**  trans63.8115.6159.4-48172000115.2
1381Y23.3Very low26.2Very low233 Ų233156.8 Ų156.891%0.91480%0.801SS**  cis62.260.824.5-123.8-68.5000114.4
1382S23.6Very low25.7Very low95 Ų95154.5 Ų154.566%0.66480%0.797SS**  trans-161.981.4159540000109.7
1383K26.2Very low25.2Very low205 Ų205156.3 Ų156.389%0.89180%0.8SS**  trans-98.891.1158.1-109.4-166.3176.9-1710107.3
1384E20.9Very low24.7Very low182 Ų182156.8 Ų156.885%0.8580%0.798SS**  trans-67.3127.5159.3-67.6170.9171.400107.3
1385I24.7Very low24.3Very low139 Ų139156.2 Ų156.271%0.71379%0.791SS**  trans-114.2136.8160.6-68.4178.7000104.7T1387I1385-T1387 PolarHBondContact O-N 3.31Å
1386P25.3Very low24.1Very low116 Ų116151 Ų15175%0.75378%0.782SS**  trans-66.7125.2-164.5-18.931.9000111.9N1388P1386-N1388 PolarHBondContact O-N 2.95Å
1387T23.2Very low24Very low141 Ų141149.3 Ų149.387%0.86577%0.773SS**  trans-70107.615647.20000107.6I1385I1385-T1387 PolarHBondContact O-N 3.31Å
1388N24.8Very low23.5Very low152 Ų152148.6 Ų148.681%0.81377%0.769SS**  trans-111.3133.3166-1294.4000108.1P1386P1386-N1388 PolarHBondContact O-N 2.95Å
1389D21.2Very low23.3Very low140 Ų140147.2 Ų147.275%0.74977%0.768SS**  trans-66.9141.2-165.1-58.3-70.6000114.6
1390K27.7Very low23.8Very low194 Ų194145 Ų14584%0.84376%0.762SS**  trans168.9109.9132.3-88.5149.7-167.9177.60108.1
1391V22Very low23.7Very low131 Ų131145.6 Ų145.679%0.79477%0.767SS**  78.7142.577.9171.50000111.8
1392I24.7Very low23.5Very low146 Ų146139 Ų13975%0.74975%0.754SS**  trans87.384.5-178.7-42.4-166000116.1
1393N20.2Very low23.5Very low130 Ų130142.3 Ų142.370%0.69576%0.763SS**  44.2144.8111.5-66.8-5.9000122
1394N22.5Very low23.3Very low125 Ų125136.9 Ų136.967%0.66874%0.744SS**  trans74.1145.6145.5-67.4-2.1000116.9
1395Q21.7Very low23.3Very low154 Ų154133.5 Ų133.572%0.7273%0.732SS**  cis-170.4166.2-9.3-117.4168.9-7.900108.7
1396V21.4Very low23.1Very low112 Ų112132.8 Ų132.868%0.67974%0.739SS**  trans74.1110.4136.7162.70000120.7
1397L22.9Very low22.8Very low136 Ų136130.4 Ų130.471%0.71274%0.735SS**  trans70117.3130.7-56.5-179.4000122.3
1398D20.5Very low22.8Very low137 Ų137129.1 Ų129.173%0.73373%0.732SS**  42129.6111.7-50.3-15000120.9
1399V23.2Very low23.1Very low131 Ų131131.2 Ų131.279%0.79473%0.734SS**  167.9136.9102.3159.50000107.9
1400P35.1Very low23.2Very low102 Ų102129.8 Ų129.866%0.66273%0.732SS**  trans-88.9166-17736.9-36.8000112.4
1401N22.1Very low22.9Very low157 Ų157126.3 Ų126.384%0.8473%0.727SS**  -166.1155.6125.1-101.4-34.5000115.5
1402S20.1Very low22.9Very low93 Ų93126.8 Ų126.865%0.6573%0.725SS**  trans-48.6162.1171.747.30000116.8
1403I24.3Very low22.9Very low166 Ų166127.1 Ų127.185%0.85173%0.727SS**  -173.8147.1110.2-91.3155.9000112.1
1404N21.1Very low22.9Very low91 Ų91126.5 Ų126.549%0.48773%0.732SS.*  trans-62.4156-173.3-76-44.2000118.7Y1523N1404-Y1523 PolarHBondContact ND2-OH 3.44Å; N1404-Y1523 WeakPolarHBondContact OD1-CE2 3.34Å; N1404-Y1523 PolarHBondContact OD1-OH 3.25Å
1405N20.6Very low23Very low111 Ų111126.7 Ų126.759%0.59474%0.738SS**  trans30.7135.2136.1-70.7-35.3000122.3
1406S20.2Very low22.9Very low124 Ų124122.9 Ų122.987%0.86773%0.733SS**  trans77.9134.1136.873.80000120
1407G19.4Very low22.9Very low66 Ų66127.5 Ų127.568%0.6874%0.74SS**  trans123.9139147.600000116.3
1408S24.1Very low22.8Very low113 Ų113127.4 Ų127.479%0.7974%0.739SS**  trans61.4120.3160.862.10000119.9
1409K29.9Very low22.7Very low197 Ų197129.6 Ų129.686%0.85775%0.745SS**  trans-70.9144.3137.8-62.1176176-178.20108.5
1410P24.7Very low22.8Very low109 Ų109131.1 Ų131.171%0.70875%0.747SS**  -104.7133.2129.9-10.929.8000108.6
1411V20.8Very low22.1Very low121 Ų121131.2 Ų131.273%0.73375%0.746SS**  74.212471.3174.50000112.5
1412N21.4Very low22.1Very low141 Ų141130 Ų13075%0.75474%0.74SS**  trans14140.9155.1-56.4-13.6000119.6
1413I25.1Very low22.2Very low154 Ų154133.6 Ų133.679%0.7975%0.746SS**  -163.6146.494.7-93.4152.1000109.9
1414S19.8Very low22.2Very low116 Ų116132.2 Ų132.281%0.81174%0.74SS**  trans-95.8132.6171.3176.70000109
1415T24.9Very low22.3Very low129 Ų129134.3 Ų134.379%0.79175%0.75SS**  trans-144.7114.9165.7-5.70000110.3
1416A19.9Very low22.5Very low74 Ų74135.5 Ų135.561%0.61276%0.756SS**  trans-73.2168.2160.600000109.7
1417Y20.4Very low22.6Very low209 Ų209136.2 Ų136.282%0.8275%0.75SS**  -173.5132.7106.9-116.4-115.3000113.2
1418L21.9Very low22.7Very low134 Ų134139.9 Ų139.970%0.70276%0.755SS**  trans45.9118.8148.6-66.5-177.4000122.9
1419E18.2Very low22.5Very low184 Ų184139.4 Ų139.486%0.8675%0.751SS**  trans-57.7147139.9-59.1161.4138.900111.1
1420I25Very low22.3Very low162 Ų162138.8 Ų138.883%0.83175%0.751SS**  trans-131.3132.8160.9-64.5-179.2000107.3
1421T20.6Very low22.3Very low105 Ų105143 Ų14364%0.64476%0.758SS**  trans-103165.1-178.858.10000112.3
1422D21.5Very low22.8Very low131 Ų131141.9 Ų141.970%0.70175%0.753SS**  trans75.3130.2152.5-54.4-42.2000121.4
1423H21.8Very low22.9Very low168 Ų168145.4 Ų145.478%0.77876%0.763SS**  trans47120.8152.5-66.3-64.5000119.5
1424D24.7Very low22.8Very low137 Ų137143.5 Ų143.573%0.73376%0.758SS**  -164.8138.590.6-100.1-21.8000116.4
1425I23.3Very low23Very low135 Ų135143.8 Ų143.869%0.69276%0.76SS**  56.3130.5127.6-59.4171.7000123.2
1426N24.4Very low22.9Very low137 Ų137145.5 Ų145.573%0.73376%0.759SS**  trans79.4101.1153.8-79.9-22.3000123.6
1427N22.7Very low23Very low138 Ų138149.5 Ų149.574%0.73877%0.77SS**  37.3134113.7-75.1-18.9000123.1
1428N21.8Very low23Very low144 Ų144146.2 Ų146.277%0.7777%0.765SS**  trans96.4116.5144.3-71.9-11.5000121.7
1429S20.8Very low23Very low102 Ų102144.6 Ų144.671%0.71377%0.765SS**  trans61.3116.4135.462.70000122.1
1430E25.6Very low23.2Very low184 Ų184142.3 Ų142.386%0.8676%0.759SS**  160110.4127.8-87172.9-174.900107.8
1431K23.1Very low23Very low198 Ų198140.1 Ų140.186%0.86175%0.753SS**  49.8145.483-82.6-168.4178.2177.60115
1432P31.3Very low23.1Very low97 Ų97142.4 Ų142.463%0.6376%0.76SS**  cis-137.7159.2-3337.6-21.8000113.6
1433F24.1Very low23.1Very low216 Ų216142.7 Ų142.795%0.94776%0.761SS**  trans-128.6123.8144.3-111.3-81.6000109.9
1434T23.1Very low23.2Very low114 Ų114140.4 Ų140.470%0.69976%0.759SS**  trans-93.5132.6-173.941.20000111
1435S24.2Very low23.3Very low122 Ų122138.2 Ų138.285%0.85376%0.76SS**  -168.7112.3127.220.70000109.7
1436H22.6Very low23.3Very low164 Ų164137 Ų13776%0.75976%0.755SS**  trans-67.1138.9162.3-73.6-97.2000109
1437N22.6Very low23.5Very low158 Ų158134 Ų13485%0.84576%0.757SS**  -157.5127.4104.9-101.7-16.6000112.4
1438I19.9Very low23.6Very low141 Ų141136.9 Ų136.972%0.72377%0.765SS**  trans-108.4113.9171.1-65.3165.9000106.2
1439S22.2Very low23.5Very low100 Ų100138.8 Ų138.870%0.69977%0.77SS**  trans-162.1105.2156.9-34.30000106.1
1440N21.5Very low23.6Very low135 Ų135139.4 Ų139.472%0.72277%0.773SS**  79111.285.5-77-4.3000113.4
1441T21.5Very low23.5Very low116 Ų116139 Ų13971%0.71277%0.77SS**  trans51107.9134.763.80000118.4
1442I22.8Very low23.5Very low153 Ų153139.8 Ų139.879%0.78577%0.769SS**  170.9128.6109.3-87.8154.5000110.8
1443D21.4Very low23.1Very low138 Ų138141.6 Ų141.674%0.73877%0.773SS**  trans49.9132.3151.7-68.4-35.6000126.2
1444V23.9Very low23.1Very low119 Ų119138.4 Ų138.472%0.72177%0.765SS**  trans61.895.8136.1-176.70000118.6
1445A25.7Very low23.1Very low92 Ų92137.6 Ų137.676%0.7677%0.77SS**  trans-154.1112.2132.800000112.2G1447A1445-G1447 PolarHBondContact O-N 3.19Å
1446N25Very low23Very low110 Ų110136.4 Ų136.459%0.58876%0.762SS**  trans7.498.7155.1-63.1-49.6000119E1341E1341-N1446 PolarHBondContact OE2-ND2 2.75Å
1447G27.1Very low23.2Very low74 Ų74134.8 Ų134.876%0.76376%0.764SS**  trans-130.170.3172.300000112.9A1445 Q1449A1445-G1447 PolarHBondContact O-N 3.19Å; G1447-Q1449 PolarHBondContact O-N 3.48Å
1448Q24.6Very low23.2Very low197 Ų197133.4 Ų133.492%0.92177%0.765SS**  trans-64.982.8-176.6-69.8-178.8-14.200113.9
1449Q21Very low23.5Very low184 Ų184133.8 Ų133.886%0.8677%0.769SS**  trans-83.7114.7141.4-75.7-171.2-6.500108.4G1447G1447-Q1449 PolarHBondContact O-N 3.48Å
1450C22.4Very low23.5Very low116 Ų116137.5 Ų137.578%0.78478%0.777SS**  -176.7139.3117.4-105.80000112.4Y1452C1450-Y1452 PolarHBondContact O-N 3.28Å
1451H23.3Very low23.6Very low174 Ų174138 Ų13881%0.80678%0.78SS**  trans-60.3125.6159.7-81.2-133.5000109.7
1452Y23.9Very low23.8Very low215 Ų215140.8 Ų140.884%0.84378%0.784SS**  trans-109.388.3152.8-113.4-83.6000110.1C1450C1450-Y1452 PolarHBondContact O-N 3.28Å
1453L22Very low23.7Very low135 Ų135140.2 Ų140.271%0.70778%0.783SS**  trans-86.1149.4149.9-95.2168.8000108
1454L23.6Very low24.1Very low149 Ų149141.6 Ų141.678%0.7879%0.79SS**  trans78.1122.2163-62.1159.8000119.1
1455A23.4Very low23.9Very low97 Ų97143.3 Ų143.380%0.80279%0.79SS**  trans76147.9133.400000120.5
1456S23.8Very low24.1Very low98 Ų98146.3 Ų146.369%0.68579%0.788SS**SBendtrans-82152.1175.948.70000112
1457T25.4Very low24Very low130 Ų130149.4 Ų149.480%0.79880%0.797SS**  trans56.797153.854.30000116.2D1459T1457-D1459 PolarHBondContact O-N 3.39Å
1458C23.4Very low23.8Very low129 Ų129152.2 Ų152.287%0.87279%0.793SS**  trans-64.8123.5154.6-57.70000109.2
1459D24.7Very low23.8Very low149 Ų149148.2 Ų148.280%0.79778%0.784SS**  trans-142.5106.9150-144.4-14.4000105.1T1457T1457-D1459 PolarHBondContact O-N 3.39Å
1460M22.2Very low24.2Very low177 Ų177146.7 Ų146.787%0.87279%0.787SS**  trans-117.2107.7-177.3-81.5-74.9-6900106.7
1461N24.9Very low24.2Very low147 Ų147147.3 Ų147.379%0.78678%0.782SS**  trans-139.6146.1166.2-100.6-29.4000109.6
1462E24.6Very low24.2Very low173 Ų173144.7 Ų144.781%0.80877%0.774SS**  trans69.298.1174.9-60.6175178.700115.3
1463L22.6Very low24.1Very low142 Ų142140.6 Ų140.674%0.74377%0.767SS**  65.499.585.5-86.8135.7000113.6
1464N27.9Very low24.4Very low166 Ų166142.9 Ų142.989%0.88878%0.779SS**  -154.2137116.2-103.4-41.9000111.7
1465Q21.1Very low24.3Very low155 Ų155141.2 Ų141.272%0.72477%0.771SS**  trans-77.6150.1172.7-63161.9-16.400109
1466H28.4Very low24.3Very low156 Ų156143.8 Ų143.872%0.72277%0.771SS**  165.7116.4127.1-91.6-75.3000111.6
1467F22.9Very low24.4Very low175 Ų175145.3 Ų145.377%0.76878%0.776SS**  trans60153142.2-73.6-121.9000119.7
1468I23Very low24.2Very low133 Ų133147.3 Ų147.368%0.68278%0.78SS**  cis-155.1152-30.5-114.8-177000104.3
1469P25.9Very low24Very low113 Ų113148 Ų14873%0.73478%0.775SS**  trans-81.2151.2-165.732.1-36.6000114.6
1470V28.4Very low23.9Very low152 Ų152149 Ų14992%0.92178%0.779SS**  trans-114133.8155.1178.40000107.7
1471N22.4Very low23.9Very low129 Ų129148.1 Ų148.169%0.6977%0.772SS**  trans-106.1159.2-160.1-150.913.9000112.4
1472N23.8Very low23.8Very low119 Ų119147.5 Ų147.564%0.63677%0.768SS**  trans61.6110.6158.1-63.1-17.6000120.4
1473N22.2Very low23.9Very low128 Ų128144.2 Ų144.268%0.68477%0.765SS**  43.1116.9119.8-54.5-3.6000119.5
1474L27.1Very low23.9Very low183 Ų183143.5 Ų143.596%0.95876%0.762SS**  -129.2117.2128.6-146.578.8000109.6
1475D22.8Very low23.9Very low115 Ų115143.4 Ų143.462%0.61576%0.761SS**  trans-80.4154.3179.5-75.6-66.3000112.4
1476N22.4Very low24Very low151 Ų151143.1 Ų143.181%0.80777%0.765SS**  trans64.1146.3158.7-55.1-42000115.8
1477V25.7Very low24.1Very low129 Ų129143 Ų14378%0.78277%0.767SS**  cis-141.4118.428.1173.50000109.6
1478I22.2Very low24.2Very low172 Ų172141 Ų14188%0.88277%0.765SS**  trans-133.891.1158.3-57.3-177.9000108.7
1479N19.6Very low24.4Very low145 Ų145141.4 Ų141.478%0.77577%0.769SS**  trans-146.4111165.6-108.9-27.3000108.6
1480I22.8Very low24.3Very low170 Ų170143.1 Ų143.187%0.87277%0.771SS**  -177141.3122.3-91.7156000109.5
1481H21.1Very low24.1Very low158 Ų158143.3 Ų143.373%0.73177%0.766SS**  trans-90.6161.1-175.9-121.5-91.2000112.4
1482D22.1Very low24.1Very low133 Ų133143.8 Ų143.871%0.71177%0.768SS**  trans58.1122.3153.1-59.1-20.2000119
1483S27.1Very low24Very low105 Ų105143.1 Ų143.173%0.73478%0.779SS**  -176.1144.867.640.50000115.7
1484N22.3Very low24Very low127 Ų127142.7 Ų142.768%0.67978%0.781SS**  trans4.8129.2156.9-43.4-70.2000120.5
1485N28.8Very low23.8Very low163 Ų163140.3 Ų140.387%0.87277%0.774SS**  -162.1148.4100.4-100.7-32.5000113.9
1486D24Very low23.8Very low150 Ų150141.8 Ų141.880%0.80278%0.781SS**  trans-68.7146.2171.8-70-68.6000111.6
1487I29Very low23.8Very low152 Ų152145.3 Ų145.378%0.77979%0.785SS**  -178.2117.4121.4-90.9153000112
1488N25.2Very low23.8Very low135 Ų135144.7 Ų144.772%0.72279%0.786SS**  trans30.5138.3148.5-56.7-47.8000124
1489N26.5Very low23.8Very low141 Ų141143.3 Ų143.375%0.75478%0.78SS**  trans93.1106.3147.7-60.7-19.2000118.6
1490D24.4Very low24Very low148 Ų148144.8 Ų144.879%0.79178%0.783SS**  17.8115.9126.6-56.3-20.8000117.3
1491I24.3Very low24.1Very low157 Ų157143 Ų14381%0.80578%0.775SS**  -167.4126.6119.7-94.9149.2000110.9
1492N22.9Very low24.2Very low139 Ų139142.2 Ų142.274%0.74378%0.775SS**  trans24.8107154.4-51.1-19.8000120.2
1493A22.5Very low24.2Very low105 Ų105145.2 Ų145.287%0.86878%0.781SS**  trans-84.2103.9143.900000109.1
1494V22.3Very low23.9Very low118 Ų118146 Ų14672%0.71578%0.778SS**  trans-125.6100158.7175.80000105.6
1495V21.9Very low23.8Very low133 Ų133149.6 Ų149.681%0.80679%0.788SS**  trans-111.6129.3164.5174.50000106
1496L23Very low23.5Very low147 Ų147147.7 Ų147.777%0.7778%0.782SS**  trans-86.2145.9177.9-66.2162.2000108.5
1497Y22.3Very low23.9Very low225 Ų225145 Ų14588%0.88277%0.772SS**  trans-92.9136.9160.8-71.9-94.8000107.8
1498S25.3Very low23.6Very low115 Ų115141.1 Ų141.180%0.80476%0.758SS**  trans-146.4138.2165.852.80000108.2
1499D23.5Very low23.4Very low144 Ų144142 Ų14277%0.7776%0.757SS**  trans-93.5164.3-163.2-51.5-73.9000113.7
1500E23.8Very low23.2Very low176 Ų176141 Ų14182%0.82275%0.752SS**  trans74.8113.1161.6-59.1-173-171.900121
1501N25.1Very low23Very low132 Ų132136.6 Ų136.671%0.70673%0.728SS**  trans68.8111.7140.4-63.6-24.9000123.3
1502I23.1Very low23Very low142 Ų142135.8 Ų135.873%0.72872%0.716SS**  84.6130.6128.8-64.3173.1000120.6
1503F21.3Very low23Very low195 Ų195132.2 Ų132.286%0.85570%0.702SS**  trans76.4143.6162.8-86.6-59.1000123.1
1504D20.1Very low23Very low123 Ų123133.6 Ų133.666%0.65870%0.695SS**  trans-72.9149.1-177.3-51.9-85.8000114.4
1505F20.3Very low23.1Very low202 Ų202136.5 Ų136.589%0.88671%0.706SS**  178163102.1-113.1-90.7000113.3
1506V22.3Very low23.1Very low123 Ų123136 Ų13675%0.74570%0.703SS**  trans-109.6167-179.21680000108.3
1507P32.5Very low23Very low94 Ų94136.5 Ų136.561%0.6171%0.706SS**  cis-120.6-169.8-14.333.3-14.2000112.9
1508C23.3Very low22.9Very low69 Ų69134 Ų13447%0.46670%0.702SS.*  -166.4106.1113.9-1030000114.6N1095N1095-C1508 PolarHBondContact ND2-SG 3.4Å; N1095-C1508 PolarHBondContact OD1-SG 3.39Å
1509E21.2Very low22.7Very low154 Ų154135.3 Ų135.372%0.7270%0.7SS**  47101.5120.9-71.6-174.7173.100122.4
1510D21.6Very low22.7Very low121 Ų121135 Ų13565%0.64770%0.699SS**  101.9150.895.6-140.89.8000120.7
1511I21.8Very low23Very low55 Ų55132.1 Ų132.128%0.28270%0.695SS.*  trans77.886.6158.4-55.8148.8000118.4R1099R1099-I1511 HydrophobicContact CB-CG2 4.32Å; R1099-I1511 HydrophobicContact CG-CB 4.33Å; R1099-I1511 HydrophobicContact CG-CD1 3.69Å; R1099-I1511 HydrophobicContact CG-CG1 3.61Å; R1099-I1511 HydrophobicContact CG-CG2 3.62Å
1512Y24.1Very low22.8Very low139 Ų139134.4 Ų134.455%0.54570%0.701SS.*  -153.6117.287.1-121.6-70.2000112.7R1099 N1100R1099-Y1512 WeakPolarHBondContact CA-OH 3.32Å; R1099-Y1512 WeakPolarHBondContact CB-OH 3.41Å; N1100-Y1512 WeakPolarHBondContact CA-OH 3.43Å; N1100-Y1512 PolarHBondContact N-OH 3.42Å; N1100-Y1512 PolarHBondContact ND2-OH 3.31Å; N1100-Y1512 PolarHBondContact OD1-OH 2.83Å
1513S22.3Very low22.9Very low65 Ų65135 Ų13546%0.45570%0.696SS.*  trans-88.8143.2-17153.10000114.1
1514N21.8Very low22.9Very low133 Ų133132.3 Ų132.371%0.71169%0.689SS**  trans62.6102.2143.5-56.9-13.9000119.3
1515N23.8Very low22.9Very low179 Ų179132.8 Ų132.896%0.95769%0.692SS**  trans-96.594.5137.1-84.1-30.7000108.1
1516T23.8Very low23Very low122 Ų122130 Ų13075%0.74869%0.692SS**  trans-67.8154.3177.7-17.40000111.4
1517L20.2Very low23.3Very low159 Ų159128.3 Ų128.383%0.83269%0.691SS**  trans-64.9161.8174.9-8087.4000112.7
1518H20.9Very low22.8Very low172 Ų172131.8 Ų131.880%0.79670%0.703SS**  trans-30.3136156.9-79.6-86.1000114.5
1519N21.2Very low22.6Very low143 Ų143137 Ų13777%0.76572%0.721SS**  -177.2122.9112-88.2-18.1000111.6
1520N22.5Very low22.8Very low137 Ų137137.8 Ų137.873%0.73373%0.73SS**  158.8133.7128.7-85.2-0.9000112
1521P29.2Very low22.8Very low116 Ų116140.4 Ų140.475%0.75374%0.738SS**  trans-103.713416035.3-25.6000111.3
1522E21.3Very low22.8Very low179 Ų179143.6 Ų143.684%0.83676%0.763SS**  trans174.7172.6144.5-102.7170.7-168.800111.8
1523Y26Very low22.7Very low155 Ų155145.9 Ų145.961%0.60878%0.78SS**  trans74.7114.4-169.5-71.2-92.4000115.5N1404N1404-Y1523 PolarHBondContact ND2-OH 3.44Å; N1404-Y1523 WeakPolarHBondContact OD1-CE2 3.34Å; N1404-Y1523 PolarHBondContact OD1-OH 3.25Å
1524L20Very low22.6Very low138 Ų138147.6 Ų147.672%0.72379%0.792SS**  cis82.2120.644.7-79.1162.1000115.9
1525N20.8Very low22.7Very low133 Ų133146.5 Ų146.571%0.71180%0.795SS**  trans57.8114.5152-61.8-12.3000120.2
1526T23.2Very low22.7Very low144 Ų144142.9 Ų142.988%0.88378%0.784SS**  170.1173.4106.6390000111.8
1527A28Very low22.7Very low87 Ų87143 Ų14372%0.71979%0.785SS**  trans70.595.5-176.200000114.4
1528L22.3Very low22.9Very low167 Ų167142.3 Ų142.387%0.87478%0.782SS**  65.6124.784-89.791.7000115.1
1529E18.9Very low23.2Very low180 Ų180140.5 Ų140.584%0.84178%0.778SS**  trans-42.9138.9169.5-58.6163.7157.200113.4
1530N25.8Very low23.4Very low169 Ų169141.4 Ų141.490%0.90478%0.781SS**  trans-160.2148149.5-96.2-58.2000109.8
1531E20.3Very low23.4Very low177 Ų177141 Ų14183%0.82778%0.784SS**  trans-70.1163.1-161.3-77.8-152.5145.600117.1M1533E1531-M1533 PolarHBondContact O-N 2.87Å
1532P23.3Very low23.2Very low122 Ų122141.3 Ų141.379%0.79278%0.784SS**  trans-64.4118.5-177.825.2-35.9000113.3S1534P1532-S1534 PolarHBondContact O-N 3Å
1533M21.8Very low23.4Very low186 Ų186139.3 Ų139.392%0.91678%0.779SS**  trans-59.2108168.6-89.1-73.1-156.500111.9E1531E1531-M1533 PolarHBondContact O-N 2.87Å
1534S20.2Very low23.5Very low101 Ų101140 Ų14071%0.70679%0.793SS**  trans-75.7145.2160.259.20000110.7P1532P1532-S1534 PolarHBondContact O-N 3Å
1535S22.7Very low23.7Very low111 Ų111137.7 Ų137.778%0.77679%0.794SS**  trans171.4154.4142.344.80000113.7
1536S23.8Very low23.9Very low103 Ų103139 Ų13972%0.7280%0.799SS**  trans66.970.7175.667.70000116.9
1537T23.5Very low24.1Very low124 Ų124140 Ų14076%0.76180%0.797SS**  62.8110.491.164.30000116.3
1538N25Very low23.8Very low144 Ų144141.2 Ų141.277%0.7780%0.801SS**  -167.8123.4115.1-94.4-47.2000112.3
1539N26.6Very low24.1Very low135 Ų135138.9 Ų138.972%0.72280%0.799SS**  trans72.184.1151.3-54.7-15.3000119.6
1540I25.6Very low24.4Very low161 Ų161139 Ų13983%0.82680%0.798SS**  35.4118110.2-58174000116.7
1541T22.6Very low24.7Very low128 Ų128139.1 Ų139.179%0.78580%0.798SS**  trans-106.7136.316847.90000111.3
1542T25.7Very low25Very low124 Ų124139.4 Ų139.476%0.76180%0.799SS**  trans-156.2167.6147.140.70000109.4
1543D24.3Very low25Very low137 Ų137136.4 Ų136.473%0.73379%0.789SS**  trans70.582172.5-53-12.6000117.4
1544N28.1Very low25.3Very low169 Ų169134.4 Ų134.490%0.90478%0.783SS**  -175.113294.3-90.3-61.8000111.3
1545A25.4Very low25.7Very low89 Ų89136.3 Ų136.374%0.73679%0.785SS**  trans-109.9-179.417400000111
1546I25Very low26Very low162 Ų162137.3 Ų137.383%0.83178%0.781SS**  trans78.196.6172.6-41.5171.3000114.9
1547I26.5Very low26.2Very low163 Ų163138.9 Ų138.984%0.83678%0.782SS**  -168.3137.7108.9-90.8166.8000108
1548S22Very low26.6Very low113 Ų113140.9 Ų140.979%0.7979%0.788SS**  trans-88.4153.6-177.8-49.20000113.6
1549S29.7Very low26.5Very low119 Ų119140.4 Ų140.483%0.83278%0.784SS**  trans-156.3119.3155.359.20000111.8
1550H23.6Very low26.8Very low181 Ų181140.5 Ų140.584%0.83879%0.79SS**  trans-76145.5171.2-64.7-31.1000112.3
1551I32.4Very low26.8Very low173 Ų173137.6 Ų137.689%0.88778%0.78SS**  trans-144142.3142.8-62.6-169.9000108.2
1552H26.7Very low27.1Very low183 Ų183139.5 Ų139.585%0.84778%0.78SS**  trans-80.3165.4179.2-74.9-106.2000114
1553G22.6Very low27Very low58 Ų58140.3 Ų140.360%0.59878%0.778SS**  115.791.6120.400000118.8
1554D28.8Very low27.2Very low145 Ų145140.5 Ų140.578%0.77579%0.785SS**  74.3103.7126.3-45.8-16.4000121.3
1555D28.1Very low27.1Very low140 Ų140141.3 Ų141.375%0.74978%0.781SS**  88.6142.9117.1-66.3-7.5000124.8
1556N29.6Very low27.1Very low133 Ų133143.9 Ų143.971%0.71178%0.782SS**  trans72.790.4160.6-67.6-48.6000119.9
1557N28.7Very low27.4Very low135 Ų135143 Ų14372%0.72278%0.784SS**  35.9115.2111.6-64.5-28.7000117.9
1558N31.6Very low27.5Very low166 Ų166141.2 Ų141.289%0.88878%0.781SS**  -159.1138.699.4-106.9-32.7000115.2
1559L23.3Very low27.8Very low134 Ų134143.1 Ų143.170%0.70278%0.781SS**  trans-88134.3174.4176.474.4000109.2T1561L1559-T1561 HydrophobicContact CD1-CG2 4.09Å
1560T31.7Very low27.8Very low138 Ų138144.3 Ų144.385%0.84778%0.775SS**  trans-151.286.3147.9-20.50000111.4
1561T26.5Very low28Very low99 Ų99144.4 Ų144.461%0.60777%0.773SS**  trans-72.3121.6161.943.40000109.9L1559L1559-T1561 HydrophobicContact CD1-CG2 4.09Å
1562H28.1Very low27.8Very low169 Ų169141 Ų14178%0.78277%0.77SS**  trans-155.398.9146.3-100.9-73.7000110.9
1563L23.7Very low27.9Very low140 Ų140141.8 Ų141.873%0.73377%0.772SS**  27.9113.2113.2-66.3160.2000117.1
1564T29.5Very low28.2Very low142 Ų142144.2 Ų144.287%0.87178%0.779SS**  -165.9119.697.421.10000111.1
1565K25.6Very low28.3Very low186 Ų186144 Ų14481%0.80978%0.778SS**  trans-77.3160151.4-68172.4179.8169.20107.5
1566N24.4Very low28.7Very low143 Ų143145.7 Ų145.777%0.76579%0.785SS**  trans8777.7167.7-50.1-12.1000117.3
1567T31.8Very low29Very low144 Ų144146.7 Ų146.788%0.88378%0.783SS**  trans-130.952137.2440000111.3I1569T1567-I1569 VanDerWaalsContact C-N 3.28Å; T1567-I1569 PolarHBondContact O-N 3.44Å; T1567-I1569 VanDerWaalsContact O-N 3.13Å
1568T28.9Very low29Very low125 Ų125149.7 Ų149.777%0.76779%0.786SS**  trans-72.790.8148.645.20000108.1
1569I27.5Very low29.2Very low152 Ų152147 Ų14778%0.77978%0.78SS**  trans173.6105.3150.5-86.9146.2000105.8T1567T1567-I1569 VanDerWaalsContact C-N 3.28Å; T1567-I1569 PolarHBondContact O-N 3.44Å; T1567-I1569 VanDerWaalsContact O-N 3.13Å
1570M29.7Very low29.7Very low145 Ų145151.2 Ų151.271%0.71479%0.788SS**  trans-168.1113.9132.8-99.1-54.3172.100108.9
1571K28.5Very low30.1Very low182 Ų182151.2 Ų151.279%0.79178%0.783SS**  trans44.797145.3-64.7170.6-174.8171.30116.9K1573K1571-K1573 PolarHBondContact O-N 3.49Å
1572A27.8Very low30.9Very low101 Ų101156.1 Ų156.184%0.83580%0.796SS**  trans-48.7120.5150.800000111.3
1573K28.8Very low31.9Very low201 Ų201157.1 Ų157.187%0.87480%0.798SS**  trans-163.1141.8148.9-108164.1-173.9-176.50110K1571K1571-K1573 PolarHBondContact O-N 3.49Å
1574S29.3Very low33.1Very low108 Ų108159.2 Ų159.276%0.75580%0.801SS**SBendtrans78.8129.3-179.378.90000118.8
1575N31.3Very low34.5Very low140 Ų140160 Ų16075%0.74980%0.795SS**  trans85.847.2149.8-58.5-7.7000122.4
1576I36Very low36.7Very low177 Ų177162.1 Ų162.191%0.90880%0.798SS**  trans-131.585.3143.4-52-178.8000112.4
1577K35.3Very low39.8Very low153 Ų153159.1 Ų159.167%0.66578%0.782SS**  trans-148.9124.8160-114174.2176.2174.30104.8
1578Y30.5Very low42.6Very low199 Ų199155.9 Ų155.978%0.7876%0.755SS**  cis-139.4141.123.5-84.8-91.7000114.6Y1580Y1578-Y1580 PolarHBondContact O-N 2.87Å
1579S34.1Very low45.8Very low108 Ų108154.2 Ų154.276%0.75574%0.742SS**  trans-89.697.6170.6-174.80000112
1580Y34.5Very low49Very low224 Ų224147 Ų14788%0.87871%0.705SS**  trans-128.342.1169.2-141.2-90.4000114.4Y1578Y1578-Y1580 PolarHBondContact O-N 2.87Å
1581N41Very low52Low137 Ų137145.2 Ų145.273%0.73370%0.702SS**  trans-11520.6174.1-100.1-53.6000114.4K1583N1581-K1583 VanDerWaalsContact C-N 3.33Å; N1581-K1583 PolarHBondContact O-N 3.3Å
1582K42.1Very low55Low203 Ų203141.1 Ų141.188%0.88369%0.688SS**THydrogen-bonded Turntrans-85.357.5-175.7-153.9170.3-175.3175.20114.3
1583K49Very low58.2Low189 Ų189138.3 Ų138.382%0.82266%0.662SS**THydrogen-bonded Turntrans-132.725.9160.7-124.2162-167155.80114.6N1581 Q1585N1581-K1583 VanDerWaalsContact C-N 3.33Å; N1581-K1583 PolarHBondContact O-N 3.3Å; K1583-Q1585 VanDerWaalsContact C-N 3.27Å; K1583-Q1585 PolarHBondContact O-N 2.84Å
1584F50.4Low61.2Low184 Ų184135.8 Ų135.881%0.80765%0.653SS**  trans-68.385.1151.6-74.1-88.8000109.6R1586F1584-R1586 PolarHBondContact O-N 2.77Å
1585Q58.8Low64.3Low160 Ų160136.5 Ų136.575%0.74864%0.642SS**  trans-60.9108.2156.1-80.8-177-24.900107.3K1583 L1587K1583-Q1585 VanDerWaalsContact C-N 3.27Å; K1583-Q1585 PolarHBondContact O-N 2.84Å; Q1585-L1587 PolarHBondContact O-N 3.48Å; Q1585-L1587 VanDerWaalsContact O-N 3.08Å
1586R71.1Confident67.3Low229 Ų229133.9 Ų133.986%0.86463%0.631SS**  trans-47.2115.1177.8-165.4173.1-176.7174.10.9108.5F1584F1584-R1586 PolarHBondContact O-N 2.77Å
1587L88.5Confident70.2Confident81 Ų81127.4 Ų127.442%0.42460%0.597SS.*  trans-74137.5-178.3-68.4173.1000109.1Q1585 N1589 T1598Q1585-L1587 PolarHBondContact O-N 3.48Å; Q1585-L1587 VanDerWaalsContact O-N 3.08Å; L1587-N1589 PolarHBondContact O-N 3.36Å; L1587-N1589 PolarHBondContact O-OD1 2.81Å; L1587-T1598 HydrophobicContact CD2-CG2 4.23Å
1588F92.2Very high73Confident76 Ų76125.2 Ų125.233%0.33360%0.596SS.*EExtended strand (participates in β ladder)trans-86.7107.3-178.3-64.3-85.2000108.5F1597 K1599 N1600 L1603F1588-F1597 HydrophobicContact CB-CB 4.41Å; F1588-F1597 PolarHBondContact N-O 3.27Å; F1588-F1597 WeakPolarHBondContact O-CB 3.49Å; F1588-F1597 WeakPolarHBondContact O-CD2 3.26Å; F1588-F1597 PolarHBondContact O-N 3.01Å; F1588-K1599 VanDerWaalsContact CD2-C 3.45Å; F1588-N1600 HydrophobicContact CD1-CB 3.59Å; F1588-N1600 HydrophobicContact CD2-CB 4.27Å; F1588-N1600 HydrophobicContact CE1-CB 3.5Å; F1588-N1600 VanDerWaalsContact CE1-CB 3.5Å; F1588-N1600 HydrophobicContact CE2-CB 4.17Å; F1588-N1600 HydrophobicContact CG-CB 4Å; F1588-N1600 HydrophobicContact CZ-CB 3.8Å; F1588-L1603 HydrophobicContact CB-CB 3.85Å; F1588-L1603 HydrophobicContact CB-CD2 3.75Å; F1588-L1603 HydrophobicContact CB-CG 4.4Å
1589N94.7Very high76Confident89 Ų89122 Ų12248%0.47659%0.587SS.*EExtended strand (participates in β ladder)trans-102.1132-173.5-61.8-12.7000110.2L1587 T1591 T1596L1587-N1589 PolarHBondContact O-N 3.36Å; L1587-N1589 PolarHBondContact O-OD1 2.81Å; N1589-T1591 PolarHBondContact O-N 2.85Å; N1589-T1596 WeakPolarHBondContact OD1-CB 3.47Å; N1589-T1596 WeakPolarHBondContact OD1-CG2 3.15Å
1590C95.1Very high79Confident1 Ų1120.5 Ų120.51%0.00757%0.57CS.*  trans-74.4122.6175.2-1780000110.9I1592 C1593 H1594 K1595 F1597 L1603 H1610C1590-I1592 VanDerWaalsContact C-N 3.25Å; C1590-I1592 PolarHBondContact O-N 2.84Å; C1590-C1593 PolarHBondContact O-N 3.16Å; C1590-H1594 WeakPolarHBondContact O-CA 3.21Å; C1590-H1594 PolarHBondContact O-N 2.98Å; C1590-K1595 PolarHBondContact N-O 2.9Å; C1590-F1597 HydrophobicContact CB-CE2 4.28Å; C1590-L1603 VanDerWaalsContact CA-CD1 3.44Å; C1590-L1603 HydrophobicContact CB-CD1 3.48Å; C1590-L1603 VanDerWaalsContact CB-CD1 3.48Å; C1590-H1610 PolarHBondContact SG-CD2 3.45Å; C1590-H1610 PolarHBondContact SG-NE2 3.09Å
1591T92.8Very high81.8Confident107 Ų107113.6 Ų113.666%0.65655%0.554SS**THydrogen-bonded Turntrans-59.3-34179.251.90000113.1N1589 H1594N1589-T1591 PolarHBondContact O-N 2.85Å; T1591-H1594 PolarHBondContact O-CE1 3.46Å
1592I92.2Very high84.4Confident97 Ų97108.4 Ų108.450%0.49753%0.529SS..THydrogen-bonded Turntrans-85.3-23.1-172.3-62.6169.5000113.7C1590 H1610C1590-I1592 VanDerWaalsContact C-N 3.25Å; C1590-I1592 PolarHBondContact O-N 2.84Å; I1592-H1610 HydrophobicContact CB-CB 4.4Å; I1592-H1610 HydrophobicContact CD1-CB 3.56Å; I1592-H1610 HydrophobicContact CG2-CB 4.08Å
1593C94.9Very high87Confident42 Ų4299.4 Ų99.428%0.28449%0.49SS..THydrogen-bonded Turntrans-143.812.2-179.676.90000115.4C1590 K1595 H1606 H1610C1590-C1593 PolarHBondContact O-N 3.16Å; C1593-K1595 PolarHBondContact O-N 3.47Å; C1593-H1606 PolarHBondContact SG-NE2 3.3Å; C1593-H1610 VanDerWaalsContact SG-CE1 3.54Å; C1593-H1610 PolarHBondContact SG-NE2 3.34Å; C1593-H1610 VanDerWaalsContact SG-NE2 3.39Å
1594H92.1Very high89.1Confident148 Ų14894 Ų9469%0.68547%0.47SS*.  trans52.420175-44.4-64.7000115.4C1590 T1591C1590-H1594 WeakPolarHBondContact O-CA 3.21Å; C1590-H1594 PolarHBondContact O-N 2.98Å; T1591-H1594 PolarHBondContact O-CE1 3.46Å
1595K94.8Very high91.3Very high122 Ų12290.2 Ų90.253%0.5345%0.45SS..  trans-71.5130.9172.2-74.3177.5-173.1165.50109.8C1590 C1593 F1597C1590-K1595 PolarHBondContact N-O 2.9Å; C1593-K1595 PolarHBondContact O-N 3.47Å; K1595-F1597 HydrophobicContact CB-CE2 3.66Å; K1595-F1597 HydrophobicContact CB-CZ 3.87Å; K1595-F1597 VanDerWaalsContact O-CD2 3.3Å; K1595-F1597 WeakPolarHBondContact O-CD2 3.48Å; K1595-F1597 VanDerWaalsContact O-CE2 3.22Å; K1595-F1597 WeakPolarHBondContact O-CE2 3.24Å
1596T94.2Very high93Very high85 Ų8583.6 Ų83.652%0.52142%0.419SS..EExtended strand (participates in β ladder)trans-96.5136.7-177.671.70000110.8N1589N1589-T1596 WeakPolarHBondContact OD1-CB 3.47Å; N1589-T1596 WeakPolarHBondContact OD1-CG2 3.15Å
1597F95.5Very high94.1Very high42 Ų4274.8 Ų74.818%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-127.4139.7-176.9-61.7-88000110.4F1588 C1590 K1595 K1599 L1603 H1606F1588-F1597 HydrophobicContact CB-CB 4.41Å; F1588-F1597 PolarHBondContact N-O 3.27Å; F1588-F1597 WeakPolarHBondContact O-CB 3.49Å; F1588-F1597 WeakPolarHBondContact O-CD2 3.26Å; F1588-F1597 PolarHBondContact O-N 3.01Å; C1590-F1597 HydrophobicContact CB-CE2 4.28Å; K1595-F1597 HydrophobicContact CB-CE2 3.66Å; K1595-F1597 HydrophobicContact CB-CZ 3.87Å; K1595-F1597 VanDerWaalsContact O-CD2 3.3Å; K1595-F1597 WeakPolarHBondContact O-CD2 3.48Å; K1595-F1597 VanDerWaalsContact O-CE2 3.22Å; K1595-F1597 WeakPolarHBondContact O-CE2 3.24Å; F1597-K1599 PolarHBondContact O-N 2.74Å; F1597-L1603 HydrophobicContact CB-CB 4.21Å; F1597-L1603 HydrophobicContact CD2-CB 3.97Å; F1597-L1603 HydrophobicContact CD2-CD1 3.7Å; F1597-L1603 HydrophobicContact CD2-CG 4.47Å; F1597-L1603 HydrophobicContact CE2-CD1 3.93Å; F1597-L1603 HydrophobicContact CG-CB 4.25Å; F1597-H1606 HydrophobicContact CE1-CB 3.92Å; F1597-H1606 HydrophobicContact CE2-CB 4.01Å; F1597-H1606 AromaticContact CE2-CD2 3.3Å; F1597-H1606 WeakPolarHBondContact CE2-CD2 3.25Å; F1597-H1606 AromaticContact CE2-CG 3.71Å; F1597-H1606 HydrophobicContact CZ-CB 3.49Å; F1597-H1606 VanDerWaalsContact CZ-CB 3.49Å; F1597-H1606 AromaticContact CZ-CD2 3.32Å; F1597-H1606 WeakPolarHBondContact CZ-CD2 3.37Å; F1597-H1606 AromaticContact CZ-CG 3.25Å; F1597-H1606 AromaticContact CZ-ND1 3.91Å; F1597-H1606 AromaticContact CZ-NE2 3.98Å
1598T94.7Very high94.4Very high106 Ų10674.4 Ų74.465%0.6538%0.38SS*.SBendtrans-79.7-0.1-178.461.80000113.9L1587L1587-T1598 HydrophobicContact CD2-CG2 4.23Å
1599K94.5Very high94.4Very high133 Ų13375.8 Ų75.858%0.57839%0.39SS*.SBendtrans-151.6136-179.4-65.2-168.6177.2-166.50109.7F1588 F1597 S1601 S1602 L1603F1588-K1599 VanDerWaalsContact CD2-C 3.45Å; F1597-K1599 PolarHBondContact O-N 2.74Å; K1599-S1601 VanDerWaalsContact C-N 3.29Å; K1599-S1601 PolarHBondContact O-N 2.92Å; K1599-S1602 WeakPolarHBondContact O-CB 3.24Å; K1599-S1602 PolarHBondContact O-N 2.89Å; K1599-L1603 PolarHBondContact O-N 3.13Å
1600N95.6Very high94.2Very high75 Ų7574.1 Ų74.140%0.40138%0.379SS..Hα-helixtrans-56-43.3178.6-160.99.2000112.4F1588 S1602 L1603 I1604F1588-N1600 HydrophobicContact CD1-CB 3.59Å; F1588-N1600 HydrophobicContact CD2-CB 4.27Å; F1588-N1600 HydrophobicContact CE1-CB 3.5Å; F1588-N1600 VanDerWaalsContact CE1-CB 3.5Å; F1588-N1600 HydrophobicContact CE2-CB 4.17Å; F1588-N1600 HydrophobicContact CG-CB 4Å; F1588-N1600 HydrophobicContact CZ-CB 3.8Å; N1600-S1602 PolarHBondContact O-N 3.46Å; N1600-L1603 CarbonylContact O-C 3.38Å; N1600-L1603 WeakPolarHBondContact O-CA 3.43Å; N1600-L1603 WeakPolarHBondContact O-CB 3.34Å; N1600-L1603 PolarHBondContact O-N 3.18Å; N1600-I1604 WeakPolarHBondContact O-CG1 3.46Å; N1600-I1604 PolarHBondContact O-N 3.34Å
1601S94.3Very high94Very high79 Ų7978.7 Ų78.755%0.55240%0.404SS*.Hα-helixtrans-59.9-21.5176.3600000114.6K1599 R1605K1599-S1601 VanDerWaalsContact C-N 3.29Å; K1599-S1601 PolarHBondContact O-N 2.92Å; S1601-R1605 WeakPolarHBondContact O-CB 3.49Å; S1601-R1605 PolarHBondContact O-N 3.18Å
1602S95.8Very high93.8Very high29 Ų2983.8 Ų83.820%0.20341%0.411CS..Hα-helixtrans-84.1-31.3171.2-65.80000112.9K1599 N1600 H1606K1599-S1602 WeakPolarHBondContact O-CB 3.24Å; K1599-S1602 PolarHBondContact O-N 2.89Å; N1600-S1602 PolarHBondContact O-N 3.46Å; S1602-H1606 WeakPolarHBondContact O-CB 3.42Å; S1602-H1606 PolarHBondContact O-N 2.79Å
1603L95.6Very high93.8Very high13 Ų1383.4 Ų83.47%0.06841%0.409CS..Hα-helixtrans-65.9-56.6170.5172.460.8000110.9F1588 C1590 F1597 K1599 N1600 R1605 H1606 E1607F1588-L1603 HydrophobicContact CB-CB 3.85Å; F1588-L1603 HydrophobicContact CB-CD2 3.75Å; F1588-L1603 HydrophobicContact CB-CG 4.4Å; C1590-L1603 VanDerWaalsContact CA-CD1 3.44Å; C1590-L1603 HydrophobicContact CB-CD1 3.48Å; C1590-L1603 VanDerWaalsContact CB-CD1 3.48Å; F1597-L1603 HydrophobicContact CB-CB 4.21Å; F1597-L1603 HydrophobicContact CD2-CB 3.97Å; F1597-L1603 HydrophobicContact CD2-CD1 3.7Å; F1597-L1603 HydrophobicContact CD2-CG 4.47Å; F1597-L1603 HydrophobicContact CE2-CD1 3.93Å; F1597-L1603 HydrophobicContact CG-CB 4.25Å; K1599-L1603 PolarHBondContact O-N 3.13Å; N1600-L1603 CarbonylContact O-C 3.38Å; N1600-L1603 WeakPolarHBondContact O-CA 3.43Å; N1600-L1603 WeakPolarHBondContact O-CB 3.34Å; N1600-L1603 PolarHBondContact O-N 3.18Å; L1603-R1605 PolarHBondContact O-N 3.47Å; L1603-R1605 VanDerWaalsContact O-N 3.16Å; L1603-H1606 CarbonylContact O-C 3.47Å; L1603-H1606 VanDerWaalsContact O-CA 3.3Å; L1603-H1606 WeakPolarHBondContact O-CA 3.4Å; L1603-H1606 VanDerWaalsContact O-CB 3.27Å; L1603-H1606 WeakPolarHBondContact O-CB 3.34Å; L1603-H1606 PolarHBondContact O-N 3.47Å; L1603-E1607 HydrophobicContact CD1-CG 3.83Å; L1603-E1607 WeakPolarHBondContact CD1-OE1 3.46Å; L1603-E1607 HydrophobicContact CG-CG 4.26Å; L1603-E1607 PolarHBondContact O-N 2.87Å
1604I94.4Very high93.7Very high76 Ų7686.4 Ų86.439%0.3942%0.417SS..Hα-helixtrans-52.7-43.6179.6-65.4164.9000111.1N1600 H1606 E1607 R1608N1600-I1604 WeakPolarHBondContact O-CG1 3.46Å; N1600-I1604 PolarHBondContact O-N 3.34Å; I1604-H1606 VanDerWaalsContact C-N 3.28Å; I1604-H1606 PolarHBondContact O-N 3.17Å; I1604-E1607 PolarHBondContact O-N 2.84Å; I1604-R1608 WeakPolarHBondContact O-CG 3.35Å; I1604-R1608 PolarHBondContact O-N 2.74Å
1605R95.1Very high93.8Very high104 Ų10482.4 Ų82.439%0.39241%0.405SS..Hα-helixtrans-67.8-26.6177.6-174.3175.469148.8-14.3113.5S1601 L1603 Q1627S1601-R1605 WeakPolarHBondContact O-CB 3.49Å; S1601-R1605 PolarHBondContact O-N 3.18Å; L1603-R1605 PolarHBondContact O-N 3.47Å; L1603-R1605 VanDerWaalsContact O-N 3.16Å; R1605-Q1627 HydrophobicContact CG-CG 3.88Å
1606H94.2Very high93.9Very high21 Ų2179.5 Ų79.510%0.09739%0.392CS..Hα-helixtrans-79.6-39.4172.7164.563.9000111.9C1593 F1597 S1602 L1603 I1604 R1608 I1609 H1610C1593-H1606 PolarHBondContact SG-NE2 3.3Å; F1597-H1606 HydrophobicContact CE1-CB 3.92Å; F1597-H1606 HydrophobicContact CE2-CB 4.01Å; F1597-H1606 AromaticContact CE2-CD2 3.3Å; F1597-H1606 WeakPolarHBondContact CE2-CD2 3.25Å; F1597-H1606 AromaticContact CE2-CG 3.71Å; F1597-H1606 HydrophobicContact CZ-CB 3.49Å; F1597-H1606 VanDerWaalsContact CZ-CB 3.49Å; F1597-H1606 AromaticContact CZ-CD2 3.32Å; F1597-H1606 WeakPolarHBondContact CZ-CD2 3.37Å; F1597-H1606 AromaticContact CZ-CG 3.25Å; F1597-H1606 AromaticContact CZ-ND1 3.91Å; F1597-H1606 AromaticContact CZ-NE2 3.98Å; S1602-H1606 WeakPolarHBondContact O-CB 3.42Å; S1602-H1606 PolarHBondContact O-N 2.79Å; L1603-H1606 CarbonylContact O-C 3.47Å; L1603-H1606 VanDerWaalsContact O-CA 3.3Å; L1603-H1606 WeakPolarHBondContact O-CA 3.4Å; L1603-H1606 VanDerWaalsContact O-CB 3.27Å; L1603-H1606 WeakPolarHBondContact O-CB 3.34Å; L1603-H1606 PolarHBondContact O-N 3.47Å; I1604-H1606 VanDerWaalsContact C-N 3.28Å; I1604-H1606 PolarHBondContact O-N 3.17Å; H1606-R1608 VanDerWaalsContact C-N 3.25Å; H1606-R1608 PolarHBondContact O-N 3.41Å; H1606-I1609 WeakPolarHBondContact O-CB 3.47Å; H1606-I1609 VanDerWaalsContact O-CG1 3.27Å; H1606-I1609 WeakPolarHBondContact O-CG1 3.15Å; H1606-I1609 PolarHBondContact O-N 3.05Å; H1606-H1610 AromaticContact CD2-NE2 3.87Å; H1606-H1610 AromaticContact CE1-CE1 3.85Å; H1606-H1610 AromaticContact CE1-NE2 3.42Å; H1606-H1610 PolarHBondContact CE1-NE2 3.44Å; H1606-H1610 AromaticContact NE2-CD2 3.95Å; H1606-H1610 AromaticContact NE2-CE1 3.82Å; H1606-H1610 AromaticContact NE2-NE2 3.02Å; H1606-H1610 PolarHBondContact NE2-NE2 2.74Å
1607E94.4Very high94Very high45 Ų4578.9 Ų78.921%0.2139%0.388CS..Hα-helixtrans-64.4-28.4-179.8-72.5169.6153.100113.3L1603 I1604 I1609 H1610 N1611L1603-E1607 HydrophobicContact CD1-CG 3.83Å; L1603-E1607 WeakPolarHBondContact CD1-OE1 3.46Å; L1603-E1607 HydrophobicContact CG-CG 4.26Å; L1603-E1607 PolarHBondContact O-N 2.87Å; I1604-E1607 PolarHBondContact O-N 2.84Å; E1607-I1609 PolarHBondContact O-N 3.08Å; E1607-H1610 PolarHBondContact O-N 3.15Å; E1607-N1611 PolarHBondContact O-N 3.44Å
1608R94.6Very high94.1Very high72 Ų7276.9 Ų76.927%0.27238%0.379SS..Hα-helixtrans-51.1-24166-70.7175.3-169.9-171.5-3114I1604 H1606 R1612 I1613 T1626I1604-R1608 WeakPolarHBondContact O-CG 3.35Å; I1604-R1608 PolarHBondContact O-N 2.74Å; H1606-R1608 VanDerWaalsContact C-N 3.25Å; H1606-R1608 PolarHBondContact O-N 3.41Å; R1608-R1612 CarbonylContact O-C 3.57Å; R1608-R1612 VanDerWaalsContact O-CA 3.31Å; R1608-R1612 WeakPolarHBondContact O-CA 3.43Å; R1608-R1612 PolarHBondContact O-N 3.46Å; R1608-R1612 VanDerWaalsContact O-N 3.15Å; R1608-I1613 PolarHBondContact O-N 3Å; R1608-I1613 VanDerWaalsContact O-N 3.12Å; R1608-T1626 WeakPolarHBondContact CD-O 3.18Å; R1608-T1626 PolarHBondContact NH1-O 3.18Å
1609I92.4Very high94Very high105 Ų10579.7 Ų79.754%0.53839%0.385SS..Hα-helixtrans-74.1-40.1175.5-56.6173.1000110.9H1606 E1607 R1612H1606-I1609 WeakPolarHBondContact O-CB 3.47Å; H1606-I1609 VanDerWaalsContact O-CG1 3.27Å; H1606-I1609 WeakPolarHBondContact O-CG1 3.15Å; H1606-I1609 PolarHBondContact O-N 3.05Å; E1607-I1609 PolarHBondContact O-N 3.08Å; I1609-R1612 PolarHBondContact O-N 3.01Å
1610H92Very high94Very high54 Ų5480.4 Ų80.425%0.2539%0.385CS..Hα-helixtrans-73.3-49.7-180-57.6-51.5000111.2C1590 I1592 C1593 H1606 E1607 R1612C1590-H1610 PolarHBondContact SG-CD2 3.45Å; C1590-H1610 PolarHBondContact SG-NE2 3.09Å; I1592-H1610 HydrophobicContact CB-CB 4.4Å; I1592-H1610 HydrophobicContact CD1-CB 3.56Å; I1592-H1610 HydrophobicContact CG2-CB 4.08Å; C1593-H1610 VanDerWaalsContact SG-CE1 3.54Å; C1593-H1610 PolarHBondContact SG-NE2 3.34Å; C1593-H1610 VanDerWaalsContact SG-NE2 3.39Å; H1606-H1610 AromaticContact CD2-NE2 3.87Å; H1606-H1610 AromaticContact CE1-CE1 3.85Å; H1606-H1610 AromaticContact CE1-NE2 3.42Å; H1606-H1610 PolarHBondContact CE1-NE2 3.44Å; H1606-H1610 AromaticContact NE2-CD2 3.95Å; H1606-H1610 AromaticContact NE2-CE1 3.82Å; H1606-H1610 AromaticContact NE2-NE2 3.02Å; H1606-H1610 PolarHBondContact NE2-NE2 2.74Å; E1607-H1610 PolarHBondContact O-N 3.15Å; H1610-R1612 PolarHBondContact O-N 3.01Å; H1610-R1612 VanDerWaalsContact O-N 3.12Å
1611N90.5Very high94Very high97 Ų9780 Ų8052%0.51939%0.387SS..SBendtrans-71.4-7.5178.1-56.27000111.6E1607 I1613E1607-N1611 PolarHBondContact O-N 3.44Å; N1611-I1613 HydrophobicContact CB-CD1 3.61Å; N1611-I1613 HydrophobicContact CB-CG1 3.69Å; N1611-I1613 PolarHBondContact O-N 3.27Å
1612R88.7Confident94Very high215 Ų21578.7 Ų78.781%0.81139%0.386SS*.  trans56.515.2-175-53.5-177.8-178.1-173.42114.5R1608 I1609 H1610 K1614R1608-R1612 CarbonylContact O-C 3.57Å; R1608-R1612 VanDerWaalsContact O-CA 3.31Å; R1608-R1612 WeakPolarHBondContact O-CA 3.43Å; R1608-R1612 PolarHBondContact O-N 3.46Å; R1608-R1612 VanDerWaalsContact O-N 3.15Å; I1609-R1612 PolarHBondContact O-N 3.01Å; H1610-R1612 PolarHBondContact O-N 3.01Å; H1610-R1612 VanDerWaalsContact O-N 3.12Å; R1612-K1614 PolarHBondContact O-N 3.13Å
1613I91Very high94Very high89 Ų8978.9 Ų78.946%0.45639%0.389SS..  trans-69.7123.2-177.8-59.8170.3000109.7R1608 N1611R1608-I1613 PolarHBondContact O-N 3Å; R1608-I1613 VanDerWaalsContact O-N 3.12Å; N1611-I1613 HydrophobicContact CB-CD1 3.61Å; N1611-I1613 HydrophobicContact CB-CG1 3.69Å; N1611-I1613 PolarHBondContact O-N 3.27Å
1614K94.1Very high94Very high104 Ų10480.2 Ų80.245%0.45240%0.4SS..  trans-123.481.3179.9-75166.7148-138.40108.8R1612 F1616 S1624 F1625 T1626R1612-K1614 PolarHBondContact O-N 3.13Å; K1614-F1616 VanDerWaalsContact C-N 3.25Å; K1614-F1616 PolarHBondContact O-N 3.32Å; K1614-S1624 WeakPolarHBondContact CD-O 3.4Å; K1614-S1624 WeakPolarHBondContact CD-OG 3.49Å; K1614-S1624 WeakPolarHBondContact CE-O 3.41Å; K1614-S1624 PolarHBondContact NZ-O 3.42Å; K1614-F1625 CarbonylContact C-O 3.27Å; K1614-F1625 VanDerWaalsContact CA-O 3.29Å; K1614-F1625 WeakPolarHBondContact CA-O 3.49Å; K1614-T1626 HydrophobicContact CG-CG2 3.76Å
1615P92.8Very high94.1Very high65 Ų6578.8 Ų78.842%0.42239%0.391SS..  trans-77.4-8-166.231.5-33.9000113.9F1625P1615-F1625 WeakPolarHBondContact CD-O 3.44Å
1616F96.7Very high94.1Very high61 Ų6175.5 Ų75.527%0.26838%0.383SS..EExtended strand (participates in β ladder)trans-106104.8-178.7-54.5-72.4000109.4K1614 S1624 F1625 S1628 L1631K1614-F1616 VanDerWaalsContact C-N 3.25Å; K1614-F1616 PolarHBondContact O-N 3.32Å; F1616-S1624 CarbonylContact O-C 3.59Å; F1616-S1624 WeakPolarHBondContact O-CA 3.37Å; F1616-F1625 HydrophobicContact CB-CB 4.37Å; F1616-F1625 PolarHBondContact N-O 3.11Å; F1616-F1625 PolarHBondContact O-N 3.4Å; F1616-S1628 VanDerWaalsContact CD2-N 3.25Å; F1616-L1631 HydrophobicContact CB-CB 3.88Å; F1616-L1631 HydrophobicContact CB-CD2 3.74Å; F1616-L1631 HydrophobicContact CB-CG 4.41Å
1617V96.5Very high94.2Very high72 Ų7276.3 Ų76.344%0.43639%0.386SS..EExtended strand (participates in β ladder)trans-101.5137.8-178.6-1720000109.9L1631V1617-L1631 WeakPolarHBondContact O-CD2 3.35Å
1618C97.3Very high94.2Very high0 Ų077.1 Ų77.10%040%0.397CS..  trans-82116.1175-178.20000111.1Y1620 C1621 G1622 A1623 F1625 L1631 H1634 H1638C1618-Y1620 VanDerWaalsContact C-N 3.28Å; C1618-Y1620 PolarHBondContact O-N 3.49Å; C1618-C1621 PolarHBondContact O-N 2.9Å; C1618-G1622 WeakPolarHBondContact O-CA 3.46Å; C1618-G1622 PolarHBondContact O-N 2.75Å; C1618-A1623 HydrophobicContact CB-CB 4.35Å; C1618-A1623 WeakPolarHBondContact CB-O 3.15Å; C1618-A1623 PolarHBondContact N-O 3.21Å; C1618-F1625 HydrophobicContact CB-CE2 4.31Å; C1618-L1631 VanDerWaalsContact CA-CD1 3.41Å; C1618-L1631 HydrophobicContact CB-CD1 3.49Å; C1618-L1631 VanDerWaalsContact CB-CD1 3.49Å; C1618-H1634 PolarHBondContact SG-CD2 2.94Å; C1618-H1634 PolarHBondContact SG-NE2 3.05Å; C1618-H1638 PolarHBondContact SG-CD2 3.23Å; C1618-H1638 PolarHBondContact SG-NE2 3.09Å; C1618-H1638 VanDerWaalsContact SG-NE2 3.35Å
1619H94.2Very high94.2Very high164 Ų16480.4 Ų80.476%0.75941%0.41SS*.THydrogen-bonded Turntrans-55.4-41.7179.5-57.593000112.4C1621 E1635H1619-C1621 VanDerWaalsContact C-N 3.33Å; H1619-C1621 PolarHBondContact O-N 3.17Å; H1619-E1635 IonicContact ND1-OE1 3.9Å
1620Y93.8Very high94.3Very high148 Ų14877 Ų7758%0.5840%0.396SS*.THydrogen-bonded Turntrans-68.2-18-179.4-59.8-74.4000116.4C1618 H1638 I1639C1618-Y1620 VanDerWaalsContact C-N 3.28Å; C1618-Y1620 PolarHBondContact O-N 3.49Å; Y1620-H1638 VanDerWaalsContact CB-CD2 3.49Å; Y1620-H1638 WeakPolarHBondContact CB-CD2 3.48Å; Y1620-H1638 HydrophobicContact CD1-CB 4.37Å; Y1620-H1638 HydrophobicContact CD2-CB 3.88Å; Y1620-H1638 AromaticContact CD2-CD2 3.84Å; Y1620-H1638 HydrophobicContact CE2-CB 4.49Å; Y1620-H1638 HydrophobicContact CG-CB 3.81Å; Y1620-H1638 AromaticContact CG-CD2 3.98Å; Y1620-H1638 AromaticContact CG-CG 3.92Å; Y1620-I1639 HydrophobicContact CE2-CG1 4.49Å
1621C95.8Very high94.5Very high67 Ų6775.2 Ų75.245%0.45339%0.388SS..THydrogen-bonded Turntrans-154.510.4-174.979.60000116.2C1618 H1619 A1623 H1634 H1638C1618-C1621 PolarHBondContact O-N 2.9Å; H1619-C1621 VanDerWaalsContact C-N 3.33Å; H1619-C1621 PolarHBondContact O-N 3.17Å; C1621-A1623 PolarHBondContact O-N 2.86Å; C1621-A1623 WeakPolarHBondContact SG-CB 3.23Å; C1621-H1634 PolarHBondContact SG-NE2 3.26Å; C1621-H1638 PolarHBondContact SG-NE2 2.88Å; C1621-H1638 VanDerWaalsContact SG-NE2 3.43Å
1622G94.9Very high94.7Very high52 Ų5274.1 Ų74.154%0.53639%0.385SS..  trans64.26.2-178.400000115.8C1618 S1624C1618-G1622 WeakPolarHBondContact O-CA 3.46Å; C1618-G1622 PolarHBondContact O-N 2.75Å; G1622-S1624 PolarHBondContact O-N 2.9Å
1623A96Very high95Very high32 Ų3264.8 Ų64.826%0.26435%0.353SS..  trans-71125.2-177.600000110.8C1618 C1621 F1625C1618-A1623 HydrophobicContact CB-CB 4.35Å; C1618-A1623 WeakPolarHBondContact CB-O 3.15Å; C1618-A1623 PolarHBondContact N-O 3.21Å; C1621-A1623 PolarHBondContact O-N 2.86Å; C1621-A1623 WeakPolarHBondContact SG-CB 3.23Å; A1623-F1625 HydrophobicContact CB-CE2 3.84Å; A1623-F1625 HydrophobicContact CB-CZ 3.99Å; A1623-F1625 WeakPolarHBondContact O-CD2 3.35Å; A1623-F1625 WeakPolarHBondContact O-CE2 3.2Å
1624S95.5Very high95.2Very high41 Ų4162.1 Ų62.129%0.28734%0.338SS..EExtended strand (participates in β ladder)trans-105.1137.7-175.258.90000113.7K1614 F1616 G1622K1614-S1624 WeakPolarHBondContact CD-O 3.4Å; K1614-S1624 WeakPolarHBondContact CD-OG 3.49Å; K1614-S1624 WeakPolarHBondContact CE-O 3.41Å; K1614-S1624 PolarHBondContact NZ-O 3.42Å; F1616-S1624 CarbonylContact O-C 3.59Å; F1616-S1624 WeakPolarHBondContact O-CA 3.37Å; G1622-S1624 PolarHBondContact O-N 2.9Å
1625F96.5Very high95.3Very high46 Ų4658.9 Ų58.920%0.20233%0.325CS..EExtended strand (participates in β ladder)trans-125.6150-172.2-59-86.6000111.7K1614 P1615 F1616 C1618 A1623 L1631 H1634K1614-F1625 CarbonylContact C-O 3.27Å; K1614-F1625 VanDerWaalsContact CA-O 3.29Å; K1614-F1625 WeakPolarHBondContact CA-O 3.49Å; P1615-F1625 WeakPolarHBondContact CD-O 3.44Å; F1616-F1625 HydrophobicContact CB-CB 4.37Å; F1616-F1625 PolarHBondContact N-O 3.11Å; F1616-F1625 PolarHBondContact O-N 3.4Å; C1618-F1625 HydrophobicContact CB-CE2 4.31Å; A1623-F1625 HydrophobicContact CB-CE2 3.84Å; A1623-F1625 HydrophobicContact CB-CZ 3.99Å; A1623-F1625 WeakPolarHBondContact O-CD2 3.35Å; A1623-F1625 WeakPolarHBondContact O-CE2 3.2Å; F1625-L1631 HydrophobicContact CB-CB 4.33Å; F1625-L1631 HydrophobicContact CD2-CB 3.86Å; F1625-L1631 HydrophobicContact CD2-CD1 3.85Å; F1625-L1631 HydrophobicContact CD2-CG 4.48Å; F1625-L1631 HydrophobicContact CE2-CD1 4.01Å; F1625-L1631 HydrophobicContact CG-CB 4.29Å; F1625-H1634 HydrophobicContact CE1-CB 4.09Å; F1625-H1634 HydrophobicContact CE2-CB 3.97Å; F1625-H1634 AromaticContact CE2-CD2 3.46Å; F1625-H1634 VanDerWaalsContact CE2-CD2 3.46Å; F1625-H1634 WeakPolarHBondContact CE2-CD2 3.36Å; F1625-H1634 AromaticContact CE2-CG 3.68Å; F1625-H1634 HydrophobicContact CZ-CB 3.53Å; F1625-H1634 AromaticContact CZ-CD2 3.51Å; F1625-H1634 AromaticContact CZ-CG 3.26Å; F1625-H1634 AromaticContact CZ-ND1 3.66Å; F1625-H1634 AromaticContact CZ-NE2 3.99Å
1626T95Very high95.5Very high36 Ų3657.1 Ų57.122%0.22131%0.312CS..SBendtrans-80.9-15.117954.40000113.7R1608 K1614R1608-T1626 WeakPolarHBondContact CD-O 3.18Å; R1608-T1626 PolarHBondContact NH1-O 3.18Å; K1614-T1626 HydrophobicContact CG-CG2 3.76Å
1627Q95.2Very high95.4Very high38 Ų3858.2 Ų58.218%0.17832%0.32CS..SBendtrans-143133.3-171-59.917949.100110.4R1605 Y1629 S1630 L1631R1605-Q1627 HydrophobicContact CG-CG 3.88Å; Q1627-Y1629 HydrophobicContact CB-CD1 4.22Å; Q1627-Y1629 HydrophobicContact CB-CE1 3.87Å; Q1627-Y1629 PolarHBondContact O-N 3.25Å; Q1627-Y1629 PolarHBondContact OE1-OH 3.07Å; Q1627-S1630 VanDerWaalsContact O-CB 3.29Å; Q1627-S1630 WeakPolarHBondContact O-CB 3.19Å; Q1627-S1630 PolarHBondContact O-N 2.86Å; Q1627-L1631 PolarHBondContact O-N 3.38Å
1628S95.4Very high95.2Very high62 Ų6258.4 Ų58.443%0.43432%0.316SS..Hα-helixtrans-58.3-45.3-173.6152.80000113.2F1616 S1630 L1631 T1632F1616-S1628 VanDerWaalsContact CD2-N 3.25Å; S1628-S1630 PolarHBondContact O-N 3.16Å; S1628-S1630 VanDerWaalsContact O-N 3.09Å; S1628-L1631 CarbonylContact O-C 3.6Å; S1628-L1631 WeakPolarHBondContact O-CA 3.45Å; S1628-L1631 VanDerWaalsContact O-CB 3.31Å; S1628-L1631 WeakPolarHBondContact O-CB 3.3Å; S1628-L1631 PolarHBondContact O-N 3.04Å; S1628-T1632 PolarHBondContact O-N 2.77Å; S1628-T1632 PolarHBondContact O-OG1 2.98Å
1629Y93.3Very high95Very high141 Ų14162.8 Ų62.855%0.55334%0.338SS*.Hα-helixtrans-61.8-24.5178.576.2-98.4000113.3Q1627 S1633Q1627-Y1629 HydrophobicContact CB-CD1 4.22Å; Q1627-Y1629 HydrophobicContact CB-CE1 3.87Å; Q1627-Y1629 PolarHBondContact O-N 3.25Å; Q1627-Y1629 PolarHBondContact OE1-OH 3.07Å; Y1629-S1633 WeakPolarHBondContact O-CB 3.47Å; Y1629-S1633 PolarHBondContact O-N 3.41Å
1630S95.3Very high94.9Very high34 Ų3456.6 Ų56.624%0.23832%0.319CS..Hα-helixtrans-74-33.8174.6-58.50000111.2Q1627 S1628 H1634Q1627-S1630 VanDerWaalsContact O-CB 3.29Å; Q1627-S1630 WeakPolarHBondContact O-CB 3.19Å; Q1627-S1630 PolarHBondContact O-N 2.86Å; S1628-S1630 PolarHBondContact O-N 3.16Å; S1628-S1630 VanDerWaalsContact O-N 3.09Å; S1630-H1634 VanDerWaalsContact O-CB 3.28Å; S1630-H1634 WeakPolarHBondContact O-CB 3.32Å; S1630-H1634 PolarHBondContact O-N 3.02Å
1631L96.3Very high94.9Very high16 Ų1654.7 Ų54.78%0.08432%0.315CS..Hα-helixtrans-66.4-55.6169.316961.3000110.3F1616 V1617 C1618 F1625 Q1627 S1628 S1633 H1634 E1635F1616-L1631 HydrophobicContact CB-CB 3.88Å; F1616-L1631 HydrophobicContact CB-CD2 3.74Å; F1616-L1631 HydrophobicContact CB-CG 4.41Å; V1617-L1631 WeakPolarHBondContact O-CD2 3.35Å; C1618-L1631 VanDerWaalsContact CA-CD1 3.41Å; C1618-L1631 HydrophobicContact CB-CD1 3.49Å; C1618-L1631 VanDerWaalsContact CB-CD1 3.49Å; F1625-L1631 HydrophobicContact CB-CB 4.33Å; F1625-L1631 HydrophobicContact CD2-CB 3.86Å; F1625-L1631 HydrophobicContact CD2-CD1 3.85Å; F1625-L1631 HydrophobicContact CD2-CG 4.48Å; F1625-L1631 HydrophobicContact CE2-CD1 4.01Å; F1625-L1631 HydrophobicContact CG-CB 4.29Å; Q1627-L1631 PolarHBondContact O-N 3.38Å; S1628-L1631 CarbonylContact O-C 3.6Å; S1628-L1631 WeakPolarHBondContact O-CA 3.45Å; S1628-L1631 VanDerWaalsContact O-CB 3.31Å; S1628-L1631 WeakPolarHBondContact O-CB 3.3Å; S1628-L1631 PolarHBondContact O-N 3.04Å; L1631-S1633 VanDerWaalsContact C-N 3.28Å; L1631-S1633 PolarHBondContact O-N 3.08Å; L1631-H1634 CarbonylContact O-C 3.52Å; L1631-H1634 VanDerWaalsContact O-CA 3.31Å; L1631-H1634 WeakPolarHBondContact O-CA 3.47Å; L1631-H1634 VanDerWaalsContact O-CB 3.3Å; L1631-H1634 WeakPolarHBondContact O-CB 3.46Å; L1631-H1634 PolarHBondContact O-N 3.44Å; L1631-E1635 HydrophobicContact CD1-CG 3.78Å; L1631-E1635 WeakPolarHBondContact CD1-OE1 3.48Å; L1631-E1635 HydrophobicContact CG-CG 4.27Å; L1631-E1635 PolarHBondContact O-N 3.05Å
1632T95.3Very high94.8Very high73 Ų7356.9 Ų56.945%0.44832%0.317SS..Hα-helixtrans-57.2-41.7-179-47.80000112.1S1628 H1634 E1635 L1636S1628-T1632 PolarHBondContact O-N 2.77Å; S1628-T1632 PolarHBondContact O-OG1 2.98Å; T1632-H1634 PolarHBondContact O-N 3.42Å; T1632-E1635 WeakPolarHBondContact CA-OE2 3.44Å; T1632-E1635 PolarHBondContact O-N 3.46Å; T1632-L1636 PolarHBondContact O-N 3.04Å
1633S94.8Very high94.7Very high20 Ų2058 Ų5814%0.1432%0.315CS..Hα-helixtrans-68.6-20.1175.2179.20000114.1Y1629 L1631 Q1655Y1629-S1633 WeakPolarHBondContact O-CB 3.47Å; Y1629-S1633 PolarHBondContact O-N 3.41Å; L1631-S1633 VanDerWaalsContact C-N 3.28Å; L1631-S1633 PolarHBondContact O-N 3.08Å; S1633-Q1655 WeakPolarHBondContact OG-CG 3.21Å; S1633-Q1655 PolarHBondContact OG-NE2 3.09Å
1634H95.4Very high94.7Very high32 Ų3261 Ų6115%0.14832%0.32CS..Hα-helixtrans-86.4-35.1173.4165.482.4000111.4C1618 C1621 F1625 S1630 L1631 T1632 L1636 I1637 H1638C1618-H1634 PolarHBondContact SG-CD2 2.94Å; C1618-H1634 PolarHBondContact SG-NE2 3.05Å; C1621-H1634 PolarHBondContact SG-NE2 3.26Å; F1625-H1634 HydrophobicContact CE1-CB 4.09Å; F1625-H1634 HydrophobicContact CE2-CB 3.97Å; F1625-H1634 AromaticContact CE2-CD2 3.46Å; F1625-H1634 VanDerWaalsContact CE2-CD2 3.46Å; F1625-H1634 WeakPolarHBondContact CE2-CD2 3.36Å; F1625-H1634 AromaticContact CE2-CG 3.68Å; F1625-H1634 HydrophobicContact CZ-CB 3.53Å; F1625-H1634 AromaticContact CZ-CD2 3.51Å; F1625-H1634 AromaticContact CZ-CG 3.26Å; F1625-H1634 AromaticContact CZ-ND1 3.66Å; F1625-H1634 AromaticContact CZ-NE2 3.99Å; S1630-H1634 VanDerWaalsContact O-CB 3.28Å; S1630-H1634 WeakPolarHBondContact O-CB 3.32Å; S1630-H1634 PolarHBondContact O-N 3.02Å; L1631-H1634 CarbonylContact O-C 3.52Å; L1631-H1634 VanDerWaalsContact O-CA 3.31Å; L1631-H1634 WeakPolarHBondContact O-CA 3.47Å; L1631-H1634 VanDerWaalsContact O-CB 3.3Å; L1631-H1634 WeakPolarHBondContact O-CB 3.46Å; L1631-H1634 PolarHBondContact O-N 3.44Å; T1632-H1634 PolarHBondContact O-N 3.42Å; H1634-L1636 VanDerWaalsContact C-N 3.26Å; H1634-L1636 PolarHBondContact O-N 3.17Å; H1634-I1637 WeakPolarHBondContact O-CA 3.44Å; H1634-I1637 WeakPolarHBondContact O-CB 3.38Å; H1634-I1637 VanDerWaalsContact O-CG1 3.29Å; H1634-I1637 WeakPolarHBondContact O-CG1 3.43Å; H1634-I1637 PolarHBondContact O-N 2.97Å; H1634-H1638 AromaticContact CD2-NE2 3.81Å; H1634-H1638 AromaticContact CE1-NE2 3.6Å; H1634-H1638 AromaticContact NE2-CD2 3.96Å; H1634-H1638 AromaticContact NE2-NE2 3.07Å; H1634-H1638 PolarHBondContact NE2-NE2 2.86Å
1635E95.6Very high94.7Very high37 Ų3764.9 Ų64.917%0.17333%0.332CS..Hα-helixtrans-60.8-35.4175.1-72.7166.214900111.9H1619 L1631 T1632 I1637 H1638 I1639H1619-E1635 IonicContact ND1-OE1 3.9Å; L1631-E1635 HydrophobicContact CD1-CG 3.78Å; L1631-E1635 WeakPolarHBondContact CD1-OE1 3.48Å; L1631-E1635 HydrophobicContact CG-CG 4.27Å; L1631-E1635 PolarHBondContact O-N 3.05Å; T1632-E1635 WeakPolarHBondContact CA-OE2 3.44Å; T1632-E1635 PolarHBondContact O-N 3.46Å; E1635-I1637 PolarHBondContact O-N 3.28Å; E1635-H1638 PolarHBondContact O-N 2.91Å; E1635-I1639 PolarHBondContact O-N 3.32Å
1636L95.7Very high94.7Very high27 Ų2762.8 Ų62.814%0.14132%0.322CS..Hα-helixtrans-57.3-12168.2-66.3175.4000114.7T1632 H1634 G1640 E1641 P1643 R1654T1632-L1636 PolarHBondContact O-N 3.04Å; H1634-L1636 VanDerWaalsContact C-N 3.26Å; H1634-L1636 PolarHBondContact O-N 3.17Å; L1636-G1640 CarbonylContact O-C 3.16Å; L1636-G1640 PolarHBondContact O-N 3.02Å; L1636-E1641 HydrophobicContact CD2-CB 3.91Å; L1636-P1643 HydrophobicContact CD1-CG 4.07Å; L1636-R1654 HydrophobicContact CB-CB 4.45Å; L1636-R1654 HydrophobicContact CB-CG 4.35Å; L1636-R1654 HydrophobicContact CD1-CB 4.43Å; L1636-R1654 WeakPolarHBondContact CD1-O 3.47Å; L1636-R1654 WeakPolarHBondContact O-CD 3.47Å; L1636-R1654 PolarHBondContact O-NE 3.27Å
1637I94.8Very high94.6Very high85 Ų8566.4 Ų66.444%0.43635%0.349SS..Hα-helixtrans-77.3-39.7171.7-56.6175000110.6H1634 E1635 G1640H1634-I1637 WeakPolarHBondContact O-CA 3.44Å; H1634-I1637 WeakPolarHBondContact O-CB 3.38Å; H1634-I1637 VanDerWaalsContact O-CG1 3.29Å; H1634-I1637 WeakPolarHBondContact O-CG1 3.43Å; H1634-I1637 PolarHBondContact O-N 2.97Å; E1635-I1637 PolarHBondContact O-N 3.28Å; I1637-G1640 PolarHBondContact O-N 3.1Å
1638H93.6Very high94.5Very high76 Ų7670.6 Ų70.635%0.35237%0.369SS..Hα-helixtrans-75.7-44.6-178.7-57.4-62.1000111.8C1618 Y1620 C1621 H1634 E1635 G1640C1618-H1638 PolarHBondContact SG-CD2 3.23Å; C1618-H1638 PolarHBondContact SG-NE2 3.09Å; C1618-H1638 VanDerWaalsContact SG-NE2 3.35Å; Y1620-H1638 VanDerWaalsContact CB-CD2 3.49Å; Y1620-H1638 WeakPolarHBondContact CB-CD2 3.48Å; Y1620-H1638 HydrophobicContact CD1-CB 4.37Å; Y1620-H1638 HydrophobicContact CD2-CB 3.88Å; Y1620-H1638 AromaticContact CD2-CD2 3.84Å; Y1620-H1638 HydrophobicContact CE2-CB 4.49Å; Y1620-H1638 HydrophobicContact CG-CB 3.81Å; Y1620-H1638 AromaticContact CG-CD2 3.98Å; Y1620-H1638 AromaticContact CG-CG 3.92Å; C1621-H1638 PolarHBondContact SG-NE2 2.88Å; C1621-H1638 VanDerWaalsContact SG-NE2 3.43Å; H1634-H1638 AromaticContact CD2-NE2 3.81Å; H1634-H1638 AromaticContact CE1-NE2 3.6Å; H1634-H1638 AromaticContact NE2-CD2 3.96Å; H1634-H1638 AromaticContact NE2-NE2 3.07Å; H1634-H1638 PolarHBondContact NE2-NE2 2.86Å; E1635-H1638 PolarHBondContact O-N 2.91Å; H1638-G1640 PolarHBondContact O-N 3.15Å
1639I92.7Very high94.4Very high91 Ų9170.4 Ų70.447%0.46737%0.367SS..SBendtrans-69.7-10.9173.7-44.6173.5000110.9Y1620 E1635 E1641Y1620-I1639 HydrophobicContact CE2-CG1 4.49Å; E1635-I1639 PolarHBondContact O-N 3.32Å; I1639-E1641 HydrophobicContact CG2-CG 3.97Å; I1639-E1641 PolarHBondContact O-N 3.43Å
1640G92.5Very high94.3Very high35 Ų3569 Ų6936%0.36137%0.369SS..  trans76.3-25.8-179.400000114.8L1636 I1637 H1638 R1654L1636-G1640 CarbonylContact O-C 3.16Å; L1636-G1640 PolarHBondContact O-N 3.02Å; I1637-G1640 PolarHBondContact O-N 3.1Å; H1638-G1640 PolarHBondContact O-N 3.15Å; G1640-R1654 PolarHBondContact O-NH2 2.88Å
1641E93Very high94.2Very high108 Ų10869 Ų6951%0.50537%0.371SS..  trans-45.9147.2-176.9-80.4-173-160.200116L1636 I1639 R1654L1636-E1641 HydrophobicContact CD2-CB 3.91Å; I1639-E1641 HydrophobicContact CG2-CG 3.97Å; I1639-E1641 PolarHBondContact O-N 3.43Å; E1641-R1654 WeakPolarHBondContact O-CG 3.08Å; E1641-R1654 PolarHBondContact O-NE 3.46Å
1642K94.6Very high94.2Very high112 Ų11270.5 Ų70.549%0.48738%0.383SS..  trans-139.272.3178.9-63.7170.1-172.5164.90110.2Y1644 S1652 F1653 R1654K1642-Y1644 PolarHBondContact O-N 3.02Å; K1642-S1652 WeakPolarHBondContact O-CB 3.3Å; K1642-F1653 CarbonylContact C-O 3.5Å; K1642-F1653 VanDerWaalsContact C-O 3.27Å; K1642-R1654 HydrophobicContact CG-CG 4.04Å
1643P93.1Very high94.3Very high76 Ų7669.3 Ų69.349%0.49437%0.371SS..  trans-65.6-12.2-167.923.2-34.2000115.6L1636L1636-P1643 HydrophobicContact CD1-CG 4.07Å
1644Y96.1Very high94.3Very high96 Ų9672 Ų7238%0.37638%0.378SS..EExtended strand (participates in β ladder)trans-101.879.3-178-55.4-81.8000111.3K1642 F1653 R1654 Q1655K1642-Y1644 PolarHBondContact O-N 3.02Å; Y1644-F1653 WeakPolarHBondContact CB-O 3.48Å; Y1644-F1653 WeakPolarHBondContact CD2-O 3.33Å; Y1644-F1653 PolarHBondContact N-O 2.71Å; Y1644-F1653 WeakPolarHBondContact O-CD2 3.13Å; Y1644-F1653 PolarHBondContact O-N 3.48Å; Y1644-R1654 WeakPolarHBondContact CE2-O 3.43Å; Y1644-Q1655 VanDerWaalsContact CD2-C 3.42Å
1645K95.2Very high94.3Very high122 Ų12273.6 Ų73.653%0.5339%0.386SS..EExtended strand (participates in β ladder)trans-73.1138.3175.7-169.2170.9179.9-173.50112.2N1650 S1652K1645-N1650 WeakPolarHBondContact CE-OD1 3.32Å; K1645-N1650 PolarHBondContact NZ-OD1 2.86Å; K1645-S1652 WeakPolarHBondContact CG-OG 3.14Å
1646C96.7Very high94.3Very high1 Ų173.9 Ų73.91%0.00739%0.392CS..  trans-81.5125.2168.1-175.90000110.4Q1648 N1650 A1651 F1653 L1659 H1662 L1663C1646-Q1648 PolarHBondContact O-N 2.99Å; C1646-Q1648 PolarHBondContact SG-N 3.13Å; C1646-Q1648 VanDerWaalsContact SG-N 3.43Å; C1646-N1650 WeakPolarHBondContact O-CA 3.41Å; C1646-N1650 PolarHBondContact O-N 3.26Å; C1646-N1650 VanDerWaalsContact O-N 3.13Å; C1646-A1651 HydrophobicContact CB-CB 4.38Å; C1646-A1651 VanDerWaalsContact CB-O 3.27Å; C1646-A1651 WeakPolarHBondContact CB-O 3.39Å; C1646-A1651 PolarHBondContact N-O 2.81Å; C1646-F1653 HydrophobicContact CB-CE2 4.4Å; C1646-L1659 HydrophobicContact CB-CD1 3.67Å; C1646-H1662 PolarHBondContact SG-NE2 2.85Å; C1646-L1663 VanDerWaalsContact SG-CD2 3.58Å
1647S93.1Very high94.2Very high112 Ų11276.2 Ų76.278%0.78341%0.41SS*.THydrogen-bonded Turntrans-72.5-8.9177.7550000114.6
1648Q92.5Very high94.3Very high126 Ų12674.2 Ų74.259%0.58940%0.4SS*.THydrogen-bonded Turntrans-113.3-9.4-174.7-65-169.2-0.600115C1646 H1667C1646-Q1648 PolarHBondContact O-N 2.99Å; C1646-Q1648 PolarHBondContact SG-N 3.13Å; C1646-Q1648 VanDerWaalsContact SG-N 3.43Å; Q1648-H1667 WeakPolarHBondContact CB-CE1 3.44Å; Q1648-H1667 WeakPolarHBondContact CB-ND1 3.3Å; Q1648-H1667 PolarHBondContact O-CE1 3.3Å; Q1648-H1667 PolarHBondContact OE1-ND1 3.13Å
1649C93.7Very high94.4Very high59 Ų5971.8 Ų71.840%0.39939%0.39SS..THydrogen-bonded Turntrans-149.519.2171.9690000113.8A1651 H1662 H1667C1649-A1651 PolarHBondContact O-N 2.92Å; C1649-A1651 VanDerWaalsContact SG-CB 3.53Å; C1649-H1662 PolarHBondContact SG-CE1 3.05Å; C1649-H1662 PolarHBondContact SG-NE2 3.2Å; C1649-H1667 PolarHBondContact SG-NE2 2.95Å
1650N89.6Confident94.5Very high111 Ų11174.3 Ų74.359%0.59440%0.397SS*.  trans57-0.3-176.6-73-38.6000116.8K1645 C1646 S1652K1645-N1650 WeakPolarHBondContact CE-OD1 3.32Å; K1645-N1650 PolarHBondContact NZ-OD1 2.86Å; C1646-N1650 WeakPolarHBondContact O-CA 3.41Å; C1646-N1650 PolarHBondContact O-N 3.26Å; C1646-N1650 VanDerWaalsContact O-N 3.13Å; N1650-S1652 PolarHBondContact O-N 3.13Å
1651A95Very high94.7Very high33 Ų3379.8 Ų79.827%0.27341%0.407SS..  trans-64.7118.8-179.100000112.2C1646 C1649 F1653C1646-A1651 HydrophobicContact CB-CB 4.38Å; C1646-A1651 VanDerWaalsContact CB-O 3.27Å; C1646-A1651 WeakPolarHBondContact CB-O 3.39Å; C1646-A1651 PolarHBondContact N-O 2.81Å; C1649-A1651 PolarHBondContact O-N 2.92Å; C1649-A1651 VanDerWaalsContact SG-CB 3.53Å; A1651-F1653 HydrophobicContact CB-CE2 3.91Å; A1651-F1653 HydrophobicContact CB-CZ 3.93Å; A1651-F1653 WeakPolarHBondContact O-CD2 3.46Å; A1651-F1653 WeakPolarHBondContact O-CE2 3.31Å
1652S95.7Very high94.7Very high48 Ų4875.9 Ų75.934%0.33639%0.389SS..EExtended strand (participates in β ladder)trans-98.3138.9179.8-61.70000113.1K1642 K1645 N1650K1642-S1652 WeakPolarHBondContact O-CB 3.3Å; K1645-S1652 WeakPolarHBondContact CG-OG 3.14Å; N1650-S1652 PolarHBondContact O-N 3.13Å
1653F96.4Very high94.7Very high48 Ų4873 Ų7321%0.21138%0.378CS..EExtended strand (participates in β ladder)trans-123.2152.4-177-57.2-86.2000111.7K1642 Y1644 C1646 A1651 Q1655 N1658 L1659 H1662K1642-F1653 CarbonylContact C-O 3.5Å; K1642-F1653 VanDerWaalsContact C-O 3.27Å; Y1644-F1653 WeakPolarHBondContact CB-O 3.48Å; Y1644-F1653 WeakPolarHBondContact CD2-O 3.33Å; Y1644-F1653 PolarHBondContact N-O 2.71Å; Y1644-F1653 WeakPolarHBondContact O-CD2 3.13Å; Y1644-F1653 PolarHBondContact O-N 3.48Å; C1646-F1653 HydrophobicContact CB-CE2 4.4Å; A1651-F1653 HydrophobicContact CB-CE2 3.91Å; A1651-F1653 HydrophobicContact CB-CZ 3.93Å; A1651-F1653 WeakPolarHBondContact O-CD2 3.46Å; A1651-F1653 WeakPolarHBondContact O-CE2 3.31Å; F1653-Q1655 VanDerWaalsContact C-N 3.34Å; F1653-N1658 HydrophobicContact CB-CB 4.22Å; F1653-N1658 HydrophobicContact CD1-CB 3.93Å; F1653-N1658 HydrophobicContact CG-CB 4.27Å; F1653-L1659 HydrophobicContact CB-CB 4.44Å; F1653-L1659 HydrophobicContact CD2-CB 3.82Å; F1653-L1659 HydrophobicContact CD2-CD1 3.9Å; F1653-L1659 HydrophobicContact CD2-CG 4.46Å; F1653-L1659 HydrophobicContact CE2-CD1 4Å; F1653-L1659 HydrophobicContact CG-CB 4.35Å; F1653-H1662 HydrophobicContact CE1-CB 4.08Å; F1653-H1662 HydrophobicContact CE2-CB 3.83Å; F1653-H1662 AromaticContact CE2-CD2 3.5Å; F1653-H1662 VanDerWaalsContact CE2-CD2 3.5Å; F1653-H1662 WeakPolarHBondContact CE2-CD2 3.47Å; F1653-H1662 AromaticContact CE2-CG 3.62Å; F1653-H1662 HydrophobicContact CZ-CB 3.43Å; F1653-H1662 VanDerWaalsContact CZ-CB 3.43Å; F1653-H1662 AromaticContact CZ-CD2 3.69Å; F1653-H1662 AromaticContact CZ-CG 3.32Å; F1653-H1662 AromaticContact CZ-ND1 3.78Å
1654R94.9Very high94.8Very high76 Ų7674.2 Ų74.229%0.28738%0.376SS..SBendtrans-80.4-11.6173.5-62.3-168.8170.3116.8-0.2114.4L1636 G1640 E1641 K1642 Y1644L1636-R1654 HydrophobicContact CB-CB 4.45Å; L1636-R1654 HydrophobicContact CB-CG 4.35Å; L1636-R1654 HydrophobicContact CD1-CB 4.43Å; L1636-R1654 WeakPolarHBondContact CD1-O 3.47Å; L1636-R1654 WeakPolarHBondContact O-CD 3.47Å; L1636-R1654 PolarHBondContact O-NE 3.27Å; G1640-R1654 PolarHBondContact O-NH2 2.88Å; E1641-R1654 WeakPolarHBondContact O-CG 3.08Å; E1641-R1654 PolarHBondContact O-NE 3.46Å; K1642-R1654 HydrophobicContact CG-CG 4.04Å; Y1644-R1654 WeakPolarHBondContact CE2-O 3.43Å
1655Q95.2Very high94.7Very high66 Ų6675.4 Ų75.431%0.30839%0.388SS..SBendtrans-139.3135.1-178-65.4179.2-16.700111.6S1633 Y1644 F1653 C1657 N1658 L1659S1633-Q1655 WeakPolarHBondContact OG-CG 3.21Å; S1633-Q1655 PolarHBondContact OG-NE2 3.09Å; Y1644-Q1655 VanDerWaalsContact CD2-C 3.42Å; F1653-Q1655 VanDerWaalsContact C-N 3.34Å; Q1655-C1657 PolarHBondContact O-N 2.99Å; Q1655-C1657 PolarHBondContact OE1-SG 3.18Å; Q1655-C1657 VanDerWaalsContact OE1-SG 3.36Å; Q1655-N1658 HydrophobicContact CB-CB 4.49Å; Q1655-N1658 PolarHBondContact O-N 3.22Å; Q1655-N1658 PolarHBondContact OE1-ND2 3.1Å; Q1655-N1658 VanDerWaalsContact OE1-ND2 3.14Å; Q1655-L1659 PolarHBondContact O-N 2.92Å
1656S95.4Very high94.5Very high43 Ų4373.3 Ų73.330%0.30139%0.385SS..Hα-helixtrans-55.1-36175.3-173.50000113.3N1658 L1659 K1660S1656-N1658 VanDerWaalsContact C-N 3.31Å; S1656-N1658 PolarHBondContact O-N 3.3Å; S1656-L1659 PolarHBondContact O-N 2.99Å; S1656-K1660 WeakPolarHBondContact O-CG 3.13Å; S1656-K1660 PolarHBondContact O-N 3.39Å
1657C94.6Very high94.2Very high76 Ų7675.5 Ų75.551%0.51440%0.395SS..Hα-helixtrans-66.7-31178.260.10000112.9Q1655 R1661Q1655-C1657 PolarHBondContact O-N 2.99Å; Q1655-C1657 PolarHBondContact OE1-SG 3.18Å; Q1655-C1657 VanDerWaalsContact OE1-SG 3.36Å; C1657-R1661 VanDerWaalsContact O-CB 3.31Å; C1657-R1661 WeakPolarHBondContact O-CB 3.32Å; C1657-R1661 PolarHBondContact O-N 3.47Å
1658N96Very high93.6Very high43 Ų4375.9 Ų75.923%0.2338%0.383CS..Hα-helixtrans-73.8-40.9174.2-75.5-44.1000111.3F1653 Q1655 S1656 R1661 H1662F1653-N1658 HydrophobicContact CB-CB 4.22Å; F1653-N1658 HydrophobicContact CD1-CB 3.93Å; F1653-N1658 HydrophobicContact CG-CB 4.27Å; Q1655-N1658 HydrophobicContact CB-CB 4.49Å; Q1655-N1658 PolarHBondContact O-N 3.22Å; Q1655-N1658 PolarHBondContact OE1-ND2 3.1Å; Q1655-N1658 VanDerWaalsContact OE1-ND2 3.14Å; S1656-N1658 VanDerWaalsContact C-N 3.31Å; S1656-N1658 PolarHBondContact O-N 3.3Å; N1658-R1661 PolarHBondContact O-N 3.16Å; N1658-R1661 PolarHBondContact OD1-NH2 3.13Å; N1658-H1662 VanDerWaalsContact O-CB 3.3Å; N1658-H1662 WeakPolarHBondContact O-CB 3.25Å; N1658-H1662 PolarHBondContact O-N 3.25Å
1659L96.2Very high92.2Very high25 Ų2576.4 Ų76.413%0.13139%0.39CS..Hα-helixtrans-58.1-48.4170173.860.3000111.4C1646 F1653 Q1655 S1656 R1661 H1662 L1663C1646-L1659 HydrophobicContact CB-CD1 3.67Å; F1653-L1659 HydrophobicContact CB-CB 4.44Å; F1653-L1659 HydrophobicContact CD2-CB 3.82Å; F1653-L1659 HydrophobicContact CD2-CD1 3.9Å; F1653-L1659 HydrophobicContact CD2-CG 4.46Å; F1653-L1659 HydrophobicContact CE2-CD1 4Å; F1653-L1659 HydrophobicContact CG-CB 4.35Å; Q1655-L1659 PolarHBondContact O-N 2.92Å; S1656-L1659 PolarHBondContact O-N 2.99Å; L1659-R1661 VanDerWaalsContact C-N 3.33Å; L1659-R1661 PolarHBondContact O-N 2.79Å; L1659-H1662 WeakPolarHBondContact O-CB 3.41Å; L1659-H1662 PolarHBondContact O-N 3.16Å; L1659-L1663 HydrophobicContact CD1-CD1 4.01Å; L1659-L1663 HydrophobicContact CD1-CG 3.98Å; L1659-L1663 HydrophobicContact CG-CD1 3.99Å; L1659-L1663 HydrophobicContact CG-CG 4.4Å; L1659-L1663 WeakPolarHBondContact O-CB 3.43Å; L1659-L1663 WeakPolarHBondContact O-CG 3.44Å; L1659-L1663 PolarHBondContact O-N 2.73Å
1660K95.6Very high90.3Very high144 Ų14479 Ų7963%0.62640%0.396SS*.Hα-helixtrans-60.3-40.4177-73.1178.6-177.1-177.80112.8S1656 K1664S1656-K1660 WeakPolarHBondContact O-CG 3.13Å; S1656-K1660 PolarHBondContact O-N 3.39Å; K1660-K1664 WeakPolarHBondContact O-CB 3.43Å; K1660-K1664 PolarHBondContact O-N 3.39Å
1661R95.3Very high88Confident151 Ų15178.7 Ų78.757%0.5740%0.402SS*.Hα-helixtrans-66-41.6175.7177.8169.662.4106.1-3.2111.5C1657 N1658 L1659 K1664 L1665C1657-R1661 VanDerWaalsContact O-CB 3.31Å; C1657-R1661 WeakPolarHBondContact O-CB 3.32Å; C1657-R1661 PolarHBondContact O-N 3.47Å; N1658-R1661 PolarHBondContact O-N 3.16Å; N1658-R1661 PolarHBondContact OD1-NH2 3.13Å; L1659-R1661 VanDerWaalsContact C-N 3.33Å; L1659-R1661 PolarHBondContact O-N 2.79Å; R1661-K1664 PolarHBondContact O-N 3.21Å; R1661-L1665 HydrophobicContact CG-CD1 3.69Å; R1661-L1665 HydrophobicContact CG-CG 4.37Å; R1661-L1665 WeakPolarHBondContact O-CB 3.42Å; R1661-L1665 VanDerWaalsContact O-CG 3.26Å; R1661-L1665 WeakPolarHBondContact O-CG 3.2Å; R1661-L1665 PolarHBondContact O-N 3.22Å
1662H94.8Very high85.5Confident26 Ų2683.6 Ų83.612%0.1242%0.422CS..Hα-helixtrans-63.6-50.417516174.8000111.6C1646 C1649 F1653 N1658 L1659 K1664 L1665 V1666 H1667C1646-H1662 PolarHBondContact SG-NE2 2.85Å; C1649-H1662 PolarHBondContact SG-CE1 3.05Å; C1649-H1662 PolarHBondContact SG-NE2 3.2Å; F1653-H1662 HydrophobicContact CE1-CB 4.08Å; F1653-H1662 HydrophobicContact CE2-CB 3.83Å; F1653-H1662 AromaticContact CE2-CD2 3.5Å; F1653-H1662 VanDerWaalsContact CE2-CD2 3.5Å; F1653-H1662 WeakPolarHBondContact CE2-CD2 3.47Å; F1653-H1662 AromaticContact CE2-CG 3.62Å; F1653-H1662 HydrophobicContact CZ-CB 3.43Å; F1653-H1662 VanDerWaalsContact CZ-CB 3.43Å; F1653-H1662 AromaticContact CZ-CD2 3.69Å; F1653-H1662 AromaticContact CZ-CG 3.32Å; F1653-H1662 AromaticContact CZ-ND1 3.78Å; N1658-H1662 VanDerWaalsContact O-CB 3.3Å; N1658-H1662 WeakPolarHBondContact O-CB 3.25Å; N1658-H1662 PolarHBondContact O-N 3.25Å; L1659-H1662 WeakPolarHBondContact O-CB 3.41Å; L1659-H1662 PolarHBondContact O-N 3.16Å; H1662-K1664 PolarHBondContact O-N 2.92Å; H1662-L1665 PolarHBondContact O-N 2.8Å; H1662-V1666 WeakPolarHBondContact ND1-CG2 3.4Å; H1662-V1666 WeakPolarHBondContact O-CB 3.42Å; H1662-V1666 PolarHBondContact O-N 3.14Å; H1662-H1667 AromaticContact CE1-CD2 3.76Å; H1662-H1667 AromaticContact CE1-NE2 3.52Å; H1662-H1667 AromaticContact NE2-CD2 3.34Å; H1662-H1667 PolarHBondContact NE2-CD2 3.01Å; H1662-H1667 VanDerWaalsContact NE2-CD2 3.34Å; H1662-H1667 AromaticContact NE2-NE2 3.21Å; H1662-H1667 PolarHBondContact NE2-NE2 3.4Å
1663L94.4Very high82.8Confident50 Ų5090 Ų9026%0.26245%0.451SS..Iπ-helixtrans-54.8-36.6173.3-71.9170.4000112C1646 L1659 H1667 K1668C1646-L1663 VanDerWaalsContact SG-CD2 3.58Å; L1659-L1663 HydrophobicContact CD1-CD1 4.01Å; L1659-L1663 HydrophobicContact CD1-CG 3.98Å; L1659-L1663 HydrophobicContact CG-CD1 3.99Å; L1659-L1663 HydrophobicContact CG-CG 4.4Å; L1659-L1663 WeakPolarHBondContact O-CB 3.43Å; L1659-L1663 WeakPolarHBondContact O-CG 3.44Å; L1659-L1663 PolarHBondContact O-N 2.73Å; L1663-H1667 HydrophobicContact CD2-CB 4.47Å; L1663-H1667 WeakPolarHBondContact O-CB 3.28Å; L1663-H1667 PolarHBondContact O-N 3.46Å; L1663-K1668 PolarHBondContact O-N 2.9Å
1664K94.5Very high82.2Confident102 Ų10292.2 Ų92.244%0.44346%0.464SS..Iπ-helixtrans-76.6-26.4176.9-171.7165.9-173.9178.50114.7K1660 R1661 H1662 K1668K1660-K1664 WeakPolarHBondContact O-CB 3.43Å; K1660-K1664 PolarHBondContact O-N 3.39Å; R1661-K1664 PolarHBondContact O-N 3.21Å; H1662-K1664 PolarHBondContact O-N 2.92Å; K1664-K1668 VanDerWaalsContact O-O 3.05Å
1665L93.1Very high81.5Confident122 Ų12293 Ų9364%0.63947%0.473SS*.Iπ-helixtrans-103.7-19.7-173.6-68.6176.8000114.4R1661 H1662R1661-L1665 HydrophobicContact CG-CD1 3.69Å; R1661-L1665 HydrophobicContact CG-CG 4.37Å; R1661-L1665 WeakPolarHBondContact O-CB 3.42Å; R1661-L1665 VanDerWaalsContact O-CG 3.26Å; R1661-L1665 WeakPolarHBondContact O-CG 3.2Å; R1661-L1665 PolarHBondContact O-N 3.22Å; H1662-L1665 PolarHBondContact O-N 2.8Å
1666V91.8Very high80.7Confident78 Ų7894.5 Ų94.547%0.47348%0.482SS..Iπ-helixtrans-114.4-32.6-174.8-178.10000112H1662H1662-V1666 WeakPolarHBondContact ND1-CG2 3.4Å; H1662-V1666 WeakPolarHBondContact O-CB 3.42Å; H1662-V1666 PolarHBondContact O-N 3.14Å
1667H90.5Very high79.9Confident46 Ų4697.5 Ų97.521%0.21349%0.493CS..Iπ-helixtrans-113.9-49.5-167.2-73.1-61.1000113Q1648 C1649 H1662 L1663 N1669Q1648-H1667 WeakPolarHBondContact CB-CE1 3.44Å; Q1648-H1667 WeakPolarHBondContact CB-ND1 3.3Å; Q1648-H1667 PolarHBondContact O-CE1 3.3Å; Q1648-H1667 PolarHBondContact OE1-ND1 3.13Å; C1649-H1667 PolarHBondContact SG-NE2 2.95Å; H1662-H1667 AromaticContact CE1-CD2 3.76Å; H1662-H1667 AromaticContact CE1-NE2 3.52Å; H1662-H1667 AromaticContact NE2-CD2 3.34Å; H1662-H1667 PolarHBondContact NE2-CD2 3.01Å; H1662-H1667 VanDerWaalsContact NE2-CD2 3.34Å; H1662-H1667 AromaticContact NE2-NE2 3.21Å; H1662-H1667 PolarHBondContact NE2-NE2 3.4Å; L1663-H1667 HydrophobicContact CD2-CB 4.47Å; L1663-H1667 WeakPolarHBondContact O-CB 3.28Å; L1663-H1667 PolarHBondContact O-N 3.46Å; H1667-N1669 PolarHBondContact O-N 3.48Å; H1667-N1669 VanDerWaalsContact O-N 3.09Å
1668K79.8Confident79Confident120 Ų12098.9 Ų98.952%0.52249%0.491SS..  trans-80.286.1167.2-65.6-172.2161.6-133.50109.1L1663 K1664 E1670L1663-K1668 PolarHBondContact O-N 2.9Å; K1664-K1668 VanDerWaalsContact O-O 3.05Å; K1668-E1670 IonicContact NZ-OE1 3.55Å; K1668-E1670 PolarHBondContact O-N 3.47Å
1669N63.7Low77.8Confident137 Ų137102.6 Ų102.673%0.73351%0.509SS*.  trans-69.742.8167.6-71.9-26.7000112.3H1667 C1671H1667-N1669 PolarHBondContact O-N 3.48Å; H1667-N1669 VanDerWaalsContact O-N 3.09Å; N1669-C1671 VanDerWaalsContact C-N 3.25Å; N1669-C1671 PolarHBondContact O-N 3.42Å
1670E52.9Low76.5Confident113 Ų113108.1 Ų108.153%0.52854%0.536SS..  trans-65.290.9159.6-73.8170.7-152.400106.8K1668 I1672K1668-E1670 IonicContact NZ-OE1 3.55Å; K1668-E1670 PolarHBondContact O-N 3.47Å; E1670-I1672 PolarHBondContact O-N 3.26Å
1671C41.2Very low75Confident106 Ų106105.4 Ų105.472%0.71653%0.529SS*.  trans-61.7101.1-177.7-148.30000109.9N1669 L1673N1669-C1671 VanDerWaalsContact C-N 3.25Å; N1669-C1671 PolarHBondContact O-N 3.42Å; C1671-L1673 VanDerWaalsContact C-N 3.25Å; C1671-L1673 PolarHBondContact O-N 3.26Å
1672I44Very low73.4Confident135 Ų135101.6 Ų101.669%0.69253%0.525SS*.  trans-78.980.3172.7-51.6179.4000108.5E1670E1670-I1672 PolarHBondContact O-N 3.26Å
1673L39.6Very low71.4Confident184 Ų184108.5 Ų108.596%0.96356%0.562SS**  trans-95.90164.2-82.3165.7000111.5C1671C1671-L1673 VanDerWaalsContact C-N 3.25Å; C1671-L1673 PolarHBondContact O-N 3.26Å

Retrieved 1,673 of 1,673 residues in 1667.5 ms (Link to these results)