A0A077YYP5_TRITR Loading...

Fn3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,736 aa.

>A0A077YYP5_TRITR|A0A077YYP5
MTSVVNRSEYESNLYAGVNGTVSGQLAPAENDATVSGDECASIADAAVSSDSSGAPWVPLTSVEYSSLGGGGGKNTWPSAATVYTAAPGPTPAGAEQGVPCYLPVVPPWTQVICYAAQPPCFYFPNLLANPVQTIANGGAASNGQLPSPLLEQSAYCERLTMRDAYLTAQPQAPMSTCNPPSSSSAVESASSVNMVTAANVAEGQPTQQHVYSFDGEENQLYNQRQPVVTESKSLTTTVGSVDNDTTNTTVVGEMSVVGEQTILDDETIIVGQNEKDSKVALPLTSATTAAPATTANGSRPPDTIGTATTDRLLPVTCSSKSSSSKSEVNERAESAIQPYMDNRQSTTNSNCDPVKDADASSSSSTSSSSSSSSPPPPPPPPPPPAAASDVEVMAGAASAGDRESVVAPQPAGSNSSSASTTVSSPNVFNAGATGGPAVLTNGFEPNLPCMTPIYVHVNLGQTLSLRVGDNIQHIPGPATVRMVSEQNPPMPLSMNVPPGHIVQQIVDENGALRHVILSPQAPPAPPPPPMAQTGPYPSSGRAPPAAVLSNGPGGPTLQYIPVQGTPCGQAIHHPPLTALRFDANGQPNPAAAFYSPGGDVYPVCGPRMIDESLMPVQEGAEATAATAVAEGSCMEREEMTKLVEMLSRIQPPEVCEVGIREALAKWQPLDCSEAAANGGPFPQIDASEFTYELMLWERRVDAKVAGKYKCSNSQCEQWIFGLKPATDYFTYFNSCYLWSLATAKLLKALLEERGLHGDLTEPVSFRTKATFPEKPYPPRVIQRMKTSLLLRWSAPNDNGSKIMAYLLEMEEEEKEGAFKEVYSGPLRQAKIQKLLMSTEYRFRLAAKNQCGKSDYSELCIASTSGAAPCQPEPPWLIEAKADQLTLGWQRSDADEYQLFMEDTESGYGFLPACTTQECSYTVYNLQRCKQYRFRLIASNEDGQAPPSDVITFCTLPTAPSCPGTPAVHGRLHSTQAKIVWNPPNDFGGCDDVDEYTLQVKEKSSSDGWMSVYAGAQREFQLTNLSPGTAYQCRVRCKGAGGESPFSDVGVFTTMAVHPGPVKVPTIAGKVKATGVHVKWNQPETTGGAEIKDYEVELCWLNDEGDEPDGAARLTTADNFEPRVVYQGPKMECNIQLLLPGRSYRLRVRANNIAGQGAWSEPLNFRTAPSAPDCPLDLRCIASTANSLHIAWNPPLIINGAPIVEYRLSRAIAGGTRQQQHHRKMSYSSSCSASSLSSATTPSSPSPSVADGETESSSSFVGWGPFECVFYGNALSHEVRLLLPDSEYAFHVQVDNAVNSVGVSPPSAQLVCRTQPGPPGCPVNLTAEPLSLYEILLTWEAPVDHGRPVVSYNLEVIPCPDDCPSPVVVPADILTYTFDSLLPETSYRFRVQACNECGVGPYAVPIRAVTLSPPPVAPLLELASAGHNFLKLKWSDHRRSTADDGGRTYFVEMENRLGGHSPVYEGPAKSCKVPRLTENTAYTFRVRASSKNGGMGAWSDPVQFCTGRTPPPALKGRNNCARRELLSFFATKKNILAPIRIVDVAETTAAVEWSTVKMSLGEGDKLAYAVELRHALAHGGRFLEDVKLKLYQLCLIINCCGGADSLLQKRCEKCYPKLQRVPCATYTFSQLHPGVTYAVRVNAVRLCPTSEQQKSDGFLEVPGPSSTAVFTTLASPVRNRTSEVTSAATLSSEGTQLTKGSYRGLTDNQFAWVILIGFTLVAGVIAYIIEKVIAGN
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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
1M30.5Very low32.8Very low230 Ų230146.7 Ų146.7100%1.13376%0.758SS**  096.30-70.4170.6-178.500106
2T31Very low33.1Very low131 Ų131144.3 Ų144.380%0.80476%0.763SS**  76.1127.587.951.40000112.8
3S29.8Very low33.1Very low101 Ų101143.1 Ų143.171%0.70676%0.757SS**  cis-176.1170.30.543.60000111.8
4V34.1Very low33.1Very low121 Ų121144.5 Ų144.573%0.73376%0.764SS**  trans75.7116.7168.3-170.50000114.1
5V33.7Very low32.9Very low123 Ų123149.4 Ų149.475%0.74577%0.77SS**  cis9311329179.20000114.7
6N33Very low32.9Very low126 Ų126146.4 Ų146.467%0.67478%0.775SS**  trans157.4143.5147.9-91.7-60000109.5
7R33.9Very low32.8Very low196 Ų196141.8 Ų141.874%0.7477%0.771SS**  cis-167.6169.3-11.4-157.5178.6178130.2-4.7110.1E9R7-E9 IonicContact NE-OE1 2.77Å
8S33.7Very low32.8Very low93 Ų93141.4 Ų141.465%0.6577%0.773SS**  trans67.2138.1152.448.80000119.9
9E33.3Very low32.7Very low134 Ų134142.3 Ų142.363%0.62678%0.777SS**  cis-171.7176.1-16.8-119.6145-125.300111.1R7R7-E9 IonicContact NE-OE1 2.77Å
10Y34.8Very low32.7Very low203 Ų203138.3 Ų138.380%0.79677%0.77SS**  trans72.4151.2172.7-65.9-82.3000119.9
11E32.7Very low32.4Very low156 Ų156138.2 Ų138.273%0.72977%0.773SS**  178.7122-65.6-100.2-160.8156.500109.9
12S37.1Very low32.4Very low118 Ų118133.6 Ų133.683%0.82576%0.758SS**  trans171.411314827.80000108.3
13N32.1Very low32.2Very low128 Ų128133.1 Ų133.168%0.68476%0.76SS**  71.693.956.4-70.1-35000115
14L33.4Very low32.3Very low163 Ų163131.6 Ų131.685%0.85376%0.76SS**  161.4108.2127.9-83.3160.2000108
15Y30.2Very low32Very low218 Ų218134.6 Ų134.686%0.85577%0.766SS**  81.8139.573.1-103-92.2000115.9
16A33.9Very low32Very low102 Ų102136.4 Ų136.484%0.84377%0.77SS**  trans66.2125.5-172.700000115.1
17G30.7Very low31.7Very low68 Ų68134.6 Ų134.670%0.70177%0.773SS**  cis118.5167.5-3.800000113.7
18V33.2Very low31.8Very low134 Ų134131.2 Ų131.281%0.81278%0.776SS**  trans74.9111.3-170.5-168.50000110.7
19N29.9Very low31.8Very low159 Ų159130.7 Ų130.785%0.8578%0.777SS**  77.6144.452.4-63.9-17.1000114
20G32.4Very low31.7Very low62 Ų62131.9 Ų131.964%0.63978%0.783SS**  trans100.2112.3-169.200000110.1
21T27.3Very low31.6Very low136 Ų136129 Ų12983%0.83478%0.781SS**  cis58.1151.512.838.30000116.4
22V30.3Very low31.6Very low134 Ų134125.5 Ų125.581%0.81277%0.768SS**  trans84.984.4179.7-167.60000116
23S27.3Very low31.3Very low121 Ų121123.3 Ų123.385%0.84676%0.757SS**  6.7128.7128-40.90000120.1
24G32.2Very low31.1Very low68 Ų68123.2 Ų123.270%0.70176%0.761SS**  trans174.5114.7161.600000107.7
25Q27.3Very low31Very low185 Ų185121.2 Ų121.286%0.86476%0.755SS**  cis69.6131.138.8-157.2178.39.200112.1
26L32.6Very low31Very low161 Ų161116.3 Ų116.384%0.84375%0.753SS**  trans76122.7-159.5-51.8162.4000110.4
27A27.8Very low30.8Very low87 Ų87114.4 Ų114.472%0.71974%0.743SS**  cis64144.111.700000116.3
28P34.6Very low30.8Very low126 Ų126118.9 Ų118.982%0.81875%0.751SS**  cis-121-129.9-2.241.5-24.2000110.7
29A34.4Very low30.7Very low81 Ų81120.6 Ų120.667%0.66975%0.75SS**  trans71.6144.1179.500000116
30E31Very low30.6Very low159 Ų159119.3 Ų119.374%0.74375%0.752SS**  cis164.1149-28.1-104.7162.9174.900106
31N33.9Very low30.4Very low142 Ų142119.9 Ų119.976%0.75975%0.751SS**  trans66156177.4-31.2-57000114.4
32D31.1Very low30.5Very low84 Ų84117.7 Ų117.745%0.44974%0.741SS.*  cis-170.5172.4-35.1-109.9-59.5000106V257D32-V257 WeakPolarHBondContact OD2-CG2 3.05Å
33A30.8Very low30.5Very low72 Ų72119.2 Ų119.260%0.59574%0.743SS**  trans68.2122.5-179.900000114
34T29.6Very low30.7Very low125 Ų125117.2 Ų117.277%0.76773%0.734SS**  cis60.2159.613.361.10000116.3
35V30.4Very low30.5Very low122 Ų122121.6 Ų121.674%0.73974%0.741SS**  trans72110.3-161.9-168.60000111.7
36S30.8Very low30.7Very low114 Ų114116.9 Ų116.980%0.79773%0.734SS**  cis63.880.87.680.20000116.9
37G29.6Very low30.7Very low63 Ų63113.3 Ų113.365%0.64973%0.727SS**  trans-154.5123.115800000106.3
38D30Very low30.8Very low161 Ų161115.3 Ų115.386%0.86173%0.731SS**  cis66.4147.216.9-115.6-21.1000114.9
39E30.9Very low30.6Very low170 Ų170113.9 Ų113.979%0.79472%0.724SS**  trans60.195.4177.6-55.1-158.9132.700119.2
40C28.1Very low30.5Very low132 Ų132114.5 Ų114.589%0.89272%0.723SS**  -112.2108.3106.6-75.60000106.3
41A29.3Very low30.5Very low74 Ų74112.3 Ų112.361%0.61272%0.716SS**  66.2133.77000000112.2
42S28.6Very low30.4Very low91 Ų91110.6 Ų110.664%0.63672%0.716SS**  cis-178.2167.5-550.70000108.8
43I30.5Very low30.5Very low166 Ų166112.3 Ų112.385%0.85173%0.734SS**  trans70.4137.8165.8-54.5153.1000113.3
44A31.9Very low30.6Very low79 Ų79112.8 Ų112.865%0.65375%0.746SS**  cis-126.7165-7.600000107.1
45D28.5Very low30.9Very low160 Ų160111.4 Ų111.486%0.85675%0.747SS**  cis59.6145.246.2-145.8-6.4000114.6
46A31.5Very low31.3Very low85 Ų85110.5 Ų110.570%0.70274%0.744SS**  trans66.2117.8-179.900000120.4
47A30.8Very low31.2Very low86 Ų86116 Ų11671%0.71175%0.747SS**  73.1120.1124.600000123.6
48V29.9Very low31.2Very low130 Ų130119 Ų11979%0.78875%0.753SS**  78.2112.5123.6175.20000120.8
49S30.9Very low31.4Very low96 Ų96116.3 Ų116.367%0.67174%0.744SS**  trans65.2130.4143.173.70000124.4
50S32.4Very low31.2Very low94 Ų94115.1 Ų115.166%0.65774%0.743SS**  71.6120.6128.266.70000123
51D31.2Very low31.2Very low112 Ų112114.4 Ų114.460%0.59973%0.734SS**  75.3142.8126.4-71.810.9000124.6P378D51-P378 VanDerWaalsContact OD2-CG 3.24Å; D51-P378 WeakPolarHBondContact OD2-CG 3.29Å
52S32.6Very low31.1Very low107 Ų107116.3 Ų116.375%0.74874%0.743SS**  trans85.4100.1145.768.60000121
53S32.5Very low31.1Very low120 Ų120118.1 Ų118.184%0.83975%0.75SS**  22.2124.4126.2590000120.7
54G32.4Very low31.2Very low82 Ų82117.7 Ų117.785%0.84575%0.745SS**  trans-174.295.6162.700000114.9
55A36.3Very low31.2Very low96 Ų96124.7 Ų124.779%0.79376%0.755SS**  trans-78.1-179.8156.400000108.9
56P37.7Very low31.5Very low103 Ų103120.4 Ų120.467%0.66974%0.738SS**  cis-148.6-164.720.424.46.2000116.9
57W29.8Very low31.5Very low228 Ų228121.6 Ų121.686%0.86474%0.741SS**  trans72.694.2163.7-5198.8000121
58V29.6Very low31.6Very low126 Ų126126 Ų12676%0.76475%0.752SS**  27.3136.5100.7-176.20000117.6
59P33.2Very low31.6Very low105 Ų105123.8 Ų123.868%0.68276%0.755SS**  cis-137.8-162.2-8.840.2-19.5000115.6
60L26.8Very low31.7Very low146 Ų146122.9 Ų122.976%0.76476%0.762SS**  trans76.897.4154.3-72.8169.1000121.4
61T28.7Very low31.8Very low117 Ų117122.6 Ų122.672%0.71877%0.773SS**  33.9118.8125.758.50000121.7
62S26.5Very low31.9Very low114 Ų114121.3 Ų121.380%0.79779%0.787SS**  trans-150.6128.2138.2-70.80000106.6
63V30Very low32Very low128 Ų128119.7 Ų119.778%0.77679%0.786SS**  64.4119.568.6-172.90000109
64E32Very low32Very low158 Ų158122.8 Ų122.874%0.73879%0.785SS**  -154.216980.1-82.6177.9172.100110.1
65Y31.3Very low32Very low225 Ų225125.2 Ų125.288%0.88278%0.778SS**  cis-114.3135.533.2-75.9-111.2000111.6
66S34.6Very low31.8Very low70 Ų70126 Ų12649%0.4977%0.774SS.*  cis115.9108.919.668.60000110.7
67S32.3Very low31.3Very low110 Ų110132.5 Ų132.577%0.76979%0.785SS**  trans-178.312613134.10000112.5
68L32.2Very low31.6Very low179 Ų179126.6 Ų126.694%0.93778%0.776SS**  trans33.8115.5134.6-50.5168.9000116.8
69G31.7Very low31.6Very low83 Ų83125.7 Ų125.786%0.85678%0.775SS**  cis142.6167.318.900000108.1
70G32.5Very low31.3Very low78 Ų78125.2 Ų125.280%0.80478%0.78SS**  cis-179.3170.1-3.100000110.2
71G33.9Very low31.5Very low87 Ų87122.4 Ų122.490%0.89778%0.778SS**  trans80.7137.8-17700000113.6
72G33.7Very low31.4Very low86 Ų86123.3 Ų123.389%0.88778%0.783SS**  cis137.1102.5-1.300000111.1
73G34Very low31.6Very low72 Ų72122.9 Ų122.974%0.74278%0.776SS**  trans-177.588-173.600000116.3
74K33.3Very low31.5Very low186 Ų186128 Ų12881%0.80978%0.783SS**  40.3119.1129.6-70.9175.9179.4175.20120.2
75N32.8Very low31.3Very low132 Ų132126 Ų12671%0.70678%0.781SS**  83137.7120.5-61.67.2000121.9
76T31.7Very low31.4Very low114 Ų114119.9 Ų119.970%0.69978%0.778SS**  trans76.8122.1136.247.80000122.9
77W27Very low31Very low238 Ų238120.9 Ų120.990%0.90279%0.79SS**  23.6147.9122.7-6079.1000119.8
78P36.7Very low31.2Very low105 Ų105121.4 Ų121.468%0.68279%0.791SS**  cis-139.1-139.1-25.540-18.7000110.5
79S28.8Very low31.2Very low107 Ų107115.9 Ų115.975%0.74878%0.777SS**  trans1115.8152.6-169.70000119.5
80A27.6Very low31.6Very low94 Ų94117.9 Ų117.978%0.77778%0.775SS**  trans71.9169142.700000121
81A30Very low31.7Very low87 Ų87120.2 Ų120.272%0.71977%0.774SS**  trans79.383.7160.700000120.4
82T27.8Very low31.9Very low136 Ų136121.6 Ų121.683%0.83477%0.767SS**  56.6159110.9-40.30000121.7
83V29.1Very low31.8Very low106 Ų106122.5 Ų122.564%0.64277%0.766SS**  trans94.991.7161.1-1650000116.3T85V83-T85 HydrophobicContact CG1-CG2 4.07Å
84Y28.3Very low31.8Very low235 Ų235122.4 Ų122.492%0.92277%0.766SS**SBend-101.3147.7101.1-114.8-89.6000109.3
85T27.2Very low31.7Very low115 Ų115118.1 Ų118.171%0.70677%0.765SS**SBendtrans-62.5149.6-172.449.40000113.3V83V83-T85 HydrophobicContact CG1-CG2 4.07Å
86A33.5Very low31.6Very low98 Ų98119.3 Ų119.381%0.8177%0.766SS**  cis-143.9158.620.500000115
87A27.9Very low31.6Very low91 Ų91121.9 Ų121.975%0.75277%0.77SS**  trans-77.9173.6168.200000111.1
88P36.6Very low31.9Very low120 Ų120114.1 Ų114.178%0.77976%0.764SS**  cis-137.5175.115.743.2-25.5000117.3
89G30.9Very low31.6Very low63 Ų63115.5 Ų115.565%0.64977%0.77SS**  trans-74.5-177.3158.300000112.4
90P40.9Very low31.9Very low125 Ų125116.1 Ų116.181%0.81277%0.772SS**  -148.7176.667.141.1-23000117.3
91T34.7Very low31.9Very low127 Ų127117.9 Ų117.978%0.77978%0.777SS**  trans-55.8172.5153.554.40000112.5
92P37Very low31.8Very low116 Ų116124.2 Ų124.275%0.75378%0.784SS**  cis-150.3-171.922.445.1-24.6000118.3
93A32Very low31.8Very low105 Ų105125.1 Ų125.187%0.86878%0.783SS**  trans74.8152.1143.300000121.6
94G33.2Very low31.8Very low71 Ų71125.7 Ų125.773%0.73279%0.789SS**  trans111.1102.2-173.100000110.1
95A31.5Very low31.9Very low96 Ų96120.7 Ų120.779%0.79378%0.782SS**  63.5122.661.600000111.6
96E31.3Very low32.3Very low156 Ų156121.1 Ų121.173%0.72978%0.784SS**  cis-159.1163.112-124.8-177.9119.700112.2
97Q32.4Very low32.3Very low168 Ų168122 Ų12279%0.78578%0.782SS**  trans49.6109.5157.4-55.5171.132.200117.4
98G31.9Very low32.7Very low75 Ų75122.4 Ų122.477%0.77378%0.777SS**  111.5152.963.300000109.1
99V31.5Very low32.3Very low134 Ų134128 Ų12881%0.81278%0.783SS**  cis-149.6143.53.2173.50000107.4
100P33.8Very low32Very low121 Ų121131 Ų13179%0.78679%0.788SS**  trans-84.3136.518033-34.4000113.3
101C29.4Very low31.3Very low131 Ų131133.6 Ų133.689%0.88579%0.79SS**  trans-160.2163.9170.3-118.70000113.1
102Y28.1Very low30.9Very low219 Ų219132.8 Ų132.886%0.85978%0.784SS**  trans-73.1168.8174.2-90-118.2000113.2
103L27.3Very low30.4Very low156 Ų156133.9 Ų133.982%0.81778%0.783SS**  trans105.8141.2161-60.8167.4000117.4
104P29.6Very low30.1Very low117 Ų117133.9 Ų133.976%0.7678%0.775SS**  trans-85.7142.9175.634.8-34.1000112.6
105V28.6Very low29.8Very low130 Ų130141.2 Ų141.279%0.78878%0.782SS**  trans-139.1108.4-178-176.60000107.5
106V35.8Very low29.6Very low124 Ų124141.1 Ų141.175%0.75278%0.781SS**  76.6111.860.5177.10000113.1
107P34.4Very low29.9Very low117 Ų117138.4 Ų138.476%0.7679%0.786SS**  -144-179.811841.4-28.6000112.7
108P36Very low29.9Very low100 Ų100139 Ų13965%0.64979%0.789SS**  -132.9163.4-51.539.3-25.2000113.8
109W28.8Very low30.4Very low236 Ų236140.4 Ų140.489%0.89478%0.784SS**  trans42.1114.7140-61.818.8000119.4
110T24.5Very low30.4Very low126 Ų126139.4 Ų139.477%0.77378%0.78SS**  74.9141.685.9-51.40000114.6
111Q26.4Very low30.2Very low181 Ų181138.6 Ų138.685%0.84678%0.776SS**  trans83.1150-176.2-54.7-166.81.200114.5
112V25.9Very low30Very low109 Ų109140 Ų14066%0.66177%0.768SS**  cis-155.3145.6-11.11200000111
113I25.2Very low30Very low139 Ų139139.5 Ų139.571%0.71377%0.766SS**  trans28.1132.3151.1-48.5166.1000120.5
114C25.9Very low30.7Very low105 Ų105142.7 Ų142.771%0.70977%0.773SS**  trans-23.3147155.3-42.80000117.6
115Y27.3Very low30.8Very low225 Ų225141 Ų14188%0.88276%0.763SS**  -172.8176.5100.7-109.3-80.8000111.3
116A28.6Very low31Very low94 Ų94141.7 Ų141.778%0.77776%0.762SS**  trans-36.5149-175.900000116.9
117A36.1Very low30.9Very low99 Ų99142.9 Ų142.982%0.81876%0.763SS**  cis-140.5152.930.100000116.5
118Q33.3Very low30.9Very low181 Ų181145.2 Ų145.285%0.84677%0.768SS**  trans-156.5167.5171.4-91.2-155.87.100108.5
119P41.9Very low30.9Very low105 Ų105144.6 Ų144.668%0.68277%0.771SS**  cis-118.1-141.2-34.630-8.2000107.8
120P32.5Very low31.7Very low112 Ų112139.8 Ų139.873%0.72776%0.763SS**  -139.5162.556.436.5-17.1000116.4
121C28Very low32.8Very low104 Ų104138.4 Ų138.470%0.70376%0.756SS**  trans68.4153.9169.7-62.10000116.4
122F25Very low33Very low161 Ų161135.4 Ų135.471%0.70675%0.75SS**  cis-150.2168.2-18.2-123.1-56.6000109.3
123Y29.5Very low33.2Very low208 Ų208138.2 Ų138.282%0.81676%0.756SS**  trans-125.8169.7166.4-98.6-127.2000107.8
124F42Very low33.2Very low223 Ų223136.5 Ų136.598%0.97875%0.752SS**SBendtrans-87.867.2176.1-76.4-70000113.6
125P30.9Very low33.3Very low83 Ų83139.5 Ų139.554%0.53976%0.759SS.*  -109.6144.3119.5-14.932.8000111.2
126N34.3Very low33.3Very low144 Ų144132.8 Ų132.877%0.7775%0.75SS**  -167.8162.873.1-88.3-40.5000112.6
127L31.8Very low33.1Very low148 Ų148136.3 Ų136.378%0.77576%0.756SS**  trans-76.2150.7156.6-63.793.1000110.4
128L35.7Very low32.9Very low167 Ų167134.8 Ų134.887%0.87475%0.751SS**  trans48.1127152-57.8164000117.8
129A35.8Very low32.8Very low86 Ų86129.9 Ų129.971%0.71175%0.748SS**  cis-1511661000000107.3
130N45.8Very low32.4Very low136 Ų136129.4 Ų129.473%0.72775%0.753SS**  cis60155.441.6-160.136.5000113.7
131P46.6Very low32.4Very low96 Ų96128.4 Ų128.462%0.62375%0.754SS**  40.5153.7-101.8-33.611.4000118.1
132V30.1Very low32.7Very low118 Ų118128.4 Ų128.472%0.71576%0.755SS**  cis65.3142.431.1-166.90000107.8
133Q30.7Very low33Very low169 Ų169128 Ų12879%0.7976%0.76SS**  cis-164.5165.435.6-141.815533.500103.7
134T25.8Very low33.2Very low102 Ų102121.2 Ų121.263%0.62676%0.755SS**  cis-162.3-174.519-33.80000107.9
135I26.9Very low32.7Very low168 Ų168118 Ų11886%0.86274%0.743SS**SBendtrans84.4111.3171.8-48.9167.4000112.3
136A27.7Very low32.6Very low84 Ų84121.6 Ų121.669%0.69476%0.756SS**  cis-121.3137.8400000112.9G138A136-G138 PolarHBondContact O-N 3.23Å; A136-G138 VanDerWaalsContact O-N 3.14Å
137N25.8Very low32.5Very low168 Ų168120 Ų12090%0.89875%0.753SS**  trans-60.2110151.1-62.8-37.1000106.7
138G30.6Very low32.6Very low68 Ų68117.9 Ų117.970%0.70175%0.751SS**  trans-135.8-6.7-16500000117A136A136-G138 PolarHBondContact O-N 3.23Å; A136-G138 VanDerWaalsContact O-N 3.14Å
139G31.9Very low32.6Very low77 Ų77115.8 Ų115.879%0.79475%0.748SS**  trans63.1-165-174.700000113.1
140A32.7Very low32.2Very low95 Ų95120 Ų12079%0.78576%0.757SS**  cis-170.6152.1-26.700000108.9
141A34Very low31.5Very low91 Ų91121.3 Ų121.375%0.75276%0.764SS**  trans67.9155153.300000120.9
142S32.8Very low30.5Very low104 Ų104123.9 Ų123.973%0.72777%0.767SS**  trans68.7140.1161.961.30000119
143N31.6Very low30.5Very low152 Ų152126.1 Ų126.181%0.81377%0.77SS**  cis156.8146.3-22.9-93.7-8.4000104.8
144G34Very low30.2Very low67 Ų67122.8 Ų122.869%0.69177%0.765SS**  trans13948.8-176.800000112.7
145Q30.7Very low30.2Very low156 Ų156121.9 Ų121.973%0.72977%0.768SS**  61.7101.192.8-74.2175.5-113.400114.7
146L28.3Very low30.3Very low158 Ų158124.3 Ų124.383%0.82777%0.768SS**  51.3153.9100.6-70.3166000119.5
147P33.2Very low30.1Very low109 Ų109125.6 Ų125.671%0.70877%0.771SS**  cis-137.8177.5-1338.6-20.4000115.4
148S34.1Very low30.4Very low104 Ų104124.6 Ų124.673%0.72776%0.76SS**  trans-65.7168155-39.20000111.6
149P35.4Very low30.4Very low123 Ų123131 Ų13180%0.79976%0.763SS**  -141.4151.588.937.6-24.1000114.7
150L27Very low30.1Very low175 Ų175135.4 Ų135.492%0.91677%0.768SS**  trans-97128.9160.8-84.8163.5000108.2
151L31.5Very low30Very low164 Ų164137.3 Ų137.386%0.85977%0.77SS**  trans-124.4160.2171.8-152.975.4000110.1
152E26.2Very low29.6Very low149 Ų149141.7 Ų141.770%0.69678%0.777SS**  trans-68.7176.1-172-42.8175.5144.500115
153Q28.6Very low29.5Very low165 Ų165147.9 Ų147.977%0.77179%0.785SS**  trans70.3156.9158.4-60.3162.650.200116.1
154S25.2Very low29.4Very low99 Ų99148 Ų14869%0.69279%0.785SS**  cis-166.1174.5-34.963.20000108.6
155A26.4Very low29.3Very low83 Ų83149.2 Ų149.269%0.68679%0.789SS**  trans71.9136.8149.700000121.3
156Y27.5Very low29.2Very low220 Ų220152.1 Ų152.186%0.86379%0.794SS**  trans75.9102.6147.2-87.6-115.5000122.2
157C25.3Very low29.3Very low111 Ų111151.2 Ų151.275%0.7579%0.79SS**  6144.3126.9-48.80000119.9
158E31.3Very low29.1Very low146 Ų146152 Ų15268%0.68279%0.793SS**  -156144.4116.1-93.5-141.4135.300114.7
159R29.6Very low28.9Very low202 Ų202152.1 Ų152.176%0.76280%0.8SS**  trans55.8110.8148.6-62.4178.3-159.4-151.46.9122.3
160L26.3Very low28.7Very low171 Ų171154.7 Ų154.790%0.89580%0.801SS**  trans-51.6149.6142.2-68.8135.9000112.5
161T30.8Very low29.1Very low134 Ų134152.1 Ų152.182%0.82280%0.795SS**  trans-161.1133.9135-1.80000111.8
162M25.2Very low29.2Very low183 Ų183152.7 Ų152.790%0.90179%0.793SS**  trans-84143156.4-71.9-164.8-67.500109.4
163R30.5Very low29.4Very low235 Ų235150.1 Ų150.189%0.88780%0.798SS**  trans-165.4134.1150.1-126.6178.7178.595.80.2113.1
164D29.1Very low29.9Very low155 Ų155148.5 Ų148.583%0.82980%0.801SS**  trans-70.9142.7165.9-51-92.5000112
165A32.1Very low30.2Very low92 Ų92152.2 Ų152.276%0.7681%0.81SS**  trans-164.193.6158.500000113.9
166Y30.1Very low30.7Very low216 Ų216154.1 Ų154.185%0.84782%0.818SS**  43.5132.7125.3-85.5-108.8000123
167L30.8Very low31Very low139 Ų139149.8 Ų149.873%0.72882%0.815SS**  trans90.894.8142.5-64.9162000122.7
168T28Very low31.4Very low127 Ų127150.4 Ų150.478%0.77982%0.819SS**  35.3124.4118.6580000122.6
169A30.9Very low31.7Very low105 Ų105151.2 Ų151.287%0.86883%0.828SS**  trans-160139.6137.700000113.6
170Q31.1Very low32.8Very low178 Ų178146.6 Ų146.683%0.83282%0.824SS**  trans-136.7152.6160.6-94.5-160.3-8.100107.6
171P35.3Very low33.5Very low121 Ų121144 Ų14479%0.78682%0.817SS**  -157.6140.9104.937-16.6000119.4
172Q32.8Very low33.9Very low176 Ų176142.2 Ų142.282%0.82281%0.811SS**  trans23.4131138.2-57.9-175.8-13.800126.3
173A31.4Very low34.6Very low95 Ų95138.6 Ų138.679%0.78580%0.803SS**  65.6168.3127.800000121.5
174P37.7Very low34.9Very low131 Ų131132.4 Ų132.485%0.85180%0.796SS**  cis-132.8-147.66.144-23.8000116.8
175M32Very low35.1Very low177 Ų177130.7 Ų130.787%0.87280%0.796SS**  trans-104.7162.1-154.7-48.8179.1-70.600118.7
176S36.6Very low35.2Very low123 Ų123131 Ų13186%0.8680%0.799SS**  175.9175.6127.1440000113.7
177T33.5Very low35.3Very low129 Ų129126.8 Ų126.879%0.79180%0.795SS**  trans-134.7156.2-156.154.30000116.4
178C33.3Very low35.3Very low123 Ų123128.4 Ų128.483%0.83180%0.799SS**  165.786.2128.6-88.60000117.5
179N39.3Very low35.6Very low163 Ų163127.9 Ų127.987%0.87280%0.801SS**  trans42.7155.1135.1-93.7-1.6000126.4
180P51.8Low35.7Very low106 Ų106127.1 Ų127.169%0.68879%0.794SS**  trans-110.4-123.1-147.730.6-6.1000112.8
181P41Very low35.8Very low115 Ų115124.2 Ų124.275%0.74779%0.793SS**  cis-104.6-153.421.246.3-40.3000112.9
182S40.6Very low35.6Very low98 Ų98124.3 Ų124.369%0.68580%0.797SS**  cis-162.6161.29.546.50000113.1
183S38.5Very low35.7Very low107 Ų107122 Ų12275%0.74880%0.795SS**  trans35.5127.6153.2610000121.6
184S36.8Very low35.8Very low104 Ų104124.6 Ų124.673%0.72780%0.796SS**  cis-164.6115.8-750.10000112.4
185S34.7Very low35.6Very low120 Ų120126.9 Ų126.984%0.83980%0.797SS**  trans39140.1147600000122.5
186A33.7Very low35.8Very low99 Ų99124.1 Ų124.182%0.81879%0.79SS**  175.4164.2-53.500000109
187V31Very low35.6Very low127 Ų127124.2 Ų124.277%0.7779%0.785SS**  trans-126154.9177.41700000109.5
188E32.1Very low35.7Very low172 Ų172122.5 Ų122.580%0.80478%0.784SS**  trans72.5112.9164.6-84.6160.3-163.900122.4
189S33.4Very low35.8Very low117 Ų117120.5 Ų120.582%0.81878%0.777SS**  trans83.1129.4131.773.60000125
190A32.6Very low35.6Very low89 Ų89120.3 Ų120.374%0.73678%0.776SS**  trans78.195.9137.800000125.2
191S33.2Very low34.9Very low116 Ų116121.7 Ų121.781%0.81178%0.782SS**  49.7129.3127.364.30000125.3
192S32.8Very low34.5Very low123 Ų123119.5 Ų119.586%0.8677%0.773SS**  trans179.8177.313644.10000112.8
193V33.7Very low34.1Very low129 Ų129124 Ų12478%0.78278%0.783SS**  trans-142.8137.5-163172.60000115.2
194N34.4Very low33.7Very low149 Ų149122.3 Ų122.380%0.79778%0.783SS**  trans28.4135.9157.7-58.9-13000123.9
195M33.4Very low33.4Very low178 Ų178126.5 Ų126.588%0.87779%0.791SS**  -171.2135126.3-95.5-132.3-82.400116.2
196V34.7Very low33.4Very low120 Ų120126.2 Ų126.273%0.72779%0.786SS**  trans74135.8139.6178.50000123.3
197T33.9Very low33Very low125 Ų125126.6 Ų126.677%0.76778%0.779SS**  trans-54.1164.6171.3490000116.9
198A34.1Very low32.9Very low93 Ų93127.5 Ų127.577%0.76977%0.774SS**  cis-170.7-147.7-1300000106.3
199A37Very low32.7Very low81 Ų81126.3 Ų126.367%0.66977%0.769SS**  cis-164.8-179.45.200000110.6
200N35.1Very low32.6Very low159 Ų159128.3 Ų128.385%0.8577%0.765SS**  trans67.2142174.3-64.5-9.4000116.6
201V35.3Very low32.7Very low134 Ų134129.4 Ų129.481%0.81276%0.762SS**  cis-145.5163.8-3.71080000111.7
202A33.7Very low32.6Very low69 Ų69133.7 Ų133.757%0.5776%0.762SS**  trans-42.3174.8170.200000116.7
203E31.5Very low32.5Very low192 Ų192131.5 Ų131.590%0.89775%0.747SS**  cis-167.4174.810.4-144.4150.8-136.400111.1
204G31.4Very low32.5Very low72 Ų72133.9 Ų133.974%0.74275%0.747SS**  trans99.3126.3150.200000118
205Q29.7Very low32.5Very low193 Ų193133.7 Ų133.790%0.90275%0.746SS**  trans-72.4162.8162.3-51.2175.8-60.100109.7
206P33.8Very low32.5Very low113 Ų113128.1 Ų128.173%0.73474%0.735SS**  -149.5172.389.440.9-24.2000116.9
207T25.8Very low32.6Very low107 Ų107131 Ų13166%0.65674%0.74SS**  trans-17.2164.8150.9640000118.3
208Q29.7Very low32.5Very low146 Ų146132.6 Ų132.668%0.68274%0.739SS**  cis-171.2150.141-148.914335.500114.3
209Q27.4Very low32.4Very low148 Ų148133.3 Ų133.369%0.69273%0.73SS**  trans29.3132.5146.6-61.8162.3-10.600119.4
210H32.5Very low32Very low159 Ų159137.5 Ų137.574%0.73674%0.735SS**  -160.3138.263.5-101.4-101.9000114
211V32.8Very low31.8Very low111 Ų111136.1 Ų136.167%0.67373%0.728SS**  trans66.1129.2133.8173.80000120.3
212Y32.7Very low31.5Very low206 Ų206138.8 Ų138.881%0.80872%0.724SS**  cis-150.4144.5-6.2-120.1-148.7000108.5
213S29.7Very low31.2Very low78 Ų78141 Ų14155%0.54573%0.726SS.*  trans1.9151.6141.463.20000120.8
214F32.9Very low31Very low178 Ų178140.8 Ų140.878%0.78173%0.725SS**  cis-154161.441.9-112.2-82.2000114.1
215D34.4Very low30.9Very low145 Ų145148.6 Ų148.678%0.77573%0.733SS**  trans-23.3160.2173.5-41.2-17.1000120.3
216G34.8Very low30.6Very low62 Ų62148.4 Ų148.464%0.63973%0.732SS**  cis-152.1153.65.700000112.8
217E35.8Very low30.6Very low180 Ų180148 Ų14884%0.84173%0.729SS**  76.2115.8101.9-71-165.9167.400114.3
218E32.4Very low30.6Very low159 Ų159148.4 Ų148.474%0.74373%0.731SS**  77.7144.164.3-75.6-165.5-165.900112.9
219N31.3Very low30.5Very low108 Ų108146.4 Ų146.458%0.57873%0.729SS**  cis-139.8151.3-5.7-96-43.2000106.9
220Q29.4Very low30.5Very low168 Ų168145.4 Ų145.479%0.78573%0.733SS**  57.815454.3-74.6-139.33400115.7
221L30.3Very low30.3Very low131 Ų131146.3 Ų146.369%0.68674%0.737SS**  trans65.9159165.7-63.5146.3000116.4
222Y28.7Very low29.9Very low189 Ų189145.8 Ų145.874%0.74174%0.739SS**  cis-165.4161.9-38.8-150.2-131.6000108.5
223N28.1Very low29.7Very low115 Ų115145.1 Ų145.162%0.61574%0.74SS**  trans35.5105.7158.4-74.5-8.1000121
224Q28Very low29.7Very low188 Ų188146.2 Ų146.288%0.87975%0.748SS**  172.8122.9123.3-95.2152.89400107.7
225R27.6Very low29.5Very low237 Ų237145.2 Ų145.289%0.89475%0.75SS**  53.9132.354.1-80.4-163.7174.3-151.9-0.7113.7
226Q25.4Very low29.2Very low188 Ų188143.5 Ų143.588%0.87974%0.744SS**  trans83.7159176.8-56.8-149.4-47.400114.6
227P32.8Very low28.8Very low104 Ų104146 Ų14668%0.67575%0.748SS**  -147.3-138.1-97.336-8.1000112.3
228V26.5Very low28.4Very low116 Ų116143.1 Ų143.170%0.70374%0.742SS**  trans44.9111.9139.2168.80000118.2
229V26.2Very low28.2Very low105 Ų105142.6 Ų142.664%0.63675%0.75SS**  trans57.6105.7139.7-176.50000115.5E231V229-E231 HydrophobicContact CG1-CG 4.46Å
230T28.2Very low28.2Very low127 Ų127140.4 Ų140.478%0.77975%0.753SS**  64.9160.575.9-42.50000113.2
231E27.7Very low28.1Very low178 Ų178137.8 Ų137.883%0.83275%0.753SS**  trans80156.2168-51.7-170.2164.200118.2V229V229-E231 HydrophobicContact CG1-CG 4.46Å
232S24.1Very low28Very low100 Ų100137.3 Ų137.370%0.69976%0.755SS**  trans-118.3118.5179.965.90000111.2
233K30Very low28.1Very low191 Ų191134.4 Ų134.483%0.8375%0.752SS**  trans79.1157.2159.8-52.7165.6-179.7169.10117.8
234S29.1Very low28.2Very low102 Ų102135.1 Ų135.171%0.71376%0.757SS**  trans71.8101.5161.94.80000115.5
235L28.3Very low28.3Very low156 Ų156132.3 Ų132.382%0.81775%0.747SS**  88.5116.668.6-80.1163.1000113.1
236T28.4Very low28.4Very low109 Ų109126.7 Ų126.767%0.66974%0.739SS**  trans72.693130.7-49.30000119
237T27.5Very low28.7Very low116 Ų116122.7 Ų122.771%0.71273%0.728SS**  80116.1121.8-52.90000120.6
238T26.9Very low28.5Very low118 Ų118124.2 Ų124.272%0.72473%0.731SS**  trans62.9128.1150.456.90000123.2
239V27.2Very low28.7Very low148 Ų148123.8 Ų123.890%0.89773%0.729SS**  trans61.9121.1130.2-178.70000119.8
240G31Very low28.9Very low62 Ų62124.6 Ų124.664%0.63973%0.734SS**  trans149.2122.7169.200000109
241S27.9Very low29Very low114 Ų114124.6 Ų124.680%0.79773%0.733SS**  cis68.786.149.7-161.50000109.9
242V28.5Very low29.1Very low121 Ų121121.8 Ų121.873%0.73373%0.728SS**  98.415381.2152.90000111.2
243D30.6Very low29.5Very low127 Ų127119.8 Ų119.868%0.67972%0.723SS**  trans73.1104.4172.2-66.3-25.8000120.4
244N29.7Very low29.5Very low131 Ų131118.2 Ų118.270%0.70172%0.719SS**  80.1152.4114.8-63.1-15000124.5
245D31.4Very low29.5Very low128 Ų128120.7 Ų120.768%0.68472%0.721SS**  trans74.592.2144.1-67.7-18000122.9
246T29.8Very low29.4Very low119 Ų119116.3 Ų116.373%0.7370%0.703SS**  66.9167122.577.90000119.3
247T30.1Very low29.4Very low104 Ų104115.6 Ų115.664%0.63870%0.698SS**  cis-152166.75.4-12.40000110.3
248N29.3Very low29.4Very low136 Ų136116.2 Ų116.273%0.72770%0.702SS**  trans72.7144.6152.3-64.6-25.3000118.1
249T31.7Very low29.6Very low108 Ų108113.8 Ų113.866%0.66370%0.701SS**  cis-153.5131.79.9-9.70000112.2
250T29.8Very low29.6Very low122 Ų122114 Ų11475%0.74869%0.692SS**  trans49.314414153.70000121.4
251V30.9Very low29.3Very low126 Ų126118 Ų11876%0.76469%0.694SS**  cis-139.5124.217.7-169.60000106.2
252V29.4Very low29.1Very low119 Ų119118.2 Ų118.272%0.72169%0.69SS**  52.6136.285.9-170.80000113.4
253G31.5Very low29.1Very low58 Ų58119.2 Ų119.260%0.59869%0.69SS**  cis-141.1179.95.600000112.7
254E30.7Very low29Very low159 Ų159119.5 Ų119.574%0.74369%0.691SS**  68.8141.373.7-59.9-177.8146.900113.1
255M28.7Very low28.8Very low154 Ų154118.9 Ų118.976%0.75969%0.688SS**  cis-155.4146.2-10.7-104.3169.2-170.900105.8
256S26.6Very low28.6Very low63 Ų63118.9 Ų118.944%0.44169%0.688SS.*  59138.781.7-133.90000116.7
257V28.6Very low28.7Very low94 Ų94121 Ų12157%0.5769%0.689SS**  trans76.7108.4152172.30000120.7D32D32-V257 WeakPolarHBondContact OD2-CG2 3.05Å
258V26.9Very low28.5Very low129 Ų129120.3 Ų120.378%0.78269%0.685SS**  trans60143.3131-176.30000121.5
259G31.8Very low28.4Very low68 Ų68120 Ų12070%0.70168%0.682SS**  trans137.766.6174.500000110.4
260E26.1Very low28.3Very low153 Ų153121.9 Ų121.972%0.71569%0.687SS**  62.6126.673.4-137.1-146.1148.300114.3
261Q25Very low28.1Very low144 Ų144121.5 Ų121.567%0.67368%0.684SS**  trans64.2124.9170.9-54.4-174.821.100115.7
262T24.8Very low28.1Very low119 Ų119118.9 Ų118.973%0.7368%0.682SS**  63.281.854.6-48.10000112.7
263I27.4Very low27.9Very low142 Ų142120.4 Ų120.473%0.72868%0.681SS**  trans-163.7117.6136-95.3143.1000104.1
264L27.8Very low27.7Very low133 Ų133122.7 Ų122.770%0.69668%0.68SS**  71.2150.565.8-79.4168.2000113
265D27Very low27.5Very low119 Ų119121.3 Ų121.364%0.63667%0.674SS**  trans62.7100.8164.5-47.9-18.5000114.6
266D27.5Very low27.4Very low128 Ų128120.8 Ų120.868%0.68467%0.667SS**  98.8174.484.7-82.5-21.8000109.3T268D266-T268 HydrophobicContact CB-CG2 4.42Å; D266-T268 VanDerWaalsContact OD1-CG2 3.24Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.03Å
267E30.2Very low27.3Very low163 Ų163123.9 Ų123.976%0.76268%0.679SS**  cis-111.1127.8-6.3-74.9-178.2127.200107.8
268T27.7Very low27.1Very low89 Ų89123.5 Ų123.555%0.54668%0.68SS.*  63164.268.177.10000114.3D266D266-T268 HydrophobicContact CB-CG2 4.42Å; D266-T268 VanDerWaalsContact OD1-CG2 3.24Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.03Å
269I26.4Very low27Very low130 Ų130125.6 Ų125.667%0.66768%0.679SS**  trans62.1134.6177.3-3.7-176.4000113.8V271I269-V271 HydrophobicContact CG2-CG2 4.2Å
270I29.5Very low26.8Very low147 Ų147128.2 Ų128.275%0.75468%0.681SS**  cis-136.8117.423.8-66.3162.6000107.3G272I270-G272 PolarHBondContact O-N 3.03Å
271V26Very low26.9Very low115 Ų115124.8 Ų124.870%0.69768%0.679SS**  53.347.477.9-165.50000113.1I269I269-V271 HydrophobicContact CG2-CG2 4.2Å
272G29.7Very low27.2Very low70 Ų70124.7 Ų124.772%0.72268%0.682SS**  trans-11769.3166.100000110.1I270I270-G272 PolarHBondContact O-N 3.03Å
273Q26.6Very low27.4Very low151 Ų151123.6 Ų123.671%0.70668%0.677SS**  56.4137.789.7-106.2-159.52300115.3
274N26.1Very low27.4Very low106 Ų106123.6 Ų123.657%0.56768%0.678SS**  trans73.4103158.7-54.9-20.9000115
275E26.5Very low27.4Very low131 Ų131122.8 Ų122.861%0.61268%0.678SS**  85.3168.874-83.7-176.9125.200110.9
276K26.9Very low27.3Very low142 Ų142121.6 Ų121.662%0.61768%0.68SS**  trans62.693.2150.6-77.1147.5-165.2159.60115.1
277D25.4Very low27.4Very low129 Ų129119.6 Ų119.669%0.6968%0.681SS**  76.8112.381.6-80.2-47.4000111.9
278S24.5Very low27.2Very low86 Ų86117.1 Ų117.160%0.60168%0.677SS**  trans70.7167137.5810000115.1
279K25.3Very low27.1Very low172 Ų172119.1 Ų119.175%0.74869%0.689SS**  cis-157.1149.228.9-117.7136.2-160.3127.60108.2
280V26.6Very low27.3Very low123 Ų123117 Ų11775%0.74569%0.692SS**  trans66.7135.6143.2172.10000115.5L282V280-L282 HydrophobicContact CG1-CG 4.31Å
281A28.8Very low27.3Very low81 Ų81114.4 Ų114.467%0.66969%0.692SS**  cis-121.4125.324.600000112.5
282L30.8Very low27.8Very low142 Ų142114.1 Ų114.174%0.74369%0.692SS**  88.6143.890.2-69178.4000112V280V280-L282 HydrophobicContact CG1-CG 4.31Å
283P28.7Very low27.7Very low97 Ų97115.2 Ų115.263%0.6370%0.695SS**  -139.5-157-71.231.4-8.4000111.4
284L28.6Very low27.8Very low141 Ų141113.6 Ų113.674%0.73870%0.695SS**  trans71.692.1156.9-63.9168.6000114.7
285T26.6Very low27.8Very low116 Ų116114.8 Ų114.871%0.71271%0.706SS**  67.6140.683.661.80000113.5
286S26.1Very low27.9Very low95 Ų95111.9 Ų111.966%0.66471%0.705SS**  cis169.7161.8-10.7540000105.2
287A27.7Very low28Very low86 Ų86113.2 Ų113.271%0.71172%0.719SS**  trans65.3167.4149.400000116.1
288T26Very low28.2Very low111 Ų111110.3 Ų110.368%0.68172%0.719SS**  cis-165.6155.6-32.3-88.70000106.4
289T26.3Very low28.5Very low130 Ų130111.8 Ų111.880%0.79873%0.73SS**  trans63.6164.9166.542.50000118.6
290A30.8Very low28.7Very low87 Ų87114.7 Ų114.772%0.71974%0.736SS**  trans62.8113.2153.100000116.6
291A28.7Very low29.5Very low91 Ų91113.2 Ų113.275%0.75273%0.729SS**  cis55.8135.621.700000115.2
292P37.7Very low29.7Very low109 Ų109114.8 Ų114.871%0.70873%0.732SS**  cis-135.5-178.7-15.141.8-25.5000114.2
293A28Very low29.5Very low94 Ų94114.4 Ų114.478%0.77773%0.731SS**  trans63.3-164.6147.800000117.8
294T27.3Very low29.6Very low116 Ų116115.9 Ų115.971%0.71274%0.738SS**  trans68.274.6173.124.70000118.3
295T27.5Very low29.5Very low131 Ų131116.2 Ų116.280%0.80474%0.739SS**  83150.6112.248.30000122.2
296A28.7Very low29.6Very low71 Ų71113.7 Ų113.759%0.58774%0.736SS**  trans84.5108.114000000119.4
297N28Very low29.7Very low169 Ų169115.4 Ų115.490%0.90474%0.743SS**  66.3135.7118.8-51.6-15.2000119.2
298G30.2Very low29.7Very low68 Ų68114.9 Ų114.970%0.70174%0.738SS**  trans135.759.8-177.800000110.7
299S30.8Very low29.7Very low117 Ų117115.5 Ų115.582%0.81874%0.742SS**  88.176.584.570.10000114.2
300R29.2Very low29.8Very low233 Ų233114.3 Ų114.388%0.87974%0.735SS**  trans-23.3162.9132.5-159.5-147.7-179.2-166.1-0114.4
301P42.8Very low29.6Very low93 Ų93117.3 Ų117.360%0.60474%0.739SS**  -90.3-148.5-86.132.4-10000110
302P33.6Very low29.5Very low113 Ų113123 Ų12373%0.73474%0.741SS**  -147.6173.878.841.2-23.7000116
303D27.3Very low29.1Very low135 Ų135124.1 Ų124.172%0.72274%0.741SS**  trans-71.8139.6169.3-45.1-103.4000113.2
304T28.9Very low29Very low127 Ų127126.9 Ų126.978%0.77974%0.741SS**  trans-154.9114.81485.40000106.2
305I28.2Very low29.2Very low149 Ų149126.4 Ų126.476%0.76474%0.74SS**  52.697.558.1-49.9-179.3000110
306G28.5Very low29.1Very low63 Ų63125.9 Ų125.965%0.64974%0.736SS**  trans170.865.5-173.600000109.9
307T27Very low28.9Very low130 Ų130128 Ų12880%0.79874%0.742SS**  52134.484.8720000113.9
308A27.6Very low28.8Very low75 Ų75125.3 Ų125.362%0.6274%0.735SS**  cis-172.8-156-12.200000105.9
309T26.6Very low28.6Very low124 Ų124127.1 Ų127.176%0.76174%0.737SS**  trans43.7128141.550.60000119.1
310T28.4Very low28.3Very low105 Ų105126.9 Ų126.964%0.64474%0.736SS**  cis-166.2143.226.26.70000105.8
311D26.9Very low28.1Very low151 Ų151124.9 Ų124.981%0.80773%0.733SS**  cis57.271.243.1-173.429.2000113.2
312R27.4Very low27.3Very low210 Ų210125.9 Ų125.979%0.79274%0.743SS**  trans-153.5115.1165.6-91.8-157.4168.8173.7-2.8114
313L27.9Very low27Very low133 Ų133126.3 Ų126.370%0.69675%0.749SS**  trans69.7132139-51.5172.5000117
314L27.3Very low27.1Very low151 Ų151124 Ų12479%0.79174%0.743SS**  cis67.7148.636.1-53.9176.2000114.1
315P29.6Very low27Very low107 Ų107123.5 Ų123.570%0.69574%0.744SS**  cis-143.8-157.3-3438.3-18.1000112.7
316V25.4Very low27.3Very low119 Ų119126.3 Ų126.372%0.72175%0.751SS**  trans80.797.5146.81650000119.9
317T25.6Very low27.4Very low116 Ų116128.3 Ų128.371%0.71276%0.755SS**  trans45.3134.6131.970.50000123.4
318C25.2Very low27.5Very low112 Ų112130.6 Ų130.676%0.75776%0.757SS**  151.7131.5114.4-87.90000116.2
319S25.6Very low27.3Very low106 Ų106133.1 Ų133.174%0.74177%0.765SS**  trans68.8101.7139-55.80000123.4
320S25Very low27.3Very low112 Ų112134.1 Ų134.178%0.78377%0.765SS**  trans89.8136.6131.778.90000122.5
321K24.4Very low27.3Very low191 Ų191135.9 Ų135.983%0.8377%0.766SS**  trans83.495.4165.3-60.4-171178-176.50120.1
322S27.2Very low27.3Very low115 Ų115139.1 Ų139.180%0.80477%0.767SS**SBendtrans44.4126.6133.459.70000120.6
323S26.5Very low27.4Very low122 Ų122133.7 Ų133.785%0.85377%0.767SS**  cis-135.9157.1-0.149.10000111
324S29.3Very low27.7Very low87 Ų87136.4 Ų136.461%0.60878%0.776SS**  trans-121.6156.8-141.343.50000115.9
325S27.1Very low27.6Very low115 Ų115133.6 Ų133.680%0.80477%0.77SS**  cis-168.5160.1-19.349.40000110
326K35.4Very low27.5Very low208 Ų208133.1 Ų133.190%0.90477%0.774SS**  trans-140.9133.9176.4-87.3-173.7174.8-178.80112.4
327S31.2Very low27.5Very low106 Ų106134.6 Ų134.674%0.74178%0.776SS**  trans177.4159.115547.40000107.5
328E27.2Very low27.5Very low177 Ų177137.5 Ų137.583%0.82778%0.782SS**  cis-152154.3-23.5-95.6160.7119.900103.1
329V25.4Very low27.6Very low129 Ų129136.9 Ų136.978%0.78278%0.777SS**  -158.8119.156167.30000104.2
330N26.4Very low27.6Very low145 Ų145141.4 Ų141.478%0.77578%0.779SS**  76.5147.874.8-159.815.3000113.6
331E27.4Very low27.7Very low141 Ų141143.4 Ų143.466%0.65978%0.778SS**  trans71.8137-174.1-61.2-146.5108.500117.9
332R26.7Very low27.9Very low219 Ų219140.2 Ų140.283%0.82677%0.77SS**  cis-167.490.7-18.5-164.5176-162.3145.8-6.5111.9
333A29.6Very low28Very low97 Ų97139 Ų13980%0.80275%0.754SS**  trans-153.5141.2170.700000114.3
334E34Very low28.1Very low189 Ų189142.1 Ų142.188%0.88375%0.747SS**  trans52.282.2153.3-63.8-179.3-179.700119.7
335S25.9Very low28.1Very low93 Ų93145.4 Ų145.465%0.6575%0.753SS**  trans-52.1146.6139.852.40000111.3
336A27.1Very low28.2Very low96 Ų96144.5 Ų144.579%0.79375%0.747SS**  cis67.651.72600000115.5
337I25.9Very low28Very low150 Ų150140.1 Ų140.177%0.76974%0.737SS**  trans-127.6106154.1-62.6177.8000103.5
338Q24.4Very low28Very low177 Ų177140 Ų14083%0.82773%0.733SS**  cis65.7160.942.3-112.9-150.4-6.800112.1
339P28.7Very low28.3Very low99 Ų99138.7 Ų138.764%0.64373%0.731SS**  -127.9179.4-118.340.6-24.1000114.2
340Y25.1Very low28.8Very low202 Ų202137 Ų13779%0.79273%0.725SS**  trans66.8137.4144.4-126.4-122.5000118.8
341M27.8Very low29.1Very low153 Ų153137.3 Ų137.375%0.75473%0.727SS**  trans65.4152.9171.5-57.4-179.7172.300113.7
342D27.3Very low29.4Very low124 Ų124136.8 Ų136.866%0.66374%0.737SS**  cis-158.2170-11.2-121.2-1.1000105.8
343N29.4Very low29.7Very low89 Ų89132.6 Ų132.648%0.47673%0.731SS.*  cis-167.7157.618.8-134-55.5000107.9
344R28.8Very low30.4Very low188 Ų188133.2 Ų133.271%0.70973%0.727SS**  trans66.5148.1151.8-66.5152.6-150-160.36.8117.8
345Q30.3Very low30.5Very low156 Ų156130.1 Ų130.173%0.72972%0.721SS**  cis-153.3125.5-4-118.5151.4-13.700107.3
346S28Very low31Very low97 Ų97133.9 Ų133.968%0.67873%0.725SS**  67.8135.299.484.30000114.6
347T31.6Very low31.4Very low115 Ų115134.8 Ų134.871%0.70672%0.717SS**  cis-161.2157.333.237.20000114.2
348T31.8Very low32Very low104 Ų104131.6 Ų131.664%0.63871%0.713SS**  trans61.9116.8143.954.70000121
349N32.7Very low32.5Very low149 Ų149130.7 Ų130.780%0.79771%0.714SS**  91.6148.289.7-69.24.2000113.9
350S35.6Very low32.9Very low93 Ų93129.5 Ų129.565%0.6571%0.712SS**  cis-175.6144.2-15.651.60000112.4
351N32.9Very low33.4Very low153 Ų153125.3 Ų125.382%0.81871%0.713SS**  trans46.1126.4151.7-55.70.8000122.7
352C33.7Very low33.7Very low129 Ų129122.7 Ų122.787%0.87271%0.709SS**  166.9130.9105.1-83.30000115.7
353D34.4Very low34.1Very low132 Ų132122 Ų12271%0.70671%0.714SS**  trans-74.5-178.6158.9-82.4-66000111.5
354P42.9Very low34.3Very low109 Ų109122.8 Ų122.871%0.70873%0.726SS**  cis-152.9163.724.344.5-22.8000121.9
355V36Very low34.7Very low125 Ų125118.3 Ų118.376%0.75872%0.724SS**  trans38.2139.2130.7-174.50000122.1
356K36.2Very low34.8Very low171 Ų171116.6 Ų116.674%0.74372%0.724SS**  trans164.3151.8133.1-89.2-178.1160.9-65.20111.3
357D35.8Very low35.1Very low116 Ų116117.3 Ų117.362%0.6273%0.729SS**  cis-160.3163.7-3.9-108.5-22.6000110.3
358A38Very low35.2Very low83 Ų83117 Ų11769%0.68673%0.732SS**  trans66.5150.5156.400000120.3
359D35.3Very low35.3Very low157 Ų157116.8 Ų116.884%0.8474%0.735SS**  cis-172163-20.3-100.6-15.9000107.6
360A36.5Very low35.2Very low74 Ų74115 Ų11561%0.61273%0.734SS**  cis-170169.5-19.100000110.4
361S36.2Very low35Very low115 Ų115115.2 Ų115.280%0.80474%0.735SS**  trans69.8138.2156.5670000120.3
362S34.6Very low35Very low98 Ų98113.1 Ų113.169%0.68573%0.733SS**  cis-166.6144.9-9.7480000114.5
363S34.9Very low34.9Very low108 Ų108112.1 Ų112.176%0.75573%0.727SS**  trans59.3142.1143.960.20000120.7
364S35.1Very low34.9Very low106 Ų106110.1 Ų110.174%0.74172%0.724SS**  cis-169.9-169.5-13.756.40000106.5
365S35.4Very low35.2Very low94 Ų94110.7 Ų110.766%0.65773%0.727SS**  cis-167.6148.47.760000106.9
366T32.4Very low35.6Very low120 Ų120110.4 Ų110.474%0.73673%0.728SS**  cis-169.2168.8-6.810.20000108.2
367S34.4Very low36Very low112 Ų112107.7 Ų107.778%0.78373%0.728SS**  trans66.9159.1167.618.60000115.8
368S34.4Very low36.5Very low108 Ų108106.1 Ų106.176%0.75572%0.724SS**  cis-164.9148.4-11.639.80000109
369S33.6Very low36.8Very low101 Ų101108.1 Ų108.171%0.70673%0.73SS**  cis-168.4146-9.543.40000110.3
370S31.7Very low37.3Very low110 Ų110106 Ų10677%0.76973%0.725SS**  trans59.4143.3154.551.60000120.9
371S31.6Very low37.6Very low98 Ų98108 Ų10869%0.68573%0.732SS**  cis178.6148.6-14.747.30000112.7
372S31.6Very low37.8Very low109 Ų109108.3 Ų108.376%0.76273%0.731SS**  trans60.8155.8151.850.70000120
373S32.4Very low38.1Very low108 Ų108109 Ų10976%0.75573%0.733SS**  cis179.9163.5-1.140.90000108.5
374S33.9Very low38.3Very low91 Ų91109.5 Ų109.564%0.63673%0.734SS**  cis-168.1165-9.8-88.30000110.7
375P48.5Very low38.5Very low121 Ų121110 Ų11079%0.78673%0.734SS**  trans-82.2-167.6173.936.8-38.7000113.4
376P44.8Very low38.3Very low119 Ų119110.2 Ų110.277%0.77374%0.742SS**  cis-124.7-137.94.139.9-17000111.9
377P44.7Very low38.3Very low114 Ų114108.9 Ų108.974%0.7474%0.743SS**  cis-134.6-177.5-14.338-16.1000117.4
378P45.5Very low38.2Very low82 Ų82108.1 Ų108.153%0.53274%0.744SS.*  trans-103.6166.9178.240.6-35.2000115.5D51D51-P378 VanDerWaalsContact OD2-CG 3.24Å; D51-P378 WeakPolarHBondContact OD2-CG 3.29Å
379P45.5Very low38.1Very low126 Ų126107.9 Ų107.982%0.81874%0.742SS**  -154.1-14397.934.5-8.9000114.3
380P45.5Very low37.9Very low113 Ų113110.2 Ų110.273%0.73475%0.747SS**  -119.8173.9-8137.2-20.3000116.8
381P43.1Very low37.9Very low116 Ų116110.8 Ų110.875%0.75375%0.745SS**  trans-92.4-177.2173.339-37.5000113.8
382P41Very low37.9Very low121 Ų121114.4 Ų114.479%0.78675%0.751SS**  cis-120.2-129.5-3.331.9-6.7000110.5
383P39.5Very low37.8Very low112 Ų112115.6 Ų115.673%0.72775%0.753SS**  cis-134.9-177.1-2140.8-21.1000116.7
384P39.7Very low37.7Very low119 Ų119118.5 Ų118.577%0.77376%0.757SS**  trans-109.2-170175.744.1-36.4000113.6
385P39.7Very low37.3Very low115 Ų115119 Ų11975%0.74777%0.767SS**  cis-129.4-175.2-15.142.1-26.5000115
386A31.8Very low36.4Very low100 Ų100116.6 Ų116.683%0.82676%0.764SS**  trans67.5157.5153.700000119.8
387A31.6Very low35.6Very low92 Ų92115.9 Ų115.976%0.7677%0.768SS**  cis-167.1161.6-26.200000111.2
388A31.1Very low34.8Very low96 Ų96115.6 Ų115.679%0.79378%0.776SS**  trans58.9118.4156.600000121.6
389S33.3Very low33.9Very low103 Ų103116.3 Ų116.372%0.7278%0.782SS**  -165.9114.911662.40000111.4
390D28.4Very low33.1Very low150 Ų150112.3 Ų112.380%0.80276%0.76SS**  40.7138126.2-41.6-48.9000119.5
391V33.3Very low32.3Very low121 Ų121109 Ų10973%0.73375%0.746SS**  -149.7142.959.81610000112.9
392E30.8Very low31.6Very low174 Ų174108.2 Ų108.281%0.81374%0.736SS**  trans13.8144.1147.8-48.4177.8123.600119.9
393V29.7Very low31Very low134 Ų134112.7 Ų112.781%0.81274%0.737SS**  cis-144154.643.1178.30000113.2
394M29.5Very low30.5Very low169 Ų169115.9 Ų115.983%0.83374%0.742SS**  trans-56.6153174.8-62.4178.8-76.600113.9
395A26.7Very low29.9Very low102 Ų102114.8 Ų114.884%0.84374%0.737SS**  cis76.77430.900000115.5
396G29.4Very low29.4Very low71 Ų71115.5 Ų115.573%0.73274%0.739SS**  trans168.4108.6169.200000110.2
397A28.5Very low29.5Very low103 Ų103117.1 Ų117.185%0.85174%0.739SS**  86.9151.160.800000113.5
398A28.1Very low29.3Very low109 Ų109116.8 Ų116.890%0.90174%0.736SS**  trans71.3139.8-17400000116.9
399S26.6Very low29.4Very low96 Ų96117.6 Ų117.667%0.67173%0.733SS**  trans-87.7171.2179.451.60000112.6
400A28.6Very low29.2Very low43 Ų43121.2 Ų121.236%0.35574%0.739SS.*  trans82.4129149.500000119.6S1675 P1676 V1677A400-S1675 WeakPolarHBondContact CA-OG 3.43Å; A400-S1675 VanDerWaalsContact CB-CA 3.49Å; A400-S1675 VanDerWaalsContact CB-CB 3.43Å; A400-S1675 WeakPolarHBondContact CB-OG 3.39Å; A400-P1676 HydrophobicContact CB-CB 3.85Å; A400-V1677 WeakPolarHBondContact O-CG2 3.41Å
401G28.5Very low29.5Very low43 Ų43119.3 Ų119.344%0.44373%0.734SS.*  cis155.7176.4-8.200000113.7P1676G401-P1676 WeakPolarHBondContact O-CB 3.47Å
402D28.3Very low29.3Very low99 Ų99118.7 Ų118.753%0.52974%0.742SS.*  trans67.6138.6171.6-104.615.5000122.3P1676D402-P1676 HydrophobicContact CB-CB 4.37Å; D402-P1676 HydrophobicContact CB-CG 3.48Å; D402-P1676 VanDerWaalsContact CB-CG 3.48Å
403R28.7Very low29.3Very low215 Ų215114 Ų11481%0.81174%0.74SS**  trans65140.7151.8-67.3167.3158.1116.6-7.8115.1
404E28.3Very low29.3Very low180 Ų180112.5 Ų112.584%0.84174%0.736SS**  cis-141165.526.7-78.4-172.5137.600110.3
405S27.9Very low29.3Very low95 Ų95111.4 Ų111.466%0.66473%0.734SS**  cis-172.8-172.9-9.651.80000109.7
406V28.9Very low29.4Very low130 Ų130111.7 Ų111.779%0.78873%0.729SS**  trans72.8124.9160.8173.70000116.1
407V32.7Very low29.4Very low135 Ų135113.3 Ų113.382%0.81873%0.729SS**  cis-155.5165.2-1.9112.20000111.8
408A27.9Very low29.4Very low84 Ų84113.5 Ų113.569%0.69473%0.725SS**  trans-93.2-157.5177.400000111.6
409P33.4Very low29.3Very low114 Ų114112.8 Ų112.874%0.7472%0.719SS**  cis-114.4179.4-3.739.3-20.9000112.5
410Q28.9Very low29.3Very low179 Ų179113.6 Ų113.684%0.83672%0.724SS**  cis63.3152.943.2-96-160.710.600115.4
411P35.2Very low29.1Very low109 Ų109117 Ų11771%0.70874%0.74SS**  cis-138.2-169.7-5.842.9-24.7000115.7
412A29.1Very low28.9Very low108 Ų108120.6 Ų120.689%0.89375%0.754SS**  trans59.1146.2159.300000118.5
413G30Very low28.7Very low76 Ų76120.5 Ų120.578%0.78476%0.757SS**  cis153168.820.500000105.8
414S30.9Very low28.6Very low103 Ų103114.4 Ų114.472%0.7275%0.747SS**  cis-163168.2-2.456.40000110.7
415N29.2Very low28.5Very low146 Ų146111.7 Ų111.778%0.78175%0.748SS**  trans77.6129.1156.7-62.1-11.3000124
416S29.1Very low28.4Very low107 Ų107110.3 Ų110.375%0.74874%0.737SS**  trans77.9115.213952.10000124.7
417S28.4Very low28.2Very low105 Ų105110.5 Ų110.573%0.73473%0.733SS**  trans79.8128.4131.857.80000124.3
418S29.5Very low27.8Very low108 Ų108109.4 Ų109.476%0.75573%0.727SS**  trans64.4101.2140.759.80000122.3
419A25.8Very low27.6Very low94 Ų94114.3 Ų114.378%0.77773%0.733SS**  72.2146.112900000121.9
420S25.7Very low27.2Very low112 Ų112116.2 Ų116.278%0.78374%0.737SS**  trans78.7144.5165.583.20000119.2
421T23.8Very low27Very low114 Ų114113 Ų11370%0.69974%0.741SS**  trans1119.2153.323.80000121
422T24.9Very low26.5Very low120 Ų120111.2 Ų111.274%0.73674%0.743SS**  57.2159123.759.40000122.8
423V24.1Very low26.4Very low97 Ų97110.4 Ų110.459%0.58874%0.736SS**  trans84.4144158-149.10000118.1M491V423-M491 HydrophobicContact CG1-SD 4.06Å
424S27.4Very low26.3Very low87 Ų87113.4 Ų113.461%0.60874%0.739SS**  trans66115.5149.849.80000121
425S25.7Very low26.1Very low122 Ų122112.7 Ų112.785%0.85375%0.748SS**  -95.7124.9119.3-610000108.5
426P25.7Very low26.1Very low66 Ų66109.3 Ų109.343%0.42975%0.748SS.*  trans-90.7-159.3163.539.2-32.7000109
427N25.5Very low26.2Very low134 Ų134110.5 Ų110.572%0.71775%0.753SS**  trans70.2150.6156.9-75.10.4000114.9
428V24.5Very low26.2Very low113 Ų113110.1 Ų110.169%0.68576%0.756SS**  cis170.1147-9.5126.30000102.8N430V428-N430 PolarHBondContact O-N 2.6Å
429F23Very low26.1Very low186 Ų186110.8 Ų110.882%0.81676%0.755SS**  trans-9.3119.5154-79.7-111.4000117.1
430N25.5Very low26.3Very low154 Ų154113 Ų11382%0.82475%0.754SS**  -168.3102.5120.6-101.2-27.5000112.6V428 G432V428-N430 PolarHBondContact O-N 2.6Å; N430-G432 PolarHBondContact O-N 2.88Å
431A24.9Very low26.4Very low111 Ų111112.7 Ų112.792%0.91775%0.747SS**  trans-74.5112.2150.500000107.1
432G24.6Very low26.6Very low73 Ų73115.2 Ų115.275%0.75376%0.756SS**  trans-129.518.8-160.100000116.8N430N430-G432 PolarHBondContact O-N 2.88Å
433A25.9Very low26.9Very low91 Ų91113.3 Ų113.375%0.75276%0.76SS**  trans-165.4134.3175.500000110.3
434T27.1Very low27.1Very low138 Ų138118.2 Ų118.285%0.84777%0.774SS**  cis-156.7122.2-12.232.90000109.9
435G28.8Very low27.1Very low88 Ų88121.8 Ų121.891%0.90778%0.781SS**  trans73.3132.7150.300000120.3
436G28Very low27.2Very low75 Ų75121 Ų12177%0.77377%0.774SS**  trans126.2111.6164.600000114.4
437P31.9Very low27.3Very low132 Ų132125.4 Ų125.486%0.85779%0.793SS**  trans-97.2177.6-177.238.2-35.8000114.4
438A28Very low27.4Very low97 Ų97126.2 Ų126.280%0.80280%0.797SS**  trans95.1141.3161.800000118.8
439V28.2Very low27.6Very low122 Ų122125.4 Ų125.474%0.73979%0.794SS**  cis-166.3153.2-27.3820000110.5
440L28.1Very low27.9Very low142 Ų142122.2 Ų122.274%0.74379%0.793SS**  trans59.6117.5167.2-57173.2000117.6
441T28.9Very low28.3Very low105 Ų105118.5 Ų118.564%0.64477%0.772SS**  cis87.5110.342.8670000116.4
442N29Very low29.1Very low166 Ų166118 Ų11889%0.88876%0.758SS**  161.7142.3112.9-84.7-31.6000113.7
443G31.1Very low30Very low80 Ų80116.8 Ų116.883%0.82574%0.737SS**  trans15453.5174.600000115.7
444F26.6Very low30.7Very low201 Ų201115.1 Ų115.188%0.88271%0.714SS**  trans-87.2140.6-179.8-109.5-96.8000112.8
445E29.3Very low32Very low161 Ų161115.4 Ų115.475%0.75270%0.701SS**  trans-149.1148.2136.3-113.2-178.8168.400108.9
446P25.9Very low33Very low107 Ų107112.6 Ų112.670%0.69567%0.666SS**  trans-94.6113.1-158.534.4-33000113.9
447N28.4Very low34.2Very low158 Ų158114.4 Ų114.485%0.84565%0.654SS**PPolyproline II helixtrans-95.2134.7161.9-86.3-64.1000110.6
448L27.8Very low35.4Very low151 Ų151108.4 Ų108.479%0.79162%0.615SS**PPolyproline II helixtrans-64.6150.5-169-77.265000112.5C450L448-C450 PolarHBondContact O-N 2.88Å
449P28.7Very low36.6Very low96 Ų96107.5 Ų107.562%0.62360%0.597SS**PPolyproline II helixtrans-60.312116427.4-33.2000108.9M451P449-M451 HydrophobicContact CB-CE 4.35Å; P449-M451 HydrophobicContact CB-CG 4.46Å; P449-M451 HydrophobicContact CG-CE 4.28Å; P449-M451 HydrophobicContact CG-CG 4.46Å; P449-M451 PolarHBondContact O-N 2.8Å
450C29.3Very low37.9Very low119 Ų119108.8 Ų108.880%0.80460%0.599SS**  trans-74.372.3178.256.20000110.7L448 T452L448-C450 PolarHBondContact O-N 2.88Å; C450-T452 VanDerWaalsContact C-N 3.33Å; C450-T452 PolarHBondContact O-N 3.1Å
451M34.8Very low39.4Very low76 Ų76105.4 Ų105.437%0.37460%0.599SS.*  trans-62.587177.4-67.1-63.4-164.300110.5P449 P453 V484 E486P449-M451 HydrophobicContact CB-CE 4.35Å; P449-M451 HydrophobicContact CB-CG 4.46Å; P449-M451 HydrophobicContact CG-CE 4.28Å; P449-M451 HydrophobicContact CG-CG 4.46Å; P449-M451 PolarHBondContact O-N 2.8Å; M451-P453 WeakPolarHBondContact O-CD 3.47Å; M451-P453 VanDerWaalsContact O-N 3.16Å; M451-V484 HydrophobicContact CB-CG1 3.98Å; M451-V484 HydrophobicContact CE-CG1 3.98Å; M451-V484 HydrophobicContact CG-CG1 3.78Å; M451-V484 HydrophobicContact SD-CG1 3.5Å; M451-V484 VanDerWaalsContact SD-CG1 3.5Å; M451-E486 HydrophobicContact CE-CG 4.36Å
452T41Very low40.6Very low101 Ų101105.3 Ų105.362%0.6259%0.591SS**  trans-62.1111.4176.137.50000109.6C450 I454C450-T452 VanDerWaalsContact C-N 3.33Å; C450-T452 PolarHBondContact O-N 3.1Å; T452-I454 PolarHBondContact O-N 2.84Å
453P42.9Very low41.8Very low47 Ų47101 Ų10131%0.30557%0.57SS.*  trans-74.1122.1-175.528.6-32.4000110.5M451 Y455 R482 M483M451-P453 WeakPolarHBondContact O-CD 3.47Å; M451-P453 VanDerWaalsContact O-N 3.16Å; P453-Y455 HydrophobicContact CB-CD2 4.33Å; P453-Y455 HydrophobicContact CB-CE2 3.75Å; P453-Y455 HydrophobicContact CG-CD2 4.35Å; P453-Y455 HydrophobicContact CG-CE2 3.47Å; P453-Y455 VanDerWaalsContact CG-CE2 3.47Å; P453-R482 HydrophobicContact CB-CG 3.79Å; P453-M483 WeakPolarHBondContact CA-O 3.36Å
454I41.5Very low42.9Very low56 Ų56100.2 Ų100.229%0.28755%0.547SS..EExtended strand (participates in β ladder)trans-76.1130.5159.2-67.3-178.1000107.3T452 V456 R482 M483 P490 P492T452-I454 PolarHBondContact O-N 2.84Å; I454-V456 HydrophobicContact CG2-CG2 3.84Å; I454-R482 CarbonylContact O-C 3.59Å; I454-M483 HydrophobicContact CB-CB 4.23Å; I454-M483 PolarHBondContact N-O 2.87Å; I454-M483 WeakPolarHBondContact O-CB 3.43Å; I454-M483 PolarHBondContact O-N 3.1Å; I454-P490 HydrophobicContact CD1-CB 4.08Å; I454-P490 HydrophobicContact CD1-CG 3.79Å; I454-P490 WeakPolarHBondContact CD1-O 3.31Å; I454-P490 HydrophobicContact CG1-CG 4.09Å; I454-P492 HydrophobicContact CG2-CB 4.42Å
455Y53.1Low44.3Very low143 Ų14393.4 Ų93.456%0.56153%0.525SS*.EExtended strand (participates in β ladder)trans-107.6108.6171.9-66.7-82.1000108.8P453 T480 V481 R482P453-Y455 HydrophobicContact CB-CD2 4.33Å; P453-Y455 HydrophobicContact CB-CE2 3.75Å; P453-Y455 HydrophobicContact CG-CD2 4.35Å; P453-Y455 HydrophobicContact CG-CE2 3.47Å; P453-Y455 VanDerWaalsContact CG-CE2 3.47Å; Y455-T480 HydrophobicContact CD1-CG2 4.02Å; Y455-T480 HydrophobicContact CG-CG2 4.43Å; Y455-V481 WeakPolarHBondContact CA-O 3.5Å; Y455-R482 HydrophobicContact CD1-CB 4.09Å; Y455-R482 HydrophobicContact CE1-CB 3.83Å; Y455-R482 HydrophobicContact CE1-CG 4.01Å
456V49.6Very low45.4Very low29 Ų2986.1 Ų86.118%0.17649%0.491CS..EExtended strand (participates in β ladder)trans-94.4108.8176.5-164.70000109.1I454 V458 L464 V481 M483 P492 S494I454-V456 HydrophobicContact CG2-CG2 3.84Å; V456-V458 PolarHBondContact O-N 2.87Å; V456-L464 HydrophobicContact CG1-CD2 4.22Å; V456-V481 PolarHBondContact N-O 2.83Å; V456-V481 PolarHBondContact O-N 2.86Å; V456-M483 HydrophobicContact CG2-SD 3.54Å; V456-M483 VanDerWaalsContact CG2-SD 3.54Å; V456-P492 HydrophobicContact CG2-CB 3.49Å; V456-P492 VanDerWaalsContact CG2-CB 3.49Å; V456-S494 VanDerWaalsContact CB-OG 3.3Å; V456-S494 WeakPolarHBondContact CB-OG 3.16Å; V456-S494 WeakPolarHBondContact CG1-OG 3.31Å
457H53.3Low46.7Very low113 Ų11389 Ų8952%0.52349%0.488SS..EExtended strand (participates in β ladder)trans-86.6100.7177.4-156.7-78.6000109.9N459 T480H457-N459 PolarHBondContact ND1-OD1 3.34Å; H457-T480 PolarHBondContact CD2-OG1 2.55Å; H457-T480 PolarHBondContact NE2-OG1 2.78Å
458V59Low47.9Very low6 Ų685.5 Ų85.54%0.03647%0.472CS..EExtended strand (participates in β ladder)trans-84.3123.6171.5-167.50000107.6V456 Q462 P476 G477 P478 A479 S494V456-V458 PolarHBondContact O-N 2.87Å; V458-Q462 HydrophobicContact CG1-CB 3.57Å; V458-Q462 WeakPolarHBondContact CG1-O 3.16Å; V458-P476 WeakPolarHBondContact CB-O 3.47Å; V458-P476 WeakPolarHBondContact CG1-O 3.14Å; V458-G477 WeakPolarHBondContact O-CA 3.48Å; V458-P478 VanDerWaalsContact O-CA 3.28Å; V458-P478 WeakPolarHBondContact O-CA 3.49Å; V458-A479 PolarHBondContact N-O 3.01Å; V458-A479 PolarHBondContact O-N 3.48Å; V458-S494 WeakPolarHBondContact CG2-OG 3.26Å
459N52.2Low49.6Very low78 Ų7881 Ų8142%0.41746%0.462SS..PPolyproline II helixtrans-80.6164.3-178.8-59.3-64.1000112H457 G461 Q462 G477H457-N459 PolarHBondContact ND1-OD1 3.34Å; N459-G461 PolarHBondContact O-N 2.99Å; N459-Q462 HydrophobicContact CB-CG 4.29Å; N459-Q462 VanDerWaalsContact N-OE1 3.1Å; N459-Q462 PolarHBondContact ND2-OE1 3.11Å; N459-Q462 WeakPolarHBondContact O-CB 3.16Å; N459-Q462 PolarHBondContact O-N 2.81Å; N459-G477 WeakPolarHBondContact O-CA 3.35Å
460L55.8Low50.8Low149 Ų14983.2 Ų83.278%0.7847%0.469SS*.THydrogen-bonded Turntrans-53.6121.8173.4179.368.4000110.1P478L460-P478 HydrophobicContact CD1-CG 4.44Å
461G59.9Low51.6Low72 Ų7283.6 Ų83.674%0.74246%0.463SS*.THydrogen-bonded Turntrans84.2-0.3-177.200000115.7N459N459-G461 PolarHBondContact O-N 2.99Å
462Q52.7Low52.3Low102 Ų10285.1 Ų85.148%0.47747%0.471SS..  trans-92.1163.4166.7-68.5-177.8-32.100111.2V458 N459 G477V458-Q462 HydrophobicContact CG1-CB 3.57Å; V458-Q462 WeakPolarHBondContact CG1-O 3.16Å; N459-Q462 HydrophobicContact CB-CG 4.29Å; N459-Q462 VanDerWaalsContact N-OE1 3.1Å; N459-Q462 PolarHBondContact ND2-OE1 3.11Å; N459-Q462 WeakPolarHBondContact O-CB 3.16Å; N459-Q462 PolarHBondContact O-N 2.81Å; Q462-G477 PolarHBondContact O-N 2.76Å
463T54.9Low52.9Low75 Ų7585.3 Ų85.346%0.4647%0.465SS..EExtended strand (participates in β ladder)trans-149.4121.1178-700000108.1I475 N496T463-I475 CarbonylContact C-O 3.53Å; T463-I475 WeakPolarHBondContact CA-O 3.46Å; T463-I475 WeakPolarHBondContact CG2-O 3.38Å; T463-N496 PolarHBondContact OG1-OD1 2.76Å
464L55.1Low53.9Low64 Ų6489.1 Ų89.134%0.33548%0.478SS..EExtended strand (participates in β ladder)trans-86.4164164-16451000109.2V456 L466 I475 S494V456-L464 HydrophobicContact CG1-CD2 4.22Å; L464-L466 HydrophobicContact CB-CD2 4.3Å; L464-L466 HydrophobicContact CD2-CD2 4.49Å; L464-L466 HydrophobicContact CG-CD2 4.06Å; L464-I475 HydrophobicContact CB-CG2 4.08Å; L464-I475 PolarHBondContact N-O 2.99Å; L464-I475 CarbonylContact O-C 3.56Å; L464-I475 VanDerWaalsContact O-CA 3.29Å; L464-I475 WeakPolarHBondContact O-CA 3.5Å; L464-I475 WeakPolarHBondContact O-CB 3.38Å; L464-I475 WeakPolarHBondContact O-CG2 3.37Å; L464-I475 PolarHBondContact O-N 2.92Å; L464-I475 VanDerWaalsContact O-O 3.1Å; L464-S494 VanDerWaalsContact CD2-OG 3.22Å; L464-S494 WeakPolarHBondContact CD2-OG 3.49Å
465S55.5Low54.6Low59 Ų5986.6 Ų86.641%0.41347%0.466SS..EExtended strand (participates in β ladder)trans-136.2122.6-177.8-60.60000109.2H474S465-H474 PolarHBondContact OG-CE1 3.07Å; S465-H474 PolarHBondContact OG-ND1 2.76Å
466L52Low54.9Low8 Ų880.6 Ų80.64%0.04244%0.444CS..EExtended strand (participates in β ladder)trans-108.6127.8-163.6-49.4-152.5000110.5L464 I472 Q473 I475 L493 S494L464-L466 HydrophobicContact CB-CD2 4.3Å; L464-L466 HydrophobicContact CD2-CD2 4.49Å; L464-L466 HydrophobicContact CG-CD2 4.06Å; L466-I472 CarbonylContact O-C 3.45Å; L466-I472 WeakPolarHBondContact O-CA 3.45Å; L466-Q473 HydrophobicContact CB-CB 4.18Å; L466-Q473 PolarHBondContact N-O 3.22Å; L466-Q473 PolarHBondContact O-N 3.25Å; L466-I475 HydrophobicContact CD1-CD1 3.53Å; L466-I475 HydrophobicContact CD2-CB 4.13Å; L466-I475 HydrophobicContact CD2-CD1 4.49Å; L466-I475 HydrophobicContact CD2-CG2 3.57Å; L466-I475 HydrophobicContact CG-CB 4.12Å; L466-I475 HydrophobicContact CG-CD1 3.65Å; L466-I475 HydrophobicContact CG-CG1 4.34Å; L466-I475 HydrophobicContact CG-CG2 4.01Å; L466-L493 HydrophobicContact CB-CD1 4.33Å; L466-L493 HydrophobicContact CB-CD2 3.88Å; L466-L493 HydrophobicContact CB-CG 3.63Å; L466-L493 HydrophobicContact CD1-CB 3.91Å; L466-L493 HydrophobicContact CD1-CD2 3.71Å; L466-L493 HydrophobicContact CD1-CG 3.56Å; L466-L493 HydrophobicContact CD2-CB 4.09Å; L466-L493 HydrophobicContact CD2-CG 3.77Å; L466-L493 HydrophobicContact CG-CB 4.39Å; L466-L493 HydrophobicContact CG-CD2 4.28Å; L466-L493 HydrophobicContact CG-CG 3.78Å; L466-S494 VanDerWaalsContact CD1-O 3.24Å; L466-S494 WeakPolarHBondContact CD1-O 3.42Å; L466-S494 VanDerWaalsContact CD2-N 3.34Å
467R53.9Low54.8Low167 Ų16779.6 Ų79.663%0.6344%0.44SS*.EExtended strand (participates in β ladder)trans-96.7116168.2-171.2170.6-177.2171.22.9110.1G469 D470R467-G469 WeakPolarHBondContact CG-O 3.31Å; R467-G469 PolarHBondContact NE-O 2.92Å; R467-D470 IonicContact NH2-OD1 2.68Å; R467-D470 PolarHBondContact NH2-OD1 2.92Å
468V53.1Low54.9Low85 Ų8578.7 Ų78.752%0.51544%0.444SS..EExtended strand (participates in β ladder)trans-119.595.3173.2-176.70000107.4D470 N471 L493V468-D470 PolarHBondContact O-N 2.91Å; V468-N471 PolarHBondContact N-O 2.83Å; V468-N471 PolarHBondContact O-N 2.85Å; V468-N471 VanDerWaalsContact O-N 3.16Å; V468-L493 HydrophobicContact CG2-CD2 4.1Å
469G64Low54.5Low56 Ų5679 Ų7958%0.57745%0.447SS*.THydrogen-bonded Turntrans62.2-121.8-167.600000111R467R467-G469 WeakPolarHBondContact CG-O 3.31Å; R467-G469 PolarHBondContact NE-O 2.92Å
470D54.3Low54.3Low143 Ų14379.1 Ų79.177%0.76545%0.451SS*.THydrogen-bonded Turntrans-92.7-3.8177.3-63.5-45000114.1R467 V468R467-D470 IonicContact NH2-OD1 2.68Å; R467-D470 PolarHBondContact NH2-OD1 2.92Å; V468-D470 PolarHBondContact O-N 2.91Å
471N44.5Very low54Low127 Ų12773.3 Ų73.368%0.67942%0.422SS*.EExtended strand (participates in β ladder)trans-89.6133.9176.1-70.7-62.7000111.3V468V468-N471 PolarHBondContact N-O 2.83Å; V468-N471 PolarHBondContact O-N 2.85Å; V468-N471 VanDerWaalsContact O-N 3.16Å
472I50.3Low53.5Low108 Ų10877.2 Ų77.255%0.55441%0.414SS*.EExtended strand (participates in β ladder)trans-102.9114.2168.4-58177.2000108.9L466L466-I472 CarbonylContact O-C 3.45Å; L466-I472 WeakPolarHBondContact O-CA 3.45Å
473Q54.2Low53.2Low105 Ų10573.2 Ų73.249%0.49140%0.395SS..EExtended strand (participates in β ladder)trans-97.1105.8176.4-151.7172.62500108.4L466 I475L466-Q473 HydrophobicContact CB-CB 4.18Å; L466-Q473 PolarHBondContact N-O 3.22Å; L466-Q473 PolarHBondContact O-N 3.25Å; Q473-I475 HydrophobicContact CB-CD1 3.93Å; Q473-I475 HydrophobicContact CG-CD1 3.68Å; Q473-I475 HydrophobicContact CG-CG1 4.27Å
474H63.1Low52.7Low126 Ų12673.3 Ų73.358%0.58340%0.396SS*.EExtended strand (participates in β ladder)trans-81.4129-179.7-81.4-65.7000111.5S465 P476S465-H474 PolarHBondContact OG-CE1 3.07Å; S465-H474 PolarHBondContact OG-ND1 2.76Å; H474-P476 WeakPolarHBondContact O-CD 3.47Å
475I55.4Low51.9Low4 Ų472 Ų722%0.02139%0.392CS..EExtended strand (participates in β ladder)trans-138.2105.5-145.2-104.3178.7000114.3T463 L464 L466 Q473 S494 M495 N496T463-I475 CarbonylContact C-O 3.53Å; T463-I475 WeakPolarHBondContact CA-O 3.46Å; T463-I475 WeakPolarHBondContact CG2-O 3.38Å; L464-I475 HydrophobicContact CB-CG2 4.08Å; L464-I475 PolarHBondContact N-O 2.99Å; L464-I475 CarbonylContact O-C 3.56Å; L464-I475 VanDerWaalsContact O-CA 3.29Å; L464-I475 WeakPolarHBondContact O-CA 3.5Å; L464-I475 WeakPolarHBondContact O-CB 3.38Å; L464-I475 WeakPolarHBondContact O-CG2 3.37Å; L464-I475 PolarHBondContact O-N 2.92Å; L464-I475 VanDerWaalsContact O-O 3.1Å; L466-I475 HydrophobicContact CD1-CD1 3.53Å; L466-I475 HydrophobicContact CD2-CB 4.13Å; L466-I475 HydrophobicContact CD2-CD1 4.49Å; L466-I475 HydrophobicContact CD2-CG2 3.57Å; L466-I475 HydrophobicContact CG-CB 4.12Å; L466-I475 HydrophobicContact CG-CD1 3.65Å; L466-I475 HydrophobicContact CG-CG1 4.34Å; L466-I475 HydrophobicContact CG-CG2 4.01Å; Q473-I475 HydrophobicContact CB-CD1 3.93Å; Q473-I475 HydrophobicContact CG-CD1 3.68Å; Q473-I475 HydrophobicContact CG-CG1 4.27Å; I475-S494 WeakPolarHBondContact CD1-O 3.44Å; I475-S494 VanDerWaalsContact CG2-O 3.26Å; I475-S494 WeakPolarHBondContact CG2-O 3.11Å; I475-M495 HydrophobicContact CD1-CB 4.01Å; I475-M495 HydrophobicContact CD1-CE 4.32Å; I475-M495 HydrophobicContact CD1-CG 3.71Å; I475-M495 HydrophobicContact CG1-CB 4.25Å; I475-M495 HydrophobicContact CG1-CG 3.95Å; I475-N496 VanDerWaalsContact C-CA 3.42Å
476P60.7Low51.4Low16 Ų1677.9 Ų77.910%0.10441%0.413CS..EExtended strand (participates in β ladder)trans-46.6164.5175.5-33.5000125V458 H474 M495 N496 V497V458-P476 WeakPolarHBondContact CB-O 3.47Å; V458-P476 WeakPolarHBondContact CG1-O 3.14Å; H474-P476 WeakPolarHBondContact O-CD 3.47Å; P476-M495 CarbonylContact O-C 3.56Å; P476-M495 VanDerWaalsContact O-O 3.05Å; P476-N496 WeakPolarHBondContact CA-OD1 3.43Å; P476-N496 HydrophobicContact CB-CB 2.31Å; P476-N496 WeakPolarHBondContact CB-ND2 3.29Å; P476-N496 WeakPolarHBondContact CB-OD1 3.21Å; P476-N496 WeakPolarHBondContact CD-O 3.46Å; P476-N496 HydrophobicContact CG-CB 2.28Å; P476-N496 WeakPolarHBondContact CG-ND2 3.22Å; P476-N496 WeakPolarHBondContact CG-O 3.2Å; P476-N496 VanDerWaalsContact O-CA 3.23Å; P476-N496 WeakPolarHBondContact O-CA 3.45Å; P476-N496 PolarHBondContact O-N 3.21Å; P476-V497 WeakPolarHBondContact CB-O 3.44Å
477G47.8Very low50.7Low9 Ų982.8 Ų82.89%0.09344%0.435CS..SBendtrans-135.2162.8152.200000110.9V458 N459 Q462V458-G477 WeakPolarHBondContact O-CA 3.48Å; N459-G477 WeakPolarHBondContact O-CA 3.35Å; Q462-G477 PolarHBondContact O-N 2.76Å
478P55.4Low49.9Very low93 Ų9382 Ų8260%0.60444%0.444SS*.SBendcis-76.9121.510.331.3-33.7000111.5V458 L460V458-P478 VanDerWaalsContact O-CA 3.28Å; V458-P478 WeakPolarHBondContact O-CA 3.49Å; L460-P478 HydrophobicContact CD1-CG 4.44Å
479A49.2Very low49.1Very low14 Ų1483.2 Ų83.212%0.11645%0.454CS..EExtended strand (participates in β ladder)trans-156.3128.2-178.700000111.1V458 M495V458-A479 PolarHBondContact N-O 3.01Å; V458-A479 PolarHBondContact O-N 3.48Å; A479-M495 WeakPolarHBondContact CB-O 3.46Å
480T48.8Very low47.6Very low79 Ų7981.7 Ų81.749%0.48543%0.433SS..EExtended strand (participates in β ladder)trans-99.1112.2169.5-51.70000108.2Y455 H457Y455-T480 HydrophobicContact CD1-CG2 4.02Å; Y455-T480 HydrophobicContact CG-CG2 4.43Å; H457-T480 PolarHBondContact CD2-OG1 2.55Å; H457-T480 PolarHBondContact NE2-OG1 2.78Å
481V50.2Low46.6Very low28 Ų2879.8 Ų79.817%0.1742%0.421CS..EExtended strand (participates in β ladder)trans-105.8115.1-179.8171.40000110.6Y455 V456 M483 S494 M495Y455-V481 WeakPolarHBondContact CA-O 3.5Å; V456-V481 PolarHBondContact N-O 2.83Å; V456-V481 PolarHBondContact O-N 2.86Å; V481-M483 HydrophobicContact CG1-CG 4.1Å; V481-S494 VanDerWaalsContact CG2-C 3.5Å; V481-M495 HydrophobicContact CG2-CB 3.67Å
482R49.2Very low45.9Very low154 Ų15477.1 Ų77.158%0.58141%0.411SS*.EExtended strand (participates in β ladder)trans-67.1137.1167.8-178.5-176178.8-162.60.5108.9P453 I454 Y455P453-R482 HydrophobicContact CB-CG 3.79Å; I454-R482 CarbonylContact O-C 3.59Å; Y455-R482 HydrophobicContact CD1-CB 4.09Å; Y455-R482 HydrophobicContact CE1-CB 3.83Å; Y455-R482 HydrophobicContact CE1-CG 4.01Å
483M45Very low45.1Very low18 Ų1874.4 Ų74.49%0.08940%0.397CS..EExtended strand (participates in β ladder)trans-133.2144.1-177.5-67.3-171.363.500113.5P453 I454 V456 V481 M491 P492 L493P453-M483 WeakPolarHBondContact CA-O 3.36Å; I454-M483 HydrophobicContact CB-CB 4.23Å; I454-M483 PolarHBondContact N-O 2.87Å; I454-M483 WeakPolarHBondContact O-CB 3.43Å; I454-M483 PolarHBondContact O-N 3.1Å; V456-M483 HydrophobicContact CG2-SD 3.54Å; V456-M483 VanDerWaalsContact CG2-SD 3.54Å; V481-M483 HydrophobicContact CG1-CG 4.1Å; M483-M491 WeakPolarHBondContact CE-O 3.37Å; M483-P492 VanDerWaalsContact SD-CA 3.51Å; M483-P492 HydrophobicContact SD-CB 4.23Å; M483-L493 HydrophobicContact CE-CB 3.32Å; M483-L493 HydrophobicContact SD-CB 4.06Å; M483-L493 PolarHBondContact SD-N 3.41Å
484V44.5Very low44Very low77 Ų7769.5 Ų69.547%0.46737%0.374SS..  trans-135.3123.1177.3-1770000106M451M451-V484 HydrophobicContact CB-CG1 3.98Å; M451-V484 HydrophobicContact CE-CG1 3.98Å; M451-V484 HydrophobicContact CG-CG1 3.78Å; M451-V484 HydrophobicContact SD-CG1 3.5Å; M451-V484 VanDerWaalsContact SD-CG1 3.5Å
485S39Very low42.7Very low37 Ų3766.7 Ų66.726%0.25936%0.362SS..  trans-128.4130.1170.9148.50000107.7Q487S485-Q487 PolarHBondContact O-N 3.11Å; S485-Q487 PolarHBondContact OG-N 3.33Å; S485-Q487 PolarHBondContact OG-O 2.92Å
486E43.9Very low42.1Very low181 Ų18169.9 Ų69.985%0.84638%0.379SS*.SBendtrans-70.4-17.7176.8-56.9177.715300111.7M451M451-E486 HydrophobicContact CE-CG 4.36Å
487Q38.3Very low41.2Very low111 Ų11171 Ų7152%0.51939%0.386SS..SBendtrans-82.9131.2168.6-59.818013.300109.3S485 P489 P490S485-Q487 PolarHBondContact O-N 3.11Å; S485-Q487 PolarHBondContact OG-N 3.33Å; S485-Q487 PolarHBondContact OG-O 2.92Å; Q487-P489 CarbonylContact O-C 3.52Å; Q487-P489 VanDerWaalsContact O-C 3.27Å; Q487-P490 WeakPolarHBondContact O-CA 3.39Å
488N37.9Very low40.7Very low152 Ų15273.2 Ų73.281%0.81340%0.398SS*.SBendtrans-113.9120.6-174.2-1620.6000109.1
489P35.8Very low40Very low110 Ų11074.6 Ų74.671%0.71441%0.407SS*.SBendcis-76.1146.24.132.1-35.8000113.7Q487Q487-P489 CarbonylContact O-C 3.52Å; Q487-P489 VanDerWaalsContact O-C 3.27Å
490P32.3Very low40Very low23 Ų2375.9 Ų75.915%0.14942%0.422CS..  trans-64.6143.6177.423.6-31.7000112.8I454 Q487I454-P490 HydrophobicContact CD1-CB 4.08Å; I454-P490 HydrophobicContact CD1-CG 3.79Å; I454-P490 WeakPolarHBondContact CD1-O 3.31Å; I454-P490 HydrophobicContact CG1-CG 4.09Å; Q487-P490 WeakPolarHBondContact O-CA 3.39Å
491M32.2Very low40.1Very low103 Ų10375.5 Ų75.551%0.50742%0.415SS..  trans-111.4127.4-170.9-170.8-173.6-55.300112.3V423 M483V423-M491 HydrophobicContact CG1-SD 4.06Å; M483-M491 WeakPolarHBondContact CE-O 3.37Å
492P31.6Very low39.9Very low71 Ų7177.7 Ų77.746%0.46143%0.425SS..  trans-71.9144.7-168.323.3-32.5000118.4I454 V456 M483I454-P492 HydrophobicContact CG2-CB 4.42Å; V456-P492 HydrophobicContact CG2-CB 3.49Å; V456-P492 VanDerWaalsContact CG2-CB 3.49Å; M483-P492 VanDerWaalsContact SD-CA 3.51Å; M483-P492 HydrophobicContact SD-CB 4.23Å
493L31.7Very low39.7Very low52 Ų5273.2 Ų73.227%0.27241%0.414SS..  trans-171.193.8-161.2-129.485.7000110L466 V468 M483L466-L493 HydrophobicContact CB-CD1 4.33Å; L466-L493 HydrophobicContact CB-CD2 3.88Å; L466-L493 HydrophobicContact CB-CG 3.63Å; L466-L493 HydrophobicContact CD1-CB 3.91Å; L466-L493 HydrophobicContact CD1-CD2 3.71Å; L466-L493 HydrophobicContact CD1-CG 3.56Å; L466-L493 HydrophobicContact CD2-CB 4.09Å; L466-L493 HydrophobicContact CD2-CG 3.77Å; L466-L493 HydrophobicContact CG-CB 4.39Å; L466-L493 HydrophobicContact CG-CD2 4.28Å; L466-L493 HydrophobicContact CG-CG 3.78Å; V468-L493 HydrophobicContact CG2-CD2 4.1Å; M483-L493 HydrophobicContact CE-CB 3.32Å; M483-L493 HydrophobicContact SD-CB 4.06Å; M483-L493 PolarHBondContact SD-N 3.41Å
494S32.6Very low39.9Very low1 Ų176.9 Ų76.91%0.00743%0.431CS..  trans-85.8-154.4-170.5-37.20000119.2V456 V458 L464 L466 I475 V481V456-S494 VanDerWaalsContact CB-OG 3.3Å; V456-S494 WeakPolarHBondContact CB-OG 3.16Å; V456-S494 WeakPolarHBondContact CG1-OG 3.31Å; V458-S494 WeakPolarHBondContact CG2-OG 3.26Å; L464-S494 VanDerWaalsContact CD2-OG 3.22Å; L464-S494 WeakPolarHBondContact CD2-OG 3.49Å; L466-S494 VanDerWaalsContact CD1-O 3.24Å; L466-S494 WeakPolarHBondContact CD1-O 3.42Å; L466-S494 VanDerWaalsContact CD2-N 3.34Å; I475-S494 WeakPolarHBondContact CD1-O 3.44Å; I475-S494 VanDerWaalsContact CG2-O 3.26Å; I475-S494 WeakPolarHBondContact CG2-O 3.11Å; V481-S494 VanDerWaalsContact CG2-C 3.5Å
495M36.4Very low40.2Very low67 Ų6779.5 Ų79.533%0.3344%0.439SS..  trans-158.7124.2169.1-160.7172.3-6300116.2I475 P476 A479 V481I475-M495 HydrophobicContact CD1-CB 4.01Å; I475-M495 HydrophobicContact CD1-CE 4.32Å; I475-M495 HydrophobicContact CD1-CG 3.71Å; I475-M495 HydrophobicContact CG1-CB 4.25Å; I475-M495 HydrophobicContact CG1-CG 3.95Å; P476-M495 CarbonylContact O-C 3.56Å; P476-M495 VanDerWaalsContact O-O 3.05Å; A479-M495 WeakPolarHBondContact CB-O 3.46Å; V481-M495 HydrophobicContact CG2-CB 3.67Å
496N42Very low40.9Very low71 Ų7181.6 Ų81.638%0.3845%0.446SS..PPolyproline II helixtrans-73.2134.9177-153.877.200093.4T463 I475 P476T463-N496 PolarHBondContact OG1-OD1 2.76Å; I475-N496 VanDerWaalsContact C-CA 3.42Å; P476-N496 WeakPolarHBondContact CA-OD1 3.43Å; P476-N496 HydrophobicContact CB-CB 2.31Å; P476-N496 WeakPolarHBondContact CB-ND2 3.29Å; P476-N496 WeakPolarHBondContact CB-OD1 3.21Å; P476-N496 WeakPolarHBondContact CD-O 3.46Å; P476-N496 HydrophobicContact CG-CB 2.28Å; P476-N496 WeakPolarHBondContact CG-ND2 3.22Å; P476-N496 WeakPolarHBondContact CG-O 3.2Å; P476-N496 VanDerWaalsContact O-CA 3.23Å; P476-N496 WeakPolarHBondContact O-CA 3.45Å; P476-N496 PolarHBondContact O-N 3.21Å
497V41.5Very low40.9Very low41 Ų4176.6 Ų76.625%0.24843%0.428CS..PPolyproline II helixtrans-102.9133.4148.1-176.10000108.5P476 H501 V503 L518P476-V497 WeakPolarHBondContact CB-O 3.44Å; V497-H501 HydrophobicContact CG1-CB 4.26Å; V497-H501 VanDerWaalsContact CG1-O 3.31Å; V497-H501 WeakPolarHBondContact CG1-O 3.19Å; V497-V503 HydrophobicContact CB-CG2 4.23Å; V497-V503 HydrophobicContact CG1-CG2 3.77Å; V497-V503 HydrophobicContact CG2-CG2 3.35Å; V497-L518 HydrophobicContact CG1-CD2 4.09Å
498P37.5Very low42.2Very low54 Ų5473 Ų7335%0.35141%0.412SS..PPolyproline II helixtrans-59.9140.1176-24.234.8000111.8G500 H501 L518P498-G500 PolarHBondContact O-N 2.86Å; P498-H501 PolarHBondContact O-N 3.02Å; P498-H501 VanDerWaalsContact O-N 3.14Å; P498-L518 HydrophobicContact CG-CD1 4.16Å
499P40Very low43Very low122 Ų12274.6 Ų74.679%0.79242%0.415SS*.THydrogen-bonded Turntrans-52.5136.3177.2-28.335.6000112.5
500G50.3Low43.8Very low42 Ų4275.7 Ų75.743%0.43342%0.415SS..THydrogen-bonded Turntrans71.324.2-177.600000114.7P498 P520 Q521P498-G500 PolarHBondContact O-N 2.86Å; G500-P520 CarbonylContact O-C 3.52Å; G500-P520 WeakPolarHBondContact O-CA 3.31Å; G500-Q521 PolarHBondContact O-N 2.63Å
501H49.9Very low44.1Very low71 Ų7177.4 Ų77.433%0.32944%0.437SS..EExtended strand (participates in β ladder)trans-120.6136.9165.1-73.763.7000111.5V497 P498 L518 S519V497-H501 HydrophobicContact CG1-CB 4.26Å; V497-H501 VanDerWaalsContact CG1-O 3.31Å; V497-H501 WeakPolarHBondContact CG1-O 3.19Å; P498-H501 PolarHBondContact O-N 3.02Å; P498-H501 VanDerWaalsContact O-N 3.14Å; H501-L518 HydrophobicContact CB-CB 4.5Å; H501-S519 CarbonylContact C-O 3.44Å; H501-S519 WeakPolarHBondContact CA-O 3.45Å; H501-S519 WeakPolarHBondContact CB-O 3.25Å
502I47.6Very low44.6Very low73 Ų7374.8 Ų74.837%0.37443%0.431SS..EExtended strand (participates in β ladder)trans-84.8154.3164.360.9167.6000110.2L518 S519 Q521I502-L518 WeakPolarHBondContact O-CA 3.33Å; I502-S519 WeakPolarHBondContact CG1-O 3.12Å; I502-S519 PolarHBondContact N-O 2.95Å; I502-S519 PolarHBondContact O-N 2.87Å; I502-Q521 HydrophobicContact CG2-CB 4.01Å; I502-Q521 HydrophobicContact CG2-CG 3.98Å
503V44.5Very low45.1Very low60 Ų6076.1 Ų76.136%0.36443%0.434SS..EExtended strand (participates in β ladder)trans-104.9126.2173-171.90000109.3V497 Q505 V516 I517 L518V497-V503 HydrophobicContact CB-CG2 4.23Å; V497-V503 HydrophobicContact CG1-CG2 3.77Å; V497-V503 HydrophobicContact CG2-CG2 3.35Å; V503-Q505 HydrophobicContact CG1-CG 4.38Å; V503-V516 HydrophobicContact CG1-CG1 3.47Å; V503-V516 VanDerWaalsContact CG1-CG1 3.47Å; V503-I517 WeakPolarHBondContact CA-O 3.07Å; V503-L518 HydrophobicContact CG2-CD2 3.92Å
504Q49.1Very low46.1Very low95 Ų9581.2 Ų81.244%0.44445%0.45SS..EExtended strand (participates in β ladder)trans-106138.8165.7-54.1179.5-31.300108.9V516 I517Q504-V516 WeakPolarHBondContact O-CA 3.24Å; Q504-I517 HydrophobicContact CB-CB 4.25Å; Q504-I517 PolarHBondContact N-O 3.27Å; Q504-I517 PolarHBondContact O-N 2.91Å
505Q50.2Low46.8Very low133 Ų13386.7 Ų86.762%0.62148%0.475SS*.EExtended strand (participates in β ladder)trans-114.4129.9177.2-66.6-177.84.500109.2V503 L513V503-Q505 HydrophobicContact CG1-CG 4.38Å; Q505-L513 HydrophobicContact CB-CD1 3.75Å; Q505-L513 HydrophobicContact CG-CD1 3.97Å
506I54.3Low47.1Very low80 Ų8086.5 Ų86.541%0.4148%0.477SS..EExtended strand (participates in β ladder)trans-101.5126.7168.9-56.9-177.8000107.2R514 H515 I517I506-R514 HydrophobicContact CG2-CB 4.32Å; I506-R514 PolarHBondContact O-N 3.02Å; I506-H515 HydrophobicContact CB-CB 4.09Å; I506-H515 HydrophobicContact CD1-CB 4.22Å; I506-H515 HydrophobicContact CG1-CB 4.31Å; I506-H515 PolarHBondContact N-O 3.09Å; I506-H515 PolarHBondContact O-N 3.16Å; I506-I517 HydrophobicContact CD1-CD1 3.99Å; I506-I517 HydrophobicContact CG1-CD1 4.48Å
507V44.3Very low47.5Very low77 Ų7786.3 Ų86.347%0.46748%0.475SS..EExtended strand (participates in β ladder)trans-120.7143.9-177.6-160.30000107.8G511 A512V507-G511 VanDerWaalsContact CG1-CA 3.45Å; V507-G511 WeakPolarHBondContact CG1-O 3.46Å; V507-A512 CarbonylContact C-O 3.56Å; V507-A512 WeakPolarHBondContact CA-O 3.41Å; V507-A512 WeakPolarHBondContact CG1-O 3.47Å
508D65.1Low47.7Very low35 Ų3588.3 Ų88.319%0.18748%0.484CS..  trans-88.2178170.272.127.3000113N510 G511 A512 R514D508-N510 PolarHBondContact O-N 2.72Å; D508-N510 PolarHBondContact OD1-N 2.67Å; D508-N510 VanDerWaalsContact OD1-N 3.08Å; D508-G511 PolarHBondContact O-N 2.98Å; D508-A512 PolarHBondContact N-O 2.78Å; D508-A512 WeakPolarHBondContact OD1-CB 3.32Å; D508-A512 PolarHBondContact OD1-N 3.11Å; D508-R514 HydrophobicContact CB-CG 3.92Å; D508-R514 IonicContact OD2-CZ 2.68Å; D508-R514 VanDerWaalsContact OD2-CZ 3.24Å; D508-R514 IonicContact OD2-NE 2.88Å; D508-R514 PolarHBondContact OD2-NE 2.72Å; D508-R514 IonicContact OD2-NH2 3.92Å; D508-R514 PolarHBondContact OD2-NH2 2.91Å
509E54.4Low48.3Very low186 Ų18687 Ų8787%0.86948%0.476SS*.THydrogen-bonded Turntrans-59.1-17.5-175.766.2-158.6141.100114.7
510N53.1Low48.7Very low133 Ų13385.8 Ų85.871%0.71147%0.469SS*.THydrogen-bonded Turntrans-95.34.1177-56.8-68.7000113D508 A512D508-N510 PolarHBondContact O-N 2.72Å; D508-N510 PolarHBondContact OD1-N 2.67Å; D508-N510 VanDerWaalsContact OD1-N 3.08Å; N510-A512 VanDerWaalsContact C-N 3.3Å
511G38.6Very low48.7Very low59 Ų5989.8 Ų89.861%0.60848%0.476SS*.SBendtrans799.8-173.400000114.1V507 D508V507-G511 VanDerWaalsContact CG1-CA 3.45Å; V507-G511 WeakPolarHBondContact CG1-O 3.46Å; D508-G511 PolarHBondContact O-N 2.98Å
512A42.5Very low48.9Very low48 Ų4890.2 Ų90.240%0.39749%0.492SS..  trans-82.4131178.800000111.6V507 D508 N510 R514V507-A512 CarbonylContact C-O 3.56Å; V507-A512 WeakPolarHBondContact CA-O 3.41Å; V507-A512 WeakPolarHBondContact CG1-O 3.47Å; D508-A512 PolarHBondContact N-O 2.78Å; D508-A512 WeakPolarHBondContact OD1-CB 3.32Å; D508-A512 PolarHBondContact OD1-N 3.11Å; N510-A512 VanDerWaalsContact C-N 3.3Å; A512-R514 PolarHBondContact O-N 2.96Å
513L41.3Very low48.9Very low99 Ų9992.3 Ų92.352%0.51851%0.51SS..EExtended strand (participates in β ladder)trans-70.3111.2-179.6-176.569.1000110.6Q505 V516Q505-L513 HydrophobicContact CB-CD1 3.75Å; Q505-L513 HydrophobicContact CG-CD1 3.97Å; L513-V516 HydrophobicContact CD1-CG2 4.23Å; L513-V516 HydrophobicContact CD2-CG2 3.83Å; L513-V516 HydrophobicContact CG-CG2 4.27Å
514R54.3Low49Very low159 Ų15995.2 Ų95.260%0.653%0.53SS*.EExtended strand (participates in β ladder)trans-87.1-45179.3-74.6-73-179.5135.43.8113I506 D508 A512I506-R514 HydrophobicContact CG2-CB 4.32Å; I506-R514 PolarHBondContact O-N 3.02Å; D508-R514 HydrophobicContact CB-CG 3.92Å; D508-R514 IonicContact OD2-CZ 2.68Å; D508-R514 VanDerWaalsContact OD2-CZ 3.24Å; D508-R514 IonicContact OD2-NE 2.88Å; D508-R514 PolarHBondContact OD2-NE 2.72Å; D508-R514 IonicContact OD2-NH2 3.92Å; D508-R514 PolarHBondContact OD2-NH2 2.91Å; A512-R514 PolarHBondContact O-N 2.96Å
515H45.4Very low48.9Very low116 Ų11695 Ų9554%0.53754%0.544SS..EExtended strand (participates in β ladder)trans-145.8153-177.8-59.3-70.8000112.1I506I506-H515 HydrophobicContact CB-CB 4.09Å; I506-H515 HydrophobicContact CD1-CB 4.22Å; I506-H515 HydrophobicContact CG1-CB 4.31Å; I506-H515 PolarHBondContact N-O 3.09Å; I506-H515 PolarHBondContact O-N 3.16Å
516V43.5Very low48.9Very low62 Ų6294.2 Ų94.238%0.37655%0.551SS.*EExtended strand (participates in β ladder)trans-122.4125.1168.6-176.90000107.2V503 Q504 L513V503-V516 HydrophobicContact CG1-CG1 3.47Å; V503-V516 VanDerWaalsContact CG1-CG1 3.47Å; Q504-V516 WeakPolarHBondContact O-CA 3.24Å; L513-V516 HydrophobicContact CD1-CG2 4.23Å; L513-V516 HydrophobicContact CD2-CG2 3.83Å; L513-V516 HydrophobicContact CG-CG2 4.27Å
517I50.3Low48.5Very low67 Ų6795.7 Ų95.734%0.34457%0.566SS.*EExtended strand (participates in β ladder)trans-115134.2-180-57.1173.5000108.3V503 Q504 I506V503-I517 WeakPolarHBondContact CA-O 3.07Å; Q504-I517 HydrophobicContact CB-CB 4.25Å; Q504-I517 PolarHBondContact N-O 3.27Å; Q504-I517 PolarHBondContact O-N 2.91Å; I506-I517 HydrophobicContact CD1-CD1 3.99Å; I506-I517 HydrophobicContact CG1-CD1 4.48Å
518L44.9Very low49Very low84 Ų8497.6 Ų97.644%0.4458%0.58SS.*EExtended strand (participates in β ladder)trans-99123.7169.1-59.7-179.2000108.8V497 P498 H501 I502 V503V497-L518 HydrophobicContact CG1-CD2 4.09Å; P498-L518 HydrophobicContact CG-CD1 4.16Å; H501-L518 HydrophobicContact CB-CB 4.5Å; I502-L518 WeakPolarHBondContact O-CA 3.33Å; V503-L518 HydrophobicContact CG2-CD2 3.92Å
519S51.2Low48.6Very low25 Ų25101.3 Ų101.318%0.17561%0.606CS.*EExtended strand (participates in β ladder)trans-123.4142.3176.8-40.90000109.6H501 I502 Q521H501-S519 CarbonylContact C-O 3.44Å; H501-S519 WeakPolarHBondContact CA-O 3.45Å; H501-S519 WeakPolarHBondContact CB-O 3.25Å; I502-S519 WeakPolarHBondContact CG1-O 3.12Å; I502-S519 PolarHBondContact N-O 2.95Å; I502-S519 PolarHBondContact O-N 2.87Å; S519-Q521 PolarHBondContact O-N 2.86Å
520P49Very low48.2Very low98 Ų9898.5 Ų98.564%0.63660%0.604SS**EExtended strand (participates in β ladder)trans-58.6135.4176.4-25.434.9000112.1G500 A522G500-P520 CarbonylContact O-C 3.52Å; G500-P520 WeakPolarHBondContact O-CA 3.31Å; P520-A522 PolarHBondContact O-N 2.81Å
521Q50.3Low47.7Very low125 Ų125101 Ų10158%0.58461%0.613SS**PPolyproline II helixtrans-75.8122.3171.5-169.5173.513.400108.5G500 I502 S519G500-Q521 PolarHBondContact O-N 2.63Å; I502-Q521 HydrophobicContact CG2-CB 4.01Å; I502-Q521 HydrophobicContact CG2-CG 3.98Å; S519-Q521 PolarHBondContact O-N 2.86Å
522A52.8Low47.6Very low81 Ų81102.7 Ų102.767%0.66962%0.622SS**PPolyproline II helixtrans-60.6141.9175.600000110.3P520P520-A522 PolarHBondContact O-N 2.81Å
523P48.1Very low47.2Very low116 Ų116109.5 Ų109.575%0.75365%0.645SS**PPolyproline II helixtrans-60.5142.3176.726.3-34.2000110A525P523-A525 PolarHBondContact O-N 2.93Å
524P46.8Very low47.1Very low122 Ų122111.4 Ų111.479%0.79266%0.661SS**PPolyproline II helixtrans-59.2138.7175.925.9-33.9000109.9
525A47.1Very low46.3Very low89 Ų89107.3 Ų107.374%0.73667%0.669SS**PPolyproline II helixtrans-58.5138.2173.700000109.5P523P523-A525 PolarHBondContact O-N 2.93Å
526P50.3Low46.1Very low117 Ų117107.3 Ų107.376%0.7668%0.679SS**PPolyproline II helixtrans-60.5138.7179.425.4-33.8000110
527P46.1Very low45.8Very low112 Ų112115.5 Ų115.573%0.72771%0.705SS**PPolyproline II helixtrans-61.7146.7179.426.1-34.3000110.5
528P53.5Low45.2Very low117 Ų117117.2 Ų117.276%0.7672%0.72SS**PPolyproline II helixtrans-59.8140175.626-33.9000110.2
529P56.9Low44.6Very low113 Ų113118 Ų11873%0.73473%0.733SS**PPolyproline II helixtrans-64.9139.1-174.825.9-34.3000111.3M531P529-M531 PolarHBondContact O-N 2.8Å
530P45.8Very low44Very low127 Ų127122.7 Ų122.783%0.82577%0.765SS**PPolyproline II helixtrans-66.1127.2-178.926.7-34.1000110.9A532P530-A532 PolarHBondContact O-N 3.3Å; P530-A532 VanDerWaalsContact O-N 3.15Å
531M42Very low43.2Very low185 Ų185121.6 Ų121.691%0.91177%0.772SS**  trans-69.2109.2175.3-75.2-179.860.300110.6P529 Q533P529-M531 PolarHBondContact O-N 2.8Å; M531-Q533 PolarHBondContact O-N 3.4Å
532A38Very low42.5Very low95 Ų95127.9 Ų127.979%0.78579%0.79SS**  trans-65.4123.4172.100000110.6P530P530-A532 PolarHBondContact O-N 3.3Å; P530-A532 VanDerWaalsContact O-N 3.15Å
533Q34.5Very low41.9Very low191 Ų191128.3 Ų128.389%0.89379%0.794SS**  trans-71.5132.1175.9-63.4-179.27.900110.4M531M531-Q533 PolarHBondContact O-N 3.4Å
534T37.5Very low41.6Very low139 Ų139128.4 Ų128.485%0.85379%0.794SS**  trans-114.4145.6160.440.60000109.4
535G39.1Very low41.4Very low73 Ų73128.9 Ų128.975%0.75380%0.798SS**  trans-75.4-178.4-160.900000117.2
536P41.1Very low41Very low116 Ų116129.3 Ų129.375%0.75380%0.801SS**  trans-110.7146.8-141.938.3-33.5000115.6
537Y35.8Very low40.2Very low234 Ų234128.2 Ų128.292%0.91880%0.801SS**  trans-150.9162157.9-88.8-60.9000109.1
538P37.4Very low39.7Very low103 Ų103128.8 Ų128.867%0.66980%0.803SS**  -125.3161.5-126.340.6-27.3000116.1
539S34Very low38.7Very low101 Ų101130.9 Ų130.971%0.70681%0.807SS**  trans53.4131.7144.763.30000121.3
540S37.9Very low37.6Very low122 Ų122129.1 Ų129.185%0.85380%0.797SS**  trans80116.9153.778.40000119.2
541G32.1Very low37.1Very low75 Ų75130.8 Ų130.877%0.77380%0.799SS**  115.1117.1108.900000119
542R35.9Very low36.8Very low258 Ų258125.1 Ų125.197%0.97479%0.788SS**  trans87.5154.9147.9-143.4171-170.5174.52.2117.3
543A39Very low36.9Very low90 Ų90127.3 Ų127.374%0.74479%0.794SS**  trans-123.3-153.9-162.300000112.5
544P43.6Very low36.8Very low118 Ų118121.7 Ų121.777%0.76679%0.788SS**  -93.6-173.1-124.144.1-33.8000113.7
545P41.9Very low36.7Very low132 Ų132118.8 Ų118.886%0.85779%0.785SS**  -143.1-162.688.639.4-22.1000113.6
546A37.9Very low36.5Very low97 Ų97121.2 Ų121.280%0.80279%0.788SS**  trans-131.9179-163.800000115.2
547A35.3Very low35.9Very low94 Ų94121.9 Ų121.978%0.77779%0.79SS**  trans97.2171.5145.900000120.5
548V34.3Very low35.6Very low125 Ų125117.8 Ų117.876%0.75878%0.783SS**  trans85.290172.6-170.60000114.7
549L31.8Very low35.1Very low161 Ų161121.1 Ų121.184%0.84379%0.79SS**  79.7149.383.6-73.2176.5000113.5
550S35.4Very low35Very low75 Ų75125.7 Ų125.752%0.52479%0.793SS.*  cis-176165.7-4.847.80000112.6
551N35.5Very low34.9Very low162 Ų162127.1 Ų127.187%0.86679%0.79SS**  trans71.6147.2163-47.8-36.2000115.8
552G34.7Very low35Very low67 Ų67128.1 Ų128.169%0.69178%0.782SS**  cis136.2169.76.800000110
553P39.5Very low34.8Very low140 Ų140122.3 Ų122.391%0.90978%0.775SS**  cis-89.5-136-9.441.9-36.5000110
554G33.8Very low34.3Very low74 Ų74124.5 Ų124.576%0.76377%0.77SS**  cis179.8-174.82.200000112.9
555G33.9Very low33.6Very low77 Ų77122.6 Ų122.679%0.79477%0.772SS**  trans-129.7164.5176.200000113.5
556P35.7Very low33.1Very low124 Ų124121.5 Ų121.581%0.80576%0.763SS**  -148160.3108.139.9-25.2000117.1
557T29.1Very low32.9Very low130 Ų130122.1 Ų122.180%0.79876%0.759SS**  trans33.6137.5137.9-43.20000123.4
558L28.3Very low32.8Very low149 Ų149124.9 Ų124.978%0.7877%0.771SS**  trans-31.9156.2160-65.5157.5000118.2
559Q27Very low32.5Very low173 Ų173121.5 Ų121.581%0.80876%0.761SS**  trans71.1142.4156.2-78.1179.5-21.900118
560Y32Very low32.5Very low197 Ų197123 Ų12377%0.77376%0.764SS**  cis-166.6138.6-19.7-144.2-126.5000107.4
561I35.9Very low32.3Very low152 Ų152124 Ų12478%0.77978%0.776SS**  trans53.6-180179.222-179.7000114.4
562P35.8Very low31.9Very low95 Ų95122.9 Ų122.962%0.61777%0.769SS**  cis-122.149-1.343.2-29.2000114.9
563V30.6Very low31.6Very low137 Ų137125.4 Ų125.483%0.8376%0.763SS**  trans-128.966-173.6-158.90000111.2
564Q28.8Very low31.4Very low135 Ų135126.1 Ų126.163%0.63175%0.754SS**  54.966.985.6-65.7-164.6-14.100114.1
565G28.3Very low31.3Very low79 Ų79128 Ų12881%0.81475%0.753SS**  trans-137.152.5173.700000111.8
566T32.4Very low31.1Very low108 Ų108129 Ų12966%0.66375%0.745SS**  trans-134.4153.8-17846.80000110.5
567P33.4Very low30.6Very low110 Ų110130 Ų13071%0.71474%0.743SS**  cis-123.5139.9-7.235.8-20.6000113G569P567-G569 PolarHBondContact O-N 3.01Å
568C32.3Very low30.5Very low153 Ų153129.8 Ų129.8100%1.03474%0.741SS**  trans-79.462.3171.6-73.60000112
569G28.9Very low30.4Very low53 Ų53126.4 Ų126.455%0.54674%0.735SS.*  trans-128.6110.3176.900000112.4P567P567-G569 PolarHBondContact O-N 3.01Å
570Q30.6Very low30.5Very low192 Ų192125.6 Ų125.690%0.89774%0.735SS**  trans74128.5153.4-59.1179.8-2800121.4
571A33Very low30.4Very low96 Ų96126.4 Ų126.479%0.79374%0.737SS**  trans73.6165.9145.400000116.7
572I27Very low30.2Very low139 Ų139128 Ų12871%0.71374%0.739SS**  cis-148.2150.833.1-72.4173.2000113
573H28.5Very low30.4Very low120 Ų120128.2 Ų128.256%0.55674%0.735SS**  trans73.9146.3159.6-81.8-17.8000120.5
574H33.9Very low30.5Very low156 Ų156126.9 Ų126.972%0.72274%0.738SS**SBendcis-130.3159.5-2.9-65.9-78.9000109.3
575P32Very low31.4Very low114 Ų114126.9 Ų126.974%0.7474%0.742SS**SBendcis-87.5-155.58.140.9-39.2000112.2
576P30.5Very low31.6Very low98 Ų98125.5 Ų125.564%0.63673%0.728SS**  -128.4-178.3-93.339.5-22.6000115.6
577L24.8Very low31.5Very low145 Ų145124.5 Ų124.576%0.75972%0.716SS**  trans86.4102.2169.1-55.2179.1000118.1
578T26Very low31.6Very low124 Ų124123.6 Ų123.676%0.76171%0.71SS**  30.9134.3125.535.90000120.5
579A26.4Very low31.6Very low79 Ų79123 Ų12365%0.65370%0.697SS**  cis-163.5164.95.500000113.9
580L29.3Very low31.8Very low155 Ų155125.2 Ų125.281%0.81270%0.702SS**  trans70.3143.3165.1-54.3174.2000117.1
581R29.9Very low31.6Very low215 Ų215120.9 Ų120.981%0.81170%0.698SS**  cis-175.7122.5-33.5-126.3-169.1-165.4-160.35.2107.2
582F31.8Very low31.4Very low184 Ų184120.8 Ų120.881%0.80770%0.698SS**  trans-164.8169.3148.3-91.4-60000108.4
583D40.1Very low31.4Very low101 Ų101118.1 Ų118.154%0.5470%0.697SS.*  trans-103.1-179.1-160.675.612.3000115.2N585 G586D583-N585 PolarHBondContact O-N 3.13Å; D583-N585 WeakPolarHBondContact OD1-CA 3.38Å; D583-N585 VanDerWaalsContact OD1-CB 3.25Å; D583-N585 WeakPolarHBondContact OD1-CB 3.42Å; D583-N585 PolarHBondContact OD1-N 3.25Å; D583-N585 PolarHBondContact OD1-ND2 2.69Å; D583-N585 VanDerWaalsContact OD1-ND2 3.12Å; D583-N585 PolarHBondContact OD2-ND2 2.86Å; D583-G586 PolarHBondContact O-N 2.98Å
584A33Very low31.2Very low108 Ų108121.1 Ų121.189%0.89371%0.708SS**THydrogen-bonded Turntrans-68.24.2-178.900000115
585N48.2Very low30.7Very low135 Ų135123.2 Ų123.272%0.72271%0.711SS**THydrogen-bonded Turntrans-100.7-11.6177.4-50.5-66.1000113D583 Q587D583-N585 PolarHBondContact O-N 3.13Å; D583-N585 WeakPolarHBondContact OD1-CA 3.38Å; D583-N585 VanDerWaalsContact OD1-CB 3.25Å; D583-N585 WeakPolarHBondContact OD1-CB 3.42Å; D583-N585 PolarHBondContact OD1-N 3.25Å; D583-N585 PolarHBondContact OD1-ND2 2.69Å; D583-N585 VanDerWaalsContact OD1-ND2 3.12Å; D583-N585 PolarHBondContact OD2-ND2 2.86Å; N585-Q587 PolarHBondContact O-N 3.32Å
586G32.8Very low30.5Very low51 Ų51122.7 Ų122.753%0.52671%0.71SS.*  trans67.738.3157.200000118.4D583D583-G586 PolarHBondContact O-N 2.98Å
587Q28.3Very low30.6Very low86 Ų86124 Ų12440%0.40272%0.719SS.*  trans-138.6161.6166.4-80.9-57.3-77.900113.2N585N585-Q587 PolarHBondContact O-N 3.32Å
588P36.5Very low30.6Very low91 Ų91121 Ų12159%0.59172%0.722SS**  trans-128.3-122-150.642-23.4000113.3
589N31.7Very low30.6Very low141 Ų141118 Ų11875%0.75472%0.717SS**  trans92.5163.1167.5-129.828.9000116.2
590P34.1Very low30.8Very low100 Ų100122 Ų12265%0.64973%0.727SS**  -140.1-179.1-83.944.5-29.3000117.5
591A26.4Very low30.5Very low100 Ų100118.9 Ų118.983%0.82671%0.714SS**  trans64.8107.7141.900000122.8
592A29.1Very low30.3Very low95 Ų95118.7 Ų118.779%0.78572%0.715SS**  trans-162.2139.3133.100000107.3
593A25.6Very low30Very low83 Ų83115 Ų11569%0.68671%0.71SS**  cis84.8129.119.800000116
594F23.8Very low29.2Very low183 Ų183116 Ų11680%0.80372%0.719SS**  trans71.6107.8168-70.7-86.9000121.3
595Y24.1Very low28.8Very low200 Ų200116.8 Ų116.878%0.78472%0.717SS**  62.9116.1121.8-91.4-104.6000122.7
596S27.8Very low27.6Very low103 Ų103113.8 Ų113.872%0.7272%0.718SS**  trans65.6172.7140.6470000120
597P33.2Very low27.3Very low126 Ų126116.8 Ų116.882%0.81873%0.728SS**  cis-134.3163.3-23.426.7-6.3000116.4
598G25.5Very low27.1Very low80 Ų80124.1 Ų124.183%0.82575%0.752SS**  trans113.3141.8135.400000120.1
599G25.6Very low26.5Very low63 Ų63127.9 Ų127.965%0.64976%0.763SS**SBendtrans89.7111.7166.900000115.9
600D30.2Very low26.1Very low161 Ų161127.4 Ų127.486%0.86176%0.759SS**  cis-98.7141-12.4-63.8-52.9000109.2
601V23.6Very low25.7Very low90 Ų90130 Ų13055%0.54577%0.768SS.*  cis88.7130.128.4-169.80000113.4
602Y24.1Very low25.7Very low212 Ų212132.5 Ų132.583%0.83176%0.762SS**  trans80.2146.8-176.3-51.5-64.5000116.6
603P25.3Very low25.6Very low106 Ų106133.6 Ų133.669%0.68877%0.765SS**  -139.8-176-67.936.2-17.8000113.9
604V24.5Very low25.6Very low123 Ų123136.5 Ų136.575%0.74577%0.768SS**  trans62.5108.6145161.40000116.7
605C23.6Very low25.6Very low124 Ų124135.9 Ų135.984%0.83877%0.769SS**  58101.770.7-62.80000114.7
606G23.3Very low25.8Very low72 Ų72131.8 Ų131.874%0.74277%0.767SS**  trans100.3-175.1167.300000114.8
607P27.5Very low25.6Very low113 Ų113134 Ų13473%0.73478%0.776SS**  -124.4158.7-121.240-30.2000115.6
608R23.3Very low25.1Very low240 Ų240135.3 Ų135.391%0.90677%0.771SS**  trans71.8156.7179.5-44.7169.1172.7159.6-3.5111.8
609M23.3Very low25.2Very low170 Ų170139.9 Ų139.984%0.83777%0.771SS**  cis-123.4143.36.7-66-179.7-62.500112.5
610I25Very low25.3Very low131 Ų131140.1 Ų140.167%0.67277%0.774SS**  trans4.6124135.5-42.4177.9000116.1E612I610-E612 HydrophobicContact CG2-CB 4.11Å; I610-E612 HydrophobicContact CG2-CG 3.72Å; I610-E612 VanDerWaalsContact CG2-OE2 3.28Å; I610-E612 WeakPolarHBondContact CG2-OE2 3.47Å
611D25.4Very low25.3Very low154 Ų154137 Ų13782%0.82477%0.771SS**  -129.6127128.9-168.64000107.5
612E26.5Very low25.6Very low153 Ų153142 Ų14272%0.71579%0.788SS**  trans-115.2111.8-170.9-90.4171.2129.500109.9I610I610-E612 HydrophobicContact CG2-CB 4.11Å; I610-E612 HydrophobicContact CG2-CG 3.72Å; I610-E612 VanDerWaalsContact CG2-OE2 3.28Å; I610-E612 WeakPolarHBondContact CG2-OE2 3.47Å
613S26.8Very low25.7Very low119 Ų119135.3 Ų135.383%0.83278%0.777SS**  trans-133.237.3167.443.70000112.5
614L24.3Very low26Very low144 Ų144137 Ų13775%0.75479%0.785SS**SBendtrans-111.2146.4153.7-82.8171.9000109.1
615M25Very low26.1Very low170 Ų170136 Ų13684%0.83779%0.789SS**SBendtrans78.4143.1176.6-53.7-59.9145.800117.1
616P27.3Very low26.2Very low114 Ų114134.5 Ų134.574%0.7479%0.787SS**  trans-97158.8178.338.3-34.8000112.8
617V24.9Very low26.5Very low149 Ų149138.2 Ų138.290%0.90380%0.795SS**  trans-166.5165.9147.51270000111.2
618Q22.8Very low26.7Very low153 Ų153137.1 Ų137.172%0.71580%0.795SS**  trans-79.4178.2-179.9-84.2165.2-140.700114.6
619E27.4Very low27Very low177 Ų177132.2 Ų132.283%0.82779%0.792SS**  trans75.2157.4158-77143.3-124.600117.6
620G27.7Very low27.2Very low68 Ų68128.4 Ų128.470%0.70179%0.787SS**  cis171.232.4-2.100000118.5
621A30.2Very low27.5Very low96 Ų96131.9 Ų131.979%0.79380%0.801SS**  trans68.5165173.700000118.4
622E28.5Very low27.7Very low193 Ų193127.4 Ų127.490%0.90279%0.79SS**  trans64.6159.7171.1-59.7-170174.400119
623A27.4Very low28.4Very low73 Ų73126 Ų12660%0.60380%0.797SS**  cis-165.3140-41.700000112.1
624T30.5Very low29.2Very low140 Ų140125.9 Ų125.986%0.85980%0.795SS**  trans63.3147.5150.252.60000124.1
625A28.5Very low30.8Very low102 Ų102121 Ų12184%0.84377%0.769SS**  trans85.5110.2148.600000121
626A24.9Very low32.7Very low94 Ų94119.1 Ų119.178%0.77776%0.759SS**  trans-153.1101.6161.500000111.6
627T30.5Very low34.6Very low150 Ų150123.7 Ų123.792%0.9276%0.761SS**  trans-165.3116.8162.6-2.60000113.5
628A31.1Very low36.7Very low90 Ų90123.3 Ų123.374%0.74475%0.749SS**  trans-164.2111.2157.300000106.3
629V29.3Very low38.8Very low136 Ų136118.1 Ų118.182%0.82473%0.725SS**  60.897.871.7-176.50000109.8
630A28.4Very low40.7Very low90 Ų90111.8 Ų111.874%0.74470%0.696SS**  cis94.692.439.300000113.9
631E30.5Very low42.9Very low205 Ų205112.5 Ų112.596%0.95869%0.687SS**  trans-170.9142.6158.7-110.5171.6-149.900109
632G30.4Very low44.9Very low59 Ų59114 Ų11461%0.60868%0.676SS**  trans117111.5163.100000119.6
633S40.9Very low46.9Very low123 Ų123105.4 Ų105.486%0.8664%0.636SS**  trans52.8135.9153.152.40000122.1
634C43Very low49Very low117 Ų117104 Ų10479%0.79162%0.619SS**PPolyproline II helixtrans-96.1131.3171.6-171.50000111.1
635M58.1Low51.2Low41 Ų41102.2 Ų102.220%0.20260%0.601CS.*PPolyproline II helixtrans-85.9126.9-179.4-173.1-170.9-73.500111.9E639 F682 L747 L750 R754M635-E639 WeakPolarHBondContact CA-OE2 3.44Å; M635-E639 HydrophobicContact CG-CB 4.32Å; M635-E639 WeakPolarHBondContact CG-OE2 3.4Å; M635-F682 HydrophobicContact CE-CE1 4.12Å; M635-F682 HydrophobicContact SD-CE1 4.15Å; M635-L747 HydrophobicContact CE-CD1 3.66Å; M635-L747 HydrophobicContact SD-CD1 4.47Å; M635-L750 HydrophobicContact CE-CD1 3.71Å; M635-L750 HydrophobicContact SD-CD1 4.32Å; M635-R754 PolarHBondContact O-NH1 2.83Å; M635-R754 VanDerWaalsContact O-NH1 3.15Å
636E64.1Low53.5Low132 Ų13298.3 Ų98.362%0.61757%0.566SS**PPolyproline II helixtrans-81.3163.4-171.2-64.6-162.3167.400114.1E638 E639 M640E636-E638 PolarHBondContact O-N 2.99Å; E636-E639 HydrophobicContact CB-CG 3.97Å; E636-E639 PolarHBondContact N-OE2 2.71Å; E636-E639 PolarHBondContact O-N 3.15Å; E636-M640 PolarHBondContact O-N 2.94Å
637R67.3Low55.7Low209 Ų20994.3 Ų94.379%0.78953%0.531SS*.Hα-helixtrans-69.3-31.6-171.1-174.3174.5178.9154.11.8113.8T641R637-T641 PolarHBondContact O-N 2.72Å; R637-T641 PolarHBondContact O-OG1 2.93Å
638E69.7Low57.9Low141 Ų14188.9 Ų88.966%0.65950%0.5SS*.Hα-helixtrans-70.7-39.1178.9-60.5-166.9174.800111.7E636 T641 K642E636-E638 PolarHBondContact O-N 2.99Å; E638-T641 WeakPolarHBondContact O-CB 3.49Å; E638-T641 PolarHBondContact O-N 2.87Å; E638-K642 PolarHBondContact O-N 3.37Å
639E66.5Low60.2Low44 Ų4490.1 Ų90.121%0.20649%0.485CS..Hα-helixtrans-59.7-50.7177.5-37.8-177.5140.300109.6M635 E636 T641 K642 L643 P681 F682M635-E639 WeakPolarHBondContact CA-OE2 3.44Å; M635-E639 HydrophobicContact CG-CB 4.32Å; M635-E639 WeakPolarHBondContact CG-OE2 3.4Å; E636-E639 HydrophobicContact CB-CG 3.97Å; E636-E639 PolarHBondContact N-OE2 2.71Å; E636-E639 PolarHBondContact O-N 3.15Å; E639-T641 PolarHBondContact O-N 2.59Å; E639-K642 PolarHBondContact O-N 3.24Å; E639-L643 PolarHBondContact O-N 3.2Å; E639-P681 HydrophobicContact CB-CB 4.43Å; E639-P681 HydrophobicContact CB-CG 3.79Å; E639-P681 VanDerWaalsContact CD-CB 3.42Å; E639-P681 HydrophobicContact CG-CB 4.07Å; E639-P681 HydrophobicContact CG-CG 3.71Å; E639-P681 WeakPolarHBondContact OE1-CB 3.42Å; E639-F682 HydrophobicContact CB-CE2 4.31Å; E639-F682 HydrophobicContact CB-CZ 3.9Å; E639-F682 WeakPolarHBondContact O-CZ 3.43Å
640M66.7Low62.4Low45 Ų4585 Ų8522%0.22245%0.453CS..Hα-helixtrans-57.4-31.8176.7-161.7177.281.700113.4E636 R754 L756E636-M640 PolarHBondContact O-N 2.94Å; M640-R754 HydrophobicContact SD-CB 4.43Å; M640-R754 WeakPolarHBondContact SD-CD 3.29Å; M640-R754 PolarHBondContact SD-NH1 3.32Å; M640-R754 VanDerWaalsContact SD-NH1 3.42Å; M640-L756 HydrophobicContact CE-CD2 4.24Å; M640-L756 HydrophobicContact CG-CD1 3.38Å; M640-L756 HydrophobicContact CG-CD2 3.83Å; M640-L756 HydrophobicContact CG-CG 4.27Å; M640-L756 HydrophobicContact SD-CD1 3.86Å; M640-L756 HydrophobicContact SD-CD2 4.2Å
641T74.6Confident64.9Low82 Ų8286.6 Ų86.650%0.50345%0.445SS..Hα-helixtrans-74.1-43.2179.8-54.70000111.3R637 E638 E639 L643 V644 E645R637-T641 PolarHBondContact O-N 2.72Å; R637-T641 PolarHBondContact O-OG1 2.93Å; E638-T641 WeakPolarHBondContact O-CB 3.49Å; E638-T641 PolarHBondContact O-N 2.87Å; E639-T641 PolarHBondContact O-N 2.59Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.87Å; T641-V644 PolarHBondContact O-N 2.88Å; T641-E645 PolarHBondContact O-N 3.01Å
642K72.5Confident67.5Low129 Ų12979.5 Ų79.556%0.56142%0.416SS*.Hα-helixtrans-62.1-35.4178.4-68.1171.8-177.7169.10112.8E638 E639 E645 M646E638-K642 PolarHBondContact O-N 3.37Å; E639-K642 PolarHBondContact O-N 3.24Å; K642-E645 PolarHBondContact O-N 2.86Å; K642-M646 PolarHBondContact O-N 3.07Å
643L69.3Low70.1Confident12 Ų1276.7 Ų76.76%0.06339%0.388CS..Hα-helixtrans-69.2-39.6179.9-159.5162.9000111.5E639 T641 M646 L647 F682 L747 L751E639-L643 PolarHBondContact O-N 3.2Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.87Å; L643-M646 HydrophobicContact CD2-CE 4.45Å; L643-M646 HydrophobicContact CG-CE 4.41Å; L643-M646 PolarHBondContact O-N 2.93Å; L643-L647 HydrophobicContact CD2-CD1 3.61Å; L643-L647 HydrophobicContact CD2-CG 4.1Å; L643-L647 WeakPolarHBondContact O-CG 3.34Å; L643-L647 PolarHBondContact O-N 3.29Å; L643-L647 VanDerWaalsContact O-N 3.11Å; L643-F682 HydrophobicContact CB-CE2 4.42Å; L643-F682 HydrophobicContact CB-CZ 4.08Å; L643-F682 HydrophobicContact CD1-CD1 4.34Å; L643-F682 HydrophobicContact CD1-CE1 3.72Å; L643-F682 HydrophobicContact CD1-CZ 3.84Å; L643-F682 HydrophobicContact CG-CZ 4.49Å; L643-L747 HydrophobicContact CD1-CD1 3.92Å; L643-L747 HydrophobicContact CD1-CD2 4.44Å; L643-L751 HydrophobicContact CD1-CD2 4.26Å; L643-L751 HydrophobicContact CD2-CD2 3.76Å
644V73.1Confident72.4Confident42 Ų4277.2 Ų77.226%0.25538%0.376SS..Hα-helixtrans-63.7-44.8171.6174.60000110.9T641 M646 L647 S648 L756T641-V644 PolarHBondContact O-N 2.88Å; V644-M646 VanDerWaalsContact C-N 3.3Å; V644-M646 PolarHBondContact O-N 3.18Å; V644-L647 PolarHBondContact O-N 3.19Å; V644-L647 VanDerWaalsContact O-N 3.09Å; V644-S648 PolarHBondContact O-N 2.84Å; V644-S648 PolarHBondContact O-OG 2.84Å; V644-L756 HydrophobicContact CG2-CB 4.18Å; V644-L756 HydrophobicContact CG2-CD2 3.69Å
645E76.6Confident74.6Confident104 Ų10472.9 Ų72.949%0.48635%0.347SS..Hα-helixtrans-58.9-40.7178.4-162.3-165.913200112.2T641 K642 S648 R649T641-E645 PolarHBondContact O-N 3.01Å; K642-E645 PolarHBondContact O-N 2.86Å; E645-S648 PolarHBondContact O-N 2.98Å; E645-R649 WeakPolarHBondContact O-CG 3.44Å; E645-R649 IonicContact OE1-CZ 2.73Å; E645-R649 IonicContact OE1-NE 3.13Å; E645-R649 IonicContact OE1-NH2 2.74Å; E645-R649 PolarHBondContact OE1-NH2 3.47Å
646M75.7Confident75.9Confident20 Ų2073.7 Ų73.710%0.09936%0.355CS..Hα-helixtrans-60.6-48.3172.4-179.4-167.271.500111.7K642 L643 V644 S648 R649 L670 A675 F690K642-M646 PolarHBondContact O-N 3.07Å; L643-M646 HydrophobicContact CD2-CE 4.45Å; L643-M646 HydrophobicContact CG-CE 4.41Å; L643-M646 PolarHBondContact O-N 2.93Å; V644-M646 VanDerWaalsContact C-N 3.3Å; V644-M646 PolarHBondContact O-N 3.18Å; M646-S648 PolarHBondContact O-N 2.92Å; M646-R649 PolarHBondContact O-N 2.83Å; M646-L670 HydrophobicContact CG-CD2 4.48Å; M646-L670 WeakPolarHBondContact O-CD1 3.33Å; M646-A675 HydrophobicContact SD-CB 4.38Å; M646-F690 HydrophobicContact CE-CE1 4.19Å; M646-F690 HydrophobicContact CE-CZ 3.75Å
647L72Confident77.1Confident9 Ų972.7 Ų72.75%0.04735%0.351CS..Hα-helixtrans-63.1-26-179.1-70.2170.5000113.4L643 V644 R649 I650 F690 C736L643-L647 HydrophobicContact CD2-CD1 3.61Å; L643-L647 HydrophobicContact CD2-CG 4.1Å; L643-L647 WeakPolarHBondContact O-CG 3.34Å; L643-L647 PolarHBondContact O-N 3.29Å; L643-L647 VanDerWaalsContact O-N 3.11Å; V644-L647 PolarHBondContact O-N 3.19Å; V644-L647 VanDerWaalsContact O-N 3.09Å; L647-R649 VanDerWaalsContact C-N 3.34Å; L647-R649 PolarHBondContact O-N 3.36Å; L647-I650 WeakPolarHBondContact O-CD1 3.45Å; L647-F690 HydrophobicContact CD2-CD1 4.47Å; L647-F690 HydrophobicContact CD2-CE1 3.96Å; L647-C736 HydrophobicContact CD2-CB 4.24Å
648S75.9Confident78.2Confident37 Ų3764.5 Ų64.526%0.25932%0.324SS..THydrogen-bonded Turntrans-79.8-3.3177.4-68.70000115.1V644 E645 M646 I650 G758 D759V644-S648 PolarHBondContact O-N 2.84Å; V644-S648 PolarHBondContact O-OG 2.84Å; E645-S648 PolarHBondContact O-N 2.98Å; M646-S648 PolarHBondContact O-N 2.92Å; S648-I650 VanDerWaalsContact C-N 3.33Å; S648-I650 PolarHBondContact O-N 3.5Å; S648-G758 WeakPolarHBondContact OG-CA 3.45Å; S648-D759 WeakPolarHBondContact CB-OD2 3.27Å; S648-D759 PolarHBondContact OG-N 3.44Å; S648-D759 PolarHBondContact OG-OD2 2.85Å
649R79Confident79Confident115 Ų11558.4 Ų58.443%0.43430%0.298SS..THydrogen-bonded Turntrans-88.814.9-177.1-65.4175.7-171.5-175.39.7114.8E645 M646 L647 E674E645-R649 WeakPolarHBondContact O-CG 3.44Å; E645-R649 IonicContact OE1-CZ 2.73Å; E645-R649 IonicContact OE1-NE 3.13Å; E645-R649 IonicContact OE1-NH2 2.74Å; E645-R649 PolarHBondContact OE1-NH2 3.47Å; M646-R649 PolarHBondContact O-N 2.83Å; L647-R649 VanDerWaalsContact C-N 3.34Å; L647-R649 PolarHBondContact O-N 3.36Å; R649-E674 IonicContact CZ-OE1 3.01Å; R649-E674 IonicContact CZ-OE2 3.9Å; R649-E674 IonicContact NH1-OE1 2.85Å; R649-E674 PolarHBondContact NH1-OE1 2.84Å; R649-E674 IonicContact NH1-OE2 2.73Å; R649-E674 PolarHBondContact NH1-OE2 2.81Å; R649-E674 IonicContact NH2-OE1 3.87Å; R649-E674 PolarHBondContact NH2-OE1 2.99Å; R649-E674 IonicContact NH2-OE2 2.74Å; R649-E674 PolarHBondContact NH2-OE2 2.89Å
650I76.8Confident80Confident30 Ų3059.4 Ų59.415%0.15431%0.305CS..PPolyproline II helixtrans-75.4135.8-177.5-60.9172.7000110.9L647 S648 L670 F733 C736 T761L647-I650 WeakPolarHBondContact O-CD1 3.45Å; S648-I650 VanDerWaalsContact C-N 3.33Å; S648-I650 PolarHBondContact O-N 3.5Å; I650-L670 HydrophobicContact CG1-CD1 4.1Å; I650-F733 HydrophobicContact CG2-CD2 4.1Å; I650-C736 HydrophobicContact CD1-CB 3.49Å; I650-C736 VanDerWaalsContact CD1-CB 3.49Å; I650-T761 HydrophobicContact CB-CG2 4.35Å; I650-T761 HydrophobicContact CG2-CG2 4.05Å
651Q80.9Confident81Confident123 Ų12363.4 Ų63.458%0.57532%0.317SS*.PPolyproline II helixtrans-88.5150.3176.4-69.1-15727.700113.1F733Q651-F733 WeakPolarHBondContact O-CD2 3.26Å
652P83.8Confident81.7Confident55 Ų5563.3 Ų63.336%0.35731%0.311SS..PPolyproline II helixtrans-67.5156.417729-36.1000112.9E762 V764P652-E762 VanDerWaalsContact CB-O 3.32Å; P652-E762 WeakPolarHBondContact CB-O 3.31Å; P652-V764 HydrophobicContact CB-CG2 4.36Å
653P86Confident82.5Confident1 Ų157.1 Ų57.11%0.00628%0.284CS..PPolyproline II helixtrans-79.8128.9-177.532.2-35.6000113.1K666 L694 T731 F733 V764P653-K666 CarbonylContact C-O 3.55Å; P653-K666 WeakPolarHBondContact CA-O 3.29Å; P653-L694 HydrophobicContact CB-CD1 3.81Å; P653-L694 HydrophobicContact CG-CD1 3.59Å; P653-T731 HydrophobicContact CG-CG2 4.15Å; P653-F733 HydrophobicContact CB-CE2 3.88Å; P653-F733 HydrophobicContact CB-CZ 4.09Å; P653-F733 HydrophobicContact CG-CD2 4.49Å; P653-F733 HydrophobicContact CG-CE2 4.15Å; P653-V764 WeakPolarHBondContact O-CB 3.49Å; P653-V764 VanDerWaalsContact O-CG2 3.26Å; P653-V764 WeakPolarHBondContact O-CG2 3.26Å
654E88.6Confident83.6Confident133 Ų13356.8 Ų56.862%0.62128%0.283SS*.EExtended strand (participates in β ladder)trans-80.5135.2173.7-170.5-175.1163.200110.9A665 K666E654-A665 CarbonylContact O-C 3.54Å; E654-A665 VanDerWaalsContact O-CA 3.25Å; E654-A665 WeakPolarHBondContact O-CA 3.34Å; E654-K666 PolarHBondContact N-O 3.35Å; E654-K666 PolarHBondContact O-N 2.79Å
655V89Confident84.3Confident27 Ų2754.8 Ų54.816%0.16427%0.271CS..EExtended strand (participates in β ladder)trans-104.3100.1176.3-177.70000110.1V658 A663 L664 T731 V764 F766V655-V658 HydrophobicContact CG1-CG2 4.04Å; V655-A663 HydrophobicContact CG1-CB 4.08Å; V655-L664 CarbonylContact C-O 3.45Å; V655-L664 WeakPolarHBondContact CA-O 3.48Å; V655-T731 HydrophobicContact CG2-CG2 3.83Å; V655-V764 HydrophobicContact CB-CG1 4.5Å; V655-V764 HydrophobicContact CG2-CG1 4.05Å; V655-F766 HydrophobicContact CB-CD1 4.37Å; V655-F766 HydrophobicContact CG1-CB 4.25Å; V655-F766 HydrophobicContact CG1-CD1 4.03Å; V655-F766 HydrophobicContact CG1-CD2 4.28Å; V655-F766 HydrophobicContact CG1-CE1 4.43Å; V655-F766 HydrophobicContact CG1-CG 3.94Å; V655-F766 HydrophobicContact CG2-CD1 3.94Å; V655-F766 HydrophobicContact CG2-CE1 4.21Å
656C86.4Confident84.8Confident57 Ų5753.2 Ų53.239%0.38526%0.262SS..EExtended strand (participates in β ladder)trans-86.6-34.7-167.2-53.20000114.2L664C656-L664 PolarHBondContact N-O 3.02Å
657E88.8Confident85.3Confident111 Ų11153.3 Ų53.352%0.51926%0.261SS..EExtended strand (participates in β ladder)trans-130.9143.5-177.2-64.9-174.5-146.800111A663 L664 W719E657-A663 CarbonylContact O-C 3.49Å; E657-A663 WeakPolarHBondContact O-CA 3.37Å; E657-A663 WeakPolarHBondContact O-CB 3.49Å; E657-L664 HydrophobicContact CB-CB 4.09Å; E657-L664 PolarHBondContact O-N 3.34Å; E657-W719 HydrophobicContact CB-CH2 4.44Å
658V89.5Confident85.8Confident38 Ų3859.3 Ų59.323%0.2329%0.289CS..EExtended strand (participates in β ladder)trans-142122.2177.7-168.90000111.4V655 A663 F766 R767 T768 K769V655-V658 HydrophobicContact CG1-CG2 4.04Å; V658-A663 HydrophobicContact CG1-CB 4.48Å; V658-A663 HydrophobicContact CG2-CB 4.28Å; V658-F766 HydrophobicContact CG1-CD2 4.04Å; V658-F766 HydrophobicContact CG2-CB 4.25Å; V658-F766 HydrophobicContact CG2-CD2 3.95Å; V658-F766 HydrophobicContact CG2-CG 4.45Å; V658-R767 WeakPolarHBondContact CG1-O 3.36Å; V658-T768 HydrophobicContact CG1-CG2 4.21Å; V658-K769 WeakPolarHBondContact O-CE 3.38Å; V658-K769 PolarHBondContact O-NZ 3.27Å
659G87.6Confident85.7Confident12 Ų1261.1 Ų61.112%0.12430%0.3CS..  trans-99.2-148.3178.400000113.6E662 K769G659-E662 PolarHBondContact N-O 3.19Å; G659-K769 PolarHBondContact O-N 2.61Å
660I86.5Confident85.5Confident66 Ų6656.1 Ų56.134%0.33828%0.282SS..SBendtrans-87.9-36.1174.8-59.5170.5000110.5P725 K769 T771I660-P725 HydrophobicContact CG2-CB 4.13Å; I660-P725 HydrophobicContact CG2-CG 4.02Å; I660-P725 WeakPolarHBondContact O-CA 3.39Å; I660-K769 HydrophobicContact CG1-CB 4.01Å; I660-T771 HydrophobicContact CG2-CG2 3.86Å
661R87.3Confident85.2Confident128 Ų12860 Ų6048%0.48330%0.303SS..SBendtrans-135.118.5-178.3-61.9-159.6170.8-167.9-5.9114G722 L723 P725 E774R661-G722 PolarHBondContact O-N 3Å; R661-L723 VanDerWaalsContact CA-O 3.31Å; R661-L723 WeakPolarHBondContact CA-O 3.41Å; R661-L723 WeakPolarHBondContact CB-O 3.4Å; R661-L723 WeakPolarHBondContact CG-O 3.45Å; R661-L723 PolarHBondContact O-N 2.91Å; R661-P725 HydrophobicContact CG-CG 4.43Å; R661-E774 IonicContact NH2-OE1 3.4Å
662E90.1Very high84.6Confident80 Ų8055 Ų5537%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-149157.5-173.171.3-144.9140.900112.7G659 W719 I720 F721G659-E662 PolarHBondContact N-O 3.19Å; E662-W719 HydrophobicContact CG-CZ3 4.18Å; E662-I720 CarbonylContact C-O 3.52Å; E662-I720 WeakPolarHBondContact CA-O 3.48Å; E662-F721 HydrophobicContact CB-CD1 3.78Å; E662-F721 HydrophobicContact CB-CE1 4.2Å
663A89.6Confident83.9Confident0 Ų056.1 Ų56.10%029%0.29CS..EExtended strand (participates in β ladder)trans-151.2161.6168.400000111.5V655 E657 V658 I720 L723 F766V655-A663 HydrophobicContact CG1-CB 4.08Å; E657-A663 CarbonylContact O-C 3.49Å; E657-A663 WeakPolarHBondContact O-CA 3.37Å; E657-A663 WeakPolarHBondContact O-CB 3.49Å; V658-A663 HydrophobicContact CG1-CB 4.48Å; V658-A663 HydrophobicContact CG2-CB 4.28Å; A663-I720 PolarHBondContact N-O 2.85Å; A663-I720 PolarHBondContact O-N 2.88Å; A663-L723 HydrophobicContact CB-CD1 3.98Å; A663-F766 HydrophobicContact CB-CD2 4.03Å; A663-F766 HydrophobicContact CB-CE2 3.41Å; A663-F766 VanDerWaalsContact CB-CE2 3.41Å; A663-F766 HydrophobicContact CB-CZ 3.9Å
664L91.5Very high82.8Confident5 Ų562.2 Ų62.23%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-118.4120.4179.2175.955000110.9V655 C656 E657 K666 E717 W719V655-L664 CarbonylContact C-O 3.45Å; V655-L664 WeakPolarHBondContact CA-O 3.48Å; C656-L664 PolarHBondContact N-O 3.02Å; E657-L664 HydrophobicContact CB-CB 4.09Å; E657-L664 PolarHBondContact O-N 3.34Å; L664-K666 VanDerWaalsContact CD2-CE 3.42Å; L664-K666 HydrophobicContact CG-CG 4.36Å; L664-E717 HydrophobicContact CD1-CB 4.34Å; L664-W719 HydrophobicContact CB-CD2 4.12Å; L664-W719 HydrophobicContact CB-CE3 4.02Å; L664-W719 HydrophobicContact CB-CH2 4.04Å; L664-W719 HydrophobicContact CB-CZ2 4.14Å; L664-W719 HydrophobicContact CB-CZ3 3.98Å; L664-W719 HydrophobicContact CD1-CD2 4.03Å; L664-W719 HydrophobicContact CD1-CG 4.01Å; L664-W719 HydrophobicContact CD2-CH2 4.33Å; L664-W719 HydrophobicContact CD2-CZ2 3.77Å; L664-W719 HydrophobicContact CG-CZ2 4.37Å
665A88.2Confident81.4Confident0 Ų056.9 Ų56.90%030%0.297CS..EExtended strand (participates in β ladder)trans-104.6141.5175.700000111.7E654 L694 E717 Q718 I720E654-A665 CarbonylContact O-C 3.54Å; E654-A665 VanDerWaalsContact O-CA 3.25Å; E654-A665 WeakPolarHBondContact O-CA 3.34Å; A665-L694 HydrophobicContact CB-CD2 4.12Å; A665-E717 CarbonylContact O-C 3.5Å; A665-E717 VanDerWaalsContact O-CA 3.3Å; A665-E717 WeakPolarHBondContact O-CA 3.34Å; A665-Q718 PolarHBondContact N-O 2.87Å; A665-Q718 PolarHBondContact O-N 2.95Å; A665-I720 HydrophobicContact CB-CD1 4.05Å
666K88.2Confident79.9Confident70 Ų7057.8 Ų57.830%0.30431%0.308SS..EExtended strand (participates in β ladder)trans-138.6154.5-179.7-51.7-159.4-175.3-150.70112.2P653 E654 L664 C716 E717P653-K666 CarbonylContact C-O 3.55Å; P653-K666 WeakPolarHBondContact CA-O 3.29Å; E654-K666 PolarHBondContact N-O 3.35Å; E654-K666 PolarHBondContact O-N 2.79Å; L664-K666 VanDerWaalsContact CD2-CE 3.42Å; L664-K666 HydrophobicContact CG-CG 4.36Å; K666-C716 WeakPolarHBondContact CA-O 3.3Å; K666-E717 HydrophobicContact CB-CB 4.44Å; K666-E717 HydrophobicContact CD-CB 4.17Å; K666-E717 VanDerWaalsContact CE-OE2 3.25Å; K666-E717 WeakPolarHBondContact CE-OE2 3.08Å; K666-E717 HydrophobicContact CG-CB 3.84Å; K666-E717 IonicContact NZ-OE2 2.9Å; K666-E717 PolarHBondContact NZ-OE2 2.81Å
667W85.6Confident78.5Confident22 Ų2258.1 Ų58.18%0.08331%0.314CS..  trans-153.9-17717962.2100.5000112.1Y692 C711 Q715 C716 Q718 F733W667-Y692 AromaticContact NE1-CD2 3.67Å; W667-Y692 AromaticContact NE1-CE2 3.82Å; W667-Y692 AromaticContact NE1-CG 3.85Å; W667-C711 HydrophobicContact CH2-CB 3.65Å; W667-C711 VanDerWaalsContact CH2-SG 3.58Å; W667-C711 HydrophobicContact CZ2-CB 3.45Å; W667-C711 VanDerWaalsContact CZ2-CB 3.45Å; W667-Q715 WeakPolarHBondContact CH2-O 3.47Å; W667-Q715 WeakPolarHBondContact CZ2-O 3.36Å; W667-C716 PolarHBondContact N-O 2.91Å; W667-Q718 HydrophobicContact CH2-CB 3.94Å; W667-Q718 HydrophobicContact CZ3-CB 3.8Å; W667-F733 HydrophobicContact CB-CE2 3.88Å; W667-F733 HydrophobicContact CB-CZ 3.9Å; W667-F733 AromaticContact CD1-CZ 3.88Å; W667-F733 HydrophobicContact CD2-CE1 4.3Å; W667-F733 HydrophobicContact CD2-CE2 4.38Å; W667-F733 AromaticContact CD2-CZ 3.5Å; W667-F733 HydrophobicContact CD2-CZ 3.5Å; W667-F733 VanDerWaalsContact CD2-CZ 3.5Å; W667-F733 AromaticContact CE2-CZ 3.9Å; W667-F733 AromaticContact CE3-CZ 3.86Å; W667-F733 HydrophobicContact CE3-CZ 3.86Å; W667-F733 AromaticContact CG-CE2 3.95Å; W667-F733 HydrophobicContact CG-CE2 3.95Å; W667-F733 AromaticContact CG-CZ 3.5Å; W667-F733 HydrophobicContact CG-CZ 3.5Å
668Q81.6Confident76.6Confident135 Ų13561.1 Ų61.163%0.63133%0.334SS*.  trans-114150.5178.4-64.1-175.7-0.600111.5
669P74.7Confident75Confident75 Ų7563.5 Ų63.549%0.48737%0.366SS..PPolyproline II helixtrans-59.8150172.6-25.735.5000114Y692 N713P669-Y692 WeakPolarHBondContact CA-OH 3.15Å; P669-N713 WeakPolarHBondContact CB-OD1 3.38Å
670L73.9Confident73.5Confident11 Ų1164.7 Ų64.76%0.05838%0.379CS..PPolyproline II helixtrans-65.2134.3166.6-178.961.9000111.3M646 I650 F690 Y692M646-L670 HydrophobicContact CG-CD2 4.48Å; M646-L670 WeakPolarHBondContact O-CD1 3.33Å; I650-L670 HydrophobicContact CG1-CD1 4.1Å; L670-F690 HydrophobicContact CD2-CD1 4.35Å; L670-F690 HydrophobicContact CD2-CE1 4.19Å; L670-F690 HydrophobicContact CD2-CE2 4.45Å; L670-F690 HydrophobicContact CD2-CZ 4.24Å; L670-Y692 PolarHBondContact N-OH 3.06Å
671D71.5Confident71.7Confident111 Ų11164.8 Ų64.859%0.59438%0.383SS*.PPolyproline II helixtrans-83.4120.7173.6-173.8-8.9000110.7S673D671-S673 WeakPolarHBondContact OD1-CB 3.24Å; D671-S673 PolarHBondContact OD1-N 2.68Å; D671-S673 PolarHBondContact OD1-OG 3.17Å; D671-S673 PolarHBondContact OD2-OG 2.96Å
672C67.6Low70.2Confident18 Ų1860 Ų6012%0.12237%0.367CS..  trans-106.17.8-178.7-53.60000113.3E674 A675 F690C672-E674 VanDerWaalsContact C-N 3.28Å; C672-E674 PolarHBondContact O-N 3.43Å; C672-A675 WeakPolarHBondContact O-CB 3.07Å; C672-A675 PolarHBondContact O-N 3.06Å; C672-F690 VanDerWaalsContact SG-CE2 3.52Å
673S68.4Low68.6Low78 Ų7860.1 Ų60.155%0.54537%0.374SS..G310 helixtrans-57.6-34.5-171.555.20000114.4D671 A675 A676D671-S673 WeakPolarHBondContact OD1-CB 3.24Å; D671-S673 PolarHBondContact OD1-N 2.68Å; D671-S673 PolarHBondContact OD1-OG 3.17Å; D671-S673 PolarHBondContact OD2-OG 2.96Å; S673-A675 VanDerWaalsContact C-N 3.32Å; S673-A675 PolarHBondContact O-N 2.79Å; S673-A676 PolarHBondContact O-N 3.18Å
674E64Low67.2Low129 Ų12967.7 Ų67.760%0.60341%0.409SS*.G310 helixtrans-69.1-24.7177.6-72.6178-16000113.8R649 C672 A676R649-E674 IonicContact CZ-OE1 3.01Å; R649-E674 IonicContact CZ-OE2 3.9Å; R649-E674 IonicContact NH1-OE1 2.85Å; R649-E674 PolarHBondContact NH1-OE1 2.84Å; R649-E674 IonicContact NH1-OE2 2.73Å; R649-E674 PolarHBondContact NH1-OE2 2.81Å; R649-E674 IonicContact NH2-OE1 3.87Å; R649-E674 PolarHBondContact NH2-OE1 2.99Å; R649-E674 IonicContact NH2-OE2 2.74Å; R649-E674 PolarHBondContact NH2-OE2 2.89Å; C672-E674 VanDerWaalsContact C-N 3.28Å; C672-E674 PolarHBondContact O-N 3.43Å; E674-A676 VanDerWaalsContact C-N 3.33Å
675A59.5Low65.8Low21 Ų2168.5 Ų68.517%0.17441%0.414CS..G310 helixtrans-78.1-17.1178.800000113.2M646 C672 S673 A677M646-A675 HydrophobicContact SD-CB 4.38Å; C672-A675 WeakPolarHBondContact O-CB 3.07Å; C672-A675 PolarHBondContact O-N 3.06Å; S673-A675 VanDerWaalsContact C-N 3.32Å; S673-A675 PolarHBondContact O-N 2.79Å; A675-A677 PolarHBondContact O-N 3.04Å
676A57.1Low64.6Low46 Ų4673 Ų7338%0.3844%0.437SS..G310 helixtrans-9210.9-171.400000115S673 E674 Q684S673-A676 PolarHBondContact O-N 3.18Å; E674-A676 VanDerWaalsContact C-N 3.33Å; A676-Q684 HydrophobicContact CB-CG 4.45Å
677A56.7Low63.5Low64 Ų6471 Ų7153%0.52944%0.435SS..  trans-75.2130.6-174.300000113.4A675 G679 G680A675-A677 PolarHBondContact O-N 3.04Å; A677-G679 PolarHBondContact O-N 3.31Å; A677-G680 PolarHBondContact O-N 2.85Å
678N49.9Very low62.6Low174 Ų17474 Ų7493%0.9346%0.458SS*.THydrogen-bonded Turntrans-56.4124.2177.4-78.9-37.7000112
679G55.4Low61.8Low88 Ų8870.2 Ų70.291%0.90744%0.441SS*.THydrogen-bonded Turntrans87.32.1-175.700000114.5A677A677-G679 PolarHBondContact O-N 3.31Å
680G55.3Low61.4Low37 Ų3766.8 Ų66.838%0.38142%0.418SS..  trans-69.9159.9164.900000112.5A677 F682A677-G680 PolarHBondContact O-N 2.85Å; G680-F682 VanDerWaalsContact C-N 3.34Å
681P49.3Very low61.2Low68 Ų6867.2 Ų67.244%0.44242%0.421SS..SBendtrans-83.9-7.7-174.935-37.9000114.2E639E639-P681 HydrophobicContact CB-CB 4.43Å; E639-P681 HydrophobicContact CB-CG 3.79Å; E639-P681 VanDerWaalsContact CD-CB 3.42Å; E639-P681 HydrophobicContact CG-CB 4.07Å; E639-P681 HydrophobicContact CG-CG 3.71Å; E639-P681 WeakPolarHBondContact OE1-CB 3.42Å
682F55.8Low61.4Low29 Ų2962 Ų6213%0.12739%0.393CS..SBendtrans-98.6135.7178.5-59.9-61.7000110.4M635 E639 L643 G680 L747M635-F682 HydrophobicContact CE-CE1 4.12Å; M635-F682 HydrophobicContact SD-CE1 4.15Å; E639-F682 HydrophobicContact CB-CE2 4.31Å; E639-F682 HydrophobicContact CB-CZ 3.9Å; E639-F682 WeakPolarHBondContact O-CZ 3.43Å; L643-F682 HydrophobicContact CB-CE2 4.42Å; L643-F682 HydrophobicContact CB-CZ 4.08Å; L643-F682 HydrophobicContact CD1-CD1 4.34Å; L643-F682 HydrophobicContact CD1-CE1 3.72Å; L643-F682 HydrophobicContact CD1-CZ 3.84Å; L643-F682 HydrophobicContact CG-CZ 4.49Å; G680-F682 VanDerWaalsContact C-N 3.34Å; F682-L747 HydrophobicContact CD1-CD1 4.46Å; F682-L747 HydrophobicContact CE1-CD1 4.24Å
683P56Low62Low81 Ų8161.5 Ų61.553%0.52639%0.389SS..PPolyproline II helixtrans-62.7156.5162.630.7-34.4000109.2I685P683-I685 WeakPolarHBondContact O-CG1 3.47Å; P683-I685 PolarHBondContact O-N 2.93Å; P683-I685 VanDerWaalsContact O-N 3.09Å
684Q60.6Low62.8Low159 Ų15957.8 Ų57.874%0.74336%0.363SS*.PPolyproline II helixtrans-58.4117.4178-68.3-178.9-47.100110.5A676A676-Q684 HydrophobicContact CB-CG 4.45Å
685I62.3Low63.9Low23 Ų2352.4 Ų52.412%0.11834%0.338CS..PPolyproline II helixtrans-95.2125.3176.2-54.9-179.8000107.7P683 F690 L738 L747P683-I685 WeakPolarHBondContact O-CG1 3.47Å; P683-I685 PolarHBondContact O-N 2.93Å; P683-I685 VanDerWaalsContact O-N 3.09Å; I685-F690 HydrophobicContact CG2-CE2 3.79Å; I685-F690 HydrophobicContact CG2-CZ 4Å; I685-L738 HydrophobicContact CD1-CD1 4.3Å; I685-L738 HydrophobicContact CG2-CD2 3.73Å; I685-L747 HydrophobicContact CD1-CD2 3.88Å
686D63.9Low65.2Low93 Ų9351.5 Ų51.550%0.49733%0.331SS..PPolyproline II helixtrans-80.4137.3174.7-168.6-64.9000110.1S688 E689D686-S688 VanDerWaalsContact CG-OG 3.31Å; D686-S688 PolarHBondContact O-N 3.03Å; D686-S688 VanDerWaalsContact O-N 3.09Å; D686-S688 VanDerWaalsContact OD1-CB 3.25Å; D686-S688 WeakPolarHBondContact OD1-CB 3.42Å; D686-S688 PolarHBondContact OD1-N 2.58Å; D686-S688 PolarHBondContact OD1-OG 2.76Å; D686-E689 HydrophobicContact CB-CG 4.38Å; D686-E689 WeakPolarHBondContact O-CB 3.26Å; D686-E689 PolarHBondContact O-N 3.39Å
687A64.5Low66.5Low30 Ų3051.6 Ų51.625%0.24832%0.321CS..G310 helixtrans-58.6-25.5179.300000112.6E689 F690 N713A687-E689 PolarHBondContact O-N 2.79Å; A687-F690 PolarHBondContact O-N 3.11Å; A687-N713 WeakPolarHBondContact O-CB 2.99Å; A687-N713 PolarHBondContact O-ND2 2.85Å
688S66.4Low67.9Low83 Ų8349.2 Ų49.258%0.5830%0.299SS*.G310 helixtrans-67.9-12.9175.663.30000114.8D686 F690D686-S688 VanDerWaalsContact CG-OG 3.31Å; D686-S688 PolarHBondContact O-N 3.03Å; D686-S688 VanDerWaalsContact O-N 3.09Å; D686-S688 VanDerWaalsContact OD1-CB 3.25Å; D686-S688 WeakPolarHBondContact OD1-CB 3.42Å; D686-S688 PolarHBondContact OD1-N 2.58Å; D686-S688 PolarHBondContact OD1-OG 2.76Å; S688-F690 VanDerWaalsContact C-N 3.29Å; S688-F690 PolarHBondContact O-N 2.88Å
689E64.2Low69.1Low56 Ų5648.8 Ų48.826%0.26228%0.284SS..G310 helixtrans-75.4-14.4177-64.4-177.1-172.900113.7D686 A687 L738 W739D686-E689 HydrophobicContact CB-CG 4.38Å; D686-E689 WeakPolarHBondContact O-CB 3.26Å; D686-E689 PolarHBondContact O-N 3.39Å; A687-E689 PolarHBondContact O-N 2.79Å; E689-L738 HydrophobicContact CB-CD2 3.58Å; E689-L738 WeakPolarHBondContact O-CA 3.37Å; E689-W739 PolarHBondContact O-N 3.34Å
690F68Low69.5Low3 Ų351.5 Ų51.51%0.01327%0.267CS..EExtended strand (participates in β ladder)trans-86.8141.4-176-67.8-81.6000114M646 L647 L670 C672 I685 A687 S688 N713 C736 L738M646-F690 HydrophobicContact CE-CE1 4.19Å; M646-F690 HydrophobicContact CE-CZ 3.75Å; L647-F690 HydrophobicContact CD2-CD1 4.47Å; L647-F690 HydrophobicContact CD2-CE1 3.96Å; L670-F690 HydrophobicContact CD2-CD1 4.35Å; L670-F690 HydrophobicContact CD2-CE1 4.19Å; L670-F690 HydrophobicContact CD2-CE2 4.45Å; L670-F690 HydrophobicContact CD2-CZ 4.24Å; C672-F690 VanDerWaalsContact SG-CE2 3.52Å; I685-F690 HydrophobicContact CG2-CE2 3.79Å; I685-F690 HydrophobicContact CG2-CZ 4Å; A687-F690 PolarHBondContact O-N 3.11Å; S688-F690 VanDerWaalsContact C-N 3.29Å; S688-F690 PolarHBondContact O-N 2.88Å; F690-N713 PolarHBondContact O-N 2.99Å; F690-C736 VanDerWaalsContact CD1-SG 3.53Å; F690-L738 HydrophobicContact CD1-CD2 3.82Å; F690-L738 HydrophobicContact CD1-CG 4.34Å; F690-L738 HydrophobicContact CD2-CD2 4.18Å; F690-L738 HydrophobicContact CE1-CD2 3.61Å; F690-L738 HydrophobicContact CE1-CG 4.01Å; F690-L738 HydrophobicContact CE2-CD2 3.97Å; F690-L738 HydrophobicContact CG-CD2 4.12Å; F690-L738 HydrophobicContact CZ-CD2 3.69Å; F690-L738 HydrophobicContact CZ-CG 4.43Å
691T69.1Low69.6Low21 Ų2156.7 Ų56.713%0.12929%0.291CS..EExtended strand (participates in β ladder)trans-115131173.7-51.90000111.1C736 Y737T691-C736 WeakPolarHBondContact O-CA 3.46Å; T691-Y737 HydrophobicContact CG2-CE2 4.23Å; T691-Y737 PolarHBondContact N-O 3.23Å
692Y75.8Confident70Confident1 Ų160 Ų600%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-96.1150.2174-54.5-90.3000111.9W667 P669 L670 K710 C711 N713 F733W667-Y692 AromaticContact NE1-CD2 3.67Å; W667-Y692 AromaticContact NE1-CE2 3.82Å; W667-Y692 AromaticContact NE1-CG 3.85Å; P669-Y692 WeakPolarHBondContact CA-OH 3.15Å; L670-Y692 PolarHBondContact N-OH 3.06Å; Y692-K710 WeakPolarHBondContact O-CA 3.29Å; Y692-C711 PolarHBondContact N-O 3.29Å; Y692-C711 PolarHBondContact O-N 2.92Å; Y692-N713 HydrophobicContact CE2-CB 3.9Å; Y692-N713 VanDerWaalsContact CE2-OD1 3.25Å; Y692-N713 WeakPolarHBondContact CE2-OD1 3.31Å; Y692-N713 VanDerWaalsContact OH-CG 3.29Å; Y692-N713 PolarHBondContact OH-ND2 2.82Å; Y692-N713 PolarHBondContact OH-OD1 3.06Å; Y692-F733 HydrophobicContact CD1-CE1 4.5Å; Y692-F733 HydrophobicContact CG-CE1 4.44Å
693E79.5Confident70Confident8 Ų860.9 Ų60.94%0.03732%0.318CS..EExtended strand (participates in β ladder)trans-124.397.6176.2-173.5169.4114.700111.1K708 K710 F733 N734E693-K708 HydrophobicContact CG-CD 4.37Å; E693-K708 HydrophobicContact CG-CG 4.22Å; E693-K708 WeakPolarHBondContact OE1-CE 3.45Å; E693-K708 IonicContact OE1-NZ 3.03Å; E693-K708 PolarHBondContact OE1-NZ 3.37Å; E693-K708 WeakPolarHBondContact OE2-CE 3.42Å; E693-K708 IonicContact OE2-NZ 3.13Å; E693-K708 PolarHBondContact OE2-NZ 3.35Å; E693-K710 WeakPolarHBondContact OE2-CE 3.44Å; E693-K710 IonicContact OE2-NZ 3.04Å; E693-F733 WeakPolarHBondContact O-CA 3.41Å; E693-N734 HydrophobicContact CB-CB 4.33Å; E693-N734 HydrophobicContact CG-CB 4.16Å; E693-N734 PolarHBondContact O-N 2.89Å; E693-N734 PolarHBondContact OE1-ND2 3.4Å
694L86.1Confident70.2Confident0 Ų064.7 Ų64.70%033%0.326CS..EExtended strand (participates in β ladder)trans-86.4121.4-179.6-179.472.9000110.4P653 A665 K708 Y709 Q718 I720 T731 F733P653-L694 HydrophobicContact CB-CD1 3.81Å; P653-L694 HydrophobicContact CG-CD1 3.59Å; A665-L694 HydrophobicContact CB-CD2 4.12Å; L694-K708 WeakPolarHBondContact O-CA 3.21Å; L694-Y709 HydrophobicContact CD2-CD2 4.34Å; L694-Y709 PolarHBondContact N-O 3.2Å; L694-Y709 PolarHBondContact O-N 2.77Å; L694-Q718 HydrophobicContact CD2-CB 4.1Å; L694-Q718 HydrophobicContact CD2-CG 4.06Å; L694-I720 HydrophobicContact CD2-CD1 4.39Å; L694-T731 WeakPolarHBondContact CD1-OG1 3.37Å; L694-F733 HydrophobicContact CB-CD1 4.2Å; L694-F733 HydrophobicContact CB-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CD1 4.28Å; L694-F733 HydrophobicContact CD1-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CZ 4.09Å; L694-F733 HydrophobicContact CG-CE1 4.49Å
695M86Confident70.3Confident16 Ų1660.1 Ų60.18%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-103.1137.4179.9-65.1-66.6-69.500110.9W697 V705 K708 T731 Y732 N734M695-W697 HydrophobicContact CE-CZ2 4.04Å; M695-V705 HydrophobicContact CE-CG1 3.87Å; M695-V705 HydrophobicContact CE-CG2 4.04Å; M695-K708 HydrophobicContact SD-CB 3.9Å; M695-K708 HydrophobicContact SD-CD 3.84Å; M695-K708 HydrophobicContact SD-CG 3.83Å; M695-T731 CarbonylContact O-C 3.35Å; M695-T731 WeakPolarHBondContact O-CA 3.46Å; M695-T731 VanDerWaalsContact O-CB 3.28Å; M695-T731 WeakPolarHBondContact O-CB 3.4Å; M695-T731 PolarHBondContact O-OG1 3.12Å; M695-Y732 HydrophobicContact CB-CD1 4.46Å; M695-Y732 HydrophobicContact CB-CD2 4.46Å; M695-Y732 HydrophobicContact CB-CE1 4.2Å; M695-Y732 HydrophobicContact CB-CE2 4.16Å; M695-Y732 HydrophobicContact CG-CE2 4.19Å; M695-Y732 PolarHBondContact N-O 2.95Å; M695-Y732 PolarHBondContact O-N 2.85Å; M695-Y732 VanDerWaalsContact O-N 3.11Å; M695-N734 HydrophobicContact CG-CB 3.7Å; M695-N734 HydrophobicContact SD-CB 4.48Å
696L88.5Confident70.3Confident2 Ų261.2 Ų61.21%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-122.9137.7175.3176.679.3000110V705 A706 G707 Y709 I720 L723 Y729 F766L696-V705 CarbonylContact O-C 3.54Å; L696-A706 HydrophobicContact CD2-CB 3.9Å; L696-A706 HydrophobicContact CG-CB 4.08Å; L696-A706 PolarHBondContact O-N 2.82Å; L696-G707 PolarHBondContact N-O 2.94Å; L696-G707 PolarHBondContact O-N 2.81Å; L696-G707 VanDerWaalsContact O-N 3.15Å; L696-Y709 HydrophobicContact CB-CE2 4.21Å; L696-Y709 HydrophobicContact CD2-CE2 4.47Å; L696-I720 HydrophobicContact CD1-CD1 4.3Å; L696-I720 HydrophobicContact CD1-CG2 4.32Å; L696-I720 HydrophobicContact CD2-CG2 3.52Å; L696-I720 HydrophobicContact CG-CG2 4.48Å; L696-L723 HydrophobicContact CD2-CD2 3.92Å; L696-Y729 HydrophobicContact CD1-CD1 4.22Å; L696-Y729 HydrophobicContact CD2-CD1 4.44Å; L696-Y729 HydrophobicContact CG-CD1 4.32Å; L696-F766 HydrophobicContact CD1-CE1 3.94Å; L696-F766 HydrophobicContact CD1-CZ 3.85Å
697W84Confident70.6Confident47 Ų4757.4 Ų57.418%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-133.8139.1-176.6-60.573.9000110.8M695 A703 V705 Y729 F730 Y732M695-W697 HydrophobicContact CE-CZ2 4.04Å; W697-A703 HydrophobicContact CE3-CB 4.1Å; W697-A703 HydrophobicContact CZ3-CB 4.14Å; W697-A703 WeakPolarHBondContact CZ3-O 3.23Å; W697-V705 HydrophobicContact CD2-CG2 4.04Å; W697-V705 HydrophobicContact CE3-CG2 3.96Å; W697-V705 HydrophobicContact CH2-CG2 3.56Å; W697-V705 HydrophobicContact CZ2-CG2 3.62Å; W697-V705 HydrophobicContact CZ3-CG2 3.74Å; W697-Y729 CarbonylContact O-C 3.58Å; W697-Y729 WeakPolarHBondContact O-CA 3.21Å; W697-Y729 WeakPolarHBondContact O-CD1 3.26Å; W697-F730 HydrophobicContact CB-CD1 3.88Å; W697-F730 HydrophobicContact CB-CD2 3.99Å; W697-F730 HydrophobicContact CB-CE1 3.46Å; W697-F730 VanDerWaalsContact CB-CE1 3.46Å; W697-F730 HydrophobicContact CB-CE2 3.59Å; W697-F730 HydrophobicContact CB-CG 4.14Å; W697-F730 HydrophobicContact CB-CZ 3.31Å; W697-F730 AromaticContact CD1-CE2 3.79Å; W697-F730 HydrophobicContact CD2-CE2 4.25Å; W697-F730 HydrophobicContact CD2-CZ 4.12Å; W697-F730 HydrophobicContact CE3-CZ 4.41Å; W697-F730 HydrophobicContact CG-CD2 4.26Å; W697-F730 HydrophobicContact CG-CE1 4.31Å; W697-F730 AromaticContact CG-CE2 3.62Å; W697-F730 HydrophobicContact CG-CE2 3.62Å; W697-F730 AromaticContact CG-CZ 3.65Å; W697-F730 HydrophobicContact CG-CZ 3.65Å; W697-F730 PolarHBondContact N-O 2.96Å; W697-F730 PolarHBondContact O-N 3.16Å; W697-Y732 AromaticContact CD1-CE1 3.61Å; W697-Y732 AromaticContact CE2-CE1 3.86Å; W697-Y732 HydrophobicContact CZ2-CE1 4.39Å; W697-Y732 VanDerWaalsContact CZ2-OH 3.24Å; W697-Y732 WeakPolarHBondContact CZ2-OH 3.45Å; W697-Y732 AromaticContact NE1-CE1 3.09Å; W697-Y732 AromaticContact NE1-CZ 3.53Å; W697-Y732 PolarHBondContact NE1-OH 2.85Å
698E84.7Confident71.1Confident15 Ų1561.3 Ų61.37%0.0732%0.316CS..EExtended strand (participates in β ladder)trans-87.6131.2172.8-168.4-179.3168.800109.8R700 K704 A706 K724 T727 Y729E698-R700 HydrophobicContact CG-CG 4.31Å; E698-R700 PolarHBondContact O-N 2.97Å; E698-R700 IonicContact OE1-CZ 2.7Å; E698-R700 IonicContact OE1-NE 2.69Å; E698-R700 PolarHBondContact OE1-NE 2.69Å; E698-R700 IonicContact OE1-NH2 2.79Å; E698-R700 PolarHBondContact OE1-NH2 2.83Å; E698-R700 IonicContact OE2-NE 3.35Å; E698-K704 PolarHBondContact N-O 3.07Å; E698-K704 VanDerWaalsContact N-O 3.15Å; E698-A706 HydrophobicContact CB-CB 4.32Å; E698-K724 VanDerWaalsContact OE1-CD 3.24Å; E698-K724 WeakPolarHBondContact OE1-CD 3.36Å; E698-K724 IonicContact OE1-NZ 2.74Å; E698-K724 PolarHBondContact OE1-NZ 3.3Å; E698-K724 IonicContact OE2-NZ 2.74Å; E698-K724 PolarHBondContact OE2-NZ 3.14Å; E698-T727 HydrophobicContact CG-CG2 3.81Å; E698-T727 WeakPolarHBondContact OE1-CG2 3.39Å; E698-Y729 HydrophobicContact CB-CD1 4.09Å; E698-Y729 HydrophobicContact CB-CE1 3.79Å; E698-Y729 HydrophobicContact CG-CD1 4.32Å; E698-Y729 HydrophobicContact CG-CE1 3.84Å
699R75.6Confident71.6Confident164 Ų16459.7 Ų59.762%0.61930%0.297SS*.  trans-78.668.1-172.1-166.2176.4178.1151.2-1.4112.3D728R699-D728 HydrophobicContact CB-CB 3.88Å; R699-D728 WeakPolarHBondContact CB-O 3.33Å; R699-D728 PolarHBondContact N-O 3.38Å
700R64.5Low72Confident146 Ų14662.6 Ų62.655%0.55131%0.309SS*.SBendtrans-118167.6171.2-60.7-169.8-168.2-138.6-3111E698 D702 A703E698-R700 HydrophobicContact CG-CG 4.31Å; E698-R700 PolarHBondContact O-N 2.97Å; E698-R700 IonicContact OE1-CZ 2.7Å; E698-R700 IonicContact OE1-NE 2.69Å; E698-R700 PolarHBondContact OE1-NE 2.69Å; E698-R700 IonicContact OE1-NH2 2.79Å; E698-R700 PolarHBondContact OE1-NH2 2.83Å; E698-R700 IonicContact OE2-NE 3.35Å; R700-D702 PolarHBondContact O-N 3.38Å; R700-A703 PolarHBondContact O-N 3.06Å; R700-A703 VanDerWaalsContact O-N 3.12Å
701V57.2Low71.9Confident145 Ų14562.4 Ų62.488%0.87931%0.308SS*.THydrogen-bonded Turntrans-51.7-40.2-178.4-1780000112.4A703V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 2.81Å
702D58.3Low71.8Confident139 Ų13963.7 Ų63.774%0.74332%0.318SS*.THydrogen-bonded Turntrans-89.210.9-173.3-37.8-69000113.9R700 K704R700-D702 PolarHBondContact O-N 3.38Å; D702-K704 PolarHBondContact O-N 3.42Å; D702-K704 VanDerWaalsContact O-N 3.14Å
703A55.9Low71.1Confident47 Ų4764.5 Ų64.539%0.38832%0.322SS..  trans37.858.9175.800000113.7W697 R700 V701 V705W697-A703 HydrophobicContact CE3-CB 4.1Å; W697-A703 HydrophobicContact CZ3-CB 4.14Å; W697-A703 WeakPolarHBondContact CZ3-O 3.23Å; R700-A703 PolarHBondContact O-N 3.06Å; R700-A703 VanDerWaalsContact O-N 3.12Å; V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 2.81Å; A703-V705 PolarHBondContact O-N 2.82Å
704K59.9Low70.5Confident160 Ų16069 Ų6970%0.69635%0.354SS*.  trans-77.4123.6-177.2-167.3167.2-176.3172.50110.6E698 D702 A706E698-K704 PolarHBondContact N-O 3.07Å; E698-K704 VanDerWaalsContact N-O 3.15Å; D702-K704 PolarHBondContact O-N 3.42Å; D702-K704 VanDerWaalsContact O-N 3.14Å; K704-A706 PolarHBondContact O-N 3.34Å
705V61.2Low69.5Low63 Ų6374 Ų7438%0.38238%0.378SS..EExtended strand (participates in β ladder)trans-55.4113.7165.5-178.80000107.8M695 L696 W697 A703M695-V705 HydrophobicContact CE-CG1 3.87Å; M695-V705 HydrophobicContact CE-CG2 4.04Å; L696-V705 CarbonylContact O-C 3.54Å; W697-V705 HydrophobicContact CD2-CG2 4.04Å; W697-V705 HydrophobicContact CE3-CG2 3.96Å; W697-V705 HydrophobicContact CH2-CG2 3.56Å; W697-V705 HydrophobicContact CZ2-CG2 3.62Å; W697-V705 HydrophobicContact CZ3-CG2 3.74Å; A703-V705 PolarHBondContact O-N 2.82Å
706A63.5Low69.1Low47 Ų4775.1 Ų75.139%0.38839%0.387SS..EExtended strand (participates in β ladder)trans-93-18.7-179.300000112.1L696 E698 K704 Y729L696-A706 HydrophobicContact CD2-CB 3.9Å; L696-A706 HydrophobicContact CG-CB 4.08Å; L696-A706 PolarHBondContact O-N 2.82Å; E698-A706 HydrophobicContact CB-CB 4.32Å; K704-A706 PolarHBondContact O-N 3.34Å; A706-Y729 HydrophobicContact CB-CD1 4.36Å; A706-Y729 HydrophobicContact CB-CE1 4Å
707G69.3Low69Low13 Ų1379.8 Ų79.813%0.13441%0.409CS..EExtended strand (participates in β ladder)trans-169.8157.3173.700000112.7L696L696-G707 PolarHBondContact N-O 2.94Å; L696-G707 PolarHBondContact O-N 2.81Å; L696-G707 VanDerWaalsContact O-N 3.15Å
708K75.6Confident69.2Low112 Ų11279.6 Ų79.649%0.48741%0.41SS..EExtended strand (participates in β ladder)trans-140.7116.3172.1168169.2164.9147.40107.6E693 L694 M695E693-K708 HydrophobicContact CG-CD 4.37Å; E693-K708 HydrophobicContact CG-CG 4.22Å; E693-K708 WeakPolarHBondContact OE1-CE 3.45Å; E693-K708 IonicContact OE1-NZ 3.03Å; E693-K708 PolarHBondContact OE1-NZ 3.37Å; E693-K708 WeakPolarHBondContact OE2-CE 3.42Å; E693-K708 IonicContact OE2-NZ 3.13Å; E693-K708 PolarHBondContact OE2-NZ 3.35Å; L694-K708 WeakPolarHBondContact O-CA 3.21Å; M695-K708 HydrophobicContact SD-CB 3.9Å; M695-K708 HydrophobicContact SD-CD 3.84Å; M695-K708 HydrophobicContact SD-CG 3.83Å
709Y76.1Confident69.4Low48 Ų4883 Ų8319%0.18842%0.422CS..EExtended strand (participates in β ladder)trans-115128.4-174.7-53-94.8000108.8L694 L696 Q718 I720L694-Y709 HydrophobicContact CD2-CD2 4.34Å; L694-Y709 PolarHBondContact N-O 3.2Å; L694-Y709 PolarHBondContact O-N 2.77Å; L696-Y709 HydrophobicContact CB-CE2 4.21Å; L696-Y709 HydrophobicContact CD2-CE2 4.47Å; Y709-Q718 HydrophobicContact CD1-CG 3.99Å; Y709-Q718 HydrophobicContact CG-CG 3.97Å; Y709-I720 HydrophobicContact CE2-CG1 4.28Å; Y709-I720 HydrophobicContact CE2-CG2 4.41Å
710K73.7Confident70Confident117 Ų11775.2 Ų75.251%0.50939%0.393SS..EExtended strand (participates in β ladder)trans-101126.3172.5-71.7-163.8175.6-163.80109.2Y692 E693 Y737Y692-K710 WeakPolarHBondContact O-CA 3.29Å; E693-K710 WeakPolarHBondContact OE2-CE 3.44Å; E693-K710 IonicContact OE2-NZ 3.04Å; K710-Y737 PolarHBondContact NZ-OH 2.98Å
711C66.3Low71.1Confident0 Ų074.2 Ų74.20%039%0.393CS..EExtended strand (participates in β ladder)trans-129.1128.1-172.3-47.50000108.8W667 Y692W667-C711 HydrophobicContact CH2-CB 3.65Å; W667-C711 VanDerWaalsContact CH2-SG 3.58Å; W667-C711 HydrophobicContact CZ2-CB 3.45Å; W667-C711 VanDerWaalsContact CZ2-CB 3.45Å; Y692-C711 PolarHBondContact N-O 3.29Å; Y692-C711 PolarHBondContact O-N 2.92Å
712S65.8Low72.2Confident48 Ų4870.7 Ų70.734%0.33639%0.385SS..EExtended strand (participates in β ladder)trans-77.2157.6171.447.90000110.6S714 Q715S712-S714 PolarHBondContact O-N 3.01Å; S712-S714 PolarHBondContact OG-OG 3.33Å; S712-Q715 PolarHBondContact O-N 3.2Å
713N62.5Low73.6Confident17 Ų1764.3 Ų64.39%0.09135%0.351CS..THydrogen-bonded Turntrans-63.5-8.8179.8-146.97.9000114.5P669 A687 F690 Y692 Q715P669-N713 WeakPolarHBondContact CB-OD1 3.38Å; A687-N713 WeakPolarHBondContact O-CB 2.99Å; A687-N713 PolarHBondContact O-ND2 2.85Å; F690-N713 PolarHBondContact O-N 2.99Å; Y692-N713 HydrophobicContact CE2-CB 3.9Å; Y692-N713 VanDerWaalsContact CE2-OD1 3.25Å; Y692-N713 WeakPolarHBondContact CE2-OD1 3.31Å; Y692-N713 VanDerWaalsContact OH-CG 3.29Å; Y692-N713 PolarHBondContact OH-ND2 2.82Å; Y692-N713 PolarHBondContact OH-OD1 3.06Å; N713-Q715 VanDerWaalsContact C-N 3.28Å
714S65.8Low74.8Confident102 Ų10266.2 Ų66.271%0.71335%0.351SS*.THydrogen-bonded Turntrans-74.2-9.7166.953.70000114.8S712S712-S714 PolarHBondContact O-N 3.01Å; S712-S714 PolarHBondContact OG-OG 3.33Å
715Q64.7Low76Confident105 Ų10559.2 Ų59.249%0.49132%0.321SS..  trans-128.189.1-178.2-68.7-179.6-30.100109.2W667 S712 N713 E717W667-Q715 WeakPolarHBondContact CH2-O 3.47Å; W667-Q715 WeakPolarHBondContact CZ2-O 3.36Å; S712-Q715 PolarHBondContact O-N 3.2Å; N713-Q715 VanDerWaalsContact C-N 3.28Å; Q715-E717 PolarHBondContact O-N 2.8Å
716C78.3Confident77.1Confident40 Ų4057.5 Ų57.527%0.2731%0.314SS..  trans-84.913.5177.8-670000113.7K666 W667K666-C716 WeakPolarHBondContact CA-O 3.3Å; W667-C716 PolarHBondContact N-O 2.91Å
717E87Confident78Confident100 Ų10056.3 Ų56.347%0.46730%0.302SS..EExtended strand (participates in β ladder)trans-145.8146176.460.2178.4-155.800111.5L664 A665 K666 Q715L664-E717 HydrophobicContact CD1-CB 4.34Å; A665-E717 CarbonylContact O-C 3.5Å; A665-E717 VanDerWaalsContact O-CA 3.3Å; A665-E717 WeakPolarHBondContact O-CA 3.34Å; K666-E717 HydrophobicContact CB-CB 4.44Å; K666-E717 HydrophobicContact CD-CB 4.17Å; K666-E717 VanDerWaalsContact CE-OE2 3.25Å; K666-E717 WeakPolarHBondContact CE-OE2 3.08Å; K666-E717 HydrophobicContact CG-CB 3.84Å; K666-E717 IonicContact NZ-OE2 2.9Å; K666-E717 PolarHBondContact NZ-OE2 2.81Å; Q715-E717 PolarHBondContact O-N 2.8Å
718Q86.5Confident78.9Confident44 Ų4458.2 Ų58.221%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-140.9121.2-176.8178.561.968.200110.2A665 W667 L694 Y709A665-Q718 PolarHBondContact N-O 2.87Å; A665-Q718 PolarHBondContact O-N 2.95Å; W667-Q718 HydrophobicContact CH2-CB 3.94Å; W667-Q718 HydrophobicContact CZ3-CB 3.8Å; L694-Q718 HydrophobicContact CD2-CB 4.1Å; L694-Q718 HydrophobicContact CD2-CG 4.06Å; Y709-Q718 HydrophobicContact CD1-CG 3.99Å; Y709-Q718 HydrophobicContact CG-CG 3.97Å
719W89.7Confident79.5Confident87 Ų8753.2 Ų53.233%0.3329%0.287SS..EExtended strand (participates in β ladder)trans-77.3137.1167.7-81.495.3000111.1E657 E662 L664 F721E657-W719 HydrophobicContact CB-CH2 4.44Å; E662-W719 HydrophobicContact CG-CZ3 4.18Å; L664-W719 HydrophobicContact CB-CD2 4.12Å; L664-W719 HydrophobicContact CB-CE3 4.02Å; L664-W719 HydrophobicContact CB-CH2 4.04Å; L664-W719 HydrophobicContact CB-CZ2 4.14Å; L664-W719 HydrophobicContact CB-CZ3 3.98Å; L664-W719 HydrophobicContact CD1-CD2 4.03Å; L664-W719 HydrophobicContact CD1-CG 4.01Å; L664-W719 HydrophobicContact CD2-CH2 4.33Å; L664-W719 HydrophobicContact CD2-CZ2 3.77Å; L664-W719 HydrophobicContact CG-CZ2 4.37Å; W719-F721 HydrophobicContact CB-CD2 4.14Å; W719-F721 HydrophobicContact CB-CE1 4.32Å; W719-F721 HydrophobicContact CB-CE2 3.4Å; W719-F721 HydrophobicContact CB-CZ 3.51Å; W719-F721 HydrophobicContact CD2-CE1 4.4Å; W719-F721 HydrophobicContact CD2-CZ 4.06Å; W719-F721 HydrophobicContact CE3-CE1 4.06Å; W719-F721 HydrophobicContact CE3-CZ 4.18Å; W719-F721 HydrophobicContact CG-CE2 4.18Å; W719-F721 AromaticContact CG-CZ 3.81Å; W719-F721 HydrophobicContact CG-CZ 3.81Å
720I87.6Confident80.1Confident0 Ų053.1 Ų53.10%029%0.288CS..EExtended strand (participates in β ladder)trans-115.8101.1-177.5-60.1-178.8000107.4E662 A663 A665 L694 L696 Y709 L723E662-I720 CarbonylContact C-O 3.52Å; E662-I720 WeakPolarHBondContact CA-O 3.48Å; A663-I720 PolarHBondContact N-O 2.85Å; A663-I720 PolarHBondContact O-N 2.88Å; A665-I720 HydrophobicContact CB-CD1 4.05Å; L694-I720 HydrophobicContact CD2-CD1 4.39Å; L696-I720 HydrophobicContact CD1-CD1 4.3Å; L696-I720 HydrophobicContact CD1-CG2 4.32Å; L696-I720 HydrophobicContact CD2-CG2 3.52Å; L696-I720 HydrophobicContact CG-CG2 4.48Å; Y709-I720 HydrophobicContact CE2-CG1 4.28Å; Y709-I720 HydrophobicContact CE2-CG2 4.41Å; I720-L723 HydrophobicContact CG2-CD2 3.85Å; I720-L723 HydrophobicContact CG2-CG 4.36Å
721F87.4Confident80.8Confident125 Ų12547.6 Ų47.655%0.54826%0.264SS..EExtended strand (participates in β ladder)trans-102.6163.6-178.7-59.6-71.3000112.5E662 W719E662-F721 HydrophobicContact CB-CD1 3.78Å; E662-F721 HydrophobicContact CB-CE1 4.2Å; W719-F721 HydrophobicContact CB-CD2 4.14Å; W719-F721 HydrophobicContact CB-CE1 4.32Å; W719-F721 HydrophobicContact CB-CE2 3.4Å; W719-F721 HydrophobicContact CB-CZ 3.51Å; W719-F721 HydrophobicContact CD2-CE1 4.4Å; W719-F721 HydrophobicContact CD2-CZ 4.06Å; W719-F721 HydrophobicContact CE3-CE1 4.06Å; W719-F721 HydrophobicContact CE3-CZ 4.18Å; W719-F721 HydrophobicContact CG-CE2 4.18Å; W719-F721 AromaticContact CG-CZ 3.81Å; W719-F721 HydrophobicContact CG-CZ 3.81Å
722G81.5Confident81.8Confident70 Ų7049.4 Ų49.472%0.72227%0.271SS*.  trans87.213.617400000114.7R661R661-G722 PolarHBondContact O-N 3Å
723L86.5Confident82.6Confident5 Ų547.4 Ų47.43%0.02626%0.256CS..PPolyproline II helixtrans-66.9153.7177.7-52.8178.3000111.5R661 A663 L696 I720 Y729 F766 T768R661-L723 VanDerWaalsContact CA-O 3.31Å; R661-L723 WeakPolarHBondContact CA-O 3.41Å; R661-L723 WeakPolarHBondContact CB-O 3.4Å; R661-L723 WeakPolarHBondContact CG-O 3.45Å; R661-L723 PolarHBondContact O-N 2.91Å; A663-L723 HydrophobicContact CB-CD1 3.98Å; L696-L723 HydrophobicContact CD2-CD2 3.92Å; I720-L723 HydrophobicContact CG2-CD2 3.85Å; I720-L723 HydrophobicContact CG2-CG 4.36Å; L723-Y729 HydrophobicContact CB-CE2 3.88Å; L723-Y729 HydrophobicContact CD2-CD1 4.08Å; L723-Y729 HydrophobicContact CD2-CD2 4.2Å; L723-Y729 HydrophobicContact CD2-CE1 3.79Å; L723-Y729 HydrophobicContact CD2-CE2 3.91Å; L723-Y729 HydrophobicContact CD2-CG 4.28Å; L723-Y729 HydrophobicContact CG-CE2 4.35Å; L723-F766 HydrophobicContact CD1-CE2 3.64Å; L723-F766 HydrophobicContact CD1-CZ 4.17Å; L723-T768 HydrophobicContact CB-CG2 3.8Å; L723-T768 HydrophobicContact CD1-CG2 3.73Å; L723-T768 HydrophobicContact CG-CG2 4.45Å
724K82Confident83Confident87 Ų8749.4 Ų49.438%0.37827%0.267SS..PPolyproline II helixtrans-80145.3173.2-69159178.9168.20110.2E698 T727 Y729 T768E698-K724 VanDerWaalsContact OE1-CD 3.24Å; E698-K724 WeakPolarHBondContact OE1-CD 3.36Å; E698-K724 IonicContact OE1-NZ 2.74Å; E698-K724 PolarHBondContact OE1-NZ 3.3Å; E698-K724 IonicContact OE2-NZ 2.74Å; E698-K724 PolarHBondContact OE2-NZ 3.14Å; K724-T727 HydrophobicContact CB-CG2 4.25Å; K724-T727 VanDerWaalsContact CB-OG1 3.31Å; K724-T727 WeakPolarHBondContact CB-OG1 3.18Å; K724-Y729 PolarHBondContact N-OH 2.98Å; K724-T768 WeakPolarHBondContact O-CB 3.26Å; K724-T768 PolarHBondContact O-OG1 3.42Å
725P84.3Confident82.8Confident13 Ų1346.6 Ų46.68%0.08425%0.247CC..THydrogen-bonded Turntrans-58.9153.1169.7-22.534000112.6I660 R661 T727 T768 K769 T771 N799I660-P725 HydrophobicContact CG2-CB 4.13Å; I660-P725 HydrophobicContact CG2-CG 4.02Å; I660-P725 WeakPolarHBondContact O-CA 3.39Å; R661-P725 HydrophobicContact CG-CG 4.43Å; P725-T727 PolarHBondContact O-N 3.41Å; P725-T727 PolarHBondContact O-OG1 2.96Å; P725-T768 VanDerWaalsContact C-OG1 3.31Å; P725-K769 WeakPolarHBondContact CA-O 3.31Å; P725-T771 HydrophobicContact CB-CG2 4.09Å; P725-T771 HydrophobicContact CG-CG2 3.93Å; P725-N799 HydrophobicContact CB-CB 4.25Å; P725-N799 HydrophobicContact CG-CB 4.48Å
726A84.1Confident82.5Confident27 Ų2742.2 Ų42.222%0.22323%0.228CC..THydrogen-bonded Turntrans47.430.1175.200000116.1T768 K769 A770A726-T768 WeakPolarHBondContact CA-O 3.35Å; A726-T768 PolarHBondContact N-OG1 3.07Å; A726-K769 PolarHBondContact N-O 2.83Å; A726-A770 HydrophobicContact CB-CB 4.27Å
727T83Confident81.6Confident22 Ų2243.2 Ų43.214%0.13523%0.226CC..  trans-116.9142.7-170.1-62.60000111E698 K724 P725 Y729 R767 T768E698-T727 HydrophobicContact CG-CG2 3.81Å; E698-T727 WeakPolarHBondContact OE1-CG2 3.39Å; K724-T727 HydrophobicContact CB-CG2 4.25Å; K724-T727 VanDerWaalsContact CB-OG1 3.31Å; K724-T727 WeakPolarHBondContact CB-OG1 3.18Å; P725-T727 PolarHBondContact O-N 3.41Å; P725-T727 PolarHBondContact O-OG1 2.96Å; T727-Y729 HydrophobicContact CG2-CD2 4.18Å; T727-Y729 HydrophobicContact CG2-CE2 3.55Å; T727-R767 WeakPolarHBondContact O-CA 3.39Å; T727-T768 PolarHBondContact N-OG1 3.42Å; T727-T768 PolarHBondContact O-N 2.86Å; T727-T768 VanDerWaalsContact O-N 3.12Å; T727-T768 PolarHBondContact O-OG1 3.23Å
728D88.2Confident80Confident53 Ų5338.9 Ų38.928%0.28321%0.206SC..EExtended strand (participates in β ladder)trans-91.2135.8179.2-57.9-68.4000111.9R699 R767R699-D728 HydrophobicContact CB-CB 3.88Å; R699-D728 WeakPolarHBondContact CB-O 3.33Å; R699-D728 PolarHBondContact N-O 3.38Å; D728-R767 WeakPolarHBondContact OD1-CB 3.47Å; D728-R767 IonicContact OD1-CZ 3.69Å; D728-R767 IonicContact OD1-NE 2.71Å; D728-R767 PolarHBondContact OD1-NE 2.96Å; D728-R767 IonicContact OD1-NH2 3.12Å; D728-R767 PolarHBondContact OD1-NH2 3Å; D728-R767 IonicContact OD2-CZ 3.14Å; D728-R767 IonicContact OD2-NE 2.77Å; D728-R767 IonicContact OD2-NH2 2.64Å; D728-R767 PolarHBondContact OD2-NH2 3.41Å
729Y88.4Confident78.1Confident7 Ų745.3 Ų45.33%0.02723%0.229CC..EExtended strand (participates in β ladder)trans-133.8161-177.7-72.2-87.4000111.5L696 W697 E698 A706 L723 K724 T727 S765 F766 T768L696-Y729 HydrophobicContact CD1-CD1 4.22Å; L696-Y729 HydrophobicContact CD2-CD1 4.44Å; L696-Y729 HydrophobicContact CG-CD1 4.32Å; W697-Y729 CarbonylContact O-C 3.58Å; W697-Y729 WeakPolarHBondContact O-CA 3.21Å; W697-Y729 WeakPolarHBondContact O-CD1 3.26Å; E698-Y729 HydrophobicContact CB-CD1 4.09Å; E698-Y729 HydrophobicContact CB-CE1 3.79Å; E698-Y729 HydrophobicContact CG-CD1 4.32Å; E698-Y729 HydrophobicContact CG-CE1 3.84Å; A706-Y729 HydrophobicContact CB-CD1 4.36Å; A706-Y729 HydrophobicContact CB-CE1 4Å; L723-Y729 HydrophobicContact CB-CE2 3.88Å; L723-Y729 HydrophobicContact CD2-CD1 4.08Å; L723-Y729 HydrophobicContact CD2-CD2 4.2Å; L723-Y729 HydrophobicContact CD2-CE1 3.79Å; L723-Y729 HydrophobicContact CD2-CE2 3.91Å; L723-Y729 HydrophobicContact CD2-CG 4.28Å; L723-Y729 HydrophobicContact CG-CE2 4.35Å; K724-Y729 PolarHBondContact N-OH 2.98Å; T727-Y729 HydrophobicContact CG2-CD2 4.18Å; T727-Y729 HydrophobicContact CG2-CE2 3.55Å; Y729-S765 CarbonylContact O-C 3.53Å; Y729-S765 VanDerWaalsContact O-CA 3.31Å; Y729-S765 WeakPolarHBondContact O-CA 3.39Å; Y729-F766 HydrophobicContact CD2-CE2 4.46Å; Y729-F766 HydrophobicContact CG-CE2 4.49Å; Y729-F766 HydrophobicContact CG-CZ 4.3Å; Y729-F766 PolarHBondContact N-O 2.92Å; Y729-F766 PolarHBondContact O-N 2.81Å; Y729-T768 HydrophobicContact CE2-CG2 4.4Å
730F89.1Confident75.9Confident47 Ų4743.8 Ų43.821%0.20623%0.232CC..EExtended strand (participates in β ladder)trans-142.8156.2168.367.9-88.6000113.3W697 Y732 P763 V764W697-F730 HydrophobicContact CB-CD1 3.88Å; W697-F730 HydrophobicContact CB-CD2 3.99Å; W697-F730 HydrophobicContact CB-CE1 3.46Å; W697-F730 VanDerWaalsContact CB-CE1 3.46Å; W697-F730 HydrophobicContact CB-CE2 3.59Å; W697-F730 HydrophobicContact CB-CG 4.14Å; W697-F730 HydrophobicContact CB-CZ 3.31Å; W697-F730 AromaticContact CD1-CE2 3.79Å; W697-F730 HydrophobicContact CD2-CE2 4.25Å; W697-F730 HydrophobicContact CD2-CZ 4.12Å; W697-F730 HydrophobicContact CE3-CZ 4.41Å; W697-F730 HydrophobicContact CG-CD2 4.26Å; W697-F730 HydrophobicContact CG-CE1 4.31Å; W697-F730 AromaticContact CG-CE2 3.62Å; W697-F730 HydrophobicContact CG-CE2 3.62Å; W697-F730 AromaticContact CG-CZ 3.65Å; W697-F730 HydrophobicContact CG-CZ 3.65Å; W697-F730 PolarHBondContact N-O 2.96Å; W697-F730 PolarHBondContact O-N 3.16Å; F730-Y732 HydrophobicContact CD2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CE1 4.31Å; F730-P763 HydrophobicContact CD2-CB 3.86Å; F730-V764 CarbonylContact C-O 3.6Å; F730-V764 WeakPolarHBondContact CA-O 3.33Å
731T88.2Confident74Confident0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans-148.1147.9-173.5-172.30000114.5P653 V655 L694 M695 P763 V764 F766P653-T731 HydrophobicContact CG-CG2 4.15Å; V655-T731 HydrophobicContact CG2-CG2 3.83Å; L694-T731 WeakPolarHBondContact CD1-OG1 3.37Å; M695-T731 CarbonylContact O-C 3.35Å; M695-T731 WeakPolarHBondContact O-CA 3.46Å; M695-T731 VanDerWaalsContact O-CB 3.28Å; M695-T731 WeakPolarHBondContact O-CB 3.4Å; M695-T731 PolarHBondContact O-OG1 3.12Å; T731-P763 CarbonylContact O-C 3.5Å; T731-P763 WeakPolarHBondContact O-CA 3.32Å; T731-V764 PolarHBondContact N-O 3.3Å; T731-V764 PolarHBondContact O-N 2.89Å; T731-F766 HydrophobicContact CG2-CE1 4.34Å
732Y86.3Confident72Confident38 Ų3847.6 Ų47.615%0.14927%0.268CS..EExtended strand (participates in β ladder)trans-160.6171.3-17766.9-94000112.5M695 W697 F730 L760 T761 P763M695-Y732 HydrophobicContact CB-CD1 4.46Å; M695-Y732 HydrophobicContact CB-CD2 4.46Å; M695-Y732 HydrophobicContact CB-CE1 4.2Å; M695-Y732 HydrophobicContact CB-CE2 4.16Å; M695-Y732 HydrophobicContact CG-CE2 4.19Å; M695-Y732 PolarHBondContact N-O 2.95Å; M695-Y732 PolarHBondContact O-N 2.85Å; M695-Y732 VanDerWaalsContact O-N 3.11Å; W697-Y732 AromaticContact CD1-CE1 3.61Å; W697-Y732 AromaticContact CE2-CE1 3.86Å; W697-Y732 HydrophobicContact CZ2-CE1 4.39Å; W697-Y732 VanDerWaalsContact CZ2-OH 3.24Å; W697-Y732 WeakPolarHBondContact CZ2-OH 3.45Å; W697-Y732 AromaticContact NE1-CE1 3.09Å; W697-Y732 AromaticContact NE1-CZ 3.53Å; W697-Y732 PolarHBondContact NE1-OH 2.85Å; F730-Y732 HydrophobicContact CD2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CE1 4.31Å; Y732-L760 HydrophobicContact CE2-CD2 4.25Å; Y732-T761 WeakPolarHBondContact CB-O 3.43Å; Y732-P763 HydrophobicContact CD1-CB 4.28Å
733F84.2Confident70.3Confident7 Ų749.5 Ų49.53%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-96.5137.5173.8-68.9-67.3000114.1I650 Q651 P653 W667 Y692 E693 L694 T761I650-F733 HydrophobicContact CG2-CD2 4.1Å; Q651-F733 WeakPolarHBondContact O-CD2 3.26Å; P653-F733 HydrophobicContact CB-CE2 3.88Å; P653-F733 HydrophobicContact CB-CZ 4.09Å; P653-F733 HydrophobicContact CG-CD2 4.49Å; P653-F733 HydrophobicContact CG-CE2 4.15Å; W667-F733 HydrophobicContact CB-CE2 3.88Å; W667-F733 HydrophobicContact CB-CZ 3.9Å; W667-F733 AromaticContact CD1-CZ 3.88Å; W667-F733 HydrophobicContact CD2-CE1 4.3Å; W667-F733 HydrophobicContact CD2-CE2 4.38Å; W667-F733 AromaticContact CD2-CZ 3.5Å; W667-F733 HydrophobicContact CD2-CZ 3.5Å; W667-F733 VanDerWaalsContact CD2-CZ 3.5Å; W667-F733 AromaticContact CE2-CZ 3.9Å; W667-F733 AromaticContact CE3-CZ 3.86Å; W667-F733 HydrophobicContact CE3-CZ 3.86Å; W667-F733 AromaticContact CG-CE2 3.95Å; W667-F733 HydrophobicContact CG-CE2 3.95Å; W667-F733 AromaticContact CG-CZ 3.5Å; W667-F733 HydrophobicContact CG-CZ 3.5Å; Y692-F733 HydrophobicContact CD1-CE1 4.5Å; Y692-F733 HydrophobicContact CG-CE1 4.44Å; E693-F733 WeakPolarHBondContact O-CA 3.41Å; L694-F733 HydrophobicContact CB-CD1 4.2Å; L694-F733 HydrophobicContact CB-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CD1 4.28Å; L694-F733 HydrophobicContact CD1-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CZ 4.09Å; L694-F733 HydrophobicContact CG-CE1 4.49Å; F733-T761 HydrophobicContact CB-CG2 3.99Å; F733-T761 HydrophobicContact CD2-CG2 4.19Å; F733-T761 PolarHBondContact N-OG1 2.97Å
734N71.1Confident68.6Low59 Ų5949.8 Ų49.832%0.31627%0.268SS..EExtended strand (participates in β ladder)trans-99.2-38.1-171-165.447.5000115.2E693 M695 L760E693-N734 HydrophobicContact CB-CB 4.33Å; E693-N734 HydrophobicContact CG-CB 4.16Å; E693-N734 PolarHBondContact O-N 2.89Å; E693-N734 PolarHBondContact OE1-ND2 3.4Å; M695-N734 HydrophobicContact CG-CB 3.7Å; M695-N734 HydrophobicContact SD-CB 4.48Å; N734-L760 WeakPolarHBondContact O-CD2 3.37Å
735S61.6Low67.1Low43 Ų4353.4 Ų53.430%0.30128%0.284SS..EExtended strand (participates in β ladder)trans-168.6169.7174.461.10000111.2
736C58.3Low65.3Low12 Ų1258.1 Ų58.18%0.08131%0.308CS..EExtended strand (participates in β ladder)trans-138.9135.7178.3-171.90000110.1L647 I650 F690 T691L647-C736 HydrophobicContact CD2-CB 4.24Å; I650-C736 HydrophobicContact CD1-CB 3.49Å; I650-C736 VanDerWaalsContact CD1-CB 3.49Å; F690-C736 VanDerWaalsContact CD1-SG 3.53Å; T691-C736 WeakPolarHBondContact O-CA 3.46Å
737Y58.2Low63.8Low62 Ų6257.7 Ų57.724%0.24330%0.302CS..EExtended strand (participates in β ladder)trans-153.2160.7-175.658.7-102.8000113.2T691 K710T691-Y737 HydrophobicContact CG2-CE2 4.23Å; T691-Y737 PolarHBondContact N-O 3.23Å; K710-Y737 PolarHBondContact NZ-OH 2.98Å
738L54.1Low62.6Low9 Ų959.5 Ų59.55%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-89.1148.7-176.9-64.9167.2000113.3I685 E689 F690 L747I685-L738 HydrophobicContact CD1-CD1 4.3Å; I685-L738 HydrophobicContact CG2-CD2 3.73Å; E689-L738 HydrophobicContact CB-CD2 3.58Å; E689-L738 WeakPolarHBondContact O-CA 3.37Å; F690-L738 HydrophobicContact CD1-CD2 3.82Å; F690-L738 HydrophobicContact CD1-CG 4.34Å; F690-L738 HydrophobicContact CD2-CD2 4.18Å; F690-L738 HydrophobicContact CE1-CD2 3.61Å; F690-L738 HydrophobicContact CE1-CG 4.01Å; F690-L738 HydrophobicContact CE2-CD2 3.97Å; F690-L738 HydrophobicContact CG-CD2 4.12Å; F690-L738 HydrophobicContact CZ-CD2 3.69Å; F690-L738 HydrophobicContact CZ-CG 4.43Å; L738-L747 HydrophobicContact CD1-CD2 3.76Å; L738-L747 HydrophobicContact CD1-CG 4.48Å
739W47.1Very low61Low179 Ų17959.3 Ų59.368%0.67831%0.314SS*.  trans-114.8-27.7-171.5-172.1-111.4000116.1E689E689-W739 PolarHBondContact O-N 3.34Å
740S42.6Very low59.4Low55 Ų5560.5 Ų60.539%0.38532%0.32SS..  trans-164.5167.9-176.1-84.30000109.9A744S740-A744 VanDerWaalsContact C-CB 3.42Å; S740-A744 VanDerWaalsContact O-CB 3.22Å; S740-A744 WeakPolarHBondContact O-CB 3.46Å
741L48.2Very low58Low128 Ų12859.5 Ų59.567%0.6732%0.317SS*.  cis-116.5-132.35.5-158.699.4000113A744 K745L741-A744 PolarHBondContact O-N 3.16Å; L741-K745 PolarHBondContact O-N 2.75Å
742A45.8Very low56.8Low77 Ų7766.1 Ų66.164%0.63635%0.348SS*.THydrogen-bonded Turntrans-64-41.4-172.600000113.8
743T45Very low55.5Low110 Ų11072 Ų7268%0.67538%0.376SS*.THydrogen-bonded Turntrans-68.1-36.9172.4380000112.2K745 L746T743-K745 VanDerWaalsContact C-N 3.27Å; T743-K745 PolarHBondContact O-N 2.75Å; T743-L746 PolarHBondContact O-N 2.93Å
744A50.6Low54.4Low10 Ų1076.3 Ų76.38%0.08339%0.393CS..Hα-helixtrans-70.4-17.9-179.300000113.8S740 L741 L746 L747 K748S740-A744 VanDerWaalsContact C-CB 3.42Å; S740-A744 VanDerWaalsContact O-CB 3.22Å; S740-A744 WeakPolarHBondContact O-CB 3.46Å; L741-A744 PolarHBondContact O-N 3.16Å; A744-L746 VanDerWaalsContact C-N 3.3Å; A744-L746 PolarHBondContact O-N 3Å; A744-L747 PolarHBondContact O-N 2.98Å; A744-K748 VanDerWaalsContact O-CB 3.28Å; A744-K748 WeakPolarHBondContact O-CB 3.33Å; A744-K748 PolarHBondContact O-N 3.02Å
745K50.8Low53.7Low163 Ų16375.9 Ų75.971%0.70940%0.402SS*.Hα-helixtrans-59.9-38.9175.2-78-171.6175.5-176.80112.7L741 T743 A749L741-K745 PolarHBondContact O-N 2.75Å; T743-K745 VanDerWaalsContact C-N 3.27Å; T743-K745 PolarHBondContact O-N 2.75Å; K745-A749 WeakPolarHBondContact O-CB 3.16Å; K745-A749 PolarHBondContact O-N 3.48Å
746L46Very low53.6Low113 Ų11375.7 Ų75.759%0.59240%0.398SS*.Hα-helixtrans-68.6-44.5177.7-154.586.4000110.7T743 A744 A749 L750T743-L746 PolarHBondContact O-N 2.93Å; A744-L746 VanDerWaalsContact C-N 3.3Å; A744-L746 PolarHBondContact O-N 3Å; L746-A749 PolarHBondContact O-N 2.9Å; L746-L750 WeakPolarHBondContact O-CB 3.41Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.18Å
747L53.8Low53.8Low17 Ų1781.4 Ų81.49%0.08942%0.423CS..Hα-helixtrans-64.3-44.6178.3-17362.1000111.5M635 L643 F682 I685 L738 A744 L750 L751M635-L747 HydrophobicContact CE-CD1 3.66Å; M635-L747 HydrophobicContact SD-CD1 4.47Å; L643-L747 HydrophobicContact CD1-CD1 3.92Å; L643-L747 HydrophobicContact CD1-CD2 4.44Å; F682-L747 HydrophobicContact CD1-CD1 4.46Å; F682-L747 HydrophobicContact CE1-CD1 4.24Å; I685-L747 HydrophobicContact CD1-CD2 3.88Å; L738-L747 HydrophobicContact CD1-CD2 3.76Å; L738-L747 HydrophobicContact CD1-CG 4.48Å; A744-L747 PolarHBondContact O-N 2.98Å; L747-L750 PolarHBondContact O-N 2.83Å; L747-L751 HydrophobicContact CG-CD1 4.12Å; L747-L751 WeakPolarHBondContact O-CB 3.33Å; L747-L751 VanDerWaalsContact O-CG 3.23Å; L747-L751 WeakPolarHBondContact O-CG 3.33Å; L747-L751 PolarHBondContact O-N 2.94Å
748K57Low54.1Low61 Ų6179.1 Ų79.127%0.26542%0.419SS..Hα-helixtrans-62.2-44175.8-178.9169.2-178.3162.70112.3A744 L750 L751 E752A744-K748 VanDerWaalsContact O-CB 3.28Å; A744-K748 WeakPolarHBondContact O-CB 3.33Å; A744-K748 PolarHBondContact O-N 3.02Å; K748-L750 VanDerWaalsContact C-N 3.32Å; K748-L750 PolarHBondContact O-N 2.75Å; K748-L751 PolarHBondContact O-N 3.48Å; K748-E752 WeakPolarHBondContact CE-OE1 3.43Å; K748-E752 HydrophobicContact CG-CG 4.44Å; K748-E752 IonicContact NZ-OE1 2.73Å; K748-E752 WeakPolarHBondContact O-CB 3.22Å; K748-E752 WeakPolarHBondContact O-CG 3.36Å; K748-E752 PolarHBondContact O-N 2.85Å
749A54.1Low54.8Low49 Ų4984.4 Ų84.441%0.40545%0.447SS..Hα-helixtrans-60.3-42.6174.600000111.5K745 L746 E752 E753K745-A749 WeakPolarHBondContact O-CB 3.16Å; K745-A749 PolarHBondContact O-N 3.48Å; L746-A749 PolarHBondContact O-N 2.9Å; A749-E752 PolarHBondContact O-N 3.48Å; A749-E753 WeakPolarHBondContact O-CB 3.46Å; A749-E753 PolarHBondContact O-N 3.25Å
750L54.7Low55.9Low32 Ų3281.2 Ų81.217%0.16844%0.442CS..Hα-helixtrans-67-35.6176-74.7165.7000113.3M635 L746 L747 K748 R754M635-L750 HydrophobicContact CE-CD1 3.71Å; M635-L750 HydrophobicContact SD-CD1 4.32Å; L746-L750 WeakPolarHBondContact O-CB 3.41Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.18Å; L747-L750 PolarHBondContact O-N 2.83Å; K748-L750 VanDerWaalsContact C-N 3.32Å; K748-L750 PolarHBondContact O-N 2.75Å; L750-R754 VanDerWaalsContact O-CB 3.23Å; L750-R754 WeakPolarHBondContact O-CB 3.48Å; L750-R754 WeakPolarHBondContact O-CG 3.49Å; L750-R754 PolarHBondContact O-N 2.69Å
751L61.5Low57.8Low26 Ų2679.3 Ų79.314%0.13643%0.429CS..Hα-helixtrans-69.1-40.2174.7-68.8168.2000111.7L643 L747 K748 G755 L756L643-L751 HydrophobicContact CD1-CD2 4.26Å; L643-L751 HydrophobicContact CD2-CD2 3.76Å; L747-L751 HydrophobicContact CG-CD1 4.12Å; L747-L751 WeakPolarHBondContact O-CB 3.33Å; L747-L751 VanDerWaalsContact O-CG 3.23Å; L747-L751 WeakPolarHBondContact O-CG 3.33Å; L747-L751 PolarHBondContact O-N 2.94Å; K748-L751 PolarHBondContact O-N 3.48Å; L751-G755 PolarHBondContact O-N 2.74Å; L751-G755 VanDerWaalsContact O-N 3.08Å; L751-L756 HydrophobicContact CD2-CB 3.71Å; L751-L756 HydrophobicContact CD2-CD1 3.88Å; L751-L756 HydrophobicContact CD2-CG 4.45Å; L751-L756 PolarHBondContact O-N 3.17Å; L751-L756 VanDerWaalsContact O-N 3.09Å
752E63Low59.5Low139 Ų13980.4 Ų80.465%0.6543%0.43SS*.Hα-helixtrans-73.5-39.6177-71.3-179.4-17500112.4K748 A749K748-E752 WeakPolarHBondContact CE-OE1 3.43Å; K748-E752 HydrophobicContact CG-CG 4.44Å; K748-E752 IonicContact NZ-OE1 2.73Å; K748-E752 WeakPolarHBondContact O-CB 3.22Å; K748-E752 WeakPolarHBondContact O-CG 3.36Å; K748-E752 PolarHBondContact O-N 2.85Å; A749-E752 PolarHBondContact O-N 3.48Å
753E58.8Low61.3Low160 Ų16079.8 Ų79.875%0.74842%0.42SS*.Hα-helixtrans-66.5-41.5173.8-84.1-163.7131.800112.9A749A749-E753 WeakPolarHBondContact O-CB 3.46Å; A749-E753 PolarHBondContact O-N 3.25Å
754R60.6Low63.4Low98 Ų9876.7 Ų76.737%0.3740%0.401SS..Hα-helixtrans-92.5-0.1-174.6-59.1-173.3-179.1-177.7-0.5113.7M635 M640 L750 L756M635-R754 PolarHBondContact O-NH1 2.83Å; M635-R754 VanDerWaalsContact O-NH1 3.15Å; M640-R754 HydrophobicContact SD-CB 4.43Å; M640-R754 WeakPolarHBondContact SD-CD 3.29Å; M640-R754 PolarHBondContact SD-NH1 3.32Å; M640-R754 VanDerWaalsContact SD-NH1 3.42Å; L750-R754 VanDerWaalsContact O-CB 3.23Å; L750-R754 WeakPolarHBondContact O-CB 3.48Å; L750-R754 WeakPolarHBondContact O-CG 3.49Å; L750-R754 PolarHBondContact O-N 2.69Å; R754-L756 HydrophobicContact CB-CD1 3.75Å; R754-L756 HydrophobicContact CB-CG 3.95Å
755G57.2Low65.2Low50 Ų5079.4 Ų79.452%0.51542%0.419SS..THydrogen-bonded Turntrans66.338.6173.400000114.3L751 H757L751-G755 PolarHBondContact O-N 2.74Å; L751-G755 VanDerWaalsContact O-N 3.08Å; G755-H757 PolarHBondContact O-CD2 2.69Å
756L58.1Low67.1Low39 Ų3972.8 Ų72.820%0.20439%0.39CS..  trans-93.8116.5-169-63.8163.1000111.5M640 V644 L751 R754M640-L756 HydrophobicContact CE-CD2 4.24Å; M640-L756 HydrophobicContact CG-CD1 3.38Å; M640-L756 HydrophobicContact CG-CD2 3.83Å; M640-L756 HydrophobicContact CG-CG 4.27Å; M640-L756 HydrophobicContact SD-CD1 3.86Å; M640-L756 HydrophobicContact SD-CD2 4.2Å; V644-L756 HydrophobicContact CG2-CB 4.18Å; V644-L756 HydrophobicContact CG2-CD2 3.69Å; L751-L756 HydrophobicContact CD2-CB 3.71Å; L751-L756 HydrophobicContact CD2-CD1 3.88Å; L751-L756 HydrophobicContact CD2-CG 4.45Å; L751-L756 PolarHBondContact O-N 3.17Å; L751-L756 VanDerWaalsContact O-N 3.09Å; R754-L756 HydrophobicContact CB-CD1 3.75Å; R754-L756 HydrophobicContact CB-CG 3.95Å
757H62.5Low69.2Low132 Ų13274.6 Ų74.661%0.61139%0.389SS*.  trans-142.2152.6179.856.971000111.1G755G755-H757 PolarHBondContact O-CD2 2.69Å
758G65Low70.8Confident15 Ų1574 Ų7416%0.15539%0.386CS..  trans-78.6178.9172.100000113.5S648S648-G758 WeakPolarHBondContact OG-CA 3.45Å
759D68.5Low72.2Confident119 Ų11977.2 Ų77.264%0.63640%0.4SS*.PPolyproline II helixtrans-77.7162.4178.3-68-65.9000113.9S648S648-D759 WeakPolarHBondContact CB-OD2 3.27Å; S648-D759 PolarHBondContact OG-N 3.44Å; S648-D759 PolarHBondContact OG-OD2 2.85Å
760L70.5Confident73.8Confident113 Ų11376.8 Ų76.859%0.59240%0.397SS*.PPolyproline II helixtrans-82.9144.1177.1-67.4169.9000111.7Y732 N734Y732-L760 HydrophobicContact CE2-CD2 4.25Å; N734-L760 WeakPolarHBondContact O-CD2 3.37Å
761T82.5Confident75.4Confident15 Ų1576.5 Ų76.59%0.09240%0.396CS..PPolyproline II helixtrans-86.6151.4177.269.60000113I650 Y732 F733I650-T761 HydrophobicContact CB-CG2 4.35Å; I650-T761 HydrophobicContact CG2-CG2 4.05Å; Y732-T761 WeakPolarHBondContact CB-O 3.43Å; F733-T761 HydrophobicContact CB-CG2 3.99Å; F733-T761 HydrophobicContact CD2-CG2 4.19Å; F733-T761 PolarHBondContact N-OG1 2.97Å
762E83.1Confident76.7Confident151 Ų15180.3 Ų80.371%0.70641%0.412SS*.PPolyproline II helixtrans-54.7141.7173.3-72.8-70.5171.900113.7P652P652-E762 VanDerWaalsContact CB-O 3.32Å; P652-E762 WeakPolarHBondContact CB-O 3.31Å
763P84Confident78Confident64 Ų6474 Ų7442%0.41638%0.383SS..PPolyproline II helixtrans-88.1121.4-175.632.7-33.2000114.4F730 T731 Y732F730-P763 HydrophobicContact CD2-CB 3.86Å; T731-P763 CarbonylContact O-C 3.5Å; T731-P763 WeakPolarHBondContact O-CA 3.32Å; Y732-P763 HydrophobicContact CD1-CB 4.28Å
764V88.2Confident79.5Confident45 Ų4570.2 Ų70.227%0.27337%0.365SS..EExtended strand (participates in β ladder)trans-89.2128.5179.2176.30000110.9P652 P653 V655 F730 T731P652-V764 HydrophobicContact CB-CG2 4.36Å; P653-V764 WeakPolarHBondContact O-CB 3.49Å; P653-V764 VanDerWaalsContact O-CG2 3.26Å; P653-V764 WeakPolarHBondContact O-CG2 3.26Å; V655-V764 HydrophobicContact CB-CG1 4.5Å; V655-V764 HydrophobicContact CG2-CG1 4.05Å; F730-V764 CarbonylContact C-O 3.6Å; F730-V764 WeakPolarHBondContact CA-O 3.33Å; T731-V764 PolarHBondContact N-O 3.3Å; T731-V764 PolarHBondContact O-N 2.89Å
765S89.6Confident80.9Confident67 Ų6769.5 Ų69.547%0.46937%0.365SS..EExtended strand (participates in β ladder)trans-107.1144.2-174.2-660000113.6Y729Y729-S765 CarbonylContact O-C 3.53Å; Y729-S765 VanDerWaalsContact O-CA 3.31Å; Y729-S765 WeakPolarHBondContact O-CA 3.39Å
766F90.3Very high82.6Confident23 Ų2367.3 Ų67.310%0.10134%0.341CS..EExtended strand (participates in β ladder)trans-152.4166178.266.2-82.3000113.2V655 V658 A663 L696 L723 Y729 T731V655-F766 HydrophobicContact CB-CD1 4.37Å; V655-F766 HydrophobicContact CG1-CB 4.25Å; V655-F766 HydrophobicContact CG1-CD1 4.03Å; V655-F766 HydrophobicContact CG1-CD2 4.28Å; V655-F766 HydrophobicContact CG1-CE1 4.43Å; V655-F766 HydrophobicContact CG1-CG 3.94Å; V655-F766 HydrophobicContact CG2-CD1 3.94Å; V655-F766 HydrophobicContact CG2-CE1 4.21Å; V658-F766 HydrophobicContact CG1-CD2 4.04Å; V658-F766 HydrophobicContact CG2-CB 4.25Å; V658-F766 HydrophobicContact CG2-CD2 3.95Å; V658-F766 HydrophobicContact CG2-CG 4.45Å; A663-F766 HydrophobicContact CB-CD2 4.03Å; A663-F766 HydrophobicContact CB-CE2 3.41Å; A663-F766 VanDerWaalsContact CB-CE2 3.41Å; A663-F766 HydrophobicContact CB-CZ 3.9Å; L696-F766 HydrophobicContact CD1-CE1 3.94Å; L696-F766 HydrophobicContact CD1-CZ 3.85Å; L723-F766 HydrophobicContact CD1-CE2 3.64Å; L723-F766 HydrophobicContact CD1-CZ 4.17Å; Y729-F766 HydrophobicContact CD2-CE2 4.46Å; Y729-F766 HydrophobicContact CG-CE2 4.49Å; Y729-F766 HydrophobicContact CG-CZ 4.3Å; Y729-F766 PolarHBondContact N-O 2.92Å; Y729-F766 PolarHBondContact O-N 2.81Å; T731-F766 HydrophobicContact CG2-CE1 4.34Å
767R89.6Confident84.1Confident151 Ų15173.7 Ų73.757%0.5736%0.364SS*.EExtended strand (participates in β ladder)trans-134.7133.1-177.6173.1178.7-88-132.9-7.1112.4V658 T727 D728V658-R767 WeakPolarHBondContact CG1-O 3.36Å; T727-R767 WeakPolarHBondContact O-CA 3.39Å; D728-R767 WeakPolarHBondContact OD1-CB 3.47Å; D728-R767 IonicContact OD1-CZ 3.69Å; D728-R767 IonicContact OD1-NE 2.71Å; D728-R767 PolarHBondContact OD1-NE 2.96Å; D728-R767 IonicContact OD1-NH2 3.12Å; D728-R767 PolarHBondContact OD1-NH2 3Å; D728-R767 IonicContact OD2-CZ 3.14Å; D728-R767 IonicContact OD2-NE 2.77Å; D728-R767 IonicContact OD2-NH2 2.64Å; D728-R767 PolarHBondContact OD2-NH2 3.41Å
768T87.9Confident85.4Confident6 Ų669.8 Ų69.84%0.03735%0.35CS..PPolyproline II helixtrans-78.2160.917655.10000114V658 L723 K724 P725 A726 T727 Y729V658-T768 HydrophobicContact CG1-CG2 4.21Å; L723-T768 HydrophobicContact CB-CG2 3.8Å; L723-T768 HydrophobicContact CD1-CG2 3.73Å; L723-T768 HydrophobicContact CG-CG2 4.45Å; K724-T768 WeakPolarHBondContact O-CB 3.26Å; K724-T768 PolarHBondContact O-OG1 3.42Å; P725-T768 VanDerWaalsContact C-OG1 3.31Å; A726-T768 WeakPolarHBondContact CA-O 3.35Å; A726-T768 PolarHBondContact N-OG1 3.07Å; T727-T768 PolarHBondContact N-OG1 3.42Å; T727-T768 PolarHBondContact O-N 2.86Å; T727-T768 VanDerWaalsContact O-N 3.12Å; T727-T768 PolarHBondContact O-OG1 3.23Å; Y729-T768 HydrophobicContact CE2-CG2 4.4Å
769K87.5Confident86.6Confident128 Ų12869.3 Ų69.356%0.55734%0.344SS*.PPolyproline II helixtrans-78.7155.5179.4-69.5159-178.8153.60112.5V658 G659 I660 P725 A726V658-K769 WeakPolarHBondContact O-CE 3.38Å; V658-K769 PolarHBondContact O-NZ 3.27Å; G659-K769 PolarHBondContact O-N 2.61Å; I660-K769 HydrophobicContact CG1-CB 4.01Å; P725-K769 WeakPolarHBondContact CA-O 3.31Å; A726-K769 PolarHBondContact N-O 2.83Å
770A86.6Confident87.6Confident40 Ų4072.9 Ų72.933%0.33135%0.349SS..PPolyproline II helixtrans-79.8164172.700000111.9A726 N799A726-A770 HydrophobicContact CB-CB 4.27Å; A770-N799 VanDerWaalsContact CA-O 3.27Å; A770-N799 WeakPolarHBondContact CA-O 3.17Å; A770-N799 WeakPolarHBondContact CB-O 3.38Å
771T89.2Confident88.5Confident25 Ų2569.6 Ų69.615%0.15333%0.333CS..  trans-151.7-174.6-179.8-169.10000113.1I660 P725 N799 N849I660-T771 HydrophobicContact CG2-CG2 3.86Å; P725-T771 HydrophobicContact CB-CG2 4.09Å; P725-T771 HydrophobicContact CG-CG2 3.93Å; T771-N799 HydrophobicContact CG2-CB 3.69Å; T771-N799 PolarHBondContact N-O 3.49Å; T771-N849 PolarHBondContact O-ND2 3.09Å
772F89.1Confident88.6Confident107 Ų10772.7 Ų72.747%0.46935%0.349SS..SBendtrans-54153.6174.1-51.2-86000111.8N799 C851F772-N799 WeakPolarHBondContact O-CB 3.43Å; F772-N799 PolarHBondContact O-ND2 2.95Å; F772-C851 HydrophobicContact CD1-CB 4.29Å; F772-C851 WeakPolarHBondContact CE1-O 3.15Å
773P90.2Very high88.6Confident6 Ų669.5 Ų69.54%0.03933%0.334CS..PPolyproline II helixtrans-63.5154.6175.9-14.330.1000110.7P796 N797 I803 A847 N849 S854P773-P796 HydrophobicContact CB-CG 4.37Å; P773-N797 WeakPolarHBondContact CA-O 3.33Å; P773-I803 HydrophobicContact CB-CG1 4.48Å; P773-I803 HydrophobicContact CG-CG1 4.45Å; P773-A847 HydrophobicContact CB-CB 4.06Å; P773-A847 HydrophobicContact CG-CB 4.28Å; P773-N849 HydrophobicContact CG-CB 3.85Å; P773-S854 WeakPolarHBondContact O-CB 3.45Å
774E88.9Confident88.7Confident80 Ų8069.7 Ų69.737%0.37433%0.326SS..PPolyproline II helixtrans-66.3153171.7-63.5-171.9145.700111.1R661 P776 P796 N797 N799R661-E774 IonicContact NH2-OE1 3.4Å; E774-P776 VanDerWaalsContact O-N 3.17Å; E774-P796 HydrophobicContact CB-CB 4.41Å; E774-P796 WeakPolarHBondContact O-CB 3.36Å; E774-P796 WeakPolarHBondContact O-CG 3.36Å; E774-N797 HydrophobicContact CB-CB 4.29Å; E774-N797 HydrophobicContact CG-CB 3.93Å; E774-N797 PolarHBondContact N-O 3.22Å; E774-N797 WeakPolarHBondContact OE2-CB 3.42Å; E774-N797 PolarHBondContact OE2-ND2 2.99Å; E774-N799 VanDerWaalsContact CG-ND2 3.34Å; E774-N799 WeakPolarHBondContact CG-ND2 3.48Å
775K91Very high88.3Confident84 Ų8471.3 Ų71.337%0.36533%0.332SS..PPolyproline II helixtrans-51.3119.5174173.1168.9172.6162.70109.1D855 Y856 S857 E858K775-D855 HydrophobicContact CB-CB 4.44Å; K775-D855 HydrophobicContact CD-CB 4.49Å; K775-Y856 VanDerWaalsContact CD-O 3.28Å; K775-Y856 WeakPolarHBondContact CD-O 3.43Å; K775-Y856 WeakPolarHBondContact CE-O 3.35Å; K775-Y856 WeakPolarHBondContact CG-O 3.33Å; K775-Y856 PolarHBondContact NZ-O 2.84Å; K775-S857 VanDerWaalsContact CE-C 3.49Å; K775-E858 VanDerWaalsContact CE-OE1 3.24Å; K775-E858 WeakPolarHBondContact CE-OE1 3.31Å; K775-E858 IonicContact NZ-OE1 3.39Å; K775-E858 PolarHBondContact NZ-OE1 2.89Å; K775-E858 IonicContact NZ-OE2 3.55Å; K775-E858 PolarHBondContact NZ-OE2 2.76Å
776P92.3Very high87.9Confident3 Ų374 Ų742%0.01934%0.335CS..PPolyproline II helixtrans-70.1149.6-179.530.3-35.5000110.7E774 P796 L845 S854 D855 S857E774-P776 VanDerWaalsContact O-N 3.17Å; P776-P796 HydrophobicContact CB-CB 4.36Å; P776-P796 HydrophobicContact CB-CG 4.04Å; P776-L845 HydrophobicContact CB-CD2 3.97Å; P776-L845 HydrophobicContact CB-CG 4.38Å; P776-L845 HydrophobicContact CG-CB 4.33Å; P776-L845 HydrophobicContact CG-CD2 4.14Å; P776-L845 HydrophobicContact CG-CG 4.01Å; P776-L845 WeakPolarHBondContact CG-O 3.47Å; P776-S854 WeakPolarHBondContact CD-OG 3.25Å; P776-D855 WeakPolarHBondContact CD-O 3.2Å; P776-S857 WeakPolarHBondContact O-CA 3.49Å; P776-S857 WeakPolarHBondContact O-CB 3.19Å
777Y89.8Confident87.6Confident174 Ų17476.6 Ų76.668%0.68235%0.353SS*.PPolyproline II helixtrans-59147.7168.1-63.4-78.3000110.6
778P88.8Confident87.5Confident50 Ų5069.7 Ų69.733%0.32533%0.328SS..PPolyproline II helixtrans-52141.3176-27.335.5000112E858 C860P778-E858 HydrophobicContact CG-CB 3.92Å; P778-C860 HydrophobicContact CB-CB 4.34Å
779P91.4Very high87.7Confident4 Ų469.4 Ų69.43%0.02633%0.326CS..PPolyproline II helixtrans-63.2142.7176.528.3-34000109.8L791 W793 L808 F843 L845 C860P779-L791 HydrophobicContact CB-CB 4.28Å; P779-L791 HydrophobicContact CB-CD2 4.23Å; P779-L791 HydrophobicContact CG-CD2 4.47Å; P779-W793 HydrophobicContact CB-CE3 3.87Å; P779-L808 HydrophobicContact CG-CD1 4Å; P779-F843 HydrophobicContact CG-CB 4.4Å; P779-L845 HydrophobicContact CG-CB 4.42Å; P779-C860 HydrophobicContact CG-CB 3.66Å; P779-C860 WeakPolarHBondContact O-CB 3.49Å; P779-C860 PolarHBondContact O-SG 3.33Å
780R88.2Confident87.9Confident194 Ų19464.9 Ų64.973%0.73231%0.308SS*.EExtended strand (participates in β ladder)trans-99.9134.3176.9-62.7-173.7-179.4-166.9-0.8109.9I782 L791 R792R780-I782 PolarHBondContact O-N 3.18Å; R780-L791 CarbonylContact O-C 3.48Å; R780-L791 WeakPolarHBondContact O-CA 3.32Å; R780-R792 PolarHBondContact N-O 3.25Å; R780-R792 PolarHBondContact O-N 2.97Å
781V89.3Confident88.3Confident44 Ų4463 Ų6327%0.26729%0.292SS..EExtended strand (participates in β ladder)trans-67.5130.1168.5-173.50000108.9R784 L789 L790 L791 A862V781-R784 HydrophobicContact CG1-CG 3.84Å; V781-L789 HydrophobicContact CG1-CD2 4.2Å; V781-L790 CarbonylContact C-O 3.6Å; V781-L790 WeakPolarHBondContact CA-O 3.5Å; V781-L791 HydrophobicContact CG2-CD2 3.81Å; V781-A862 HydrophobicContact CG2-CB 3.48Å; V781-A862 VanDerWaalsContact CG2-CB 3.48Å
782I86.6Confident88.5Confident80 Ų8068.3 Ų68.341%0.4131%0.309SS..EExtended strand (participates in β ladder)trans-101.2-37170.6-69.6-172.4000111.1R780 L790 R792R780-I782 PolarHBondContact O-N 3.18Å; I782-L790 HydrophobicContact CB-CD2 4.04Å; I782-L790 HydrophobicContact CB-CG 4.18Å; I782-L790 HydrophobicContact CG2-CD2 3.87Å; I782-L790 PolarHBondContact N-O 3Å; I782-R792 HydrophobicContact CD1-CB 3.39Å; I782-R792 HydrophobicContact CD1-CG 4.06Å; I782-R792 HydrophobicContact CG1-CB 3.95Å
783Q82.4Confident88.7Confident84 Ų8463.9 Ų63.939%0.39329%0.29SS..EExtended strand (participates in β ladder)trans-146.3121.8-173.4-168.9175.45500109.6M785 L790Q783-M785 VanDerWaalsContact CD-CE 3.42Å; Q783-M785 HydrophobicContact CG-CE 3.82Å; Q783-M785 HydrophobicContact CG-CG 4.43Å; Q783-L790 HydrophobicContact CB-CB 3.85Å; Q783-L790 HydrophobicContact CB-CD2 4.14Å; Q783-L790 PolarHBondContact O-N 3.18Å
784R86.1Confident88.8Confident69 Ų6967.4 Ų67.426%0.2631%0.314SS..EExtended strand (participates in β ladder)trans-90.2144.2165.9-55.6-175.9-171.8-166.37.9109.1V781 L789 E941V781-R784 HydrophobicContact CG1-CG 3.84Å; R784-L789 HydrophobicContact CB-CD2 4.29Å; R784-L789 HydrophobicContact CG-CD2 4Å; R784-E941 VanDerWaalsContact CZ-CD 3.44Å; R784-E941 IonicContact CZ-OE1 2.73Å; R784-E941 IonicContact CZ-OE2 2.74Å; R784-E941 IonicContact NH1-OE1 2.66Å; R784-E941 IonicContact NH1-OE2 2.7Å; R784-E941 PolarHBondContact NH1-OE2 3.44Å; R784-E941 IonicContact NH2-OE1 3.52Å; R784-E941 PolarHBondContact NH2-OE1 2.81Å; R784-E941 IonicContact NH2-OE2 3.43Å; R784-E941 PolarHBondContact NH2-OE2 2.78Å
785M80.5Confident88.9Confident79 Ų7965.6 Ų65.639%0.38931%0.313SS..EExtended strand (participates in β ladder)trans-145.2158.6171.5-67.2-86.9161.800107.9Q783 T787 S788 S865Q783-M785 VanDerWaalsContact CD-CE 3.42Å; Q783-M785 HydrophobicContact CG-CE 3.82Å; Q783-M785 HydrophobicContact CG-CG 4.43Å; M785-T787 PolarHBondContact O-N 2.71Å; M785-S788 WeakPolarHBondContact CB-O 3.48Å; M785-S788 WeakPolarHBondContact CB-OG 3.43Å; M785-S788 PolarHBondContact N-O 3.41Å; M785-S788 PolarHBondContact O-N 2.84Å; M785-S865 PolarHBondContact O-N 2.88Å
786K79.3Confident88.8Confident122 Ų12262.2 Ų62.253%0.5330%0.299SS..THydrogen-bonded Turntrans-57.7-18.8-173.7-61.9-166.2174.4-167.40115.7M837 S865 G866K786-M837 WeakPolarHBondContact O-CA 3.34Å; K786-M837 WeakPolarHBondContact O-CB 3.37Å; K786-S865 WeakPolarHBondContact CA-O 3.12Å; K786-G866 WeakPolarHBondContact CE-O 3.5Å
787T84Confident88.6Confident78 Ų7865.7 Ų65.748%0.47932%0.318SS..THydrogen-bonded Turntrans-142.517.3178.759.70000113.6M785 Q833 K834 L835M785-T787 PolarHBondContact O-N 2.71Å; T787-Q833 CarbonylContact O-C 3.58Å; T787-K834 PolarHBondContact O-N 3.06Å; T787-L835 VanDerWaalsContact CA-O 3.3Å; T787-L835 WeakPolarHBondContact CA-O 3.37Å; T787-L835 WeakPolarHBondContact CB-O 3.38Å; T787-L835 PolarHBondContact O-N 2.94Å
788S89.2Confident88.5Confident6 Ų660.2 Ų60.24%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-158.1148.1179.371.10000114.3M785 K831 I832M785-S788 WeakPolarHBondContact CB-O 3.48Å; M785-S788 WeakPolarHBondContact CB-OG 3.43Å; M785-S788 PolarHBondContact N-O 3.41Å; M785-S788 PolarHBondContact O-N 2.84Å; S788-K831 WeakPolarHBondContact OG-CE 3.49Å; S788-I832 CarbonylContact C-O 3.55Å; S788-I832 WeakPolarHBondContact CA-O 3.26Å; S788-I832 WeakPolarHBondContact CB-O 3.35Å
789L90.4Very high88.3Confident0 Ų058.3 Ų58.30%029%0.288CS..EExtended strand (participates in β ladder)trans-119.3135.5174.1-69.8173000110.7V781 R784 K831 I832 L835 F843 A862V781-L789 HydrophobicContact CG1-CD2 4.2Å; R784-L789 HydrophobicContact CB-CD2 4.29Å; R784-L789 HydrophobicContact CG-CD2 4Å; L789-K831 CarbonylContact O-C 3.57Å; L789-K831 WeakPolarHBondContact O-CA 3.28Å; L789-I832 PolarHBondContact N-O 3.22Å; L789-I832 PolarHBondContact O-N 3.21Å; L789-L835 HydrophobicContact CB-CD1 4.11Å; L789-L835 HydrophobicContact CD1-CD1 3.82Å; L789-L835 HydrophobicContact CG-CD1 3.79Å; L789-F843 HydrophobicContact CD1-CE2 3.58Å; L789-F843 HydrophobicContact CD1-CZ 3.86Å; L789-A862 HydrophobicContact CD1-CB 3.9Å; L789-A862 WeakPolarHBondContact CD1-O 3.37Å
790L93.2Very high87.7Confident34 Ų3460.3 Ų60.318%0.17831%0.309CS..EExtended strand (participates in β ladder)trans-101.3115.8169.2-179.864.4000109.4V781 I782 Q783 K831V781-L790 CarbonylContact C-O 3.6Å; V781-L790 WeakPolarHBondContact CA-O 3.5Å; I782-L790 HydrophobicContact CB-CD2 4.04Å; I782-L790 HydrophobicContact CB-CG 4.18Å; I782-L790 HydrophobicContact CG2-CD2 3.87Å; I782-L790 PolarHBondContact N-O 3Å; Q783-L790 HydrophobicContact CB-CB 3.85Å; Q783-L790 HydrophobicContact CB-CD2 4.14Å; Q783-L790 PolarHBondContact O-N 3.18Å; L790-K831 HydrophobicContact CD1-CB 4.06Å
791L93.4Very high87.6Confident0 Ų051.5 Ų51.50%028%0.277CS..EExtended strand (participates in β ladder)trans-109.2138.2-178.4-69.4163.3000110.1P779 R780 V781 W793 L808 Q829 A830 I832 F843P779-L791 HydrophobicContact CB-CB 4.28Å; P779-L791 HydrophobicContact CB-CD2 4.23Å; P779-L791 HydrophobicContact CG-CD2 4.47Å; R780-L791 CarbonylContact O-C 3.48Å; R780-L791 WeakPolarHBondContact O-CA 3.32Å; V781-L791 HydrophobicContact CG2-CD2 3.81Å; L791-W793 HydrophobicContact CB-CZ3 4.1Å; L791-L808 HydrophobicContact CD1-CD1 4.47Å; L791-L808 HydrophobicContact CD1-CD2 3.86Å; L791-Q829 CarbonylContact O-C 3.35Å; L791-Q829 WeakPolarHBondContact O-CA 3.46Å; L791-Q829 VanDerWaalsContact O-CB 3.29Å; L791-Q829 WeakPolarHBondContact O-CB 3.08Å; L791-A830 PolarHBondContact N-O 2.81Å; L791-A830 PolarHBondContact O-N 3.16Å; L791-I832 HydrophobicContact CD1-CG1 4.18Å; L791-F843 HydrophobicContact CD1-CB 4.39Å; L791-F843 HydrophobicContact CD1-CD1 3.75Å; L791-F843 HydrophobicContact CD1-CD2 3.99Å; L791-F843 HydrophobicContact CD1-CE1 3.97Å; L791-F843 HydrophobicContact CD1-CE2 4.2Å; L791-F843 HydrophobicContact CD1-CG 3.76Å; L791-F843 HydrophobicContact CD1-CZ 4.19Å
792R94.2Very high87.5Confident137 Ų13757.4 Ų57.452%0.51730%0.299SS..EExtended strand (participates in β ladder)trans-134.8144.8174.3-176-178.273.5-161.5-1.2111.2R780 I782 R828 Q829R780-R792 PolarHBondContact N-O 3.25Å; R780-R792 PolarHBondContact O-N 2.97Å; I782-R792 HydrophobicContact CD1-CB 3.39Å; I782-R792 HydrophobicContact CD1-CG 4.06Å; I782-R792 HydrophobicContact CG1-CB 3.95Å; R792-R828 WeakPolarHBondContact CA-O 3.41Å; R792-R828 VanDerWaalsContact CG-O 3.3Å; R792-R828 WeakPolarHBondContact CG-O 3.16Å; R792-Q829 HydrophobicContact CB-CB 4.07Å; R792-Q829 HydrophobicContact CG-CB 4.19Å
793W94.1Very high87.7Confident14 Ų1454.9 Ų54.95%0.05329%0.286CS..  trans-135.2162.4-179.347.594.4000112.7P779 L791 Y806 L808 Y823 L827 R828 A830 L845P779-W793 HydrophobicContact CB-CE3 3.87Å; L791-W793 HydrophobicContact CB-CZ3 4.1Å; W793-Y806 AromaticContact CD1-CD1 3.58Å; W793-Y806 AromaticContact CD1-CE1 3.76Å; W793-Y806 HydrophobicContact CZ2-CG 4.4Å; W793-Y806 AromaticContact NE1-CD1 3.19Å; W793-Y806 AromaticContact NE1-CD2 3.61Å; W793-Y806 AromaticContact NE1-CE1 3.71Å; W793-Y806 AromaticContact NE1-CG 3.13Å; W793-L808 HydrophobicContact CH2-CD2 4.14Å; W793-L808 HydrophobicContact CZ3-CD2 3.98Å; W793-Y823 AromaticContact CH2-CD1 3.87Å; W793-Y823 HydrophobicContact CH2-CD1 3.87Å; W793-Y823 AromaticContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CZ2-CD1 4.02Å; W793-Y823 AromaticContact CZ2-CE1 3.67Å; W793-Y823 HydrophobicContact CZ2-CE1 3.67Å; W793-L827 WeakPolarHBondContact CZ2-O 3.49Å; W793-R828 VanDerWaalsContact CE2-C 3.49Å; W793-R828 PolarHBondContact N-O 3.23Å; W793-A830 HydrophobicContact CH2-CB 3.78Å; W793-A830 HydrophobicContact CZ3-CB 4.23Å; W793-L845 HydrophobicContact CB-CD2 3.41Å; W793-L845 VanDerWaalsContact CB-CD2 3.41Å; W793-L845 HydrophobicContact CD2-CD1 3.89Å; W793-L845 HydrophobicContact CD2-CD2 3.77Å; W793-L845 HydrophobicContact CE3-CD1 4.3Å; W793-L845 HydrophobicContact CE3-CD2 4.4Å; W793-L845 HydrophobicContact CG-CD1 4.25Å; W793-L845 HydrophobicContact CG-CD2 3.31Å; W793-L845 HydrophobicContact CG-CG 4.43Å; W793-L845 HydrophobicContact CH2-CD1 4.47Å; W793-L845 HydrophobicContact CZ2-CD1 4.09Å
794S91.7Very high88.2Confident79 Ų7956.3 Ų56.355%0.55229%0.294SS*.PPolyproline II helixtrans-81.3159.3168.4-65.60000110.5
795A90.4Very high88.5Confident42 Ų4253.9 Ų53.935%0.34729%0.289SS..PPolyproline II helixtrans-73.9130.9163.400000108.7I803 Y806A795-I803 HydrophobicContact CB-CD1 4.43Å; A795-Y806 VanDerWaalsContact CB-OH 3.32Å; A795-Y806 WeakPolarHBondContact CB-OH 3.36Å
796P90Very high89.3Confident13 Ų1350.8 Ų50.88%0.08427%0.273CS..PPolyproline II helixtrans-68.3171.316329.5-32.3000110.5P773 E774 P776 D798 I803 A847P773-P796 HydrophobicContact CB-CG 4.37Å; E774-P796 HydrophobicContact CB-CB 4.41Å; E774-P796 WeakPolarHBondContact O-CB 3.36Å; E774-P796 WeakPolarHBondContact O-CG 3.36Å; P776-P796 HydrophobicContact CB-CB 4.36Å; P776-P796 HydrophobicContact CB-CG 4.04Å; P796-D798 PolarHBondContact O-N 3.14Å; P796-I803 HydrophobicContact CG-CD1 3.76Å; P796-A847 HydrophobicContact CG-CB 3.55Å
797N86.7Confident90Very high76 Ų7646 Ų4641%0.40625%0.253SS..PPolyproline II helixtrans-59.3132.8166.6-179.87.6000110.1P773 E774 N799P773-N797 WeakPolarHBondContact CA-O 3.33Å; E774-N797 HydrophobicContact CB-CB 4.29Å; E774-N797 HydrophobicContact CG-CB 3.93Å; E774-N797 PolarHBondContact N-O 3.22Å; E774-N797 WeakPolarHBondContact OE2-CB 3.42Å; E774-N797 PolarHBondContact OE2-ND2 2.99Å; N797-N799 VanDerWaalsContact C-N 3.33Å; N797-N799 PolarHBondContact ND2-OD1 2.84Å; N797-N799 VanDerWaalsContact ND2-OD1 3.08Å; N797-N799 PolarHBondContact OD1-N 2.94Å; N797-N799 VanDerWaalsContact OD1-N 3.16Å
798D89.1Confident90.5Very high60 Ų6042.3 Ų42.332%0.32123%0.23SC..  trans-86.4-5.8-175.285.7-4.6000113.5P796 G800 S801 K802 I803 N849P796-D798 PolarHBondContact O-N 3.14Å; D798-G800 PolarHBondContact O-N 2.83Å; D798-G800 VanDerWaalsContact O-N 3.13Å; D798-G800 PolarHBondContact OD1-N 3.43Å; D798-S801 WeakPolarHBondContact CB-O 3.34Å; D798-S801 PolarHBondContact O-N 2.92Å; D798-S801 VanDerWaalsContact O-N 3.14Å; D798-K802 WeakPolarHBondContact OD2-CA 3.46Å; D798-I803 HydrophobicContact CB-CD1 4.38Å; D798-I803 HydrophobicContact CB-CG1 3.95Å; D798-N849 PolarHBondContact O-ND2 2.82Å
799N85Confident90.8Very high10 Ų1043 Ų435%0.05323%0.233CC..THydrogen-bonded Turntrans50.632179.6-75.7-33.9000114.4P725 A770 T771 F772 E774 N797P725-N799 HydrophobicContact CB-CB 4.25Å; P725-N799 HydrophobicContact CG-CB 4.48Å; A770-N799 VanDerWaalsContact CA-O 3.27Å; A770-N799 WeakPolarHBondContact CA-O 3.17Å; A770-N799 WeakPolarHBondContact CB-O 3.38Å; T771-N799 HydrophobicContact CG2-CB 3.69Å; T771-N799 PolarHBondContact N-O 3.49Å; F772-N799 WeakPolarHBondContact O-CB 3.43Å; F772-N799 PolarHBondContact O-ND2 2.95Å; E774-N799 VanDerWaalsContact CG-ND2 3.34Å; E774-N799 WeakPolarHBondContact CG-ND2 3.48Å; N797-N799 VanDerWaalsContact C-N 3.33Å; N797-N799 PolarHBondContact ND2-OD1 2.84Å; N797-N799 VanDerWaalsContact ND2-OD1 3.08Å; N797-N799 PolarHBondContact OD1-N 2.94Å; N797-N799 VanDerWaalsContact OD1-N 3.16Å
800G77.6Confident90.9Very high46 Ų4644.3 Ų44.347%0.47424%0.239SC..THydrogen-bonded Turntrans91.55.5175.600000115.2D798D798-G800 PolarHBondContact O-N 2.83Å; D798-G800 VanDerWaalsContact O-N 3.13Å; D798-G800 PolarHBondContact OD1-N 3.43Å
801S87.1Confident90.8Very high8 Ų843.8 Ų43.86%0.05624%0.236CC..SBendtrans-134.7124.1168.2179.60000110.5D798 I803 N849 Q850D798-S801 WeakPolarHBondContact CB-O 3.34Å; D798-S801 PolarHBondContact O-N 2.92Å; D798-S801 VanDerWaalsContact O-N 3.14Å; S801-I803 PolarHBondContact O-N 2.85Å; S801-N849 WeakPolarHBondContact O-CB 3.46Å; S801-N849 PolarHBondContact O-ND2 2.92Å; S801-N849 VanDerWaalsContact O-ND2 3.1Å; S801-Q850 VanDerWaalsContact OG-CB 3.32Å; S801-Q850 WeakPolarHBondContact OG-CB 3.18Å; S801-Q850 WeakPolarHBondContact OG-CG 3.37Å; S801-Q850 PolarHBondContact OG-N 2.9Å; S801-Q850 PolarHBondContact OG-OE1 3.39Å; S801-Q850 VanDerWaalsContact OG-OE1 3.13Å
802K87.4Confident90.4Very high168 Ų16847 Ų4773%0.7325%0.251SS*.  trans-55.9130.8-172.6-177.9179.2177.5-179.30112.6D798 M804 N849D798-K802 WeakPolarHBondContact OD2-CA 3.46Å; K802-M804 PolarHBondContact O-N 2.83Å; K802-N849 WeakPolarHBondContact O-CB 3.22Å
803I90.7Very high89.3Confident27 Ų2746.8 Ų46.814%0.13826%0.256CS..  trans-60.6124.1172.3-57.5172.2000109.9P773 A795 P796 D798 S801 Y806 A847 K848P773-I803 HydrophobicContact CB-CG1 4.48Å; P773-I803 HydrophobicContact CG-CG1 4.45Å; A795-I803 HydrophobicContact CB-CD1 4.43Å; P796-I803 HydrophobicContact CG-CD1 3.76Å; D798-I803 HydrophobicContact CB-CD1 4.38Å; D798-I803 HydrophobicContact CB-CG1 3.95Å; S801-I803 PolarHBondContact O-N 2.85Å; I803-Y806 HydrophobicContact CG2-CE1 4.18Å; I803-Y806 HydrophobicContact CG2-CE2 4.23Å; I803-A847 HydrophobicContact CD1-CB 4.24Å; I803-A847 HydrophobicContact CG2-CB 4.24Å; I803-K848 CarbonylContact C-O 3.52Å
804M92Very high88.2Confident115 Ų11555.5 Ų55.557%0.56730%0.297SS*.  trans-95.7-37.1-178.3-60.4174.566.400112.1K802 K848 Q850K802-M804 PolarHBondContact O-N 2.83Å; M804-K848 PolarHBondContact N-O 2.99Å; M804-Q850 HydrophobicContact SD-CB 4.47Å; M804-Q850 HydrophobicContact SD-CG 3.67Å
805A93.3Very high87.3Confident18 Ų1858.7 Ų58.715%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-152.8157.4-179.700000111.9K848A805-K848 PolarHBondContact N-O 2.78Å; A805-K848 PolarHBondContact O-N 3.11Å
806Y95.7Very high86.5Confident14 Ų1464.5 Ų64.56%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-109.3138.8164.3-58.2-88.7000108.6W793 A795 I803 S824 G825 L827 R828 A846 A847W793-Y806 AromaticContact CD1-CD1 3.58Å; W793-Y806 AromaticContact CD1-CE1 3.76Å; W793-Y806 HydrophobicContact CZ2-CG 4.4Å; W793-Y806 AromaticContact NE1-CD1 3.19Å; W793-Y806 AromaticContact NE1-CD2 3.61Å; W793-Y806 AromaticContact NE1-CE1 3.71Å; W793-Y806 AromaticContact NE1-CG 3.13Å; A795-Y806 VanDerWaalsContact CB-OH 3.32Å; A795-Y806 WeakPolarHBondContact CB-OH 3.36Å; I803-Y806 HydrophobicContact CG2-CE1 4.18Å; I803-Y806 HydrophobicContact CG2-CE2 4.23Å; Y806-S824 WeakPolarHBondContact O-CA 3.44Å; Y806-G825 PolarHBondContact N-O 2.92Å; Y806-G825 PolarHBondContact O-N 3.43Å; Y806-L827 WeakPolarHBondContact CD2-O 3.28Å; Y806-R828 HydrophobicContact CD2-CG 4.49Å; Y806-R828 HydrophobicContact CE2-CG 3.7Å; Y806-A846 CarbonylContact C-O 3.59Å; Y806-A846 WeakPolarHBondContact CA-O 3.21Å; Y806-A847 HydrophobicContact CD1-CB 4.17Å; Y806-A847 HydrophobicContact CE1-CB 4.28Å
807L94.9Very high85.8Confident21 Ų2166.4 Ų66.411%0.1134%0.343CS..EExtended strand (participates in β ladder)trans-113.6112.4179.3-47.9177.5000107.3S824 L845 A846L807-S824 WeakPolarHBondContact CD2-OG 3.32Å; L807-L845 CarbonylContact O-C 3.55Å; L807-L845 WeakPolarHBondContact O-CA 3.44Å; L807-A846 HydrophobicContact CB-CB 4.44Å; L807-A846 PolarHBondContact N-O 2.93Å; L807-A846 PolarHBondContact O-N 2.86Å
808L95Very high85.9Confident0 Ų063.9 Ų63.90%033%0.333CS..EExtended strand (participates in β ladder)trans-108.2121.3177.6178.369.9000108.4P779 L791 W793 V822 Y823 A830 I832 F843 L845P779-L808 HydrophobicContact CG-CD1 4Å; L791-L808 HydrophobicContact CD1-CD1 4.47Å; L791-L808 HydrophobicContact CD1-CD2 3.86Å; W793-L808 HydrophobicContact CH2-CD2 4.14Å; W793-L808 HydrophobicContact CZ3-CD2 3.98Å; L808-V822 HydrophobicContact CD2-CG2 4.21Å; L808-V822 HydrophobicContact CG-CG2 3.99Å; L808-V822 WeakPolarHBondContact O-CG2 3.39Å; L808-V822 PolarHBondContact O-N 3.42Å; L808-Y823 HydrophobicContact CB-CD1 4.2Å; L808-Y823 PolarHBondContact N-O 3.44Å; L808-Y823 PolarHBondContact O-N 3.42Å; L808-Y823 VanDerWaalsContact O-N 3.16Å; L808-A830 HydrophobicContact CD2-CB 4.08Å; L808-I832 HydrophobicContact CD2-CD1 4.03Å; L808-I832 HydrophobicContact CD2-CG1 4.37Å; L808-F843 HydrophobicContact CD1-CB 4.21Å; L808-L845 HydrophobicContact CB-CD1 4.19Å; L808-L845 HydrophobicContact CD1-CB 4.38Å; L808-L845 HydrophobicContact CD1-CD1 4.26Å
809E94.6Very high85.9Confident20 Ų2063 Ų639%0.09333%0.326CS..EExtended strand (participates in β ladder)trans-113.3150.4178.7-62.9173-174.200110.8F819 K820 E821 F843 R844 Y856E809-F819 HydrophobicContact CB-CB 4.12Å; E809-F819 HydrophobicContact CB-CD1 4.4Å; E809-K820 CarbonylContact C-O 3.46Å; E809-K820 WeakPolarHBondContact CA-O 3.23Å; E809-E821 HydrophobicContact CG-CB 4.45Å; E809-F843 CarbonylContact O-C 3.33Å; E809-F843 VanDerWaalsContact O-CA 3.26Å; E809-F843 WeakPolarHBondContact O-CA 3.31Å; E809-R844 HydrophobicContact CB-CG 4.01Å; E809-R844 PolarHBondContact N-O 3.44Å; E809-R844 PolarHBondContact O-N 2.84Å; E809-R844 IonicContact OE2-CZ 3.85Å; E809-R844 IonicContact OE2-NE 3.17Å; E809-R844 PolarHBondContact OE2-NE 3.4Å; E809-R844 IonicContact OE2-NH2 2.82Å; E809-R844 PolarHBondContact OE2-NH2 3.3Å; E809-Y856 HydrophobicContact CG-CE1 4.16Å; E809-Y856 WeakPolarHBondContact OE1-CE1 3.42Å; E809-Y856 PolarHBondContact OE1-OH 3.39Å; E809-Y856 VanDerWaalsContact OE2-CE1 3.32Å; E809-Y856 WeakPolarHBondContact OE2-CE1 3.43Å
810M93.1Very high86.2Confident28 Ų2868.1 Ų68.114%0.13835%0.348CS..EExtended strand (participates in β ladder)trans-124.2143.4177-171.8-175.786.300109.4F819 K820 V822 I832 L835 Y841 R842 F843M810-F819 CarbonylContact O-C 3.46Å; M810-F819 WeakPolarHBondContact O-CA 3.35Å; M810-K820 PolarHBondContact N-O 3.2Å; M810-K820 PolarHBondContact O-N 3.45Å; M810-V822 HydrophobicContact CB-CB 4.44Å; M810-V822 HydrophobicContact CB-CG1 3.57Å; M810-V822 HydrophobicContact CB-CG2 3.99Å; M810-V822 HydrophobicContact SD-CG1 4.34Å; M810-I832 HydrophobicContact SD-CG2 4.32Å; M810-L835 HydrophobicContact CE-CD2 4.31Å; M810-L835 HydrophobicContact SD-CD2 3.71Å; M810-Y841 HydrophobicContact CE-CD1 3.97Å; M810-Y841 HydrophobicContact CE-CE1 4.18Å; M810-Y841 HydrophobicContact CG-CD1 4.25Å; M810-Y841 HydrophobicContact SD-CD1 3.68Å; M810-Y841 HydrophobicContact SD-CE1 4.36Å; M810-Y841 HydrophobicContact SD-CG 4.25Å; M810-R842 CarbonylContact C-O 3.56Å; M810-R842 WeakPolarHBondContact CA-O 3.49Å; M810-F843 HydrophobicContact CB-CD1 3.86Å; M810-F843 HydrophobicContact CB-CE1 3.8Å; M810-F843 HydrophobicContact CG-CD1 3.89Å; M810-F843 HydrophobicContact CG-CE1 3.48Å; M810-F843 VanDerWaalsContact CG-CE1 3.48Å; M810-F843 HydrophobicContact CG-CZ 4.03Å; M810-F843 HydrophobicContact SD-CE1 3.68Å; M810-F843 HydrophobicContact SD-CZ 3.99Å
811E91.6Very high86.9Confident24 Ų2470.9 Ų70.911%0.11235%0.349CS..EExtended strand (participates in β ladder)trans-66.1144.7174.8-169.5160.3-133.800112G817 A818 F819 R842E811-G817 PolarHBondContact OE1-N 3.25Å; E811-A818 CarbonylContact C-O 3.59Å; E811-A818 VanDerWaalsContact CA-O 3.31Å; E811-A818 WeakPolarHBondContact CA-O 3.32Å; E811-F819 HydrophobicContact CB-CD1 4.26Å; E811-F819 HydrophobicContact CB-CE1 3.9Å; E811-F819 HydrophobicContact CB-CZ 4.13Å; E811-F819 HydrophobicContact CG-CZ 4.43Å; E811-R842 HydrophobicContact CB-CB 4.09Å; E811-R842 PolarHBondContact N-O 3.06Å; E811-R842 IonicContact OE1-NH1 2.68Å; E811-R842 WeakPolarHBondContact OE2-CD 3.22Å; E811-R842 WeakPolarHBondContact OE2-CG 3.43Å; E811-R842 IonicContact OE2-CZ 3.93Å; E811-R842 IonicContact OE2-NE 3.82Å; E811-R842 IonicContact OE2-NH1 3.18Å; E811-R842 PolarHBondContact OE2-NH1 2.87Å
812E83.8Confident87.1Confident67 Ų6772.8 Ų72.831%0.31336%0.359SS..  trans-94.6122.9179.9-60.2-168.5128.200111.4E814 K815 A818 K820E812-E814 PolarHBondContact O-N 2.84Å; E812-K815 CarbonylContact O-C 3.51Å; E812-K815 PolarHBondContact O-N 2.86Å; E812-A818 HydrophobicContact CB-CB 4.4Å; E812-A818 PolarHBondContact N-O 3.45Å; E812-K820 HydrophobicContact CG-CB 3.81Å; E812-K820 WeakPolarHBondContact OE1-CD 3.38Å; E812-K820 WeakPolarHBondContact OE1-CG 3.28Å; E812-K820 IonicContact OE1-NZ 2.62Å; E812-K820 PolarHBondContact OE1-NZ 3.05Å
813E71Confident87.4Confident132 Ų13266.8 Ų66.862%0.61733%0.333SS*.THydrogen-bonded Turntrans-54.2-30.1-177.2-65.6173.6-167.600113.8K815 Y841E813-K815 VanDerWaalsContact C-N 3.3Å; E813-K815 PolarHBondContact O-N 2.8Å; E813-Y841 HydrophobicContact CG-CE1 4.42Å; E813-Y841 WeakPolarHBondContact OE1-CE1 3.36Å; E813-Y841 PolarHBondContact OE1-OH 3.1Å
814E71.1Confident87.6Confident197 Ų19768.4 Ų68.492%0.92135%0.347SS*.THydrogen-bonded Turntrans-74.9-13.8179.4-62.8-176.2175.300113.9E812E812-E814 PolarHBondContact O-N 2.84Å
815K72.3Confident87.6Confident146 Ų14663.5 Ų63.564%0.63533%0.325SS*.SBendtrans-160.995.8-169.2-160.6170.2-170.3173.40113.7E812 E813 G817 A818E812-K815 CarbonylContact O-C 3.51Å; E812-K815 PolarHBondContact O-N 2.86Å; E813-K815 VanDerWaalsContact C-N 3.3Å; E813-K815 PolarHBondContact O-N 2.8Å; K815-G817 PolarHBondContact O-N 3.05Å; K815-A818 HydrophobicContact CB-CB 3.92Å; K815-A818 HydrophobicContact CD-CB 4.33Å; K815-A818 HydrophobicContact CG-CB 4.16Å; K815-A818 WeakPolarHBondContact O-CB 3.18Å; K815-A818 PolarHBondContact O-N 3.15Å
816E73.4Confident87.5Confident165 Ų16567.3 Ų67.377%0.77135%0.349SS*.THydrogen-bonded Turntrans-50.9133.3174.3-169.4165.4-129.700112.1A818 R842E816-A818 VanDerWaalsContact C-N 3.32Å; E816-A818 PolarHBondContact O-N 3.49Å; E816-R842 IonicContact OE1-NH1 3.67Å
817G76.8Confident87.4Confident53 Ų5372 Ų7255%0.54637%0.374SS..THydrogen-bonded Turntrans81.6-7.9-172.300000115.9E811 K815 F819E811-G817 PolarHBondContact OE1-N 3.25Å; K815-G817 PolarHBondContact O-N 3.05Å; G817-F819 WeakPolarHBondContact O-CD2 3.46Å
818A87.3Confident87.3Confident23 Ų2377.9 Ų77.919%0.1940%0.395CS..  trans-86.5126.9172.700000110.8E811 E812 K815 E816E811-A818 CarbonylContact C-O 3.59Å; E811-A818 VanDerWaalsContact CA-O 3.31Å; E811-A818 WeakPolarHBondContact CA-O 3.32Å; E812-A818 HydrophobicContact CB-CB 4.4Å; E812-A818 PolarHBondContact N-O 3.45Å; K815-A818 HydrophobicContact CB-CB 3.92Å; K815-A818 HydrophobicContact CD-CB 4.33Å; K815-A818 HydrophobicContact CG-CB 4.16Å; K815-A818 WeakPolarHBondContact O-CB 3.18Å; K815-A818 PolarHBondContact O-N 3.15Å; E816-A818 VanDerWaalsContact C-N 3.32Å; E816-A818 PolarHBondContact O-N 3.49Å
819F90.8Very high87.3Confident42 Ų4282.5 Ų82.518%0.18442%0.416CS..EExtended strand (participates in β ladder)trans-120.9133.7-177-77-93.3000111.3E809 M810 E811 G817 R844 L859E809-F819 HydrophobicContact CB-CB 4.12Å; E809-F819 HydrophobicContact CB-CD1 4.4Å; M810-F819 CarbonylContact O-C 3.46Å; M810-F819 WeakPolarHBondContact O-CA 3.35Å; E811-F819 HydrophobicContact CB-CD1 4.26Å; E811-F819 HydrophobicContact CB-CE1 3.9Å; E811-F819 HydrophobicContact CB-CZ 4.13Å; E811-F819 HydrophobicContact CG-CZ 4.43Å; G817-F819 WeakPolarHBondContact O-CD2 3.46Å; F819-R844 HydrophobicContact CD1-CG 3.81Å; F819-R844 VanDerWaalsContact CD2-CZ 3.5Å; F819-R844 HydrophobicContact CE1-CG 4.03Å; F819-R844 HydrophobicContact CG-CG 4.45Å; F819-R844 VanDerWaalsContact CG-CZ 3.44Å; F819-L859 HydrophobicContact CE1-CD2 3.95Å; F819-L859 HydrophobicContact CZ-CD2 3.67Å
820K90.3Very high87.2Confident116 Ų11681.9 Ų81.950%0.50442%0.415SS..EExtended strand (participates in β ladder)trans-113.8133.5-176.2-163.7-163.9-147.288.80110.5E809 M810 E812 V822E809-K820 CarbonylContact C-O 3.46Å; E809-K820 WeakPolarHBondContact CA-O 3.23Å; M810-K820 PolarHBondContact N-O 3.2Å; M810-K820 PolarHBondContact O-N 3.45Å; E812-K820 HydrophobicContact CG-CB 3.81Å; E812-K820 WeakPolarHBondContact OE1-CD 3.38Å; E812-K820 WeakPolarHBondContact OE1-CG 3.28Å; E812-K820 IonicContact OE1-NZ 2.62Å; E812-K820 PolarHBondContact OE1-NZ 3.05Å; K820-V822 PolarHBondContact O-N 2.97Å
821E92.9Very high87.1Confident105 Ų10585.2 Ų85.249%0.49143%0.428SS..EExtended strand (participates in β ladder)trans-64119.7172.8-167.2-178.682.300110.2E809 S824E809-E821 HydrophobicContact CG-CB 4.45Å; E821-S824 VanDerWaalsContact OE1-CB 3.31Å; E821-S824 WeakPolarHBondContact OE1-CB 3.17Å; E821-S824 PolarHBondContact OE2-OG 3.01Å
822V91.9Very high87.2Confident47 Ų4784.7 Ų84.729%0.28543%0.426SS..EExtended strand (participates in β ladder)trans-110.7-15.9178.4-670000112.9L808 M810 K820 I832L808-V822 HydrophobicContact CD2-CG2 4.21Å; L808-V822 HydrophobicContact CG-CG2 3.99Å; L808-V822 WeakPolarHBondContact O-CG2 3.39Å; L808-V822 PolarHBondContact O-N 3.42Å; M810-V822 HydrophobicContact CB-CB 4.44Å; M810-V822 HydrophobicContact CB-CG1 3.57Å; M810-V822 HydrophobicContact CB-CG2 3.99Å; M810-V822 HydrophobicContact SD-CG1 4.34Å; K820-V822 PolarHBondContact O-N 2.97Å; V822-I832 HydrophobicContact CB-CD1 3.93Å; V822-I832 HydrophobicContact CG2-CD1 3.65Å; V822-I832 HydrophobicContact CG2-CG1 4.21Å
823Y93.7Very high87.5Confident42 Ų4287.6 Ų87.617%0.16544%0.44CS..EExtended strand (participates in β ladder)trans-154140.2167.9162.7-86000111.3W793 L808 G825 L827 A830W793-Y823 AromaticContact CH2-CD1 3.87Å; W793-Y823 HydrophobicContact CH2-CD1 3.87Å; W793-Y823 AromaticContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CZ2-CD1 4.02Å; W793-Y823 AromaticContact CZ2-CE1 3.67Å; W793-Y823 HydrophobicContact CZ2-CE1 3.67Å; L808-Y823 HydrophobicContact CB-CD1 4.2Å; L808-Y823 PolarHBondContact N-O 3.44Å; L808-Y823 PolarHBondContact O-N 3.42Å; L808-Y823 VanDerWaalsContact O-N 3.16Å; Y823-G825 WeakPolarHBondContact OH-CA 3.35Å; Y823-G825 PolarHBondContact OH-O 2.72Å; Y823-L827 WeakPolarHBondContact OH-CA 3.12Å; Y823-L827 VanDerWaalsContact OH-CB 3.29Å; Y823-L827 WeakPolarHBondContact OH-CB 3.41Å; Y823-L827 PolarHBondContact OH-N 2.86Å; Y823-L827 PolarHBondContact OH-O 3.39Å; Y823-A830 HydrophobicContact CD1-CB 4.02Å; Y823-A830 HydrophobicContact CD2-CB 3.7Å; Y823-A830 HydrophobicContact CE2-CB 4.35Å; Y823-A830 HydrophobicContact CG-CB 3.51Å
824S93.8Very high88.3Confident62 Ų6290.9 Ų90.943%0.43445%0.452SS..EExtended strand (participates in β ladder)trans-139.5117.7175.8-160.30000109.3Y806 L807 E821Y806-S824 WeakPolarHBondContact O-CA 3.44Å; L807-S824 WeakPolarHBondContact CD2-OG 3.32Å; E821-S824 VanDerWaalsContact OE1-CB 3.31Å; E821-S824 WeakPolarHBondContact OE1-CB 3.17Å; E821-S824 PolarHBondContact OE2-OG 3.01Å
825G91.7Very high89.1Confident11 Ų1182 Ų8211%0.11341%0.41CS..EExtended strand (participates in β ladder)trans167.7176.6-178.300000116.2Y806 Y823Y806-G825 PolarHBondContact N-O 2.92Å; Y806-G825 PolarHBondContact O-N 3.43Å; Y823-G825 WeakPolarHBondContact OH-CA 3.35Å; Y823-G825 PolarHBondContact OH-O 2.72Å
826P92.4Very high89.6Confident99 Ų9979.6 Ų79.664%0.64340%0.404SS*.SBendtrans-83.2-13.2-172.833.5-37000114.6
827L92.8Very high89.8Confident111 Ų11177.9 Ų77.958%0.58140%0.398SS*.SBendtrans-69.7146.5176.8-51.5177.8000110.4W793 Y806 Y823 Q829W793-L827 WeakPolarHBondContact CZ2-O 3.49Å; Y806-L827 WeakPolarHBondContact CD2-O 3.28Å; Y823-L827 WeakPolarHBondContact OH-CA 3.12Å; Y823-L827 VanDerWaalsContact OH-CB 3.29Å; Y823-L827 WeakPolarHBondContact OH-CB 3.41Å; Y823-L827 PolarHBondContact OH-N 2.86Å; Y823-L827 PolarHBondContact OH-O 3.39Å; L827-Q829 PolarHBondContact O-N 3.02Å
828R93.5Very high89.4Confident146 Ų14679.6 Ų79.655%0.55140%0.401SS*.SBendtrans-88.219177.8-73-175.2-69.5-157.30.5113.7R792 W793 Y806R792-R828 WeakPolarHBondContact CA-O 3.41Å; R792-R828 VanDerWaalsContact CG-O 3.3Å; R792-R828 WeakPolarHBondContact CG-O 3.16Å; W793-R828 VanDerWaalsContact CE2-C 3.49Å; W793-R828 PolarHBondContact N-O 3.23Å; Y806-R828 HydrophobicContact CD2-CG 4.49Å; Y806-R828 HydrophobicContact CE2-CG 3.7Å
829Q93.8Very high89Confident96 Ų9680.4 Ų80.445%0.44940%0.404SS..EExtended strand (participates in β ladder)trans-155.3151.5179.166.7-173.617.500111.1L791 R792 L827L791-Q829 CarbonylContact O-C 3.35Å; L791-Q829 WeakPolarHBondContact O-CA 3.46Å; L791-Q829 VanDerWaalsContact O-CB 3.29Å; L791-Q829 WeakPolarHBondContact O-CB 3.08Å; R792-Q829 HydrophobicContact CB-CB 4.07Å; R792-Q829 HydrophobicContact CG-CB 4.19Å; L827-Q829 PolarHBondContact O-N 3.02Å
830A92.3Very high88.8Confident8 Ų882.8 Ų82.87%0.06642%0.416CS..EExtended strand (participates in β ladder)trans-144.4145.7174.300000111.2L791 W793 L808 Y823 I832L791-A830 PolarHBondContact N-O 2.81Å; L791-A830 PolarHBondContact O-N 3.16Å; W793-A830 HydrophobicContact CH2-CB 3.78Å; W793-A830 HydrophobicContact CZ3-CB 4.23Å; L808-A830 HydrophobicContact CD2-CB 4.08Å; Y823-A830 HydrophobicContact CD1-CB 4.02Å; Y823-A830 HydrophobicContact CD2-CB 3.7Å; Y823-A830 HydrophobicContact CE2-CB 4.35Å; Y823-A830 HydrophobicContact CG-CB 3.51Å; A830-I832 HydrophobicContact CB-CD1 4.26Å
831K92.6Very high88.8Confident98 Ų9877.6 Ų77.643%0.42639%0.393SS..EExtended strand (participates in β ladder)trans-105.1109.5171.4-173.7175.7-178.7169.80109.3S788 L789 L790 Q833S788-K831 WeakPolarHBondContact OG-CE 3.49Å; L789-K831 CarbonylContact O-C 3.57Å; L789-K831 WeakPolarHBondContact O-CA 3.28Å; L790-K831 HydrophobicContact CD1-CB 4.06Å; K831-Q833 HydrophobicContact CD-CG 4.42Å; K831-Q833 HydrophobicContact CG-CG 4.1Å
832I93.1Very high88.7Confident13 Ų1375.8 Ų75.87%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-86.9131.8176-49.6-48.2000107.9S788 L789 L791 L808 M810 V822 A830 L835 F843S788-I832 CarbonylContact C-O 3.55Å; S788-I832 WeakPolarHBondContact CA-O 3.26Å; S788-I832 WeakPolarHBondContact CB-O 3.35Å; L789-I832 PolarHBondContact N-O 3.22Å; L789-I832 PolarHBondContact O-N 3.21Å; L791-I832 HydrophobicContact CD1-CG1 4.18Å; L808-I832 HydrophobicContact CD2-CD1 4.03Å; L808-I832 HydrophobicContact CD2-CG1 4.37Å; M810-I832 HydrophobicContact SD-CG2 4.32Å; V822-I832 HydrophobicContact CB-CD1 3.93Å; V822-I832 HydrophobicContact CG2-CD1 3.65Å; V822-I832 HydrophobicContact CG2-CG1 4.21Å; A830-I832 HydrophobicContact CB-CD1 4.26Å; I832-L835 HydrophobicContact CB-CD1 4.39Å; I832-L835 HydrophobicContact CG2-CD1 4.14Å; I832-L835 HydrophobicContact CG2-CD2 3.93Å; I832-L835 HydrophobicContact CG2-CG 4.2Å; I832-F843 HydrophobicContact CB-CE1 4.49Å; I832-F843 HydrophobicContact CG1-CE1 4.03Å; I832-F843 HydrophobicContact CG2-CE1 4.33Å
833Q89.9Confident88.8Confident128 Ų12873.6 Ų73.660%0.59837%0.368SS*.EExtended strand (participates in β ladder)trans-130.9166.8-173.9-56.2-171-89.100111.1T787 K831 L835T787-Q833 CarbonylContact O-C 3.58Å; K831-Q833 HydrophobicContact CD-CG 4.42Å; K831-Q833 HydrophobicContact CG-CG 4.1Å; Q833-L835 VanDerWaalsContact C-N 3.31Å
834K88Confident88.9Confident201 Ų20174.6 Ų74.687%0.87437%0.372SS*.SBendtrans6829.8-175.1-48178.3-179.7179.40113.3T787T787-K834 PolarHBondContact O-N 3.06Å
835L88.5Confident89Confident9 Ų971.6 Ų71.65%0.04735%0.351CS..PPolyproline II helixtrans-80.7148.8171.2-58.5179000109.5T787 L789 M810 I832 Q833 Y841 T864T787-L835 VanDerWaalsContact CA-O 3.3Å; T787-L835 WeakPolarHBondContact CA-O 3.37Å; T787-L835 WeakPolarHBondContact CB-O 3.38Å; T787-L835 PolarHBondContact O-N 2.94Å; L789-L835 HydrophobicContact CB-CD1 4.11Å; L789-L835 HydrophobicContact CD1-CD1 3.82Å; L789-L835 HydrophobicContact CG-CD1 3.79Å; M810-L835 HydrophobicContact CE-CD2 4.31Å; M810-L835 HydrophobicContact SD-CD2 3.71Å; I832-L835 HydrophobicContact CB-CD1 4.39Å; I832-L835 HydrophobicContact CG2-CD1 4.14Å; I832-L835 HydrophobicContact CG2-CD2 3.93Å; I832-L835 HydrophobicContact CG2-CG 4.2Å; Q833-L835 VanDerWaalsContact C-N 3.31Å; L835-Y841 HydrophobicContact CB-CD2 4.17Å; L835-Y841 HydrophobicContact CB-CE2 3.63Å; L835-Y841 HydrophobicContact CD1-CD2 4.08Å; L835-Y841 HydrophobicContact CD1-CE2 4.39Å; L835-Y841 HydrophobicContact CD2-CD1 4.02Å; L835-Y841 HydrophobicContact CD2-CD2 4.03Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 3.92Å; L835-Y841 HydrophobicContact CD2-CG 4.08Å; L835-Y841 HydrophobicContact CG-CD2 4.31Å; L835-Y841 HydrophobicContact CG-CE2 4.17Å; L835-T864 HydrophobicContact CB-CG2 3.33Å; L835-T864 HydrophobicContact CD1-CG2 3.81Å; L835-T864 HydrophobicContact CG-CG2 4.22Å
836L82.3Confident89.1Confident97 Ų9771.1 Ų71.151%0.50835%0.346SS..PPolyproline II helixtrans-70152171.7-63.4174.8000110.2T839 Y841 T864L836-T839 HydrophobicContact CB-CG2 4.31Å; L836-T839 WeakPolarHBondContact CB-OG1 3.32Å; L836-Y841 WeakPolarHBondContact CB-OH 3.25Å; L836-Y841 PolarHBondContact N-OH 3.41Å; L836-T864 WeakPolarHBondContact O-CB 3.4Å; L836-T864 WeakPolarHBondContact O-CG2 3.22Å; L836-T864 PolarHBondContact O-OG1 2.88Å
837M77.3Confident89.2Confident129 Ų12966.4 Ų66.464%0.63532%0.315SS*.THydrogen-bonded Turntrans-74.9152.6179.471.4-171.87800111.9K786 T839K786-M837 WeakPolarHBondContact O-CA 3.34Å; K786-M837 WeakPolarHBondContact O-CB 3.37Å; M837-T839 PolarHBondContact O-N 2.85Å; M837-T839 PolarHBondContact O-OG1 2.89Å
838S69Low89.2Confident88 Ų8865.8 Ų65.862%0.61531%0.308SS*.THydrogen-bonded Turntrans50.321.2-178.1-160.10000115.4T864S838-T864 PolarHBondContact N-OG1 2.92Å
839T78.6Confident89.1Confident41 Ų4159 Ų5925%0.25228%0.282SS..  trans-106.7134.5-171.5-60.20000110.6L836 M837 Y841 S863 T864L836-T839 HydrophobicContact CB-CG2 4.31Å; L836-T839 WeakPolarHBondContact CB-OG1 3.32Å; M837-T839 PolarHBondContact O-N 2.85Å; M837-T839 PolarHBondContact O-OG1 2.89Å; T839-Y841 HydrophobicContact CG2-CD2 4.42Å; T839-Y841 HydrophobicContact CG2-CE1 4.41Å; T839-Y841 HydrophobicContact CG2-CE2 3.67Å; T839-Y841 VanDerWaalsContact O-CD2 3.31Å; T839-Y841 WeakPolarHBondContact O-CD2 3.21Å; T839-S863 VanDerWaalsContact O-CA 3.27Å; T839-S863 WeakPolarHBondContact O-CA 3.36Å; T839-T864 PolarHBondContact N-OG1 3.21Å; T839-T864 PolarHBondContact O-N 3.11Å; T839-T864 VanDerWaalsContact O-N 3.1Å; T839-T864 PolarHBondContact O-OG1 3.44Å
840E86.6Confident88.9Confident91 Ų9161.9 Ų61.943%0.42530%0.296SS..EExtended strand (participates in β ladder)trans-72.2127.6176.9-178-179.110700110.8R842 I861E840-R842 IonicContact OE1-CZ 3.96Å; E840-R842 VanDerWaalsContact OE1-CZ 3.26Å; E840-R842 IonicContact OE1-NE 2.65Å; E840-R842 PolarHBondContact OE1-NE 2.96Å; E840-R842 IonicContact OE1-NH2 3.87Å; E840-R842 PolarHBondContact OE1-NH2 3.03Å; E840-I861 HydrophobicContact CG-CG2 3.4Å; E840-I861 VanDerWaalsContact CG-CG2 3.4Å
841Y89.1Confident88.7Confident8 Ų864.2 Ų64.23%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-122.2133.4171.6-70-77.7000110.9M810 E813 L835 L836 T839 F843 A862 T864M810-Y841 HydrophobicContact CE-CD1 3.97Å; M810-Y841 HydrophobicContact CE-CE1 4.18Å; M810-Y841 HydrophobicContact CG-CD1 4.25Å; M810-Y841 HydrophobicContact SD-CD1 3.68Å; M810-Y841 HydrophobicContact SD-CE1 4.36Å; M810-Y841 HydrophobicContact SD-CG 4.25Å; E813-Y841 HydrophobicContact CG-CE1 4.42Å; E813-Y841 WeakPolarHBondContact OE1-CE1 3.36Å; E813-Y841 PolarHBondContact OE1-OH 3.1Å; L835-Y841 HydrophobicContact CB-CD2 4.17Å; L835-Y841 HydrophobicContact CB-CE2 3.63Å; L835-Y841 HydrophobicContact CD1-CD2 4.08Å; L835-Y841 HydrophobicContact CD1-CE2 4.39Å; L835-Y841 HydrophobicContact CD2-CD1 4.02Å; L835-Y841 HydrophobicContact CD2-CD2 4.03Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 3.92Å; L835-Y841 HydrophobicContact CD2-CG 4.08Å; L835-Y841 HydrophobicContact CG-CD2 4.31Å; L835-Y841 HydrophobicContact CG-CE2 4.17Å; L836-Y841 WeakPolarHBondContact CB-OH 3.25Å; L836-Y841 PolarHBondContact N-OH 3.41Å; T839-Y841 HydrophobicContact CG2-CD2 4.42Å; T839-Y841 HydrophobicContact CG2-CE1 4.41Å; T839-Y841 HydrophobicContact CG2-CE2 3.67Å; T839-Y841 VanDerWaalsContact O-CD2 3.31Å; T839-Y841 WeakPolarHBondContact O-CD2 3.21Å; Y841-F843 VanDerWaalsContact CB-CE2 3.45Å; Y841-F843 HydrophobicContact CG-CZ 4.44Å; Y841-A862 PolarHBondContact N-O 3.45Å; Y841-A862 PolarHBondContact O-N 3.26Å; Y841-T864 HydrophobicContact CD2-CG2 4.09Å; Y841-T864 HydrophobicContact CE2-CG2 3.95Å
842R92.7Very high88.5Confident67 Ų6760.3 Ų60.325%0.25330%0.298SS..EExtended strand (participates in β ladder)trans-104.2120.7-179.2-47.1-161-168.6119.8-2.7110.3M810 E811 E816 E840 I861M810-R842 CarbonylContact C-O 3.56Å; M810-R842 WeakPolarHBondContact CA-O 3.49Å; E811-R842 HydrophobicContact CB-CB 4.09Å; E811-R842 PolarHBondContact N-O 3.06Å; E811-R842 IonicContact OE1-NH1 2.68Å; E811-R842 WeakPolarHBondContact OE2-CD 3.22Å; E811-R842 WeakPolarHBondContact OE2-CG 3.43Å; E811-R842 IonicContact OE2-CZ 3.93Å; E811-R842 IonicContact OE2-NE 3.82Å; E811-R842 IonicContact OE2-NH1 3.18Å; E811-R842 PolarHBondContact OE2-NH1 2.87Å; E816-R842 IonicContact OE1-NH1 3.67Å; E840-R842 IonicContact OE1-CZ 3.96Å; E840-R842 VanDerWaalsContact OE1-CZ 3.26Å; E840-R842 IonicContact OE1-NE 2.65Å; E840-R842 PolarHBondContact OE1-NE 2.96Å; E840-R842 IonicContact OE1-NH2 3.87Å; E840-R842 PolarHBondContact OE1-NH2 3.03Å; R842-I861 HydrophobicContact CG-CG1 4.16Å
843F94Very high88.4Confident0 Ų064.6 Ų64.60%032%0.317CS..EExtended strand (participates in β ladder)trans-114.8144.4-175.6-59.9-83.3000111.8P779 L789 L791 L808 E809 M810 I832 Y841 L859 C860 A862P779-F843 HydrophobicContact CG-CB 4.4Å; L789-F843 HydrophobicContact CD1-CE2 3.58Å; L789-F843 HydrophobicContact CD1-CZ 3.86Å; L791-F843 HydrophobicContact CD1-CB 4.39Å; L791-F843 HydrophobicContact CD1-CD1 3.75Å; L791-F843 HydrophobicContact CD1-CD2 3.99Å; L791-F843 HydrophobicContact CD1-CE1 3.97Å; L791-F843 HydrophobicContact CD1-CE2 4.2Å; L791-F843 HydrophobicContact CD1-CG 3.76Å; L791-F843 HydrophobicContact CD1-CZ 4.19Å; L808-F843 HydrophobicContact CD1-CB 4.21Å; E809-F843 CarbonylContact O-C 3.33Å; E809-F843 VanDerWaalsContact O-CA 3.26Å; E809-F843 WeakPolarHBondContact O-CA 3.31Å; M810-F843 HydrophobicContact CB-CD1 3.86Å; M810-F843 HydrophobicContact CB-CE1 3.8Å; M810-F843 HydrophobicContact CG-CD1 3.89Å; M810-F843 HydrophobicContact CG-CE1 3.48Å; M810-F843 VanDerWaalsContact CG-CE1 3.48Å; M810-F843 HydrophobicContact CG-CZ 4.03Å; M810-F843 HydrophobicContact SD-CE1 3.68Å; M810-F843 HydrophobicContact SD-CZ 3.99Å; I832-F843 HydrophobicContact CB-CE1 4.49Å; I832-F843 HydrophobicContact CG1-CE1 4.03Å; I832-F843 HydrophobicContact CG2-CE1 4.33Å; Y841-F843 VanDerWaalsContact CB-CE2 3.45Å; Y841-F843 HydrophobicContact CG-CZ 4.44Å; F843-L859 WeakPolarHBondContact O-CA 3.4Å; F843-C860 HydrophobicContact CB-CB 4.27Å; F843-C860 PolarHBondContact N-O 2.92Å; F843-C860 PolarHBondContact O-N 3.36Å; F843-A862 HydrophobicContact CD2-CB 4.31Å; F843-A862 HydrophobicContact CE2-CB 4.19Å
844R94.6Very high88.6Confident63 Ų6358.8 Ų58.824%0.23829%0.29CS..EExtended strand (participates in β ladder)trans-137.3146.4170.969.5-177.5-168-168.62.5111.4E809 F819 Y856 L859E809-R844 HydrophobicContact CB-CG 4.01Å; E809-R844 PolarHBondContact N-O 3.44Å; E809-R844 PolarHBondContact O-N 2.84Å; E809-R844 IonicContact OE2-CZ 3.85Å; E809-R844 IonicContact OE2-NE 3.17Å; E809-R844 PolarHBondContact OE2-NE 3.4Å; E809-R844 IonicContact OE2-NH2 2.82Å; E809-R844 PolarHBondContact OE2-NH2 3.3Å; F819-R844 HydrophobicContact CD1-CG 3.81Å; F819-R844 VanDerWaalsContact CD2-CZ 3.5Å; F819-R844 HydrophobicContact CE1-CG 4.03Å; F819-R844 HydrophobicContact CG-CG 4.45Å; F819-R844 VanDerWaalsContact CG-CZ 3.44Å; R844-Y856 HydrophobicContact CB-CD1 4.48Å; R844-Y856 HydrophobicContact CG-CD1 3.81Å; R844-Y856 HydrophobicContact CG-CG 4.19Å; R844-L859 HydrophobicContact CB-CD2 4.19Å
845L95.6Very high88.8Confident0 Ų055.2 Ų55.20%028%0.281CS..EExtended strand (participates in β ladder)trans-124.1134.8-170179.173.6000110.7P776 P779 W793 L807 L808 Y856 S857P776-L845 HydrophobicContact CB-CD2 3.97Å; P776-L845 HydrophobicContact CB-CG 4.38Å; P776-L845 HydrophobicContact CG-CB 4.33Å; P776-L845 HydrophobicContact CG-CD2 4.14Å; P776-L845 HydrophobicContact CG-CG 4.01Å; P776-L845 WeakPolarHBondContact CG-O 3.47Å; P779-L845 HydrophobicContact CG-CB 4.42Å; W793-L845 HydrophobicContact CB-CD2 3.41Å; W793-L845 VanDerWaalsContact CB-CD2 3.41Å; W793-L845 HydrophobicContact CD2-CD1 3.89Å; W793-L845 HydrophobicContact CD2-CD2 3.77Å; W793-L845 HydrophobicContact CE3-CD1 4.3Å; W793-L845 HydrophobicContact CE3-CD2 4.4Å; W793-L845 HydrophobicContact CG-CD1 4.25Å; W793-L845 HydrophobicContact CG-CD2 3.31Å; W793-L845 HydrophobicContact CG-CG 4.43Å; W793-L845 HydrophobicContact CH2-CD1 4.47Å; W793-L845 HydrophobicContact CZ2-CD1 4.09Å; L807-L845 CarbonylContact O-C 3.55Å; L807-L845 WeakPolarHBondContact O-CA 3.44Å; L808-L845 HydrophobicContact CB-CD1 4.19Å; L808-L845 HydrophobicContact CD1-CB 4.38Å; L808-L845 HydrophobicContact CD1-CD1 4.26Å; L845-Y856 CarbonylContact O-C 3.59Å; L845-Y856 VanDerWaalsContact O-CA 3.27Å; L845-Y856 WeakPolarHBondContact O-CA 3.27Å; L845-S857 PolarHBondContact N-OG 3.1Å; L845-S857 PolarHBondContact O-N 3.32Å
846A95.2Very high89.1Confident0 Ų057.1 Ų57.10%029%0.288CS..EExtended strand (participates in β ladder)trans-122.5154.916700000110.9Y806 L807 Y856Y806-A846 CarbonylContact C-O 3.59Å; Y806-A846 WeakPolarHBondContact CA-O 3.21Å; L807-A846 HydrophobicContact CB-CB 4.44Å; L807-A846 PolarHBondContact N-O 2.93Å; L807-A846 PolarHBondContact O-N 2.86Å; A846-Y856 HydrophobicContact CB-CD1 3.66Å; A846-Y856 HydrophobicContact CB-CE1 3.83Å; A846-Y856 HydrophobicContact CB-CG 4.21Å
847A94.3Very high89.6Confident0 Ų052.8 Ų52.80%027%0.266CS..EExtended strand (participates in β ladder)trans-110145171.600000110P773 P796 I803 Y806 K853 S854P773-A847 HydrophobicContact CB-CB 4.06Å; P773-A847 HydrophobicContact CG-CB 4.28Å; P796-A847 HydrophobicContact CG-CB 3.55Å; I803-A847 HydrophobicContact CD1-CB 4.24Å; I803-A847 HydrophobicContact CG2-CB 4.24Å; Y806-A847 HydrophobicContact CD1-CB 4.17Å; Y806-A847 HydrophobicContact CE1-CB 4.28Å; A847-K853 CarbonylContact O-C 3.6Å; A847-K853 WeakPolarHBondContact O-CA 3.4Å; A847-S854 PolarHBondContact N-OG 3.08Å; A847-S854 PolarHBondContact O-N 2.86Å; A847-S854 PolarHBondContact O-OG 2.8Å
848K93Very high90.2Very high99 Ų9952.2 Ų52.243%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-125.6121.4-178.3-177.1177.3178.3178.70111.1I803 M804 A805 G852I803-K848 CarbonylContact C-O 3.52Å; M804-K848 PolarHBondContact N-O 2.99Å; A805-K848 PolarHBondContact N-O 2.78Å; A805-K848 PolarHBondContact O-N 3.11Å; K848-G852 CarbonylContact C-O 3.56Å; K848-G852 VanDerWaalsContact CA-O 3.3Å; K848-G852 WeakPolarHBondContact CA-O 3.41Å
849N91.8Very high91.2Very high2 Ų252.1 Ų52.11%0.01125%0.253CS..  trans-108.2-163.9167.470.69.3000110.8T771 P773 D798 S801 K802 C851 G852T771-N849 PolarHBondContact O-ND2 3.09Å; P773-N849 HydrophobicContact CG-CB 3.85Å; D798-N849 PolarHBondContact O-ND2 2.82Å; S801-N849 WeakPolarHBondContact O-CB 3.46Å; S801-N849 PolarHBondContact O-ND2 2.92Å; S801-N849 VanDerWaalsContact O-ND2 3.1Å; K802-N849 WeakPolarHBondContact O-CB 3.22Å; N849-C851 WeakPolarHBondContact OD1-CA 3.41Å; N849-C851 VanDerWaalsContact OD1-CB 3.32Å; N849-C851 WeakPolarHBondContact OD1-CB 3.44Å; N849-C851 PolarHBondContact OD1-N 3.37Å; N849-G852 PolarHBondContact N-O 3.38Å; N849-G852 PolarHBondContact OD1-N 3.3Å; N849-G852 VanDerWaalsContact OD1-N 3.14Å; N849-G852 PolarHBondContact OD1-O 3.13Å
850Q89.3Confident91.7Very high157 Ų15750.8 Ų50.873%0.73425%0.246SC*.SBendtrans-74-25179.7-58.5170.8-39.500113.1S801 M804S801-Q850 VanDerWaalsContact OG-CB 3.32Å; S801-Q850 WeakPolarHBondContact OG-CB 3.18Å; S801-Q850 WeakPolarHBondContact OG-CG 3.37Å; S801-Q850 PolarHBondContact OG-N 2.9Å; S801-Q850 PolarHBondContact OG-OE1 3.39Å; S801-Q850 VanDerWaalsContact OG-OE1 3.13Å; M804-Q850 HydrophobicContact SD-CB 4.47Å; M804-Q850 HydrophobicContact SD-CG 3.67Å
851C87.4Confident91.8Very high57 Ų5750.9 Ų50.939%0.38525%0.248SC..SBendtrans-72.8-36.4174.8-58.60000111.1F772 N849F772-C851 HydrophobicContact CD1-CB 4.29Å; F772-C851 WeakPolarHBondContact CE1-O 3.15Å; N849-C851 WeakPolarHBondContact OD1-CA 3.41Å; N849-C851 VanDerWaalsContact OD1-CB 3.32Å; N849-C851 WeakPolarHBondContact OD1-CB 3.44Å; N849-C851 PolarHBondContact OD1-N 3.37Å
852G88.7Confident91.5Very high16 Ų1650.7 Ų50.717%0.16525%0.248CC..  trans158.3-155.9172.300000113.1K848 N849K848-G852 CarbonylContact C-O 3.56Å; K848-G852 VanDerWaalsContact CA-O 3.3Å; K848-G852 WeakPolarHBondContact CA-O 3.41Å; N849-G852 PolarHBondContact N-O 3.38Å; N849-G852 PolarHBondContact OD1-N 3.3Å; N849-G852 VanDerWaalsContact OD1-N 3.14Å; N849-G852 PolarHBondContact OD1-O 3.13Å
853K91.6Very high91.1Very high104 Ų10449.5 Ų49.545%0.45225%0.25SS..BIsolated β-bridgetrans-88147.5170.970.7174.2-170.8176.90111.1A847 Y856A847-K853 CarbonylContact O-C 3.6Å; A847-K853 WeakPolarHBondContact O-CA 3.4Å; K853-Y856 PolarHBondContact NZ-OH 3.03Å
854S93.1Very high90.3Very high6 Ų649.5 Ų49.54%0.04225%0.25CS..PPolyproline II helixtrans-68.3171163.5690000110.7P773 P776 A847P773-S854 WeakPolarHBondContact O-CB 3.45Å; P776-S854 WeakPolarHBondContact CD-OG 3.25Å; A847-S854 PolarHBondContact N-OG 3.08Å; A847-S854 PolarHBondContact O-N 2.86Å; A847-S854 PolarHBondContact O-OG 2.8Å
855D92.8Very high89Confident126 Ų12647.2 Ų47.267%0.67424%0.244SC*.PPolyproline II helixtrans-59.1157.4155-62-56.1000110.8K775 P776K775-D855 HydrophobicContact CB-CB 4.44Å; K775-D855 HydrophobicContact CD-CB 4.49Å; P776-D855 WeakPolarHBondContact CD-O 3.2Å
856Y94Very high87.4Confident48 Ų4847.5 Ų47.519%0.18825%0.247CC..PPolyproline II helixtrans-75.1151173.5-61.7-90.7000110.9K775 E809 R844 L845 A846 K853K775-Y856 VanDerWaalsContact CD-O 3.28Å; K775-Y856 WeakPolarHBondContact CD-O 3.43Å; K775-Y856 WeakPolarHBondContact CE-O 3.35Å; K775-Y856 WeakPolarHBondContact CG-O 3.33Å; K775-Y856 PolarHBondContact NZ-O 2.84Å; E809-Y856 HydrophobicContact CG-CE1 4.16Å; E809-Y856 WeakPolarHBondContact OE1-CE1 3.42Å; E809-Y856 PolarHBondContact OE1-OH 3.39Å; E809-Y856 VanDerWaalsContact OE2-CE1 3.32Å; E809-Y856 WeakPolarHBondContact OE2-CE1 3.43Å; R844-Y856 HydrophobicContact CB-CD1 4.48Å; R844-Y856 HydrophobicContact CG-CD1 3.81Å; R844-Y856 HydrophobicContact CG-CG 4.19Å; L845-Y856 CarbonylContact O-C 3.59Å; L845-Y856 VanDerWaalsContact O-CA 3.27Å; L845-Y856 WeakPolarHBondContact O-CA 3.27Å; A846-Y856 HydrophobicContact CB-CD1 3.66Å; A846-Y856 HydrophobicContact CB-CE1 3.83Å; A846-Y856 HydrophobicContact CB-CG 4.21Å; K853-Y856 PolarHBondContact NZ-OH 3.03Å
857S93.8Very high85.9Confident7 Ų750.3 Ų50.35%0.04927%0.27CS..PPolyproline II helixtrans-54.8165.917070.70000112.2K775 P776 L845K775-S857 VanDerWaalsContact CE-C 3.49Å; P776-S857 WeakPolarHBondContact O-CA 3.49Å; P776-S857 WeakPolarHBondContact O-CB 3.19Å; L845-S857 PolarHBondContact N-OG 3.1Å; L845-S857 PolarHBondContact O-N 3.32Å
858E89.9Confident84.6Confident116 Ų11652 Ų5254%0.54228%0.284SS..PPolyproline II helixtrans-60.3160.1158.5-43.7-50.2163.500110.1K775 P778 C860K775-E858 VanDerWaalsContact CE-OE1 3.24Å; K775-E858 WeakPolarHBondContact CE-OE1 3.31Å; K775-E858 IonicContact NZ-OE1 3.39Å; K775-E858 PolarHBondContact NZ-OE1 2.89Å; K775-E858 IonicContact NZ-OE2 3.55Å; K775-E858 PolarHBondContact NZ-OE2 2.76Å; P778-E858 HydrophobicContact CG-CB 3.92Å; E858-C860 PolarHBondContact O-N 2.83Å
859L90.1Very high83.7Confident86 Ų8647.7 Ų47.745%0.4527%0.266SS..PPolyproline II helixtrans-64.3123.7-179.4-60.2-179.9000110.5F819 F843 R844 I861F819-L859 HydrophobicContact CE1-CD2 3.95Å; F819-L859 HydrophobicContact CZ-CD2 3.67Å; F843-L859 WeakPolarHBondContact O-CA 3.4Å; R844-L859 HydrophobicContact CB-CD2 4.19Å; L859-I861 HydrophobicContact CB-CG1 4.36Å
860C88.5Confident83.1Confident14 Ų1453 Ų5310%0.09530%0.302CS..EExtended strand (participates in β ladder)trans-85.2104.9158.1166.80000107.1P778 P779 F843 E858P778-C860 HydrophobicContact CB-CB 4.34Å; P779-C860 HydrophobicContact CG-CB 3.66Å; P779-C860 WeakPolarHBondContact O-CB 3.49Å; P779-C860 PolarHBondContact O-SG 3.33Å; F843-C860 HydrophobicContact CB-CB 4.27Å; F843-C860 PolarHBondContact N-O 2.92Å; F843-C860 PolarHBondContact O-N 3.36Å; E858-C860 PolarHBondContact O-N 2.83Å
861I89.3Confident83Confident92 Ų9250 Ų5047%0.47229%0.288SS..EExtended strand (participates in β ladder)trans-84.9128.3168.7-56.8-176.2000107.2E840 R842 L859E840-I861 HydrophobicContact CG-CG2 3.4Å; E840-I861 VanDerWaalsContact CG-CG2 3.4Å; R842-I861 HydrophobicContact CG-CG1 4.16Å; L859-I861 HydrophobicContact CB-CG1 4.36Å
862A82.5Confident83.1Confident4 Ų448.1 Ų48.13%0.03328%0.275CS..EExtended strand (participates in β ladder)trans-150.4117.3-177.200000111.1V781 L789 Y841 F843V781-A862 HydrophobicContact CG2-CB 3.48Å; V781-A862 VanDerWaalsContact CG2-CB 3.48Å; L789-A862 HydrophobicContact CD1-CB 3.9Å; L789-A862 WeakPolarHBondContact CD1-O 3.37Å; Y841-A862 PolarHBondContact N-O 3.45Å; Y841-A862 PolarHBondContact O-N 3.26Å; F843-A862 HydrophobicContact CD2-CB 4.31Å; F843-A862 HydrophobicContact CE2-CB 4.19Å
863S83Confident83.1Confident42 Ų4254.1 Ų54.129%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-78.1140.4171.1-57.10000111.2T839T839-S863 VanDerWaalsContact O-CA 3.27Å; T839-S863 WeakPolarHBondContact O-CA 3.36Å
864T78.7Confident83.1Confident1 Ų151.4 Ų51.41%0.00629%0.292CS..PPolyproline II helixtrans-55.3157.6160.950.60000111.2L835 L836 S838 T839 Y841 G866L835-T864 HydrophobicContact CB-CG2 3.33Å; L835-T864 HydrophobicContact CD1-CG2 3.81Å; L835-T864 HydrophobicContact CG-CG2 4.22Å; L836-T864 WeakPolarHBondContact O-CB 3.4Å; L836-T864 WeakPolarHBondContact O-CG2 3.22Å; L836-T864 PolarHBondContact O-OG1 2.88Å; S838-T864 PolarHBondContact N-OG1 2.92Å; T839-T864 PolarHBondContact N-OG1 3.21Å; T839-T864 PolarHBondContact O-N 3.11Å; T839-T864 VanDerWaalsContact O-N 3.1Å; T839-T864 PolarHBondContact O-OG1 3.44Å; Y841-T864 HydrophobicContact CD2-CG2 4.09Å; Y841-T864 HydrophobicContact CE2-CG2 3.95Å; T864-G866 PolarHBondContact O-N 2.95Å
865S66.4Low83.1Confident14 Ų1451.1 Ų51.110%0.09829%0.29CS..PPolyproline II helixtrans-58.5127.4172.4-163.40000110.8M785 K786 D942M785-S865 PolarHBondContact O-N 2.88Å; K786-S865 WeakPolarHBondContact CA-O 3.12Å; S865-D942 VanDerWaalsContact CA-CG 3.46Å; S865-D942 WeakPolarHBondContact CA-OD1 3.31Å; S865-D942 WeakPolarHBondContact CA-OD2 3.36Å; S865-D942 WeakPolarHBondContact CB-OD1 3.36Å; S865-D942 WeakPolarHBondContact OG-CB 3.37Å; S865-D942 PolarHBondContact OG-OD1 3.46Å
866G61.8Low83.2Confident6 Ų650.9 Ų50.96%0.06228%0.28CS..  trans-78.3-143.1172.600000111.8K786 T864 D942K786-G866 WeakPolarHBondContact CE-O 3.5Å; T864-G866 PolarHBondContact O-N 2.95Å; G866-D942 PolarHBondContact N-OD2 3.45Å
867A64.1Low83.2Confident59 Ų5951.8 Ų51.849%0.48829%0.287SS..PPolyproline II helixtrans-93.614915400000108.4N940A867-N940 PolarHBondContact O-ND2 3.41Å
868A66.2Low83.2Confident35 Ų3555.9 Ų55.929%0.28931%0.308SS..PPolyproline II helixtrans-54.8149.115100000108.1
869P74.6Confident83.3Confident10 Ų1054.2 Ų54.27%0.06530%0.3CS..PPolyproline II helixtrans-59.1153.5-172.8-20.632.7000111.3A894 A938 N940 G943 A945P869-A894 HydrophobicContact CB-CB 4.2Å; P869-A894 HydrophobicContact CG-CB 3.7Å; P869-A938 HydrophobicContact CB-CB 3.94Å; P869-A938 HydrophobicContact CG-CB 4.23Å; P869-N940 HydrophobicContact CG-CB 4.25Å; P869-G943 VanDerWaalsContact CD-O 3.25Å; P869-G943 WeakPolarHBondContact CD-O 3.38Å; P869-A945 HydrophobicContact CB-CB 4.22Å; P869-A945 WeakPolarHBondContact O-CA 3.25Å; P869-A945 WeakPolarHBondContact O-CB 3.33Å
870C79.8Confident83.4Confident113 Ų11351.2 Ų51.276%0.76429%0.287SS*.PPolyproline II helixtrans-62.4159169.3-68.80000109.8P872 A945C870-P872 WeakPolarHBondContact O-CD 3.14Å; C870-A945 WeakPolarHBondContact O-CB 3.24Å
871Q87.4Confident83.4Confident95 Ų9554 Ų5444%0.44430%0.298SS..PPolyproline II helixtrans-51.2117.7171-174.3-175.24.800108.2P946 P947 D949Q871-P946 HydrophobicContact CB-CB 4.24Å; Q871-P946 HydrophobicContact CB-CG 4.4Å; Q871-P946 HydrophobicContact CG-CB 4.23Å; Q871-P947 VanDerWaalsContact CG-O 3.3Å; Q871-P947 WeakPolarHBondContact CG-O 3.24Å; Q871-P947 PolarHBondContact NE2-O 2.84Å; Q871-D949 PolarHBondContact NE2-OD1 2.95Å; Q871-D949 VanDerWaalsContact NE2-OD1 3.07Å
872P89.1Confident83.4Confident16 Ų1650.5 Ų50.510%0.10428%0.283CS..PPolyproline II helixtrans-70.3151.1-177.928.3-32.8000109.8C870 L936 A938 P946 S948C870-P872 WeakPolarHBondContact O-CD 3.14Å; P872-L936 HydrophobicContact CB-CD2 4.17Å; P872-L936 HydrophobicContact CG-CB 4.14Å; P872-L936 HydrophobicContact CG-CD2 4.36Å; P872-L936 HydrophobicContact CG-CG 4.4Å; P872-L936 WeakPolarHBondContact CG-O 3.37Å; P872-A938 HydrophobicContact CB-CB 4.27Å; P872-A938 HydrophobicContact CG-CB 4.07Å; P872-P946 WeakPolarHBondContact CD-O 3.19Å; P872-S948 WeakPolarHBondContact O-CA 3.38Å; P872-S948 WeakPolarHBondContact O-CB 3.3Å
873E89.3Confident83.7Confident143 Ų14354.3 Ų54.367%0.66830%0.303SS*.PPolyproline II helixtrans-61.1150.5169.3-64.3-168.6168.200110.3
874P90.9Very high84.2Confident47 Ų4753.5 Ų53.531%0.30529%0.294SS..PPolyproline II helixtrans-57.5140178.1-24.134.8000111.6W876 D949 I951P874-W876 PolarHBondContact O-N 2.9Å; P874-D949 HydrophobicContact CG-CB 4.01Å; P874-I951 HydrophobicContact CB-CB 3.97Å; P874-I951 HydrophobicContact CB-CD1 4.23Å; P874-I951 HydrophobicContact CB-CG2 4.06Å
875P93.3Very high85Confident0 Ų053.5 Ų53.50%029%0.294CS..PPolyproline II helixtrans-63.8135179.927.7-34000109.9L887 G888 W889 L899 F934 I951 F953P875-L887 HydrophobicContact CB-CB 4.43Å; P875-L887 HydrophobicContact CG-CD1 4.43Å; P875-G888 CarbonylContact C-O 3.59Å; P875-G888 VanDerWaalsContact CA-O 3.25Å; P875-G888 WeakPolarHBondContact CA-O 3.3Å; P875-W889 HydrophobicContact CB-CE3 4.03Å; P875-L899 HydrophobicContact CG-CD1 4.06Å; P875-F934 HydrophobicContact CG-CB 4.26Å; P875-I951 HydrophobicContact CG-CG2 4.09Å; P875-F953 WeakPolarHBondContact O-CE2 3.15Å; P875-F953 WeakPolarHBondContact O-CZ 3.45Å
876W94.6Very high86.3Confident120 Ų12053.7 Ų53.746%0.45530%0.295SS..EExtended strand (participates in β ladder)trans-88.6159.3175.665.279.9000111.5P874 L887 G888 W889 Q890P874-W876 PolarHBondContact O-N 2.9Å; W876-L887 CarbonylContact O-C 3.59Å; W876-L887 WeakPolarHBondContact O-CA 3.32Å; W876-G888 PolarHBondContact N-O 2.96Å; W876-G888 PolarHBondContact O-N 3.18Å; W876-W889 VanDerWaalsContact CZ3-C 3.47Å; W876-Q890 HydrophobicContact CH2-CB 4.21Å; W876-Q890 VanDerWaalsContact CH2-N 3.32Å; W876-Q890 HydrophobicContact CZ3-CB 4.1Å; W876-Q890 VanDerWaalsContact CZ3-N 3.26Å
877L94.9Very high87.9Confident67 Ų6753.4 Ų53.435%0.35129%0.292SS..EExtended strand (participates in β ladder)trans-83122.5174-179.662.1000110E879 A880 L885 L887 F953L877-E879 WeakPolarHBondContact CD1-O 3.36Å; L877-A880 HydrophobicContact CD1-CB 4.15Å; L877-A880 HydrophobicContact CD2-CB 4.02Å; L877-L885 HydrophobicContact CD1-CD2 3.94Å; L877-L887 HydrophobicContact CB-CD2 4.4Å; L877-L887 HydrophobicContact CD1-CD2 3.79Å; L877-F953 HydrophobicContact CB-CD1 3.94Å; L877-F953 HydrophobicContact CB-CE1 3.72Å; L877-F953 HydrophobicContact CB-CE2 4.38Å; L877-F953 HydrophobicContact CB-CG 4.37Å; L877-F953 HydrophobicContact CB-CZ 3.95Å; L877-F953 HydrophobicContact CD2-CD1 4.2Å
878I93.6Very high89.3Confident94 Ų9450.6 Ų50.648%0.48227%0.268SS..EExtended strand (participates in β ladder)trans-87.9-47.7171.4-62.4173.8000109.7T886I878-T886 WeakPolarHBondContact CA-O 3.47Å; I878-T886 HydrophobicContact CB-CG2 4.14Å; I878-T886 WeakPolarHBondContact CB-O 3.44Å; I878-T886 HydrophobicContact CD1-CG2 4.44Å; I878-T886 HydrophobicContact CG2-CG2 4.39Å; I878-T886 PolarHBondContact N-O 3.45Å
879E91.9Very high90.6Very high81 Ų8149.2 Ų49.238%0.37926%0.256SS..EExtended strand (participates in β ladder)trans-151.7132.4-177.4-176.1-161.3-148.900109.3L877 K881 T886L877-E879 WeakPolarHBondContact CD1-O 3.36Å; E879-K881 WeakPolarHBondContact OE1-CE 3.47Å; E879-K881 IonicContact OE1-NZ 3.52Å; E879-K881 PolarHBondContact OE1-NZ 3.26Å; E879-K881 IonicContact OE2-NZ 3.51Å; E879-K881 PolarHBondContact OE2-NZ 3.39Å; E879-T886 PolarHBondContact N-O 3.44Å; E879-T886 PolarHBondContact O-N 3Å; E879-T886 PolarHBondContact OE2-OG1 3.09Å
880A91.9Very high91.2Very high22 Ų2255.3 Ų55.318%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-105.5138.8167.500000110.6L877 L885 L956L877-A880 HydrophobicContact CD1-CB 4.15Å; L877-A880 HydrophobicContact CD2-CB 4.02Å; A880-L885 HydrophobicContact CB-CD2 3.56Å; A880-L956 HydrophobicContact CB-CD1 4.49Å; A880-L956 HydrophobicContact CB-CD2 4.04Å; A880-L956 HydrophobicContact CB-CG 3.85Å; A880-L956 VanDerWaalsContact O-CD1 3.23Å; A880-L956 WeakPolarHBondContact O-CD1 3.41Å
881K89.2Confident91.4Very high73 Ų7358.3 Ų58.332%0.31728%0.279SS..  trans-124.1-171.8161.5-51.9-164.2174.383.50108.6E879 Q884 T955 L956E879-K881 WeakPolarHBondContact OE1-CE 3.47Å; E879-K881 IonicContact OE1-NZ 3.52Å; E879-K881 PolarHBondContact OE1-NZ 3.26Å; E879-K881 IonicContact OE2-NZ 3.51Å; E879-K881 PolarHBondContact OE2-NZ 3.39Å; K881-Q884 CarbonylContact C-O 3.54Å; K881-Q884 HydrophobicContact CB-CG 3.7Å; K881-Q884 HydrophobicContact CD-CG 3.87Å; K881-Q884 HydrophobicContact CG-CG 3.84Å; K881-Q884 PolarHBondContact N-O 2.99Å; K881-Q884 VanDerWaalsContact NZ-NE2 3.13Å; K881-T955 WeakPolarHBondContact O-CA 3.44Å; K881-L956 PolarHBondContact O-N 3.05Å
882A87.4Confident90.8Very high19 Ų1955.8 Ų55.816%0.15727%0.272CS..SBendtrans-80-31.8-178.500000113.7R928 T955 L956 T958A882-R928 HydrophobicContact CB-CB 3.91Å; A882-R928 WeakPolarHBondContact O-CA 3.48Å; A882-R928 WeakPolarHBondContact O-CB 3.38Å; A882-R928 PolarHBondContact O-N 2.94Å; A882-T955 WeakPolarHBondContact O-CB 3.41Å; A882-L956 WeakPolarHBondContact CA-O 3.03Å; A882-L956 WeakPolarHBondContact CB-O 3.5Å; A882-T958 HydrophobicContact CB-CG2 3.38Å
883D90.6Very high90Very high84 Ų8462.3 Ų62.345%0.44931%0.306SS..SBendtrans-113-5.7-176.964.6-34.8000113.3Y924 N925 L926D883-Y924 CarbonylContact O-C 3.49Å; D883-N925 PolarHBondContact O-N 2.67Å; D883-L926 PolarHBondContact O-N 3.05Å
884Q92.9Very high89.5Confident25 Ų2555.9 Ų55.912%0.11728%0.277CS..  trans-143.3150.9178.159.6162.985.800113.9K881 T886 T922 V923 Y924K881-Q884 CarbonylContact C-O 3.54Å; K881-Q884 HydrophobicContact CB-CG 3.7Å; K881-Q884 HydrophobicContact CD-CG 3.87Å; K881-Q884 HydrophobicContact CG-CG 3.84Å; K881-Q884 PolarHBondContact N-O 2.99Å; K881-Q884 VanDerWaalsContact NZ-NE2 3.13Å; Q884-T886 PolarHBondContact NE2-OG1 3.42Å; Q884-T922 HydrophobicContact CB-CG2 3.9Å; Q884-T922 HydrophobicContact CG-CG2 4.29Å; Q884-T922 VanDerWaalsContact NE2-CG2 3.26Å; Q884-V923 CarbonylContact C-O 3.54Å; Q884-V923 WeakPolarHBondContact CA-O 3.43Å; Q884-V923 WeakPolarHBondContact CB-O 3.36Å; Q884-Y924 HydrophobicContact CB-CD1 4.07Å
885L94.5Very high89.2Confident0 Ų057.7 Ų57.70%028%0.284CS..EExtended strand (participates in β ladder)trans-125.3119.8169.4-69.1175.4000109L877 A880 L887 V923 L926 F934 F953 T955L877-L885 HydrophobicContact CD1-CD2 3.94Å; A880-L885 HydrophobicContact CB-CD2 3.56Å; L885-L887 HydrophobicContact CB-CD2 4.31Å; L885-V923 PolarHBondContact N-O 2.93Å; L885-V923 PolarHBondContact O-N 3.01Å; L885-L926 HydrophobicContact CB-CD1 3.89Å; L885-L926 HydrophobicContact CD1-CD1 3.81Å; L885-L926 HydrophobicContact CG-CD1 3.61Å; L885-F934 HydrophobicContact CD1-CE2 3.65Å; L885-F934 HydrophobicContact CD1-CZ 3.8Å; L885-F953 HydrophobicContact CD1-CB 3.91Å; L885-T955 HydrophobicContact CD1-CG2 4.22Å; L885-T955 HydrophobicContact CD2-CG2 4.29Å; L885-T955 HydrophobicContact CG-CG2 3.97Å
886T94.6Very high89Confident18 Ų1861 Ų6111%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-92.2108.3174.6-48.60000108I878 E879 Q884 T922I878-T886 WeakPolarHBondContact CA-O 3.47Å; I878-T886 HydrophobicContact CB-CG2 4.14Å; I878-T886 WeakPolarHBondContact CB-O 3.44Å; I878-T886 HydrophobicContact CD1-CG2 4.44Å; I878-T886 HydrophobicContact CG2-CG2 4.39Å; I878-T886 PolarHBondContact N-O 3.45Å; E879-T886 PolarHBondContact N-O 3.44Å; E879-T886 PolarHBondContact O-N 3Å; E879-T886 PolarHBondContact OE2-OG1 3.09Å; Q884-T886 PolarHBondContact NE2-OG1 3.42Å; T886-T922 PolarHBondContact OG1-OG1 2.88Å
887L95.4Very high88.9Confident0 Ų055.3 Ų55.30%028%0.278CS..EExtended strand (participates in β ladder)trans-103.9151.8-179.3-55.2-171.2000111.2P875 W876 L877 L885 W889 L899 S920 Y921 F934 F953P875-L887 HydrophobicContact CB-CB 4.43Å; P875-L887 HydrophobicContact CG-CD1 4.43Å; W876-L887 CarbonylContact O-C 3.59Å; W876-L887 WeakPolarHBondContact O-CA 3.32Å; L877-L887 HydrophobicContact CB-CD2 4.4Å; L877-L887 HydrophobicContact CD1-CD2 3.79Å; L885-L887 HydrophobicContact CB-CD2 4.31Å; L887-W889 HydrophobicContact CB-CZ3 4.39Å; L887-L899 HydrophobicContact CD1-CD1 4.17Å; L887-L899 HydrophobicContact CD1-CD2 4.15Å; L887-S920 CarbonylContact O-C 3.52Å; L887-S920 WeakPolarHBondContact O-CA 3.06Å; L887-S920 VanDerWaalsContact O-CB 3.31Å; L887-S920 WeakPolarHBondContact O-CB 3.4Å; L887-Y921 PolarHBondContact N-O 3.08Å; L887-Y921 PolarHBondContact O-N 3.46Å; L887-F934 HydrophobicContact CD1-CB 4.16Å; L887-F934 HydrophobicContact CD1-CD1 3.58Å; L887-F934 HydrophobicContact CD1-CD2 3.96Å; L887-F934 HydrophobicContact CD1-CE1 3.88Å; L887-F934 HydrophobicContact CD1-CE2 4.23Å; L887-F934 HydrophobicContact CD1-CG 3.61Å; L887-F934 HydrophobicContact CD1-CZ 4.2Å; L887-F953 HydrophobicContact CD1-CD2 4.23Å; L887-F953 HydrophobicContact CD1-CE2 4.31Å; L887-F953 HydrophobicContact CD2-CD2 3.52Å; L887-F953 HydrophobicContact CD2-CE2 3.65Å; L887-F953 HydrophobicContact CD2-CG 4.42Å
888G93.4Very high88.8Confident0 Ų054 Ų540%027%0.27CS..EExtended strand (participates in β ladder)trans-131.2158.6176.300000112P875 W876 C919P875-G888 CarbonylContact C-O 3.59Å; P875-G888 VanDerWaalsContact CA-O 3.25Å; P875-G888 WeakPolarHBondContact CA-O 3.3Å; W876-G888 PolarHBondContact N-O 2.96Å; W876-G888 PolarHBondContact O-N 3.18Å; G888-C919 WeakPolarHBondContact CA-O 3.2Å
889W93.6Very high88.9Confident7 Ų749.5 Ų49.53%0.02725%0.247CC..  trans-150.6158.4175.148.791.3000110.8P875 W876 L887 Y897 L899 T916 E918 C919 L936P875-W889 HydrophobicContact CB-CE3 4.03Å; W876-W889 VanDerWaalsContact CZ3-C 3.47Å; L887-W889 HydrophobicContact CB-CZ3 4.39Å; W889-Y897 AromaticContact CD1-CD1 3.64Å; W889-Y897 AromaticContact CD1-CE1 3.82Å; W889-Y897 AromaticContact CD1-CG 3.95Å; W889-Y897 HydrophobicContact CZ2-CG 4.43Å; W889-Y897 AromaticContact NE1-CD1 3.38Å; W889-Y897 AromaticContact NE1-CD2 3.57Å; W889-Y897 AromaticContact NE1-CE1 3.91Å; W889-Y897 AromaticContact NE1-CG 3.19Å; W889-L899 HydrophobicContact CZ3-CD2 4.47Å; W889-T916 HydrophobicContact CH2-CG2 4.18Å; W889-T916 HydrophobicContact CZ2-CG2 3.8Å; W889-E918 VanDerWaalsContact CZ2-O 3.32Å; W889-E918 WeakPolarHBondContact CZ2-O 3.41Å; W889-E918 PolarHBondContact NE1-O 2.67Å; W889-C919 PolarHBondContact N-O 2.93Å; W889-C919 WeakPolarHBondContact O-CB 3.42Å; W889-L936 HydrophobicContact CB-CD2 3.59Å; W889-L936 HydrophobicContact CD2-CD1 3.91Å; W889-L936 HydrophobicContact CD2-CD2 3.77Å; W889-L936 HydrophobicContact CE3-CD1 4.07Å; W889-L936 HydrophobicContact CE3-CD2 4.44Å; W889-L936 HydrophobicContact CG-CD1 4.42Å; W889-L936 HydrophobicContact CG-CD2 3.37Å; W889-L936 HydrophobicContact CH2-CD1 4.32Å; W889-L936 HydrophobicContact CZ2-CD1 4.18Å; W889-L936 HydrophobicContact CZ3-CD1 4.27Å
890Q86.8Confident89Confident137 Ų13746.9 Ų46.964%0.6424%0.235SC*.  trans-73139.1-179.6-175.2165.9-29.800110.6W876 S892W876-Q890 HydrophobicContact CH2-CB 4.21Å; W876-Q890 VanDerWaalsContact CH2-N 3.32Å; W876-Q890 HydrophobicContact CZ3-CB 4.1Å; W876-Q890 VanDerWaalsContact CZ3-N 3.26Å; Q890-S892 PolarHBondContact O-N 3.29Å
891R83.4Confident89.1Confident176 Ų17647.8 Ų47.866%0.66424%0.236SC*.  trans-67.2118.8173.2-163.7173.5-172.71064.8109.6C919R891-C919 VanDerWaalsContact CB-SG 3.6Å
892S74.6Confident89.3Confident43 Ų4345.4 Ų45.430%0.30123%0.226SC..  trans-111.4-178.1176.271.40000111.2Q890 A894 Y897Q890-S892 PolarHBondContact O-N 3.29Å; S892-A894 PolarHBondContact O-N 2.87Å; S892-Y897 PolarHBondContact N-OH 2.98Å; S892-Y897 PolarHBondContact O-OH 2.91Å; S892-Y897 PolarHBondContact OG-OH 2.7Å
893D73.2Confident89.2Confident152 Ų15246 Ų4681%0.81323%0.226SC*.SBendtrans-72.738.2179-45.2-32000113.3N940D893-N940 PolarHBondContact O-ND2 2.89Å
894A79.1Confident88.7Confident8 Ų845.2 Ų45.27%0.06622%0.224CC..  trans-121.3137.2-173.100000111.8P869 S892 Y897 A938 S939P869-A894 HydrophobicContact CB-CB 4.2Å; P869-A894 HydrophobicContact CG-CB 3.7Å; S892-A894 PolarHBondContact O-N 2.87Å; A894-Y897 HydrophobicContact CB-CE1 4.08Å; A894-Y897 HydrophobicContact CB-CE2 4.46Å; A894-A938 HydrophobicContact CB-CB 3.82Å; A894-S939 CarbonylContact C-O 3.6Å; A894-S939 WeakPolarHBondContact CB-O 3.27Å
895D83.4Confident87.9Confident86 Ų8651 Ų5146%0.4625%0.251SS..SBendtrans-80.1-32.7-179.7-57-52.3000112.1Q917 S939 N940 E941D895-Q917 WeakPolarHBondContact O-CG 3.49Å; D895-S939 PolarHBondContact N-O 2.66Å; D895-N940 WeakPolarHBondContact OD2-CA 2.99Å; D895-N940 VanDerWaalsContact OD2-CB 3.23Å; D895-N940 WeakPolarHBondContact OD2-CB 3.43Å; D895-E941 PolarHBondContact OD2-N 2.68Å
896E89.5Confident87Confident68 Ų6853.1 Ų53.132%0.31827%0.266SS..EExtended strand (participates in β ladder)trans-142134.3-174.6-176.7-176.9-85.900111.7Q898 T915 S939E896-Q898 PolarHBondContact OE2-NE2 2.83Å; E896-T915 HydrophobicContact CG-CG2 3.51Å; E896-T915 VanDerWaalsContact OE1-CG2 3.31Å; E896-T915 WeakPolarHBondContact OE1-CG2 3.43Å; E896-T915 VanDerWaalsContact OE2-CG2 3.27Å; E896-T915 WeakPolarHBondContact OE2-CG2 3.31Å; E896-S939 PolarHBondContact N-O 2.87Å; E896-S939 PolarHBondContact O-N 2.92Å; E896-S939 PolarHBondContact O-OG 2.95Å; E896-S939 VanDerWaalsContact O-OG 3.04Å
897Y93Very high86.1Confident1 Ų155.7 Ų55.70%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-110.3128.1174.2-59.3-89.6000110.5W889 S892 A894 T915 T916 L936 I937 A938W889-Y897 AromaticContact CD1-CD1 3.64Å; W889-Y897 AromaticContact CD1-CE1 3.82Å; W889-Y897 AromaticContact CD1-CG 3.95Å; W889-Y897 HydrophobicContact CZ2-CG 4.43Å; W889-Y897 AromaticContact NE1-CD1 3.38Å; W889-Y897 AromaticContact NE1-CD2 3.57Å; W889-Y897 AromaticContact NE1-CE1 3.91Å; W889-Y897 AromaticContact NE1-CG 3.19Å; S892-Y897 PolarHBondContact N-OH 2.98Å; S892-Y897 PolarHBondContact O-OH 2.91Å; S892-Y897 PolarHBondContact OG-OH 2.7Å; A894-Y897 HydrophobicContact CB-CE1 4.08Å; A894-Y897 HydrophobicContact CB-CE2 4.46Å; Y897-T915 WeakPolarHBondContact O-CA 3.38Å; Y897-T916 PolarHBondContact N-O 2.98Å; Y897-T916 PolarHBondContact O-N 2.99Å; Y897-L936 HydrophobicContact CD1-CD2 3.89Å; Y897-L936 HydrophobicContact CD1-CG 4.33Å; Y897-I937 WeakPolarHBondContact CA-O 3.42Å; Y897-A938 HydrophobicContact CD1-CB 4.12Å; Y897-A938 HydrophobicContact CE1-CB 4.03Å
898Q93.8Very high85.4Confident39 Ų3964.5 Ų64.518%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-109.3108.7174.6-62.7-177.13.100108.7E896 F900 C914 T915 I937E896-Q898 PolarHBondContact OE2-NE2 2.83Å; Q898-F900 HydrophobicContact CB-CD2 4.43Å; Q898-F900 HydrophobicContact CB-CE2 3.78Å; Q898-C914 WeakPolarHBondContact CA-O 3.24Å; Q898-T915 HydrophobicContact CG-CG2 4.03Å; Q898-I937 HydrophobicContact CB-CB 4.37Å; Q898-I937 PolarHBondContact N-O 2.88Å; Q898-I937 PolarHBondContact O-N 3.5Å
899L94.7Very high85.1Confident0 Ų065.4 Ų65.40%034%0.34CS..EExtended strand (participates in β ladder)trans-84.8124174.6-178.868000108.5P875 L887 W889 A913 C914 Y921 V923 F934 L936P875-L899 HydrophobicContact CG-CD1 4.06Å; L887-L899 HydrophobicContact CD1-CD1 4.17Å; L887-L899 HydrophobicContact CD1-CD2 4.15Å; W889-L899 HydrophobicContact CZ3-CD2 4.47Å; L899-A913 HydrophobicContact CD2-CB 4.26Å; L899-A913 HydrophobicContact CG-CB 4.28Å; L899-A913 PolarHBondContact O-N 2.91Å; L899-C914 WeakPolarHBondContact CB-SG 3.48Å; L899-C914 PolarHBondContact N-O 2.82Å; L899-C914 PolarHBondContact O-N 2.92Å; L899-Y921 HydrophobicContact CD2-CD1 4.14Å; L899-V923 HydrophobicContact CD2-CG2 3.73Å; L899-F934 HydrophobicContact CD1-CB 4.47Å; L899-F934 HydrophobicContact CD1-CD1 4.19Å; L899-F934 HydrophobicContact CD2-CD1 4.43Å; L899-F934 HydrophobicContact CG-CD1 4.38Å; L899-L936 HydrophobicContact CB-CD1 4.24Å; L899-L936 HydrophobicContact CD1-CD1 4.16Å
900F94.2Very high85.1Confident27 Ų2767.2 Ų67.212%0.11835%0.348CS..EExtended strand (participates in β ladder)trans-104.8139172.3-71.6-101.9000110Q898 F910 L911 P912 F934 R935 I937Q898-F900 HydrophobicContact CB-CD2 4.43Å; Q898-F900 HydrophobicContact CB-CE2 3.78Å; F900-F910 HydrophobicContact CB-CB 4.14Å; F900-F910 HydrophobicContact CB-CD1 3.86Å; F900-F910 HydrophobicContact CB-CG 4.39Å; F900-F910 HydrophobicContact CD1-CB 4.24Å; F900-L911 CarbonylContact C-O 3.55Å; F900-L911 VanDerWaalsContact CA-O 3.3Å; F900-L911 WeakPolarHBondContact CA-O 3.41Å; F900-P912 HydrophobicContact CD1-CG 4.43Å; F900-P912 HydrophobicContact CE1-CG 3.95Å; F900-F934 WeakPolarHBondContact O-CA 3.42Å; F900-R935 HydrophobicContact CB-CG 3.79Å; F900-R935 PolarHBondContact N-O 3.03Å; F900-R935 PolarHBondContact O-N 2.99Å; F900-R935 VanDerWaalsContact O-N 3.08Å; F900-I937 HydrophobicContact CD2-CD1 4.03Å; F900-I937 HydrophobicContact CD2-CG1 4.01Å; F900-I937 HydrophobicContact CE2-CB 4.28Å; F900-I937 HydrophobicContact CE2-CD1 3.45Å; F900-I937 VanDerWaalsContact CE2-CD1 3.45Å; F900-I937 HydrophobicContact CE2-CG1 3.78Å; F900-I937 HydrophobicContact CZ-CD1 4.02Å
901M94Very high85.2Confident41 Ų4165.1 Ų65.120%0.20234%0.341CS..EExtended strand (participates in β ladder)trans-124.1145.6175.6-178.7176.165.700110.3L911 A913 V923 L926 Y932 R933 F934M901-L911 PolarHBondContact N-O 2.86Å; M901-L911 PolarHBondContact O-N 3.11Å; M901-A913 HydrophobicContact CB-CB 3.83Å; M901-V923 HydrophobicContact CE-CG1 3.93Å; M901-V923 HydrophobicContact SD-CG1 3.85Å; M901-L926 HydrophobicContact CE-CD2 3.71Å; M901-L926 HydrophobicContact SD-CD2 3.48Å; M901-L926 WeakPolarHBondContact SD-CD2 3.46Å; M901-Y932 HydrophobicContact CE-CD1 4.46Å; M901-Y932 HydrophobicContact CG-CD1 3.91Å; M901-Y932 HydrophobicContact CG-CG 4.42Å; M901-Y932 HydrophobicContact SD-CD1 3.62Å; M901-Y932 HydrophobicContact SD-CE1 4.2Å; M901-Y932 HydrophobicContact SD-CG 4.04Å; M901-R933 CarbonylContact C-O 3.57Å; M901-R933 WeakPolarHBondContact CA-O 3.47Å; M901-F934 HydrophobicContact CB-CD1 3.91Å; M901-F934 HydrophobicContact CB-CE1 3.66Å; M901-F934 HydrophobicContact CG-CD1 4.05Å; M901-F934 HydrophobicContact CG-CE1 3.46Å; M901-F934 VanDerWaalsContact CG-CE1 3.46Å; M901-F934 HydrophobicContact CG-CZ 3.88Å; M901-F934 HydrophobicContact SD-CE1 3.59Å; M901-F934 VanDerWaalsContact SD-CE1 3.59Å; M901-F934 HydrophobicContact SD-CZ 3.71Å
902E92.7Very high85.6Confident23 Ų2361 Ų6111%0.10734%0.337CS..EExtended strand (participates in β ladder)trans-133.5126.1172.9174.4-177.9-153.500109.8G909 F910 R933E902-G909 WeakPolarHBondContact OE1-CA 3.47Å; E902-F910 HydrophobicContact CB-CD1 3.78Å; E902-F910 HydrophobicContact CB-CD2 4.41Å; E902-F910 HydrophobicContact CB-CE1 3.93Å; E902-F910 HydrophobicContact CB-CG 4.04Å; E902-F910 HydrophobicContact CB-CZ 4.31Å; E902-F910 WeakPolarHBondContact OE2-CE2 3.35Å; E902-F910 WeakPolarHBondContact OE2-CZ 3.46Å; E902-R933 HydrophobicContact CB-CB 4.25Å; E902-R933 PolarHBondContact N-O 2.84Å; E902-R933 PolarHBondContact O-N 3.19Å; E902-R933 IonicContact OE1-CZ 3.69Å; E902-R933 IonicContact OE1-NH2 2.7Å; E902-R933 PolarHBondContact OE1-NH2 2.82Å; E902-R933 IonicContact OE2-CZ 3.75Å; E902-R933 IonicContact OE2-NE 3.1Å; E902-R933 PolarHBondContact OE2-NE 3.38Å; E902-R933 IonicContact OE2-NH2 3.73Å; E902-R933 PolarHBondContact OE2-NH2 2.79Å
903D86.8Confident86.2Confident31 Ų3160.1 Ų60.117%0.16633%0.332CS..EExtended strand (participates in β ladder)trans-81.9116.2158.8177.5-22.6000107.5E905 S906 K930 Y932D903-E905 PolarHBondContact O-N 3.02Å; D903-E905 WeakPolarHBondContact OD1-CB 3.39Å; D903-E905 PolarHBondContact OD1-N 2.86Å; D903-S906 WeakPolarHBondContact O-CB 3.31Å; D903-S906 PolarHBondContact O-N 2.92Å; D903-S906 PolarHBondContact O-OG 3.25Å; D903-S906 PolarHBondContact OD1-N 3.13Å; D903-K930 VanDerWaalsContact CG-NZ 3.26Å; D903-K930 WeakPolarHBondContact OD1-CE 3.43Å; D903-K930 IonicContact OD1-NZ 3.75Å; D903-K930 PolarHBondContact OD1-NZ 2.9Å; D903-K930 WeakPolarHBondContact OD2-CE 3.31Å; D903-K930 IonicContact OD2-NZ 3.32Å; D903-K930 PolarHBondContact OD2-NZ 2.68Å; D903-Y932 HydrophobicContact CB-CD1 4.24Å; D903-Y932 HydrophobicContact CB-CE1 3.88Å
904T78.2Confident87Confident67 Ų6753.4 Ų53.441%0.41130%0.297SS..THydrogen-bonded Turntrans-64.5-23.3-173.952.40000114R933T904-R933 HydrophobicContact CG2-CG 3.69Å
905E76.6Confident87.6Confident148 Ų14856.8 Ų56.869%0.69232%0.317SS*.THydrogen-bonded Turntrans-89-24.8179.1-61.6170.5-176.900111.9D903 G907 K930D903-E905 PolarHBondContact O-N 3.02Å; D903-E905 WeakPolarHBondContact OD1-CB 3.39Å; D903-E905 PolarHBondContact OD1-N 2.86Å; E905-G907 VanDerWaalsContact C-N 3.27Å; E905-G907 PolarHBondContact O-N 3.03Å; E905-K930 WeakPolarHBondContact OE2-CE 3.41Å; E905-K930 IonicContact OE2-NZ 2.83Å; E905-K930 PolarHBondContact OE2-NZ 2.9Å
906S76.1Confident87.9Confident43 Ų4354 Ų5430%0.30130%0.303SS..THydrogen-bonded Turntrans-68.1-22-172.674.80000114.6D903 Y908D903-S906 WeakPolarHBondContact O-CB 3.31Å; D903-S906 PolarHBondContact O-N 2.92Å; D903-S906 PolarHBondContact O-OG 3.25Å; D903-S906 PolarHBondContact OD1-N 3.13Å; S906-Y908 WeakPolarHBondContact O-CD2 3.36Å; S906-Y908 PolarHBondContact O-N 2.98Å; S906-Y908 VanDerWaalsContact O-N 3.15Å; S906-Y908 PolarHBondContact OG-N 3.29Å
907G76.8Confident87.9Confident72 Ų7257.3 Ų57.374%0.74232%0.319SS*.SBendtrans71.2-4-178.500000116E905 G909E905-G907 VanDerWaalsContact C-N 3.27Å; E905-G907 PolarHBondContact O-N 3.03Å; G907-G909 VanDerWaalsContact C-N 3.35Å
908Y80.4Confident87.7Confident185 Ų18563.1 Ų63.173%0.72535%0.346SS*.SBendtrans-79.2-14.9-179.3-64.5-66.3000114.3S906S906-Y908 WeakPolarHBondContact O-CD2 3.36Å; S906-Y908 PolarHBondContact O-N 2.98Å; S906-Y908 VanDerWaalsContact O-N 3.15Å; S906-Y908 PolarHBondContact OG-N 3.29Å
909G87.2Confident87.6Confident20 Ų2062.9 Ų62.921%0.20635%0.348CS..  trans75.5-161.1-174.900000113.2E902 G907 L911E902-G909 WeakPolarHBondContact OE1-CA 3.47Å; G907-G909 VanDerWaalsContact C-N 3.35Å; G909-L911 PolarHBondContact O-N 3.23Å
910F91.8Very high87.5Confident44 Ų4465.1 Ų65.119%0.19336%0.364CS..  trans-70.1108.3178.7-79.8-75.4000112.7F900 E902 R933 R935 V950F900-F910 HydrophobicContact CB-CB 4.14Å; F900-F910 HydrophobicContact CB-CD1 3.86Å; F900-F910 HydrophobicContact CB-CG 4.39Å; F900-F910 HydrophobicContact CD1-CB 4.24Å; E902-F910 HydrophobicContact CB-CD1 3.78Å; E902-F910 HydrophobicContact CB-CD2 4.41Å; E902-F910 HydrophobicContact CB-CE1 3.93Å; E902-F910 HydrophobicContact CB-CG 4.04Å; E902-F910 HydrophobicContact CB-CZ 4.31Å; E902-F910 WeakPolarHBondContact OE2-CE2 3.35Å; E902-F910 WeakPolarHBondContact OE2-CZ 3.46Å; F910-R933 HydrophobicContact CE1-CB 4.1Å; F910-R933 HydrophobicContact CZ-CB 3.93Å; F910-R935 HydrophobicContact CD1-CG 3.85Å; F910-R935 HydrophobicContact CE1-CB 4.3Å; F910-R935 HydrophobicContact CE1-CG 3.77Å; F910-R935 HydrophobicContact CG-CG 4.38Å; F910-R935 HydrophobicContact CZ-CG 4.24Å; F910-V950 HydrophobicContact CE2-CG2 3.97Å; F910-V950 HydrophobicContact CZ-CB 4.36Å; F910-V950 HydrophobicContact CZ-CG1 3.76Å; F910-V950 HydrophobicContact CZ-CG2 3.64Å
911L90Very high87.5Confident93 Ų9367.4 Ų67.449%0.48737%0.372SS..EExtended strand (participates in β ladder)trans-96.8152171.1-59.4178.9000110.5F900 M901 G909 A913F900-L911 CarbonylContact C-O 3.55Å; F900-L911 VanDerWaalsContact CA-O 3.3Å; F900-L911 WeakPolarHBondContact CA-O 3.41Å; M901-L911 PolarHBondContact N-O 2.86Å; M901-L911 PolarHBondContact O-N 3.11Å; G909-L911 PolarHBondContact O-N 3.23Å; L911-A913 PolarHBondContact O-N 3.2Å
912P91Very high87.5Confident89 Ų8966.8 Ų66.858%0.57837%0.371SS*.EExtended strand (participates in β ladder)trans-64.9123.5171.7-17.931.4000110.6F900F900-P912 HydrophobicContact CD1-CG 4.43Å; F900-P912 HydrophobicContact CE1-CG 3.95Å
913A88Confident87.5Confident25 Ų2566 Ų6621%0.20737%0.368CS..EExtended strand (participates in β ladder)trans-91.6-41.5172.900000111.4L899 M901 L911 V923L899-A913 HydrophobicContact CD2-CB 4.26Å; L899-A913 HydrophobicContact CG-CB 4.28Å; L899-A913 PolarHBondContact O-N 2.91Å; M901-A913 HydrophobicContact CB-CB 3.83Å; L911-A913 PolarHBondContact O-N 3.2Å; A913-V923 HydrophobicContact CB-CG1 4.4Å; A913-V923 HydrophobicContact CB-CG2 4.27Å
914C90.7Very high87.7Confident12 Ų1270.5 Ų70.58%0.08138%0.383CS..EExtended strand (participates in β ladder)trans-153.5163170.777.10000112.9Q898 L899 Y921Q898-C914 WeakPolarHBondContact CA-O 3.24Å; L899-C914 WeakPolarHBondContact CB-SG 3.48Å; L899-C914 PolarHBondContact N-O 2.82Å; L899-C914 PolarHBondContact O-N 2.92Å; C914-Y921 HydrophobicContact CB-CD1 3.6Å; C914-Y921 HydrophobicContact CB-CD2 3.71Å; C914-Y921 HydrophobicContact CB-CE1 3.52Å; C914-Y921 HydrophobicContact CB-CE2 3.64Å; C914-Y921 HydrophobicContact CB-CG 3.69Å; C914-Y921 VanDerWaalsContact SG-CD1 3.59Å
915T91.4Very high88.2Confident78 Ų7874.6 Ų74.648%0.47940%0.402SS..EExtended strand (participates in β ladder)trans-127.6121.6164.4-60.50000107E896 Y897 Q898E896-T915 HydrophobicContact CG-CG2 3.51Å; E896-T915 VanDerWaalsContact OE1-CG2 3.31Å; E896-T915 WeakPolarHBondContact OE1-CG2 3.43Å; E896-T915 VanDerWaalsContact OE2-CG2 3.27Å; E896-T915 WeakPolarHBondContact OE2-CG2 3.31Å; Y897-T915 WeakPolarHBondContact O-CA 3.38Å; Q898-T915 HydrophobicContact CG-CG2 4.03Å
916T89.4Confident88.9Confident27 Ų2768.3 Ų68.317%0.16637%0.373CS..EExtended strand (participates in β ladder)trans-152.5157.6-174.4-173.60000112.8W889 Y897 E918W889-T916 HydrophobicContact CH2-CG2 4.18Å; W889-T916 HydrophobicContact CZ2-CG2 3.8Å; Y897-T916 PolarHBondContact N-O 2.98Å; Y897-T916 PolarHBondContact O-N 2.99Å; T916-E918 HydrophobicContact CG2-CB 4.41Å; T916-E918 WeakPolarHBondContact OG1-CB 3.42Å; T916-E918 PolarHBondContact OG1-N 2.96Å; T916-E918 VanDerWaalsContact OG1-N 3.08Å
917Q89Confident89.4Confident138 Ų13871.4 Ų71.465%0.64538%0.383SS*.SBendtrans-93.8-6.8169.7-53.9-168.9-28.600112.3D895D895-Q917 WeakPolarHBondContact O-CG 3.49Å
918E89.2Confident89.9Confident124 Ų12472.3 Ų72.358%0.57936%0.364SS*.SBendtrans-77.7156.8176.4-60.8-176.515700111.1W889 T916 S920W889-E918 VanDerWaalsContact CZ2-O 3.32Å; W889-E918 WeakPolarHBondContact CZ2-O 3.41Å; W889-E918 PolarHBondContact NE1-O 2.67Å; T916-E918 HydrophobicContact CG2-CB 4.41Å; T916-E918 WeakPolarHBondContact OG1-CB 3.42Å; T916-E918 PolarHBondContact OG1-N 2.96Å; T916-E918 VanDerWaalsContact OG1-N 3.08Å; E918-S920 VanDerWaalsContact C-N 3.27Å; E918-S920 PolarHBondContact O-N 3.4Å
919C91.7Very high90.1Very high34 Ų3465.5 Ų65.523%0.2334%0.343CS..SBendtrans-94.319.9-179.5-55.20000112.7G888 W889 R891G888-C919 WeakPolarHBondContact CA-O 3.2Å; W889-C919 PolarHBondContact N-O 2.93Å; W889-C919 WeakPolarHBondContact O-CB 3.42Å; R891-C919 VanDerWaalsContact CB-SG 3.6Å
920S92.2Very high90.1Very high47 Ų4765.6 Ų65.633%0.32934%0.338SS..EExtended strand (participates in β ladder)trans-159.3152.3179.454.50000110.4L887 E918L887-S920 CarbonylContact O-C 3.52Å; L887-S920 WeakPolarHBondContact O-CA 3.06Å; L887-S920 VanDerWaalsContact O-CB 3.31Å; L887-S920 WeakPolarHBondContact O-CB 3.4Å; E918-S920 VanDerWaalsContact C-N 3.27Å; E918-S920 PolarHBondContact O-N 3.4Å
921Y93.6Very high90Very high75 Ų7569.3 Ų69.329%0.29436%0.356SS..EExtended strand (participates in β ladder)trans-151142.8171.5-178.7-102.3000111.7L887 L899 C914 V923L887-Y921 PolarHBondContact N-O 3.08Å; L887-Y921 PolarHBondContact O-N 3.46Å; L899-Y921 HydrophobicContact CD2-CD1 4.14Å; C914-Y921 HydrophobicContact CB-CD1 3.6Å; C914-Y921 HydrophobicContact CB-CD2 3.71Å; C914-Y921 HydrophobicContact CB-CE1 3.52Å; C914-Y921 HydrophobicContact CB-CE2 3.64Å; C914-Y921 HydrophobicContact CB-CG 3.69Å; C914-Y921 VanDerWaalsContact SG-CD1 3.59Å; Y921-V923 HydrophobicContact CD1-CG2 3.71Å; Y921-V923 HydrophobicContact CE1-CB 4.3Å; Y921-V923 HydrophobicContact CE1-CG2 3.87Å
922T95.2Very high90.1Very high27 Ų2765.4 Ų65.417%0.16634%0.335CS..EExtended strand (participates in β ladder)trans-96.8112.1172-530000109.7Q884 T886 Y924Q884-T922 HydrophobicContact CB-CG2 3.9Å; Q884-T922 HydrophobicContact CG-CG2 4.29Å; Q884-T922 VanDerWaalsContact NE2-CG2 3.26Å; T886-T922 PolarHBondContact OG1-OG1 2.88Å; T922-Y924 HydrophobicContact CG2-CD1 4.02Å; T922-Y924 HydrophobicContact CG2-CD2 4.33Å; T922-Y924 HydrophobicContact CG2-CE1 3.53Å; T922-Y924 HydrophobicContact CG2-CE2 3.87Å; T922-Y924 HydrophobicContact CG2-CG 4.4Å; T922-Y924 VanDerWaalsContact CG2-CZ 3.44Å; T922-Y924 WeakPolarHBondContact O-CD2 3.46Å; T922-Y924 WeakPolarHBondContact O-CE2 3.28Å
923V93.2Very high90.3Very high7 Ų765.4 Ų65.44%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-83.8126.2171.5-167.20000108.3Q884 L885 L899 M901 A913 Y921 L926 F934Q884-V923 CarbonylContact C-O 3.54Å; Q884-V923 WeakPolarHBondContact CA-O 3.43Å; Q884-V923 WeakPolarHBondContact CB-O 3.36Å; L885-V923 PolarHBondContact N-O 2.93Å; L885-V923 PolarHBondContact O-N 3.01Å; L899-V923 HydrophobicContact CD2-CG2 3.73Å; M901-V923 HydrophobicContact CE-CG1 3.93Å; M901-V923 HydrophobicContact SD-CG1 3.85Å; A913-V923 HydrophobicContact CB-CG1 4.4Å; A913-V923 HydrophobicContact CB-CG2 4.27Å; Y921-V923 HydrophobicContact CD1-CG2 3.71Å; Y921-V923 HydrophobicContact CE1-CB 4.3Å; Y921-V923 HydrophobicContact CE1-CG2 3.87Å; V923-L926 HydrophobicContact CB-CD1 4.38Å; V923-L926 HydrophobicContact CG1-CD1 4.46Å; V923-L926 HydrophobicContact CG1-CD2 3.86Å; V923-L926 HydrophobicContact CG1-CG 4.37Å; V923-F934 HydrophobicContact CG2-CE1 4.11Å
924Y91.1Very high90.7Very high126 Ų12664.2 Ų64.249%0.49431%0.313SS..  trans-110.5169.4-175.8-59-87.5000112.5D883 Q884 T922 L926D883-Y924 CarbonylContact O-C 3.49Å; Q884-Y924 HydrophobicContact CB-CD1 4.07Å; T922-Y924 HydrophobicContact CG2-CD1 4.02Å; T922-Y924 HydrophobicContact CG2-CD2 4.33Å; T922-Y924 HydrophobicContact CG2-CE1 3.53Å; T922-Y924 HydrophobicContact CG2-CE2 3.87Å; T922-Y924 HydrophobicContact CG2-CG 4.4Å; T922-Y924 VanDerWaalsContact CG2-CZ 3.44Å; T922-Y924 WeakPolarHBondContact O-CD2 3.46Å; T922-Y924 WeakPolarHBondContact O-CE2 3.28Å; Y924-L926 VanDerWaalsContact C-N 3.29Å; Y924-L926 PolarHBondContact O-N 3.39Å
925N88.7Confident90.9Very high152 Ų15266.7 Ų66.781%0.81332%0.321SS*.SBendtrans61.532177.8-50.3-65.6000114.2D883D883-N925 PolarHBondContact O-N 2.67Å
926L91Very high91Very high16 Ų1663 Ų638%0.08430%0.299CS..PPolyproline II helixtrans-77.8156175.6-57.8-177.7000111.4D883 L885 M901 V923 Y924 Y932 T955D883-L926 PolarHBondContact O-N 3.05Å; L885-L926 HydrophobicContact CB-CD1 3.89Å; L885-L926 HydrophobicContact CD1-CD1 3.81Å; L885-L926 HydrophobicContact CG-CD1 3.61Å; M901-L926 HydrophobicContact CE-CD2 3.71Å; M901-L926 HydrophobicContact SD-CD2 3.48Å; M901-L926 WeakPolarHBondContact SD-CD2 3.46Å; V923-L926 HydrophobicContact CB-CD1 4.38Å; V923-L926 HydrophobicContact CG1-CD1 4.46Å; V923-L926 HydrophobicContact CG1-CD2 3.86Å; V923-L926 HydrophobicContact CG1-CG 4.37Å; Y924-L926 VanDerWaalsContact C-N 3.29Å; Y924-L926 PolarHBondContact O-N 3.39Å; L926-Y932 HydrophobicContact CB-CE2 3.82Å; L926-Y932 HydrophobicContact CD1-CD2 4.32Å; L926-Y932 HydrophobicContact CD1-CE2 4.42Å; L926-Y932 HydrophobicContact CD2-CD1 4.41Å; L926-Y932 HydrophobicContact CD2-CD2 4.38Å; L926-Y932 HydrophobicContact CD2-CE1 4.11Å; L926-Y932 HydrophobicContact CD2-CE2 4.08Å; L926-Y932 HydrophobicContact CG-CE2 4.33Å; L926-T955 HydrophobicContact CB-CG2 3.63Å; L926-T955 HydrophobicContact CD1-CG2 3.77Å; L926-T955 HydrophobicContact CG-CG2 4.37Å
927Q85.5Confident91.2Very high109 Ų10962.5 Ų62.551%0.50929%0.294SS..PPolyproline II helixtrans-79.5132.2169-63-177.4-30.900109.1K930 Y932 T955Q927-K930 HydrophobicContact CB-CB 4.07Å; Q927-K930 HydrophobicContact CB-CD 3.94Å; Q927-K930 WeakPolarHBondContact O-CB 3.35Å; Q927-Y932 WeakPolarHBondContact CB-OH 3.41Å; Q927-Y932 PolarHBondContact N-OH 2.87Å; Q927-T955 WeakPolarHBondContact O-CB 3.41Å; Q927-T955 PolarHBondContact O-OG1 3.21Å
928R86.9Confident91.2Very high90 Ų9055.9 Ų55.934%0.3426%0.264SS..THydrogen-bonded Turntrans-63149.6176.563.1-171.2170.3-170.3-11.8113.3A882 K930 T955 T958 D986 G988A882-R928 HydrophobicContact CB-CB 3.91Å; A882-R928 WeakPolarHBondContact O-CA 3.48Å; A882-R928 WeakPolarHBondContact O-CB 3.38Å; A882-R928 PolarHBondContact O-N 2.94Å; R928-K930 PolarHBondContact O-N 2.68Å; R928-T955 VanDerWaalsContact C-OG1 3.25Å; R928-T955 WeakPolarHBondContact CA-OG1 3.47Å; R928-T958 PolarHBondContact NH1-OG1 2.78Å; R928-D986 VanDerWaalsContact CZ-CG 3.48Å; R928-D986 IonicContact CZ-OD1 3.19Å; R928-D986 IonicContact CZ-OD2 2.71Å; R928-D986 IonicContact NE-OD1 2.72Å; R928-D986 IonicContact NH1-OD1 3.65Å; R928-D986 PolarHBondContact NH1-OD1 2.89Å; R928-D986 IonicContact NH1-OD2 3.51Å; R928-D986 PolarHBondContact NH1-OD2 3.15Å; R928-D986 IonicContact NH2-OD1 2.99Å; R928-D986 PolarHBondContact NH2-OD1 2.95Å; R928-D986 IonicContact NH2-OD2 3.81Å; R928-D986 PolarHBondContact NH2-OD2 2.97Å; R928-G988 WeakPolarHBondContact CD-O 3.3Å
929C85.4Confident91.1Very high42 Ų4250.6 Ų50.628%0.28424%0.24SC..THydrogen-bonded Turntrans51.221.4-175.4-151.40000114.9C954 T955 L956 P957 G989C929-C954 PolarHBondContact O-SG 3.08Å; C929-T955 WeakPolarHBondContact CA-O 3.42Å; C929-T955 PolarHBondContact N-O 3.46Å; C929-T955 PolarHBondContact N-OG1 3.19Å; C929-L956 PolarHBondContact N-O 2.81Å; C929-P957 HydrophobicContact CB-CB 4.15Å; C929-G989 VanDerWaalsContact CB-C 3.49Å; C929-G989 WeakPolarHBondContact CB-O 3.39Å
930K86.7Confident90.6Very high22 Ų2250.4 Ų50.410%0.09624%0.237CC..  trans-105.7138.9-177-165.3169.2-163.4177.20111.6D903 E905 Q927 R928 Y932 C954 T955D903-K930 VanDerWaalsContact CG-NZ 3.26Å; D903-K930 WeakPolarHBondContact OD1-CE 3.43Å; D903-K930 IonicContact OD1-NZ 3.75Å; D903-K930 PolarHBondContact OD1-NZ 2.9Å; D903-K930 WeakPolarHBondContact OD2-CE 3.31Å; D903-K930 IonicContact OD2-NZ 3.32Å; D903-K930 PolarHBondContact OD2-NZ 2.68Å; E905-K930 WeakPolarHBondContact OE2-CE 3.41Å; E905-K930 IonicContact OE2-NZ 2.83Å; E905-K930 PolarHBondContact OE2-NZ 2.9Å; Q927-K930 HydrophobicContact CB-CB 4.07Å; Q927-K930 HydrophobicContact CB-CD 3.94Å; Q927-K930 WeakPolarHBondContact O-CB 3.35Å; R928-K930 PolarHBondContact O-N 2.68Å; K930-Y932 HydrophobicContact CB-CE2 3.87Å; K930-Y932 HydrophobicContact CD-CE2 4.47Å; K930-Y932 HydrophobicContact CG-CE2 4.23Å; K930-Y932 WeakPolarHBondContact O-CD2 3.46Å; K930-C954 WeakPolarHBondContact O-CA 3.41Å; K930-T955 PolarHBondContact N-OG1 3.39Å; K930-T955 PolarHBondContact O-N 3.03Å; K930-T955 VanDerWaalsContact O-N 3.13Å; K930-T955 PolarHBondContact O-OG1 3.13Å
931Q89.9Confident89.9Confident122 Ų12254.5 Ų54.557%0.5725%0.251SS*.EExtended strand (participates in β ladder)trans-81.8120.1175.2-67.1-172.613.700110.9T952 F953 C954Q931-T952 HydrophobicContact CB-CG2 3.8Å; Q931-T952 HydrophobicContact CG-CG2 4.28Å; Q931-F953 WeakPolarHBondContact CA-O 3.26Å; Q931-C954 HydrophobicContact CG-CB 4.31Å
932Y93Very high88.9Confident12 Ų1253.1 Ų53.15%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-110.1133.2172.8-71.3-82.9000109.6M901 D903 L926 Q927 K930 F934 T952 F953 T955M901-Y932 HydrophobicContact CE-CD1 4.46Å; M901-Y932 HydrophobicContact CG-CD1 3.91Å; M901-Y932 HydrophobicContact CG-CG 4.42Å; M901-Y932 HydrophobicContact SD-CD1 3.62Å; M901-Y932 HydrophobicContact SD-CE1 4.2Å; M901-Y932 HydrophobicContact SD-CG 4.04Å; D903-Y932 HydrophobicContact CB-CD1 4.24Å; D903-Y932 HydrophobicContact CB-CE1 3.88Å; L926-Y932 HydrophobicContact CB-CE2 3.82Å; L926-Y932 HydrophobicContact CD1-CD2 4.32Å; L926-Y932 HydrophobicContact CD1-CE2 4.42Å; L926-Y932 HydrophobicContact CD2-CD1 4.41Å; L926-Y932 HydrophobicContact CD2-CD2 4.38Å; L926-Y932 HydrophobicContact CD2-CE1 4.11Å; L926-Y932 HydrophobicContact CD2-CE2 4.08Å; L926-Y932 HydrophobicContact CG-CE2 4.33Å; Q927-Y932 WeakPolarHBondContact CB-OH 3.41Å; Q927-Y932 PolarHBondContact N-OH 2.87Å; K930-Y932 HydrophobicContact CB-CE2 3.87Å; K930-Y932 HydrophobicContact CD-CE2 4.47Å; K930-Y932 HydrophobicContact CG-CE2 4.23Å; K930-Y932 WeakPolarHBondContact O-CD2 3.46Å; Y932-F934 VanDerWaalsContact CB-CE2 3.44Å; Y932-F934 HydrophobicContact CG-CZ 4.47Å; Y932-F934 WeakPolarHBondContact O-CD2 3.43Å; Y932-F934 WeakPolarHBondContact O-CE2 3.5Å; Y932-T952 WeakPolarHBondContact O-CA 3.44Å; Y932-F953 PolarHBondContact N-O 3.27Å; Y932-F953 PolarHBondContact O-N 3.31Å; Y932-T955 HydrophobicContact CD2-CG2 4.37Å; Y932-T955 HydrophobicContact CE2-CG2 4.25Å
933R94.7Very high87.9Confident89 Ų8953.2 Ų53.234%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-88.8135.3173-59.3-160.4-65.2-141.30.9109.4M901 E902 T904 F910 V950 I951 T952M901-R933 CarbonylContact C-O 3.57Å; M901-R933 WeakPolarHBondContact CA-O 3.47Å; E902-R933 HydrophobicContact CB-CB 4.25Å; E902-R933 PolarHBondContact N-O 2.84Å; E902-R933 PolarHBondContact O-N 3.19Å; E902-R933 IonicContact OE1-CZ 3.69Å; E902-R933 IonicContact OE1-NH2 2.7Å; E902-R933 PolarHBondContact OE1-NH2 2.82Å; E902-R933 IonicContact OE2-CZ 3.75Å; E902-R933 IonicContact OE2-NE 3.1Å; E902-R933 PolarHBondContact OE2-NE 3.38Å; E902-R933 IonicContact OE2-NH2 3.73Å; E902-R933 PolarHBondContact OE2-NH2 2.79Å; T904-R933 HydrophobicContact CG2-CG 3.69Å; F910-R933 HydrophobicContact CE1-CB 4.1Å; F910-R933 HydrophobicContact CZ-CB 3.93Å; R933-V950 HydrophobicContact CB-CG1 3.83Å; R933-V950 HydrophobicContact CG-CG1 4.26Å; R933-I951 CarbonylContact C-O 3.47Å; R933-I951 WeakPolarHBondContact CA-O 3.31Å; R933-T952 HydrophobicContact CG-CG2 4.44Å
934F95.5Very high87.5Confident0 Ų058.2 Ų58.20%028%0.277CS..EExtended strand (participates in β ladder)trans-125.3147.5179.9-64.3-82.3000111.2P875 L885 L887 L899 F900 M901 V923 Y932 V950 I951 F953P875-F934 HydrophobicContact CG-CB 4.26Å; L885-F934 HydrophobicContact CD1-CE2 3.65Å; L885-F934 HydrophobicContact CD1-CZ 3.8Å; L887-F934 HydrophobicContact CD1-CB 4.16Å; L887-F934 HydrophobicContact CD1-CD1 3.58Å; L887-F934 HydrophobicContact CD1-CD2 3.96Å; L887-F934 HydrophobicContact CD1-CE1 3.88Å; L887-F934 HydrophobicContact CD1-CE2 4.23Å; L887-F934 HydrophobicContact CD1-CG 3.61Å; L887-F934 HydrophobicContact CD1-CZ 4.2Å; L899-F934 HydrophobicContact CD1-CB 4.47Å; L899-F934 HydrophobicContact CD1-CD1 4.19Å; L899-F934 HydrophobicContact CD2-CD1 4.43Å; L899-F934 HydrophobicContact CG-CD1 4.38Å; F900-F934 WeakPolarHBondContact O-CA 3.42Å; M901-F934 HydrophobicContact CB-CD1 3.91Å; M901-F934 HydrophobicContact CB-CE1 3.66Å; M901-F934 HydrophobicContact CG-CD1 4.05Å; M901-F934 HydrophobicContact CG-CE1 3.46Å; M901-F934 VanDerWaalsContact CG-CE1 3.46Å; M901-F934 HydrophobicContact CG-CZ 3.88Å; M901-F934 HydrophobicContact SD-CE1 3.59Å; M901-F934 VanDerWaalsContact SD-CE1 3.59Å; M901-F934 HydrophobicContact SD-CZ 3.71Å; V923-F934 HydrophobicContact CG2-CE1 4.11Å; Y932-F934 VanDerWaalsContact CB-CE2 3.44Å; Y932-F934 HydrophobicContact CG-CZ 4.47Å; Y932-F934 WeakPolarHBondContact O-CD2 3.43Å; Y932-F934 WeakPolarHBondContact O-CE2 3.5Å; F934-V950 WeakPolarHBondContact O-CA 3.45Å; F934-I951 HydrophobicContact CB-CG2 4.08Å; F934-I951 PolarHBondContact N-O 3.36Å; F934-I951 PolarHBondContact O-N 2.9Å; F934-F953 HydrophobicContact CD2-CB 4.36Å; F934-F953 AromaticContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CG 4.49Å; F934-F953 HydrophobicContact CE2-CB 4.16Å; F934-F953 HydrophobicContact CE2-CD2 4.14Å
935R94.6Very high87.3Confident64 Ų6452.5 Ų52.524%0.24226%0.257CS..EExtended strand (participates in β ladder)trans-149.1148.9167.167-174.6-170.2-1790.1109.6F900 F910 P947 S948 V950F900-R935 HydrophobicContact CB-CG 3.79Å; F900-R935 PolarHBondContact N-O 3.03Å; F900-R935 PolarHBondContact O-N 2.99Å; F900-R935 VanDerWaalsContact O-N 3.08Å; F910-R935 HydrophobicContact CD1-CG 3.85Å; F910-R935 HydrophobicContact CE1-CB 4.3Å; F910-R935 HydrophobicContact CE1-CG 3.77Å; F910-R935 HydrophobicContact CG-CG 4.38Å; F910-R935 HydrophobicContact CZ-CG 4.24Å; R935-P947 HydrophobicContact CG-CB 4.32Å; R935-S948 VanDerWaalsContact CA-OG 3.32Å; R935-S948 WeakPolarHBondContact CA-OG 3.47Å; R935-V950 HydrophobicContact CB-CG2 4.43Å
936L94.5Very high87.3Confident1 Ų148.9 Ų48.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-107.7137-179.8-163.670.2000110.2P872 W889 Y897 L899 P947 S948P872-L936 HydrophobicContact CB-CD2 4.17Å; P872-L936 HydrophobicContact CG-CB 4.14Å; P872-L936 HydrophobicContact CG-CD2 4.36Å; P872-L936 HydrophobicContact CG-CG 4.4Å; P872-L936 WeakPolarHBondContact CG-O 3.37Å; W889-L936 HydrophobicContact CB-CD2 3.59Å; W889-L936 HydrophobicContact CD2-CD1 3.91Å; W889-L936 HydrophobicContact CD2-CD2 3.77Å; W889-L936 HydrophobicContact CE3-CD1 4.07Å; W889-L936 HydrophobicContact CE3-CD2 4.44Å; W889-L936 HydrophobicContact CG-CD1 4.42Å; W889-L936 HydrophobicContact CG-CD2 3.37Å; W889-L936 HydrophobicContact CH2-CD1 4.32Å; W889-L936 HydrophobicContact CZ2-CD1 4.18Å; W889-L936 HydrophobicContact CZ3-CD1 4.27Å; Y897-L936 HydrophobicContact CD1-CD2 3.89Å; Y897-L936 HydrophobicContact CD1-CG 4.33Å; L899-L936 HydrophobicContact CB-CD1 4.24Å; L899-L936 HydrophobicContact CD1-CD1 4.16Å; L936-P947 CarbonylContact O-C 3.48Å; L936-P947 WeakPolarHBondContact O-CA 3.47Å; L936-S948 PolarHBondContact N-OG 2.86Å; L936-S948 PolarHBondContact O-N 3.35Å
937I92.9Very high87.3Confident15 Ų1550.3 Ų50.38%0.07725%0.251CS..EExtended strand (participates in β ladder)trans-110.8125.8164.3-57.9-173.4000107.5Y897 Q898 F900 Q944 P947Y897-I937 WeakPolarHBondContact CA-O 3.42Å; Q898-I937 HydrophobicContact CB-CB 4.37Å; Q898-I937 PolarHBondContact N-O 2.88Å; Q898-I937 PolarHBondContact O-N 3.5Å; F900-I937 HydrophobicContact CD2-CD1 4.03Å; F900-I937 HydrophobicContact CD2-CG1 4.01Å; F900-I937 HydrophobicContact CE2-CB 4.28Å; F900-I937 HydrophobicContact CE2-CD1 3.45Å; F900-I937 VanDerWaalsContact CE2-CD1 3.45Å; F900-I937 HydrophobicContact CE2-CG1 3.78Å; F900-I937 HydrophobicContact CZ-CD1 4.02Å; I937-Q944 HydrophobicContact CG2-CB 3.94Å; I937-Q944 HydrophobicContact CG2-CG 4.05Å; I937-P947 HydrophobicContact CD1-CB 4.41Å; I937-P947 HydrophobicContact CD1-CG 3.92Å; I937-P947 HydrophobicContact CG1-CB 3.94Å; I937-P947 HydrophobicContact CG1-CG 3.96Å
938A90.4Very high87.7Confident0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-96.6136.8172.300000109.5P869 P872 A894 Y897 A945P869-A938 HydrophobicContact CB-CB 3.94Å; P869-A938 HydrophobicContact CG-CB 4.23Å; P872-A938 HydrophobicContact CB-CB 4.27Å; P872-A938 HydrophobicContact CG-CB 4.07Å; A894-A938 HydrophobicContact CB-CB 3.82Å; Y897-A938 HydrophobicContact CD1-CB 4.12Å; Y897-A938 HydrophobicContact CE1-CB 4.03Å; A938-A945 HydrophobicContact CB-CB 4.25Å; A938-A945 WeakPolarHBondContact O-CB 3.26Å; A938-A945 PolarHBondContact O-N 2.86Å
939S87.3Confident87.9Confident12 Ų1246.2 Ų46.28%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-132.5139.1-177.7-10.10000110.6A894 D895 E896 G943A894-S939 CarbonylContact C-O 3.6Å; A894-S939 WeakPolarHBondContact CB-O 3.27Å; D895-S939 PolarHBondContact N-O 2.66Å; E896-S939 PolarHBondContact N-O 2.87Å; E896-S939 PolarHBondContact O-N 2.92Å; E896-S939 PolarHBondContact O-OG 2.95Å; E896-S939 VanDerWaalsContact O-OG 3.04Å; S939-G943 WeakPolarHBondContact CA-O 3.26Å
940N81.2Confident88.3Confident30 Ų3047.8 Ų47.816%0.1625%0.248CC..EExtended strand (participates in β ladder)trans-124.9178.6161.161.821.8000110.1A867 P869 D893 D895 D942 G943A867-N940 PolarHBondContact O-ND2 3.41Å; P869-N940 HydrophobicContact CG-CB 4.25Å; D893-N940 PolarHBondContact O-ND2 2.89Å; D895-N940 WeakPolarHBondContact OD2-CA 2.99Å; D895-N940 VanDerWaalsContact OD2-CB 3.23Å; D895-N940 WeakPolarHBondContact OD2-CB 3.43Å; N940-D942 PolarHBondContact O-N 3.02Å; N940-D942 WeakPolarHBondContact OD1-CA 3.41Å; N940-D942 WeakPolarHBondContact OD1-CB 3.33Å; N940-D942 PolarHBondContact OD1-N 2.91Å; N940-G943 PolarHBondContact N-O 3.48Å; N940-G943 VanDerWaalsContact N-O 3.08Å; N940-G943 PolarHBondContact O-N 2.84Å; N940-G943 VanDerWaalsContact O-N 3.09Å; N940-G943 PolarHBondContact OD1-N 2.9Å
941E76.7Confident88.6Confident133 Ų13349 Ų4962%0.62126%0.256SS*.THydrogen-bonded Turntrans-54.3-13.5176.4-67-166.189.900114.9R784 D895R784-E941 VanDerWaalsContact CZ-CD 3.44Å; R784-E941 IonicContact CZ-OE1 2.73Å; R784-E941 IonicContact CZ-OE2 2.74Å; R784-E941 IonicContact NH1-OE1 2.66Å; R784-E941 IonicContact NH1-OE2 2.7Å; R784-E941 PolarHBondContact NH1-OE2 3.44Å; R784-E941 IonicContact NH2-OE1 3.52Å; R784-E941 PolarHBondContact NH2-OE1 2.81Å; R784-E941 IonicContact NH2-OE2 3.43Å; R784-E941 PolarHBondContact NH2-OE2 2.78Å; D895-E941 PolarHBondContact OD2-N 2.68Å
942D72Confident88.8Confident47 Ų4746.2 Ų46.225%0.25125%0.247SC..THydrogen-bonded Turntrans-105.2-8-177.6-66.1-54.9000114.7S865 G866 N940S865-D942 VanDerWaalsContact CA-CG 3.46Å; S865-D942 WeakPolarHBondContact CA-OD1 3.31Å; S865-D942 WeakPolarHBondContact CA-OD2 3.36Å; S865-D942 WeakPolarHBondContact CB-OD1 3.36Å; S865-D942 WeakPolarHBondContact OG-CB 3.37Å; S865-D942 PolarHBondContact OG-OD1 3.46Å; G866-D942 PolarHBondContact N-OD2 3.45Å; N940-D942 PolarHBondContact O-N 3.02Å; N940-D942 WeakPolarHBondContact OD1-CA 3.41Å; N940-D942 WeakPolarHBondContact OD1-CB 3.33Å; N940-D942 PolarHBondContact OD1-N 2.91Å
943G75.4Confident88.8Confident28 Ų2847 Ų4729%0.28925%0.251SS..EExtended strand (participates in β ladder)trans151.7177.7167.100000115P869 S939 N940P869-G943 VanDerWaalsContact CD-O 3.25Å; P869-G943 WeakPolarHBondContact CD-O 3.38Å; S939-G943 WeakPolarHBondContact CA-O 3.26Å; N940-G943 PolarHBondContact N-O 3.48Å; N940-G943 VanDerWaalsContact N-O 3.08Å; N940-G943 PolarHBondContact O-N 2.84Å; N940-G943 VanDerWaalsContact O-N 3.09Å; N940-G943 PolarHBondContact OD1-N 2.9Å
944Q83.8Confident88.6Confident112 Ų11245.3 Ų45.352%0.52325%0.252SS..EExtended strand (participates in β ladder)trans-90138.8170.6-74178.6-31.700110.8I937I937-Q944 HydrophobicContact CG2-CB 3.94Å; I937-Q944 HydrophobicContact CG2-CG 4.05Å
945A86.8Confident88.3Confident7 Ų745.4 Ų45.46%0.05825%0.252CS..PPolyproline II helixtrans-64.7160.2165.700000111.4P869 C870 A938P869-A945 HydrophobicContact CB-CB 4.22Å; P869-A945 WeakPolarHBondContact O-CA 3.25Å; P869-A945 WeakPolarHBondContact O-CB 3.33Å; C870-A945 WeakPolarHBondContact O-CB 3.24Å; A938-A945 HydrophobicContact CB-CB 4.25Å; A938-A945 WeakPolarHBondContact O-CB 3.26Å; A938-A945 PolarHBondContact O-N 2.86Å
946P88.6Confident88.1Confident76 Ų7646.5 Ų46.549%0.49426%0.262SS..PPolyproline II helixtrans-54.5145.2155.6-18.231.8000109.8Q871 P872Q871-P946 HydrophobicContact CB-CB 4.24Å; Q871-P946 HydrophobicContact CB-CG 4.4Å; Q871-P946 HydrophobicContact CG-CB 4.23Å; P872-P946 WeakPolarHBondContact CD-O 3.19Å
947P90.8Very high87.7Confident45 Ų4547.8 Ų47.829%0.29227%0.27SS..PPolyproline II helixtrans-59.8147.4174.3-18.429.7000111.6Q871 R935 L936 I937Q871-P947 VanDerWaalsContact CG-O 3.3Å; Q871-P947 WeakPolarHBondContact CG-O 3.24Å; Q871-P947 PolarHBondContact NE2-O 2.84Å; R935-P947 HydrophobicContact CG-CB 4.32Å; L936-P947 CarbonylContact O-C 3.48Å; L936-P947 WeakPolarHBondContact O-CA 3.47Å; I937-P947 HydrophobicContact CD1-CB 4.41Å; I937-P947 HydrophobicContact CD1-CG 3.92Å; I937-P947 HydrophobicContact CG1-CB 3.94Å; I937-P947 HydrophobicContact CG1-CG 3.96Å
948S94Very high87.5Confident4 Ų449.2 Ų49.23%0.02828%0.28CS..PPolyproline II helixtrans-51.9158.5168.876.80000111.1P872 R935 L936P872-S948 WeakPolarHBondContact O-CA 3.38Å; P872-S948 WeakPolarHBondContact O-CB 3.3Å; R935-S948 VanDerWaalsContact CA-OG 3.32Å; R935-S948 WeakPolarHBondContact CA-OG 3.47Å; L936-S948 PolarHBondContact N-OG 2.86Å; L936-S948 PolarHBondContact O-N 3.35Å
949D91.9Very high87.3Confident109 Ų10951 Ų5158%0.58330%0.295SS*.PPolyproline II helixtrans-56.2149.1164.5-67.3-18000109.8Q871 P874 I951Q871-D949 PolarHBondContact NE2-OD1 2.95Å; Q871-D949 VanDerWaalsContact NE2-OD1 3.07Å; P874-D949 HydrophobicContact CG-CB 4.01Å; D949-I951 PolarHBondContact O-N 2.95Å
950V93.5Very high87.5Confident75 Ų7550.6 Ų50.646%0.45529%0.292SS..PPolyproline II helixtrans-79.3118.1-1741740000109.6F910 R933 F934 R935F910-V950 HydrophobicContact CE2-CG2 3.97Å; F910-V950 HydrophobicContact CZ-CB 4.36Å; F910-V950 HydrophobicContact CZ-CG1 3.76Å; F910-V950 HydrophobicContact CZ-CG2 3.64Å; R933-V950 HydrophobicContact CB-CG1 3.83Å; R933-V950 HydrophobicContact CG-CG1 4.26Å; F934-V950 WeakPolarHBondContact O-CA 3.45Å; R935-V950 HydrophobicContact CB-CG2 4.43Å
951I93.6Very high88Confident49 Ų4950.9 Ų50.925%0.25130%0.296SS..EExtended strand (participates in β ladder)trans-103.6150.6172.7-166.8155.3000109.9P874 P875 R933 F934 D949 F953P874-I951 HydrophobicContact CB-CB 3.97Å; P874-I951 HydrophobicContact CB-CD1 4.23Å; P874-I951 HydrophobicContact CB-CG2 4.06Å; P875-I951 HydrophobicContact CG-CG2 4.09Å; R933-I951 CarbonylContact C-O 3.47Å; R933-I951 WeakPolarHBondContact CA-O 3.31Å; F934-I951 HydrophobicContact CB-CG2 4.08Å; F934-I951 PolarHBondContact N-O 3.36Å; F934-I951 PolarHBondContact O-N 2.9Å; D949-I951 PolarHBondContact O-N 2.95Å; I951-F953 HydrophobicContact CD1-CE1 3.87Å; I951-F953 HydrophobicContact CD1-CE2 4.27Å; I951-F953 HydrophobicContact CD1-CZ 3.45Å; I951-F953 VanDerWaalsContact CD1-CZ 3.45Å; I951-F953 HydrophobicContact CG1-CE1 3.95Å; I951-F953 HydrophobicContact CG1-CE2 4.14Å; I951-F953 HydrophobicContact CG1-CZ 3.67Å; I951-F953 HydrophobicContact CG2-CD2 4.41Å; I951-F953 HydrophobicContact CG2-CE2 3.73Å; I951-F953 HydrophobicContact CG2-CZ 4.06Å
952T93.5Very high88.8Confident63 Ų6347.2 Ų47.239%0.38729%0.285SS..EExtended strand (participates in β ladder)trans-120.2127.6179.6-54.20000109.2Q931 Y932 R933Q931-T952 HydrophobicContact CB-CG2 3.8Å; Q931-T952 HydrophobicContact CG-CG2 4.28Å; Y932-T952 WeakPolarHBondContact O-CA 3.44Å; R933-T952 HydrophobicContact CG-CG2 4.44Å
953F93.1Very high89.8Confident29 Ų2945.1 Ų45.113%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-120.9144.3173.4-62.9-56000110.2P875 L877 L885 L887 Q931 Y932 F934 I951P875-F953 WeakPolarHBondContact O-CE2 3.15Å; P875-F953 WeakPolarHBondContact O-CZ 3.45Å; L877-F953 HydrophobicContact CB-CD1 3.94Å; L877-F953 HydrophobicContact CB-CE1 3.72Å; L877-F953 HydrophobicContact CB-CE2 4.38Å; L877-F953 HydrophobicContact CB-CG 4.37Å; L877-F953 HydrophobicContact CB-CZ 3.95Å; L877-F953 HydrophobicContact CD2-CD1 4.2Å; L885-F953 HydrophobicContact CD1-CB 3.91Å; L887-F953 HydrophobicContact CD1-CD2 4.23Å; L887-F953 HydrophobicContact CD1-CE2 4.31Å; L887-F953 HydrophobicContact CD2-CD2 3.52Å; L887-F953 HydrophobicContact CD2-CE2 3.65Å; L887-F953 HydrophobicContact CD2-CG 4.42Å; Q931-F953 WeakPolarHBondContact CA-O 3.26Å; Y932-F953 PolarHBondContact N-O 3.27Å; Y932-F953 PolarHBondContact O-N 3.31Å; F934-F953 HydrophobicContact CD2-CB 4.36Å; F934-F953 AromaticContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CG 4.49Å; F934-F953 HydrophobicContact CE2-CB 4.16Å; F934-F953 HydrophobicContact CE2-CD2 4.14Å; I951-F953 HydrophobicContact CD1-CE1 3.87Å; I951-F953 HydrophobicContact CD1-CE2 4.27Å; I951-F953 HydrophobicContact CD1-CZ 3.45Å; I951-F953 VanDerWaalsContact CD1-CZ 3.45Å; I951-F953 HydrophobicContact CG1-CE1 3.95Å; I951-F953 HydrophobicContact CG1-CE2 4.14Å; I951-F953 HydrophobicContact CG1-CZ 3.67Å; I951-F953 HydrophobicContact CG2-CD2 4.41Å; I951-F953 HydrophobicContact CG2-CE2 3.73Å; I951-F953 HydrophobicContact CG2-CZ 4.06Å
954C90.3Very high90.5Very high53 Ų5345 Ų4536%0.35827%0.272SS..EExtended strand (participates in β ladder)trans-99.9134.3173-161.50000109.1C929 K930 Q931C929-C954 PolarHBondContact O-SG 3.08Å; K930-C954 WeakPolarHBondContact O-CA 3.41Å; Q931-C954 HydrophobicContact CG-CB 4.31Å
955T90.4Very high91Very high1 Ų143 Ų431%0.00627%0.268CS..PPolyproline II helixtrans-61.7151.4160.745.10000109.8K881 A882 L885 L926 Q927 R928 C929 K930 Y932K881-T955 WeakPolarHBondContact O-CA 3.44Å; A882-T955 WeakPolarHBondContact O-CB 3.41Å; L885-T955 HydrophobicContact CD1-CG2 4.22Å; L885-T955 HydrophobicContact CD2-CG2 4.29Å; L885-T955 HydrophobicContact CG-CG2 3.97Å; L926-T955 HydrophobicContact CB-CG2 3.63Å; L926-T955 HydrophobicContact CD1-CG2 3.77Å; L926-T955 HydrophobicContact CG-CG2 4.37Å; Q927-T955 WeakPolarHBondContact O-CB 3.41Å; Q927-T955 PolarHBondContact O-OG1 3.21Å; R928-T955 VanDerWaalsContact C-OG1 3.25Å; R928-T955 WeakPolarHBondContact CA-OG1 3.47Å; C929-T955 WeakPolarHBondContact CA-O 3.42Å; C929-T955 PolarHBondContact N-O 3.46Å; C929-T955 PolarHBondContact N-OG1 3.19Å; K930-T955 PolarHBondContact N-OG1 3.39Å; K930-T955 PolarHBondContact O-N 3.03Å; K930-T955 VanDerWaalsContact O-N 3.13Å; K930-T955 PolarHBondContact O-OG1 3.13Å; Y932-T955 HydrophobicContact CD2-CG2 4.37Å; Y932-T955 HydrophobicContact CE2-CG2 4.25Å
956L89.2Confident91.3Very high88 Ų8842.9 Ų42.946%0.46127%0.266SS..PPolyproline II helixtrans-67.1147.3174.4-61-173.7000110.4A880 K881 A882 C929A880-L956 HydrophobicContact CB-CD1 4.49Å; A880-L956 HydrophobicContact CB-CD2 4.04Å; A880-L956 HydrophobicContact CB-CG 3.85Å; A880-L956 VanDerWaalsContact O-CD1 3.23Å; A880-L956 WeakPolarHBondContact O-CD1 3.41Å; K881-L956 PolarHBondContact O-N 3.05Å; A882-L956 WeakPolarHBondContact CA-O 3.03Å; A882-L956 WeakPolarHBondContact CB-O 3.5Å; C929-L956 PolarHBondContact N-O 2.81Å
957P87.2Confident91.5Very high27 Ų2742 Ų4218%0.17527%0.265CS..PPolyproline II helixtrans-64.1148.7160.526.2-32000110.5C929 G988 A1040 G1041C929-P957 HydrophobicContact CB-CB 4.15Å; P957-G988 CarbonylContact C-O 3.57Å; P957-G988 VanDerWaalsContact CA-O 3.27Å; P957-G988 WeakPolarHBondContact CA-O 3.26Å; P957-A1040 HydrophobicContact CG-CB 3.77Å; P957-G1041 WeakPolarHBondContact O-CA 3.42Å
958T87.6Confident91.5Very high46 Ų4642.2 Ų42.228%0.28227%0.266SS..PPolyproline II helixtrans-81.8165.1163.263.30000109.8A882 R928 G988 G1041A882-T958 HydrophobicContact CB-CG2 3.38Å; R928-T958 PolarHBondContact NH1-OG1 2.78Å; T958-G988 PolarHBondContact N-O 2.89Å; T958-G988 WeakPolarHBondContact O-CA 3.04Å; T958-G988 VanDerWaalsContact OG1-CA 3.25Å; T958-G988 WeakPolarHBondContact OG1-CA 3.07Å; T958-G1041 WeakPolarHBondContact O-CA 3.38Å
959A87.6Confident91.3Very high38 Ų3847.4 Ų47.431%0.31429%0.289SS..PPolyproline II helixtrans-54.1142158.500000109.3G1041A959-G1041 PolarHBondContact N-O 3.48Å; A959-G1041 VanDerWaalsContact N-O 3.14Å
960P90.5Very high91Very high3 Ų345.1 Ų45.12%0.01929%0.292CS..PPolyproline II helixtrans-61.6163.4173.2-23.134.2000112.1P984 D986 V993 G1042 S1044P960-P984 HydrophobicContact CB-CB 4.42Å; P960-P984 HydrophobicContact CB-CG 4.21Å; P960-D986 CarbonylContact C-O 3.55Å; P960-D986 VanDerWaalsContact CA-O 3.3Å; P960-D986 WeakPolarHBondContact CA-O 3.47Å; P960-D986 WeakPolarHBondContact CB-O 3.12Å; P960-V993 HydrophobicContact CG-CG1 4.25Å; P960-G1042 WeakPolarHBondContact CD-O 3.21Å; P960-S1044 WeakPolarHBondContact O-CB 3.33Å
961S91.9Very high90.5Very high35 Ų3551.5 Ų51.525%0.24531%0.308CS..PPolyproline II helixtrans-62.7167.3165.176.80000110.6P984 N985 D986 S1044S961-P984 WeakPolarHBondContact O-CB 3.15Å; S961-P984 WeakPolarHBondContact OG-CB 3.12Å; S961-N985 PolarHBondContact OG-N 2.88Å; S961-D986 PolarHBondContact N-O 2.92Å; S961-S1044 WeakPolarHBondContact O-CB 3.43Å
962C92.3Very high89.9Confident56 Ų5651.1 Ų51.138%0.37831%0.306SS..PPolyproline II helixtrans-56.4144164.250.30000110.5P1045C962-P1045 WeakPolarHBondContact CA-O 3.09Å; C962-P1045 HydrophobicContact CB-CB 4.48Å; C962-P1045 WeakPolarHBondContact CB-O 3.46Å
963P93.6Very high89.6Confident4 Ų451.7 Ų51.73%0.02630%0.304CS..PPolyproline II helixtrans-69.7166.3168.2-12.827.8000111.2N982 Y996 V1035 C1037 S1047P963-N982 WeakPolarHBondContact CB-O 3.49Å; P963-Y996 HydrophobicContact CB-CE1 4.3Å; P963-Y996 HydrophobicContact CG-CD1 4.19Å; P963-Y996 HydrophobicContact CG-CE1 4.17Å; P963-V1035 HydrophobicContact CB-CG1 3.81Å; P963-V1035 HydrophobicContact CG-CG1 3.99Å; P963-V1035 HydrophobicContact CG-CG2 4.4Å; P963-C1037 HydrophobicContact CG-CB 3.82Å; P963-S1047 WeakPolarHBondContact O-CB 3.12Å
964G90.6Very high89.3Confident24 Ų2451.6 Ų51.625%0.24731%0.307CS..PPolyproline II helixtrans-62.4148.8175.700000112.8W981 N982G964-W981 WeakPolarHBondContact O-CB 3.42Å; G964-N982 PolarHBondContact N-O 3.15Å; G964-N982 VanDerWaalsContact N-O 3.09Å
965T93.6Very high89.2Confident72 Ų7252.5 Ų52.544%0.44231%0.311SS..PPolyproline II helixtrans-49.5124.2-178.7-44.20000111.7A967 D1048T965-A967 PolarHBondContact O-N 2.83Å; T965-D1048 HydrophobicContact CG2-CB 4.09Å
966P94.3Very high89.2Confident4 Ų455.9 Ų55.93%0.02633%0.327CS..PPolyproline II helixtrans-68.8131.1-177.225.8-32000110.6I979 W981 L998 C1033 V1035 S1047 G1050P966-I979 HydrophobicContact CB-CG2 3.64Å; P966-W981 HydrophobicContact CB-CB 4.45Å; P966-L998 HydrophobicContact CB-CD1 4.38Å; P966-C1033 HydrophobicContact CG-CB 4.39Å; P966-V1035 HydrophobicContact CB-CG1 4.48Å; P966-V1035 HydrophobicContact CG-CG1 4.42Å; P966-S1047 WeakPolarHBondContact CD-OG 3.39Å; P966-G1050 WeakPolarHBondContact O-CA 3.2Å
967A92.5Very high89.4Confident56 Ų5651.7 Ų51.746%0.46331%0.305SS..EExtended strand (participates in β ladder)trans-125.8153.1-175.700000111.5T965 I979 V980T965-A967 PolarHBondContact O-N 2.83Å; A967-I979 WeakPolarHBondContact O-CA 3.37Å; A967-V980 PolarHBondContact N-O 2.91Å; A967-V980 PolarHBondContact O-N 2.79Å
968V91.3Very high89.7Confident50 Ų5053.2 Ų53.230%0.30331%0.309SS..EExtended strand (participates in β ladder)trans-73.3131.9170.9176.50000109.4L972 K978 I979 F1052V968-L972 HydrophobicContact CG1-CB 4.21Å; V968-L972 HydrophobicContact CG1-CD1 4.01Å; V968-L972 HydrophobicContact CG2-CD1 4.33Å; V968-K978 WeakPolarHBondContact CA-O 3.32Å; V968-I979 HydrophobicContact CG2-CD1 3.82Å; V968-F1052 HydrophobicContact CG2-CB 3.53Å; V968-F1052 HydrophobicContact CG2-CD1 4.05Å; V968-F1052 HydrophobicContact CG2-CD2 4.04Å; V968-F1052 HydrophobicContact CG2-CG 3.61Å
969H89.9Confident90Very high113 Ų11351 Ų5152%0.52330%0.296SS..  trans-111.2138.9174.3-174.792.4000111.4K978 V980H969-K978 PolarHBondContact N-O 3.34Å; H969-V980 HydrophobicContact CB-CB 4.19Å; H969-V980 HydrophobicContact CB-CG2 3.39Å
970G85.7Confident90.4Very high62 Ų6251 Ų5164%0.63929%0.291SS*.SBendtrans75.6-159.2-179.900000113.9L972G970-L972 PolarHBondContact O-N 3.07Å
971R81.1Confident90.7Very high208 Ų20851 Ų5179%0.78529%0.291SS*.SBendtrans-75.2119.5176.7173.7178-85.7-164.6-4.6109.4
972L82.4Confident90.7Very high41 Ų4155 Ų5522%0.21531%0.309CS..  trans-64.2146.5170.7-173.151.8000110.7V968 G970 A977 F1052 T1053V968-L972 HydrophobicContact CG1-CB 4.21Å; V968-L972 HydrophobicContact CG1-CD1 4.01Å; V968-L972 HydrophobicContact CG2-CD1 4.33Å; G970-L972 PolarHBondContact O-N 3.07Å; L972-A977 HydrophobicContact CD1-CB 3.64Å; L972-F1052 HydrophobicContact CD1-CD2 4.21Å; L972-T1053 WeakPolarHBondContact CD2-O 3.22Å
973H86.5Confident90.7Very high75 Ų7553.9 Ų53.935%0.34730%0.301SS..  trans-122.5-178.4177.3-61.5-55.5000110.7Q976 M1055H973-Q976 HydrophobicContact CB-CG 3.68Å; H973-Q976 WeakPolarHBondContact CB-O 3.45Å; H973-Q976 PolarHBondContact CD2-NE2 3.32Å; H973-Q976 PolarHBondContact N-O 2.8Å; H973-M1055 PolarHBondContact O-N 3.23Å
974S86.3Confident90.7Very high28 Ų2853.9 Ų53.920%0.19630%0.301CS..SBendtrans-84.7-44.4-177.447.80000113.6P1027 T1054 M1055 V1057S974-P1027 WeakPolarHBondContact O-CA 3.19Å; S974-T1054 VanDerWaalsContact O-CB 3.3Å; S974-T1054 WeakPolarHBondContact O-CB 3.48Å; S974-M1055 WeakPolarHBondContact CA-O 3.26Å; S974-M1055 WeakPolarHBondContact CB-O 3.39Å; S974-V1057 WeakPolarHBondContact OG-CG1 3.21Å
975T88.2Confident90.6Very high72 Ų7260.8 Ų60.844%0.44233%0.333SS..SBendtrans-105.1-1.6-177.253.80000114T1023 N1024 L1025 P1027T975-T1023 CarbonylContact O-C 3.59Å; T975-T1023 WeakPolarHBondContact O-CA 3.16Å; T975-N1024 PolarHBondContact O-N 2.88Å; T975-L1025 WeakPolarHBondContact CA-O 3.46Å; T975-L1025 PolarHBondContact O-N 3.43Å; T975-P1027 HydrophobicContact CG2-CG 4.31Å
976Q91.1Very high90.4Very high71 Ų7159.6 Ų59.633%0.33232%0.324SS..  trans-150.5150.9-174.167.7176.2-0.600112.2H973 L1022 T1023H973-Q976 HydrophobicContact CB-CG 3.68Å; H973-Q976 WeakPolarHBondContact CB-O 3.45Å; H973-Q976 PolarHBondContact CD2-NE2 3.32Å; H973-Q976 PolarHBondContact N-O 2.8Å; Q976-L1022 CarbonylContact C-O 3.58Å; Q976-L1022 WeakPolarHBondContact CA-O 3.28Å; Q976-L1022 WeakPolarHBondContact CB-O 3.27Å; Q976-T1023 HydrophobicContact CB-CG2 4.39Å
977A92.2Very high90.1Very high1 Ų162.2 Ų62.21%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-148.9126.3177.300000110.6L972 I979 Q1021 L1022 L1025 F1052L972-A977 HydrophobicContact CD1-CB 3.64Å; A977-I979 HydrophobicContact CB-CD1 4.12Å; A977-I979 PolarHBondContact O-N 2.62Å; A977-Q1021 PolarHBondContact O-NE2 3.12Å; A977-L1022 PolarHBondContact N-O 3.17Å; A977-L1022 WeakPolarHBondContact O-CB 3.32Å; A977-L1022 PolarHBondContact O-N 2.86Å; A977-L1025 HydrophobicContact CB-CD1 3.88Å; A977-F1052 HydrophobicContact CB-CD2 4.31Å; A977-F1052 HydrophobicContact CB-CE2 3.7Å; A977-F1052 HydrophobicContact CB-CZ 4.1Å
978K93.9Very high89.7Confident59 Ų5959.5 Ų59.526%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-79.9114171.7-169.4176.1-179.1179.50108.6V968 H969 V980 E1019V968-K978 WeakPolarHBondContact CA-O 3.32Å; H969-K978 PolarHBondContact N-O 3.34Å; K978-V980 HydrophobicContact CG-CG2 4.41Å; K978-E1019 WeakPolarHBondContact CE-OE1 3.39Å; K978-E1019 WeakPolarHBondContact CE-OE2 3.39Å; K978-E1019 IonicContact NZ-OE1 2.94Å; K978-E1019 PolarHBondContact NZ-OE1 3.35Å; K978-E1019 IonicContact NZ-OE2 2.65Å; K978-E1019 PolarHBondContact NZ-OE2 2.89Å
979I94.8Very high89.1Confident0 Ų058.7 Ų58.70%031%0.314CS..EExtended strand (participates in β ladder)trans-100.6134.2177.3-52.9-56.1000108.6P966 A967 V968 A977 W981 L998 E1019 F1020 L1022 F1052P966-I979 HydrophobicContact CB-CG2 3.64Å; A967-I979 WeakPolarHBondContact O-CA 3.37Å; V968-I979 HydrophobicContact CG2-CD1 3.82Å; A977-I979 HydrophobicContact CB-CD1 4.12Å; A977-I979 PolarHBondContact O-N 2.62Å; I979-W981 HydrophobicContact CB-CZ3 4.43Å; I979-W981 HydrophobicContact CG2-CE3 4.08Å; I979-W981 HydrophobicContact CG2-CZ3 4.19Å; I979-L998 HydrophobicContact CB-CD2 4.27Å; I979-L998 HydrophobicContact CG2-CD1 4.27Å; I979-L998 HydrophobicContact CG2-CD2 4.34Å; I979-E1019 CarbonylContact O-C 3.45Å; I979-E1019 VanDerWaalsContact O-CA 3.27Å; I979-E1019 WeakPolarHBondContact O-CA 3.48Å; I979-F1020 PolarHBondContact N-O 3.46Å; I979-F1020 PolarHBondContact O-N 3.45Å; I979-L1022 HydrophobicContact CD1-CD1 4.05Å; I979-L1022 HydrophobicContact CG1-CD1 3.46Å; I979-L1022 VanDerWaalsContact CG1-CD1 3.46Å; I979-L1022 HydrophobicContact CG1-CG 3.81Å; I979-F1052 HydrophobicContact CD1-CD1 4.01Å; I979-F1052 HydrophobicContact CD1-CE1 3.66Å; I979-F1052 HydrophobicContact CD1-CZ 4.06Å
980V96Very high88.8Confident37 Ų3754.9 Ų54.922%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-131.1142.7179.4-177.50000108.4A967 H969 K978 E1019A967-V980 PolarHBondContact N-O 2.91Å; A967-V980 PolarHBondContact O-N 2.79Å; H969-V980 HydrophobicContact CB-CB 4.19Å; H969-V980 HydrophobicContact CB-CG2 3.39Å; K978-V980 HydrophobicContact CG-CG2 4.41Å; V980-E1019 HydrophobicContact CG2-CB 3.84Å
981W95.6Very high88.7Confident4 Ų459.9 Ų59.92%0.01531%0.312CS..  trans-134.8152.3176.150.794.5000110.9G964 P966 I979 Y996 L998 Y1013 Q1017 R1018 F1020 V1035G964-W981 WeakPolarHBondContact O-CB 3.42Å; P966-W981 HydrophobicContact CB-CB 4.45Å; I979-W981 HydrophobicContact CB-CZ3 4.43Å; I979-W981 HydrophobicContact CG2-CE3 4.08Å; I979-W981 HydrophobicContact CG2-CZ3 4.19Å; W981-Y996 AromaticContact CD1-CD1 3.65Å; W981-Y996 AromaticContact CD1-CE1 3.86Å; W981-Y996 HydrophobicContact CZ2-CG 4.43Å; W981-Y996 AromaticContact NE1-CD1 3.07Å; W981-Y996 AromaticContact NE1-CE1 3.64Å; W981-Y996 AromaticContact NE1-CG 3.4Å; W981-L998 HydrophobicContact CE3-CD1 4.38Å; W981-L998 HydrophobicContact CH2-CB 4.31Å; W981-L998 HydrophobicContact CH2-CD2 4.34Å; W981-L998 HydrophobicContact CZ3-CD1 4.17Å; W981-L998 HydrophobicContact CZ3-CD2 3.96Å; W981-L998 HydrophobicContact CZ3-CG 4.45Å; W981-Y1013 AromaticContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CE1 4.03Å; W981-Y1013 HydrophobicContact CZ2-CD1 4.12Å; W981-Y1013 AromaticContact CZ2-CE1 3.9Å; W981-Y1013 HydrophobicContact CZ2-CE1 3.9Å; W981-Q1017 VanDerWaalsContact CZ2-O 3.28Å; W981-Q1017 WeakPolarHBondContact CZ2-O 3.36Å; W981-R1018 PolarHBondContact N-O 2.87Å; W981-R1018 VanDerWaalsContact N-O 3.12Å; W981-F1020 HydrophobicContact CH2-CB 3.92Å; W981-F1020 HydrophobicContact CZ3-CB 4.18Å; W981-V1035 HydrophobicContact CB-CG1 3.91Å; W981-V1035 HydrophobicContact CD2-CB 4.38Å; W981-V1035 HydrophobicContact CD2-CG1 4.41Å; W981-V1035 HydrophobicContact CD2-CG2 4Å; W981-V1035 HydrophobicContact CG-CB 4.35Å; W981-V1035 HydrophobicContact CG-CG1 3.89Å; W981-V1035 HydrophobicContact CG-CG2 4.12Å; W981-V1035 HydrophobicContact CZ2-CG2 4.32Å
982N93.3Very high88.8Confident117 Ų11754.6 Ų54.663%0.62630%0.299SS*.PPolyproline II helixtrans-77.7151.1170.8-68.9-23.5000109.6P963 G964P963-N982 WeakPolarHBondContact CB-O 3.49Å; G964-N982 PolarHBondContact N-O 3.15Å; G964-N982 VanDerWaalsContact N-O 3.09Å
983P92.7Very high89Confident33 Ų3353.1 Ų53.121%0.21429%0.292CS..PPolyproline II helixtrans-58163.716929.4-36.7000110.8F987P983-F987 HydrophobicContact CB-CE1 3.98Å; P983-F987 HydrophobicContact CB-CZ 3.92Å; P983-F987 HydrophobicContact CG-CZ 4.5Å
984P91.7Very high89.1Confident4 Ų454.4 Ų54.43%0.02630%0.301CS..PPolyproline II helixtrans-58.1151.5167.729.2-37000110.9P960 S961 D986 F987 V993P960-P984 HydrophobicContact CB-CB 4.42Å; P960-P984 HydrophobicContact CB-CG 4.21Å; S961-P984 WeakPolarHBondContact O-CB 3.15Å; S961-P984 WeakPolarHBondContact OG-CB 3.12Å; P984-D986 WeakPolarHBondContact CB-O 3.36Å; P984-D986 PolarHBondContact O-N 3.49Å; P984-F987 HydrophobicContact CG-CD1 3.9Å; P984-F987 HydrophobicContact CG-CE1 3.97Å; P984-V993 HydrophobicContact CG-CG2 3.77Å
985N89.9Confident89.5Confident169 Ų16955.2 Ų55.290%0.90430%0.302SS*.SBendtrans-69.7-12.8170-69.9-28.8000111.9S961S961-N985 PolarHBondContact OG-N 2.88Å
986D88.9Confident89.8Confident48 Ų4851.9 Ų51.926%0.25728%0.281SS..  trans-146.7111.3-172.3-175.4-17.3000109.8R928 P960 S961 P984 G988R928-D986 VanDerWaalsContact CZ-CG 3.48Å; R928-D986 IonicContact CZ-OD1 3.19Å; R928-D986 IonicContact CZ-OD2 2.71Å; R928-D986 IonicContact NE-OD1 2.72Å; R928-D986 IonicContact NH1-OD1 3.65Å; R928-D986 PolarHBondContact NH1-OD1 2.89Å; R928-D986 IonicContact NH1-OD2 3.51Å; R928-D986 PolarHBondContact NH1-OD2 3.15Å; R928-D986 IonicContact NH2-OD1 2.99Å; R928-D986 PolarHBondContact NH2-OD1 2.95Å; R928-D986 IonicContact NH2-OD2 3.81Å; R928-D986 PolarHBondContact NH2-OD2 2.97Å; P960-D986 CarbonylContact C-O 3.55Å; P960-D986 VanDerWaalsContact CA-O 3.3Å; P960-D986 WeakPolarHBondContact CA-O 3.47Å; P960-D986 WeakPolarHBondContact CB-O 3.12Å; S961-D986 PolarHBondContact N-O 2.92Å; P984-D986 WeakPolarHBondContact CB-O 3.36Å; P984-D986 PolarHBondContact O-N 3.49Å; D986-G988 PolarHBondContact O-N 3.37Å; D986-G988 PolarHBondContact OD1-N 2.85Å
987F88Confident90.1Very high58 Ų5849 Ų4925%0.25427%0.268SS..  trans-81.48.4-178.9-60.5-82.7000113.6P983 P984 G989 C990 V993P983-F987 HydrophobicContact CB-CE1 3.98Å; P983-F987 HydrophobicContact CB-CZ 3.92Å; P983-F987 HydrophobicContact CG-CZ 4.5Å; P984-F987 HydrophobicContact CG-CD1 3.9Å; P984-F987 HydrophobicContact CG-CE1 3.97Å; F987-G989 PolarHBondContact O-N 2.8Å; F987-C990 WeakPolarHBondContact CB-O 3.43Å; F987-V993 HydrophobicContact CD1-CG2 3.57Å; F987-V993 HydrophobicContact CE1-CG2 4.01Å
988G83.6Confident90.3Very high0 Ų048.9 Ų48.90%027%0.268CS..THydrogen-bonded Turntrans74.811.6-17800000114.6R928 P957 T958 D986R928-G988 WeakPolarHBondContact CD-O 3.3Å; P957-G988 CarbonylContact C-O 3.57Å; P957-G988 VanDerWaalsContact CA-O 3.27Å; P957-G988 WeakPolarHBondContact CA-O 3.26Å; T958-G988 PolarHBondContact N-O 2.89Å; T958-G988 WeakPolarHBondContact O-CA 3.04Å; T958-G988 VanDerWaalsContact OG1-CA 3.25Å; T958-G988 WeakPolarHBondContact OG1-CA 3.07Å; D986-G988 PolarHBondContact O-N 3.37Å; D986-G988 PolarHBondContact OD1-N 2.85Å
989G80.2Confident90.3Very high32 Ų3247.1 Ų47.133%0.3326%0.26SS..THydrogen-bonded Turntrans106.8-14.2-177.500000114.8C929 F987C929-G989 VanDerWaalsContact CB-C 3.49Å; C929-G989 WeakPolarHBondContact CB-O 3.39Å; F987-G989 PolarHBondContact O-N 2.8Å
990C82.6Confident90.3Very high33 Ų3347.4 Ų47.422%0.22326%0.262CS..SBendtrans-79.8167.7172.8-59.50000111.2F987F987-C990 WeakPolarHBondContact CB-O 3.43Å
991D82.9Confident90.1Very high167 Ų16747.6 Ų47.689%0.89326%0.26SS*.SBendtrans-78.6-24.5177.3-65.9-53.9000114
992D84.5Confident89.9Confident98 Ų9850.5 Ų50.552%0.52427%0.274SS..SBendtrans-153.1-174.3177.5-155.7-10.4000110.2
993V86.7Confident89.7Confident10 Ų1050.6 Ų50.66%0.06127%0.269CS..  trans-112.4138.2178.5-159.90000112P960 P984 F987 E995 Y996 C1037 K1038P960-V993 HydrophobicContact CG-CG1 4.25Å; P984-V993 HydrophobicContact CG-CG2 3.77Å; F987-V993 HydrophobicContact CD1-CG2 3.57Å; F987-V993 HydrophobicContact CE1-CG2 4.01Å; V993-E995 PolarHBondContact O-N 3.26Å; V993-Y996 HydrophobicContact CB-CE2 4.31Å; V993-C1037 HydrophobicContact CB-CB 4.34Å; V993-C1037 HydrophobicContact CG1-CB 3.62Å; V993-C1037 HydrophobicContact CG2-CB 4.34Å; V993-K1038 WeakPolarHBondContact CG1-O 3.48Å
994D88.9Confident89.1Confident102 Ų10253.4 Ų53.455%0.54529%0.289SS..SBendtrans-65.7-40-177.2-49.2-60.6000112.7K1038 G1039 A1040D994-K1038 WeakPolarHBondContact CB-O 3.15Å; D994-K1038 PolarHBondContact N-O 3.33Å; D994-K1038 VanDerWaalsContact N-O 3.15Å; D994-G1039 WeakPolarHBondContact OD2-CA 3.43Å; D994-A1040 PolarHBondContact OD2-N 2.63Å; D994-A1040 VanDerWaalsContact OD2-N 3.08Å
995E93.6Very high88.7Confident44 Ų4454.6 Ų54.621%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-151.9138.6-169.3-164.5-160.2136.600112.2V993 C1037 K1038V993-E995 PolarHBondContact O-N 3.26Å; E995-C1037 CarbonylContact O-C 3.59Å; E995-C1037 VanDerWaalsContact O-CA 3.23Å; E995-C1037 WeakPolarHBondContact O-CA 3.21Å; E995-K1038 HydrophobicContact CB-CB 4.37Å; E995-K1038 PolarHBondContact N-O 2.74Å; E995-K1038 PolarHBondContact O-N 3.42Å; E995-K1038 IonicContact OE2-NZ 3.13Å; E995-K1038 PolarHBondContact OE2-NZ 2.83Å
996Y95.7Very high88.1Confident2 Ų252.2 Ų52.21%0.00829%0.294CS..EExtended strand (participates in β ladder)trans-106.9128.5165.5-65.1-95.4000110.1P963 W981 V993 A1014 G1015 R1018 V1035 R1036 C1037P963-Y996 HydrophobicContact CB-CE1 4.3Å; P963-Y996 HydrophobicContact CG-CD1 4.19Å; P963-Y996 HydrophobicContact CG-CE1 4.17Å; W981-Y996 AromaticContact CD1-CD1 3.65Å; W981-Y996 AromaticContact CD1-CE1 3.86Å; W981-Y996 HydrophobicContact CZ2-CG 4.43Å; W981-Y996 AromaticContact NE1-CD1 3.07Å; W981-Y996 AromaticContact NE1-CE1 3.64Å; W981-Y996 AromaticContact NE1-CG 3.4Å; V993-Y996 HydrophobicContact CB-CE2 4.31Å; Y996-A1014 WeakPolarHBondContact O-CA 3.24Å; Y996-G1015 WeakPolarHBondContact CB-O 3.38Å; Y996-G1015 PolarHBondContact N-O 3.18Å; Y996-G1015 PolarHBondContact O-N 3.33Å; Y996-R1018 HydrophobicContact CD2-CG 4.47Å; Y996-R1018 HydrophobicContact CE2-CG 3.91Å; Y996-V1035 HydrophobicContact CD1-CG2 4.23Å; Y996-R1036 CarbonylContact C-O 3.47Å; Y996-R1036 WeakPolarHBondContact CA-O 3.37Å; Y996-C1037 HydrophobicContact CD1-CB 3.51Å; Y996-C1037 HydrophobicContact CE1-CB 3.63Å; Y996-C1037 HydrophobicContact CG-CB 4.17Å
997T96Very high87.4Confident10 Ų1055.3 Ų55.36%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-103.1111.6171-38.50000109.5Y1013 V1035 R1036T997-Y1013 WeakPolarHBondContact CA-O 3.39Å; T997-V1035 WeakPolarHBondContact O-CA 3.12Å; T997-R1036 PolarHBondContact N-O 2.81Å; T997-R1036 PolarHBondContact O-N 3.42Å
998L96.1Very high87.2Confident0 Ų055.6 Ų55.60%033%0.33CS..EExtended strand (participates in β ladder)trans-89.5129.5171.4-176.568.3000109.7P966 I979 W981 V1000 V1012 Y1013 F1020 L1022 V1035P966-L998 HydrophobicContact CB-CD1 4.38Å; I979-L998 HydrophobicContact CB-CD2 4.27Å; I979-L998 HydrophobicContact CG2-CD1 4.27Å; I979-L998 HydrophobicContact CG2-CD2 4.34Å; W981-L998 HydrophobicContact CE3-CD1 4.38Å; W981-L998 HydrophobicContact CH2-CB 4.31Å; W981-L998 HydrophobicContact CH2-CD2 4.34Å; W981-L998 HydrophobicContact CZ3-CD1 4.17Å; W981-L998 HydrophobicContact CZ3-CD2 3.96Å; W981-L998 HydrophobicContact CZ3-CG 4.45Å; L998-V1000 HydrophobicContact CG-CG2 4.49Å; L998-V1012 HydrophobicContact CB-CG2 4.2Å; L998-V1012 HydrophobicContact CD2-CG2 3.93Å; L998-V1012 HydrophobicContact CG-CG2 3.91Å; L998-V1012 WeakPolarHBondContact O-CG2 3.46Å; L998-V1012 PolarHBondContact O-N 2.95Å; L998-Y1013 HydrophobicContact CB-CD1 4.3Å; L998-Y1013 PolarHBondContact N-O 2.96Å; L998-F1020 HydrophobicContact CD2-CB 4.21Å; L998-F1020 HydrophobicContact CD2-CD1 4.13Å; L998-L1022 HydrophobicContact CD2-CD2 4.11Å; L998-V1035 HydrophobicContact CD1-CB 4.1Å
999Q95.4Very high87.6Confident21 Ų2158.8 Ų58.810%0.09834%0.342CS..EExtended strand (participates in β ladder)trans-116140.7172-72.9-166-23.400111.8W1009 M1010 S1011 C1033 R1034 F1046Q999-W1009 HydrophobicContact CB-CB 4.21Å; Q999-W1009 HydrophobicContact CB-CE3 4.12Å; Q999-W1009 HydrophobicContact CG-CB 4.49Å; Q999-W1009 VanDerWaalsContact OE1-CB 3.28Å; Q999-M1010 CarbonylContact C-O 3.55Å; Q999-M1010 VanDerWaalsContact CA-O 3.23Å; Q999-M1010 WeakPolarHBondContact CA-O 3.27Å; Q999-S1011 PolarHBondContact NE2-OG 3.43Å; Q999-C1033 CarbonylContact O-C 3.56Å; Q999-C1033 VanDerWaalsContact O-CA 3.27Å; Q999-C1033 WeakPolarHBondContact O-CA 3.23Å; Q999-R1034 HydrophobicContact CB-CG 4Å; Q999-R1034 PolarHBondContact N-O 3.3Å; Q999-R1034 PolarHBondContact O-N 2.78Å; Q999-R1034 VanDerWaalsContact OE1-NE 3.08Å; Q999-F1046 HydrophobicContact CB-CE1 4.35Å; Q999-F1046 HydrophobicContact CG-CE1 3.95Å; Q999-F1046 HydrophobicContact CG-CZ 4.36Å
1000V93.9Very high88.1Confident7 Ų763.6 Ų63.64%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-132.1147.4178.3176.10000109.6L998 M1010 V1012 L1022 Y1031 Q1032 C1033L998-V1000 HydrophobicContact CG-CG2 4.49Å; V1000-M1010 PolarHBondContact N-O 3.4Å; V1000-M1010 WeakPolarHBondContact O-CB 3.22Å; V1000-M1010 PolarHBondContact O-N 2.7Å; V1000-V1012 HydrophobicContact CB-CG1 4.17Å; V1000-V1012 HydrophobicContact CB-CG2 4.19Å; V1000-V1012 HydrophobicContact CG2-CG1 4.47Å; V1000-V1012 HydrophobicContact CG2-CG2 3.65Å; V1000-L1022 HydrophobicContact CG2-CD1 3.86Å; V1000-L1022 HydrophobicContact CG2-CD2 3.93Å; V1000-Y1031 HydrophobicContact CG1-CD1 3.73Å; V1000-Y1031 HydrophobicContact CG1-CG 4.36Å; V1000-Q1032 CarbonylContact C-O 3.59Å; V1000-Q1032 VanDerWaalsContact CA-O 3.32Å; V1000-Q1032 WeakPolarHBondContact CA-O 3.39Å; V1000-C1033 HydrophobicContact CG2-CB 3.91Å
1001K93Very high88.6Confident41 Ų4165.4 Ų65.418%0.17837%0.371CS..EExtended strand (participates in β ladder)trans-147160162.371.5177.3-156.7122.80111S1005 W1009 Q1032K1001-S1005 PolarHBondContact NZ-O 3.04Å; K1001-W1009 HydrophobicContact CB-CE3 4.34Å; K1001-W1009 HydrophobicContact CD-CD2 3.88Å; K1001-W1009 HydrophobicContact CD-CE3 4.25Å; K1001-W1009 HydrophobicContact CD-CG 4.25Å; K1001-W1009 HydrophobicContact CD-CZ2 4.24Å; K1001-W1009 HydrophobicContact CG-CD2 4.1Å; K1001-W1009 HydrophobicContact CG-CE3 3.94Å; K1001-W1009 HydrophobicContact CG-CH2 4.39Å; K1001-W1009 HydrophobicContact CG-CZ3 4.09Å; K1001-Q1032 VanDerWaalsContact CE-OE1 3.31Å; K1001-Q1032 HydrophobicContact CG-CB 4.23Å; K1001-Q1032 PolarHBondContact N-O 3.49Å; K1001-Q1032 PolarHBondContact O-N 2.89Å
1002E91.6Very high89.1Confident64 Ų6459.5 Ų59.530%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-68.7134.8167.2173.5162.9174.100110.2S1004 S1005 T1029 Y1031E1002-S1004 WeakPolarHBondContact CG-OG 3.27Å; E1002-S1004 PolarHBondContact O-N 2.94Å; E1002-S1004 WeakPolarHBondContact OE1-CB 3.35Å; E1002-S1004 PolarHBondContact OE1-OG 3.17Å; E1002-S1005 PolarHBondContact O-N 2.99Å; E1002-S1005 VanDerWaalsContact O-N 3.15Å; E1002-T1029 HydrophobicContact CB-CG2 4.25Å; E1002-T1029 HydrophobicContact CG-CG2 3.57Å; E1002-Y1031 HydrophobicContact CB-CD1 4.49Å; E1002-Y1031 HydrophobicContact CB-CE1 4.21Å
1003K87.6Confident89.5Confident119 Ų11956.6 Ų56.652%0.51732%0.323SS..THydrogen-bonded Turntrans-63.6-30.3179.9-171.8-179.5177.6-174.90112.4A1030 Q1032 V1051K1003-A1030 HydrophobicContact CB-CB 3.97Å; K1003-A1030 WeakPolarHBondContact CB-O 3.47Å; K1003-A1030 HydrophobicContact CD-CB 3.99Å; K1003-A1030 PolarHBondContact N-O 2.85Å; K1003-Q1032 HydrophobicContact CB-CG 3.93Å; K1003-Q1032 HydrophobicContact CG-CG 4.01Å; K1003-V1051 HydrophobicContact CD-CG1 4.32Å
1004S81.5Confident89.8Confident92 Ų9259.3 Ų59.364%0.64335%0.346SS*.THydrogen-bonded Turntrans-71.1-27.5176.3-27.40000113.1E1002E1002-S1004 WeakPolarHBondContact CG-OG 3.27Å; E1002-S1004 PolarHBondContact O-N 2.94Å; E1002-S1004 WeakPolarHBondContact OE1-CB 3.35Å; E1002-S1004 PolarHBondContact OE1-OG 3.17Å
1005S81.5Confident90Very high29 Ų2955.2 Ų55.220%0.20333%0.328CS..  trans-88.4139.3-170.6-1720000113.3K1001 E1002 D1007K1001-S1005 PolarHBondContact NZ-O 3.04Å; E1002-S1005 PolarHBondContact O-N 2.99Å; E1002-S1005 VanDerWaalsContact O-N 3.15Å; S1005-D1007 VanDerWaalsContact OG-CB 3.32Å; S1005-D1007 WeakPolarHBondContact OG-CB 3.35Å; S1005-D1007 PolarHBondContact OG-N 3.31Å; S1005-D1007 PolarHBondContact OG-OD2 2.74Å
1006S77.8Confident89.9Confident119 Ų11956.2 Ų56.283%0.83234%0.343SS*.  trans-72.7-11.3165.547.70000113.7
1007D74.3Confident89.7Confident113 Ų11362.3 Ų62.360%0.60437%0.372SS*.SBendtrans-64.1162.8-176.6-58.9-40.2000113.1S1005S1005-D1007 VanDerWaalsContact OG-CB 3.32Å; S1005-D1007 WeakPolarHBondContact OG-CB 3.35Å; S1005-D1007 PolarHBondContact OG-N 3.31Å; S1005-D1007 PolarHBondContact OG-OD2 2.74Å
1008G84.6Confident89.6Confident64 Ų6467.8 Ų67.866%0.6639%0.392SS*.PPolyproline II helixtrans-62.5162.1176.400000113.7M1010G1008-M1010 PolarHBondContact O-N 3.41Å
1009W92.1Very high89.5Confident68 Ų6872.1 Ų72.126%0.25841%0.412SS..PPolyproline II helixtrans-71.4126.4174.2-68.487.4000110.9Q999 K1001 Q1032 R1034 V1049Q999-W1009 HydrophobicContact CB-CB 4.21Å; Q999-W1009 HydrophobicContact CB-CE3 4.12Å; Q999-W1009 HydrophobicContact CG-CB 4.49Å; Q999-W1009 VanDerWaalsContact OE1-CB 3.28Å; K1001-W1009 HydrophobicContact CB-CE3 4.34Å; K1001-W1009 HydrophobicContact CD-CD2 3.88Å; K1001-W1009 HydrophobicContact CD-CE3 4.25Å; K1001-W1009 HydrophobicContact CD-CG 4.25Å; K1001-W1009 HydrophobicContact CD-CZ2 4.24Å; K1001-W1009 HydrophobicContact CG-CD2 4.1Å; K1001-W1009 HydrophobicContact CG-CE3 3.94Å; K1001-W1009 HydrophobicContact CG-CH2 4.39Å; K1001-W1009 HydrophobicContact CG-CZ3 4.09Å; W1009-Q1032 HydrophobicContact CH2-CB 3.8Å; W1009-Q1032 HydrophobicContact CZ3-CB 4.05Å; W1009-R1034 HydrophobicContact CD2-CG 4.31Å; W1009-R1034 HydrophobicContact CE3-CG 3.8Å; W1009-R1034 HydrophobicContact CH2-CB 4.34Å; W1009-R1034 HydrophobicContact CH2-CG 3.99Å; W1009-R1034 HydrophobicContact CZ2-CG 4.49Å; W1009-R1034 HydrophobicContact CZ3-CB 4.2Å; W1009-R1034 HydrophobicContact CZ3-CG 3.63Å; W1009-V1049 HydrophobicContact CH2-CG1 3.93Å; W1009-V1049 HydrophobicContact CH2-CG2 3.87Å; W1009-V1049 HydrophobicContact CZ2-CG2 4.2Å
1010M90.6Very high89.4Confident132 Ų13274 Ų7465%0.6542%0.42SS*.EExtended strand (participates in β ladder)trans-87.2124.3174.9-175.7-177.7-69.300109.8Q999 V1000 G1008 V1012Q999-M1010 CarbonylContact C-O 3.55Å; Q999-M1010 VanDerWaalsContact CA-O 3.23Å; Q999-M1010 WeakPolarHBondContact CA-O 3.27Å; V1000-M1010 PolarHBondContact N-O 3.4Å; V1000-M1010 WeakPolarHBondContact O-CB 3.22Å; V1000-M1010 PolarHBondContact O-N 2.7Å; G1008-M1010 PolarHBondContact O-N 3.41Å; M1010-V1012 HydrophobicContact CB-CG1 4.43Å; M1010-V1012 HydrophobicContact CG-CG1 4.01Å; M1010-V1012 PolarHBondContact O-N 3.24Å; M1010-V1012 HydrophobicContact SD-CG1 4.08Å
1011S92.5Very high89.4Confident72 Ų7277.2 Ų77.250%0.50343%0.434SS..EExtended strand (participates in β ladder)trans-73.2118.8166.3-62.90000109.2Q999Q999-S1011 PolarHBondContact NE2-OG 3.43Å
1012V92.6Very high89.4Confident42 Ų4275.5 Ų75.526%0.25543%0.427SS..EExtended strand (participates in β ladder)trans-112.4-16-173.1-68.90000113.4L998 V1000 M1010 F1020 L1022L998-V1012 HydrophobicContact CB-CG2 4.2Å; L998-V1012 HydrophobicContact CD2-CG2 3.93Å; L998-V1012 HydrophobicContact CG-CG2 3.91Å; L998-V1012 WeakPolarHBondContact O-CG2 3.46Å; L998-V1012 PolarHBondContact O-N 2.95Å; V1000-V1012 HydrophobicContact CB-CG1 4.17Å; V1000-V1012 HydrophobicContact CB-CG2 4.19Å; V1000-V1012 HydrophobicContact CG2-CG1 4.47Å; V1000-V1012 HydrophobicContact CG2-CG2 3.65Å; M1010-V1012 HydrophobicContact CB-CG1 4.43Å; M1010-V1012 HydrophobicContact CG-CG1 4.01Å; M1010-V1012 PolarHBondContact O-N 3.24Å; M1010-V1012 HydrophobicContact SD-CG1 4.08Å; V1012-F1020 HydrophobicContact CB-CE1 4.5Å; V1012-F1020 WeakPolarHBondContact O-CE1 3.4Å; V1012-F1020 WeakPolarHBondContact O-CZ 3.38Å; V1012-L1022 HydrophobicContact CB-CD2 4.14Å; V1012-L1022 HydrophobicContact CG2-CD2 3.64Å
1013Y94.5Very high89.3Confident38 Ų3876.2 Ų76.215%0.14944%0.436CS..EExtended strand (participates in β ladder)trans-153.3145.8175165.9-97.6000110.9W981 T997 L998 G1015 A1016 Q1017 F1020W981-Y1013 AromaticContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CE1 4.03Å; W981-Y1013 HydrophobicContact CZ2-CD1 4.12Å; W981-Y1013 AromaticContact CZ2-CE1 3.9Å; W981-Y1013 HydrophobicContact CZ2-CE1 3.9Å; T997-Y1013 WeakPolarHBondContact CA-O 3.39Å; L998-Y1013 HydrophobicContact CB-CD1 4.3Å; L998-Y1013 PolarHBondContact N-O 2.96Å; Y1013-G1015 WeakPolarHBondContact CE1-O 3.34Å; Y1013-G1015 WeakPolarHBondContact OH-CA 3.33Å; Y1013-G1015 PolarHBondContact OH-O 3.39Å; Y1013-A1016 PolarHBondContact OH-N 3.48Å; Y1013-Q1017 WeakPolarHBondContact CE1-O 3.14Å; Y1013-Q1017 WeakPolarHBondContact OH-CA 3.46Å; Y1013-Q1017 VanDerWaalsContact OH-CB 3.27Å; Y1013-Q1017 WeakPolarHBondContact OH-CB 3.48Å; Y1013-Q1017 PolarHBondContact OH-N 3.28Å; Y1013-Q1017 PolarHBondContact OH-O 2.66Å; Y1013-F1020 HydrophobicContact CD1-CB 4.3Å; Y1013-F1020 HydrophobicContact CD1-CG 4.48Å; Y1013-F1020 HydrophobicContact CD2-CB 4.39Å; Y1013-F1020 AromaticContact CD2-CD2 3.28Å; Y1013-F1020 HydrophobicContact CD2-CD2 3.28Å; Y1013-F1020 AromaticContact CD2-CE2 3.62Å; Y1013-F1020 HydrophobicContact CD2-CE2 3.62Å; Y1013-F1020 AromaticContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CZ 4.48Å; Y1013-F1020 HydrophobicContact CE2-CD2 4.06Å; Y1013-F1020 HydrophobicContact CG-CB 4.01Å; Y1013-F1020 HydrophobicContact CG-CD1 4.34Å; Y1013-F1020 AromaticContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CE2 4.11Å; Y1013-F1020 AromaticContact CG-CG 3.73Å; Y1013-F1020 HydrophobicContact CG-CG 3.73Å
1014A93.1Very high89.3Confident66 Ų6678 Ų7855%0.54545%0.451SS..EExtended strand (participates in β ladder)trans-144.4116.8177.600000108.7Y996Y996-A1014 WeakPolarHBondContact O-CA 3.24Å
1015G92.7Very high89.7Confident17 Ų1774.4 Ų74.418%0.17543%0.425CS..EExtended strand (participates in β ladder)trans158.2177.3178.100000114.6Y996 Y1013 Q1017Y996-G1015 WeakPolarHBondContact CB-O 3.38Å; Y996-G1015 PolarHBondContact N-O 3.18Å; Y996-G1015 PolarHBondContact O-N 3.33Å; Y1013-G1015 WeakPolarHBondContact CE1-O 3.34Å; Y1013-G1015 WeakPolarHBondContact OH-CA 3.33Å; Y1013-G1015 PolarHBondContact OH-O 3.39Å; G1015-Q1017 PolarHBondContact O-N 3Å
1016A91.2Very high90Very high64 Ų6475.6 Ų75.653%0.52943%0.433SS..SBendtrans-75.1-19-170.800000116.3Y1013Y1013-A1016 PolarHBondContact OH-N 3.48Å
1017Q92Very high90.4Very high131 Ų13171.6 Ų71.661%0.61240%0.404SS*.  trans-64.7142.9177.1-55.8-61.2-30.400111.6W981 Y1013 G1015 E1019W981-Q1017 VanDerWaalsContact CZ2-O 3.28Å; W981-Q1017 WeakPolarHBondContact CZ2-O 3.36Å; Y1013-Q1017 WeakPolarHBondContact CE1-O 3.14Å; Y1013-Q1017 WeakPolarHBondContact OH-CA 3.46Å; Y1013-Q1017 VanDerWaalsContact OH-CB 3.27Å; Y1013-Q1017 WeakPolarHBondContact OH-CB 3.48Å; Y1013-Q1017 PolarHBondContact OH-N 3.28Å; Y1013-Q1017 PolarHBondContact OH-O 2.66Å; G1015-Q1017 PolarHBondContact O-N 3Å; Q1017-E1019 VanDerWaalsContact C-N 3.33Å
1018R93.2Very high90.9Very high125 Ų12567 Ų6747%0.47238%0.383SS..SBendtrans-93.712.9177.8-58.8-178.4-59.5-160.20.3113.9W981 Y996W981-R1018 PolarHBondContact N-O 2.87Å; W981-R1018 VanDerWaalsContact N-O 3.12Å; Y996-R1018 HydrophobicContact CD2-CG 4.47Å; Y996-R1018 HydrophobicContact CE2-CG 3.91Å
1019E93.7Very high91.1Very high91 Ų9165 Ų6543%0.42536%0.359SS..EExtended strand (participates in β ladder)trans-141.6145.617658.8169.6-124.200110.6K978 I979 V980 Q1017K978-E1019 WeakPolarHBondContact CE-OE1 3.39Å; K978-E1019 WeakPolarHBondContact CE-OE2 3.39Å; K978-E1019 IonicContact NZ-OE1 2.94Å; K978-E1019 PolarHBondContact NZ-OE1 3.35Å; K978-E1019 IonicContact NZ-OE2 2.65Å; K978-E1019 PolarHBondContact NZ-OE2 2.89Å; I979-E1019 CarbonylContact O-C 3.45Å; I979-E1019 VanDerWaalsContact O-CA 3.27Å; I979-E1019 WeakPolarHBondContact O-CA 3.48Å; V980-E1019 HydrophobicContact CG2-CB 3.84Å; Q1017-E1019 VanDerWaalsContact C-N 3.33Å
1020F94.4Very high91.1Very high61 Ų6162.9 Ų62.927%0.26836%0.355SS..EExtended strand (participates in β ladder)trans-144.8139.5175.6-174.3-112.4000111.9I979 W981 L998 V1012 Y1013 L1022I979-F1020 PolarHBondContact N-O 3.46Å; I979-F1020 PolarHBondContact O-N 3.45Å; W981-F1020 HydrophobicContact CH2-CB 3.92Å; W981-F1020 HydrophobicContact CZ3-CB 4.18Å; L998-F1020 HydrophobicContact CD2-CB 4.21Å; L998-F1020 HydrophobicContact CD2-CD1 4.13Å; V1012-F1020 HydrophobicContact CB-CE1 4.5Å; V1012-F1020 WeakPolarHBondContact O-CE1 3.4Å; V1012-F1020 WeakPolarHBondContact O-CZ 3.38Å; Y1013-F1020 HydrophobicContact CD1-CB 4.3Å; Y1013-F1020 HydrophobicContact CD1-CG 4.48Å; Y1013-F1020 HydrophobicContact CD2-CB 4.39Å; Y1013-F1020 AromaticContact CD2-CD2 3.28Å; Y1013-F1020 HydrophobicContact CD2-CD2 3.28Å; Y1013-F1020 AromaticContact CD2-CE2 3.62Å; Y1013-F1020 HydrophobicContact CD2-CE2 3.62Å; Y1013-F1020 AromaticContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CZ 4.48Å; Y1013-F1020 HydrophobicContact CE2-CD2 4.06Å; Y1013-F1020 HydrophobicContact CG-CB 4.01Å; Y1013-F1020 HydrophobicContact CG-CD1 4.34Å; Y1013-F1020 AromaticContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CE2 4.11Å; Y1013-F1020 AromaticContact CG-CG 3.73Å; Y1013-F1020 HydrophobicContact CG-CG 3.73Å; F1020-L1022 HydrophobicContact CD1-CD2 3.78Å; F1020-L1022 HydrophobicContact CD1-CG 4.44Å; F1020-L1022 HydrophobicContact CE1-CD2 3.93Å; F1020-L1022 PolarHBondContact O-N 2.88Å
1021Q93.2Very high91.2Very high74 Ų7457.6 Ų57.635%0.34633%0.328SS..EExtended strand (participates in β ladder)trans-91.297.3176.5-176.159.663.500109.4A977 T1023A977-Q1021 PolarHBondContact O-NE2 3.12Å; Q1021-T1023 HydrophobicContact CG-CG2 4.32Å; Q1021-T1023 PolarHBondContact O-N 2.91Å
1022L92.4Very high91.3Very high5 Ų556.2 Ų56.23%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-62.5138.1167.7-60177.2000109.1Q976 A977 I979 L998 V1000 V1012 F1020 L1025 F1052Q976-L1022 CarbonylContact C-O 3.58Å; Q976-L1022 WeakPolarHBondContact CA-O 3.28Å; Q976-L1022 WeakPolarHBondContact CB-O 3.27Å; A977-L1022 PolarHBondContact N-O 3.17Å; A977-L1022 WeakPolarHBondContact O-CB 3.32Å; A977-L1022 PolarHBondContact O-N 2.86Å; I979-L1022 HydrophobicContact CD1-CD1 4.05Å; I979-L1022 HydrophobicContact CG1-CD1 3.46Å; I979-L1022 VanDerWaalsContact CG1-CD1 3.46Å; I979-L1022 HydrophobicContact CG1-CG 3.81Å; L998-L1022 HydrophobicContact CD2-CD2 4.11Å; V1000-L1022 HydrophobicContact CG2-CD1 3.86Å; V1000-L1022 HydrophobicContact CG2-CD2 3.93Å; V1012-L1022 HydrophobicContact CB-CD2 4.14Å; V1012-L1022 HydrophobicContact CG2-CD2 3.64Å; F1020-L1022 HydrophobicContact CD1-CD2 3.78Å; F1020-L1022 HydrophobicContact CD1-CG 4.44Å; F1020-L1022 HydrophobicContact CE1-CD2 3.93Å; F1020-L1022 PolarHBondContact O-N 2.88Å; L1022-L1025 HydrophobicContact CB-CD1 3.94Å; L1022-L1025 HydrophobicContact CB-CD2 4.29Å; L1022-L1025 HydrophobicContact CB-CG 4.24Å; L1022-L1025 HydrophobicContact CD1-CD1 4.27Å; L1022-L1025 HydrophobicContact CD1-CD2 4.48Å; L1022-F1052 HydrophobicContact CD1-CE1 4.15Å; L1022-F1052 HydrophobicContact CD1-CZ 3.67Å
1023T90Very high91.4Very high78 Ų7854.3 Ų54.348%0.47930%0.302SS..  trans-132.7173.6174.454.50000108.9T975 Q976 Q1021 L1025T975-T1023 CarbonylContact O-C 3.59Å; T975-T1023 WeakPolarHBondContact O-CA 3.16Å; Q976-T1023 HydrophobicContact CB-CG2 4.39Å; Q1021-T1023 HydrophobicContact CG-CG2 4.32Å; Q1021-T1023 PolarHBondContact O-N 2.91Å; T1023-L1025 PolarHBondContact O-N 2.95Å
1024N88Confident91.4Very high156 Ų15655 Ų5583%0.83431%0.305SS*.SBendtrans56.628.9179.9-54-28.3000114.4T975T975-N1024 PolarHBondContact O-N 2.88Å
1025L90.1Very high91.6Very high18 Ų1851.9 Ų51.99%0.09428%0.279CS..PPolyproline II helixtrans-77.5149173.3-56.9-179.7000110.9T975 A977 L1022 T1023 Y1031 F1052 T1054T975-L1025 WeakPolarHBondContact CA-O 3.46Å; T975-L1025 PolarHBondContact O-N 3.43Å; A977-L1025 HydrophobicContact CB-CD1 3.88Å; L1022-L1025 HydrophobicContact CB-CD1 3.94Å; L1022-L1025 HydrophobicContact CB-CD2 4.29Å; L1022-L1025 HydrophobicContact CB-CG 4.24Å; L1022-L1025 HydrophobicContact CD1-CD1 4.27Å; L1022-L1025 HydrophobicContact CD1-CD2 4.48Å; T1023-L1025 PolarHBondContact O-N 2.95Å; L1025-Y1031 HydrophobicContact CB-CE2 3.91Å; L1025-Y1031 HydrophobicContact CD2-CD1 4.48Å; L1025-Y1031 HydrophobicContact CD2-CD2 4.42Å; L1025-Y1031 HydrophobicContact CD2-CE1 4.19Å; L1025-Y1031 HydrophobicContact CD2-CE2 4.1Å; L1025-Y1031 HydrophobicContact CG-CE2 4.42Å; L1025-F1052 HydrophobicContact CD1-CE2 3.88Å; L1025-F1052 HydrophobicContact CD1-CZ 4.09Å; L1025-T1054 HydrophobicContact CB-CG2 3.9Å; L1025-T1054 HydrophobicContact CD1-CG2 3.69Å; L1025-T1054 HydrophobicContact CG-CG2 4.47Å
1026S87.3Confident91.7Very high54 Ų5453.4 Ų53.438%0.37828%0.279SS..PPolyproline II helixtrans-72.7131.6170.3-63.60000110.2T1029 Y1031 T1054S1026-T1029 WeakPolarHBondContact CB-OG1 3.38Å; S1026-T1029 PolarHBondContact O-N 3.46Å; S1026-Y1031 WeakPolarHBondContact CB-OH 3.43Å; S1026-Y1031 PolarHBondContact N-OH 3.21Å; S1026-Y1031 PolarHBondContact OG-OH 2.95Å; S1026-T1054 PolarHBondContact O-OG1 2.83Å
1027P87.2Confident91.8Very high35 Ų3550.3 Ų50.323%0.22725%0.254CS..THydrogen-bonded Turntrans-60.1142.5173.5-26.636.5000113S974 T975 T1029 V1057 G1088S974-P1027 WeakPolarHBondContact O-CA 3.19Å; T975-P1027 HydrophobicContact CG2-CG 4.31Å; P1027-T1029 PolarHBondContact O-N 2.87Å; P1027-V1057 HydrophobicContact CB-CB 4.4Å; P1027-V1057 HydrophobicContact CB-CG1 4.06Å; P1027-V1057 HydrophobicContact CB-CG2 3.75Å; P1027-V1057 HydrophobicContact CG-CG1 4.11Å; P1027-V1057 HydrophobicContact CG-CG2 3.86Å; P1027-G1088 WeakPolarHBondContact O-CA 3.33Å
1028G84.4Confident91.8Very high16 Ų1647.9 Ų47.917%0.16524%0.241CC..THydrogen-bonded Turntrans63.2-3.4-179.300000116.6T1053 T1054 M1055 G1088G1028-T1053 WeakPolarHBondContact O-CG2 3.42Å; G1028-T1054 VanDerWaalsContact CA-O 3.26Å; G1028-T1054 WeakPolarHBondContact CA-O 3.49Å; G1028-T1054 PolarHBondContact N-O 3.42Å; G1028-T1054 PolarHBondContact N-OG1 3.49Å; G1028-M1055 PolarHBondContact N-O 2.78Å; G1028-G1088 WeakPolarHBondContact CA-O 3.45Å
1029T89.1Confident91.6Very high23 Ų2342.2 Ų42.214%0.14122%0.222CC..  trans-74.1135.4179.2-68.50000111.1E1002 S1026 P1027 Y1031 T1053 T1054E1002-T1029 HydrophobicContact CB-CG2 4.25Å; E1002-T1029 HydrophobicContact CG-CG2 3.57Å; S1026-T1029 WeakPolarHBondContact CB-OG1 3.38Å; S1026-T1029 PolarHBondContact O-N 3.46Å; P1027-T1029 PolarHBondContact O-N 2.87Å; T1029-Y1031 HydrophobicContact CG2-CD2 4.07Å; T1029-Y1031 HydrophobicContact CG2-CE1 4.19Å; T1029-Y1031 HydrophobicContact CG2-CE2 3.57Å; T1029-Y1031 WeakPolarHBondContact O-CD2 3.38Å; T1029-T1053 WeakPolarHBondContact O-CA 3.44Å; T1029-T1054 PolarHBondContact N-OG1 2.93Å; T1029-T1054 PolarHBondContact O-N 2.99Å; T1029-T1054 VanDerWaalsContact O-N 3.17Å; T1029-T1054 PolarHBondContact O-OG1 2.96Å
1030A90.8Very high91.2Very high23 Ų2341.3 Ų41.319%0.1923%0.23CC..EExtended strand (participates in β ladder)trans-79.6118.4171.400000110K1003 F1052 T1053K1003-A1030 HydrophobicContact CB-CB 3.97Å; K1003-A1030 WeakPolarHBondContact CB-O 3.47Å; K1003-A1030 HydrophobicContact CD-CB 3.99Å; K1003-A1030 PolarHBondContact N-O 2.85Å; A1030-F1052 CarbonylContact C-O 3.53Å; A1030-T1053 HydrophobicContact CB-CG2 4.49Å
1031Y93Very high90.7Very high21 Ų2139.8 Ų39.88%0.08223%0.231CC..EExtended strand (participates in β ladder)trans-104.1143.8176.4-73.8-80000111.4V1000 E1002 L1025 S1026 T1029 V1051 F1052 T1054V1000-Y1031 HydrophobicContact CG1-CD1 3.73Å; V1000-Y1031 HydrophobicContact CG1-CG 4.36Å; E1002-Y1031 HydrophobicContact CB-CD1 4.49Å; E1002-Y1031 HydrophobicContact CB-CE1 4.21Å; L1025-Y1031 HydrophobicContact CB-CE2 3.91Å; L1025-Y1031 HydrophobicContact CD2-CD1 4.48Å; L1025-Y1031 HydrophobicContact CD2-CD2 4.42Å; L1025-Y1031 HydrophobicContact CD2-CE1 4.19Å; L1025-Y1031 HydrophobicContact CD2-CE2 4.1Å; L1025-Y1031 HydrophobicContact CG-CE2 4.42Å; S1026-Y1031 WeakPolarHBondContact CB-OH 3.43Å; S1026-Y1031 PolarHBondContact N-OH 3.21Å; S1026-Y1031 PolarHBondContact OG-OH 2.95Å; T1029-Y1031 HydrophobicContact CG2-CD2 4.07Å; T1029-Y1031 HydrophobicContact CG2-CE1 4.19Å; T1029-Y1031 HydrophobicContact CG2-CE2 3.57Å; T1029-Y1031 WeakPolarHBondContact O-CD2 3.38Å; Y1031-V1051 WeakPolarHBondContact O-CA 3.16Å; Y1031-F1052 HydrophobicContact CD2-CE2 4.12Å; Y1031-F1052 HydrophobicContact CD2-CZ 4.33Å; Y1031-F1052 HydrophobicContact CG-CE2 4.37Å; Y1031-F1052 HydrophobicContact CG-CZ 4.16Å; Y1031-F1052 PolarHBondContact N-O 3.05Å; Y1031-F1052 PolarHBondContact O-N 2.89Å; Y1031-F1052 VanDerWaalsContact O-N 3.11Å; Y1031-T1054 HydrophobicContact CD2-CG2 4.1Å; Y1031-T1054 HydrophobicContact CE2-CG2 4.11Å
1032Q94.5Very high90.5Very high43 Ų4337.7 Ų37.720%0.20123%0.229CC..EExtended strand (participates in β ladder)trans-104.4132.1166.5-64.7-165.2-66.200108.2V1000 K1001 K1003 W1009 V1049 V1051V1000-Q1032 CarbonylContact C-O 3.59Å; V1000-Q1032 VanDerWaalsContact CA-O 3.32Å; V1000-Q1032 WeakPolarHBondContact CA-O 3.39Å; K1001-Q1032 VanDerWaalsContact CE-OE1 3.31Å; K1001-Q1032 HydrophobicContact CG-CB 4.23Å; K1001-Q1032 PolarHBondContact N-O 3.49Å; K1001-Q1032 PolarHBondContact O-N 2.89Å; K1003-Q1032 HydrophobicContact CB-CG 3.93Å; K1003-Q1032 HydrophobicContact CG-CG 4.01Å; W1009-Q1032 HydrophobicContact CH2-CB 3.8Å; W1009-Q1032 HydrophobicContact CZ3-CB 4.05Å; Q1032-V1049 HydrophobicContact CB-CG1 3.67Å; Q1032-V1049 HydrophobicContact CG-CG1 4.03Å; Q1032-V1051 HydrophobicContact CG-CG2 4.35Å
1033C94Very high90.5Very high1 Ų142.1 Ų42.11%0.00725%0.25CC..EExtended strand (participates in β ladder)trans-129.1144176.462.40000110.4P966 Q999 V1000 V1049 G1050 F1052P966-C1033 HydrophobicContact CG-CB 4.39Å; Q999-C1033 CarbonylContact O-C 3.56Å; Q999-C1033 VanDerWaalsContact O-CA 3.27Å; Q999-C1033 WeakPolarHBondContact O-CA 3.23Å; V1000-C1033 HydrophobicContact CG2-CB 3.91Å; C1033-V1049 CarbonylContact O-C 3.45Å; C1033-V1049 WeakPolarHBondContact O-CA 3.41Å; C1033-G1050 PolarHBondContact N-O 2.82Å; C1033-G1050 PolarHBondContact O-N 2.79Å; C1033-G1050 PolarHBondContact SG-O 2.84Å; C1033-F1052 HydrophobicContact CB-CE1 4.26Å
1034R96Very high90.7Very high54 Ų5438.6 Ų38.620%0.20423%0.229CC..EExtended strand (participates in β ladder)trans-144.7143.5175.866.2-177.8-170.5170.32.3108.6Q999 W1009 F1046 V1049Q999-R1034 HydrophobicContact CB-CG 4Å; Q999-R1034 PolarHBondContact N-O 3.3Å; Q999-R1034 PolarHBondContact O-N 2.78Å; Q999-R1034 VanDerWaalsContact OE1-NE 3.08Å; W1009-R1034 HydrophobicContact CD2-CG 4.31Å; W1009-R1034 HydrophobicContact CE3-CG 3.8Å; W1009-R1034 HydrophobicContact CH2-CB 4.34Å; W1009-R1034 HydrophobicContact CH2-CG 3.99Å; W1009-R1034 HydrophobicContact CZ2-CG 4.49Å; W1009-R1034 HydrophobicContact CZ3-CB 4.2Å; W1009-R1034 HydrophobicContact CZ3-CG 3.63Å; R1034-F1046 HydrophobicContact CB-CB 4.41Å; R1034-F1046 HydrophobicContact CB-CD1 4.3Å; R1034-F1046 HydrophobicContact CG-CB 4.32Å; R1034-F1046 HydrophobicContact CG-CD1 3.59Å; R1034-F1046 HydrophobicContact CG-CE1 4.15Å; R1034-F1046 HydrophobicContact CG-CG 4.13Å; R1034-V1049 HydrophobicContact CB-CG2 4.5Å
1035V96.1Very high90.9Very high0 Ų035.3 Ų35.30%022%0.216CC..EExtended strand (participates in β ladder)trans-117.2145.3177.363.60000109.3P963 P966 W981 Y996 T997 L998 F1046 S1047P963-V1035 HydrophobicContact CB-CG1 3.81Å; P963-V1035 HydrophobicContact CG-CG1 3.99Å; P963-V1035 HydrophobicContact CG-CG2 4.4Å; P966-V1035 HydrophobicContact CB-CG1 4.48Å; P966-V1035 HydrophobicContact CG-CG1 4.42Å; W981-V1035 HydrophobicContact CB-CG1 3.91Å; W981-V1035 HydrophobicContact CD2-CB 4.38Å; W981-V1035 HydrophobicContact CD2-CG1 4.41Å; W981-V1035 HydrophobicContact CD2-CG2 4Å; W981-V1035 HydrophobicContact CG-CB 4.35Å; W981-V1035 HydrophobicContact CG-CG1 3.89Å; W981-V1035 HydrophobicContact CG-CG2 4.12Å; W981-V1035 HydrophobicContact CZ2-CG2 4.32Å; Y996-V1035 HydrophobicContact CD1-CG2 4.23Å; T997-V1035 WeakPolarHBondContact O-CA 3.12Å; L998-V1035 HydrophobicContact CD1-CB 4.1Å; V1035-F1046 CarbonylContact O-C 3.59Å; V1035-F1046 WeakPolarHBondContact O-CA 3.47Å; V1035-S1047 PolarHBondContact N-OG 2.83Å; V1035-S1047 WeakPolarHBondContact O-CB 3.23Å; V1035-S1047 PolarHBondContact O-N 2.61Å; V1035-S1047 PolarHBondContact O-OG 3.34Å
1036R95.6Very high91.1Very high48 Ų4837 Ų3718%0.18122%0.222CC..EExtended strand (participates in β ladder)trans-125.7166.4161.663.9176.3-177168.815.4108.6Y996 T997 E1043 F1046Y996-R1036 CarbonylContact C-O 3.47Å; Y996-R1036 WeakPolarHBondContact CA-O 3.37Å; T997-R1036 PolarHBondContact N-O 2.81Å; T997-R1036 PolarHBondContact O-N 3.42Å; R1036-E1043 IonicContact CZ-OE1 2.73Å; R1036-E1043 IonicContact CZ-OE2 2.85Å; R1036-E1043 VanDerWaalsContact NH1-CD 3.33Å; R1036-E1043 IonicContact NH1-OE1 2.71Å; R1036-E1043 IonicContact NH1-OE2 2.69Å; R1036-E1043 PolarHBondContact NH1-OE2 2.9Å; R1036-E1043 IonicContact NH2-OE1 3.97Å; R1036-E1043 PolarHBondContact NH2-OE1 3.18Å; R1036-E1043 IonicContact NH2-OE2 3.18Å; R1036-E1043 PolarHBondContact NH2-OE2 3.44Å; R1036-E1043 VanDerWaalsContact NH2-OE2 3.12Å; R1036-F1046 HydrophobicContact CB-CD1 3.72Å; R1036-F1046 HydrophobicContact CB-CE1 3.98Å; R1036-F1046 HydrophobicContact CB-CG 4.17Å; R1036-F1046 VanDerWaalsContact CD-CZ 3.49Å; R1036-F1046 HydrophobicContact CG-CD1 3.88Å; R1036-F1046 HydrophobicContact CG-CE1 3.58Å; R1036-F1046 HydrophobicContact CG-CZ 4.06Å
1037C93.9Very high91.5Very high0 Ų034.8 Ų34.80%021%0.207CC..EExtended strand (participates in β ladder)trans-130.1159174.970.20000110P963 V993 E995 Y996 S1044P963-C1037 HydrophobicContact CG-CB 3.82Å; V993-C1037 HydrophobicContact CB-CB 4.34Å; V993-C1037 HydrophobicContact CG1-CB 3.62Å; V993-C1037 HydrophobicContact CG2-CB 4.34Å; E995-C1037 CarbonylContact O-C 3.59Å; E995-C1037 VanDerWaalsContact O-CA 3.23Å; E995-C1037 WeakPolarHBondContact O-CA 3.21Å; Y996-C1037 HydrophobicContact CD1-CB 3.51Å; Y996-C1037 HydrophobicContact CE1-CB 3.63Å; Y996-C1037 HydrophobicContact CG-CB 4.17Å; C1037-S1044 PolarHBondContact N-OG 3.15Å; C1037-S1044 WeakPolarHBondContact O-CB 3.17Å; C1037-S1044 PolarHBondContact O-N 3.3Å; C1037-S1044 PolarHBondContact O-OG 2.85Å
1038K91.7Very high91.8Very high79 Ų7939.2 Ų39.234%0.34323%0.229SC..EExtended strand (participates in β ladder)trans-133.7112.1-173.7168.5-176.3144.4-1510107.5V993 D994 E995 G1042 E1043V993-K1038 WeakPolarHBondContact CG1-O 3.48Å; D994-K1038 WeakPolarHBondContact CB-O 3.15Å; D994-K1038 PolarHBondContact N-O 3.33Å; D994-K1038 VanDerWaalsContact N-O 3.15Å; E995-K1038 HydrophobicContact CB-CB 4.37Å; E995-K1038 PolarHBondContact N-O 2.74Å; E995-K1038 PolarHBondContact O-N 3.42Å; E995-K1038 IonicContact OE2-NZ 3.13Å; E995-K1038 PolarHBondContact OE2-NZ 2.83Å; K1038-G1042 WeakPolarHBondContact CA-O 3.32Å; K1038-E1043 HydrophobicContact CB-CG 4.31Å; K1038-E1043 HydrophobicContact CD-CG 4.32Å; K1038-E1043 HydrophobicContact CG-CG 4.23Å
1039G89.5Confident92.2Very high6 Ų641.2 Ų41.26%0.06224%0.238CC..EExtended strand (participates in β ladder)trans-106.7-178.2173.300000110.5D994 G1041 G1042D994-G1039 WeakPolarHBondContact OD2-CA 3.43Å; G1039-G1041 PolarHBondContact O-N 2.79Å; G1039-G1042 PolarHBondContact N-O 3.11Å; G1039-G1042 VanDerWaalsContact N-O 3.1Å; G1039-G1042 PolarHBondContact O-N 3.06Å
1040A85.2Confident92.3Very high73 Ų7340.4 Ų40.460%0.60323%0.234SC*.THydrogen-bonded Turntrans-57.2-21178.900000114.5P957 D994P957-A1040 HydrophobicContact CG-CB 3.77Å; D994-A1040 PolarHBondContact OD2-N 2.63Å; D994-A1040 VanDerWaalsContact OD2-N 3.08Å
1041G83.4Confident92.4Very high28 Ų2843.1 Ų43.129%0.28925%0.248SC..THydrogen-bonded Turntrans-92.15.5174.900000115.4P957 T958 A959 G1039P957-G1041 WeakPolarHBondContact O-CA 3.42Å; T958-G1041 WeakPolarHBondContact O-CA 3.38Å; A959-G1041 PolarHBondContact N-O 3.48Å; A959-G1041 VanDerWaalsContact N-O 3.14Å; G1039-G1041 PolarHBondContact O-N 2.79Å
1042G88.8Confident92.3Very high30 Ų3042.9 Ų42.931%0.30925%0.247SC..EExtended strand (participates in β ladder)trans114.5-170176.300000114.7P960 K1038 G1039P960-G1042 WeakPolarHBondContact CD-O 3.21Å; K1038-G1042 WeakPolarHBondContact CA-O 3.32Å; G1039-G1042 PolarHBondContact N-O 3.11Å; G1039-G1042 VanDerWaalsContact N-O 3.1Å; G1039-G1042 PolarHBondContact O-N 3.06Å
1043E92.2Very high92.2Very high98 Ų9844.5 Ų44.546%0.45826%0.26SS..EExtended strand (participates in β ladder)trans-83.9130.9-178.2-53.4-173.7138.600111.1R1036 K1038R1036-E1043 IonicContact CZ-OE1 2.73Å; R1036-E1043 IonicContact CZ-OE2 2.85Å; R1036-E1043 VanDerWaalsContact NH1-CD 3.33Å; R1036-E1043 IonicContact NH1-OE1 2.71Å; R1036-E1043 IonicContact NH1-OE2 2.69Å; R1036-E1043 PolarHBondContact NH1-OE2 2.9Å; R1036-E1043 IonicContact NH2-OE1 3.97Å; R1036-E1043 PolarHBondContact NH2-OE1 3.18Å; R1036-E1043 IonicContact NH2-OE2 3.18Å; R1036-E1043 PolarHBondContact NH2-OE2 3.44Å; R1036-E1043 VanDerWaalsContact NH2-OE2 3.12Å; K1038-E1043 HydrophobicContact CB-CG 4.31Å; K1038-E1043 HydrophobicContact CD-CG 4.32Å; K1038-E1043 HydrophobicContact CG-CG 4.23Å
1044S93.6Very high92Very high5 Ų544.6 Ų44.64%0.03526%0.261CS..PPolyproline II helixtrans-66158.3172.3790000111.4P960 S961 C1037P960-S1044 WeakPolarHBondContact O-CB 3.33Å; S961-S1044 WeakPolarHBondContact O-CB 3.43Å; C1037-S1044 PolarHBondContact N-OG 3.15Å; C1037-S1044 WeakPolarHBondContact O-CB 3.17Å; C1037-S1044 PolarHBondContact O-N 3.3Å; C1037-S1044 PolarHBondContact O-OG 2.85Å
1045P93.2Very high91.6Very high86 Ų8647 Ų4756%0.55828%0.276SS*.PPolyproline II helixtrans-51.5151.7155.2-22.133.8000110.6C962C962-P1045 WeakPolarHBondContact CA-O 3.09Å; C962-P1045 HydrophobicContact CB-CB 4.48Å; C962-P1045 WeakPolarHBondContact CB-O 3.46Å
1046F94.5Very high91.1Very high54 Ų5448 Ų4824%0.23728%0.284CS..PPolyproline II helixtrans-65.6148.9169.1-71.9-82.7000110.6Q999 R1034 V1035 R1036Q999-F1046 HydrophobicContact CB-CE1 4.35Å; Q999-F1046 HydrophobicContact CG-CE1 3.95Å; Q999-F1046 HydrophobicContact CG-CZ 4.36Å; R1034-F1046 HydrophobicContact CB-CB 4.41Å; R1034-F1046 HydrophobicContact CB-CD1 4.3Å; R1034-F1046 HydrophobicContact CG-CB 4.32Å; R1034-F1046 HydrophobicContact CG-CD1 3.59Å; R1034-F1046 HydrophobicContact CG-CE1 4.15Å; R1034-F1046 HydrophobicContact CG-CG 4.13Å; V1035-F1046 CarbonylContact O-C 3.59Å; V1035-F1046 WeakPolarHBondContact O-CA 3.47Å; R1036-F1046 HydrophobicContact CB-CD1 3.72Å; R1036-F1046 HydrophobicContact CB-CE1 3.98Å; R1036-F1046 HydrophobicContact CB-CG 4.17Å; R1036-F1046 VanDerWaalsContact CD-CZ 3.49Å; R1036-F1046 HydrophobicContact CG-CD1 3.88Å; R1036-F1046 HydrophobicContact CG-CE1 3.58Å; R1036-F1046 HydrophobicContact CG-CZ 4.06Å
1047S95.5Very high90.7Very high8 Ų848.2 Ų48.26%0.05629%0.29CS..PPolyproline II helixtrans-56.1165.2167.1710000111.9P963 P966 V1035P963-S1047 WeakPolarHBondContact O-CB 3.12Å; P966-S1047 WeakPolarHBondContact CD-OG 3.39Å; V1035-S1047 PolarHBondContact N-OG 2.83Å; V1035-S1047 WeakPolarHBondContact O-CB 3.23Å; V1035-S1047 PolarHBondContact O-N 2.61Å; V1035-S1047 PolarHBondContact O-OG 3.34Å
1048D92.3Very high90.4Very high127 Ų12753.2 Ų53.268%0.67931%0.314SS*.PPolyproline II helixtrans-51.7152.6156.8-75.6-40.7000110.8T965 G1050T965-D1048 HydrophobicContact CG2-CB 4.09Å; D1048-G1050 PolarHBondContact O-N 3Å
1049V93.5Very high90.3Very high58 Ų5849.7 Ų49.735%0.35230%0.299SS..  trans-81.7108.2-175.6177.60000110.2W1009 Q1032 C1033 R1034 V1051W1009-V1049 HydrophobicContact CH2-CG1 3.93Å; W1009-V1049 HydrophobicContact CH2-CG2 3.87Å; W1009-V1049 HydrophobicContact CZ2-CG2 4.2Å; Q1032-V1049 HydrophobicContact CB-CG1 3.67Å; Q1032-V1049 HydrophobicContact CG-CG1 4.03Å; C1033-V1049 CarbonylContact O-C 3.45Å; C1033-V1049 WeakPolarHBondContact O-CA 3.41Å; R1034-V1049 HydrophobicContact CB-CG2 4.5Å; V1049-V1051 HydrophobicContact CG1-CG2 4.15Å
1050G91.7Very high90.2Very high7 Ų750 Ų507%0.07230%0.302CS..EExtended strand (participates in β ladder)trans-67134.9165.100000110.4P966 C1033 D1048P966-G1050 WeakPolarHBondContact O-CA 3.2Å; C1033-G1050 PolarHBondContact N-O 2.82Å; C1033-G1050 PolarHBondContact O-N 2.79Å; C1033-G1050 PolarHBondContact SG-O 2.84Å; D1048-G1050 PolarHBondContact O-N 3Å
1051V92.8Very high90.5Very high79 Ų7950.1 Ų50.148%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-123.4129.3178.8-174.40000109.3K1003 Y1031 Q1032 V1049K1003-V1051 HydrophobicContact CD-CG1 4.32Å; Y1031-V1051 WeakPolarHBondContact O-CA 3.16Å; Q1032-V1051 HydrophobicContact CG-CG2 4.35Å; V1049-V1051 HydrophobicContact CG1-CG2 4.15Å
1052F91.6Very high90.9Very high16 Ų1648.9 Ų48.97%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-140155.1174.168.4-86.7000110.4V968 L972 A977 I979 L1022 L1025 A1030 Y1031 C1033 T1054V968-F1052 HydrophobicContact CG2-CB 3.53Å; V968-F1052 HydrophobicContact CG2-CD1 4.05Å; V968-F1052 HydrophobicContact CG2-CD2 4.04Å; V968-F1052 HydrophobicContact CG2-CG 3.61Å; L972-F1052 HydrophobicContact CD1-CD2 4.21Å; A977-F1052 HydrophobicContact CB-CD2 4.31Å; A977-F1052 HydrophobicContact CB-CE2 3.7Å; A977-F1052 HydrophobicContact CB-CZ 4.1Å; I979-F1052 HydrophobicContact CD1-CD1 4.01Å; I979-F1052 HydrophobicContact CD1-CE1 3.66Å; I979-F1052 HydrophobicContact CD1-CZ 4.06Å; L1022-F1052 HydrophobicContact CD1-CE1 4.15Å; L1022-F1052 HydrophobicContact CD1-CZ 3.67Å; L1025-F1052 HydrophobicContact CD1-CE2 3.88Å; L1025-F1052 HydrophobicContact CD1-CZ 4.09Å; A1030-F1052 CarbonylContact C-O 3.53Å; Y1031-F1052 HydrophobicContact CD2-CE2 4.12Å; Y1031-F1052 HydrophobicContact CD2-CZ 4.33Å; Y1031-F1052 HydrophobicContact CG-CE2 4.37Å; Y1031-F1052 HydrophobicContact CG-CZ 4.16Å; Y1031-F1052 PolarHBondContact N-O 3.05Å; Y1031-F1052 PolarHBondContact O-N 2.89Å; Y1031-F1052 VanDerWaalsContact O-N 3.11Å; C1033-F1052 HydrophobicContact CB-CE1 4.26Å; F1052-T1054 HydrophobicContact CE2-CG2 4.05Å
1053T90.4Very high91Very high77 Ų7753.1 Ų53.147%0.47229%0.293SS..EExtended strand (participates in β ladder)trans-120.8117.8176.4-55.10000107.7L972 G1028 T1029 A1030L972-T1053 WeakPolarHBondContact CD2-O 3.22Å; G1028-T1053 WeakPolarHBondContact O-CG2 3.42Å; T1029-T1053 WeakPolarHBondContact O-CA 3.44Å; A1030-T1053 HydrophobicContact CB-CG2 4.49Å
1054T90Very high90.9Very high4 Ų452.3 Ų52.33%0.02530%0.295CS..PPolyproline II helixtrans-57.2156.9179.248.50000111.2S974 L1025 S1026 G1028 T1029 Y1031 F1052 A1056S974-T1054 VanDerWaalsContact O-CB 3.3Å; S974-T1054 WeakPolarHBondContact O-CB 3.48Å; L1025-T1054 HydrophobicContact CB-CG2 3.9Å; L1025-T1054 HydrophobicContact CD1-CG2 3.69Å; L1025-T1054 HydrophobicContact CG-CG2 4.47Å; S1026-T1054 PolarHBondContact O-OG1 2.83Å; G1028-T1054 VanDerWaalsContact CA-O 3.26Å; G1028-T1054 WeakPolarHBondContact CA-O 3.49Å; G1028-T1054 PolarHBondContact N-O 3.42Å; G1028-T1054 PolarHBondContact N-OG1 3.49Å; T1029-T1054 PolarHBondContact N-OG1 2.93Å; T1029-T1054 PolarHBondContact O-N 2.99Å; T1029-T1054 VanDerWaalsContact O-N 3.17Å; T1029-T1054 PolarHBondContact O-OG1 2.96Å; Y1031-T1054 HydrophobicContact CD2-CG2 4.1Å; Y1031-T1054 HydrophobicContact CE2-CG2 4.11Å; F1052-T1054 HydrophobicContact CE2-CG2 4.05Å; T1054-A1056 PolarHBondContact O-N 3.4Å
1055M88.4Confident90.9Very high104 Ų10452.2 Ų52.251%0.51229%0.294SS..PPolyproline II helixtrans-63.8133.6175.3-67.1-163.77100110.2H973 S974 G1028H973-M1055 PolarHBondContact O-N 3.23Å; S974-M1055 WeakPolarHBondContact CA-O 3.26Å; S974-M1055 WeakPolarHBondContact CB-O 3.39Å; G1028-M1055 PolarHBondContact N-O 2.78Å
1056A84.9Confident90.9Very high20 Ų2052 Ų5217%0.16529%0.292CS..PPolyproline II helixtrans-63.9143.5166.500000109.8T1054 G1087 A1089 I1153 A1154T1054-A1056 PolarHBondContact O-N 3.4Å; A1056-G1087 CarbonylContact C-O 3.52Å; A1056-G1087 WeakPolarHBondContact CA-O 3.49Å; A1056-G1087 WeakPolarHBondContact CB-O 3.45Å; A1056-A1089 HydrophobicContact CB-CB 3.76Å; A1056-I1153 HydrophobicContact CB-CD1 4.49Å; A1056-I1153 HydrophobicContact CB-CG1 4.31Å; A1056-A1154 HydrophobicContact CB-CB 4.21Å; A1056-A1154 VanDerWaalsContact O-CB 3.26Å; A1056-A1154 WeakPolarHBondContact O-CB 3.49Å
1057V87.5Confident90.8Very high53 Ų5352.4 Ų52.432%0.32130%0.295SS..PPolyproline II helixtrans-98.7171.3168.1-65.30000110S974 P1027 G1087 N1152S974-V1057 WeakPolarHBondContact OG-CG1 3.21Å; P1027-V1057 HydrophobicContact CB-CB 4.4Å; P1027-V1057 HydrophobicContact CB-CG1 4.06Å; P1027-V1057 HydrophobicContact CB-CG2 3.75Å; P1027-V1057 HydrophobicContact CG-CG1 4.11Å; P1027-V1057 HydrophobicContact CG-CG2 3.86Å; V1057-G1087 PolarHBondContact N-O 3.01Å; V1057-G1087 WeakPolarHBondContact O-CA 3.49Å; V1057-N1152 PolarHBondContact O-ND2 2.9Å
1058H88.8Confident90.4Very high106 Ų10653.8 Ų53.849%0.49131%0.307SS..PPolyproline II helixtrans-57.1145167.4-51.8-46.8000110.8A1154 G1155 Q1156H1058-A1154 PolarHBondContact CE1-O 2.87Å; H1058-A1154 PolarHBondContact ND1-O 2.86Å; H1058-G1155 WeakPolarHBondContact ND1-CA 2.95Å; H1058-G1155 PolarHBondContact ND1-N 3.45Å; H1058-Q1156 WeakPolarHBondContact CB-O 3.41Å
1059P89.7Confident90Very high4 Ų450.3 Ų50.33%0.02630%0.302CS..PPolyproline II helixtrans-58.5150.3178.4-26.637.4000112.9P1083 I1091 A1150 N1152 G1157 A1158P1059-P1083 HydrophobicContact CB-CG 4.32Å; P1059-I1091 HydrophobicContact CB-CD1 3.92Å; P1059-I1091 HydrophobicContact CG-CD1 3.58Å; P1059-A1150 HydrophobicContact CB-CB 3.97Å; P1059-A1150 HydrophobicContact CG-CB 4.26Å; P1059-A1150 WeakPolarHBondContact CG-O 3.21Å; P1059-N1152 HydrophobicContact CG-CB 3.85Å; P1059-G1157 VanDerWaalsContact O-CA 3.25Å; P1059-G1157 WeakPolarHBondContact O-CA 3.42Å; P1059-A1158 PolarHBondContact O-N 3.43Å
1060G86.8Confident89.6Confident12 Ų1256.9 Ų56.912%0.12433%0.326CS..PPolyproline II helixtrans-61.6165.217000000112.1V1062 P1083 T1085G1060-V1062 PolarHBondContact O-N 2.87Å; G1060-P1083 WeakPolarHBondContact O-CB 3.35Å; G1060-P1083 WeakPolarHBondContact O-CG 3.4Å; G1060-T1085 PolarHBondContact N-O 2.77Å
1061P90.2Very high89.5Confident76 Ų7658.4 Ų58.449%0.49433%0.333SS..PPolyproline II helixtrans-60.3137.9178.426-33.8000110.9A1158P1061-A1158 HydrophobicContact CB-CB 4.09Å
1062V92.6Very high89.3Confident3 Ų360.5 Ų60.52%0.01834%0.336CS..PPolyproline II helixtrans-67.4136.6168.1176.60000107.8G1060 W1080 P1083 Y1094 V1148 A1150 S1160G1060-V1062 PolarHBondContact O-N 2.87Å; V1062-W1080 HydrophobicContact CG1-CB 3.7Å; V1062-W1080 HydrophobicContact CG1-CG 4.01Å; V1062-P1083 HydrophobicContact CG2-CG 3.85Å; V1062-Y1094 HydrophobicContact CG2-CD1 4.25Å; V1062-Y1094 HydrophobicContact CG2-CE1 4.22Å; V1062-V1148 HydrophobicContact CB-CB 4.47Å; V1062-V1148 HydrophobicContact CG1-CB 4.33Å; V1062-V1148 HydrophobicContact CG1-CG1 4.36Å; V1062-V1148 HydrophobicContact CG2-CG1 4.33Å; V1062-A1150 HydrophobicContact CG2-CB 4.08Å; V1062-S1160 VanDerWaalsContact O-CA 3.28Å; V1062-S1160 WeakPolarHBondContact O-CA 3.38Å; V1062-S1160 WeakPolarHBondContact O-CB 3.08Å
1063K90.3Very high88.9Confident119 Ų11960.9 Ų60.952%0.51734%0.342SS..PPolyproline II helixtrans-60.9148173.6-69-168.8178.4-1770110.2E1084K1063-E1084 WeakPolarHBondContact CE-OE1 3.39Å; K1063-E1084 IonicContact NZ-OE1 3.89Å; K1063-E1084 PolarHBondContact NZ-OE1 3.15Å
1064V91.7Very high88.8Confident81 Ų8160.6 Ų60.649%0.49134%0.34SS..  trans-43.4123-175.964.40000111.1E1161 L1163V1064-E1161 HydrophobicContact CB-CB 4.3Å; V1064-L1163 HydrophobicContact CG2-CB 4.4Å
1065P92.1Very high88.7Confident3 Ų360.4 Ų60.42%0.01934%0.339CS..  trans-69.8153-171.828.3-35.3000110.8V1078 W1080 L1146 V1148 L1163P1065-V1078 HydrophobicContact CB-CG1 3.77Å; P1065-V1078 HydrophobicContact CG-CG1 4.46Å; P1065-W1080 HydrophobicContact CB-CB 4.25Å; P1065-L1146 HydrophobicContact CB-CD2 4.27Å; P1065-L1146 HydrophobicContact CG-CD2 3.54Å; P1065-V1148 HydrophobicContact CB-CG2 4.01Å; P1065-V1148 HydrophobicContact CG-CG2 3.98Å; P1065-L1163 HydrophobicContact CG-CB 3.7Å; P1065-L1163 HydrophobicContact CG-CD2 4.2Å
1066T93.3Very high88.9Confident82 Ų8255.6 Ų55.650%0.50332%0.316SS..EExtended strand (participates in β ladder)trans-111150.2-173.1660000111.5A1068 V1078 K1079T1066-A1068 PolarHBondContact O-N 3.09Å; T1066-V1078 CarbonylContact O-C 3.52Å; T1066-V1078 WeakPolarHBondContact O-CA 3.37Å; T1066-K1079 WeakPolarHBondContact CA-O 3.39Å; T1066-K1079 PolarHBondContact N-O 3.29Å; T1066-K1079 PolarHBondContact O-N 2.64Å; T1066-K1079 PolarHBondContact OG1-O 3.29Å
1067I93.7Very high89.3Confident61 Ų6156.9 Ų56.931%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-88.4109.9178.2-54.9-179.7000109.1G1069 V1071 V1076 H1077 L1163 F1165I1067-G1069 WeakPolarHBondContact CG2-O 3.25Å; I1067-G1069 PolarHBondContact O-N 2.85Å; I1067-V1071 HydrophobicContact CD1-CG2 3.78Å; I1067-V1071 HydrophobicContact CG2-CG2 3.92Å; I1067-V1076 HydrophobicContact CG1-CG2 4.48Å; I1067-V1076 HydrophobicContact CG2-CG2 3.89Å; I1067-H1077 CarbonylContact C-O 3.52Å; I1067-H1077 WeakPolarHBondContact CA-O 3.27Å; I1067-L1163 HydrophobicContact CD1-CD2 4.45Å; I1067-L1163 HydrophobicContact CG1-CD1 4.47Å; I1067-L1163 HydrophobicContact CG1-CD2 3.89Å; I1067-F1165 HydrophobicContact CD1-CB 3.91Å; I1067-F1165 HydrophobicContact CD1-CG 4.45Å
1068A85.5Confident89.6Confident38 Ų3854.4 Ų54.431%0.31430%0.303SS..  trans-85.451.4-176.300000112.4T1066 H1077 K1079T1066-A1068 PolarHBondContact O-N 3.09Å; A1068-H1077 VanDerWaalsContact CB-ND1 3.33Å; A1068-H1077 WeakPolarHBondContact CB-ND1 3.36Å; A1068-H1077 PolarHBondContact N-O 2.88Å; A1068-H1077 PolarHBondContact O-ND1 3.35Å; A1068-K1079 HydrophobicContact CB-CB 3.8Å
1069G85.1Confident89.9Confident54 Ų5453.3 Ų53.356%0.55730%0.297SS*.SBendtrans153.5-164.8178.300000113.2I1067I1067-G1069 WeakPolarHBondContact CG2-O 3.25Å; I1067-G1069 PolarHBondContact O-N 2.85Å
1070K85.6Confident90.2Very high196 Ų19653.3 Ų53.385%0.85230%0.296SS*.PPolyproline II helixtrans-81.2134166.8-66.9-173178-174.90109.6K1072K1070-K1072 PolarHBondContact O-N 3.15Å
1071V88.1Confident90.4Very high38 Ų3858.1 Ų58.123%0.2332%0.319CS..PPolyproline II helixtrans-62.7133.7169.6-166.70000108.8I1067 V1076 F1165I1067-V1071 HydrophobicContact CD1-CG2 3.78Å; I1067-V1071 HydrophobicContact CG2-CG2 3.92Å; V1071-V1076 HydrophobicContact CG1-CB 4.32Å; V1071-V1076 HydrophobicContact CG1-CG2 4.3Å; V1071-V1076 HydrophobicContact CG2-CG2 4.31Å; V1071-F1165 HydrophobicContact CG1-CD2 4.11Å; V1071-F1165 HydrophobicContact CG1-CE2 4.36Å
1072K88.2Confident90.4Very high123 Ų12359.4 Ų59.454%0.53532%0.318SS..PPolyproline II helixtrans-96173.9176.8-55.8178.4-176.9174.40109.7K1070 G1075 A1168K1070-K1072 PolarHBondContact O-N 3.15Å; K1072-G1075 WeakPolarHBondContact CA-O 3.49Å; K1072-G1075 WeakPolarHBondContact CB-O 3.09Å; K1072-G1075 PolarHBondContact N-O 3.08Å; K1072-A1168 PolarHBondContact O-N 2.84Å; K1072-A1168 VanDerWaalsContact O-N 3.13Å
1073A84.9Confident90.3Very high24 Ų2459.6 Ų59.620%0.19832%0.32CS..SBendtrans-65.4-41.5174.100000112.2P1140 T1167 A1168A1073-P1140 HydrophobicContact CB-CB 4.09Å; A1073-P1140 HydrophobicContact CB-CG 4.19Å; A1073-P1140 VanDerWaalsContact O-CA 3.31Å; A1073-P1140 WeakPolarHBondContact O-CA 3.44Å; A1073-T1167 WeakPolarHBondContact O-CB 3.32Å; A1073-A1168 VanDerWaalsContact CA-O 3.27Å; A1073-A1168 WeakPolarHBondContact CA-O 3.5Å
1074T86.9Confident90.1Very high72 Ų7261.3 Ų61.344%0.44233%0.33SS..SBendtrans-112.116.2-173.753.20000114.2Q1136 L1137 L1138 P1140T1074-Q1136 CarbonylContact O-C 3.5Å; T1074-Q1136 WeakPolarHBondContact O-CA 3.42Å; T1074-L1137 PolarHBondContact O-N 2.69Å; T1074-L1138 WeakPolarHBondContact CA-O 3.38Å; T1074-L1138 PolarHBondContact O-N 3.25Å; T1074-P1140 HydrophobicContact CG2-CG 4.27Å
1075G88.5Confident89.8Confident0 Ų061.8 Ų61.80%033%0.333CS..EExtended strand (participates in β ladder)trans178.6166.7-179.600000116K1072 I1135K1072-G1075 WeakPolarHBondContact CA-O 3.49Å; K1072-G1075 WeakPolarHBondContact CB-O 3.09Å; K1072-G1075 PolarHBondContact N-O 3.08Å; G1075-I1135 CarbonylContact C-O 3.53Å; G1075-I1135 WeakPolarHBondContact CA-O 3.3Å
1076V93.3Very high89.6Confident3 Ų363.7 Ų63.72%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-139.6146.6-17864.90000110.3I1067 V1071 V1078 I1135 L1138 F1165I1067-V1076 HydrophobicContact CG1-CG2 4.48Å; I1067-V1076 HydrophobicContact CG2-CG2 3.89Å; V1071-V1076 HydrophobicContact CG1-CB 4.32Å; V1071-V1076 HydrophobicContact CG1-CG2 4.3Å; V1071-V1076 HydrophobicContact CG2-CG2 4.31Å; V1076-V1078 HydrophobicContact CB-CG2 4.34Å; V1076-V1078 HydrophobicContact CG1-CG2 3.72Å; V1076-V1078 HydrophobicContact CG2-CG2 3.79Å; V1076-I1135 HydrophobicContact CG1-CB 3.99Å; V1076-I1135 HydrophobicContact CG1-CD1 4.18Å; V1076-I1135 PolarHBondContact N-O 3.06Å; V1076-I1135 PolarHBondContact O-N 3.43Å; V1076-L1138 HydrophobicContact CG1-CD1 4.03Å; V1076-F1165 HydrophobicContact CB-CE2 3.94Å; V1076-F1165 HydrophobicContact CB-CZ 4.19Å; V1076-F1165 HydrophobicContact CG1-CE1 4.32Å; V1076-F1165 HydrophobicContact CG1-CE2 3.87Å; V1076-F1165 HydrophobicContact CG1-CZ 3.59Å; V1076-F1165 HydrophobicContact CG2-CD2 4.41Å; V1076-F1165 HydrophobicContact CG2-CE2 4.21Å
1077H93.5Very high89Confident47 Ų4760 Ų6022%0.21832%0.323CS..EExtended strand (participates in β ladder)trans-104.7121.4169.8-173-147000108.1I1067 A1068 C1133 N1134I1067-H1077 CarbonylContact C-O 3.52Å; I1067-H1077 WeakPolarHBondContact CA-O 3.27Å; A1068-H1077 VanDerWaalsContact CB-ND1 3.33Å; A1068-H1077 WeakPolarHBondContact CB-ND1 3.36Å; A1068-H1077 PolarHBondContact N-O 2.88Å; A1068-H1077 PolarHBondContact O-ND1 3.35Å; H1077-C1133 PolarHBondContact CD2-O 2.99Å; H1077-N1134 WeakPolarHBondContact CB-OD1 3.4Å; H1077-N1134 PolarHBondContact CD2-ND2 3Å; H1077-N1134 PolarHBondContact CD2-OD1 3.1Å; H1077-N1134 VanDerWaalsContact CD2-OD1 3.27Å; H1077-N1134 PolarHBondContact NE2-ND2 3.12Å
1078V93.7Very high88.4Confident0 Ų058.6 Ų58.60%032%0.324CS..EExtended strand (participates in β ladder)trans-124.7135.5-171.4-175.90000109.3P1065 T1066 V1076 W1080 E1132 C1133 I1135 L1146 L1163P1065-V1078 HydrophobicContact CB-CG1 3.77Å; P1065-V1078 HydrophobicContact CG-CG1 4.46Å; T1066-V1078 CarbonylContact O-C 3.52Å; T1066-V1078 WeakPolarHBondContact O-CA 3.37Å; V1076-V1078 HydrophobicContact CB-CG2 4.34Å; V1076-V1078 HydrophobicContact CG1-CG2 3.72Å; V1076-V1078 HydrophobicContact CG2-CG2 3.79Å; V1078-W1080 HydrophobicContact CB-CZ3 4.48Å; V1078-W1080 HydrophobicContact CG1-CE3 4.19Å; V1078-W1080 HydrophobicContact CG1-CZ3 4.25Å; V1078-W1080 WeakPolarHBondContact O-CZ3 3.4Å; V1078-E1132 CarbonylContact O-C 3.58Å; V1078-E1132 VanDerWaalsContact O-CA 3.24Å; V1078-E1132 WeakPolarHBondContact O-CA 3.48Å; V1078-C1133 PolarHBondContact N-O 2.6Å; V1078-C1133 PolarHBondContact O-N 2.96Å; V1078-I1135 HydrophobicContact CG2-CD1 4.45Å; V1078-L1146 HydrophobicContact CG1-CD1 4.32Å; V1078-L1146 HydrophobicContact CG1-CD2 4.03Å; V1078-L1146 HydrophobicContact CG2-CD1 3.93Å; V1078-L1163 HydrophobicContact CG1-CD2 4.38Å
1079K94.7Very high88.3Confident84 Ų8457.5 Ų57.537%0.36532%0.315SS..EExtended strand (participates in β ladder)trans-137.2137.7-176.8179.5167.5-169.9137.80111T1066 A1068 M1131 E1132T1066-K1079 WeakPolarHBondContact CA-O 3.39Å; T1066-K1079 PolarHBondContact N-O 3.29Å; T1066-K1079 PolarHBondContact O-N 2.64Å; T1066-K1079 PolarHBondContact OG1-O 3.29Å; A1068-K1079 HydrophobicContact CB-CB 3.8Å; K1079-M1131 WeakPolarHBondContact CA-O 3.22Å; K1079-E1132 HydrophobicContact CB-CB 4.08Å; K1079-E1132 HydrophobicContact CD-CB 4.5Å; K1079-E1132 HydrophobicContact CG-CB 4.14Å; K1079-E1132 IonicContact NZ-OE2 3.68Å; K1079-E1132 PolarHBondContact NZ-OE2 2.88Å
1080W94.8Very high88.4Confident4 Ų463.4 Ų63.42%0.01533%0.328CS..  trans-128.7-1791775299.5000110.1V1062 P1065 V1078 Y1094 V1096 Y1126 K1130 M1131 C1133 V1148V1062-W1080 HydrophobicContact CG1-CB 3.7Å; V1062-W1080 HydrophobicContact CG1-CG 4.01Å; P1065-W1080 HydrophobicContact CB-CB 4.25Å; V1078-W1080 HydrophobicContact CB-CZ3 4.48Å; V1078-W1080 HydrophobicContact CG1-CE3 4.19Å; V1078-W1080 HydrophobicContact CG1-CZ3 4.25Å; V1078-W1080 WeakPolarHBondContact O-CZ3 3.4Å; W1080-Y1094 AromaticContact CD1-CD1 3.74Å; W1080-Y1094 AromaticContact CD1-CE1 3.79Å; W1080-Y1094 HydrophobicContact CZ2-CG 4.24Å; W1080-Y1094 AromaticContact NE1-CD1 3.14Å; W1080-Y1094 AromaticContact NE1-CD2 3.73Å; W1080-Y1094 AromaticContact NE1-CE1 3.55Å; W1080-Y1094 AromaticContact NE1-CG 3.24Å; W1080-V1096 HydrophobicContact CH2-CG2 3.42Å; W1080-V1096 VanDerWaalsContact CH2-CG2 3.42Å; W1080-V1096 HydrophobicContact CZ2-CG2 3.93Å; W1080-V1096 HydrophobicContact CZ3-CG2 3.85Å; W1080-Y1126 HydrophobicContact CH2-CD1 4.18Å; W1080-Y1126 HydrophobicContact CH2-CE1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CD1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CE1 4.28Å; W1080-K1130 WeakPolarHBondContact CZ2-O 3.42Å; W1080-M1131 PolarHBondContact N-O 3.37Å; W1080-C1133 HydrophobicContact CH2-CB 4.08Å; W1080-C1133 HydrophobicContact CZ3-CB 4.47Å; W1080-V1148 HydrophobicContact CD2-CG1 3.94Å; W1080-V1148 HydrophobicContact CD2-CG2 4.23Å; W1080-V1148 HydrophobicContact CE3-CG2 4.11Å; W1080-V1148 HydrophobicContact CG-CG1 4.14Å; W1080-V1148 HydrophobicContact CZ2-CG1 4.25Å
1081N91.9Very high88.6Confident113 Ų11355.6 Ų55.660%0.60430%0.295SS*.  trans-116.2168.5170.5-65.1-36.8000109
1082Q91Very high88.7Confident102 Ų10259.5 Ų59.548%0.47731%0.309SS..  trans-60.2147.2170.1-170.2171-0.900110.8T1086 I1091 Y1094 M1131Q1082-T1086 HydrophobicContact CG-CG2 4.49Å; Q1082-T1086 VanDerWaalsContact NE2-CG2 3.28Å; Q1082-I1091 HydrophobicContact CG-CG1 4.5Å; Q1082-Y1094 WeakPolarHBondContact CA-OH 3.23Å; Q1082-M1131 HydrophobicContact CB-SD 4.16Å; Q1082-M1131 PolarHBondContact N-SD 3.28Å
1083P90.5Very high89Confident8 Ų855.1 Ų55.15%0.05229%0.291CS..  trans-56.6151.1170.8-24.533.7000112.3P1059 G1060 V1062 T1085 A1150P1059-P1083 HydrophobicContact CB-CG 4.32Å; G1060-P1083 WeakPolarHBondContact O-CB 3.35Å; G1060-P1083 WeakPolarHBondContact O-CG 3.4Å; V1062-P1083 HydrophobicContact CG2-CG 3.85Å; P1083-T1085 PolarHBondContact O-N 2.96Å; P1083-A1150 HydrophobicContact CG-CB 3.65Å
1084E86.1Confident89.5Confident155 Ų15554.5 Ų54.572%0.72428%0.284SS*.SBendtrans-63.8-28.4174.9-63.3-172.9137.500112.2K1063K1063-E1084 WeakPolarHBondContact CE-OE1 3.39Å; K1063-E1084 IonicContact NZ-OE1 3.89Å; K1063-E1084 PolarHBondContact NZ-OE1 3.15Å
1085T84.8Confident89.9Confident90 Ų9051.6 Ų51.655%0.55227%0.265SS*.  trans-124.1119.3172.256.80000110.3G1060 P1083 G1087G1060-T1085 PolarHBondContact N-O 2.77Å; P1083-T1085 PolarHBondContact O-N 2.96Å; T1085-G1087 PolarHBondContact O-N 2.88Å; T1085-G1087 VanDerWaalsContact O-N 3.15Å
1086T86.8Confident90.1Very high43 Ų4351.6 Ų51.626%0.26427%0.265SS..  trans-74.30.6178.360.30000113.8Q1082 G1088 A1089 I1091 N1152Q1082-T1086 HydrophobicContact CG-CG2 4.49Å; Q1082-T1086 VanDerWaalsContact NE2-CG2 3.28Å; T1086-G1088 PolarHBondContact O-N 3.32Å; T1086-G1088 PolarHBondContact OG1-N 3.35Å; T1086-A1089 WeakPolarHBondContact CB-O 3.4Å; T1086-I1091 HydrophobicContact CG2-CD1 4.43Å; T1086-I1091 HydrophobicContact CG2-CG1 4.47Å; T1086-N1152 PolarHBondContact O-ND2 3.31Å
1087G82.2Confident90.1Very high6 Ų652.5 Ų52.56%0.06227%0.269CS..THydrogen-bonded Turntrans69.57.1-16700000114A1056 V1057 T1085A1056-G1087 CarbonylContact C-O 3.52Å; A1056-G1087 WeakPolarHBondContact CA-O 3.49Å; A1056-G1087 WeakPolarHBondContact CB-O 3.45Å; V1057-G1087 PolarHBondContact N-O 3.01Å; V1057-G1087 WeakPolarHBondContact O-CA 3.49Å; T1085-G1087 PolarHBondContact O-N 2.88Å; T1085-G1087 VanDerWaalsContact O-N 3.15Å
1088G80.1Confident90Very high31 Ų3151 Ų5132%0.3226%0.263SS..THydrogen-bonded Turntrans91.68.917900000115.5P1027 G1028 T1086P1027-G1088 WeakPolarHBondContact O-CA 3.33Å; G1028-G1088 WeakPolarHBondContact CA-O 3.45Å; T1086-G1088 PolarHBondContact O-N 3.32Å; T1086-G1088 PolarHBondContact OG1-N 3.35Å
1089A84.7Confident89.6Confident15 Ų1552.7 Ų52.712%0.12427%0.274CS..SBendtrans-138.2160174.400000111.1A1056 T1086 N1152 I1153A1056-A1089 HydrophobicContact CB-CB 3.76Å; T1086-A1089 WeakPolarHBondContact CB-O 3.4Å; A1089-N1152 HydrophobicContact CB-CB 4.16Å; A1089-I1153 HydrophobicContact CB-CD1 3.76Å; A1089-I1153 HydrophobicContact CB-CG1 3.6Å
1090E86.6Confident88.9Confident177 Ų17753 Ų5383%0.82727%0.273SS*.  trans-61.1139.5177-63.1-176.316400111.5K1092 N1152E1090-K1092 PolarHBondContact O-N 3.14Å; E1090-N1152 VanDerWaalsContact O-CB 3.32Å; E1090-N1152 WeakPolarHBondContact O-CB 3.06Å
1091I89.8Confident88Confident32 Ų3254.7 Ų54.716%0.16428%0.282CS..  trans-74.9119.6175.6-53.8-52.7000108.2P1059 Q1082 T1086 D1093 Y1094 A1150 N1151 N1152P1059-I1091 HydrophobicContact CB-CD1 3.92Å; P1059-I1091 HydrophobicContact CG-CD1 3.58Å; Q1082-I1091 HydrophobicContact CG-CG1 4.5Å; T1086-I1091 HydrophobicContact CG2-CD1 4.43Å; T1086-I1091 HydrophobicContact CG2-CG1 4.47Å; I1091-D1093 WeakPolarHBondContact CG2-O 3.5Å; I1091-Y1094 HydrophobicContact CG2-CD2 4.45Å; I1091-Y1094 HydrophobicContact CG2-CE1 4.25Å; I1091-Y1094 HydrophobicContact CG2-CE2 3.99Å; I1091-A1150 HydrophobicContact CD1-CB 4.11Å; I1091-A1150 HydrophobicContact CG2-CB 3.94Å; I1091-N1151 CarbonylContact C-O 3.56Å; I1091-N1151 WeakPolarHBondContact CA-O 3.33Å; I1091-N1152 HydrophobicContact CD1-CB 4.36Å
1092K90Very high86.6Confident121 Ų12154.5 Ų54.553%0.52628%0.281SS..  trans-76-51.5178.8-67.4177179.1166.80111.3E1090 N1151 N1152E1090-K1092 PolarHBondContact O-N 3.14Å; K1092-N1151 PolarHBondContact N-O 2.78Å; K1092-N1152 WeakPolarHBondContact CE-O 3.48Å; K1092-N1152 PolarHBondContact NZ-O 2.84Å
1093D93.8Very high84.8Confident31 Ų3153.3 Ų53.317%0.16628%0.278CS..EExtended strand (participates in β ladder)trans-154170.3179.958.129.5000111.2I1091 Q1127 N1151I1091-D1093 WeakPolarHBondContact CG2-O 3.5Å; D1093-Q1127 HydrophobicContact CB-CG 4.39Å; D1093-Q1127 WeakPolarHBondContact OD2-CG 3.45Å; D1093-Q1127 PolarHBondContact OD2-NE2 2.74Å; D1093-N1151 PolarHBondContact O-N 3.02Å; D1093-N1151 VanDerWaalsContact OD1-CB 3.26Å; D1093-N1151 WeakPolarHBondContact OD1-CB 3.34Å; D1093-N1151 PolarHBondContact OD1-ND2 2.88Å
1094Y96Very high82.8Confident10 Ų1061.4 Ų61.44%0.03932%0.315CS..EExtended strand (participates in β ladder)trans-114137169-62.4-91.4000108.6V1062 W1080 Q1082 I1091 Q1127 G1128 M1131 V1148 R1149 A1150V1062-Y1094 HydrophobicContact CG2-CD1 4.25Å; V1062-Y1094 HydrophobicContact CG2-CE1 4.22Å; W1080-Y1094 AromaticContact CD1-CD1 3.74Å; W1080-Y1094 AromaticContact CD1-CE1 3.79Å; W1080-Y1094 HydrophobicContact CZ2-CG 4.24Å; W1080-Y1094 AromaticContact NE1-CD1 3.14Å; W1080-Y1094 AromaticContact NE1-CD2 3.73Å; W1080-Y1094 AromaticContact NE1-CE1 3.55Å; W1080-Y1094 AromaticContact NE1-CG 3.24Å; Q1082-Y1094 WeakPolarHBondContact CA-OH 3.23Å; I1091-Y1094 HydrophobicContact CG2-CD2 4.45Å; I1091-Y1094 HydrophobicContact CG2-CE1 4.25Å; I1091-Y1094 HydrophobicContact CG2-CE2 3.99Å; Y1094-Q1127 VanDerWaalsContact O-CA 3.31Å; Y1094-Q1127 WeakPolarHBondContact O-CA 3.36Å; Y1094-G1128 PolarHBondContact N-O 2.86Å; Y1094-G1128 PolarHBondContact O-N 2.93Å; Y1094-M1131 HydrophobicContact CD2-CG 4.37Å; Y1094-M1131 HydrophobicContact CE2-CG 3.59Å; Y1094-V1148 HydrophobicContact CD1-CG1 4.3Å; Y1094-R1149 CarbonylContact C-O 3.47Å; Y1094-R1149 VanDerWaalsContact CA-O 3.26Å; Y1094-R1149 WeakPolarHBondContact CA-O 3.48Å; Y1094-A1150 HydrophobicContact CD1-CB 3.75Å; Y1094-A1150 HydrophobicContact CE1-CB 3.64Å
1095E94.6Very high80.4Confident11 Ų1157.7 Ų57.75%0.05132%0.319CS..EExtended strand (participates in β ladder)trans-100.3132.8167.1-72.2172.4-143.900109.1V1124 Y1126 Q1127 V1148 R1149 N1151 Q1156 W1159E1095-V1124 HydrophobicContact CB-CG1 4.44Å; E1095-V1124 HydrophobicContact CG-CG1 4.48Å; E1095-Y1126 WeakPolarHBondContact CA-O 3.45Å; E1095-Q1127 HydrophobicContact CG-CG 4.17Å; E1095-V1148 WeakPolarHBondContact O-CA 3.39Å; E1095-R1149 HydrophobicContact CB-CG 3.96Å; E1095-R1149 PolarHBondContact N-O 3.25Å; E1095-R1149 PolarHBondContact O-N 2.92Å; E1095-R1149 IonicContact OE1-NE 3.98Å; E1095-R1149 IonicContact OE1-NH2 2.74Å; E1095-R1149 IonicContact OE2-CZ 3.27Å; E1095-R1149 IonicContact OE2-NE 2.69Å; E1095-R1149 PolarHBondContact OE2-NE 3.07Å; E1095-R1149 IonicContact OE2-NH2 2.94Å; E1095-R1149 PolarHBondContact OE2-NH2 3.4Å; E1095-N1151 PolarHBondContact OE1-ND2 3.38Å; E1095-Q1156 PolarHBondContact OE1-NE2 2.98Å; E1095-W1159 HydrophobicContact CB-CH2 4.18Å; E1095-W1159 HydrophobicContact CB-CZ3 4.37Å
1096V94.1Very high78.1Confident0 Ų060.5 Ų60.50%033%0.33CS..EExtended strand (participates in β ladder)trans-113.5121.4171.3-175.20000108.2W1080 V1124 V1125 Y1126 I1135 L1146 V1148W1080-V1096 HydrophobicContact CH2-CG2 3.42Å; W1080-V1096 VanDerWaalsContact CH2-CG2 3.42Å; W1080-V1096 HydrophobicContact CZ2-CG2 3.93Å; W1080-V1096 HydrophobicContact CZ3-CG2 3.85Å; V1096-V1124 CarbonylContact O-C 3.48Å; V1096-V1124 WeakPolarHBondContact O-CA 3.48Å; V1096-V1125 HydrophobicContact CB-CG2 4.3Å; V1096-V1125 HydrophobicContact CG1-CG2 4.03Å; V1096-V1125 WeakPolarHBondContact O-CG2 3.12Å; V1096-V1125 PolarHBondContact O-N 3.49Å; V1096-Y1126 HydrophobicContact CG2-CD1 3.94Å; V1096-Y1126 HydrophobicContact CG2-CG 4.38Å; V1096-Y1126 PolarHBondContact N-O 2.97Å; V1096-Y1126 PolarHBondContact O-N 3.25Å; V1096-I1135 HydrophobicContact CG1-CD1 4.3Å; V1096-L1146 HydrophobicContact CG1-CD1 3.73Å; V1096-L1146 HydrophobicContact CG1-CD2 3.91Å; V1096-L1146 HydrophobicContact CG1-CG 3.7Å; V1096-V1148 HydrophobicContact CG1-CG2 4.22Å; V1096-V1148 HydrophobicContact CG2-CG1 4.22Å; V1096-V1148 HydrophobicContact CG2-CG2 4.02Å
1097E91.6Very high75.7Confident23 Ų2366.6 Ų66.611%0.10736%0.356CS..EExtended strand (participates in β ladder)trans-109139.2178.1-172.2-178.9-130.700110.2P1122 R1123 L1146 R1147 W1159E1097-P1122 HydrophobicContact CG-CB 3.92Å; E1097-R1123 WeakPolarHBondContact CA-O 3.5Å; E1097-L1146 WeakPolarHBondContact O-CA 3.44Å; E1097-R1147 HydrophobicContact CB-CG 4.34Å; E1097-R1147 PolarHBondContact N-O 3.44Å; E1097-R1147 PolarHBondContact O-N 2.88Å; E1097-R1147 IonicContact OE1-NH2 3.16Å; E1097-R1147 IonicContact OE2-CZ 2.68Å; E1097-R1147 IonicContact OE2-NE 3.6Å; E1097-R1147 PolarHBondContact OE2-NE 3.19Å; E1097-R1147 IonicContact OE2-NH2 3.82Å; E1097-R1147 PolarHBondContact OE2-NH2 2.93Å; E1097-W1159 HydrophobicContact CB-CE3 4.49Å; E1097-W1159 HydrophobicContact CB-CH2 3.46Å; E1097-W1159 VanDerWaalsContact CB-CH2 3.46Å; E1097-W1159 HydrophobicContact CB-CZ2 4.11Å; E1097-W1159 HydrophobicContact CB-CZ3 3.66Å; E1097-W1159 HydrophobicContact CG-CH2 4.34Å; E1097-W1159 WeakPolarHBondContact OE2-CZ2 3.44Å
1098L91.4Very high73.5Confident15 Ų1572 Ų728%0.07939%0.389CS..EExtended strand (participates in β ladder)trans-130.3129.4-178.8-17577000109.7R1123 V1125 I1135 L1138 Y1144 L1146 F1165L1098-R1123 PolarHBondContact N-O 2.71Å; L1098-R1123 PolarHBondContact O-N 3.14Å; L1098-V1125 HydrophobicContact CB-CG1 3.84Å; L1098-V1125 HydrophobicContact CB-CG2 3.84Å; L1098-V1125 HydrophobicContact CD2-CG1 4.18Å; L1098-I1135 HydrophobicContact CD2-CG2 4.27Å; L1098-L1138 HydrophobicContact CD2-CD2 3.53Å; L1098-Y1144 HydrophobicContact CD1-CD1 3.89Å; L1098-Y1144 HydrophobicContact CD1-CG 4.27Å; L1098-Y1144 HydrophobicContact CD2-CD1 3.99Å; L1098-Y1144 HydrophobicContact CD2-CE1 4.2Å; L1098-Y1144 HydrophobicContact CG-CD1 3.97Å; L1098-L1146 HydrophobicContact CD1-CB 3.95Å; L1098-L1146 HydrophobicContact CD1-CD1 4.26Å; L1098-F1165 HydrophobicContact CD1-CE1 4.07Å; L1098-F1165 HydrophobicContact CD1-CZ 4.19Å
1099C86.7Confident71.3Confident35 Ų3578.8 Ų78.824%0.23642%0.419CS..EExtended strand (participates in β ladder)trans-120.6155.6158.952.30000109.7P1122 R1145C1099-P1122 HydrophobicContact CB-CB 4.18Å; C1099-R1145 PolarHBondContact N-O 3.48Å; C1099-R1145 PolarHBondContact O-N 2.77Å
1100W79.7Confident68.8Low90 Ų9080.9 Ų80.934%0.34144%0.442SS..EExtended strand (participates in β ladder)trans-78.4160.216266.147.4000109.8F1120 L1139 Y1144W1100-F1120 AromaticContact CD2-CD1 3.84Å; W1100-F1120 HydrophobicContact CD2-CD1 3.84Å; W1100-F1120 AromaticContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CG 4.28Å; W1100-F1120 HydrophobicContact CD2-CZ 4.43Å; W1100-F1120 AromaticContact CE2-CD1 3.65Å; W1100-F1120 AromaticContact CE2-CD2 3.76Å; W1100-F1120 AromaticContact CE2-CE1 3.78Å; W1100-F1120 AromaticContact CE2-CE2 3.9Å; W1100-F1120 AromaticContact CE2-CG 3.65Å; W1100-F1120 AromaticContact CE2-CZ 3.92Å; W1100-F1120 HydrophobicContact CE3-CD1 4.16Å; W1100-F1120 AromaticContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CZ 4.27Å; W1100-F1120 HydrophobicContact CG-CD1 4.45Å; W1100-F1120 HydrophobicContact CH2-CD1 4.26Å; W1100-F1120 HydrophobicContact CH2-CD2 4.24Å; W1100-F1120 AromaticContact CH2-CE1 3.52Å; W1100-F1120 HydrophobicContact CH2-CE1 3.52Å; W1100-F1120 AromaticContact CH2-CE2 3.52Å; W1100-F1120 HydrophobicContact CH2-CE2 3.52Å; W1100-F1120 AromaticContact CH2-CZ 3.11Å; W1100-F1120 HydrophobicContact CH2-CZ 3.11Å; W1100-F1120 AromaticContact CZ2-CD1 3.91Å; W1100-F1120 HydrophobicContact CZ2-CD1 3.91Å; W1100-F1120 AromaticContact CZ2-CD2 3.49Å; W1100-F1120 HydrophobicContact CZ2-CD2 3.49Å; W1100-F1120 VanDerWaalsContact CZ2-CD2 3.49Å; W1100-F1120 AromaticContact CZ2-CE1 3.62Å; W1100-F1120 HydrophobicContact CZ2-CE1 3.62Å; W1100-F1120 AromaticContact CZ2-CE2 3.2Å; W1100-F1120 HydrophobicContact CZ2-CE2 3.2Å; W1100-F1120 AromaticContact CZ2-CG 3.86Å; W1100-F1120 HydrophobicContact CZ2-CG 3.86Å; W1100-F1120 AromaticContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ3-CD1 4.35Å; W1100-F1120 AromaticContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE2 4.42Å; W1100-F1120 AromaticContact CZ3-CZ 3.64Å; W1100-F1120 HydrophobicContact CZ3-CZ 3.64Å; W1100-F1120 AromaticContact NE1-CD2 3.95Å; W1100-F1120 AromaticContact NE1-CG 3.68Å; W1100-L1139 HydrophobicContact CE3-CD1 4.24Å; W1100-L1139 HydrophobicContact CZ3-CD1 3.84Å; W1100-Y1144 HydrophobicContact CB-CD1 4.05Å; W1100-Y1144 HydrophobicContact CB-CE1 3.85Å
1101L75.9Confident66.3Low41 Ų4177.3 Ų77.322%0.21544%0.442CS..  trans-104.2135.1165.9-61.7175.1000107.7S1143 R1145L1101-S1143 PolarHBondContact N-O 2.91Å; L1101-R1145 HydrophobicContact CD1-CB 4.19Å; L1101-R1145 HydrophobicContact CD2-CB 3.8Å; L1101-R1145 HydrophobicContact CG-CB 3.96Å
1102N61.4Low63.6Low108 Ų10880.1 Ų80.158%0.57847%0.471SS*.  trans-62.8139.5161.7-67.1-5000106.9E1104N1102-E1104 PolarHBondContact O-N 2.73Å
1103D55.1Low60.7Low78 Ų7885.8 Ų85.842%0.41749%0.489SS..SBendtrans-8127.3-169.3-65.8-68.9000113.1R1142 S1143D1103-R1142 WeakPolarHBondContact OD2-CD 3.21Å; D1103-R1142 IonicContact OD2-CZ 2.72Å; D1103-R1142 IonicContact OD2-NH1 2.78Å; D1103-R1142 PolarHBondContact OD2-NH1 2.88Å; D1103-S1143 WeakPolarHBondContact OD1-CB 3.33Å; D1103-S1143 PolarHBondContact OD1-OG 3.03Å
1104E48.4Very low58Low177 Ų17792.8 Ų92.883%0.82753%0.525SS*.  trans-117139171.7-65.5-172.9161.200109.1N1102N1102-E1104 PolarHBondContact O-N 2.73Å
1105G35.8Very low55.1Low77 Ų7798 Ų9879%0.79456%0.558SS**  trans-93.70.6-157.500000116.7
1106D35.4Very low52Low150 Ų150104.2 Ų104.280%0.80260%0.597SS**  trans-112.7128.9-163.3-57.5-71.1000111.8
1107E35.7Very low49.1Very low171 Ų171108 Ų10880%0.79963%0.629SS**  trans-71.1129.6168.3-80.5-85.1150.700109D1109E1107-D1109 PolarHBondContact O-N 2.9Å
1108P37Very low46.4Very low118 Ų118113.8 Ų113.877%0.76666%0.66SS**  trans-73.9109.6-179.229-33.4000110.8G1110P1108-G1110 PolarHBondContact O-N 2.73Å
1109D33.2Very low43.6Very low175 Ų175119.3 Ų119.394%0.93669%0.69SS**  trans-72.993.3-176.9-162.58.2000112.3E1107E1107-D1109 PolarHBondContact O-N 2.9Å
1110G33.5Very low41.7Very low59 Ų59123.4 Ų123.461%0.60870%0.704SS**  trans99.1176.6157.600000118.7P1108P1108-G1110 PolarHBondContact O-N 2.73Å
1111A33.6Very low40.4Very low101 Ų101126.5 Ų126.584%0.83572%0.722SS**  trans56.179161.200000120
1112A32.4Very low40.1Very low92 Ų92127.6 Ų127.676%0.7673%0.731SS**  60.4122.2126.300000122
1113R29.4Very low41Very low240 Ų240131.4 Ų131.491%0.90674%0.738SS**  trans49.3109146.2-66.6-178.9172.6-174.1-1.7118
1114L37.8Very low42.5Very low177 Ų177130.7 Ų130.793%0.92774%0.736SS**  -160161110.9-103.4157.9000110.2
1115T33.6Very low44.5Very low121 Ų121125 Ų12574%0.74271%0.714SS**  trans-89157.4-172.145.50000113.5
1116T30.7Very low47.2Very low140 Ų140123.9 Ų123.986%0.85969%0.685SS**SBendtrans67.766.1163.650.20000117.8
1117A33Very low50Low81 Ų81122.4 Ų122.467%0.66967%0.674SS**SBendtrans-149.4156141.600000109.1N1119A1117-N1119 PolarHBondContact O-N 3.01Å
1118D34.8Very low52.6Low143 Ų143114.7 Ų114.777%0.76564%0.64SS**  trans52.839.5165.2-57.9-13000119.3F1120D1118-F1120 PolarHBondContact O-N 3.28Å; D1118-F1120 VanDerWaalsContact O-N 3.08Å
1119N33.8Very low55.2Low131 Ų131113.9 Ų113.970%0.70164%0.635SS**  trans-67.2102.6162.6-85.723.7000111A1117A1117-N1119 PolarHBondContact O-N 3.01Å
1120F45.6Very low58Low121 Ų121112.2 Ų112.253%0.53162%0.619SS.*  trans-107.192.1162-103.2-94000112.1W1100 D1118W1100-F1120 AromaticContact CD2-CD1 3.84Å; W1100-F1120 HydrophobicContact CD2-CD1 3.84Å; W1100-F1120 AromaticContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CG 4.28Å; W1100-F1120 HydrophobicContact CD2-CZ 4.43Å; W1100-F1120 AromaticContact CE2-CD1 3.65Å; W1100-F1120 AromaticContact CE2-CD2 3.76Å; W1100-F1120 AromaticContact CE2-CE1 3.78Å; W1100-F1120 AromaticContact CE2-CE2 3.9Å; W1100-F1120 AromaticContact CE2-CG 3.65Å; W1100-F1120 AromaticContact CE2-CZ 3.92Å; W1100-F1120 HydrophobicContact CE3-CD1 4.16Å; W1100-F1120 AromaticContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CZ 4.27Å; W1100-F1120 HydrophobicContact CG-CD1 4.45Å; W1100-F1120 HydrophobicContact CH2-CD1 4.26Å; W1100-F1120 HydrophobicContact CH2-CD2 4.24Å; W1100-F1120 AromaticContact CH2-CE1 3.52Å; W1100-F1120 HydrophobicContact CH2-CE1 3.52Å; W1100-F1120 AromaticContact CH2-CE2 3.52Å; W1100-F1120 HydrophobicContact CH2-CE2 3.52Å; W1100-F1120 AromaticContact CH2-CZ 3.11Å; W1100-F1120 HydrophobicContact CH2-CZ 3.11Å; W1100-F1120 AromaticContact CZ2-CD1 3.91Å; W1100-F1120 HydrophobicContact CZ2-CD1 3.91Å; W1100-F1120 AromaticContact CZ2-CD2 3.49Å; W1100-F1120 HydrophobicContact CZ2-CD2 3.49Å; W1100-F1120 VanDerWaalsContact CZ2-CD2 3.49Å; W1100-F1120 AromaticContact CZ2-CE1 3.62Å; W1100-F1120 HydrophobicContact CZ2-CE1 3.62Å; W1100-F1120 AromaticContact CZ2-CE2 3.2Å; W1100-F1120 HydrophobicContact CZ2-CE2 3.2Å; W1100-F1120 AromaticContact CZ2-CG 3.86Å; W1100-F1120 HydrophobicContact CZ2-CG 3.86Å; W1100-F1120 AromaticContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ3-CD1 4.35Å; W1100-F1120 AromaticContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE2 4.42Å; W1100-F1120 AromaticContact CZ3-CZ 3.64Å; W1100-F1120 HydrophobicContact CZ3-CZ 3.64Å; W1100-F1120 AromaticContact NE1-CD2 3.95Å; W1100-F1120 AromaticContact NE1-CG 3.68Å; D1118-F1120 PolarHBondContact O-N 3.28Å; D1118-F1120 VanDerWaalsContact O-N 3.08Å
1121E52.9Low60.9Low156 Ų156113.1 Ų113.173%0.72961%0.609SS**  trans-62.1121.8173.6-64177.917700109.5R1123E1121-R1123 PolarHBondContact O-N 2.98Å
1122P69.5Low63.8Low63 Ų63112 Ų11241%0.40959%0.586SS.*  trans-66132178.630.3-35.6000109E1097 C1099E1097-P1122 HydrophobicContact CG-CB 3.92Å; C1099-P1122 HydrophobicContact CB-CB 4.18Å
1123R80Confident66.6Low189 Ų189108 Ų10871%0.71355%0.553SS**EExtended strand (participates in β ladder)trans-113.9128.7-164.2-171.8172.8179.61732111.4E1097 L1098 E1121 V1125E1097-R1123 WeakPolarHBondContact CA-O 3.5Å; L1098-R1123 PolarHBondContact N-O 2.71Å; L1098-R1123 PolarHBondContact O-N 3.14Å; E1121-R1123 PolarHBondContact O-N 2.98Å; R1123-V1125 PolarHBondContact O-N 2.74Å
1124V87.3Confident69.7Low63 Ų63101.3 Ų101.338%0.38253%0.534SS..EExtended strand (participates in β ladder)trans-65.7114.8166.9-177.80000108.6E1095 V1096 Y1126E1095-V1124 HydrophobicContact CB-CG1 4.44Å; E1095-V1124 HydrophobicContact CG-CG1 4.48Å; V1096-V1124 CarbonylContact O-C 3.48Å; V1096-V1124 WeakPolarHBondContact O-CA 3.48Å; V1124-Y1126 WeakPolarHBondContact CG1-O 3.49Å
1125V89.9Confident72.2Confident58 Ų5893.4 Ų93.435%0.35249%0.493SS..EExtended strand (participates in β ladder)trans-104.5-14.8-177.8-70.40000113.1V1096 L1098 R1123 I1135V1096-V1125 HydrophobicContact CB-CG2 4.3Å; V1096-V1125 HydrophobicContact CG1-CG2 4.03Å; V1096-V1125 WeakPolarHBondContact O-CG2 3.12Å; V1096-V1125 PolarHBondContact O-N 3.49Å; L1098-V1125 HydrophobicContact CB-CG1 3.84Å; L1098-V1125 HydrophobicContact CB-CG2 3.84Å; L1098-V1125 HydrophobicContact CD2-CG1 4.18Å; R1123-V1125 PolarHBondContact O-N 2.74Å; V1125-I1135 HydrophobicContact CG2-CD1 3.75Å; V1125-I1135 HydrophobicContact CG2-CG1 4.03Å
1126Y92.9Very high74.9Confident52 Ų5292 Ų9220%0.20448%0.478CS..EExtended strand (participates in β ladder)trans-146.3137.3170.1176.4-95.8000109.9W1080 E1095 V1096 V1124 G1128 K1130 C1133W1080-Y1126 HydrophobicContact CH2-CD1 4.18Å; W1080-Y1126 HydrophobicContact CH2-CE1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CD1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CE1 4.28Å; E1095-Y1126 WeakPolarHBondContact CA-O 3.45Å; V1096-Y1126 HydrophobicContact CG2-CD1 3.94Å; V1096-Y1126 HydrophobicContact CG2-CG 4.38Å; V1096-Y1126 PolarHBondContact N-O 2.97Å; V1096-Y1126 PolarHBondContact O-N 3.25Å; V1124-Y1126 WeakPolarHBondContact CG1-O 3.49Å; Y1126-G1128 WeakPolarHBondContact CE1-O 3.12Å; Y1126-G1128 VanDerWaalsContact OH-C 3.31Å; Y1126-G1128 WeakPolarHBondContact OH-CA 3.41Å; Y1126-K1130 WeakPolarHBondContact OH-CB 3.35Å; Y1126-K1130 PolarHBondContact OH-N 2.85Å; Y1126-C1133 HydrophobicContact CD1-CB 4.2Å; Y1126-C1133 HydrophobicContact CD2-CB 3.66Å; Y1126-C1133 HydrophobicContact CE2-CB 4.17Å; Y1126-C1133 HydrophobicContact CG-CB 3.69Å
1127Q92.9Very high77.5Confident120 Ų12093.4 Ų93.456%0.56148%0.479SS*.EExtended strand (participates in β ladder)trans-132.2127.9162.2-175.3178.2-3.600108.2D1093 Y1094 E1095D1093-Q1127 HydrophobicContact CB-CG 4.39Å; D1093-Q1127 WeakPolarHBondContact OD2-CG 3.45Å; D1093-Q1127 PolarHBondContact OD2-NE2 2.74Å; Y1094-Q1127 VanDerWaalsContact O-CA 3.31Å; Y1094-Q1127 WeakPolarHBondContact O-CA 3.36Å; E1095-Q1127 HydrophobicContact CG-CG 4.17Å
1128G91.3Very high80.1Confident8 Ų890.1 Ų90.18%0.08245%0.45CS..EExtended strand (participates in β ladder)trans163.1174.1174.800000115.1Y1094 Y1126 K1130Y1094-G1128 PolarHBondContact N-O 2.86Å; Y1094-G1128 PolarHBondContact O-N 2.93Å; Y1126-G1128 WeakPolarHBondContact CE1-O 3.12Å; Y1126-G1128 VanDerWaalsContact OH-C 3.31Å; Y1126-G1128 WeakPolarHBondContact OH-CA 3.41Å; G1128-K1130 VanDerWaalsContact C-N 3.32Å; G1128-K1130 PolarHBondContact O-N 3.34Å
1129P92.1Very high82.3Confident101 Ų10187 Ų8766%0.65643%0.434SS*.SBendtrans-79.9-3.3-170.231.3-37.2000115.1
1130K91.7Very high84.7Confident140 Ų14081.5 Ų81.561%0.60941%0.405SS*.  trans-83.2142-179.8-59.7-172.6178-174.70110.4W1080 Y1126 G1128 E1132W1080-K1130 WeakPolarHBondContact CZ2-O 3.42Å; Y1126-K1130 WeakPolarHBondContact OH-CB 3.35Å; Y1126-K1130 PolarHBondContact OH-N 2.85Å; G1128-K1130 VanDerWaalsContact C-N 3.32Å; G1128-K1130 PolarHBondContact O-N 3.34Å; K1130-E1132 PolarHBondContact O-N 3.13Å
1131M93.3Very high86.3Confident79 Ų7975.8 Ų75.839%0.38938%0.38SS..SBendtrans-83.618.8174.2-64.4178.2-77.100113.4K1079 W1080 Q1082 Y1094K1079-M1131 WeakPolarHBondContact CA-O 3.22Å; W1080-M1131 PolarHBondContact N-O 3.37Å; Q1082-M1131 HydrophobicContact CB-SD 4.16Å; Q1082-M1131 PolarHBondContact N-SD 3.28Å; Y1094-M1131 HydrophobicContact CD2-CG 4.37Å; Y1094-M1131 HydrophobicContact CE2-CG 3.59Å
1132E94.4Very high87.8Confident78 Ų7874 Ų7436%0.36437%0.367SS..EExtended strand (participates in β ladder)trans-152.6142.817858.2-173.5-143.900111.2V1078 K1079 K1130V1078-E1132 CarbonylContact O-C 3.58Å; V1078-E1132 VanDerWaalsContact O-CA 3.24Å; V1078-E1132 WeakPolarHBondContact O-CA 3.48Å; K1079-E1132 HydrophobicContact CB-CB 4.08Å; K1079-E1132 HydrophobicContact CD-CB 4.5Å; K1079-E1132 HydrophobicContact CG-CB 4.14Å; K1079-E1132 IonicContact NZ-OE2 3.68Å; K1079-E1132 PolarHBondContact NZ-OE2 2.88Å; K1130-E1132 PolarHBondContact O-N 3.13Å
1133C92.7Very high88.6Confident8 Ų872.3 Ų72.35%0.05436%0.356CS..EExtended strand (participates in β ladder)trans-144.1151.3176.171.80000112.8H1077 V1078 W1080 Y1126H1077-C1133 PolarHBondContact CD2-O 2.99Å; V1078-C1133 PolarHBondContact N-O 2.6Å; V1078-C1133 PolarHBondContact O-N 2.96Å; W1080-C1133 HydrophobicContact CH2-CB 4.08Å; W1080-C1133 HydrophobicContact CZ3-CB 4.47Å; Y1126-C1133 HydrophobicContact CD1-CB 4.2Å; Y1126-C1133 HydrophobicContact CD2-CB 3.66Å; Y1126-C1133 HydrophobicContact CE2-CB 4.17Å; Y1126-C1133 HydrophobicContact CG-CB 3.69Å
1134N93.4Very high89Confident98 Ų9863.9 Ų63.952%0.52433%0.325SS..EExtended strand (participates in β ladder)trans-105.7104.1174-80.5-85.5000109.3H1077H1077-N1134 WeakPolarHBondContact CB-OD1 3.4Å; H1077-N1134 PolarHBondContact CD2-ND2 3Å; H1077-N1134 PolarHBondContact CD2-OD1 3.1Å; H1077-N1134 VanDerWaalsContact CD2-OD1 3.27Å; H1077-N1134 PolarHBondContact NE2-ND2 3.12Å
1135I91.6Very high89.2Confident11 Ų1165.6 Ų65.66%0.05632%0.324CS..EExtended strand (participates in β ladder)trans-86.4128.9176.8-59.3163.4000107.8G1075 V1076 V1078 V1096 L1098 V1125 L1138 L1146G1075-I1135 CarbonylContact C-O 3.53Å; G1075-I1135 WeakPolarHBondContact CA-O 3.3Å; V1076-I1135 HydrophobicContact CG1-CB 3.99Å; V1076-I1135 HydrophobicContact CG1-CD1 4.18Å; V1076-I1135 PolarHBondContact N-O 3.06Å; V1076-I1135 PolarHBondContact O-N 3.43Å; V1078-I1135 HydrophobicContact CG2-CD1 4.45Å; V1096-I1135 HydrophobicContact CG1-CD1 4.3Å; L1098-I1135 HydrophobicContact CD2-CG2 4.27Å; V1125-I1135 HydrophobicContact CG2-CD1 3.75Å; V1125-I1135 HydrophobicContact CG2-CG1 4.03Å; I1135-L1138 HydrophobicContact CG2-CD1 4.38Å; I1135-L1138 HydrophobicContact CG2-CD2 3.8Å; I1135-L1138 HydrophobicContact CG2-CG 4.19Å; I1135-L1146 HydrophobicContact CD1-CD1 3.38Å
1136Q89.3Confident89.3Confident93 Ų9362.9 Ų62.944%0.43531%0.307SS..EExtended strand (participates in β ladder)trans-124.1177.3-179.5-55.2-62.4-7800110.1T1074 L1138T1074-Q1136 CarbonylContact O-C 3.5Å; T1074-Q1136 WeakPolarHBondContact O-CA 3.42Å; Q1136-L1138 VanDerWaalsContact C-N 3.27Å; Q1136-L1138 PolarHBondContact O-N 3.25Å
1137L84.5Confident89.3Confident168 Ų16864.7 Ų64.788%0.8831%0.314SS*.  trans61.430-178.7-52.5176.9000114.1T1074T1074-L1137 PolarHBondContact O-N 2.69Å
1138L87.5Confident89.3Confident12 Ų1259 Ų596%0.06329%0.287CS..PPolyproline II helixtrans-75.8153.3169.9-56.9-173.5000111.2T1074 V1076 L1098 I1135 Q1136 Y1144 F1165 T1167T1074-L1138 WeakPolarHBondContact CA-O 3.38Å; T1074-L1138 PolarHBondContact O-N 3.25Å; V1076-L1138 HydrophobicContact CG1-CD1 4.03Å; L1098-L1138 HydrophobicContact CD2-CD2 3.53Å; I1135-L1138 HydrophobicContact CG2-CD1 4.38Å; I1135-L1138 HydrophobicContact CG2-CD2 3.8Å; I1135-L1138 HydrophobicContact CG2-CG 4.19Å; Q1136-L1138 VanDerWaalsContact C-N 3.27Å; Q1136-L1138 PolarHBondContact O-N 3.25Å; L1138-Y1144 HydrophobicContact CB-CE2 4.05Å; L1138-Y1144 HydrophobicContact CD1-CD2 4.44Å; L1138-Y1144 HydrophobicContact CD1-CE2 4.35Å; L1138-Y1144 HydrophobicContact CD2-CE1 4.11Å; L1138-F1165 HydrophobicContact CD1-CE2 3.97Å; L1138-F1165 HydrophobicContact CD1-CZ 3.96Å; L1138-T1167 HydrophobicContact CB-CG2 3.74Å; L1138-T1167 HydrophobicContact CD1-CG2 3.69Å; L1138-T1167 HydrophobicContact CG-CG2 4.38Å
1139L82.7Confident89.5Confident79 Ų7960.5 Ų60.541%0.41429%0.29SS..PPolyproline II helixtrans-76.8133.7172.4-61.5178.2000109.6W1100 R1142 Y1144 T1167W1100-L1139 HydrophobicContact CE3-CD1 4.24Å; W1100-L1139 HydrophobicContact CZ3-CD1 3.84Å; L1139-R1142 HydrophobicContact CB-CB 4.32Å; L1139-R1142 HydrophobicContact CB-CG 3.81Å; L1139-R1142 HydrophobicContact CD1-CG 4.46Å; L1139-Y1144 WeakPolarHBondContact CB-OH 3.45Å; L1139-Y1144 PolarHBondContact N-OH 3.15Å; L1139-T1167 PolarHBondContact O-OG1 2.88Å
1140P83.6Confident89.6Confident15 Ų1555.7 Ų55.710%0.09726%0.259CS..THydrogen-bonded Turntrans-64.9143178.9-24.435.4000114.3A1073 T1074 R1142 S1170 N1199A1073-P1140 HydrophobicContact CB-CB 4.09Å; A1073-P1140 HydrophobicContact CB-CG 4.19Å; A1073-P1140 VanDerWaalsContact O-CA 3.31Å; A1073-P1140 WeakPolarHBondContact O-CA 3.44Å; T1074-P1140 HydrophobicContact CG2-CG 4.27Å; P1140-R1142 PolarHBondContact O-N 3.37Å; P1140-R1142 VanDerWaalsContact O-N 3.13Å; P1140-S1170 VanDerWaalsContact CB-CB 3.43Å; P1140-N1199 CarbonylContact C-O 3.6Å; P1140-N1199 HydrophobicContact CB-CB 3.94Å; P1140-N1199 HydrophobicContact CG-CB 4.46Å; P1140-N1199 CarbonylContact O-C 3.56Å
1141G79.7Confident89.6Confident1 Ų149.6 Ų49.61%0.0123%0.233CC..THydrogen-bonded Turntrans6116.9175.900000115.9R1166 T1167 A1168G1141-R1166 VanDerWaalsContact O-CZ 3.24Å; G1141-R1166 PolarHBondContact O-NE 2.72Å; G1141-R1166 PolarHBondContact O-NH2 2.83Å; G1141-T1167 WeakPolarHBondContact CA-O 3.41Å; G1141-T1167 PolarHBondContact N-OG1 3.42Å; G1141-A1168 PolarHBondContact N-O 2.83Å
1142R83.5Confident89.5Confident119 Ų11946 Ų4645%0.44922%0.216SC..  trans-94.5150.3176.4-75.1-63.4-1671775.7111.8D1103 L1139 P1140 Y1144 R1166 T1167D1103-R1142 WeakPolarHBondContact OD2-CD 3.21Å; D1103-R1142 IonicContact OD2-CZ 2.72Å; D1103-R1142 IonicContact OD2-NH1 2.78Å; D1103-R1142 PolarHBondContact OD2-NH1 2.88Å; L1139-R1142 HydrophobicContact CB-CB 4.32Å; L1139-R1142 HydrophobicContact CB-CG 3.81Å; L1139-R1142 HydrophobicContact CD1-CG 4.46Å; P1140-R1142 PolarHBondContact O-N 3.37Å; P1140-R1142 VanDerWaalsContact O-N 3.13Å; R1142-Y1144 HydrophobicContact CB-CD2 4.42Å; R1142-Y1144 HydrophobicContact CB-CE2 3.78Å; R1142-Y1144 WeakPolarHBondContact O-CD2 3.5Å; R1142-R1166 WeakPolarHBondContact O-CA 3.2Å; R1142-R1166 WeakPolarHBondContact O-CG 3.21Å; R1142-T1167 PolarHBondContact N-OG1 2.81Å; R1142-T1167 PolarHBondContact O-N 3.35Å; R1142-T1167 PolarHBondContact O-OG1 3.18Å
1143S86.3Confident89.1Confident27 Ų2748 Ų4819%0.18923%0.228CC..EExtended strand (participates in β ladder)trans-83.1135.2175.4-55.10000109.9L1101 D1103L1101-S1143 PolarHBondContact N-O 2.91Å; D1103-S1143 WeakPolarHBondContact OD1-CB 3.33Å; D1103-S1143 PolarHBondContact OD1-OG 3.03Å
1144Y88.8Confident88.7Confident12 Ų1249.6 Ų49.65%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-132.6144.4-176.8-76.3-79.6000111L1098 W1100 L1138 L1139 R1142 N1164 F1165 T1167L1098-Y1144 HydrophobicContact CD1-CD1 3.89Å; L1098-Y1144 HydrophobicContact CD1-CG 4.27Å; L1098-Y1144 HydrophobicContact CD2-CD1 3.99Å; L1098-Y1144 HydrophobicContact CD2-CE1 4.2Å; L1098-Y1144 HydrophobicContact CG-CD1 3.97Å; W1100-Y1144 HydrophobicContact CB-CD1 4.05Å; W1100-Y1144 HydrophobicContact CB-CE1 3.85Å; L1138-Y1144 HydrophobicContact CB-CE2 4.05Å; L1138-Y1144 HydrophobicContact CD1-CD2 4.44Å; L1138-Y1144 HydrophobicContact CD1-CE2 4.35Å; L1138-Y1144 HydrophobicContact CD2-CE1 4.11Å; L1139-Y1144 WeakPolarHBondContact CB-OH 3.45Å; L1139-Y1144 PolarHBondContact N-OH 3.15Å; R1142-Y1144 HydrophobicContact CB-CD2 4.42Å; R1142-Y1144 HydrophobicContact CB-CE2 3.78Å; R1142-Y1144 WeakPolarHBondContact O-CD2 3.5Å; Y1144-N1164 CarbonylContact O-C 3.48Å; Y1144-N1164 VanDerWaalsContact O-CA 3.31Å; Y1144-N1164 WeakPolarHBondContact O-CA 3.36Å; Y1144-F1165 HydrophobicContact CD2-CE2 4.2Å; Y1144-F1165 HydrophobicContact CD2-CZ 4.34Å; Y1144-F1165 HydrophobicContact CG-CE2 4.39Å; Y1144-F1165 HydrophobicContact CG-CZ 4.09Å; Y1144-F1165 PolarHBondContact N-O 3.28Å; Y1144-F1165 PolarHBondContact O-N 3.4Å; Y1144-T1167 HydrophobicContact CD2-CG2 3.94Å; Y1144-T1167 HydrophobicContact CE2-CG2 3.75Å
1145R90.5Very high88.4Confident99 Ų9946.1 Ų46.137%0.37423%0.229SC..EExtended strand (participates in β ladder)trans-117.9119.5173.8176.9175.6-66.7163.74.9108.6C1099 L1101 P1162 N1164C1099-R1145 PolarHBondContact N-O 3.48Å; C1099-R1145 PolarHBondContact O-N 2.77Å; L1101-R1145 HydrophobicContact CD1-CB 4.19Å; L1101-R1145 HydrophobicContact CD2-CB 3.8Å; L1101-R1145 HydrophobicContact CG-CB 3.96Å; R1145-P1162 HydrophobicContact CG-CB 3.66Å; R1145-N1164 WeakPolarHBondContact CB-OD1 3.48Å; R1145-N1164 WeakPolarHBondContact CG-OD1 3.21Å; R1145-N1164 PolarHBondContact NE-OD1 3.3Å; R1145-N1164 VanDerWaalsContact NE-OD1 3.11Å
1146L92.1Very high88.4Confident0 Ų050.2 Ų50.20%025%0.247CC..EExtended strand (participates in β ladder)trans-120.1136.8-178.2178.7155000110.4P1065 V1078 V1096 E1097 L1098 I1135 V1148 P1162 L1163 F1165P1065-L1146 HydrophobicContact CB-CD2 4.27Å; P1065-L1146 HydrophobicContact CG-CD2 3.54Å; V1078-L1146 HydrophobicContact CG1-CD1 4.32Å; V1078-L1146 HydrophobicContact CG1-CD2 4.03Å; V1078-L1146 HydrophobicContact CG2-CD1 3.93Å; V1096-L1146 HydrophobicContact CG1-CD1 3.73Å; V1096-L1146 HydrophobicContact CG1-CD2 3.91Å; V1096-L1146 HydrophobicContact CG1-CG 3.7Å; E1097-L1146 WeakPolarHBondContact O-CA 3.44Å; L1098-L1146 HydrophobicContact CD1-CB 3.95Å; L1098-L1146 HydrophobicContact CD1-CD1 4.26Å; I1135-L1146 HydrophobicContact CD1-CD1 3.38Å; L1146-V1148 HydrophobicContact CD2-CG2 3.9Å; L1146-P1162 CarbonylContact O-C 3.27Å; L1146-P1162 WeakPolarHBondContact O-CA 3.4Å; L1146-L1163 PolarHBondContact N-O 3.4Å; L1146-L1163 PolarHBondContact O-N 3.5Å; L1146-F1165 HydrophobicContact CB-CE1 4.01Å; L1146-F1165 HydrophobicContact CD1-CE1 4.28Å
1147R93.2Very high88.4Confident91 Ų9146 Ų4634%0.34323%0.23SC..EExtended strand (participates in β ladder)trans-137.2152.4172.859.3-174.8-168.5178.2-2.5111.3E1097 W1159 S1160E1097-R1147 HydrophobicContact CB-CG 4.34Å; E1097-R1147 PolarHBondContact N-O 3.44Å; E1097-R1147 PolarHBondContact O-N 2.88Å; E1097-R1147 IonicContact OE1-NH2 3.16Å; E1097-R1147 IonicContact OE2-CZ 2.68Å; E1097-R1147 IonicContact OE2-NE 3.6Å; E1097-R1147 PolarHBondContact OE2-NE 3.19Å; E1097-R1147 IonicContact OE2-NH2 3.82Å; E1097-R1147 PolarHBondContact OE2-NH2 2.93Å; R1147-W1159 HydrophobicContact CB-CB 4.35Å; R1147-W1159 HydrophobicContact CB-CE3 4.22Å; R1147-W1159 HydrophobicContact CG-CB 4.24Å; R1147-W1159 HydrophobicContact CG-CD2 3.9Å; R1147-W1159 HydrophobicContact CG-CE3 3.66Å; R1147-W1159 HydrophobicContact CG-CG 4.18Å; R1147-W1159 HydrophobicContact CG-CZ3 4.3Å; R1147-S1160 WeakPolarHBondContact CA-OG 3.05Å
1148V93.8Very high88.7Confident0 Ų040.5 Ų40.50%021%0.208CC..EExtended strand (participates in β ladder)trans-125.4137-176.2-172.80000109.8V1062 P1065 W1080 Y1094 E1095 V1096 L1146 S1160V1062-V1148 HydrophobicContact CB-CB 4.47Å; V1062-V1148 HydrophobicContact CG1-CB 4.33Å; V1062-V1148 HydrophobicContact CG1-CG1 4.36Å; V1062-V1148 HydrophobicContact CG2-CG1 4.33Å; P1065-V1148 HydrophobicContact CB-CG2 4.01Å; P1065-V1148 HydrophobicContact CG-CG2 3.98Å; W1080-V1148 HydrophobicContact CD2-CG1 3.94Å; W1080-V1148 HydrophobicContact CD2-CG2 4.23Å; W1080-V1148 HydrophobicContact CE3-CG2 4.11Å; W1080-V1148 HydrophobicContact CG-CG1 4.14Å; W1080-V1148 HydrophobicContact CZ2-CG1 4.25Å; Y1094-V1148 HydrophobicContact CD1-CG1 4.3Å; E1095-V1148 WeakPolarHBondContact O-CA 3.39Å; V1096-V1148 HydrophobicContact CG1-CG2 4.22Å; V1096-V1148 HydrophobicContact CG2-CG1 4.22Å; V1096-V1148 HydrophobicContact CG2-CG2 4.02Å; L1146-V1148 HydrophobicContact CD2-CG2 3.9Å; V1148-S1160 PolarHBondContact N-OG 3.24Å; V1148-S1160 WeakPolarHBondContact O-CB 3.12Å; V1148-S1160 PolarHBondContact O-N 2.99Å
1149R94Very high89Confident39 Ų3942.5 Ų42.515%0.14722%0.215CC..EExtended strand (participates in β ladder)trans-124.5155.1166.965.5-176.5170.2179.3-5.3110.9Y1094 E1095 Q1156 G1157 A1158 W1159Y1094-R1149 CarbonylContact C-O 3.47Å; Y1094-R1149 VanDerWaalsContact CA-O 3.26Å; Y1094-R1149 WeakPolarHBondContact CA-O 3.48Å; E1095-R1149 HydrophobicContact CB-CG 3.96Å; E1095-R1149 PolarHBondContact N-O 3.25Å; E1095-R1149 PolarHBondContact O-N 2.92Å; E1095-R1149 IonicContact OE1-NE 3.98Å; E1095-R1149 IonicContact OE1-NH2 2.74Å; E1095-R1149 IonicContact OE2-CZ 3.27Å; E1095-R1149 IonicContact OE2-NE 2.69Å; E1095-R1149 PolarHBondContact OE2-NE 3.07Å; E1095-R1149 IonicContact OE2-NH2 2.94Å; E1095-R1149 PolarHBondContact OE2-NH2 3.4Å; R1149-Q1156 VanDerWaalsContact CZ-OE1 3.25Å; R1149-Q1156 VanDerWaalsContact NH2-NE2 3.12Å; R1149-Q1156 VanDerWaalsContact NH2-OE1 3.1Å; R1149-G1157 WeakPolarHBondContact CD-O 3.18Å; R1149-A1158 WeakPolarHBondContact CB-O 3.47Å; R1149-W1159 HydrophobicContact CB-CD2 4.08Å; R1149-W1159 HydrophobicContact CB-CE3 3.72Å; R1149-W1159 HydrophobicContact CB-CZ3 4.1Å; R1149-W1159 HydrophobicContact CG-CD2 4.07Å; R1149-W1159 HydrophobicContact CG-CE3 3.68Å; R1149-W1159 HydrophobicContact CG-CH2 3.86Å; R1149-W1159 HydrophobicContact CG-CZ2 4.25Å; R1149-W1159 HydrophobicContact CG-CZ3 3.58Å
1150A94.2Very high89.5Confident0 Ų039 Ų390%020%0.197CC..EExtended strand (participates in β ladder)trans-103.9141.8173.400000109.6P1059 V1062 P1083 I1091 Y1094 G1157P1059-A1150 HydrophobicContact CB-CB 3.97Å; P1059-A1150 HydrophobicContact CG-CB 4.26Å; P1059-A1150 WeakPolarHBondContact CG-O 3.21Å; V1062-A1150 HydrophobicContact CG2-CB 4.08Å; P1083-A1150 HydrophobicContact CG-CB 3.65Å; I1091-A1150 HydrophobicContact CD1-CB 4.11Å; I1091-A1150 HydrophobicContact CG2-CB 3.94Å; Y1094-A1150 HydrophobicContact CD1-CB 3.75Å; Y1094-A1150 HydrophobicContact CE1-CB 3.64Å; A1150-G1157 VanDerWaalsContact O-CA 3.26Å; A1150-G1157 WeakPolarHBondContact O-CA 3.36Å; A1150-G1157 PolarHBondContact O-N 2.85Å
1151N92.8Very high89.8Confident12 Ų1245 Ų456%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-115.5141.3179.8-62.5-20.9000110.5I1091 K1092 D1093 E1095 G1155 Q1156I1091-N1151 CarbonylContact C-O 3.56Å; I1091-N1151 WeakPolarHBondContact CA-O 3.33Å; K1092-N1151 PolarHBondContact N-O 2.78Å; D1093-N1151 PolarHBondContact O-N 3.02Å; D1093-N1151 VanDerWaalsContact OD1-CB 3.26Å; D1093-N1151 WeakPolarHBondContact OD1-CB 3.34Å; D1093-N1151 PolarHBondContact OD1-ND2 2.88Å; E1095-N1151 PolarHBondContact OE1-ND2 3.38Å; N1151-G1155 WeakPolarHBondContact CA-O 3.28Å; N1151-Q1156 VanDerWaalsContact OD1-CA 3.31Å; N1151-Q1156 WeakPolarHBondContact OD1-CA 3.46Å; N1151-Q1156 WeakPolarHBondContact OD1-CG 3.23Å
1152N90.4Very high90.2Very high3 Ų347.3 Ų47.32%0.01624%0.238CC..  trans-128.5-158.2175.571.99.5000111.8V1057 P1059 T1086 A1089 E1090 I1091 K1092 A1154 G1155V1057-N1152 PolarHBondContact O-ND2 2.9Å; P1059-N1152 HydrophobicContact CG-CB 3.85Å; T1086-N1152 PolarHBondContact O-ND2 3.31Å; A1089-N1152 HydrophobicContact CB-CB 4.16Å; E1090-N1152 VanDerWaalsContact O-CB 3.32Å; E1090-N1152 WeakPolarHBondContact O-CB 3.06Å; I1091-N1152 HydrophobicContact CD1-CB 4.36Å; K1092-N1152 WeakPolarHBondContact CE-O 3.48Å; K1092-N1152 PolarHBondContact NZ-O 2.84Å; N1152-A1154 VanDerWaalsContact C-N 3.34Å; N1152-A1154 WeakPolarHBondContact OD1-CA 3.5Å; N1152-A1154 WeakPolarHBondContact OD1-CB 3.21Å; N1152-A1154 PolarHBondContact OD1-N 3.21Å; N1152-G1155 PolarHBondContact N-O 3.4Å; N1152-G1155 PolarHBondContact OD1-N 2.95Å
1153I86.8Confident90.6Very high121 Ų12142.8 Ų42.862%0.62122%0.223SC*.SBendtrans-70.1-27.1176.369.7-176.7000113.8A1056 A1089A1056-I1153 HydrophobicContact CB-CD1 4.49Å; A1056-I1153 HydrophobicContact CB-CG1 4.31Å; A1089-I1153 HydrophobicContact CB-CD1 3.76Å; A1089-I1153 HydrophobicContact CB-CG1 3.6Å
1154A84Confident90.9Very high42 Ų4245.6 Ų45.635%0.34724%0.236SC..SBendtrans-84.1-27.4-178.400000112.7A1056 H1058 N1152A1056-A1154 HydrophobicContact CB-CB 4.21Å; A1056-A1154 VanDerWaalsContact O-CB 3.26Å; A1056-A1154 WeakPolarHBondContact O-CB 3.49Å; H1058-A1154 PolarHBondContact CE1-O 2.87Å; H1058-A1154 PolarHBondContact ND1-O 2.86Å; N1152-A1154 VanDerWaalsContact C-N 3.34Å; N1152-A1154 WeakPolarHBondContact OD1-CA 3.5Å; N1152-A1154 WeakPolarHBondContact OD1-CB 3.21Å; N1152-A1154 PolarHBondContact OD1-N 3.21Å
1155G86.8Confident90.9Very high24 Ų2445.8 Ų45.825%0.24724%0.237CC..  trans148.4-152.4170.600000113.6H1058 N1151 N1152H1058-G1155 WeakPolarHBondContact ND1-CA 2.95Å; H1058-G1155 PolarHBondContact ND1-N 3.45Å; N1151-G1155 WeakPolarHBondContact CA-O 3.28Å; N1152-G1155 PolarHBondContact N-O 3.4Å; N1152-G1155 PolarHBondContact OD1-N 2.95Å
1156Q91.6Very high90.9Very high97 Ų9747.5 Ų47.545%0.45324%0.244SC..BIsolated β-bridgetrans-83.6126.5-176.3-67.7172.5-23.300111.6H1058 E1095 R1149 N1151H1058-Q1156 WeakPolarHBondContact CB-O 3.41Å; E1095-Q1156 PolarHBondContact OE1-NE2 2.98Å; R1149-Q1156 VanDerWaalsContact CZ-OE1 3.25Å; R1149-Q1156 VanDerWaalsContact NH2-NE2 3.12Å; R1149-Q1156 VanDerWaalsContact NH2-OE1 3.1Å; N1151-Q1156 VanDerWaalsContact OD1-CA 3.31Å; N1151-Q1156 WeakPolarHBondContact OD1-CA 3.46Å; N1151-Q1156 WeakPolarHBondContact OD1-CG 3.23Å
1157G90.4Very high90.7Very high6 Ų647.7 Ų47.76%0.06225%0.245CC..PPolyproline II helixtrans-69.6171.8177.200000113.8P1059 R1149 A1150P1059-G1157 VanDerWaalsContact O-CA 3.25Å; P1059-G1157 WeakPolarHBondContact O-CA 3.42Å; R1149-G1157 WeakPolarHBondContact CD-O 3.18Å; A1150-G1157 VanDerWaalsContact O-CA 3.26Å; A1150-G1157 WeakPolarHBondContact O-CA 3.36Å; A1150-G1157 PolarHBondContact O-N 2.85Å
1158A90.1Very high90.3Very high52 Ų5245 Ų4543%0.4324%0.242SC..PPolyproline II helixtrans-62.1143.1168.300000110.4P1059 P1061 R1149P1059-A1158 PolarHBondContact O-N 3.43Å; P1061-A1158 HydrophobicContact CB-CB 4.09Å; R1149-A1158 WeakPolarHBondContact CB-O 3.47Å
1159W92.9Very high89.7Confident53 Ų5346.6 Ų46.620%0.20125%0.253CS..PPolyproline II helixtrans-66.5147.4170.1-66.4109000110.8E1095 E1097 R1147 R1149E1095-W1159 HydrophobicContact CB-CH2 4.18Å; E1095-W1159 HydrophobicContact CB-CZ3 4.37Å; E1097-W1159 HydrophobicContact CB-CE3 4.49Å; E1097-W1159 HydrophobicContact CB-CH2 3.46Å; E1097-W1159 VanDerWaalsContact CB-CH2 3.46Å; E1097-W1159 HydrophobicContact CB-CZ2 4.11Å; E1097-W1159 HydrophobicContact CB-CZ3 3.66Å; E1097-W1159 HydrophobicContact CG-CH2 4.34Å; E1097-W1159 WeakPolarHBondContact OE2-CZ2 3.44Å; R1147-W1159 HydrophobicContact CB-CB 4.35Å; R1147-W1159 HydrophobicContact CB-CE3 4.22Å; R1147-W1159 HydrophobicContact CG-CB 4.24Å; R1147-W1159 HydrophobicContact CG-CD2 3.9Å; R1147-W1159 HydrophobicContact CG-CE3 3.66Å; R1147-W1159 HydrophobicContact CG-CG 4.18Å; R1147-W1159 HydrophobicContact CG-CZ3 4.3Å; R1149-W1159 HydrophobicContact CB-CD2 4.08Å; R1149-W1159 HydrophobicContact CB-CE3 3.72Å; R1149-W1159 HydrophobicContact CB-CZ3 4.1Å; R1149-W1159 HydrophobicContact CG-CD2 4.07Å; R1149-W1159 HydrophobicContact CG-CE3 3.68Å; R1149-W1159 HydrophobicContact CG-CH2 3.86Å; R1149-W1159 HydrophobicContact CG-CZ2 4.25Å; R1149-W1159 HydrophobicContact CG-CZ3 3.58Å
1160S93.7Very high89Confident6 Ų646.8 Ų46.84%0.04226%0.26CS..PPolyproline II helixtrans-60.4159.3167.2720000111.5V1062 R1147 V1148V1062-S1160 VanDerWaalsContact O-CA 3.28Å; V1062-S1160 WeakPolarHBondContact O-CA 3.38Å; V1062-S1160 WeakPolarHBondContact O-CB 3.08Å; R1147-S1160 WeakPolarHBondContact CA-OG 3.05Å; V1148-S1160 PolarHBondContact N-OG 3.24Å; V1148-S1160 WeakPolarHBondContact O-CB 3.12Å; V1148-S1160 PolarHBondContact O-N 2.99Å
1161E89.6Confident88.1Confident142 Ų14247.8 Ų47.866%0.66427%0.268SS*.PPolyproline II helixtrans-49.9141156.3-71.7-56.2138.700110.4V1064 L1163V1064-E1161 HydrophobicContact CB-CB 4.3Å; E1161-L1163 PolarHBondContact O-N 2.81Å
1162P89.6Confident87.5Confident48 Ų4847.3 Ų47.331%0.31227%0.265SS..PPolyproline II helixtrans-72.2122.3-174.325.2-31.1000112.2R1145 L1146 N1164R1145-P1162 HydrophobicContact CG-CB 3.66Å; L1146-P1162 CarbonylContact O-C 3.27Å; L1146-P1162 WeakPolarHBondContact O-CA 3.4Å; P1162-N1164 PolarHBondContact O-N 3.14Å; P1162-N1164 VanDerWaalsContact O-N 3.15Å
1163L91.9Very high87.1Confident24 Ų2450.3 Ų50.313%0.12628%0.282CS..EExtended strand (participates in β ladder)trans-7599.9160.8174.768.9000108.4V1064 P1065 I1067 V1078 L1146 E1161 F1165V1064-L1163 HydrophobicContact CG2-CB 4.4Å; P1065-L1163 HydrophobicContact CG-CB 3.7Å; P1065-L1163 HydrophobicContact CG-CD2 4.2Å; I1067-L1163 HydrophobicContact CD1-CD2 4.45Å; I1067-L1163 HydrophobicContact CG1-CD1 4.47Å; I1067-L1163 HydrophobicContact CG1-CD2 3.89Å; V1078-L1163 HydrophobicContact CG1-CD2 4.38Å; L1146-L1163 PolarHBondContact N-O 3.4Å; L1146-L1163 PolarHBondContact O-N 3.5Å; E1161-L1163 PolarHBondContact O-N 2.81Å; L1163-F1165 HydrophobicContact CD2-CD1 4.34Å; L1163-F1165 HydrophobicContact CG-CD1 4.3Å
1164N91.7Very high87.1Confident87 Ų8746.7 Ų46.747%0.46527%0.266SS..EExtended strand (participates in β ladder)trans-78.7126.8164.7-58.9-47.1000108.7Y1144 R1145 P1162Y1144-N1164 CarbonylContact O-C 3.48Å; Y1144-N1164 VanDerWaalsContact O-CA 3.31Å; Y1144-N1164 WeakPolarHBondContact O-CA 3.36Å; R1145-N1164 WeakPolarHBondContact CB-OD1 3.48Å; R1145-N1164 WeakPolarHBondContact CG-OD1 3.21Å; R1145-N1164 PolarHBondContact NE-OD1 3.3Å; R1145-N1164 VanDerWaalsContact NE-OD1 3.11Å; P1162-N1164 PolarHBondContact O-N 3.14Å; P1162-N1164 VanDerWaalsContact O-N 3.15Å
1165F89.3Confident87.3Confident16 Ų1644.8 Ų44.87%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-143.3154.1174.572.6-85.4000110.7I1067 V1071 V1076 L1098 L1138 Y1144 L1146 L1163 T1167I1067-F1165 HydrophobicContact CD1-CB 3.91Å; I1067-F1165 HydrophobicContact CD1-CG 4.45Å; V1071-F1165 HydrophobicContact CG1-CD2 4.11Å; V1071-F1165 HydrophobicContact CG1-CE2 4.36Å; V1076-F1165 HydrophobicContact CB-CE2 3.94Å; V1076-F1165 HydrophobicContact CB-CZ 4.19Å; V1076-F1165 HydrophobicContact CG1-CE1 4.32Å; V1076-F1165 HydrophobicContact CG1-CE2 3.87Å; V1076-F1165 HydrophobicContact CG1-CZ 3.59Å; V1076-F1165 HydrophobicContact CG2-CD2 4.41Å; V1076-F1165 HydrophobicContact CG2-CE2 4.21Å; L1098-F1165 HydrophobicContact CD1-CE1 4.07Å; L1098-F1165 HydrophobicContact CD1-CZ 4.19Å; L1138-F1165 HydrophobicContact CD1-CE2 3.97Å; L1138-F1165 HydrophobicContact CD1-CZ 3.96Å; Y1144-F1165 HydrophobicContact CD2-CE2 4.2Å; Y1144-F1165 HydrophobicContact CD2-CZ 4.34Å; Y1144-F1165 HydrophobicContact CG-CE2 4.39Å; Y1144-F1165 HydrophobicContact CG-CZ 4.09Å; Y1144-F1165 PolarHBondContact N-O 3.28Å; Y1144-F1165 PolarHBondContact O-N 3.4Å; L1146-F1165 HydrophobicContact CB-CE1 4.01Å; L1146-F1165 HydrophobicContact CD1-CE1 4.28Å; L1163-F1165 HydrophobicContact CD2-CD1 4.34Å; L1163-F1165 HydrophobicContact CG-CD1 4.3Å; F1165-T1167 HydrophobicContact CE2-CG2 4.27Å
1166R89.3Confident87.3Confident135 Ų13546.9 Ų46.951%0.50926%0.256SS..EExtended strand (participates in β ladder)trans-107.3134.3173.4-161.3177178-156.5-5.5109.4G1141 R1142G1141-R1166 VanDerWaalsContact O-CZ 3.24Å; G1141-R1166 PolarHBondContact O-NE 2.72Å; G1141-R1166 PolarHBondContact O-NH2 2.83Å; R1142-R1166 WeakPolarHBondContact O-CA 3.2Å; R1142-R1166 WeakPolarHBondContact O-CG 3.21Å
1167T88Confident87.1Confident3 Ų346.5 Ų46.52%0.01826%0.257CS..PPolyproline II helixtrans-63.2153.217041.90000110.3A1073 L1138 L1139 G1141 R1142 Y1144 F1165A1073-T1167 WeakPolarHBondContact O-CB 3.32Å; L1138-T1167 HydrophobicContact CB-CG2 3.74Å; L1138-T1167 HydrophobicContact CD1-CG2 3.69Å; L1138-T1167 HydrophobicContact CG-CG2 4.38Å; L1139-T1167 PolarHBondContact O-OG1 2.88Å; G1141-T1167 WeakPolarHBondContact CA-O 3.41Å; G1141-T1167 PolarHBondContact N-OG1 3.42Å; R1142-T1167 PolarHBondContact N-OG1 2.81Å; R1142-T1167 PolarHBondContact O-N 3.35Å; R1142-T1167 PolarHBondContact O-OG1 3.18Å; Y1144-T1167 HydrophobicContact CD2-CG2 3.94Å; Y1144-T1167 HydrophobicContact CE2-CG2 3.75Å; F1165-T1167 HydrophobicContact CE2-CG2 4.27Å
1168A84.7Confident87.2Confident35 Ų3547.4 Ų47.429%0.28926%0.26SS..PPolyproline II helixtrans-61.5147.4170.900000109.2K1072 A1073 G1141K1072-A1168 PolarHBondContact O-N 2.84Å; K1072-A1168 VanDerWaalsContact O-N 3.13Å; A1073-A1168 VanDerWaalsContact CA-O 3.27Å; A1073-A1168 WeakPolarHBondContact CA-O 3.5Å; G1141-A1168 PolarHBondContact N-O 2.83Å
1169P81.3Confident87.4Confident34 Ų3448.9 Ų48.922%0.22126%0.255CS..PPolyproline II helixtrans-60.5160.2170.4-24.335.5000112N1199 A1201 V1301P1169-N1199 WeakPolarHBondContact CA-O 3.3Å; P1169-A1201 HydrophobicContact CB-CB 4.12Å; P1169-V1301 HydrophobicContact CB-CG1 4.17Å; P1169-V1301 HydrophobicContact CB-CG2 4.14Å; P1169-V1301 VanDerWaalsContact O-CG1 3.3Å; P1169-V1301 WeakPolarHBondContact O-CG1 3.4Å
1170S79.7Confident87.4Confident42 Ų4248.3 Ų48.329%0.29426%0.258SS..  trans-120.4168.8164.1-176.60000109.3P1140 N1199 A1201 V1301P1140-S1170 VanDerWaalsContact CB-CB 3.43Å; S1170-N1199 PolarHBondContact N-O 3.33Å; S1170-N1199 WeakPolarHBondContact O-CB 3.42Å; S1170-A1201 WeakPolarHBondContact O-CB 3.4Å; S1170-V1301 VanDerWaalsContact CA-CG1 3.48Å
1171A76.3Confident87.3Confident22 Ų2252.5 Ų52.518%0.18228%0.279CS..PPolyproline II helixtrans-53.7139.3168.200000110.2N1199A1171-N1199 PolarHBondContact O-ND2 3.32Å
1172P80.6Confident87.2Confident1 Ų148 Ų481%0.00627%0.267CS..PPolyproline II helixtrans-59.8158.5175.2-25.535.8000112.9P1195 A1201 V1294 S1304P1172-P1195 HydrophobicContact CB-CG 4.2Å; P1172-A1201 HydrophobicContact CG-CB 4.23Å; P1172-V1294 HydrophobicContact CB-CG2 4.46Å; P1172-V1294 HydrophobicContact CG-CG1 4.24Å; P1172-S1304 WeakPolarHBondContact O-CA 3.39Å; P1172-S1304 WeakPolarHBondContact O-CB 3.34Å
1173D82.1Confident87.2Confident67 Ų6747.5 Ų47.536%0.35826%0.264SS..PPolyproline II helixtrans-65.8169.6168.4-72.212.3000111.1P1195 I1197 N1199 S1304D1173-P1195 HydrophobicContact CB-CB 4.12Å; D1173-P1195 VanDerWaalsContact O-CB 3.22Å; D1173-P1195 WeakPolarHBondContact O-CB 3.31Å; D1173-I1197 PolarHBondContact N-O 2.95Å; D1173-I1197 VanDerWaalsContact N-O 3.09Å; D1173-N1199 PolarHBondContact OD1-ND2 3Å; D1173-S1304 WeakPolarHBondContact O-CB 3.39Å
1174C85.7Confident87.1Confident44 Ų4449.4 Ų49.430%0.29728%0.277SS..PPolyproline II helixtrans-70.5144.2-179.661.20000112.3P1305C1174-P1305 HydrophobicContact CB-CB 4.29Å; C1174-P1305 WeakPolarHBondContact CB-O 3.32Å
1175P87.5Confident86.9Confident3 Ų346.1 Ų46.12%0.01926%0.262CS..PPolyproline II helixtrans-63.8147.1176-17.930.6000111.7Y1206 V1292 V1294P1175-Y1206 HydrophobicContact CB-CE1 4.25Å; P1175-Y1206 HydrophobicContact CG-CD1 3.96Å; P1175-Y1206 HydrophobicContact CG-CE1 3.95Å; P1175-V1292 HydrophobicContact CB-CG1 3.76Å; P1175-V1292 HydrophobicContact CG-CG1 3.92Å; P1175-V1292 HydrophobicContact CG-CG2 4.33Å; P1175-V1294 HydrophobicContact CG-CG2 4.11Å
1176L86.7Confident86.9Confident67 Ų6749.2 Ų49.235%0.35128%0.279SS..EExtended strand (participates in β ladder)trans-101.5162.1-168.4-61.6177.5000112.2L1178 N1193 L1196L1176-L1178 VanDerWaalsContact C-N 3.3Å; L1176-L1178 PolarHBondContact O-N 2.82Å; L1176-N1193 HydrophobicContact CB-CB 4.46Å; L1176-N1193 PolarHBondContact N-O 2.93Å; L1176-N1193 PolarHBondContact O-N 2.87Å; L1176-L1196 HydrophobicContact CD1-CB 4.29Å; L1176-L1196 HydrophobicContact CD1-CD1 3.66Å; L1176-L1196 HydrophobicContact CD1-CG 3.58Å
1177D88.3Confident87Confident90 Ų9043.3 Ų43.348%0.48126%0.259SS..EExtended strand (participates in β ladder)trans52.844.3168.3-172.230.6000113.4R1179 N1193D1177-R1179 WeakPolarHBondContact O-CG 3.44Å; D1177-R1179 PolarHBondContact O-N 2.91Å; D1177-R1179 VanDerWaalsContact O-N 3.11Å; D1177-R1179 PolarHBondContact O-NH1 2.94Å; D1177-R1179 IonicContact OD2-CZ 3.12Å; D1177-R1179 IonicContact OD2-NE 2.94Å; D1177-R1179 IonicContact OD2-NH1 2.71Å; D1177-R1179 PolarHBondContact OD2-NH1 2.87Å; D1177-R1179 IonicContact OD2-NH2 3.68Å; D1177-N1193 HydrophobicContact CB-CB 4.45Å; D1177-N1193 VanDerWaalsContact CB-ND2 3.31Å; D1177-N1193 WeakPolarHBondContact CB-ND2 3.48Å; D1177-N1193 PolarHBondContact OD2-ND2 2.96Å
1178L92.5Very high87.2Confident24 Ų2443.2 Ų43.213%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-65.5110174.9-178.167.2000109.2L1176 I1190 A1191 W1192 L1208 F1290 V1292 S1307 L1310L1176-L1178 VanDerWaalsContact C-N 3.3Å; L1176-L1178 PolarHBondContact O-N 2.82Å; L1178-I1190 HydrophobicContact CD1-CG2 3.44Å; L1178-I1190 VanDerWaalsContact CD1-CG2 3.44Å; L1178-I1190 HydrophobicContact CG-CG2 4.32Å; L1178-A1191 WeakPolarHBondContact CA-O 3.18Å; L1178-W1192 HydrophobicContact CD1-CB 4.07Å; L1178-W1192 HydrophobicContact CD1-CE3 3.94Å; L1178-L1208 HydrophobicContact CD1-CD1 4.21Å; L1178-F1290 HydrophobicContact CD2-CB 4.37Å; L1178-F1290 WeakPolarHBondContact CD2-O 3.1Å; L1178-V1292 HydrophobicContact CD1-CB 4.3Å; L1178-V1292 HydrophobicContact CD1-CG1 3.9Å; L1178-V1292 HydrophobicContact CD2-CG1 4.35Å; L1178-V1292 HydrophobicContact CG-CG1 4.48Å; L1178-S1307 VanDerWaalsContact CD2-OG 3.28Å; L1178-S1307 WeakPolarHBondContact CD2-OG 3.19Å; L1178-L1310 HydrophobicContact CD2-CB 3.71Å; L1178-L1310 HydrophobicContact CG-CB 3.82Å; L1178-L1310 HydrophobicContact CG-CD2 4.01Å
1179R93.3Very high87.6Confident83 Ų8344.3 Ų44.331%0.31326%0.257SS..EExtended strand (participates in β ladder)trans-137.2152.9-169.363.9-165.3177.5-79.912.3111.9D1177 I1181 I1190 A1191 N1193 L1310D1177-R1179 WeakPolarHBondContact O-CG 3.44Å; D1177-R1179 PolarHBondContact O-N 2.91Å; D1177-R1179 VanDerWaalsContact O-N 3.11Å; D1177-R1179 PolarHBondContact O-NH1 2.94Å; D1177-R1179 IonicContact OD2-CZ 3.12Å; D1177-R1179 IonicContact OD2-NE 2.94Å; D1177-R1179 IonicContact OD2-NH1 2.71Å; D1177-R1179 PolarHBondContact OD2-NH1 2.87Å; D1177-R1179 IonicContact OD2-NH2 3.68Å; R1179-I1181 HydrophobicContact CG-CG2 4.15Å; R1179-I1190 WeakPolarHBondContact O-CA 3.3Å; R1179-A1191 HydrophobicContact CG-CB 4.36Å; R1179-A1191 PolarHBondContact N-O 2.99Å; R1179-A1191 PolarHBondContact O-N 2.76Å; R1179-N1193 VanDerWaalsContact CZ-OD1 3.28Å; R1179-N1193 PolarHBondContact NH1-OD1 2.91Å; R1179-N1193 PolarHBondContact NH2-OD1 2.84Å; R1179-L1310 VanDerWaalsContact C-CD2 3.44Å
1180C93.1Very high88.2Confident42 Ų4242.7 Ų42.728%0.28425%0.246SC..EExtended strand (participates in β ladder)trans-97.8125.3170.7-178.40000109.4A1182 H1189 I1190 L1310 C1312C1180-A1182 PolarHBondContact SG-O 3.43Å; C1180-H1189 CarbonylContact C-O 3.55Å; C1180-H1189 WeakPolarHBondContact CA-O 3.06Å; C1180-H1189 PolarHBondContact SG-O 3.01Å; C1180-I1190 HydrophobicContact CB-CD1 3.99Å; C1180-L1310 HydrophobicContact CB-CD2 4.22Å; C1180-C1312 WeakPolarHBondContact CB-SG 3.3Å
1181I91.4Very high88.9Confident94 Ų9441 Ų4148%0.48224%0.235SC..EExtended strand (participates in β ladder)trans-103.9-14.9-176.358.2172.1000113.3R1179 H1189 A1191R1179-I1181 HydrophobicContact CG-CG2 4.15Å; I1181-H1189 HydrophobicContact CG1-CB 3.93Å; I1181-H1189 PolarHBondContact N-O 3.5Å; I1181-A1191 HydrophobicContact CD1-CB 4.08Å; I1181-A1191 HydrophobicContact CG1-CB 4.43Å; I1181-A1191 HydrophobicContact CG2-CB 4.15Å
1182A88.5Confident89.8Confident48 Ų4840 Ų4040%0.39723%0.227SC..EExtended strand (participates in β ladder)trans-155.8143.3169.400000111.2C1180 H1189C1180-A1182 PolarHBondContact SG-O 3.43Å; A1182-H1189 HydrophobicContact CB-CB 3.95Å; A1182-H1189 PolarHBondContact O-N 2.87Å
1183S89.9Confident90.3Very high37 Ų3742.7 Ų42.726%0.25924%0.24SC..EExtended strand (participates in β ladder)trans-130.4128.9175.2173.70000110.6L1188 R1313S1183-L1188 VanDerWaalsContact CB-CD2 3.5Å; S1183-L1188 VanDerWaalsContact OG-CD2 3.26Å; S1183-L1188 WeakPolarHBondContact OG-CD2 3.22Å; S1183-R1313 PolarHBondContact OG-O 3.25Å
1184T90.2Very high90.4Very high64 Ų6442.3 Ų42.339%0.39324%0.242SC..  trans-118.6-177.8171.778.90000109.6N1186 S1187 T1314 Q1315T1184-N1186 PolarHBondContact O-N 2.89Å; T1184-N1186 PolarHBondContact OG1-N 3.21Å; T1184-S1187 PolarHBondContact N-O 2.9Å; T1184-S1187 PolarHBondContact OG1-N 2.83Å; T1184-S1187 PolarHBondContact OG1-O 2.67Å; T1184-S1187 PolarHBondContact OG1-OG 2.79Å; T1184-T1314 WeakPolarHBondContact O-CA 3.24Å; T1184-T1314 WeakPolarHBondContact O-CB 3.39Å; T1184-Q1315 PolarHBondContact O-N 3.02Å
1185A86.4Confident90.4Very high18 Ų1840.5 Ų40.515%0.14923%0.23CC..SBendtrans-68.4-23174.900000113.5L1283 P1284 Q1315A1185-L1283 CarbonylContact O-C 3.41Å; A1185-P1284 HydrophobicContact CB-CB 4.3Å; A1185-P1284 HydrophobicContact CB-CG 4.31Å; A1185-P1284 WeakPolarHBondContact O-CA 3.15Å; A1185-P1284 WeakPolarHBondContact O-CG 3.25Å; A1185-Q1315 WeakPolarHBondContact CA-O 3.12Å
1186N89Confident89.9Confident80 Ų8047.7 Ų47.743%0.42827%0.267SS..SBendtrans-132.84.5-172.9-63.7100000114.2T1184 R1280 L1281 L1282T1184-N1186 PolarHBondContact O-N 2.89Å; T1184-N1186 PolarHBondContact OG1-N 3.21Å; N1186-R1280 CarbonylContact O-C 3.51Å; N1186-L1281 PolarHBondContact O-N 3.08Å; N1186-L1282 WeakPolarHBondContact CA-O 3.44Å; N1186-L1282 PolarHBondContact ND2-O 2.92Å; N1186-L1282 PolarHBondContact O-N 3Å
1187S90.9Very high89.3Confident12 Ų1248.9 Ų48.98%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-148151.3173.568.20000113.9T1184 E1278 V1279T1184-S1187 PolarHBondContact N-O 2.9Å; T1184-S1187 PolarHBondContact OG1-N 2.83Å; T1184-S1187 PolarHBondContact OG1-O 2.67Å; T1184-S1187 PolarHBondContact OG1-OG 2.79Å; S1187-E1278 WeakPolarHBondContact CB-OE1 3.38Å; S1187-E1278 PolarHBondContact OG-OE1 2.79Å; S1187-V1279 CarbonylContact C-O 3.41Å; S1187-V1279 WeakPolarHBondContact CA-O 3.26Å; S1187-V1279 WeakPolarHBondContact CB-O 3.34Å
1188L92.8Very high88.8Confident0 Ų048.5 Ų48.50%027%0.27CS..EExtended strand (participates in β ladder)trans-127.2124.5172.6-68.4174.2000108.6S1183 I1190 V1279 L1282 Y1288 F1290 C1312 T1314S1183-L1188 VanDerWaalsContact CB-CD2 3.5Å; S1183-L1188 VanDerWaalsContact OG-CD2 3.26Å; S1183-L1188 WeakPolarHBondContact OG-CD2 3.22Å; L1188-I1190 HydrophobicContact CB-CD1 4.03Å; L1188-V1279 PolarHBondContact N-O 3.33Å; L1188-V1279 PolarHBondContact O-N 2.8Å; L1188-L1282 HydrophobicContact CB-CD1 3.83Å; L1188-L1282 HydrophobicContact CD1-CD1 3.7Å; L1188-L1282 HydrophobicContact CG-CD1 3.55Å; L1188-Y1288 HydrophobicContact CD1-CD2 4.26Å; L1188-F1290 HydrophobicContact CD1-CE2 3.6Å; L1188-F1290 HydrophobicContact CD1-CZ 3.91Å; L1188-C1312 HydrophobicContact CD1-CB 3.84Å; L1188-C1312 HydrophobicContact CD2-CB 4.45Å; L1188-T1314 HydrophobicContact CD1-CG2 4.32Å; L1188-T1314 HydrophobicContact CD2-CG2 4.31Å; L1188-T1314 HydrophobicContact CG-CG2 4.02Å
1189H93.6Very high87.8Confident59 Ų5948.2 Ų48.227%0.27327%0.269SS..EExtended strand (participates in β ladder)trans-92.5111175.4-162.4173000109.1C1180 I1181 A1182 H1277 E1278C1180-H1189 CarbonylContact C-O 3.55Å; C1180-H1189 WeakPolarHBondContact CA-O 3.06Å; C1180-H1189 PolarHBondContact SG-O 3.01Å; I1181-H1189 HydrophobicContact CG1-CB 3.93Å; I1181-H1189 PolarHBondContact N-O 3.5Å; A1182-H1189 HydrophobicContact CB-CB 3.95Å; A1182-H1189 PolarHBondContact O-N 2.87Å; H1189-H1277 PolarHBondContact CD2-O 2.96Å; H1189-E1278 HydrophobicContact CB-CG 4.33Å
1190I94.7Very high86.7Confident0 Ų045 Ų450%026%0.262CS..EExtended strand (participates in β ladder)trans-105.8137.6-176.1-49.4-58.1000109L1178 R1179 C1180 L1188 W1192 L1208 S1276 H1277 V1279 F1290 L1310L1178-I1190 HydrophobicContact CD1-CG2 3.44Å; L1178-I1190 VanDerWaalsContact CD1-CG2 3.44Å; L1178-I1190 HydrophobicContact CG-CG2 4.32Å; R1179-I1190 WeakPolarHBondContact O-CA 3.3Å; C1180-I1190 HydrophobicContact CB-CD1 3.99Å; L1188-I1190 HydrophobicContact CB-CD1 4.03Å; I1190-W1192 HydrophobicContact CG2-CE3 4.31Å; I1190-W1192 HydrophobicContact CG2-CZ3 4.36Å; I1190-L1208 HydrophobicContact CB-CD2 4.07Å; I1190-L1208 HydrophobicContact CG1-CD2 4.36Å; I1190-L1208 HydrophobicContact CG2-CD1 4Å; I1190-L1208 HydrophobicContact CG2-CD2 4.32Å; I1190-S1276 CarbonylContact O-C 3.55Å; I1190-S1276 WeakPolarHBondContact O-CA 3.12Å; I1190-H1277 PolarHBondContact N-O 2.99Å; I1190-H1277 PolarHBondContact O-N 2.91Å; I1190-V1279 HydrophobicContact CG1-CG2 4.3Å; I1190-F1290 HydrophobicContact CD1-CD2 3.93Å; I1190-F1290 HydrophobicContact CD1-CE2 4.01Å; I1190-F1290 HydrophobicContact CD1-CG 4.29Å; I1190-F1290 HydrophobicContact CD1-CZ 4.43Å; I1190-F1290 HydrophobicContact CG1-CD1 4.24Å; I1190-F1290 HydrophobicContact CG1-CD2 4.34Å; I1190-F1290 HydrophobicContact CG1-CE1 4.34Å; I1190-F1290 HydrophobicContact CG1-CE2 4.44Å; I1190-F1290 HydrophobicContact CG1-CG 4.24Å; I1190-F1290 HydrophobicContact CG1-CZ 4.43Å; I1190-L1310 HydrophobicContact CD1-CD2 4Å; I1190-L1310 HydrophobicContact CG2-CD2 4.03Å
1191A93.8Very high85.7Confident6 Ų643 Ų435%0.0525%0.248CC..EExtended strand (participates in β ladder)trans-136154.9178.300000111.3L1178 R1179 I1181 L1275L1178-A1191 WeakPolarHBondContact CA-O 3.18Å; R1179-A1191 HydrophobicContact CG-CB 4.36Å; R1179-A1191 PolarHBondContact N-O 2.99Å; R1179-A1191 PolarHBondContact O-N 2.76Å; I1181-A1191 HydrophobicContact CD1-CB 4.08Å; I1181-A1191 HydrophobicContact CG1-CB 4.43Å; I1181-A1191 HydrophobicContact CG2-CB 4.15Å; A1191-L1275 WeakPolarHBondContact CA-O 3.49Å
1192W94.1Very high84.7Confident2 Ų241.4 Ų41.41%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-148.5163.7179.253.693.7000110.4L1178 I1190 Y1206 L1208 F1270 A1274 L1275 H1277 V1292L1178-W1192 HydrophobicContact CD1-CB 4.07Å; L1178-W1192 HydrophobicContact CD1-CE3 3.94Å; I1190-W1192 HydrophobicContact CG2-CE3 4.31Å; I1190-W1192 HydrophobicContact CG2-CZ3 4.36Å; W1192-Y1206 AromaticContact CD1-CD1 3.93Å; W1192-Y1206 AromaticContact CD1-CE1 3.99Å; W1192-Y1206 HydrophobicContact CZ2-CG 4.24Å; W1192-Y1206 AromaticContact NE1-CD1 3.37Å; W1192-Y1206 AromaticContact NE1-CD2 3.57Å; W1192-Y1206 AromaticContact NE1-CE1 3.77Å; W1192-Y1206 AromaticContact NE1-CE2 3.96Å; W1192-Y1206 AromaticContact NE1-CG 3.26Å; W1192-Y1206 VanDerWaalsContact NE1-CG 3.26Å; W1192-L1208 HydrophobicContact CE3-CD1 4.41Å; W1192-L1208 HydrophobicContact CH2-CB 4.24Å; W1192-L1208 HydrophobicContact CH2-CD2 4.36Å; W1192-L1208 HydrophobicContact CZ3-CB 4.43Å; W1192-L1208 HydrophobicContact CZ3-CD1 4.05Å; W1192-L1208 HydrophobicContact CZ3-CD2 4Å; W1192-L1208 HydrophobicContact CZ3-CG 4.39Å; W1192-F1270 AromaticContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CE1 4.1Å; W1192-F1270 HydrophobicContact CZ2-CD1 4.12Å; W1192-F1270 HydrophobicContact CZ2-CE1 4.01Å; W1192-A1274 WeakPolarHBondContact CZ2-O 3.5Å; W1192-L1275 PolarHBondContact N-O 3.09Å; W1192-H1277 HydrophobicContact CH2-CB 4.21Å; W1192-V1292 HydrophobicContact CB-CG1 4.08Å; W1192-V1292 HydrophobicContact CD2-CB 4.41Å; W1192-V1292 HydrophobicContact CD2-CG1 4.34Å; W1192-V1292 HydrophobicContact CD2-CG2 3.96Å; W1192-V1292 HydrophobicContact CE3-CG2 4.49Å; W1192-V1292 HydrophobicContact CG-CG1 4.01Å; W1192-V1292 HydrophobicContact CG-CG2 4.23Å; W1192-V1292 HydrophobicContact CZ2-CG2 4.2Å
1193N90.8Very high84.1Confident56 Ų5641.6 Ų41.630%0.29924%0.237SC..EExtended strand (participates in β ladder)trans-106.1153.6175.1-55.8-16.3000109.1L1176 D1177 R1179L1176-N1193 HydrophobicContact CB-CB 4.46Å; L1176-N1193 PolarHBondContact N-O 2.93Å; L1176-N1193 PolarHBondContact O-N 2.87Å; D1177-N1193 HydrophobicContact CB-CB 4.45Å; D1177-N1193 VanDerWaalsContact CB-ND2 3.31Å; D1177-N1193 WeakPolarHBondContact CB-ND2 3.48Å; D1177-N1193 PolarHBondContact OD2-ND2 2.96Å; R1179-N1193 VanDerWaalsContact CZ-OD1 3.28Å; R1179-N1193 PolarHBondContact NH1-OD1 2.91Å; R1179-N1193 PolarHBondContact NH2-OD1 2.84Å
1194P86Confident83.4Confident60 Ų6042.7 Ų42.739%0.3924%0.242SC..  trans-56.2153.1174.1-23.232.9000112.7I1203 L1275P1194-I1203 HydrophobicContact CB-CD1 4.49Å; P1194-L1275 HydrophobicContact CG-CD1 4.1Å; P1194-L1275 HydrophobicContact CG-CD2 3.96Å
1195P84.4Confident83.1Confident6 Ų642.5 Ų42.54%0.03924%0.237CC..  trans-62.7140.1168.327.7-34.2000111P1172 D1173 I1197 I1203 V1294P1172-P1195 HydrophobicContact CB-CG 4.2Å; D1173-P1195 HydrophobicContact CB-CB 4.12Å; D1173-P1195 VanDerWaalsContact O-CB 3.22Å; D1173-P1195 WeakPolarHBondContact O-CB 3.31Å; P1195-I1197 VanDerWaalsContact C-N 3.27Å; P1195-I1197 PolarHBondContact O-N 2.88Å; P1195-I1203 HydrophobicContact CG-CD1 3.85Å; P1195-V1294 HydrophobicContact CG-CG2 4.39Å
1196L77.6Confident83.3Confident154 Ų15442.1 Ų42.181%0.80623%0.232SC*.SBendtrans-65-29.4178.3-80.6165.4000113.1L1176L1176-L1196 HydrophobicContact CD1-CB 4.29Å; L1176-L1196 HydrophobicContact CD1-CD1 3.66Å; L1176-L1196 HydrophobicContact CD1-CG 3.58Å
1197I74.7Confident83.3Confident91 Ų9141.8 Ų41.847%0.46723%0.225SC..  trans-121.5103.4-178.2-48.9-178.6000108.9D1173 P1195 N1199D1173-I1197 PolarHBondContact N-O 2.95Å; D1173-I1197 VanDerWaalsContact N-O 3.09Å; P1195-I1197 VanDerWaalsContact C-N 3.27Å; P1195-I1197 PolarHBondContact O-N 2.88Å; I1197-N1199 VanDerWaalsContact CG2-OD1 3.31Å; I1197-N1199 WeakPolarHBondContact CG2-OD1 3.18Å; I1197-N1199 PolarHBondContact O-N 3.28Å
1198I76.3Confident83.4Confident82 Ų8241.2 Ų41.242%0.42122%0.221SC..  trans-78.7-4.6177.862.9169.1000113.4G1200 A1201 I1203I1198-G1200 PolarHBondContact O-N 2.81Å; I1198-A1201 PolarHBondContact O-N 2.87Å; I1198-I1203 HydrophobicContact CG2-CD1 4.03Å; I1198-I1203 HydrophobicContact CG2-CG1 4.29Å
1199N73.1Confident83.4Confident19 Ų1941.3 Ų41.310%0.10222%0.221CC..THydrogen-bonded Turntrans51.728.5179.8-73-42000113.8P1140 P1169 S1170 A1171 D1173 I1197 A1201P1140-N1199 CarbonylContact C-O 3.6Å; P1140-N1199 HydrophobicContact CB-CB 3.94Å; P1140-N1199 HydrophobicContact CG-CB 4.46Å; P1140-N1199 CarbonylContact O-C 3.56Å; P1169-N1199 WeakPolarHBondContact CA-O 3.3Å; S1170-N1199 PolarHBondContact N-O 3.33Å; S1170-N1199 WeakPolarHBondContact O-CB 3.42Å; A1171-N1199 PolarHBondContact O-ND2 3.32Å; D1173-N1199 PolarHBondContact OD1-ND2 3Å; I1197-N1199 VanDerWaalsContact CG2-OD1 3.31Å; I1197-N1199 WeakPolarHBondContact CG2-OD1 3.18Å; I1197-N1199 PolarHBondContact O-N 3.28Å; N1199-A1201 PolarHBondContact O-N 2.82Å
1200G69.6Low83.4Confident16 Ų1640.9 Ų40.917%0.16522%0.217CC..THydrogen-bonded Turntrans63.59.4-17400000116.5I1198I1198-G1200 PolarHBondContact O-N 2.81Å
1201A71.1Confident83.1Confident0 Ų041 Ų410%022%0.218CC..PPolyproline II helixtrans-90.5125.5171.100000109.7P1169 S1170 P1172 I1198 N1199 I1203 A1297 V1301P1169-A1201 HydrophobicContact CB-CB 4.12Å; S1170-A1201 WeakPolarHBondContact O-CB 3.4Å; P1172-A1201 HydrophobicContact CG-CB 4.23Å; I1198-A1201 PolarHBondContact O-N 2.87Å; N1199-A1201 PolarHBondContact O-N 2.82Å; A1201-I1203 PolarHBondContact O-N 2.91Å; A1201-A1297 HydrophobicContact CB-CB 3.92Å; A1201-V1301 HydrophobicContact CB-CG2 4.38Å
1202P71.6Confident82.8Confident59 Ų5943 Ų4338%0.38323%0.228SC..PPolyproline II helixtrans-67.3130.7177.128.3-34.4000110.7V1204 A1297 V1298 N1299P1202-V1204 PolarHBondContact O-N 2.83Å; P1202-A1297 HydrophobicContact CG-CB 4.5Å; P1202-A1297 WeakPolarHBondContact O-CB 3.4Å; P1202-V1298 HydrophobicContact CG-CG2 4.46Å; P1202-N1299 VanDerWaalsContact CD-OD1 3.3Å; P1202-N1299 WeakPolarHBondContact CD-OD1 3.29Å
1203I74.7Confident82.1Confident52 Ų5243.6 Ų43.627%0.26723%0.233SC..PPolyproline II helixtrans-69116.8174.4-58179.1000108.3P1194 P1195 I1198 A1201 Y1206 V1294P1194-I1203 HydrophobicContact CB-CD1 4.49Å; P1195-I1203 HydrophobicContact CG-CD1 3.85Å; I1198-I1203 HydrophobicContact CG2-CD1 4.03Å; I1198-I1203 HydrophobicContact CG2-CG1 4.29Å; A1201-I1203 PolarHBondContact O-N 2.91Å; I1203-Y1206 HydrophobicContact CG2-CE1 4.21Å; I1203-Y1206 HydrophobicContact CG2-CE2 3.96Å; I1203-V1294 HydrophobicContact CG1-CG1 4.5Å; I1203-V1294 HydrophobicContact CG2-CG1 3.98Å; I1203-V1294 HydrophobicContact CG2-CG2 4.36Å
1204V75.4Confident80.5Confident60 Ų6043.4 Ų43.436%0.36424%0.244SC..  trans-93.8-53.5176.8172.90000110.4P1202 V1298P1202-V1204 PolarHBondContact O-N 2.83Å; V1204-V1298 HydrophobicContact CG2-CB 4.47Å; V1204-V1298 HydrophobicContact CG2-CG2 3.41Å; V1204-V1298 VanDerWaalsContact CG2-CG2 3.41Å
1205E84.5Confident78.8Confident61 Ų6143.2 Ų43.229%0.28525%0.253SS..EExtended strand (participates in β ladder)trans-148.7149.5-177.358.3178.5-17000112.9Y1271 V1294 D1295E1205-Y1271 HydrophobicContact CG-CD1 4.36Å; E1205-Y1271 WeakPolarHBondContact OE1-CE1 3.35Å; E1205-V1294 WeakPolarHBondContact O-CA 3.41Å; E1205-D1295 HydrophobicContact CG-CB 4.12Å; E1205-D1295 PolarHBondContact O-N 2.81Å
1206Y89.5Confident76.7Confident9 Ų947.3 Ų47.34%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-97.9140.5167.7-61.8-81000109.8P1175 W1192 I1203 Y1271 G1272 A1274 L1275 V1292 Q1293 V1294P1175-Y1206 HydrophobicContact CB-CE1 4.25Å; P1175-Y1206 HydrophobicContact CG-CD1 3.96Å; P1175-Y1206 HydrophobicContact CG-CE1 3.95Å; W1192-Y1206 AromaticContact CD1-CD1 3.93Å; W1192-Y1206 AromaticContact CD1-CE1 3.99Å; W1192-Y1206 HydrophobicContact CZ2-CG 4.24Å; W1192-Y1206 AromaticContact NE1-CD1 3.37Å; W1192-Y1206 AromaticContact NE1-CD2 3.57Å; W1192-Y1206 AromaticContact NE1-CE1 3.77Å; W1192-Y1206 AromaticContact NE1-CE2 3.96Å; W1192-Y1206 AromaticContact NE1-CG 3.26Å; W1192-Y1206 VanDerWaalsContact NE1-CG 3.26Å; I1203-Y1206 HydrophobicContact CG2-CE1 4.21Å; I1203-Y1206 HydrophobicContact CG2-CE2 3.96Å; Y1206-Y1271 WeakPolarHBondContact O-CA 3.45Å; Y1206-G1272 PolarHBondContact N-O 3.24Å; Y1206-G1272 PolarHBondContact O-N 3.03Å; Y1206-G1272 VanDerWaalsContact O-N 3.09Å; Y1206-A1274 WeakPolarHBondContact CD2-O 3.11Å; Y1206-L1275 HydrophobicContact CD2-CD2 4.34Å; Y1206-L1275 HydrophobicContact CE2-CD2 3.5Å; Y1206-L1275 VanDerWaalsContact CE2-CD2 3.5Å; Y1206-V1292 HydrophobicContact CD1-CG2 4.27Å; Y1206-Q1293 WeakPolarHBondContact CA-O 3.36Å; Y1206-V1294 HydrophobicContact CD1-CG2 3.97Å; Y1206-V1294 HydrophobicContact CE1-CG2 3.77Å
1207R90.6Very high75Confident74 Ų7451.1 Ų51.128%0.27928%0.281SS..EExtended strand (participates in β ladder)trans-111.4106.4172.8178.2-165175.5143.9-3.8109.4S1209 F1270 Y1271 V1292 Q1293 D1295R1207-S1209 PolarHBondContact NE-OG 3.3Å; R1207-F1270 WeakPolarHBondContact CA-O 3.31Å; R1207-Y1271 HydrophobicContact CB-CD1 4.24Å; R1207-Y1271 HydrophobicContact CB-CE1 3.85Å; R1207-Y1271 WeakPolarHBondContact CD-OH 3.42Å; R1207-Y1271 HydrophobicContact CG-CE1 4Å; R1207-Y1271 HydrophobicContact CG-CE2 3.99Å; R1207-Y1271 PolarHBondContact NH1-OH 3.2Å; R1207-V1292 WeakPolarHBondContact O-CA 3.31Å; R1207-Q1293 HydrophobicContact CB-CG 4.1Å; R1207-Q1293 PolarHBondContact N-O 2.87Å; R1207-Q1293 PolarHBondContact O-N 3.08Å; R1207-Q1293 VanDerWaalsContact O-N 3.13Å; R1207-D1295 HydrophobicContact CB-CB 4.33Å; R1207-D1295 IonicContact NH1-OD2 3.17Å
1208L93.2Very high73.4Confident0 Ų054 Ų540%029%0.293CS..EExtended strand (participates in β ladder)trans-89.2126.7170.9-175.970.6000109.3L1178 I1190 W1192 C1268 V1269 F1270 H1277 V1279 F1290 V1292L1178-L1208 HydrophobicContact CD1-CD1 4.21Å; I1190-L1208 HydrophobicContact CB-CD2 4.07Å; I1190-L1208 HydrophobicContact CG1-CD2 4.36Å; I1190-L1208 HydrophobicContact CG2-CD1 4Å; I1190-L1208 HydrophobicContact CG2-CD2 4.32Å; W1192-L1208 HydrophobicContact CE3-CD1 4.41Å; W1192-L1208 HydrophobicContact CH2-CB 4.24Å; W1192-L1208 HydrophobicContact CH2-CD2 4.36Å; W1192-L1208 HydrophobicContact CZ3-CB 4.43Å; W1192-L1208 HydrophobicContact CZ3-CD1 4.05Å; W1192-L1208 HydrophobicContact CZ3-CD2 4Å; W1192-L1208 HydrophobicContact CZ3-CG 4.39Å; L1208-C1268 PolarHBondContact O-SG 2.91Å; L1208-C1268 VanDerWaalsContact O-SG 3.39Å; L1208-V1269 HydrophobicContact CB-CG2 4.19Å; L1208-V1269 HydrophobicContact CD2-CG2 3.84Å; L1208-V1269 HydrophobicContact CG-CG2 3.79Å; L1208-V1269 VanDerWaalsContact O-CG2 3.32Å; L1208-V1269 WeakPolarHBondContact O-CG2 3.32Å; L1208-V1269 PolarHBondContact O-N 3.04Å; L1208-F1270 HydrophobicContact CB-CB 4.08Å; L1208-F1270 HydrophobicContact CB-CD1 4.46Å; L1208-F1270 PolarHBondContact N-O 3.16Å; L1208-F1270 PolarHBondContact O-N 2.83Å; L1208-H1277 HydrophobicContact CD2-CB 4.36Å; L1208-V1279 HydrophobicContact CD2-CG2 3.85Å; L1208-F1290 HydrophobicContact CD1-CB 4.33Å; L1208-F1290 HydrophobicContact CD1-CD1 4.49Å; L1208-F1290 HydrophobicContact CG-CD1 4.45Å; L1208-V1292 HydrophobicContact CD1-CB 4.13Å
1209S91.6Very high71.7Confident2 Ų253.1 Ų53.11%0.01429%0.287CS..EExtended strand (participates in β ladder)trans-122.1146178.3-54.30000112R1207 E1267 F1290 H1291R1207-S1209 PolarHBondContact NE-OG 3.3Å; S1209-E1267 CarbonylContact C-O 3.57Å; S1209-E1267 WeakPolarHBondContact CA-O 3.2Å; S1209-E1267 WeakPolarHBondContact CB-O 3.45Å; S1209-F1290 VanDerWaalsContact O-CA 3.28Å; S1209-F1290 WeakPolarHBondContact O-CA 3.1Å; S1209-H1291 PolarHBondContact N-O 2.72Å; S1209-H1291 PolarHBondContact O-N 3.12Å
1210R93.2Very high69.8Low49 Ų4959.3 Ų59.319%0.18532%0.315CS..EExtended strand (participates in β ladder)trans-123.1134-172.3174.2-169.665.8-163.4-1.2110.9F1266 E1267 V1269 Y1288 A1289 F1290R1210-F1266 CarbonylContact O-C 3.43Å; R1210-F1266 WeakPolarHBondContact O-CA 3.34Å; R1210-E1267 IonicContact CZ-OE2 2.72Å; R1210-E1267 PolarHBondContact N-O 3.49Å; R1210-E1267 IonicContact NE-OE2 2.67Å; R1210-E1267 IonicContact NH2-OE2 3.74Å; R1210-E1267 PolarHBondContact NH2-OE2 2.9Å; R1210-E1267 PolarHBondContact O-N 2.91Å; R1210-V1269 HydrophobicContact CB-CB 4.49Å; R1210-V1269 HydrophobicContact CB-CG1 3.56Å; R1210-V1269 HydrophobicContact CB-CG2 4.06Å; R1210-V1269 HydrophobicContact CG-CG1 4.35Å; R1210-Y1288 HydrophobicContact CG-CD1 3.85Å; R1210-A1289 CarbonylContact C-O 3.57Å; R1210-A1289 WeakPolarHBondContact CA-O 3.34Å; R1210-F1290 HydrophobicContact CB-CD1 4Å; R1210-F1290 HydrophobicContact CB-CE1 3.7Å; R1210-F1290 HydrophobicContact CG-CD1 4.39Å; R1210-F1290 HydrophobicContact CG-CE1 3.73Å; R1210-F1290 HydrophobicContact CG-CZ 4.1Å
1211A89.8Confident68.2Low2 Ų266.2 Ų66.22%0.01734%0.343CS..EExtended strand (participates in β ladder)trans-120.9154.3162.500000110.5W1263 G1264 F1266 Y1288 A1289A1211-W1263 HydrophobicContact CB-CB 4.01Å; A1211-W1263 HydrophobicContact CB-CE3 4.28Å; A1211-G1264 VanDerWaalsContact CB-O 3.32Å; A1211-G1264 WeakPolarHBondContact CB-O 3.25Å; A1211-F1266 HydrophobicContact CB-CD1 3.76Å; A1211-F1266 HydrophobicContact CB-CD2 3.88Å; A1211-F1266 HydrophobicContact CB-CE1 3.77Å; A1211-F1266 HydrophobicContact CB-CE2 3.87Å; A1211-F1266 HydrophobicContact CB-CG 3.83Å; A1211-F1266 HydrophobicContact CB-CZ 3.82Å; A1211-Y1288 CarbonylContact O-C 3.55Å; A1211-Y1288 WeakPolarHBondContact O-CA 3.5Å; A1211-A1289 PolarHBondContact N-O 2.98Å; A1211-A1289 PolarHBondContact O-N 3.25Å
1212I87.8Confident66.7Low50 Ų5071.1 Ų71.126%0.25637%0.366SS..EExtended strand (participates in β ladder)trans-103.6148.2171.9-166.3171.7000110.3G1214 W1263 G1264 L1283 Y1288I1212-G1214 PolarHBondContact O-N 2.91Å; I1212-W1263 VanDerWaalsContact C-CE3 3.48Å; I1212-G1264 PolarHBondContact O-N 3.24Å; I1212-L1283 HydrophobicContact CD1-CD1 4.19Å; I1212-Y1288 HydrophobicContact CB-CD1 3.99Å; I1212-Y1288 HydrophobicContact CB-CE1 3.86Å; I1212-Y1288 HydrophobicContact CD1-CE1 3.81Å; I1212-Y1288 HydrophobicContact CG1-CD1 4.1Å; I1212-Y1288 HydrophobicContact CG1-CE1 3.75Å
1213A77.5Confident64.8Low14 Ų1478 Ų7812%0.11638%0.384CS..BIsolated β-bridgetrans-65.6112.4178.900000111.3G1215 V1261 W1263 E1287A1213-G1215 PolarHBondContact O-N 3.39Å; A1213-V1261 HydrophobicContact CB-CG1 4.05Å; A1213-W1263 HydrophobicContact CB-CE3 4.24Å; A1213-W1263 HydrophobicContact CB-CH2 4.02Å; A1213-W1263 HydrophobicContact CB-CZ3 3.69Å; A1213-W1263 VanDerWaalsContact N-CZ3 3.3Å; A1213-E1287 HydrophobicContact CB-CB 3.98Å; A1213-E1287 PolarHBondContact N-O 3.26Å
1214G59Low62.8Low51 Ų5184 Ų8453%0.52641%0.408SS..  trans-82.973.4-172.700000113.8I1212 G1262I1212-G1214 PolarHBondContact O-N 2.91Å; G1214-G1262 VanDerWaalsContact CA-O 3.25Å; G1214-G1262 WeakPolarHBondContact CA-O 3.4Å; G1214-G1262 PolarHBondContact N-O 2.86Å
1215G50.4Low60.5Low56 Ų5689.6 Ų89.658%0.57743%0.432SS*.  trans-171.849.3-173.300000121.7A1213A1213-G1215 PolarHBondContact O-N 3.39Å
1216T39.2Very low57.8Low93 Ų9391 Ų9157%0.57145%0.449SS*.  trans-146.3153.115050.50000112Q1218 Q1219T1216-Q1218 PolarHBondContact O-N 3.47Å; T1216-Q1219 PolarHBondContact O-N 3.08Å
1217R42.5Very low54.9Low233 Ų233100.6 Ų100.688%0.87949%0.487SS*.G310 helixtrans-60.1-27.4-177.3-89.9-174170.5-169.9-2114.2Q1220R1217-Q1220 PolarHBondContact O-N 3.04Å
1218Q40.8Very low51.8Low153 Ų153103.3 Ų103.372%0.71552%0.517SS*.G310 helixtrans-70.5-30.4-175-72.5174.9-25.200113.5T1216 Q1220 H1221T1216-Q1218 PolarHBondContact O-N 3.47Å; Q1218-Q1220 PolarHBondContact O-N 2.83Å; Q1218-Q1220 VanDerWaalsContact O-N 3.15Å; Q1218-H1221 PolarHBondContact O-N 2.82Å
1219Q39.9Very low48.7Very low62 Ų62108.6 Ų108.629%0.2955%0.554SS.*G310 helixtrans-67.2-15.3179.9-70.5-172.2-5.100113.9T1216 H1221 H1222T1216-Q1219 PolarHBondContact O-N 3.08Å; Q1219-H1221 PolarHBondContact O-N 2.81Å; Q1219-H1222 PolarHBondContact O-N 2.77Å
1220Q34.2Very low45.8Very low150 Ų150113.7 Ų113.770%0.70159%0.59SS**G310 helixtrans-65.1-23.5179.5-69.7-165.5-10.500113.9R1217 Q1218R1217-Q1220 PolarHBondContact O-N 3.04Å; Q1218-Q1220 PolarHBondContact O-N 2.83Å; Q1218-Q1220 VanDerWaalsContact O-N 3.15Å
1221H34.8Very low42.6Very low160 Ų160116.8 Ų116.874%0.74162%0.617SS**THydrogen-bonded Turntrans-75.1-34179.9-124.3-115.3000113.1Q1218 Q1219 R1223 K1224Q1218-H1221 PolarHBondContact O-N 2.82Å; Q1219-H1221 PolarHBondContact O-N 2.81Å; H1221-R1223 PolarHBondContact O-N 2.93Å; H1221-K1224 PolarHBondContact O-N 3.08Å
1222H40Very low39.6Very low103 Ų103121.3 Ų121.348%0.47765%0.649SS.*G310 helixtrans-65.5-26.2176.3-97.892.7000112.9Q1219 K1224 M1225Q1219-H1222 PolarHBondContact O-N 2.77Å; H1222-K1224 PolarHBondContact O-N 2.85Å; H1222-M1225 PolarHBondContact O-N 3.18Å
1223R33.1Very low36.8Very low205 Ų205123.9 Ų123.977%0.77468%0.678SS**G310 helixtrans-66.13.5178.1-117.5-178.9-177.1-176.31.6115.4H1221H1221-R1223 PolarHBondContact O-N 2.93Å
1224K32Very low34.6Very low176 Ų176126.6 Ų126.677%0.76570%0.696SS**G310 helixtrans-112.3-5176.2-80.3-175.8174177.50115.3H1221 H1222H1221-K1224 PolarHBondContact O-N 3.08Å; H1222-K1224 PolarHBondContact O-N 2.85Å
1225M27.5Very low33.3Very low178 Ų178129.1 Ų129.188%0.87771%0.705SS**SBendtrans-116.351-179-65.8-134.5-148.200113.3H1222H1222-M1225 PolarHBondContact O-N 3.18Å
1226S28.2Very low32.2Very low92 Ų92134 Ų13464%0.64372%0.718SS**  trans-149.756.4174.563.30000112.5
1227Y27.5Very low31.7Very low210 Ų210135.1 Ų135.182%0.82473%0.729SS**  trans-138.6112.1174.1-82.4-80.6000111.4
1228S26.5Very low31.2Very low130 Ų130129.5 Ų129.591%0.90973%0.726SS**  trans-170.962.2154.541.80000114.4
1229S27.2Very low30.6Very low111 Ų111126.5 Ų126.578%0.77673%0.727SS**SBendtrans-150.496.3159.360.30000112.6
1230S29.9Very low30.2Very low110 Ų110130.2 Ų130.277%0.76975%0.754SS**  trans47.594.5161.156.70000119.9
1231C26.2Very low30.1Very low113 Ų113129.2 Ų129.276%0.76476%0.758SS**  16.4149.4119.8-43.70000119.5
1232S28.4Very low30.2Very low97 Ų97126.7 Ų126.768%0.67876%0.756SS**  cis-153.8163.436.3-60.80000113
1233A27.5Very low29.9Very low104 Ų104126.7 Ų126.786%0.8677%0.767SS**  trans-149.6150-179.700000114.9
1234S32.9Very low29.9Very low71 Ų71122 Ų12250%0.49777%0.766SS.*  trans-158.5116.9173.327.50000107.2
1235S30.2Very low30.2Very low104 Ų104119.4 Ų119.473%0.72777%0.768SS**  73.7133.963.276.80000114.1
1236L28.2Very low30.5Very low159 Ų159116.1 Ų116.183%0.83276%0.762SS**  cis-176.4155.8-16.6-124.3162.5000108.6
1237S28.9Very low31Very low116 Ų116117.5 Ų117.581%0.81177%0.769SS**  trans66.6164.2171.981.50000116.3
1238S30.6Very low31.3Very low116 Ų116112.2 Ų112.281%0.81176%0.763SS**  cis-141.3167.89590000113.1
1239A28.9Very low31.9Very low89 Ų89112.1 Ų112.174%0.73676%0.756SS**  trans-92.6167.3-171.400000115.3
1240T32.3Very low32.2Very low141 Ų141110.4 Ų110.487%0.86575%0.749SS**  trans-158145.4138.1-70.90000110.1
1241T32.5Very low32.5Very low128 Ų128113.2 Ų113.279%0.78576%0.755SS**  trans-89.8-175.5-174.529.70000112.3
1242P35Very low32.9Very low108 Ų108111.3 Ų111.370%0.70175%0.754SS**  cis-152.5-179.127.243.1-19.8000121.5
1243S33.9Very low33.1Very low102 Ų102115.3 Ų115.371%0.71376%0.763SS**  trans66.9142.2151.847.20000121
1244S34.2Very low33.4Very low106 Ų106115.5 Ų115.574%0.74175%0.753SS**  cis136.4156.2-14.460.20000111.1
1245P38.9Very low33.1Very low123 Ų123120.7 Ų120.780%0.79977%0.769SS**  cis-137.1-167.5-7.639.6-18.5000116.1
1246S32.5Very low32.9Very low109 Ų109121.8 Ų121.876%0.76278%0.777SS**  trans-63.9-172.3177.5-22.90000116.6
1247P39.4Very low33Very low120 Ų120119.9 Ų119.978%0.77978%0.777SS**  cis-151.8-170.644.144.9-21.4000120.6
1248S34.1Very low33.1Very low100 Ų100119.7 Ų119.770%0.69978%0.776SS**  trans-49165.8175.850.10000118.3
1249V37.8Very low33Very low128 Ų128119.6 Ų119.678%0.77678%0.775SS**  -165.2138.369.11600000107.6
1250A34.5Very low33.2Very low75 Ų75123.8 Ų123.862%0.6278%0.777SS**  cis93.6107.633.100000115.4
1251D35.1Very low34.2Very low168 Ų168120.4 Ų120.490%0.89876%0.757SS**  trans156.5145135.3-79.2-16000114.3
1252G34.4Very low35.3Very low73 Ų73116.3 Ų116.375%0.75374%0.74SS**  trans81.6145169.700000118
1253E34Very low37.4Very low182 Ų182113.9 Ų113.985%0.8572%0.716SS**  cis-159.4157.9-16.2-143169-136.100112.1
1254T32.2Very low39.5Very low108 Ų108110 Ų11066%0.66369%0.693SS**  trans39.5110.4158.528.80000123.9
1255E27.7Very low41.8Very low179 Ų179110 Ų11084%0.83669%0.69SS**  45107125-60.8-175.117600121.5
1256S27Very low44.1Very low127 Ų127106.9 Ų106.989%0.88866%0.664SS**  170.688.8115.843.30000112.5
1257S29.3Very low46.8Very low120 Ų120106.9 Ų106.984%0.83965%0.652SS**  trans-139.4127.8172.652.20000112.2
1258S30.1Very low49.2Very low111 Ų111103.5 Ų103.578%0.77663%0.631SS**  trans-62.9143.4178.852.80000111.6F1260S1258-F1260 PolarHBondContact O-N 2.82Å
1259S29.7Very low51.9Low115 Ų115100.3 Ų100.380%0.80461%0.607SS**  trans-59.297.9-179540000112.1V1261S1259-V1261 PolarHBondContact O-N 3.38Å
1260F32.6Very low54.4Low176 Ų17695.8 Ų95.877%0.77258%0.577SS**  trans-70.8101.3175.9-163-88.6000109.2S1258 G1262S1258-F1260 PolarHBondContact O-N 2.82Å; F1260-G1262 PolarHBondContact O-N 2.88Å; F1260-G1262 VanDerWaalsContact O-N 3.1Å
1261V52.8Low57Low71 Ų7196.9 Ų96.943%0.4357%0.566SS.*  trans-63.7112.7177.5178.90000108.4A1213 S1259 W1263A1213-V1261 HydrophobicContact CB-CG1 4.05Å; S1259-V1261 PolarHBondContact O-N 3.38Å; V1261-W1263 PolarHBondContact O-N 3.16Å; V1261-W1263 VanDerWaalsContact O-N 3.11Å
1262G56.8Low59.3Low42 Ų4289.7 Ų89.743%0.43353%0.531SS..  trans-65.9110.5-178.600000111.1G1214 F1260G1214-G1262 VanDerWaalsContact CA-O 3.25Å; G1214-G1262 WeakPolarHBondContact CA-O 3.4Å; G1214-G1262 PolarHBondContact N-O 2.86Å; F1260-G1262 PolarHBondContact O-N 2.88Å; F1260-G1262 VanDerWaalsContact O-N 3.1Å
1263W78.6Confident61.8Low56 Ų5692.6 Ų92.621%0.21253%0.529CS..BIsolated β-bridgetrans-59.9142.8169.4-65.9104.5000110.8A1211 I1212 A1213 V1261 E1287 A1289 V1311A1211-W1263 HydrophobicContact CB-CB 4.01Å; A1211-W1263 HydrophobicContact CB-CE3 4.28Å; I1212-W1263 VanDerWaalsContact C-CE3 3.48Å; A1213-W1263 HydrophobicContact CB-CE3 4.24Å; A1213-W1263 HydrophobicContact CB-CH2 4.02Å; A1213-W1263 HydrophobicContact CB-CZ3 3.69Å; A1213-W1263 VanDerWaalsContact N-CZ3 3.3Å; V1261-W1263 PolarHBondContact O-N 3.16Å; V1261-W1263 VanDerWaalsContact O-N 3.11Å; W1263-E1287 HydrophobicContact CH2-CB 4.21Å; W1263-A1289 HydrophobicContact CD2-CB 3.51Å; W1263-A1289 HydrophobicContact CE3-CB 3.53Å; W1263-A1289 HydrophobicContact CG-CB 4.2Å; W1263-A1289 HydrophobicContact CH2-CB 3.9Å; W1263-A1289 HydrophobicContact CZ2-CB 3.86Å; W1263-A1289 HydrophobicContact CZ3-CB 3.72Å; W1263-V1311 HydrophobicContact CH2-CG1 3.82Å; W1263-V1311 HydrophobicContact CH2-CG2 4.29Å; W1263-V1311 HydrophobicContact CZ2-CB 4.44Å; W1263-V1311 HydrophobicContact CZ2-CG1 3.89Å; W1263-V1311 HydrophobicContact CZ2-CG2 3.67Å
1264G77.8Confident64.4Low22 Ų2285.8 Ų85.823%0.22750%0.504CS..  trans-62.9175.6168.300000112.7A1211 I1212 F1266A1211-G1264 VanDerWaalsContact CB-O 3.32Å; A1211-G1264 WeakPolarHBondContact CB-O 3.25Å; I1212-G1264 PolarHBondContact O-N 3.24Å; G1264-F1266 PolarHBondContact O-N 3.32Å
1265P82.7Confident67.2Low104 Ų10484 Ų8468%0.67549%0.491SS*.  trans-57.6138.9170.427.4-34.7000110.2E1267P1265-E1267 PolarHBondContact O-N 3.24Å
1266F87.3Confident70.3Confident59 Ų5978 Ų7826%0.25947%0.468SS..  trans-75.7113.5175.6-81.9-92.2000110.4R1210 A1211 G1264 A1289 H1291 Q1309R1210-F1266 CarbonylContact O-C 3.43Å; R1210-F1266 WeakPolarHBondContact O-CA 3.34Å; A1211-F1266 HydrophobicContact CB-CD1 3.76Å; A1211-F1266 HydrophobicContact CB-CD2 3.88Å; A1211-F1266 HydrophobicContact CB-CE1 3.77Å; A1211-F1266 HydrophobicContact CB-CE2 3.87Å; A1211-F1266 HydrophobicContact CB-CG 3.83Å; A1211-F1266 HydrophobicContact CB-CZ 3.82Å; G1264-F1266 PolarHBondContact O-N 3.32Å; F1266-A1289 HydrophobicContact CE1-CB 4.09Å; F1266-A1289 WeakPolarHBondContact CE1-O 3.25Å; F1266-A1289 HydrophobicContact CZ-CB 3.9Å; F1266-H1291 AromaticContact CD1-CE1 3.41Å; F1266-H1291 VanDerWaalsContact CD1-CE1 3.41Å; F1266-H1291 WeakPolarHBondContact CD1-CE1 3.27Å; F1266-H1291 AromaticContact CD1-ND1 3.2Å; F1266-H1291 WeakPolarHBondContact CD1-ND1 3.44Å; F1266-H1291 AromaticContact CE1-CE1 3.94Å; F1266-H1291 AromaticContact CE1-ND1 3.25Å; F1266-H1291 VanDerWaalsContact CE1-ND1 3.25Å; F1266-H1291 WeakPolarHBondContact CE1-ND1 3.43Å; F1266-H1291 AromaticContact CG-CE1 3.45Å; F1266-H1291 VanDerWaalsContact CG-CE1 3.45Å; F1266-H1291 WeakPolarHBondContact CG-CE1 3.48Å; F1266-H1291 AromaticContact CG-ND1 3.65Å; F1266-H1291 AromaticContact CZ-ND1 3.74Å; F1266-Q1309 HydrophobicContact CZ-CG 4.44Å
1267E88.9Confident73.5Confident108 Ų10874.6 Ų74.651%0.50544%0.438SS..EExtended strand (participates in β ladder)trans-86.9142.9172.6-61.8173.5162.500109.6S1209 R1210 P1265S1209-E1267 CarbonylContact C-O 3.57Å; S1209-E1267 WeakPolarHBondContact CA-O 3.2Å; S1209-E1267 WeakPolarHBondContact CB-O 3.45Å; R1210-E1267 IonicContact CZ-OE2 2.72Å; R1210-E1267 PolarHBondContact N-O 3.49Å; R1210-E1267 IonicContact NE-OE2 2.67Å; R1210-E1267 IonicContact NH2-OE2 3.74Å; R1210-E1267 PolarHBondContact NH2-OE2 2.9Å; R1210-E1267 PolarHBondContact O-N 2.91Å; P1265-E1267 PolarHBondContact O-N 3.24Å
1268C89Confident76.5Confident49 Ų4971.8 Ų71.833%0.33141%0.411SS..EExtended strand (participates in β ladder)trans-72.2136.5169.9-168.70000110.2L1208 F1270 Y1271L1208-C1268 PolarHBondContact O-SG 2.91Å; L1208-C1268 VanDerWaalsContact O-SG 3.39Å; C1268-F1270 PolarHBondContact SG-O 2.93Å; C1268-F1270 VanDerWaalsContact SG-O 3.37Å; C1268-Y1271 HydrophobicContact CB-CD2 4.43Å; C1268-Y1271 HydrophobicContact CB-CE2 4.16Å; C1268-Y1271 WeakPolarHBondContact SG-CD2 3.46Å; C1268-Y1271 WeakPolarHBondContact SG-CE2 3.37Å
1269V91.4Very high79.5Confident33 Ų3366.7 Ų66.720%0.238%0.376CS..EExtended strand (participates in β ladder)trans-118.4-20.2176.8-72.20000113.5L1208 R1210 V1279 F1290L1208-V1269 HydrophobicContact CB-CG2 4.19Å; L1208-V1269 HydrophobicContact CD2-CG2 3.84Å; L1208-V1269 HydrophobicContact CG-CG2 3.79Å; L1208-V1269 VanDerWaalsContact O-CG2 3.32Å; L1208-V1269 WeakPolarHBondContact O-CG2 3.32Å; L1208-V1269 PolarHBondContact O-N 3.04Å; R1210-V1269 HydrophobicContact CB-CB 4.49Å; R1210-V1269 HydrophobicContact CB-CG1 3.56Å; R1210-V1269 HydrophobicContact CB-CG2 4.06Å; R1210-V1269 HydrophobicContact CG-CG1 4.35Å; V1269-V1279 HydrophobicContact CB-CG1 4.16Å; V1269-V1279 HydrophobicContact CB-CG2 4.29Å; V1269-V1279 HydrophobicContact CG1-CG1 4.04Å; V1269-V1279 HydrophobicContact CG2-CG1 4.42Å; V1269-V1279 HydrophobicContact CG2-CG2 3.88Å; V1269-F1290 HydrophobicContact CG2-CE1 4.5Å
1270F91Very high82.4Confident33 Ų3369 Ų6915%0.14537%0.367CS..EExtended strand (participates in β ladder)trans-150.6138.7173168.2-100.9000111.6W1192 R1207 L1208 C1268 G1272 A1274 H1277W1192-F1270 AromaticContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CE1 4.1Å; W1192-F1270 HydrophobicContact CZ2-CD1 4.12Å; W1192-F1270 HydrophobicContact CZ2-CE1 4.01Å; R1207-F1270 WeakPolarHBondContact CA-O 3.31Å; L1208-F1270 HydrophobicContact CB-CB 4.08Å; L1208-F1270 HydrophobicContact CB-CD1 4.46Å; L1208-F1270 PolarHBondContact N-O 3.16Å; L1208-F1270 PolarHBondContact O-N 2.83Å; C1268-F1270 PolarHBondContact SG-O 2.93Å; C1268-F1270 VanDerWaalsContact SG-O 3.37Å; F1270-G1272 WeakPolarHBondContact CE1-O 3.11Å; F1270-A1274 HydrophobicContact CE1-CB 4.33Å; F1270-A1274 HydrophobicContact CZ-CB 3.75Å; F1270-H1277 HydrophobicContact CB-CB 4.02Å; F1270-H1277 HydrophobicContact CD1-CB 4.21Å; F1270-H1277 HydrophobicContact CD2-CB 4.22Å; F1270-H1277 AromaticContact CD2-CE1 3.7Å; F1270-H1277 AromaticContact CD2-CG 3.73Å; F1270-H1277 AromaticContact CD2-ND1 3.17Å; F1270-H1277 WeakPolarHBondContact CD2-ND1 3.2Å; F1270-H1277 AromaticContact CE2-ND1 3.85Å; F1270-H1277 HydrophobicContact CG-CB 3.88Å; F1270-H1277 AromaticContact CG-CG 3.67Å; F1270-H1277 AromaticContact CG-ND1 3.63Å
1271Y87.3Confident85.1Confident99 Ų9968.6 Ų68.639%0.38837%0.372SS..EExtended strand (participates in β ladder)trans-126.1129.2168.2-98.2-76.5000107.8E1205 Y1206 R1207 C1268 D1295E1205-Y1271 HydrophobicContact CG-CD1 4.36Å; E1205-Y1271 WeakPolarHBondContact OE1-CE1 3.35Å; Y1206-Y1271 WeakPolarHBondContact O-CA 3.45Å; R1207-Y1271 HydrophobicContact CB-CD1 4.24Å; R1207-Y1271 HydrophobicContact CB-CE1 3.85Å; R1207-Y1271 WeakPolarHBondContact CD-OH 3.42Å; R1207-Y1271 HydrophobicContact CG-CE1 4Å; R1207-Y1271 HydrophobicContact CG-CE2 3.99Å; R1207-Y1271 PolarHBondContact NH1-OH 3.2Å; C1268-Y1271 HydrophobicContact CB-CD2 4.43Å; C1268-Y1271 HydrophobicContact CB-CE2 4.16Å; C1268-Y1271 WeakPolarHBondContact SG-CD2 3.46Å; C1268-Y1271 WeakPolarHBondContact SG-CE2 3.37Å; Y1271-D1295 HydrophobicContact CE1-CB 3.86Å; Y1271-D1295 WeakPolarHBondContact CE1-OD2 3.45Å; Y1271-D1295 PolarHBondContact OH-OD2 3.17Å
1272G85.2Confident86.8Confident16 Ų1665.4 Ų65.417%0.16535%0.352CS..EExtended strand (participates in β ladder)trans152.6177.7173.500000114.1Y1206 F1270 A1274Y1206-G1272 PolarHBondContact N-O 3.24Å; Y1206-G1272 PolarHBondContact O-N 3.03Å; Y1206-G1272 VanDerWaalsContact O-N 3.09Å; F1270-G1272 WeakPolarHBondContact CE1-O 3.11Å; G1272-A1274 PolarHBondContact O-N 2.83Å
1273N85.8Confident88.2Confident134 Ų13465.8 Ų65.872%0.71734%0.344SS*.SBendtrans-83.3-0.3-173.365.1-12000115.5
1274A89Confident88.6Confident39 Ų3963.6 Ų63.632%0.32234%0.337SS..  trans-71.6151.9178.700000112.3W1192 Y1206 F1270 G1272W1192-A1274 WeakPolarHBondContact CZ2-O 3.5Å; Y1206-A1274 WeakPolarHBondContact CD2-O 3.11Å; F1270-A1274 HydrophobicContact CE1-CB 4.33Å; F1270-A1274 HydrophobicContact CZ-CB 3.75Å; G1272-A1274 PolarHBondContact O-N 2.83Å
1275L91Very high89Confident72 Ų7264.9 Ų64.938%0.37734%0.339SS..SBendtrans-94.13.9176.6-66.9175.6000113.7A1191 W1192 P1194 Y1206A1191-L1275 WeakPolarHBondContact CA-O 3.49Å; W1192-L1275 PolarHBondContact N-O 3.09Å; P1194-L1275 HydrophobicContact CG-CD1 4.1Å; P1194-L1275 HydrophobicContact CG-CD2 3.96Å; Y1206-L1275 HydrophobicContact CD2-CD2 4.34Å; Y1206-L1275 HydrophobicContact CE2-CD2 3.5Å; Y1206-L1275 VanDerWaalsContact CE2-CD2 3.5Å
1276S92.6Very high89.2Confident51 Ų5160.7 Ų60.736%0.35731%0.312SS..EExtended strand (participates in β ladder)trans-155146.7177.958.50000111.6I1190I1190-S1276 CarbonylContact O-C 3.55Å; I1190-S1276 WeakPolarHBondContact O-CA 3.12Å
1277H93.5Very high89.4Confident56 Ų5661.2 Ų61.226%0.25932%0.315SS..EExtended strand (participates in β ladder)trans-146.2137.6177.3-172.780.2000112.4H1189 I1190 W1192 L1208 F1270 V1279H1189-H1277 PolarHBondContact CD2-O 2.96Å; I1190-H1277 PolarHBondContact N-O 2.99Å; I1190-H1277 PolarHBondContact O-N 2.91Å; W1192-H1277 HydrophobicContact CH2-CB 4.21Å; L1208-H1277 HydrophobicContact CD2-CB 4.36Å; F1270-H1277 HydrophobicContact CB-CB 4.02Å; F1270-H1277 HydrophobicContact CD1-CB 4.21Å; F1270-H1277 HydrophobicContact CD2-CB 4.22Å; F1270-H1277 AromaticContact CD2-CE1 3.7Å; F1270-H1277 AromaticContact CD2-CG 3.73Å; F1270-H1277 AromaticContact CD2-ND1 3.17Å; F1270-H1277 WeakPolarHBondContact CD2-ND1 3.2Å; F1270-H1277 AromaticContact CE2-ND1 3.85Å; F1270-H1277 HydrophobicContact CG-CB 3.88Å; F1270-H1277 AromaticContact CG-CG 3.67Å; F1270-H1277 AromaticContact CG-ND1 3.63Å; H1277-V1279 PolarHBondContact O-N 2.99Å
1278E94.1Very high89.5Confident61 Ų6156.6 Ų56.629%0.28529%0.293SS..EExtended strand (participates in β ladder)trans-90.6100.9174-164.3-154.3156.500110.9S1187 H1189 R1280S1187-E1278 WeakPolarHBondContact CB-OE1 3.38Å; S1187-E1278 PolarHBondContact OG-OE1 2.79Å; H1189-E1278 HydrophobicContact CB-CG 4.33Å; E1278-R1280 HydrophobicContact CG-CG 4.23Å; E1278-R1280 PolarHBondContact O-N 2.77Å; E1278-R1280 VanDerWaalsContact O-N 3.14Å; E1278-R1280 WeakPolarHBondContact OE1-CG 3.15Å; E1278-R1280 IonicContact OE1-NE 3.13Å; E1278-R1280 PolarHBondContact OE1-NE 3.22Å; E1278-R1280 IonicContact OE2-CZ 2.81Å; E1278-R1280 IonicContact OE2-NE 3.65Å; E1278-R1280 PolarHBondContact OE2-NE 3.17Å; E1278-R1280 IonicContact OE2-NH2 3.95Å; E1278-R1280 PolarHBondContact OE2-NH2 3.36Å
1279V92Very high89.6Confident4 Ų454.3 Ų54.32%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-76.2102.5177.4-174.10000108.7S1187 L1188 I1190 L1208 V1269 H1277 L1282 F1290S1187-V1279 CarbonylContact C-O 3.41Å; S1187-V1279 WeakPolarHBondContact CA-O 3.26Å; S1187-V1279 WeakPolarHBondContact CB-O 3.34Å; L1188-V1279 PolarHBondContact N-O 3.33Å; L1188-V1279 PolarHBondContact O-N 2.8Å; I1190-V1279 HydrophobicContact CG1-CG2 4.3Å; L1208-V1279 HydrophobicContact CD2-CG2 3.85Å; V1269-V1279 HydrophobicContact CB-CG1 4.16Å; V1269-V1279 HydrophobicContact CB-CG2 4.29Å; V1269-V1279 HydrophobicContact CG1-CG1 4.04Å; V1269-V1279 HydrophobicContact CG2-CG1 4.42Å; V1269-V1279 HydrophobicContact CG2-CG2 3.88Å; H1277-V1279 PolarHBondContact O-N 2.99Å; V1279-L1282 HydrophobicContact CG1-CD1 4.32Å; V1279-L1282 HydrophobicContact CG1-CD2 3.91Å; V1279-L1282 HydrophobicContact CG1-CG 4.31Å; V1279-L1282 WeakPolarHBondContact O-CD1 3.37Å; V1279-F1290 HydrophobicContact CB-CE1 4.32Å; V1279-F1290 HydrophobicContact CG1-CE1 4.21Å; V1279-F1290 HydrophobicContact CG2-CE1 3.88Å
1280R91.2Very high89.8Confident164 Ų16452.7 Ų52.762%0.61927%0.268SS*.EExtended strand (participates in β ladder)trans-92176.2179.4-64.1178.2-178.9164.35.5112.6N1186 E1278 L1282N1186-R1280 CarbonylContact O-C 3.51Å; E1278-R1280 HydrophobicContact CG-CG 4.23Å; E1278-R1280 PolarHBondContact O-N 2.77Å; E1278-R1280 VanDerWaalsContact O-N 3.14Å; E1278-R1280 WeakPolarHBondContact OE1-CG 3.15Å; E1278-R1280 IonicContact OE1-NE 3.13Å; E1278-R1280 PolarHBondContact OE1-NE 3.22Å; E1278-R1280 IonicContact OE2-CZ 2.81Å; E1278-R1280 IonicContact OE2-NE 3.65Å; E1278-R1280 PolarHBondContact OE2-NE 3.17Å; E1278-R1280 IonicContact OE2-NH2 3.95Å; E1278-R1280 PolarHBondContact OE2-NH2 3.36Å; R1280-L1282 VanDerWaalsContact C-N 3.3Å; R1280-L1282 PolarHBondContact O-N 2.79Å
1281L88.2Confident89.8Confident168 Ų16852.2 Ų52.288%0.8827%0.266SS*.SBendtrans59.736.9178.7-54.9177.1000113.5N1186N1186-L1281 PolarHBondContact O-N 3.08Å
1282L89.3Confident90Very high4 Ų447.5 Ų47.52%0.02125%0.247CC..PPolyproline II helixtrans-84.5157.3171.7-58.1178.2000110.9N1186 L1188 V1279 R1280 Y1288 T1314N1186-L1282 WeakPolarHBondContact CA-O 3.44Å; N1186-L1282 PolarHBondContact ND2-O 2.92Å; N1186-L1282 PolarHBondContact O-N 3Å; L1188-L1282 HydrophobicContact CB-CD1 3.83Å; L1188-L1282 HydrophobicContact CD1-CD1 3.7Å; L1188-L1282 HydrophobicContact CG-CD1 3.55Å; V1279-L1282 HydrophobicContact CG1-CD1 4.32Å; V1279-L1282 HydrophobicContact CG1-CD2 3.91Å; V1279-L1282 HydrophobicContact CG1-CG 4.31Å; V1279-L1282 WeakPolarHBondContact O-CD1 3.37Å; R1280-L1282 VanDerWaalsContact C-N 3.3Å; R1280-L1282 PolarHBondContact O-N 2.79Å; L1282-Y1288 HydrophobicContact CB-CE2 3.84Å; L1282-Y1288 HydrophobicContact CD1-CD2 4.28Å; L1282-Y1288 HydrophobicContact CD1-CE2 4.28Å; L1282-Y1288 HydrophobicContact CD2-CD1 4.31Å; L1282-Y1288 HydrophobicContact CD2-CD2 4.35Å; L1282-Y1288 HydrophobicContact CD2-CE1 3.93Å; L1282-Y1288 HydrophobicContact CD2-CE2 3.99Å; L1282-Y1288 HydrophobicContact CG-CE2 4.26Å; L1282-T1314 HydrophobicContact CB-CG2 3.74Å; L1282-T1314 HydrophobicContact CD1-CG2 3.89Å; L1282-T1314 HydrophobicContact CG-CG2 4.49Å
1283L86.5Confident90.2Very high50 Ų5048.1 Ų48.126%0.26225%0.246SC..PPolyproline II helixtrans-76.3143.3170.7-64.4174.5000109.6A1185 I1212 S1286 Y1288 T1314A1185-L1283 CarbonylContact O-C 3.41Å; I1212-L1283 HydrophobicContact CD1-CD1 4.19Å; L1283-S1286 WeakPolarHBondContact CB-OG 3.02Å; L1283-S1286 WeakPolarHBondContact O-CB 3.21Å; L1283-Y1288 PolarHBondContact N-OH 3.22Å; L1283-T1314 WeakPolarHBondContact O-CB 3.39Å; L1283-T1314 PolarHBondContact O-OG1 3.42Å
1284P86Confident90Very high9 Ų941.7 Ų41.76%0.05821%0.212CC..THydrogen-bonded Turntrans-63.4157.2169.9-23.335.2000113.4A1185 S1286 H1345A1185-P1284 HydrophobicContact CB-CB 4.3Å; A1185-P1284 HydrophobicContact CB-CG 4.31Å; A1185-P1284 WeakPolarHBondContact O-CA 3.15Å; A1185-P1284 WeakPolarHBondContact O-CG 3.25Å; P1284-S1286 PolarHBondContact O-N 2.58Å; P1284-S1286 PolarHBondContact O-OG 3.19Å; P1284-H1345 HydrophobicContact CB-CB 3.72Å; P1284-H1345 HydrophobicContact CG-CB 3.92Å
1285D87.1Confident89Confident50 Ų5040.7 Ų40.727%0.26720%0.201SC..THydrogen-bonded Turntrans41.437.1-179-166.541.5000115R1313 T1314 Q1315D1285-R1313 PolarHBondContact O-NH2 2.98Å; D1285-R1313 IonicContact OD1-CZ 3.26Å; D1285-R1313 VanDerWaalsContact OD1-CZ 3.27Å; D1285-R1313 IonicContact OD1-NE 2.74Å; D1285-R1313 PolarHBondContact OD1-NE 2.9Å; D1285-R1313 IonicContact OD1-NH2 2.9Å; D1285-R1313 PolarHBondContact OD1-NH2 2.97Å; D1285-R1313 IonicContact OD2-CZ 3.55Å; D1285-R1313 IonicContact OD2-NH2 3.55Å; D1285-R1313 PolarHBondContact OD2-NH2 2.94Å; D1285-T1314 PolarHBondContact N-OG1 2.67Å; D1285-Q1315 PolarHBondContact N-O 2.89Å
1286S87.6Confident87.5Confident15 Ų1540.6 Ų40.611%0.10520%0.201CC..  trans-119136.7-171.9-67.70000111.1L1283 P1284 Y1288 R1313 T1314L1283-S1286 WeakPolarHBondContact CB-OG 3.02Å; L1283-S1286 WeakPolarHBondContact O-CB 3.21Å; P1284-S1286 PolarHBondContact O-N 2.58Å; P1284-S1286 PolarHBondContact O-OG 3.19Å; S1286-Y1288 VanDerWaalsContact O-CD2 3.32Å; S1286-Y1288 WeakPolarHBondContact O-CD2 3.48Å; S1286-R1313 WeakPolarHBondContact O-CA 3.45Å; S1286-T1314 PolarHBondContact N-OG1 2.9Å; S1286-T1314 PolarHBondContact O-N 3.44Å; S1286-T1314 PolarHBondContact O-OG1 2.74Å
1287E89.7Confident85.4Confident70 Ų7038.4 Ų38.433%0.32719%0.186SC..EExtended strand (participates in β ladder)trans-89129.9-179.3-70.7180179.100111.7A1213 W1263 R1313A1213-E1287 HydrophobicContact CB-CB 3.98Å; A1213-E1287 PolarHBondContact N-O 3.26Å; W1263-E1287 HydrophobicContact CH2-CB 4.21Å; E1287-R1313 HydrophobicContact CG-CB 4.09Å; E1287-R1313 HydrophobicContact CG-CG 3.76Å; E1287-R1313 IonicContact OE1-CZ 2.59Å; E1287-R1313 IonicContact OE1-NH1 2.8Å; E1287-R1313 PolarHBondContact OE1-NH1 2.77Å
1288Y91.6Very high83.3Confident12 Ų1241.8 Ų41.85%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-127.9134.3-179.8-65.8-81.3000110.2L1188 R1210 A1211 I1212 L1282 L1283 S1286 C1312 T1314L1188-Y1288 HydrophobicContact CD1-CD2 4.26Å; R1210-Y1288 HydrophobicContact CG-CD1 3.85Å; A1211-Y1288 CarbonylContact O-C 3.55Å; A1211-Y1288 WeakPolarHBondContact O-CA 3.5Å; I1212-Y1288 HydrophobicContact CB-CD1 3.99Å; I1212-Y1288 HydrophobicContact CB-CE1 3.86Å; I1212-Y1288 HydrophobicContact CD1-CE1 3.81Å; I1212-Y1288 HydrophobicContact CG1-CD1 4.1Å; I1212-Y1288 HydrophobicContact CG1-CE1 3.75Å; L1282-Y1288 HydrophobicContact CB-CE2 3.84Å; L1282-Y1288 HydrophobicContact CD1-CD2 4.28Å; L1282-Y1288 HydrophobicContact CD1-CE2 4.28Å; L1282-Y1288 HydrophobicContact CD2-CD1 4.31Å; L1282-Y1288 HydrophobicContact CD2-CD2 4.35Å; L1282-Y1288 HydrophobicContact CD2-CE1 3.93Å; L1282-Y1288 HydrophobicContact CD2-CE2 3.99Å; L1282-Y1288 HydrophobicContact CG-CE2 4.26Å; L1283-Y1288 PolarHBondContact N-OH 3.22Å; S1286-Y1288 VanDerWaalsContact O-CD2 3.32Å; S1286-Y1288 WeakPolarHBondContact O-CD2 3.48Å; Y1288-C1312 PolarHBondContact N-O 3.5Å; Y1288-C1312 PolarHBondContact O-N 2.8Å; Y1288-C1312 VanDerWaalsContact O-O 3.13Å; Y1288-T1314 HydrophobicContact CE2-CG2 4.26Å
1289A92.5Very high81.2Confident0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-98.4138.5168.500000109.8R1210 A1211 W1263 F1266 L1310 V1311R1210-A1289 CarbonylContact C-O 3.57Å; R1210-A1289 WeakPolarHBondContact CA-O 3.34Å; A1211-A1289 PolarHBondContact N-O 2.98Å; A1211-A1289 PolarHBondContact O-N 3.25Å; W1263-A1289 HydrophobicContact CD2-CB 3.51Å; W1263-A1289 HydrophobicContact CE3-CB 3.53Å; W1263-A1289 HydrophobicContact CG-CB 4.2Å; W1263-A1289 HydrophobicContact CH2-CB 3.9Å; W1263-A1289 HydrophobicContact CZ2-CB 3.86Å; W1263-A1289 HydrophobicContact CZ3-CB 3.72Å; F1266-A1289 HydrophobicContact CE1-CB 4.09Å; F1266-A1289 WeakPolarHBondContact CE1-O 3.25Å; F1266-A1289 HydrophobicContact CZ-CB 3.9Å; A1289-L1310 CarbonylContact C-O 3.55Å; A1289-L1310 WeakPolarHBondContact CA-O 3.33Å; A1289-V1311 HydrophobicContact CB-CG2 4.4Å
1290F93.7Very high79.4Confident0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-121.8144.9176-62.4-86.3000110.8L1178 L1188 I1190 L1208 S1209 R1210 V1269 V1279 Q1309 L1310 C1312L1178-F1290 HydrophobicContact CD2-CB 4.37Å; L1178-F1290 WeakPolarHBondContact CD2-O 3.1Å; L1188-F1290 HydrophobicContact CD1-CE2 3.6Å; L1188-F1290 HydrophobicContact CD1-CZ 3.91Å; I1190-F1290 HydrophobicContact CD1-CD2 3.93Å; I1190-F1290 HydrophobicContact CD1-CE2 4.01Å; I1190-F1290 HydrophobicContact CD1-CG 4.29Å; I1190-F1290 HydrophobicContact CD1-CZ 4.43Å; I1190-F1290 HydrophobicContact CG1-CD1 4.24Å; I1190-F1290 HydrophobicContact CG1-CD2 4.34Å; I1190-F1290 HydrophobicContact CG1-CE1 4.34Å; I1190-F1290 HydrophobicContact CG1-CE2 4.44Å; I1190-F1290 HydrophobicContact CG1-CG 4.24Å; I1190-F1290 HydrophobicContact CG1-CZ 4.43Å; L1208-F1290 HydrophobicContact CD1-CB 4.33Å; L1208-F1290 HydrophobicContact CD1-CD1 4.49Å; L1208-F1290 HydrophobicContact CG-CD1 4.45Å; S1209-F1290 VanDerWaalsContact O-CA 3.28Å; S1209-F1290 WeakPolarHBondContact O-CA 3.1Å; R1210-F1290 HydrophobicContact CB-CD1 4Å; R1210-F1290 HydrophobicContact CB-CE1 3.7Å; R1210-F1290 HydrophobicContact CG-CD1 4.39Å; R1210-F1290 HydrophobicContact CG-CE1 3.73Å; R1210-F1290 HydrophobicContact CG-CZ 4.1Å; V1269-F1290 HydrophobicContact CG2-CE1 4.5Å; V1279-F1290 HydrophobicContact CB-CE1 4.32Å; V1279-F1290 HydrophobicContact CG1-CE1 4.21Å; V1279-F1290 HydrophobicContact CG2-CE1 3.88Å; F1290-Q1309 CarbonylContact O-C 3.57Å; F1290-Q1309 WeakPolarHBondContact O-CA 3.46Å; F1290-L1310 HydrophobicContact CB-CB 4.46Å; F1290-L1310 PolarHBondContact N-O 2.9Å; F1290-L1310 PolarHBondContact O-N 2.94Å; F1290-C1312 HydrophobicContact CE2-CB 4.39Å
1291H92.5Very high78Confident22 Ų2241.4 Ų41.410%0.10223%0.231CC..EExtended strand (participates in β ladder)trans-139.2153.3162.269-104.4000109.6S1209 F1266 Q1293 P1306S1209-H1291 PolarHBondContact N-O 2.72Å; S1209-H1291 PolarHBondContact O-N 3.12Å; F1266-H1291 AromaticContact CD1-CE1 3.41Å; F1266-H1291 VanDerWaalsContact CD1-CE1 3.41Å; F1266-H1291 WeakPolarHBondContact CD1-CE1 3.27Å; F1266-H1291 AromaticContact CD1-ND1 3.2Å; F1266-H1291 WeakPolarHBondContact CD1-ND1 3.44Å; F1266-H1291 AromaticContact CE1-CE1 3.94Å; F1266-H1291 AromaticContact CE1-ND1 3.25Å; F1266-H1291 VanDerWaalsContact CE1-ND1 3.25Å; F1266-H1291 WeakPolarHBondContact CE1-ND1 3.43Å; F1266-H1291 AromaticContact CG-CE1 3.45Å; F1266-H1291 VanDerWaalsContact CG-CE1 3.45Å; F1266-H1291 WeakPolarHBondContact CG-CE1 3.48Å; F1266-H1291 AromaticContact CG-ND1 3.65Å; F1266-H1291 AromaticContact CZ-ND1 3.74Å; H1291-Q1293 PolarHBondContact NE2-NE2 2.68Å; H1291-P1306 HydrophobicContact CB-CB 4.3Å
1292V91.4Very high77Confident0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-122.8145.6176.165.30000110.4P1175 L1178 W1192 Y1206 R1207 L1208 S1307P1175-V1292 HydrophobicContact CB-CG1 3.76Å; P1175-V1292 HydrophobicContact CG-CG1 3.92Å; P1175-V1292 HydrophobicContact CG-CG2 4.33Å; L1178-V1292 HydrophobicContact CD1-CB 4.3Å; L1178-V1292 HydrophobicContact CD1-CG1 3.9Å; L1178-V1292 HydrophobicContact CD2-CG1 4.35Å; L1178-V1292 HydrophobicContact CG-CG1 4.48Å; W1192-V1292 HydrophobicContact CB-CG1 4.08Å; W1192-V1292 HydrophobicContact CD2-CB 4.41Å; W1192-V1292 HydrophobicContact CD2-CG1 4.34Å; W1192-V1292 HydrophobicContact CD2-CG2 3.96Å; W1192-V1292 HydrophobicContact CE3-CG2 4.49Å; W1192-V1292 HydrophobicContact CG-CG1 4.01Å; W1192-V1292 HydrophobicContact CG-CG2 4.23Å; W1192-V1292 HydrophobicContact CZ2-CG2 4.2Å; Y1206-V1292 HydrophobicContact CD1-CG2 4.27Å; R1207-V1292 WeakPolarHBondContact O-CA 3.31Å; L1208-V1292 HydrophobicContact CD1-CB 4.13Å; V1292-S1307 PolarHBondContact N-OG 2.7Å; V1292-S1307 PolarHBondContact O-N 2.96Å
1293Q89.1Confident76.4Confident29 Ų2936.9 Ų36.914%0.13622%0.215CC..EExtended strand (participates in β ladder)trans-141.2155.8172.862.4-154.5-59.400109.7Y1206 R1207 H1291 V1303 S1304Y1206-Q1293 WeakPolarHBondContact CA-O 3.36Å; R1207-Q1293 HydrophobicContact CB-CG 4.1Å; R1207-Q1293 PolarHBondContact N-O 2.87Å; R1207-Q1293 PolarHBondContact O-N 3.08Å; R1207-Q1293 VanDerWaalsContact O-N 3.13Å; H1291-Q1293 PolarHBondContact NE2-NE2 2.68Å; Q1293-V1303 HydrophobicContact CB-CG1 4.22Å; Q1293-V1303 HydrophobicContact CG-CG1 3.83Å; Q1293-S1304 WeakPolarHBondContact CA-OG 3.36Å; Q1293-S1304 WeakPolarHBondContact CB-OG 3.34Å
1294V81.7Confident76.2Confident0 Ų034.7 Ų34.70%020%0.204CC..EExtended strand (participates in β ladder)trans-81.3119.7168.9-178.90000107.6P1172 P1175 P1195 I1203 E1205 Y1206 V1303 S1304P1172-V1294 HydrophobicContact CB-CG2 4.46Å; P1172-V1294 HydrophobicContact CG-CG1 4.24Å; P1175-V1294 HydrophobicContact CG-CG2 4.11Å; P1195-V1294 HydrophobicContact CG-CG2 4.39Å; I1203-V1294 HydrophobicContact CG1-CG1 4.5Å; I1203-V1294 HydrophobicContact CG2-CG1 3.98Å; I1203-V1294 HydrophobicContact CG2-CG2 4.36Å; E1205-V1294 WeakPolarHBondContact O-CA 3.41Å; Y1206-V1294 HydrophobicContact CD1-CG2 3.97Å; Y1206-V1294 HydrophobicContact CE1-CG2 3.77Å; V1294-V1303 CarbonylContact O-C 3.51Å; V1294-V1303 VanDerWaalsContact O-CA 3.31Å; V1294-V1303 WeakPolarHBondContact O-CA 3.48Å; V1294-V1303 WeakPolarHBondContact O-CG1 3.44Å; V1294-S1304 PolarHBondContact N-OG 3.45Å; V1294-S1304 PolarHBondContact O-N 3.07Å
1295D68.8Low76.1Confident18 Ų1837.8 Ų37.810%0.09623%0.225CC..EExtended strand (participates in β ladder)trans-88.9165.3171.8-141-38.2000110E1205 R1207 Y1271 A1297 V1303E1205-D1295 HydrophobicContact CG-CB 4.12Å; E1205-D1295 PolarHBondContact O-N 2.81Å; R1207-D1295 HydrophobicContact CB-CB 4.33Å; R1207-D1295 IonicContact NH1-OD2 3.17Å; Y1271-D1295 HydrophobicContact CE1-CB 3.86Å; Y1271-D1295 WeakPolarHBondContact CE1-OD2 3.45Å; Y1271-D1295 PolarHBondContact OH-OD2 3.17Å; D1295-A1297 PolarHBondContact O-N 2.77Å; D1295-V1303 WeakPolarHBondContact OD1-CG2 3.42Å
1296N58.7Low76.1Confident70 Ų7038.6 Ų38.637%0.37423%0.233SC..PPolyproline II helixtrans-46.1126.8-152.7-84.2-82000117G1302N1296-G1302 WeakPolarHBondContact OD1-CA 3.23Å; N1296-G1302 PolarHBondContact OD1-N 3.01Å
1297A48.3Very low76.2Confident4 Ų438.4 Ų38.43%0.03323%0.231CC..PPolyproline II helixtrans-59.3155.5163.400000112.2A1201 P1202 D1295 N1299 S1300A1201-A1297 HydrophobicContact CB-CB 3.92Å; P1202-A1297 HydrophobicContact CG-CB 4.5Å; P1202-A1297 WeakPolarHBondContact O-CB 3.4Å; D1295-A1297 PolarHBondContact O-N 2.77Å; A1297-N1299 PolarHBondContact O-N 2.81Å; A1297-S1300 PolarHBondContact O-N 3.04Å
1298V50.1Low76Confident128 Ų12839.2 Ų39.278%0.77625%0.25SC*.THydrogen-bonded Turntrans-50.1-29.1-177.3-169.80000113.4P1202 V1204P1202-V1298 HydrophobicContact CG-CG2 4.46Å; V1204-V1298 HydrophobicContact CG2-CB 4.47Å; V1204-V1298 HydrophobicContact CG2-CG2 3.41Å; V1204-V1298 VanDerWaalsContact CG2-CG2 3.41Å
1299N48.8Very low75.9Confident75 Ų7543.6 Ų43.640%0.40127%0.271SS..THydrogen-bonded Turntrans-92.914-177.918.511.1000114.3P1202 A1297 V1301P1202-N1299 VanDerWaalsContact CD-OD1 3.3Å; P1202-N1299 WeakPolarHBondContact CD-OD1 3.29Å; A1297-N1299 PolarHBondContact O-N 2.81Å; N1299-V1301 VanDerWaalsContact C-N 3.34Å; N1299-V1301 HydrophobicContact CB-CG2 3.97Å; N1299-V1301 WeakPolarHBondContact O-CG2 3.1Å; N1299-V1301 PolarHBondContact O-N 3.03Å
1300S55.1Low75.9Confident100 Ų10045.1 Ų45.170%0.69928%0.278SS*.  trans56.837.9170.259.50000115.4A1297A1297-S1300 PolarHBondContact O-N 3.04Å
1301V62.3Low75.8Confident45 Ų4548.7 Ų48.727%0.27330%0.3SS..  trans-85.9-16.6-169.2-1600000113.1P1169 S1170 A1201 N1299P1169-V1301 HydrophobicContact CB-CG1 4.17Å; P1169-V1301 HydrophobicContact CB-CG2 4.14Å; P1169-V1301 VanDerWaalsContact O-CG1 3.3Å; P1169-V1301 WeakPolarHBondContact O-CG1 3.4Å; S1170-V1301 VanDerWaalsContact CA-CG1 3.48Å; A1201-V1301 HydrophobicContact CB-CG2 4.38Å; N1299-V1301 VanDerWaalsContact C-N 3.34Å; N1299-V1301 HydrophobicContact CB-CG2 3.97Å; N1299-V1301 WeakPolarHBondContact O-CG2 3.1Å; N1299-V1301 PolarHBondContact O-N 3.03Å
1302G66.9Low75.6Confident23 Ų2348.6 Ų48.624%0.23730%0.302CS..  trans124.8170.7-179.100000113.9N1296N1296-G1302 WeakPolarHBondContact OD1-CA 3.23Å; N1296-G1302 PolarHBondContact OD1-N 3.01Å
1303V76.1Confident75.6Confident54 Ų5453.9 Ų53.933%0.32732%0.322SS..PPolyproline II helixtrans-89.5144.3176.7-172.70000108.7Q1293 V1294 D1295Q1293-V1303 HydrophobicContact CB-CG1 4.22Å; Q1293-V1303 HydrophobicContact CG-CG1 3.83Å; V1294-V1303 CarbonylContact O-C 3.51Å; V1294-V1303 VanDerWaalsContact O-CA 3.31Å; V1294-V1303 WeakPolarHBondContact O-CA 3.48Å; V1294-V1303 WeakPolarHBondContact O-CG1 3.44Å; D1295-V1303 WeakPolarHBondContact OD1-CG2 3.42Å
1304S82.6Confident75.7Confident4 Ų452.7 Ų52.73%0.02832%0.316CS..PPolyproline II helixtrans-64.6160172.378.70000111.1P1172 D1173 Q1293 V1294P1172-S1304 WeakPolarHBondContact O-CA 3.39Å; P1172-S1304 WeakPolarHBondContact O-CB 3.34Å; D1173-S1304 WeakPolarHBondContact O-CB 3.39Å; Q1293-S1304 WeakPolarHBondContact CA-OG 3.36Å; Q1293-S1304 WeakPolarHBondContact CB-OG 3.34Å; V1294-S1304 PolarHBondContact N-OG 3.45Å; V1294-S1304 PolarHBondContact O-N 3.07Å
1305P83.9Confident76Confident75 Ų7557.6 Ų57.649%0.48734%0.339SS..PPolyproline II helixtrans-55148.8159.1-19.532.1000110.1C1174C1174-P1305 HydrophobicContact CB-CB 4.29Å; C1174-P1305 WeakPolarHBondContact CB-O 3.32Å
1306P86.2Confident76.8Confident67 Ų6758.3 Ų58.344%0.43535%0.345SS..PPolyproline II helixtrans-66.9148.1171.129-34.5000110.9H1291H1291-P1306 HydrophobicContact CB-CB 4.3Å
1307S89.7Confident78.1Confident10 Ų1055 Ų557%0.0733%0.328CS..PPolyproline II helixtrans-57.7166.4169.970.50000111.9L1178 V1292L1178-S1307 VanDerWaalsContact CD2-OG 3.28Å; L1178-S1307 WeakPolarHBondContact CD2-OG 3.19Å; V1292-S1307 PolarHBondContact N-OG 2.7Å; V1292-S1307 PolarHBondContact O-N 2.96Å
1308A86.7Confident80Confident87 Ų8757.2 Ų57.272%0.71934%0.342SS*.PPolyproline II helixtrans-52.1146.5160.700000110.6L1310A1308-L1310 PolarHBondContact O-N 3.1Å
1309Q89.4Confident81.9Confident105 Ų10551.2 Ų51.249%0.49131%0.305SS..PPolyproline II helixtrans-75.8120.5-178.8-69.3-177.8-1.300110.7F1266 F1290F1266-Q1309 HydrophobicContact CZ-CG 4.44Å; F1290-Q1309 CarbonylContact O-C 3.57Å; F1290-Q1309 WeakPolarHBondContact O-CA 3.46Å
1310L91.1Very high83.6Confident31 Ų3148.1 Ų48.116%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-87.5112.2169.7172.168.3000108.8L1178 R1179 C1180 I1190 A1289 F1290 A1308L1178-L1310 HydrophobicContact CD2-CB 3.71Å; L1178-L1310 HydrophobicContact CG-CB 3.82Å; L1178-L1310 HydrophobicContact CG-CD2 4.01Å; R1179-L1310 VanDerWaalsContact C-CD2 3.44Å; C1180-L1310 HydrophobicContact CB-CD2 4.22Å; I1190-L1310 HydrophobicContact CD1-CD2 4Å; I1190-L1310 HydrophobicContact CG2-CD2 4.03Å; A1289-L1310 CarbonylContact C-O 3.55Å; A1289-L1310 WeakPolarHBondContact CA-O 3.33Å; F1290-L1310 HydrophobicContact CB-CB 4.46Å; F1290-L1310 PolarHBondContact N-O 2.9Å; F1290-L1310 PolarHBondContact O-N 2.94Å; A1308-L1310 PolarHBondContact O-N 3.1Å
1311V92Very high85.3Confident76 Ų7646.2 Ų46.246%0.46128%0.277SS..EExtended strand (participates in β ladder)trans-89.9130.2170.7-179.60000109.2W1263 A1289W1263-V1311 HydrophobicContact CH2-CG1 3.82Å; W1263-V1311 HydrophobicContact CH2-CG2 4.29Å; W1263-V1311 HydrophobicContact CZ2-CB 4.44Å; W1263-V1311 HydrophobicContact CZ2-CG1 3.89Å; W1263-V1311 HydrophobicContact CZ2-CG2 3.67Å; A1289-V1311 HydrophobicContact CB-CG2 4.4Å
1312C89.8Confident86.6Confident19 Ų1944.3 Ų44.313%0.12827%0.265CS..EExtended strand (participates in β ladder)trans-141.4149.3-179.5-78.50000111.3C1180 L1188 Y1288 F1290C1180-C1312 WeakPolarHBondContact CB-SG 3.3Å; L1188-C1312 HydrophobicContact CD1-CB 3.84Å; L1188-C1312 HydrophobicContact CD2-CB 4.45Å; Y1288-C1312 PolarHBondContact N-O 3.5Å; Y1288-C1312 PolarHBondContact O-N 2.8Å; Y1288-C1312 VanDerWaalsContact O-O 3.13Å; F1290-C1312 HydrophobicContact CE2-CB 4.39Å
1313R90.5Very high87.7Confident112 Ų11246.1 Ų46.142%0.42327%0.272SS..EExtended strand (participates in β ladder)trans-117.8134.7179-161.7168.4176.5130.5-2.1109.5S1183 D1285 S1286 E1287S1183-R1313 PolarHBondContact OG-O 3.25Å; D1285-R1313 PolarHBondContact O-NH2 2.98Å; D1285-R1313 IonicContact OD1-CZ 3.26Å; D1285-R1313 VanDerWaalsContact OD1-CZ 3.27Å; D1285-R1313 IonicContact OD1-NE 2.74Å; D1285-R1313 PolarHBondContact OD1-NE 2.9Å; D1285-R1313 IonicContact OD1-NH2 2.9Å; D1285-R1313 PolarHBondContact OD1-NH2 2.97Å; D1285-R1313 IonicContact OD2-CZ 3.55Å; D1285-R1313 IonicContact OD2-NH2 3.55Å; D1285-R1313 PolarHBondContact OD2-NH2 2.94Å; S1286-R1313 WeakPolarHBondContact O-CA 3.45Å; E1287-R1313 HydrophobicContact CG-CB 4.09Å; E1287-R1313 HydrophobicContact CG-CG 3.76Å; E1287-R1313 IonicContact OE1-CZ 2.59Å; E1287-R1313 IonicContact OE1-NH1 2.8Å; E1287-R1313 PolarHBondContact OE1-NH1 2.77Å
1314T90.4Very high88.3Confident3 Ų348.5 Ų48.52%0.01828%0.283CS..PPolyproline II helixtrans-67.4155.616841.50000110.3T1184 L1188 L1282 L1283 D1285 S1286 Y1288T1184-T1314 WeakPolarHBondContact O-CA 3.24Å; T1184-T1314 WeakPolarHBondContact O-CB 3.39Å; L1188-T1314 HydrophobicContact CD1-CG2 4.32Å; L1188-T1314 HydrophobicContact CD2-CG2 4.31Å; L1188-T1314 HydrophobicContact CG-CG2 4.02Å; L1282-T1314 HydrophobicContact CB-CG2 3.74Å; L1282-T1314 HydrophobicContact CD1-CG2 3.89Å; L1282-T1314 HydrophobicContact CG-CG2 4.49Å; L1283-T1314 WeakPolarHBondContact O-CB 3.39Å; L1283-T1314 PolarHBondContact O-OG1 3.42Å; D1285-T1314 PolarHBondContact N-OG1 2.67Å; S1286-T1314 PolarHBondContact N-OG1 2.9Å; S1286-T1314 PolarHBondContact O-N 3.44Å; S1286-T1314 PolarHBondContact O-OG1 2.74Å; Y1288-T1314 HydrophobicContact CE2-CG2 4.26Å
1315Q88.2Confident88.7Confident103 Ų10349.5 Ų49.548%0.48129%0.287SS..PPolyproline II helixtrans-67.2159172.7-60.7-64.8-18.500110.9T1184 A1185 D1285T1184-Q1315 PolarHBondContact O-N 3.02Å; A1185-Q1315 WeakPolarHBondContact CA-O 3.12Å; D1285-Q1315 PolarHBondContact N-O 2.89Å
1316P87Confident89.1Confident34 Ų3449.1 Ų49.122%0.22128%0.284CS..PPolyproline II helixtrans-61151.2163.4-2133.8000111.3H1345 R1347P1316-H1345 WeakPolarHBondContact CA-O 3.35Å; P1316-R1347 HydrophobicContact CB-CG 3.93Å
1317G85.4Confident89.3Confident1 Ų146.9 Ų46.91%0.0127%0.271CS..  trans-138173.9-174.900000113.8H1345 N1395G1317-H1345 PolarHBondContact N-O 2.82Å; G1317-N1395 PolarHBondContact O-ND2 3.13Å
1318P88.3Confident89.2Confident50 Ų5052.2 Ų52.233%0.32530%0.295SS..PPolyproline II helixtrans-57.5149.2171.5-19.631.3000110.9H1345 V1399P1318-H1345 PolarHBondContact O-ND1 2.85Å; P1318-V1399 WeakPolarHBondContact CB-O 2.96Å
1319P89.2Confident89.2Confident1 Ų150.9 Ų50.91%0.00628%0.279CS..PPolyproline II helixtrans-69.4166.3-171.231.4-35.6000112.2P1342 V1349 A1393 N1395 G1398 G1400 P1401P1319-P1342 HydrophobicContact CB-CG 4.25Å; P1319-V1349 HydrophobicContact CB-CG2 4.04Å; P1319-A1393 HydrophobicContact CB-CB 4.08Å; P1319-A1393 HydrophobicContact CG-CB 3.59Å; P1319-N1395 HydrophobicContact CG-CB 4.46Å; P1319-G1398 WeakPolarHBondContact CD-O 3.45Å; P1319-G1400 WeakPolarHBondContact O-CA 3.44Å; P1319-P1401 WeakPolarHBondContact O-CD 3.12Å
1320G85.1Confident89Confident10 Ų1050.1 Ų50.110%0.10328%0.278CS..PPolyproline II helixtrans-66.4173.3174.900000113.8P1342 V1343 H1345G1320-P1342 VanDerWaalsContact C-CB 3.49Å; G1320-P1342 WeakPolarHBondContact O-CB 3.11Å; G1320-P1342 WeakPolarHBondContact O-CG 3.35Å; G1320-V1343 PolarHBondContact N-O 2.88Å; G1320-H1345 PolarHBondContact N-CE1 2.87Å; G1320-H1345 PolarHBondContact N-ND1 3.23Å
1321C89.7Confident88.6Confident61 Ų6149.8 Ų49.841%0.41228%0.278SS..PPolyproline II helixtrans-67.5131.9169.353.80000110.6P1401C1321-P1401 WeakPolarHBondContact CA-O 3.16Å; C1321-P1401 HydrophobicContact CB-CG 4.04Å
1322P90.9Very high88.2Confident4 Ų448.8 Ų48.83%0.02627%0.27CS..PPolyproline II helixtrans-54142.6169.6-27.437.3000111.5Y1352 V1391 A1393 A1403P1322-Y1352 HydrophobicContact CG-CD1 4.12Å; P1322-Y1352 HydrophobicContact CG-CE1 4.2Å; P1322-V1391 HydrophobicContact CB-CG1 4.34Å; P1322-V1391 HydrophobicContact CG-CG1 4.11Å; P1322-A1393 HydrophobicContact CG-CB 4.21Å; P1322-A1403 HydrophobicContact CB-CB 4.5Å; P1322-A1403 WeakPolarHBondContact O-CB 3.3Å
1323V88.9Confident88.1Confident61 Ų6154 Ų5437%0.3729%0.287SS..EExtended strand (participates in β ladder)trans-110.2168.1-173.5-58.10000111.6L1325 E1340V1323-L1325 VanDerWaalsContact C-N 3.28Å; V1323-L1325 PolarHBondContact O-N 3.17Å; V1323-L1325 VanDerWaalsContact O-N 3.16Å; V1323-E1340 HydrophobicContact CG2-CB 3.61Å; V1323-E1340 PolarHBondContact N-O 3.41Å; V1323-E1340 PolarHBondContact O-N 2.92Å
1324N89.5Confident88.1Confident104 Ų10452.4 Ų52.456%0.55629%0.285SS*.EExtended strand (participates in β ladder)trans51.138.8177-61.9-10.3000115.2T1326 E1340N1324-T1326 PolarHBondContact O-N 2.88Å; N1324-E1340 HydrophobicContact CB-CB 4.5Å; N1324-E1340 HydrophobicContact CB-CG 4.33Å; N1324-E1340 PolarHBondContact ND2-OE1 3.48Å; N1324-E1340 PolarHBondContact ND2-OE2 2.59Å
1325L91.3Very high88.2Confident25 Ų2552.3 Ų52.313%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-65.3119.9177-174.269.5000111.7V1323 L1337 T1338 W1339 V1391 A1403 I1406V1323-L1325 VanDerWaalsContact C-N 3.28Å; V1323-L1325 PolarHBondContact O-N 3.17Å; V1323-L1325 VanDerWaalsContact O-N 3.16Å; L1325-L1337 HydrophobicContact CD1-CD1 3.82Å; L1325-L1337 HydrophobicContact CD1-CD2 4.21Å; L1325-L1337 HydrophobicContact CD1-CG 3.9Å; L1325-L1337 HydrophobicContact CG-CD1 4.34Å; L1325-T1338 CarbonylContact C-O 3.55Å; L1325-T1338 WeakPolarHBondContact CA-O 3.31Å; L1325-W1339 HydrophobicContact CD1-CB 3.97Å; L1325-W1339 HydrophobicContact CD1-CE3 4.42Å; L1325-V1391 HydrophobicContact CD1-CB 4.24Å; L1325-V1391 HydrophobicContact CD1-CG2 3.6Å; L1325-A1403 HydrophobicContact CB-CB 4.47Å; L1325-A1403 HydrophobicContact CD2-CB 4.09Å; L1325-I1406 HydrophobicContact CD2-CB 4.45Å; L1325-I1406 HydrophobicContact CD2-CG2 3.9Å; L1325-I1406 HydrophobicContact CG-CG2 4.07Å
1326T91.5Very high88.4Confident67 Ų6749.4 Ų49.441%0.41127%0.272SS..EExtended strand (participates in β ladder)trans-131150.9175.955.10000112.2N1324 L1337 T1338N1324-T1326 PolarHBondContact O-N 2.88Å; T1326-L1337 WeakPolarHBondContact O-CA 3.35Å; T1326-T1338 PolarHBondContact N-O 2.95Å; T1326-T1338 PolarHBondContact O-N 3.39Å; T1326-T1338 PolarHBondContact OG1-OG1 2.84Å
1327A91Very high88.7Confident20 Ų2047.8 Ų47.817%0.16526%0.261CS..EExtended strand (participates in β ladder)trans-136.9122.4-177.300000111.5I1335 L1336 L1337 F1389 I1406 A1408A1327-I1335 HydrophobicContact CB-CG2 4.29Å; A1327-L1336 CarbonylContact C-O 3.43Å; A1327-L1336 VanDerWaalsContact CA-O 3.26Å; A1327-L1336 WeakPolarHBondContact CA-O 3.38Å; A1327-L1337 HydrophobicContact CB-CD1 3.82Å; A1327-F1389 HydrophobicContact CB-CD2 4.32Å; A1327-I1406 HydrophobicContact CB-CD1 4.19Å; A1327-I1406 HydrophobicContact CB-CG1 4.4Å; A1327-I1406 HydrophobicContact CB-CG2 3.81Å; A1327-A1408 HydrophobicContact CB-CB 3.98Å
1328E87.6Confident89.2Confident122 Ų12249.4 Ų49.457%0.5727%0.271SS*.EExtended strand (participates in β ladder)trans-123.9127.6-175.5-61.5-166.2148.800111.7L1330 I1335 L1336E1328-L1330 PolarHBondContact O-N 2.91Å; E1328-I1335 CarbonylContact O-C 3.58Å; E1328-I1335 WeakPolarHBondContact O-CA 3.44Å; E1328-L1336 PolarHBondContact N-O 2.83Å; E1328-L1336 PolarHBondContact O-N 2.89Å
1329P85.6Confident89.4Confident59 Ų5947.5 Ų47.538%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-75.8117.8177.630.2-32.6000111.3I1335 V1409 L1411P1329-I1335 HydrophobicContact CB-CG1 4.3Å; P1329-V1409 WeakPolarHBondContact CB-O 3.46Å; P1329-L1411 HydrophobicContact CB-CD2 4.5Å; P1329-L1411 HydrophobicContact CG-CD2 4.48Å
1330L85.5Confident89.6Confident89 Ų8952 Ų5247%0.46628%0.279SS..  trans-84.3-37179.1-62.4-177.3000112E1328 E1334 L1336 T1377E1328-L1330 PolarHBondContact O-N 2.91Å; L1330-E1334 HydrophobicContact CB-CB 4.03Å; L1330-E1334 PolarHBondContact N-O 2.81Å; L1330-L1336 HydrophobicContact CD1-CB 4.05Å; L1330-L1336 HydrophobicContact CD2-CB 4.09Å; L1330-L1336 HydrophobicContact CG-CB 3.98Å; L1330-T1377 HydrophobicContact CD1-CG2 3.86Å
1331S83.9Confident89.8Confident24 Ų2454.2 Ų54.217%0.16830%0.295CS..SBendtrans-151.8-164.9-174.583.40000113.5Y1333 E1334 L1411S1331-Y1333 PolarHBondContact O-N 3.07Å; S1331-Y1333 PolarHBondContact OG-N 3.43Å; S1331-E1334 WeakPolarHBondContact CB-OE2 3.49Å; S1331-E1334 PolarHBondContact N-O 2.79Å; S1331-E1334 WeakPolarHBondContact OG-CB 3.45Å; S1331-E1334 PolarHBondContact OG-N 2.95Å; S1331-E1334 PolarHBondContact OG-OE2 2.81Å; S1331-L1411 WeakPolarHBondContact O-CG 3.04Å; S1331-L1411 PolarHBondContact O-N 3.15Å
1332L83.8Confident89.8Confident56 Ų5652.1 Ų52.129%0.29328%0.281SS..SBendtrans-67.7-20.2168.9-68.3173.5000112.6P1383 L1411L1332-P1383 HydrophobicContact CB-CB 4.5Å; L1332-P1383 HydrophobicContact CB-CG 4.23Å; L1332-P1383 HydrophobicContact CD2-CB 4.49Å; L1332-P1383 VanDerWaalsContact O-CA 3.31Å; L1332-P1383 WeakPolarHBondContact O-CA 3.37Å; L1332-P1383 WeakPolarHBondContact O-CG 3.3Å; L1332-L1411 HydrophobicContact CD2-CB 3.98Å; L1332-L1411 WeakPolarHBondContact CD2-O 3.13Å
1333Y87.9Confident89.6Confident127 Ų12755.4 Ų55.450%0.49830%0.301SS..SBendtrans-131.72.6-170-49.5-84.1000113.9S1331 D1379 S1380 L1381 P1383S1331-Y1333 PolarHBondContact O-N 3.07Å; S1331-Y1333 PolarHBondContact OG-N 3.43Å; Y1333-D1379 CarbonylContact O-C 3.56Å; Y1333-S1380 PolarHBondContact O-N 3.29Å; Y1333-L1381 WeakPolarHBondContact CA-O 3.31Å; Y1333-L1381 VanDerWaalsContact CD1-O 3.29Å; Y1333-L1381 WeakPolarHBondContact CD1-O 3.37Å; Y1333-L1381 WeakPolarHBondContact O-CB 3.26Å; Y1333-L1381 PolarHBondContact O-N 3.42Å; Y1333-P1383 HydrophobicContact CD1-CG 3.93Å; Y1333-P1383 HydrophobicContact CE1-CG 3.44Å; Y1333-P1383 VanDerWaalsContact CE1-CG 3.44Å
1334E90Very high89.4Confident80 Ų8055.7 Ų55.737%0.37430%0.301SS..  trans-136.5137.5-170.3-64.9155.2120.700112.6L1330 S1331 T1377 F1378 D1379L1330-E1334 HydrophobicContact CB-CB 4.03Å; L1330-E1334 PolarHBondContact N-O 2.81Å; S1331-E1334 WeakPolarHBondContact CB-OE2 3.49Å; S1331-E1334 PolarHBondContact N-O 2.79Å; S1331-E1334 WeakPolarHBondContact OG-CB 3.45Å; S1331-E1334 PolarHBondContact OG-N 2.95Å; S1331-E1334 PolarHBondContact OG-OE2 2.81Å; E1334-T1377 HydrophobicContact CB-CG2 4.39Å; E1334-F1378 VanDerWaalsContact CA-O 3.29Å; E1334-F1378 WeakPolarHBondContact CA-O 3.14Å; E1334-D1379 HydrophobicContact CG-CB 4.34Å
1335I91.8Very high89.2Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-132.5127.9172.2-65.2174.1000109.2A1327 E1328 P1329 F1378 L1381 Y1387 F1389 A1408 T1410A1327-I1335 HydrophobicContact CB-CG2 4.29Å; E1328-I1335 CarbonylContact O-C 3.58Å; E1328-I1335 WeakPolarHBondContact O-CA 3.44Å; P1329-I1335 HydrophobicContact CB-CG1 4.3Å; I1335-F1378 PolarHBondContact N-O 3.3Å; I1335-F1378 PolarHBondContact O-N 2.83Å; I1335-L1381 HydrophobicContact CB-CD1 3.78Å; I1335-L1381 HydrophobicContact CD1-CD1 3.72Å; I1335-L1381 HydrophobicContact CG1-CD1 3.63Å; I1335-Y1387 HydrophobicContact CD1-CD2 4.23Å; I1335-F1389 HydrophobicContact CB-CZ 3.99Å; I1335-F1389 HydrophobicContact CD1-CE2 4.01Å; I1335-F1389 HydrophobicContact CD1-CZ 3.86Å; I1335-F1389 HydrophobicContact CG1-CZ 4.5Å; I1335-F1389 HydrophobicContact CG2-CE1 4.49Å; I1335-F1389 HydrophobicContact CG2-CE2 3.93Å; I1335-F1389 HydrophobicContact CG2-CZ 3.77Å; I1335-A1408 HydrophobicContact CD1-CB 3.96Å; I1335-A1408 HydrophobicContact CG2-CB 4.13Å; I1335-T1410 HydrophobicContact CD1-CG2 4.03Å; I1335-T1410 HydrophobicContact CG1-CG2 4.29Å
1336L93.4Very high88.6Confident42 Ų4252.3 Ų52.322%0.2229%0.287CS..EExtended strand (participates in β ladder)trans-84.6131.9172.9177.461.5000110.2A1327 E1328 L1330 T1338A1327-L1336 CarbonylContact C-O 3.43Å; A1327-L1336 VanDerWaalsContact CA-O 3.26Å; A1327-L1336 WeakPolarHBondContact CA-O 3.38Å; E1328-L1336 PolarHBondContact N-O 2.83Å; E1328-L1336 PolarHBondContact O-N 2.89Å; L1330-L1336 HydrophobicContact CD1-CB 4.05Å; L1330-L1336 HydrophobicContact CD2-CB 4.09Å; L1330-L1336 HydrophobicContact CG-CB 3.98Å; L1336-T1338 HydrophobicContact CD1-CG2 4.26Å; L1336-T1338 HydrophobicContact CD2-CG2 4.3Å; L1336-T1338 HydrophobicContact CG-CG2 4.02Å
1337L93.6Very high88.4Confident0 Ų054.3 Ų54.30%029%0.287CS..EExtended strand (participates in β ladder)trans-116.2135.8173.7-166.472000109.7L1325 T1326 A1327 W1339 T1375 Y1376 F1378 F1389 V1391 I1406L1325-L1337 HydrophobicContact CD1-CD1 3.82Å; L1325-L1337 HydrophobicContact CD1-CD2 4.21Å; L1325-L1337 HydrophobicContact CD1-CG 3.9Å; L1325-L1337 HydrophobicContact CG-CD1 4.34Å; T1326-L1337 WeakPolarHBondContact O-CA 3.35Å; A1327-L1337 HydrophobicContact CB-CD1 3.82Å; L1337-W1339 HydrophobicContact CB-CZ3 4.44Å; L1337-W1339 HydrophobicContact CD2-CE3 4.42Å; L1337-W1339 HydrophobicContact CD2-CZ3 4.27Å; L1337-W1339 HydrophobicContact CG-CE3 4.26Å; L1337-W1339 HydrophobicContact CG-CZ3 4.29Å; L1337-T1375 CarbonylContact O-C 3.59Å; L1337-T1375 WeakPolarHBondContact O-CA 3.27Å; L1337-Y1376 WeakPolarHBondContact CB-O 3.07Å; L1337-Y1376 PolarHBondContact N-O 3.38Å; L1337-Y1376 PolarHBondContact O-N 3.3Å; L1337-F1378 HydrophobicContact CB-CD2 4.36Å; L1337-F1378 HydrophobicContact CB-CE2 4.21Å; L1337-F1378 HydrophobicContact CD2-CE2 3.8Å; L1337-F1389 HydrophobicContact CD1-CB 3.57Å; L1337-F1389 HydrophobicContact CD1-CD1 4.34Å; L1337-F1389 HydrophobicContact CD1-CG 3.93Å; L1337-F1389 HydrophobicContact CD2-CB 4Å; L1337-F1389 HydrophobicContact CD2-CD1 4.29Å; L1337-F1389 HydrophobicContact CD2-CG 4.48Å; L1337-F1389 HydrophobicContact CG-CB 4.47Å; L1337-V1391 HydrophobicContact CD2-CG2 3.6Å; L1337-I1406 HydrophobicContact CD1-CG2 4.08Å
1338T94.3Very high88.2Confident36 Ų3657.3 Ų57.322%0.22131%0.305CS..EExtended strand (participates in β ladder)trans-139.2147.5178.4670000111.4L1325 T1326 L1336 L1374 T1375L1325-T1338 CarbonylContact C-O 3.55Å; L1325-T1338 WeakPolarHBondContact CA-O 3.31Å; T1326-T1338 PolarHBondContact N-O 2.95Å; T1326-T1338 PolarHBondContact O-N 3.39Å; T1326-T1338 PolarHBondContact OG1-OG1 2.84Å; L1336-T1338 HydrophobicContact CD1-CG2 4.26Å; L1336-T1338 HydrophobicContact CD2-CG2 4.3Å; L1336-T1338 HydrophobicContact CG-CG2 4.02Å; T1338-L1374 WeakPolarHBondContact CA-O 3.47Å; T1338-T1375 HydrophobicContact CG2-CG2 3.55Å
1339W94Very high88.3Confident10 Ų1052.8 Ų52.84%0.03829%0.285CS..EExtended strand (participates in β ladder)trans-151.8171.5-179.760.194.2000112L1325 L1337 Y1352 L1354 V1369 I1373 L1374 V1391L1325-W1339 HydrophobicContact CD1-CB 3.97Å; L1325-W1339 HydrophobicContact CD1-CE3 4.42Å; L1337-W1339 HydrophobicContact CB-CZ3 4.44Å; L1337-W1339 HydrophobicContact CD2-CE3 4.42Å; L1337-W1339 HydrophobicContact CD2-CZ3 4.27Å; L1337-W1339 HydrophobicContact CG-CE3 4.26Å; L1337-W1339 HydrophobicContact CG-CZ3 4.29Å; W1339-Y1352 HydrophobicContact CZ2-CD2 4.18Å; W1339-Y1352 HydrophobicContact CZ2-CG 4.26Å; W1339-Y1352 AromaticContact NE1-CD1 3.53Å; W1339-Y1352 AromaticContact NE1-CD2 3.64Å; W1339-Y1352 AromaticContact NE1-CE1 3.62Å; W1339-Y1352 AromaticContact NE1-CE2 3.73Å; W1339-Y1352 AromaticContact NE1-CG 3.56Å; W1339-Y1352 AromaticContact NE1-CZ 3.75Å; W1339-L1354 HydrophobicContact CH2-CD1 3.84Å; W1339-L1354 HydrophobicContact CH2-CD2 3.46Å; W1339-L1354 VanDerWaalsContact CH2-CD2 3.46Å; W1339-L1354 HydrophobicContact CH2-CG 4.32Å; W1339-L1354 HydrophobicContact CZ2-CD2 3.67Å; W1339-L1354 HydrophobicContact CZ3-CD1 4.27Å; W1339-L1354 HydrophobicContact CZ3-CD2 3.94Å; W1339-V1369 HydrophobicContact CH2-CG2 4.28Å; W1339-V1369 HydrophobicContact CZ2-CG2 3.98Å; W1339-I1373 HydrophobicContact CH2-CG2 4.49Å; W1339-I1373 VanDerWaalsContact CZ2-O 3.29Å; W1339-I1373 WeakPolarHBondContact CZ2-O 3.42Å; W1339-L1374 PolarHBondContact N-O 2.85Å; W1339-L1374 WeakPolarHBondContact O-CB 3.11Å; W1339-V1391 HydrophobicContact CD2-CG1 4.05Å; W1339-V1391 HydrophobicContact CD2-CG2 4.48Å; W1339-V1391 HydrophobicContact CE3-CG2 4.23Å; W1339-V1391 HydrophobicContact CG-CG1 4.22Å
1340E92.8Very high88.6Confident96 Ų9654 Ų5445%0.44929%0.291SS..EExtended strand (participates in β ladder)trans-112.2152.1172.9-81.6172.7-141.400111.7V1323 N1324V1323-E1340 HydrophobicContact CG2-CB 3.61Å; V1323-E1340 PolarHBondContact N-O 3.41Å; V1323-E1340 PolarHBondContact O-N 2.92Å; N1324-E1340 HydrophobicContact CB-CB 4.5Å; N1324-E1340 HydrophobicContact CB-CG 4.33Å; N1324-E1340 PolarHBondContact ND2-OE1 3.48Å; N1324-E1340 PolarHBondContact ND2-OE2 2.59Å
1341A89.3Confident88.9Confident55 Ų5550.7 Ų50.746%0.45528%0.276SS..  trans-65.7137.4-178.500000112.4Y1352 L1374A1341-Y1352 WeakPolarHBondContact CA-OH 3.47Å; A1341-Y1352 WeakPolarHBondContact CB-OH 3.37Å; A1341-L1374 HydrophobicContact CB-CD2 4.33Å
1342P89.4Confident89.4Confident18 Ų1849.7 Ų49.712%0.11727%0.268CS..  trans-78.2175.7176.333.3-36.5000112.9P1319 G1320 V1349 A1393P1319-P1342 HydrophobicContact CB-CG 4.25Å; G1320-P1342 VanDerWaalsContact C-CB 3.49Å; G1320-P1342 WeakPolarHBondContact O-CB 3.11Å; G1320-P1342 WeakPolarHBondContact O-CG 3.35Å; P1342-V1349 HydrophobicContact CG-CG2 4.16Å; P1342-A1393 HydrophobicContact CG-CB 3.59Å
1343V85.7Confident89.8Confident72 Ų7248.5 Ų48.544%0.43626%0.262SS..  trans-63.5133.5163.7-170.90000109.1G1320G1320-V1343 PolarHBondContact N-O 2.88Å
1344D85.4Confident90.1Very high68 Ų6842.5 Ų42.536%0.36424%0.239SC..  trans-78.1-18-172.767.71.3000114.3G1346 R1347 N1395D1344-G1346 PolarHBondContact O-N 2.77Å; D1344-G1346 PolarHBondContact OD1-N 2.81Å; D1344-R1347 PolarHBondContact O-N 2.9Å; D1344-N1395 PolarHBondContact O-ND2 3.18Å
1345H85Confident90Very high34 Ų3439.5 Ų39.516%0.15723%0.225CC..THydrogen-bonded Turntrans56.835-179.9-67.7163.2000113.6P1284 P1316 G1317 P1318 G1320P1284-H1345 HydrophobicContact CB-CB 3.72Å; P1284-H1345 HydrophobicContact CG-CB 3.92Å; P1316-H1345 WeakPolarHBondContact CA-O 3.35Å; G1317-H1345 PolarHBondContact N-O 2.82Å; P1318-H1345 PolarHBondContact O-ND1 2.85Å; G1320-H1345 PolarHBondContact N-CE1 2.87Å; G1320-H1345 PolarHBondContact N-ND1 3.23Å
1346G79.3Confident89.9Confident23 Ų2340 Ų4024%0.23723%0.228CC..THydrogen-bonded Turntrans87.41.5173.300000115.4D1344D1344-G1346 PolarHBondContact O-N 2.77Å; D1344-G1346 PolarHBondContact OD1-N 2.81Å
1347R87Confident89.5Confident110 Ų11039 Ų3942%0.41522%0.222SC..SBendtrans-136.7130166.5-67.8-61176.7131.9-6.9110.3P1316 D1344 N1395 E1396P1316-R1347 HydrophobicContact CB-CG 3.93Å; D1344-R1347 PolarHBondContact O-N 2.9Å; R1347-N1395 HydrophobicContact CB-CB 4.15Å; R1347-N1395 WeakPolarHBondContact O-CB 3.32Å; R1347-N1395 PolarHBondContact O-ND2 3Å; R1347-E1396 HydrophobicContact CB-CB 4.39Å; R1347-E1396 WeakPolarHBondContact CD-OE2 3.19Å; R1347-E1396 HydrophobicContact CG-CB 4.37Å; R1347-E1396 IonicContact CZ-OE2 3.78Å; R1347-E1396 IonicContact NE-OE2 3.39Å; R1347-E1396 IonicContact NH1-OE2 2.69Å; R1347-E1396 PolarHBondContact NH1-OE2 2.85Å
1348P87.9Confident88.8Confident83 Ų8340.5 Ų40.554%0.53923%0.232SC..  trans-59.6142.9-174.126.1-35.2000111.4V1350 N1395P1348-V1350 PolarHBondContact O-N 3.16Å; P1348-N1395 VanDerWaalsContact O-CB 3.22Å; P1348-N1395 WeakPolarHBondContact O-CB 3.16Å
1349V89.3Confident87.8Confident27 Ų2740.4 Ų40.416%0.16423%0.233CC..  trans-60.8133.2172.4-179.60000108.9P1319 P1342 S1351 Y1352 A1371 A1393P1319-V1349 HydrophobicContact CB-CG2 4.04Å; P1342-V1349 HydrophobicContact CG-CG2 4.16Å; V1349-S1351 WeakPolarHBondContact CG1-O 3.22Å; V1349-Y1352 HydrophobicContact CG1-CE1 4.21Å; V1349-Y1352 HydrophobicContact CG1-CE2 4.42Å; V1349-A1371 HydrophobicContact CB-CB 4.28Å; V1349-A1371 HydrophobicContact CG1-CB 3.97Å; V1349-A1371 WeakPolarHBondContact O-CB 3.07Å; V1349-A1393 HydrophobicContact CG1-CB 3.96Å; V1349-A1393 HydrophobicContact CG2-CB 4.28Å
1350V91.2Very high86.4Confident84 Ų8445 Ų4551%0.50926%0.264SS..  trans-105.3-35.6-178.3179.10000110.9P1348 A1371 C1394P1348-V1350 PolarHBondContact O-N 3.16Å; V1350-A1371 PolarHBondContact O-N 2.85Å; V1350-A1371 VanDerWaalsContact O-N 3.1Å; V1350-C1394 PolarHBondContact N-O 3.19Å
1351S92.6Very high85Confident20 Ų2045.5 Ų45.514%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-154.6166.6178.458.90000112.8V1349 V1369 A1393 C1394V1349-S1351 WeakPolarHBondContact CG1-O 3.22Å; S1351-V1369 CarbonylContact C-O 3.56Å; S1351-V1369 VanDerWaalsContact CA-O 3.22Å; S1351-V1369 WeakPolarHBondContact CA-O 3.36Å; S1351-V1369 WeakPolarHBondContact CB-O 3.42Å; S1351-A1393 CarbonylContact O-C 3.55Å; S1351-C1394 PolarHBondContact N-O 3.14Å; S1351-C1394 PolarHBondContact O-N 3.12Å
1352Y94.3Very high83.7Confident3 Ų347.9 Ų47.91%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-114.9137.4163.4-57.9-85.4000110P1322 W1339 A1341 V1349 V1368 V1369 I1373 L1374 V1391 Q1392 A1393P1322-Y1352 HydrophobicContact CG-CD1 4.12Å; P1322-Y1352 HydrophobicContact CG-CE1 4.2Å; W1339-Y1352 HydrophobicContact CZ2-CD2 4.18Å; W1339-Y1352 HydrophobicContact CZ2-CG 4.26Å; W1339-Y1352 AromaticContact NE1-CD1 3.53Å; W1339-Y1352 AromaticContact NE1-CD2 3.64Å; W1339-Y1352 AromaticContact NE1-CE1 3.62Å; W1339-Y1352 AromaticContact NE1-CE2 3.73Å; W1339-Y1352 AromaticContact NE1-CG 3.56Å; W1339-Y1352 AromaticContact NE1-CZ 3.75Å; A1341-Y1352 WeakPolarHBondContact CA-OH 3.47Å; A1341-Y1352 WeakPolarHBondContact CB-OH 3.37Å; V1349-Y1352 HydrophobicContact CG1-CE1 4.21Å; V1349-Y1352 HydrophobicContact CG1-CE2 4.42Å; Y1352-V1368 WeakPolarHBondContact O-CA 3.34Å; Y1352-V1369 HydrophobicContact CD2-CG2 4.3Å; Y1352-V1369 PolarHBondContact N-O 2.79Å; Y1352-V1369 PolarHBondContact O-N 2.83Å; Y1352-I1373 VanDerWaalsContact CD2-O 3.3Å; Y1352-I1373 WeakPolarHBondContact CD2-O 3.17Å; Y1352-I1373 WeakPolarHBondContact CE2-O 3.47Å; Y1352-L1374 HydrophobicContact CE2-CD2 3.88Å; Y1352-V1391 HydrophobicContact CD1-CG1 4.3Å; Y1352-Q1392 CarbonylContact C-O 3.5Å; Y1352-Q1392 VanDerWaalsContact CA-O 3.26Å; Y1352-Q1392 WeakPolarHBondContact CA-O 3.41Å; Y1352-A1393 HydrophobicContact CD1-CB 3.79Å; Y1352-A1393 HydrophobicContact CE1-CB 3.77Å
1353N92.3Very high82.9Confident31 Ų3151.6 Ų51.617%0.16630%0.3CS..EExtended strand (participates in β ladder)trans-100.4113.6168.9-51.4-35.3000107.8V1391 Q1392 V1399N1353-V1391 WeakPolarHBondContact O-CA 3.09Å; N1353-Q1392 HydrophobicContact CB-CG 3.72Å; N1353-Q1392 PolarHBondContact N-O 2.73Å; N1353-Q1392 PolarHBondContact ND2-NE2 2.71Å; N1353-Q1392 VanDerWaalsContact ND2-NE2 3.19Å; N1353-Q1392 PolarHBondContact O-N 3Å; N1353-V1399 WeakPolarHBondContact ND2-CG1 3.28Å
1354L92.8Very high82.3Confident0 Ų050.9 Ų50.90%030%0.297CS..EExtended strand (participates in β ladder)trans-94.6148.4173.8-31.5179.2000108.3W1339 P1366 V1367 V1369 Y1376 F1378 R1390 V1391W1339-L1354 HydrophobicContact CH2-CD1 3.84Å; W1339-L1354 HydrophobicContact CH2-CD2 3.46Å; W1339-L1354 VanDerWaalsContact CH2-CD2 3.46Å; W1339-L1354 HydrophobicContact CH2-CG 4.32Å; W1339-L1354 HydrophobicContact CZ2-CD2 3.67Å; W1339-L1354 HydrophobicContact CZ3-CD1 4.27Å; W1339-L1354 HydrophobicContact CZ3-CD2 3.94Å; L1354-P1366 CarbonylContact O-C 3.55Å; L1354-P1366 WeakPolarHBondContact O-CA 3.45Å; L1354-V1367 HydrophobicContact CB-CB 4.32Å; L1354-V1367 HydrophobicContact CD1-CG1 4.47Å; L1354-V1367 PolarHBondContact N-O 2.87Å; L1354-V1367 PolarHBondContact O-N 3.35Å; L1354-V1369 HydrophobicContact CD1-CG1 4.01Å; L1354-V1369 HydrophobicContact CD1-CG2 4.31Å; L1354-V1369 HydrophobicContact CD2-CG2 4.07Å; L1354-V1369 HydrophobicContact CG-CG2 4.27Å; L1354-Y1376 HydrophobicContact CD1-CD1 3.68Å; L1354-Y1376 HydrophobicContact CD1-CD2 4.05Å; L1354-Y1376 HydrophobicContact CD1-CE1 4.41Å; L1354-Y1376 HydrophobicContact CD1-CG 3.47Å; L1354-Y1376 VanDerWaalsContact CD1-CG 3.47Å; L1354-F1378 HydrophobicContact CB-CZ 3.94Å; L1354-F1378 HydrophobicContact CD1-CE2 4.39Å; L1354-F1378 HydrophobicContact CD1-CZ 4.22Å; L1354-R1390 CarbonylContact C-O 3.57Å; L1354-R1390 WeakPolarHBondContact CA-O 3.47Å; L1354-V1391 HydrophobicContact CD2-CB 4.3Å; L1354-V1391 HydrophobicContact CD2-CG1 3.63Å; L1354-V1391 HydrophobicContact CD2-CG2 3.83Å
1355E89.4Confident82.1Confident17 Ų1750.9 Ų50.98%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-135.1137.9165.5-71.2-178.6-16300110.9P1364 P1366 F1389 R1390 Y1402E1355-P1364 HydrophobicContact CB-CB 4.31Å; E1355-P1364 HydrophobicContact CG-CB 4.18Å; E1355-P1364 WeakPolarHBondContact OE2-CB 3.36Å; E1355-P1366 HydrophobicContact CG-CB 4.2Å; E1355-F1389 WeakPolarHBondContact O-CA 3.29Å; E1355-R1390 HydrophobicContact CB-CG 3.92Å; E1355-R1390 PolarHBondContact N-O 3.16Å; E1355-R1390 PolarHBondContact O-N 2.8Å; E1355-R1390 VanDerWaalsContact O-N 3.07Å; E1355-R1390 IonicContact OE1-CZ 3.73Å; E1355-R1390 IonicContact OE1-NE 3.25Å; E1355-R1390 IonicContact OE1-NH2 3.96Å; E1355-R1390 PolarHBondContact OE1-NH2 2.65Å; E1355-R1390 IonicContact OE2-CZ 3.18Å; E1355-R1390 IonicContact OE2-NE 2.8Å; E1355-R1390 PolarHBondContact OE2-NE 2.92Å; E1355-R1390 IonicContact OE2-NH2 3.68Å; E1355-R1390 PolarHBondContact OE2-NH2 2.94Å; E1355-Y1402 PolarHBondContact OE1-OH 3.16Å
1356V89.3Confident81.9Confident11 Ų1153.8 Ų53.87%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-108.3130.516561.60000109.5S1365 F1378 L1381 Y1387 R1388 F1389V1356-S1365 PolarHBondContact N-O 2.57Å; V1356-S1365 PolarHBondContact O-N 2.78Å; V1356-F1378 HydrophobicContact CB-CD1 3.8Å; V1356-F1378 HydrophobicContact CB-CE1 3.65Å; V1356-F1378 HydrophobicContact CB-CG 4.45Å; V1356-F1378 HydrophobicContact CB-CZ 4.19Å; V1356-F1378 HydrophobicContact CG1-CD1 3.56Å; V1356-F1378 HydrophobicContact CG1-CE1 3.5Å; V1356-F1378 VanDerWaalsContact CG1-CE1 3.5Å; V1356-F1378 HydrophobicContact CG1-CZ 4.47Å; V1356-F1378 HydrophobicContact CG2-CD1 4.49Å; V1356-L1381 HydrophobicContact CG2-CD2 4.43Å; V1356-Y1387 HydrophobicContact CG2-CD1 3.52Å; V1356-Y1387 HydrophobicContact CG2-CE1 4.31Å; V1356-Y1387 HydrophobicContact CG2-CG 4.04Å; V1356-R1388 WeakPolarHBondContact CA-O 3.24Å; V1356-F1389 HydrophobicContact CB-CD1 3.99Å; V1356-F1389 HydrophobicContact CB-CE1 3.82Å; V1356-F1389 HydrophobicContact CG2-CD1 3.97Å; V1356-F1389 HydrophobicContact CG2-CE1 3.42Å; V1356-F1389 VanDerWaalsContact CG2-CE1 3.42Å; V1356-F1389 HydrophobicContact CG2-CZ 3.87Å
1357I85.1Confident82.4Confident20 Ų2054.3 Ų54.310%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-121.8114.3-180-56.8166.6000108.5P1364 Y1387 R1388I1357-P1364 HydrophobicContact CD1-CB 4.48Å; I1357-P1364 HydrophobicContact CG1-CB 3.87Å; I1357-Y1387 WeakPolarHBondContact O-CA 3.4Å; I1357-R1388 HydrophobicContact CB-CB 4.29Å; I1357-R1388 PolarHBondContact N-O 3.13Å; I1357-R1388 PolarHBondContact O-N 3.14Å
1358P79.3Confident82.6Confident32 Ų3253.8 Ų53.821%0.20833%0.331CS..EExtended strand (participates in β ladder)trans-59.9145.3170.1-15.427.4000111.3D1361 C1363 Y1387P1358-D1361 HydrophobicContact CB-CB 4.46Å; P1358-D1361 CarbonylContact O-C 3.45Å; P1358-D1361 PolarHBondContact O-N 2.99Å; P1358-C1363 WeakPolarHBondContact CD-O 3.3Å; P1358-Y1387 HydrophobicContact CB-CD1 4.27Å; P1358-Y1387 HydrophobicContact CB-CE1 3.95Å; P1358-Y1387 HydrophobicContact CG-CD1 4.39Å; P1358-Y1387 HydrophobicContact CG-CE1 3.98Å
1359C73.6Confident82.8Confident34 Ų3450.2 Ų50.223%0.2331%0.308CS..SBendtrans-104.8120165.5-67.80000108.6S1386 R1388C1359-S1386 WeakPolarHBondContact CB-O 3.47Å; C1359-S1386 PolarHBondContact N-O 2.83Å; C1359-R1388 PolarHBondContact SG-NE 3.07Å
1360P64.3Low82.9Confident107 Ų10752.3 Ų52.370%0.69532%0.322SS*.SBendcis-97.1-8.619.737.6-37000116.8D1362P1360-D1362 PolarHBondContact O-N 2.94Å; P1360-D1362 VanDerWaalsContact O-N 3.11Å
1361D62.2Low82.8Confident107 Ų10749.9 Ų49.957%0.57231%0.311SS*.  trans-75.299-171.7-58.4-58000112.4P1358 C1363P1358-D1361 HydrophobicContact CB-CB 4.46Å; P1358-D1361 CarbonylContact O-C 3.45Å; P1358-D1361 PolarHBondContact O-N 2.99Å; D1361-C1363 PolarHBondContact O-N 2.72Å
1362D62.3Low82.6Confident104 Ų10455.6 Ų55.656%0.55634%0.34SS*.  trans-69.539.7177.7-79.2-39.7000113.8P1360 P1364 R1388P1360-D1362 PolarHBondContact O-N 2.94Å; P1360-D1362 VanDerWaalsContact O-N 3.11Å; D1362-P1364 VanDerWaalsContact O-CD 3.31Å; D1362-P1364 WeakPolarHBondContact O-CD 3.16Å; D1362-R1388 IonicContact OD1-CZ 2.68Å; D1362-R1388 VanDerWaalsContact OD1-CZ 3.25Å; D1362-R1388 IonicContact OD1-NH1 3.06Å; D1362-R1388 PolarHBondContact OD1-NH1 2.75Å; D1362-R1388 IonicContact OD1-NH2 2.7Å; D1362-R1388 PolarHBondContact OD1-NH2 2.67Å; D1362-R1388 VanDerWaalsContact OD1-NH2 3.13Å; D1362-R1388 IonicContact OD2-NH1 2.72Å
1363C71.7Confident82.5Confident96 Ų9658.2 Ų58.265%0.64935%0.353SS*.  trans-94.6101.8166.3-72.40000109.1P1358 D1361P1358-C1363 WeakPolarHBondContact CD-O 3.3Å; D1361-C1363 PolarHBondContact O-N 2.72Å
1364P74.4Confident82.5Confident58 Ų5859.7 Ų59.738%0.37736%0.361SS..  trans-68.8137.1175.227.4-33.5000111.4E1355 I1357 D1362 P1366E1355-P1364 HydrophobicContact CB-CB 4.31Å; E1355-P1364 HydrophobicContact CG-CB 4.18Å; E1355-P1364 WeakPolarHBondContact OE2-CB 3.36Å; I1357-P1364 HydrophobicContact CD1-CB 4.48Å; I1357-P1364 HydrophobicContact CG1-CB 3.87Å; D1362-P1364 VanDerWaalsContact O-CD 3.31Å; D1362-P1364 WeakPolarHBondContact O-CD 3.16Å; P1364-P1366 VanDerWaalsContact O-CD 3.26Å; P1364-P1366 WeakPolarHBondContact O-CD 3.31Å
1365S80Confident82.5Confident68 Ų6863.6 Ų63.648%0.47639%0.385SS..EExtended strand (participates in β ladder)trans-96102.9162.2-67.20000108.8V1356V1356-S1365 PolarHBondContact N-O 2.57Å; V1356-S1365 PolarHBondContact O-N 2.78Å
1366P82.3Confident82.6Confident95 Ų9566.1 Ų66.162%0.61739%0.394SS*.EExtended strand (participates in β ladder)trans-77.4141.5177.631.8-35.2000111.7L1354 E1355 P1364L1354-P1366 CarbonylContact O-C 3.55Å; L1354-P1366 WeakPolarHBondContact O-CA 3.45Å; E1355-P1366 HydrophobicContact CG-CB 4.2Å; P1364-P1366 VanDerWaalsContact O-CD 3.26Å; P1364-P1366 WeakPolarHBondContact O-CD 3.31Å
1367V89.3Confident82.8Confident34 Ų3468.3 Ų68.321%0.20641%0.408CS..EExtended strand (participates in β ladder)trans-130.2133.6173.3-179.40000107.9L1354 V1369 Y1376 F1378L1354-V1367 HydrophobicContact CB-CB 4.32Å; L1354-V1367 HydrophobicContact CD1-CG1 4.47Å; L1354-V1367 PolarHBondContact N-O 2.87Å; L1354-V1367 PolarHBondContact O-N 3.35Å; V1367-V1369 HydrophobicContact CG1-CG1 4.19Å; V1367-Y1376 HydrophobicContact CG1-CE1 4.3Å; V1367-Y1376 HydrophobicContact CG1-CE2 3.95Å; V1367-F1378 HydrophobicContact CG2-CE1 3.94Å
1368V90.3Very high83.1Confident98 Ų9867.8 Ų67.859%0.59441%0.405SS*.EExtended strand (participates in β ladder)trans-107.7127.1174.7-173.70000108.7Y1352Y1352-V1368 WeakPolarHBondContact O-CA 3.34Å
1369V92Very high83.4Confident8 Ų870.9 Ų70.95%0.04842%0.42CS..EExtended strand (participates in β ladder)trans-120.5148.3174.8-60.60000110.3W1339 S1351 Y1352 L1354 V1367 I1373 Y1376W1339-V1369 HydrophobicContact CH2-CG2 4.28Å; W1339-V1369 HydrophobicContact CZ2-CG2 3.98Å; S1351-V1369 CarbonylContact C-O 3.56Å; S1351-V1369 VanDerWaalsContact CA-O 3.22Å; S1351-V1369 WeakPolarHBondContact CA-O 3.36Å; S1351-V1369 WeakPolarHBondContact CB-O 3.42Å; Y1352-V1369 HydrophobicContact CD2-CG2 4.3Å; Y1352-V1369 PolarHBondContact N-O 2.79Å; Y1352-V1369 PolarHBondContact O-N 2.83Å; L1354-V1369 HydrophobicContact CD1-CG1 4.01Å; L1354-V1369 HydrophobicContact CD1-CG2 4.31Å; L1354-V1369 HydrophobicContact CD2-CG2 4.07Å; L1354-V1369 HydrophobicContact CG-CG2 4.27Å; V1367-V1369 HydrophobicContact CG1-CG1 4.19Å; V1369-I1373 HydrophobicContact CB-CB 4.04Å; V1369-I1373 HydrophobicContact CB-CD1 4.23Å; V1369-I1373 HydrophobicContact CB-CG2 4.08Å; V1369-I1373 HydrophobicContact CG1-CG2 4.4Å; V1369-I1373 HydrophobicContact CG2-CB 4.1Å; V1369-I1373 HydrophobicContact CG2-CG2 4.07Å; V1369-Y1376 HydrophobicContact CG1-CD2 3.74Å; V1369-Y1376 HydrophobicContact CG1-CE2 4.08Å
1370P92.1Very high84Confident71 Ų7174.2 Ų74.246%0.46144%0.443SS..EExtended strand (participates in β ladder)trans-71164.7178.1-10.427.3000112D1372 I1373P1370-D1372 WeakPolarHBondContact CB-OD1 3.47Å; P1370-D1372 PolarHBondContact O-N 3.35Å; P1370-D1372 VanDerWaalsContact O-N 3.17Å; P1370-I1373 PolarHBondContact O-N 2.96Å
1371A88.4Confident85.1Confident33 Ų3369.7 Ų69.727%0.27341%0.413SS..THydrogen-bonded Turntrans-66.6-14.3-170.700000116.5V1349 V1350 I1373V1349-A1371 HydrophobicContact CB-CB 4.28Å; V1349-A1371 HydrophobicContact CG1-CB 3.97Å; V1349-A1371 WeakPolarHBondContact O-CB 3.07Å; V1350-A1371 PolarHBondContact O-N 2.85Å; V1350-A1371 VanDerWaalsContact O-N 3.1Å; A1371-I1373 VanDerWaalsContact C-N 3.3Å
1372D89.5Confident86.2Confident140 Ų14069.9 Ų69.975%0.74941%0.413SS*.THydrogen-bonded Turntrans-79.1-12.8173.163.4-30.1000113.1P1370P1370-D1372 WeakPolarHBondContact CB-OD1 3.47Å; P1370-D1372 PolarHBondContact O-N 3.35Å; P1370-D1372 VanDerWaalsContact O-N 3.17Å
1373I91Very high87.1Confident58 Ų5866.9 Ų66.930%0.29740%0.4SS..  trans-91.6119.3177.5-58.2-166.7000110.7W1339 Y1352 V1369 P1370 A1371 T1375W1339-I1373 HydrophobicContact CH2-CG2 4.49Å; W1339-I1373 VanDerWaalsContact CZ2-O 3.29Å; W1339-I1373 WeakPolarHBondContact CZ2-O 3.42Å; Y1352-I1373 VanDerWaalsContact CD2-O 3.3Å; Y1352-I1373 WeakPolarHBondContact CD2-O 3.17Å; Y1352-I1373 WeakPolarHBondContact CE2-O 3.47Å; V1369-I1373 HydrophobicContact CB-CB 4.04Å; V1369-I1373 HydrophobicContact CB-CD1 4.23Å; V1369-I1373 HydrophobicContact CB-CG2 4.08Å; V1369-I1373 HydrophobicContact CG1-CG2 4.4Å; V1369-I1373 HydrophobicContact CG2-CB 4.1Å; V1369-I1373 HydrophobicContact CG2-CG2 4.07Å; P1370-I1373 PolarHBondContact O-N 2.96Å; A1371-I1373 VanDerWaalsContact C-N 3.3Å; I1373-T1375 WeakPolarHBondContact CG2-O 3.4Å
1374L92.8Very high87.4Confident62 Ų6267.7 Ų67.733%0.32539%0.394SS..  trans-116.61.1175.4-69.8-178.8000113.5T1338 W1339 A1341 Y1352T1338-L1374 WeakPolarHBondContact CA-O 3.47Å; W1339-L1374 PolarHBondContact N-O 2.85Å; W1339-L1374 WeakPolarHBondContact O-CB 3.11Å; A1341-L1374 HydrophobicContact CB-CD2 4.33Å; Y1352-L1374 HydrophobicContact CE2-CD2 3.88Å
1375T92.6Very high87.8Confident83 Ų8366.5 Ų66.551%0.50939%0.386SS..EExtended strand (participates in β ladder)trans-140.4141.317963.80000110.1L1337 T1338 I1373L1337-T1375 CarbonylContact O-C 3.59Å; L1337-T1375 WeakPolarHBondContact O-CA 3.27Å; T1338-T1375 HydrophobicContact CG2-CG2 3.55Å; I1373-T1375 WeakPolarHBondContact CG2-O 3.4Å
1376Y92.8Very high88.2Confident70 Ų7064.8 Ų64.828%0.27537%0.374SS..EExtended strand (participates in β ladder)trans-150.9131.3-179.4-174.3-91.1000111.3L1337 L1354 V1367 V1369 F1378L1337-Y1376 WeakPolarHBondContact CB-O 3.07Å; L1337-Y1376 PolarHBondContact N-O 3.38Å; L1337-Y1376 PolarHBondContact O-N 3.3Å; L1354-Y1376 HydrophobicContact CD1-CD1 3.68Å; L1354-Y1376 HydrophobicContact CD1-CD2 4.05Å; L1354-Y1376 HydrophobicContact CD1-CE1 4.41Å; L1354-Y1376 HydrophobicContact CD1-CG 3.47Å; L1354-Y1376 VanDerWaalsContact CD1-CG 3.47Å; V1367-Y1376 HydrophobicContact CG1-CE1 4.3Å; V1367-Y1376 HydrophobicContact CG1-CE2 3.95Å; V1369-Y1376 HydrophobicContact CG1-CD2 3.74Å; V1369-Y1376 HydrophobicContact CG1-CE2 4.08Å; Y1376-F1378 HydrophobicContact CD1-CD1 4.39Å; Y1376-F1378 AromaticContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CE1 4.28Å; Y1376-F1378 AromaticContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CG 4.13Å; Y1376-F1378 AromaticContact CD1-CZ 3.88Å; Y1376-F1378 HydrophobicContact CD1-CZ 3.88Å; Y1376-F1378 AromaticContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD2 4.05Å; Y1376-F1378 AromaticContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE2 4.03Å; Y1376-F1378 AromaticContact CE1-CG 3.99Å; Y1376-F1378 HydrophobicContact CE1-CG 3.99Å; Y1376-F1378 AromaticContact CE1-CZ 3.98Å; Y1376-F1378 HydrophobicContact CE1-CZ 3.98Å
1377T93Very high88.5Confident56 Ų5660.9 Ų60.934%0.34435%0.347SS..EExtended strand (participates in β ladder)trans-94.5122.2174.8-54.80000109.6L1330 E1334L1330-T1377 HydrophobicContact CD1-CG2 3.86Å; E1334-T1377 HydrophobicContact CB-CG2 4.39Å
1378F90.4Very high88.5Confident10 Ų1062.2 Ų62.24%0.04435%0.348CS..EExtended strand (participates in β ladder)trans-85.1113166.3-72.6-91.3000108.9E1334 I1335 L1337 L1354 V1356 V1367 Y1376 L1381 F1389E1334-F1378 VanDerWaalsContact CA-O 3.29Å; E1334-F1378 WeakPolarHBondContact CA-O 3.14Å; I1335-F1378 PolarHBondContact N-O 3.3Å; I1335-F1378 PolarHBondContact O-N 2.83Å; L1337-F1378 HydrophobicContact CB-CD2 4.36Å; L1337-F1378 HydrophobicContact CB-CE2 4.21Å; L1337-F1378 HydrophobicContact CD2-CE2 3.8Å; L1354-F1378 HydrophobicContact CB-CZ 3.94Å; L1354-F1378 HydrophobicContact CD1-CE2 4.39Å; L1354-F1378 HydrophobicContact CD1-CZ 4.22Å; V1356-F1378 HydrophobicContact CB-CD1 3.8Å; V1356-F1378 HydrophobicContact CB-CE1 3.65Å; V1356-F1378 HydrophobicContact CB-CG 4.45Å; V1356-F1378 HydrophobicContact CB-CZ 4.19Å; V1356-F1378 HydrophobicContact CG1-CD1 3.56Å; V1356-F1378 HydrophobicContact CG1-CE1 3.5Å; V1356-F1378 VanDerWaalsContact CG1-CE1 3.5Å; V1356-F1378 HydrophobicContact CG1-CZ 4.47Å; V1356-F1378 HydrophobicContact CG2-CD1 4.49Å; V1367-F1378 HydrophobicContact CG2-CE1 3.94Å; Y1376-F1378 HydrophobicContact CD1-CD1 4.39Å; Y1376-F1378 AromaticContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CE1 4.28Å; Y1376-F1378 AromaticContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CG 4.13Å; Y1376-F1378 AromaticContact CD1-CZ 3.88Å; Y1376-F1378 HydrophobicContact CD1-CZ 3.88Å; Y1376-F1378 AromaticContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD2 4.05Å; Y1376-F1378 AromaticContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE2 4.03Å; Y1376-F1378 AromaticContact CE1-CG 3.99Å; Y1376-F1378 HydrophobicContact CE1-CG 3.99Å; Y1376-F1378 AromaticContact CE1-CZ 3.98Å; Y1376-F1378 HydrophobicContact CE1-CZ 3.98Å; F1378-L1381 HydrophobicContact CB-CD1 4.13Å; F1378-L1381 HydrophobicContact CB-CD2 4.3Å; F1378-L1381 HydrophobicContact CB-CG 4.42Å; F1378-F1389 HydrophobicContact CB-CE1 4.18Å; F1378-F1389 HydrophobicContact CD1-CE1 4.43Å; F1378-F1389 AromaticContact CD2-CD1 3.78Å; F1378-F1389 HydrophobicContact CD2-CD1 3.78Å; F1378-F1389 AromaticContact CD2-CE1 3.51Å; F1378-F1389 HydrophobicContact CD2-CE1 3.51Å; F1378-F1389 AromaticContact CE2-CD1 3.73Å; F1378-F1389 HydrophobicContact CE2-CD1 3.73Å; F1378-F1389 AromaticContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CG-CD1 4.39Å; F1378-F1389 AromaticContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CZ-CD1 4.3Å
1379D86.3Confident88.6Confident97 Ų9757.5 Ų57.552%0.51932%0.32SS..  trans-90.6-176.1170.270.561000112.2Y1333 E1334 L1381Y1333-D1379 CarbonylContact O-C 3.56Å; E1334-D1379 HydrophobicContact CG-CB 4.34Å; D1379-L1381 PolarHBondContact O-N 2.74Å
1380S86.6Confident88.5Confident103 Ų10360.7 Ų60.772%0.7233%0.331SS*.SBendtrans58.220.4173-57.30000115.5Y1333Y1333-S1380 PolarHBondContact O-N 3.29Å
1381L87.4Confident88.6Confident12 Ų1257.3 Ų57.36%0.06331%0.309CS..PPolyproline II helixtrans-75.9156177.9-54.7-179.5000111.3Y1333 I1335 V1356 F1378 D1379 Y1387 F1389 T1410Y1333-L1381 WeakPolarHBondContact CA-O 3.31Å; Y1333-L1381 VanDerWaalsContact CD1-O 3.29Å; Y1333-L1381 WeakPolarHBondContact CD1-O 3.37Å; Y1333-L1381 WeakPolarHBondContact O-CB 3.26Å; Y1333-L1381 PolarHBondContact O-N 3.42Å; I1335-L1381 HydrophobicContact CB-CD1 3.78Å; I1335-L1381 HydrophobicContact CD1-CD1 3.72Å; I1335-L1381 HydrophobicContact CG1-CD1 3.63Å; V1356-L1381 HydrophobicContact CG2-CD2 4.43Å; F1378-L1381 HydrophobicContact CB-CD1 4.13Å; F1378-L1381 HydrophobicContact CB-CD2 4.3Å; F1378-L1381 HydrophobicContact CB-CG 4.42Å; D1379-L1381 PolarHBondContact O-N 2.74Å; L1381-Y1387 HydrophobicContact CB-CE2 3.77Å; L1381-Y1387 HydrophobicContact CD1-CD2 4.27Å; L1381-Y1387 HydrophobicContact CD1-CE2 4.3Å; L1381-Y1387 HydrophobicContact CD2-CD1 4.33Å; L1381-Y1387 HydrophobicContact CD2-CD2 4.48Å; L1381-Y1387 HydrophobicContact CD2-CE1 3.94Å; L1381-Y1387 HydrophobicContact CD2-CE2 4.13Å; L1381-Y1387 HydrophobicContact CG-CE2 4.29Å; L1381-F1389 HydrophobicContact CD1-CZ 4.49Å; L1381-T1410 HydrophobicContact CB-CG2 3.75Å; L1381-T1410 HydrophobicContact CD1-CG2 4.18Å
1382L84.1Confident88.8Confident111 Ų11156.6 Ų56.658%0.58130%0.3SS*.PPolyproline II helixtrans-85.4135.4179-66.4174.3000111T1385 Y1387 T1410L1382-T1385 HydrophobicContact CB-CG2 4.49Å; L1382-T1385 VanDerWaalsContact CB-OG1 3.31Å; L1382-T1385 WeakPolarHBondContact CB-OG1 3.38Å; L1382-T1385 WeakPolarHBondContact O-CB 3.37Å; L1382-T1385 PolarHBondContact O-N 3.35Å; L1382-T1385 PolarHBondContact O-OG1 2.92Å; L1382-Y1387 PolarHBondContact N-OH 2.92Å; L1382-T1410 WeakPolarHBondContact O-CG2 3.4Å; L1382-T1410 PolarHBondContact O-OG1 3.48Å
1383P82Confident89Confident42 Ų4250 Ų5027%0.27326%0.264SS..THydrogen-bonded Turntrans-57.1154.2175.4-24.633.4000113.6L1332 Y1333 T1385 T1410L1332-P1383 HydrophobicContact CB-CB 4.5Å; L1332-P1383 HydrophobicContact CB-CG 4.23Å; L1332-P1383 HydrophobicContact CD2-CB 4.49Å; L1332-P1383 VanDerWaalsContact O-CA 3.31Å; L1332-P1383 WeakPolarHBondContact O-CA 3.37Å; L1332-P1383 WeakPolarHBondContact O-CG 3.3Å; Y1333-P1383 HydrophobicContact CD1-CG 3.93Å; Y1333-P1383 HydrophobicContact CE1-CG 3.44Å; Y1333-P1383 VanDerWaalsContact CE1-CG 3.44Å; P1383-T1385 PolarHBondContact O-N 3.29Å; P1383-T1385 PolarHBondContact O-OG1 3.04Å; P1383-T1385 VanDerWaalsContact O-OG1 3.07Å; P1383-T1410 VanDerWaalsContact C-OG1 3.29Å; P1383-T1410 WeakPolarHBondContact CA-OG1 3.38Å
1384E79Confident89Confident112 Ų11248.4 Ų48.452%0.52326%0.259SS..THydrogen-bonded Turntrans518-173.1-55.7-161117.300116.5T1410 L1411 S1412E1384-T1410 PolarHBondContact N-OG1 3.37Å; E1384-L1411 PolarHBondContact N-O 2.91Å; E1384-L1411 VanDerWaalsContact N-O 3.15Å; E1384-S1412 WeakPolarHBondContact OE1-CB 3.45Å; E1384-S1412 PolarHBondContact OE1-OG 2.77Å
1385T82.9Confident88.9Confident33 Ų3345.8 Ų45.820%0.20225%0.245CC..  trans-92.5138.2-172.7-570000111.2L1382 P1383 Y1387 V1409 T1410L1382-T1385 HydrophobicContact CB-CG2 4.49Å; L1382-T1385 VanDerWaalsContact CB-OG1 3.31Å; L1382-T1385 WeakPolarHBondContact CB-OG1 3.38Å; L1382-T1385 WeakPolarHBondContact O-CB 3.37Å; L1382-T1385 PolarHBondContact O-N 3.35Å; L1382-T1385 PolarHBondContact O-OG1 2.92Å; P1383-T1385 PolarHBondContact O-N 3.29Å; P1383-T1385 PolarHBondContact O-OG1 3.04Å; P1383-T1385 VanDerWaalsContact O-OG1 3.07Å; T1385-Y1387 HydrophobicContact CG2-CD2 4.34Å; T1385-Y1387 HydrophobicContact CG2-CE1 4.39Å; T1385-Y1387 HydrophobicContact CG2-CE2 3.69Å; T1385-Y1387 WeakPolarHBondContact O-CD2 3.38Å; T1385-V1409 WeakPolarHBondContact O-CA 3.29Å; T1385-T1410 PolarHBondContact N-OG1 3.14Å; T1385-T1410 PolarHBondContact O-N 3.07Å; T1385-T1410 PolarHBondContact O-OG1 2.95Å
1386S86.8Confident88.7Confident32 Ų3248 Ų4822%0.22425%0.249CC..EExtended strand (participates in β ladder)trans-91.3133.5176.7-173.60000110.7C1359 A1408C1359-S1386 WeakPolarHBondContact CB-O 3.47Å; C1359-S1386 PolarHBondContact N-O 2.83Å; S1386-A1408 WeakPolarHBondContact CA-O 3.13Å; S1386-A1408 PolarHBondContact OG-O 2.81Å
1387Y89Confident88.4Confident14 Ų1447.4 Ų47.46%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-123142.4-179.6-68.7-83.4000110.3I1335 V1356 I1357 P1358 L1381 L1382 T1385 F1389 R1407 A1408 T1410I1335-Y1387 HydrophobicContact CD1-CD2 4.23Å; V1356-Y1387 HydrophobicContact CG2-CD1 3.52Å; V1356-Y1387 HydrophobicContact CG2-CE1 4.31Å; V1356-Y1387 HydrophobicContact CG2-CG 4.04Å; I1357-Y1387 WeakPolarHBondContact O-CA 3.4Å; P1358-Y1387 HydrophobicContact CB-CD1 4.27Å; P1358-Y1387 HydrophobicContact CB-CE1 3.95Å; P1358-Y1387 HydrophobicContact CG-CD1 4.39Å; P1358-Y1387 HydrophobicContact CG-CE1 3.98Å; L1381-Y1387 HydrophobicContact CB-CE2 3.77Å; L1381-Y1387 HydrophobicContact CD1-CD2 4.27Å; L1381-Y1387 HydrophobicContact CD1-CE2 4.3Å; L1381-Y1387 HydrophobicContact CD2-CD1 4.33Å; L1381-Y1387 HydrophobicContact CD2-CD2 4.48Å; L1381-Y1387 HydrophobicContact CD2-CE1 3.94Å; L1381-Y1387 HydrophobicContact CD2-CE2 4.13Å; L1381-Y1387 HydrophobicContact CG-CE2 4.29Å; L1382-Y1387 PolarHBondContact N-OH 2.92Å; T1385-Y1387 HydrophobicContact CG2-CD2 4.34Å; T1385-Y1387 HydrophobicContact CG2-CE1 4.39Å; T1385-Y1387 HydrophobicContact CG2-CE2 3.69Å; T1385-Y1387 WeakPolarHBondContact O-CD2 3.38Å; Y1387-F1389 VanDerWaalsContact CB-CE2 3.49Å; Y1387-F1389 HydrophobicContact CG-CZ 4.35Å; Y1387-R1407 WeakPolarHBondContact O-CA 3.11Å; Y1387-A1408 PolarHBondContact N-O 3.1Å; Y1387-A1408 PolarHBondContact O-N 3.01Å; Y1387-T1410 HydrophobicContact CD2-CG2 4.4Å; Y1387-T1410 HydrophobicContact CE2-CG2 4.09Å
1388R90.4Very high88Confident61 Ų6145.9 Ų45.923%0.2325%0.25CS..EExtended strand (participates in β ladder)trans-99.4137.8165.9-48.7175.3-156.3143.919.3108.4V1356 I1357 C1359 D1362 I1406 R1407V1356-R1388 WeakPolarHBondContact CA-O 3.24Å; I1357-R1388 HydrophobicContact CB-CB 4.29Å; I1357-R1388 PolarHBondContact N-O 3.13Å; I1357-R1388 PolarHBondContact O-N 3.14Å; C1359-R1388 PolarHBondContact SG-NE 3.07Å; D1362-R1388 IonicContact OD1-CZ 2.68Å; D1362-R1388 VanDerWaalsContact OD1-CZ 3.25Å; D1362-R1388 IonicContact OD1-NH1 3.06Å; D1362-R1388 PolarHBondContact OD1-NH1 2.75Å; D1362-R1388 IonicContact OD1-NH2 2.7Å; D1362-R1388 PolarHBondContact OD1-NH2 2.67Å; D1362-R1388 VanDerWaalsContact OD1-NH2 3.13Å; D1362-R1388 IonicContact OD2-NH1 2.72Å; R1388-I1406 CarbonylContact C-O 3.55Å; R1388-I1406 WeakPolarHBondContact CA-O 3.32Å; R1388-R1407 HydrophobicContact CG-CG 4.07Å
1389F91.7Very high88Confident0 Ų049 Ų490%027%0.27CS..EExtended strand (participates in β ladder)trans-120.5132.6176.6-58.9-90.6000109.6A1327 I1335 L1337 E1355 V1356 F1378 L1381 Y1387 P1405 I1406 A1408A1327-F1389 HydrophobicContact CB-CD2 4.32Å; I1335-F1389 HydrophobicContact CB-CZ 3.99Å; I1335-F1389 HydrophobicContact CD1-CE2 4.01Å; I1335-F1389 HydrophobicContact CD1-CZ 3.86Å; I1335-F1389 HydrophobicContact CG1-CZ 4.5Å; I1335-F1389 HydrophobicContact CG2-CE1 4.49Å; I1335-F1389 HydrophobicContact CG2-CE2 3.93Å; I1335-F1389 HydrophobicContact CG2-CZ 3.77Å; L1337-F1389 HydrophobicContact CD1-CB 3.57Å; L1337-F1389 HydrophobicContact CD1-CD1 4.34Å; L1337-F1389 HydrophobicContact CD1-CG 3.93Å; L1337-F1389 HydrophobicContact CD2-CB 4Å; L1337-F1389 HydrophobicContact CD2-CD1 4.29Å; L1337-F1389 HydrophobicContact CD2-CG 4.48Å; L1337-F1389 HydrophobicContact CG-CB 4.47Å; E1355-F1389 WeakPolarHBondContact O-CA 3.29Å; V1356-F1389 HydrophobicContact CB-CD1 3.99Å; V1356-F1389 HydrophobicContact CB-CE1 3.82Å; V1356-F1389 HydrophobicContact CG2-CD1 3.97Å; V1356-F1389 HydrophobicContact CG2-CE1 3.42Å; V1356-F1389 VanDerWaalsContact CG2-CE1 3.42Å; V1356-F1389 HydrophobicContact CG2-CZ 3.87Å; F1378-F1389 HydrophobicContact CB-CE1 4.18Å; F1378-F1389 HydrophobicContact CD1-CE1 4.43Å; F1378-F1389 AromaticContact CD2-CD1 3.78Å; F1378-F1389 HydrophobicContact CD2-CD1 3.78Å; F1378-F1389 AromaticContact CD2-CE1 3.51Å; F1378-F1389 HydrophobicContact CD2-CE1 3.51Å; F1378-F1389 AromaticContact CE2-CD1 3.73Å; F1378-F1389 HydrophobicContact CE2-CD1 3.73Å; F1378-F1389 AromaticContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CG-CD1 4.39Å; F1378-F1389 AromaticContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CZ-CD1 4.3Å; L1381-F1389 HydrophobicContact CD1-CZ 4.49Å; Y1387-F1389 VanDerWaalsContact CB-CE2 3.49Å; Y1387-F1389 HydrophobicContact CG-CZ 4.35Å; F1389-P1405 CarbonylContact O-C 3.59Å; F1389-P1405 VanDerWaalsContact O-CA 3.26Å; F1389-P1405 WeakPolarHBondContact O-CA 3.2Å; F1389-I1406 HydrophobicContact CB-CG2 3.94Å; F1389-I1406 PolarHBondContact N-O 3.15Å; F1389-I1406 PolarHBondContact O-N 3.08Å; F1389-A1408 HydrophobicContact CE2-CB 4.07Å
1390R90.5Very high88.1Confident75 Ų7544.6 Ų44.628%0.28325%0.247SC..EExtended strand (participates in β ladder)trans-135.2147.4172.962.1177.6-175.2159.14.4111L1354 E1355 Y1402 P1405L1354-R1390 CarbonylContact C-O 3.57Å; L1354-R1390 WeakPolarHBondContact CA-O 3.47Å; E1355-R1390 HydrophobicContact CB-CG 3.92Å; E1355-R1390 PolarHBondContact N-O 3.16Å; E1355-R1390 PolarHBondContact O-N 2.8Å; E1355-R1390 VanDerWaalsContact O-N 3.07Å; E1355-R1390 IonicContact OE1-CZ 3.73Å; E1355-R1390 IonicContact OE1-NE 3.25Å; E1355-R1390 IonicContact OE1-NH2 3.96Å; E1355-R1390 PolarHBondContact OE1-NH2 2.65Å; E1355-R1390 IonicContact OE2-CZ 3.18Å; E1355-R1390 IonicContact OE2-NE 2.8Å; E1355-R1390 PolarHBondContact OE2-NE 2.92Å; E1355-R1390 IonicContact OE2-NH2 3.68Å; E1355-R1390 PolarHBondContact OE2-NH2 2.94Å; R1390-Y1402 HydrophobicContact CB-CD1 3.84Å; R1390-Y1402 HydrophobicContact CB-CG 4.41Å; R1390-Y1402 HydrophobicContact CG-CD1 3.55Å; R1390-Y1402 HydrophobicContact CG-CE1 3.82Å; R1390-Y1402 HydrophobicContact CG-CG 4.29Å; R1390-P1405 HydrophobicContact CB-CB 4.26Å
1391V93.3Very high88.3Confident0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-136.3130-174.7-178.10000109.7P1322 L1325 L1337 W1339 Y1352 N1353 L1354 Y1402 A1403P1322-V1391 HydrophobicContact CB-CG1 4.34Å; P1322-V1391 HydrophobicContact CG-CG1 4.11Å; L1325-V1391 HydrophobicContact CD1-CB 4.24Å; L1325-V1391 HydrophobicContact CD1-CG2 3.6Å; L1337-V1391 HydrophobicContact CD2-CG2 3.6Å; W1339-V1391 HydrophobicContact CD2-CG1 4.05Å; W1339-V1391 HydrophobicContact CD2-CG2 4.48Å; W1339-V1391 HydrophobicContact CE3-CG2 4.23Å; W1339-V1391 HydrophobicContact CG-CG1 4.22Å; Y1352-V1391 HydrophobicContact CD1-CG1 4.3Å; N1353-V1391 WeakPolarHBondContact O-CA 3.09Å; L1354-V1391 HydrophobicContact CD2-CB 4.3Å; L1354-V1391 HydrophobicContact CD2-CG1 3.63Å; L1354-V1391 HydrophobicContact CD2-CG2 3.83Å; V1391-Y1402 CarbonylContact O-C 3.53Å; V1391-Y1402 WeakPolarHBondContact O-CA 3.28Å; V1391-A1403 WeakPolarHBondContact O-CB 3.32Å; V1391-A1403 PolarHBondContact O-N 2.92Å
1392Q93.3Very high88.5Confident18 Ų1846.2 Ų46.28%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-124.5151.7171.459.6179.1-300109.7Y1352 N1353 G1400 Y1402Y1352-Q1392 CarbonylContact C-O 3.5Å; Y1352-Q1392 VanDerWaalsContact CA-O 3.26Å; Y1352-Q1392 WeakPolarHBondContact CA-O 3.41Å; N1353-Q1392 HydrophobicContact CB-CG 3.72Å; N1353-Q1392 PolarHBondContact N-O 2.73Å; N1353-Q1392 PolarHBondContact ND2-NE2 2.71Å; N1353-Q1392 VanDerWaalsContact ND2-NE2 3.19Å; N1353-Q1392 PolarHBondContact O-N 3Å; Q1392-G1400 WeakPolarHBondContact CB-O 3.46Å; Q1392-G1400 PolarHBondContact OE1-O 3.38Å; Q1392-Y1402 HydrophobicContact CB-CD1 3.81Å; Q1392-Y1402 HydrophobicContact CB-CE1 4.12Å; Q1392-Y1402 HydrophobicContact CB-CG 4.05Å; Q1392-Y1402 HydrophobicContact CG-CD1 3.86Å; Q1392-Y1402 HydrophobicContact CG-CE1 3.61Å; Q1392-Y1402 HydrophobicContact CG-CE2 4.49Å; Q1392-Y1402 HydrophobicContact CG-CG 4.4Å; Q1392-Y1402 VanDerWaalsContact NE2-CZ 3.34Å; Q1392-Y1402 PolarHBondContact NE2-OH 2.81Å
1393A92.4Very high88.7Confident0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-94.2160.5172.300000111.4P1319 P1322 P1342 V1349 S1351 Y1352 G1400P1319-A1393 HydrophobicContact CB-CB 4.08Å; P1319-A1393 HydrophobicContact CG-CB 3.59Å; P1322-A1393 HydrophobicContact CG-CB 4.21Å; P1342-A1393 HydrophobicContact CG-CB 3.59Å; V1349-A1393 HydrophobicContact CG1-CB 3.96Å; V1349-A1393 HydrophobicContact CG2-CB 4.28Å; S1351-A1393 CarbonylContact O-C 3.55Å; Y1352-A1393 HydrophobicContact CD1-CB 3.79Å; Y1352-A1393 HydrophobicContact CE1-CB 3.77Å; A1393-G1400 PolarHBondContact O-N 2.7Å
1394C91.7Very high88.9Confident26 Ų2645.4 Ų45.418%0.17625%0.247CC..EExtended strand (participates in β ladder)trans-133.8135.9174-165.80000110.2V1350 S1351 G1398 V1399V1350-C1394 PolarHBondContact N-O 3.19Å; S1351-C1394 PolarHBondContact N-O 3.14Å; S1351-C1394 PolarHBondContact O-N 3.12Å; C1394-G1398 WeakPolarHBondContact CA-O 3.39Å; C1394-G1398 PolarHBondContact SG-O 2.98Å; C1394-V1399 HydrophobicContact CB-CG1 4.08Å
1395N90.4Very high89.3Confident6 Ų643.9 Ų43.93%0.03225%0.247CC..EExtended strand (participates in β ladder)trans-125.3-172.5168.571.58.6000110.2G1317 P1319 D1344 R1347 P1348 C1397 G1398G1317-N1395 PolarHBondContact O-ND2 3.13Å; P1319-N1395 HydrophobicContact CG-CB 4.46Å; D1344-N1395 PolarHBondContact O-ND2 3.18Å; R1347-N1395 HydrophobicContact CB-CB 4.15Å; R1347-N1395 WeakPolarHBondContact O-CB 3.32Å; R1347-N1395 PolarHBondContact O-ND2 3Å; P1348-N1395 VanDerWaalsContact O-CB 3.22Å; P1348-N1395 WeakPolarHBondContact O-CB 3.16Å; N1395-C1397 PolarHBondContact O-N 3.07Å; N1395-C1397 WeakPolarHBondContact OD1-CA 3.27Å; N1395-C1397 WeakPolarHBondContact OD1-CB 3.36Å; N1395-C1397 PolarHBondContact OD1-N 2.79Å; N1395-G1398 PolarHBondContact N-O 2.92Å; N1395-G1398 PolarHBondContact O-N 2.99Å; N1395-G1398 PolarHBondContact OD1-N 2.59Å; N1395-G1398 PolarHBondContact OD1-O 3.43Å
1396E88.6Confident89.6Confident131 Ų13144.6 Ų44.661%0.61225%0.249SC*.THydrogen-bonded Turntrans-60.6-22.1178.4-61.9-175.9142.600114.2R1347R1347-E1396 HydrophobicContact CB-CB 4.39Å; R1347-E1396 WeakPolarHBondContact CD-OE2 3.19Å; R1347-E1396 HydrophobicContact CG-CB 4.37Å; R1347-E1396 IonicContact CZ-OE2 3.78Å; R1347-E1396 IonicContact NE-OE2 3.39Å; R1347-E1396 IonicContact NH1-OE2 2.69Å; R1347-E1396 PolarHBondContact NH1-OE2 2.85Å
1397C85.7Confident89.7Confident56 Ų5651.2 Ų51.238%0.37827%0.269SS..THydrogen-bonded Turntrans-87.1-8.4176.1-62.50000113.3N1395N1395-C1397 PolarHBondContact O-N 3.07Å; N1395-C1397 WeakPolarHBondContact OD1-CA 3.27Å; N1395-C1397 WeakPolarHBondContact OD1-CB 3.36Å; N1395-C1397 PolarHBondContact OD1-N 2.79Å
1398G86.3Confident89.6Confident25 Ų2551 Ų5126%0.25827%0.269SS..EExtended strand (participates in β ladder)trans125.7-164.8175.400000114.6P1319 C1394 N1395P1319-G1398 WeakPolarHBondContact CD-O 3.45Å; C1394-G1398 WeakPolarHBondContact CA-O 3.39Å; C1394-G1398 PolarHBondContact SG-O 2.98Å; N1395-G1398 PolarHBondContact N-O 2.92Å; N1395-G1398 PolarHBondContact O-N 2.99Å; N1395-G1398 PolarHBondContact OD1-N 2.59Å; N1395-G1398 PolarHBondContact OD1-O 3.43Å
1399V90.5Very high89.3Confident75 Ų7551.1 Ų51.146%0.45528%0.277SS..EExtended strand (participates in β ladder)trans-83.3132.8179.4-67.50000111.9P1318 N1353 C1394P1318-V1399 WeakPolarHBondContact CB-O 2.96Å; N1353-V1399 WeakPolarHBondContact ND2-CG1 3.28Å; C1394-V1399 HydrophobicContact CB-CG1 4.08Å
1400G88.4Confident89Confident4 Ų451.2 Ų51.24%0.04128%0.277CS..  trans-78.8174.3170.500000112.4P1319 Q1392 A1393P1319-G1400 WeakPolarHBondContact O-CA 3.44Å; Q1392-G1400 WeakPolarHBondContact CB-O 3.46Å; Q1392-G1400 PolarHBondContact OE1-O 3.38Å; A1393-G1400 PolarHBondContact O-N 2.7Å
1401P90Very high88.5Confident78 Ų7851.2 Ų51.251%0.50628%0.283SS..PPolyproline II helixtrans-69.7145.817727.3-31.6000112.2P1319 C1321P1319-P1401 WeakPolarHBondContact O-CD 3.12Å; C1321-P1401 WeakPolarHBondContact CA-O 3.16Å; C1321-P1401 HydrophobicContact CB-CG 4.04Å
1402Y91.5Very high87.4Confident72 Ų7251.9 Ų51.928%0.28229%0.288SS..PPolyproline II helixtrans-61.2138.2170.3-67.8-86.3000111.7E1355 R1390 V1391 Q1392E1355-Y1402 PolarHBondContact OE1-OH 3.16Å; R1390-Y1402 HydrophobicContact CB-CD1 3.84Å; R1390-Y1402 HydrophobicContact CB-CG 4.41Å; R1390-Y1402 HydrophobicContact CG-CD1 3.55Å; R1390-Y1402 HydrophobicContact CG-CE1 3.82Å; R1390-Y1402 HydrophobicContact CG-CG 4.29Å; V1391-Y1402 CarbonylContact O-C 3.53Å; V1391-Y1402 WeakPolarHBondContact O-CA 3.28Å; Q1392-Y1402 HydrophobicContact CB-CD1 3.81Å; Q1392-Y1402 HydrophobicContact CB-CE1 4.12Å; Q1392-Y1402 HydrophobicContact CB-CG 4.05Å; Q1392-Y1402 HydrophobicContact CG-CD1 3.86Å; Q1392-Y1402 HydrophobicContact CG-CE1 3.61Å; Q1392-Y1402 HydrophobicContact CG-CE2 4.49Å; Q1392-Y1402 HydrophobicContact CG-CG 4.4Å; Q1392-Y1402 VanDerWaalsContact NE2-CZ 3.34Å; Q1392-Y1402 PolarHBondContact NE2-OH 2.81Å
1403A89.1Confident86.5Confident7 Ų754 Ų546%0.05830%0.303CS..PPolyproline II helixtrans-57.8155.2161.300000111.3P1322 L1325 V1391P1322-A1403 HydrophobicContact CB-CB 4.5Å; P1322-A1403 WeakPolarHBondContact O-CB 3.3Å; L1325-A1403 HydrophobicContact CB-CB 4.47Å; L1325-A1403 HydrophobicContact CD2-CB 4.09Å; V1391-A1403 WeakPolarHBondContact O-CB 3.32Å; V1391-A1403 PolarHBondContact O-N 2.92Å
1404V86Confident85.6Confident129 Ų12958.5 Ų58.578%0.78233%0.332SS*.PPolyproline II helixtrans-57124.6-179.3179.60000109.9I1406V1404-I1406 PolarHBondContact O-N 3.39Å
1405P86.5Confident84.7Confident80 Ų8058.1 Ų58.152%0.51933%0.329SS..PPolyproline II helixtrans-68117.7-17125-34.2000111.9F1389 R1390F1389-P1405 CarbonylContact O-C 3.59Å; F1389-P1405 VanDerWaalsContact O-CA 3.26Å; F1389-P1405 WeakPolarHBondContact O-CA 3.2Å; R1390-P1405 HydrophobicContact CB-CB 4.26Å
1406I89.3Confident84.1Confident48 Ų4863.1 Ų63.125%0.24636%0.36CS..EExtended strand (participates in β ladder)trans-85.8147.6177.7-167.8165.3000110.7L1325 A1327 L1337 R1388 F1389 V1404L1325-I1406 HydrophobicContact CD2-CB 4.45Å; L1325-I1406 HydrophobicContact CD2-CG2 3.9Å; L1325-I1406 HydrophobicContact CG-CG2 4.07Å; A1327-I1406 HydrophobicContact CB-CD1 4.19Å; A1327-I1406 HydrophobicContact CB-CG1 4.4Å; A1327-I1406 HydrophobicContact CB-CG2 3.81Å; L1337-I1406 HydrophobicContact CD1-CG2 4.08Å; R1388-I1406 CarbonylContact C-O 3.55Å; R1388-I1406 WeakPolarHBondContact CA-O 3.32Å; F1389-I1406 HydrophobicContact CB-CG2 3.94Å; F1389-I1406 PolarHBondContact N-O 3.15Å; F1389-I1406 PolarHBondContact O-N 3.08Å; V1404-I1406 PolarHBondContact O-N 3.39Å
1407R88.9Confident83.7Confident171 Ų17158 Ų5865%0.64534%0.339SS*.EExtended strand (participates in β ladder)trans-108.3133.1173.6-73.1-175.3-175.2-164.81.1110.7Y1387 R1388Y1387-R1407 WeakPolarHBondContact O-CA 3.11Å; R1388-R1407 HydrophobicContact CG-CG 4.07Å
1408A86.6Confident83.7Confident8 Ų855.4 Ų55.47%0.06632%0.322CS..EExtended strand (participates in β ladder)trans-130.2170.2165.700000110.3A1327 I1335 S1386 Y1387 F1389A1327-A1408 HydrophobicContact CB-CB 3.98Å; I1335-A1408 HydrophobicContact CD1-CB 3.96Å; I1335-A1408 HydrophobicContact CG2-CB 4.13Å; S1386-A1408 WeakPolarHBondContact CA-O 3.13Å; S1386-A1408 PolarHBondContact OG-O 2.81Å; Y1387-A1408 PolarHBondContact N-O 3.1Å; Y1387-A1408 PolarHBondContact O-N 3.01Å; F1389-A1408 HydrophobicContact CE2-CB 4.07Å
1409V85.6Confident83.7Confident65 Ų6557.6 Ų57.639%0.39433%0.328SS..EExtended strand (participates in β ladder)trans-139.5130.1-179.2-168.80000107.7P1329 T1385P1329-V1409 WeakPolarHBondContact CB-O 3.46Å; T1385-V1409 WeakPolarHBondContact O-CA 3.29Å
1410T84.3Confident83.7Confident1 Ų154.5 Ų54.51%0.00631%0.309CS..PPolyproline II helixtrans-62.3157.5172.852.10000111.5I1335 L1381 L1382 P1383 E1384 T1385 Y1387I1335-T1410 HydrophobicContact CD1-CG2 4.03Å; I1335-T1410 HydrophobicContact CG1-CG2 4.29Å; L1381-T1410 HydrophobicContact CB-CG2 3.75Å; L1381-T1410 HydrophobicContact CD1-CG2 4.18Å; L1382-T1410 WeakPolarHBondContact O-CG2 3.4Å; L1382-T1410 PolarHBondContact O-OG1 3.48Å; P1383-T1410 VanDerWaalsContact C-OG1 3.29Å; P1383-T1410 WeakPolarHBondContact CA-OG1 3.38Å; E1384-T1410 PolarHBondContact N-OG1 3.37Å; T1385-T1410 PolarHBondContact N-OG1 3.14Å; T1385-T1410 PolarHBondContact O-N 3.07Å; T1385-T1410 PolarHBondContact O-OG1 2.95Å; Y1387-T1410 HydrophobicContact CD2-CG2 4.4Å; Y1387-T1410 HydrophobicContact CE2-CG2 4.09Å
1411L80Confident83.7Confident75 Ų7557.8 Ų57.839%0.39332%0.323SS..PPolyproline II helixtrans-65.5166.3-178.4-60.3178.9000113.7P1329 S1331 L1332 E1384P1329-L1411 HydrophobicContact CB-CD2 4.5Å; P1329-L1411 HydrophobicContact CG-CD2 4.48Å; S1331-L1411 WeakPolarHBondContact O-CG 3.04Å; S1331-L1411 PolarHBondContact O-N 3.15Å; L1332-L1411 HydrophobicContact CD2-CB 3.98Å; L1332-L1411 WeakPolarHBondContact CD2-O 3.13Å; E1384-L1411 PolarHBondContact N-O 2.91Å; E1384-L1411 VanDerWaalsContact N-O 3.15Å
1412S70.3Confident83.8Confident15 Ų1557.1 Ų57.111%0.10531%0.314CS..PPolyproline II helixtrans-100.8141.9-179.4-68.10000113.3E1384 N1492E1384-S1412 WeakPolarHBondContact OE1-CB 3.45Å; E1384-S1412 PolarHBondContact OE1-OG 2.77Å; S1412-N1492 VanDerWaalsContact OG-CB 3.25Å; S1412-N1492 WeakPolarHBondContact OG-CB 3.44Å
1413P73.7Confident83.6Confident63 Ų6356.1 Ų56.141%0.40932%0.321SS..PPolyproline II helixtrans-73155.7169.131.6-34000112.2
1414P74.1Confident83.6Confident93 Ų9358.2 Ų58.260%0.60434%0.336SS*.PPolyproline II helixtrans-67.6151-178.9-23.535.2000115G1493P1414-G1493 WeakPolarHBondContact CA-O 3.41Å
1415P74Confident83.7Confident19 Ų1954.3 Ų54.312%0.12332%0.317CS..PPolyproline II helixtrans-66.4139.1178.5-2133.2000114.4A1488 G1494 G1496P1415-A1488 HydrophobicContact CB-CB 4.12Å; P1415-G1494 WeakPolarHBondContact CD-O 3.33Å; P1415-G1496 WeakPolarHBondContact O-CA 3.46Å
1416V76.9Confident83.6Confident110 Ų11051 Ų5167%0.66730%0.297SS*.PPolyproline II helixtrans-74.5145.1169.9-177.60000110.3
1417A81.1Confident83.5Confident23 Ų2351.4 Ų51.419%0.1930%0.298CS..PPolyproline II helixtrans-61.1132.617600000111.6A1497A1417-A1497 HydrophobicContact CB-CB 4.43Å; A1417-A1497 WeakPolarHBondContact CB-O 3.34Å
1418P84.4Confident83.5Confident2 Ų246.7 Ų46.71%0.01329%0.285CS..PPolyproline II helixtrans-85.1148.3-179.432.8-32.3000112.3W1434 Y1449 V1486P1418-W1434 HydrophobicContact CB-CB 4.5Å; P1418-Y1449 HydrophobicContact CB-CE1 4.09Å; P1418-Y1449 HydrophobicContact CG-CD1 4Å; P1418-Y1449 HydrophobicContact CG-CE1 3.98Å; P1418-V1486 HydrophobicContact CG-CB 4.45Å; P1418-V1486 HydrophobicContact CG-CG1 3.91Å; P1418-V1486 HydrophobicContact CG-CG2 3.83Å; P1418-V1486 WeakPolarHBondContact O-CG1 3.24Å
1419L86.7Confident83.8Confident72 Ų7248.4 Ų48.438%0.37729%0.291SS..EExtended strand (participates in β ladder)trans-72.3134.5177.8-179.162.8000110.9W1434 S1435L1419-W1434 CarbonylContact O-C 3.41Å; L1419-W1434 WeakPolarHBondContact O-CA 3.48Å; L1419-W1434 WeakPolarHBondContact O-CB 3.04Å; L1419-S1435 PolarHBondContact N-O 2.87Å; L1419-S1435 PolarHBondContact O-N 3.02Å; L1419-S1435 VanDerWaalsContact O-N 3.1Å
1420L90.3Very high84.2Confident10 Ų1045.3 Ų45.35%0.05227%0.273CS..EExtended strand (participates in β ladder)trans-108126.4-177.6-170.459.4000112.5L1432 W1434 F1484 V1486 V1502 F1504L1420-L1432 HydrophobicContact CD1-CB 4.34Å; L1420-W1434 HydrophobicContact CD1-CB 4.35Å; L1420-W1434 HydrophobicContact CD1-CE3 3.91Å; L1420-F1484 HydrophobicContact CD2-CB 3.76Å; L1420-V1486 HydrophobicContact CB-CG1 3.86Å; L1420-V1486 HydrophobicContact CD1-CB 4.38Å; L1420-V1486 HydrophobicContact CD1-CG1 4.07Å; L1420-V1486 HydrophobicContact CD2-CG1 4.25Å; L1420-V1486 HydrophobicContact CG-CG1 4.28Å; L1420-V1502 HydrophobicContact CB-CG2 4.29Å; L1420-F1504 HydrophobicContact CG-CE2 4.29Å
1421E89.3Confident84.6Confident73 Ų7349.4 Ų49.434%0.34129%0.29SS..EExtended strand (participates in β ladder)trans-128.9154.4-174.8-61.1179.7146.600112.3L1432 K1433E1421-L1432 WeakPolarHBondContact O-CA 3.18Å; E1421-K1433 PolarHBondContact N-O 3.33Å; E1421-K1433 PolarHBondContact O-N 2.95Å; E1421-K1433 IonicContact OE2-NZ 2.74Å; E1421-K1433 PolarHBondContact OE2-NZ 2.97Å
1422L91.7Very high85.3Confident63 Ų6345.9 Ų45.933%0.3327%0.272SS..EExtended strand (participates in β ladder)trans-93.9112.6168.9-179.865.8000110.6A1425 L1430 L1432 F1504L1422-A1425 HydrophobicContact CD2-CB 4.38Å; L1422-L1430 HydrophobicContact CD1-CB 4.06Å; L1422-L1430 HydrophobicContact CD1-CD2 3.73Å; L1422-L1430 HydrophobicContact CD1-CG 4.44Å; L1422-L1430 HydrophobicContact CD2-CD2 4.45Å; L1422-L1432 HydrophobicContact CD1-CD2 4.22Å; L1422-F1504 HydrophobicContact CB-CD1 3.64Å; L1422-F1504 HydrophobicContact CB-CD2 4.41Å; L1422-F1504 HydrophobicContact CB-CE1 3.67Å; L1422-F1504 HydrophobicContact CB-CE2 4.45Å; L1422-F1504 HydrophobicContact CB-CG 4.03Å; L1422-F1504 HydrophobicContact CB-CZ 4.09Å; L1422-F1504 HydrophobicContact CD1-CB 4.38Å; L1422-F1504 HydrophobicContact CD1-CG 4.36Å; L1422-F1504 HydrophobicContact CD2-CB 4.22Å; L1422-F1504 HydrophobicContact CD2-CD1 4.1Å; L1422-F1504 HydrophobicContact CD2-CG 4.32Å; L1422-F1504 HydrophobicContact CG-CD1 4.37Å; L1422-F1504 HydrophobicContact CG-CG 4.47Å
1423A87.9Confident86.3Confident52 Ų5249.2 Ų49.243%0.4328%0.284SS..EExtended strand (participates in β ladder)trans-85.9-28.1178.900000113.9K1431 K1433A1423-K1431 WeakPolarHBondContact CA-O 3.32Å; A1423-K1431 HydrophobicContact CB-CB 4.48Å; A1423-K1431 HydrophobicContact CB-CD 4.21Å; A1423-K1431 HydrophobicContact CB-CG 4.25Å; A1423-K1431 WeakPolarHBondContact CB-O 3.44Å; A1423-K1431 PolarHBondContact N-O 2.87Å; A1423-K1433 HydrophobicContact CB-CB 3.96Å
1424S88.9Confident87.2Confident51 Ų5146.3 Ų46.336%0.35727%0.265SS..EExtended strand (participates in β ladder)trans-168.6146.716557.80000112.8K1431S1424-K1431 PolarHBondContact N-O 2.9Å; S1424-K1431 PolarHBondContact O-N 2.74Å; S1424-K1431 WeakPolarHBondContact OG-CB 3.49Å
1425A87.7Confident87.5Confident46 Ų4643.7 Ų43.738%0.3825%0.249SC..EExtended strand (participates in β ladder)trans-105.9141.1168.500000110.9L1422 L1430 C1505L1422-A1425 HydrophobicContact CD2-CB 4.38Å; A1425-L1430 HydrophobicContact CB-CD2 3.82Å; A1425-C1505 WeakPolarHBondContact CB-O 3.33Å
1426G84.5Confident87.2Confident10 Ų1044.3 Ų44.310%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-124.5174.4165.100000110.4N1428 F1429 T1506 G1507G1426-N1428 PolarHBondContact O-N 2.87Å; G1426-F1429 PolarHBondContact N-O 3.12Å; G1426-T1506 WeakPolarHBondContact O-CB 3.27Å; G1426-G1507 PolarHBondContact O-N 2.99Å
1427H86.2Confident86.5Confident58 Ų5845.1 Ų45.127%0.26925%0.248SC..THydrogen-bonded Turntrans-60.6-24.2179.159.9-93.8000114E1478 T1509H1427-E1478 HydrophobicContact CB-CG 3.9Å; H1427-E1478 WeakPolarHBondContact CB-OE1 3.4Å; H1427-E1478 WeakPolarHBondContact O-CA 3.35Å; H1427-E1478 WeakPolarHBondContact O-CB 3.42Å; H1427-E1478 PolarHBondContact O-N 3.3Å; H1427-T1509 VanDerWaalsContact CB-OG1 3.29Å; H1427-T1509 WeakPolarHBondContact CB-OG1 3.41Å; H1427-T1509 VanDerWaalsContact CG-OG1 3.29Å
1428N90Very high85.2Confident72 Ų7254.7 Ų54.739%0.38528%0.279SS..THydrogen-bonded Turntrans-13317.4-179.464.49.1000114.7G1426 P1474 R1475 L1476G1426-N1428 PolarHBondContact O-N 2.87Å; N1428-P1474 CarbonylContact O-C 3.21Å; N1428-R1475 PolarHBondContact O-N 3.42Å; N1428-L1476 VanDerWaalsContact CA-O 3.27Å; N1428-L1476 WeakPolarHBondContact CA-O 3.2Å; N1428-L1476 PolarHBondContact O-N 3.05Å; N1428-L1476 VanDerWaalsContact O-N 3.14Å
1429F92.6Very high83.2Confident44 Ų4466.5 Ų66.519%0.19332%0.323CS..EExtended strand (participates in β ladder)trans-154.8157.7178.871-100000113.7G1426 K1472 V1473G1426-F1429 PolarHBondContact N-O 3.12Å; F1429-K1472 VanDerWaalsContact CB-CE 3.46Å; F1429-K1472 HydrophobicContact CB-CG 4.3Å; F1429-K1472 VanDerWaalsContact CD1-CE 3.45Å; F1429-K1472 HydrophobicContact CD2-CD 4.34Å; F1429-K1472 HydrophobicContact CD2-CG 4.21Å; F1429-K1472 HydrophobicContact CG-CD 4.4Å; F1429-K1472 HydrophobicContact CG-CG 4.45Å; F1429-V1473 VanDerWaalsContact CA-O 3.23Å; F1429-V1473 WeakPolarHBondContact CA-O 3.37Å; F1429-V1473 WeakPolarHBondContact CB-O 3.14Å
1430L93.8Very high80.9Confident0 Ų066 Ų660%033%0.326CS..EExtended strand (participates in β ladder)trans-122.3135.6163.5-64.6171.4000108.3L1422 A1425 L1432 V1473 L1476 Y1482 F1484 F1504 C1505 T1506L1422-L1430 HydrophobicContact CD1-CB 4.06Å; L1422-L1430 HydrophobicContact CD1-CD2 3.73Å; L1422-L1430 HydrophobicContact CD1-CG 4.44Å; L1422-L1430 HydrophobicContact CD2-CD2 4.45Å; A1425-L1430 HydrophobicContact CB-CD2 3.82Å; L1430-L1432 HydrophobicContact CB-CD2 4.28Å; L1430-V1473 PolarHBondContact N-O 2.94Å; L1430-V1473 PolarHBondContact O-N 2.88Å; L1430-L1476 HydrophobicContact CB-CD1 3.87Å; L1430-L1476 HydrophobicContact CD1-CD1 3.68Å; L1430-L1476 HydrophobicContact CG-CD1 3.56Å; L1430-Y1482 HydrophobicContact CD1-CD2 4.33Å; L1430-F1484 HydrophobicContact CD1-CE2 3.66Å; L1430-F1484 HydrophobicContact CD1-CZ 3.98Å; L1430-F1504 HydrophobicContact CD1-CB 3.85Å; L1430-F1504 HydrophobicContact CD2-CB 4.38Å; L1430-C1505 WeakPolarHBondContact CD2-O 3.39Å; L1430-T1506 HydrophobicContact CD2-CG2 4.19Å; L1430-T1506 HydrophobicContact CG-CG2 4.07Å
1431K92.8Very high78.4Confident87 Ų8772.5 Ų72.538%0.37837%0.366SS..EExtended strand (participates in β ladder)trans-103.9109.7171.2-170.7-172.7177.8-1720108A1423 S1424 C1471A1423-K1431 WeakPolarHBondContact CA-O 3.32Å; A1423-K1431 HydrophobicContact CB-CB 4.48Å; A1423-K1431 HydrophobicContact CB-CD 4.21Å; A1423-K1431 HydrophobicContact CB-CG 4.25Å; A1423-K1431 WeakPolarHBondContact CB-O 3.44Å; A1423-K1431 PolarHBondContact N-O 2.87Å; S1424-K1431 PolarHBondContact N-O 2.9Å; S1424-K1431 PolarHBondContact O-N 2.74Å; S1424-K1431 WeakPolarHBondContact OG-CB 3.49Å; K1431-C1471 CarbonylContact C-O 3.59Å; K1431-C1471 WeakPolarHBondContact CA-O 3.38Å; K1431-C1471 WeakPolarHBondContact CG-O 3.39Å
1432L93.5Very high76Confident0 Ų072.5 Ų72.50%038%0.378CS..EExtended strand (participates in β ladder)trans-92.1147.1179.5-50.7-178.6000109.7L1420 E1421 L1422 L1430 W1434 V1451 S1470 C1471 V1473 F1484 F1504L1420-L1432 HydrophobicContact CD1-CB 4.34Å; E1421-L1432 WeakPolarHBondContact O-CA 3.18Å; L1422-L1432 HydrophobicContact CD1-CD2 4.22Å; L1430-L1432 HydrophobicContact CB-CD2 4.28Å; L1432-W1434 HydrophobicContact CB-CZ3 4.17Å; L1432-V1451 HydrophobicContact CD1-CG1 4.2Å; L1432-S1470 CarbonylContact O-C 3.53Å; L1432-S1470 WeakPolarHBondContact O-CA 3.48Å; L1432-S1470 WeakPolarHBondContact O-CB 3.44Å; L1432-C1471 PolarHBondContact N-O 2.86Å; L1432-C1471 PolarHBondContact O-N 2.67Å; L1432-C1471 VanDerWaalsContact O-O 3.08Å; L1432-V1473 HydrophobicContact CD1-CG2 3.98Å; L1432-V1473 HydrophobicContact CG-CG2 4.31Å; L1432-F1484 HydrophobicContact CD1-CB 4.12Å; L1432-F1484 HydrophobicContact CD1-CD1 3.56Å; L1432-F1484 HydrophobicContact CD1-CD2 4.07Å; L1432-F1484 HydrophobicContact CD1-CE1 3.89Å; L1432-F1484 HydrophobicContact CD1-CE2 4.36Å; L1432-F1484 HydrophobicContact CD1-CG 3.65Å; L1432-F1484 HydrophobicContact CD1-CZ 4.28Å; L1432-F1484 HydrophobicContact CD2-CD2 4.32Å; L1432-F1484 HydrophobicContact CD2-CE2 4.38Å; L1432-F1504 HydrophobicContact CD2-CD2 3.51Å; L1432-F1504 HydrophobicContact CD2-CE2 3.73Å
1433K92.6Very high73.8Confident85 Ų8577.3 Ų77.337%0.3741%0.405SS..EExtended strand (participates in β ladder)trans-134.2150.9175.4168.2176.9167.3-91.20108E1421 A1423E1421-K1433 PolarHBondContact N-O 3.33Å; E1421-K1433 PolarHBondContact O-N 2.95Å; E1421-K1433 IonicContact OE2-NZ 2.74Å; E1421-K1433 PolarHBondContact OE2-NZ 2.97Å; A1423-K1433 HydrophobicContact CB-CB 3.96Å
1434W91.4Very high72Confident2 Ų277.3 Ų77.31%0.00840%0.398CS..EExtended strand (participates in β ladder)trans-140.2161.9172.147.997.3000112.2P1418 L1419 L1420 L1432 Y1449 V1451 Y1464 A1468 K1469 S1470 C1471 V1486P1418-W1434 HydrophobicContact CB-CB 4.5Å; L1419-W1434 CarbonylContact O-C 3.41Å; L1419-W1434 WeakPolarHBondContact O-CA 3.48Å; L1419-W1434 WeakPolarHBondContact O-CB 3.04Å; L1420-W1434 HydrophobicContact CD1-CB 4.35Å; L1420-W1434 HydrophobicContact CD1-CE3 3.91Å; L1432-W1434 HydrophobicContact CB-CZ3 4.17Å; W1434-Y1449 AromaticContact CD1-CD1 3.51Å; W1434-Y1449 AromaticContact CD1-CE1 3.68Å; W1434-Y1449 AromaticContact CD1-CG 3.81Å; W1434-Y1449 AromaticContact NE1-CD1 3.32Å; W1434-Y1449 VanDerWaalsContact NE1-CD1 3.32Å; W1434-Y1449 AromaticContact NE1-CD2 3.5Å; W1434-Y1449 AromaticContact NE1-CE1 3.86Å; W1434-Y1449 AromaticContact NE1-CG 3.11Å; W1434-V1451 HydrophobicContact CD2-CG2 4.45Å; W1434-V1451 HydrophobicContact CE3-CG2 4.09Å; W1434-V1451 HydrophobicContact CH2-CG2 3.48Å; W1434-V1451 VanDerWaalsContact CH2-CG2 3.48Å; W1434-V1451 HydrophobicContact CZ2-CG2 3.86Å; W1434-V1451 HydrophobicContact CZ3-CG2 3.62Å; W1434-Y1464 AromaticContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CE1 4.02Å; W1434-Y1464 HydrophobicContact CH2-CG 4.02Å; W1434-Y1464 AromaticContact CZ2-CD1 3.52Å; W1434-Y1464 HydrophobicContact CZ2-CD1 3.52Å; W1434-Y1464 AromaticContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CG 4.43Å; W1434-A1468 WeakPolarHBondContact CZ2-O 3.37Å; W1434-K1469 PolarHBondContact N-O 3.11Å; W1434-S1470 VanDerWaalsContact CH2-C 3.45Å; W1434-C1471 HydrophobicContact CH2-CB 3.84Å; W1434-C1471 HydrophobicContact CZ3-CB 4.16Å; W1434-V1486 HydrophobicContact CD2-CG2 4.27Å; W1434-V1486 HydrophobicContact CG-CG2 4.18Å
1435S81.4Confident70.3Confident39 Ų3978.7 Ų78.727%0.27342%0.419SS..EExtended strand (participates in β ladder)trans-150.7145.9178.9500000111.1L1419L1419-S1435 PolarHBondContact N-O 2.87Å; L1419-S1435 PolarHBondContact O-N 3.02Å; L1419-S1435 VanDerWaalsContact O-N 3.1Å
1436D68.6Low69.2Low31 Ų3178.8 Ų78.817%0.16643%0.425CS..  trans-75.3143.6178.7-46-42.8000109.7R1438 R1447 Y1449 K1469D1436-R1438 PolarHBondContact O-N 2.8Å; D1436-R1447 IonicContact OD2-NH1 2.78Å; D1436-R1447 PolarHBondContact OD2-NH1 2.84Å; D1436-Y1449 VanDerWaalsContact CG-OH 3.24Å; D1436-Y1449 WeakPolarHBondContact OD1-CE1 3.48Å; D1436-Y1449 PolarHBondContact OD1-OH 2.98Å; D1436-Y1449 PolarHBondContact OD2-OH 2.77Å; D1436-K1469 IonicContact OD2-NZ 2.6Å; D1436-K1469 PolarHBondContact OD2-NZ 2.83Å
1437H60.4Low68.9Low127 Ų12782 Ų8259%0.58843%0.434SS*.SBendtrans-70.212.4-168.9-99.5-71.3000116.4
1438R53.8Low68.8Low225 Ų22581.9 Ų81.985%0.84944%0.438SS*.SBendtrans-138149.8171.5-73.2-171.2175.1-163.4-0.2110.4D1436 S1440D1436-R1438 PolarHBondContact O-N 2.8Å; R1438-S1440 PolarHBondContact O-N 2.84Å
1439R44.1Very low68.8Low249 Ų24978.5 Ų78.594%0.9442%0.42SS*.  trans-70.579.5165.5-64.4-177-171.2173.84109.5
1440S38.1Very low68.8Low61 Ų6177.8 Ų77.843%0.42742%0.417SS..  trans-69.5133.4165.3-172.50000109.1R1438R1438-S1440 PolarHBondContact O-N 2.84Å
1441T37.6Very low68.7Low147 Ų14777.9 Ų77.990%0.90242%0.417SS*.  trans-111.211.1177.352.90000112.5
1442A39.2Very low68.7Low73 Ų7375.2 Ų75.260%0.60341%0.406SS*.SBendtrans-99.1157.817600000111.5D1444A1442-D1444 PolarHBondContact O-N 3.4Å; A1442-D1444 VanDerWaalsContact O-N 3.11Å
1443D45.1Very low68.7Low165 Ų16576.9 Ų76.988%0.88241%0.414SS*.  trans-71.7101.1-171.9-157.31.3000111.6G1445D1443-G1445 PolarHBondContact O-N 2.8Å
1444D49Very low68.6Low52 Ų5276.4 Ų76.428%0.27841%0.413SS..  trans-68.621.8-172.1-96.4-28.3000114.6A1442 G1446 R1447 K1469A1442-D1444 PolarHBondContact O-N 3.4Å; A1442-D1444 VanDerWaalsContact O-N 3.11Å; D1444-G1446 PolarHBondContact O-N 2.66Å; D1444-R1447 PolarHBondContact O-N 2.73Å; D1444-R1447 IonicContact OD1-CZ 2.67Å; D1444-R1447 IonicContact OD1-NE 3.24Å; D1444-R1447 IonicContact OD1-NH1 3.7Å; D1444-R1447 PolarHBondContact OD1-NH1 2.79Å; D1444-R1447 IonicContact OD1-NH2 2.79Å; D1444-R1447 IonicContact OD2-NH1 2.67Å; D1444-K1469 IonicContact OD2-NZ 2.72Å; D1444-K1469 PolarHBondContact OD2-NZ 3.38Å
1445G53.3Low68.2Low79 Ų7979.5 Ų79.581%0.81443%0.43SS*.THydrogen-bonded Turntrans-65.418.7-165.800000118.2D1443D1443-G1445 PolarHBondContact O-N 2.8Å
1446G66.1Low67.9Low49 Ų4989.6 Ų89.651%0.50546%0.462SS..THydrogen-bonded Turntrans-141.46.1-177.800000116.2D1444D1444-G1446 PolarHBondContact O-N 2.66Å
1447R77Confident68.4Low76 Ų7696 Ų9629%0.28750%0.495SS..EExtended strand (participates in β ladder)trans-90.5132.2-179.7-69.8-177.1176149.610.7112.8D1436 D1444 Y1449 S1489D1436-R1447 IonicContact OD2-NH1 2.78Å; D1436-R1447 PolarHBondContact OD2-NH1 2.84Å; D1444-R1447 PolarHBondContact O-N 2.73Å; D1444-R1447 IonicContact OD1-CZ 2.67Å; D1444-R1447 IonicContact OD1-NE 3.24Å; D1444-R1447 IonicContact OD1-NH1 3.7Å; D1444-R1447 PolarHBondContact OD1-NH1 2.79Å; D1444-R1447 IonicContact OD1-NH2 2.79Å; D1444-R1447 IonicContact OD2-NH1 2.67Å; R1447-Y1449 HydrophobicContact CB-CE2 4.38Å; R1447-S1489 WeakPolarHBondContact CA-O 3.36Å
1448T85Confident69.3Low57 Ų5791.9 Ų91.935%0.3549%0.488SS..EExtended strand (participates in β ladder)trans-108.2136.3166.851.90000110.9A1488 S1489T1448-A1488 CarbonylContact O-C 3.56Å; T1448-A1488 WeakPolarHBondContact O-CA 3.3Å; T1448-S1489 PolarHBondContact N-O 2.96Å; T1448-S1489 VanDerWaalsContact N-O 3.16Å; T1448-S1489 PolarHBondContact O-N 2.85Å
1449Y90Very high70.6Confident1 Ų182.6 Ų82.60%0.00446%0.462CS..EExtended strand (participates in β ladder)trans-109.4142.9178.7-63.2-82.6000110.9P1418 W1434 D1436 R1447 E1465 G1466 K1469 R1487 A1488P1418-Y1449 HydrophobicContact CB-CE1 4.09Å; P1418-Y1449 HydrophobicContact CG-CD1 4Å; P1418-Y1449 HydrophobicContact CG-CE1 3.98Å; W1434-Y1449 AromaticContact CD1-CD1 3.51Å; W1434-Y1449 AromaticContact CD1-CE1 3.68Å; W1434-Y1449 AromaticContact CD1-CG 3.81Å; W1434-Y1449 AromaticContact NE1-CD1 3.32Å; W1434-Y1449 VanDerWaalsContact NE1-CD1 3.32Å; W1434-Y1449 AromaticContact NE1-CD2 3.5Å; W1434-Y1449 AromaticContact NE1-CE1 3.86Å; W1434-Y1449 AromaticContact NE1-CG 3.11Å; D1436-Y1449 VanDerWaalsContact CG-OH 3.24Å; D1436-Y1449 WeakPolarHBondContact OD1-CE1 3.48Å; D1436-Y1449 PolarHBondContact OD1-OH 2.98Å; D1436-Y1449 PolarHBondContact OD2-OH 2.77Å; R1447-Y1449 HydrophobicContact CB-CE2 4.38Å; Y1449-E1465 WeakPolarHBondContact O-CA 3.31Å; Y1449-G1466 PolarHBondContact N-O 2.92Å; Y1449-G1466 PolarHBondContact O-N 2.85Å; Y1449-K1469 HydrophobicContact CE2-CD 4.21Å; Y1449-K1469 HydrophobicContact CE2-CG 3.79Å; Y1449-K1469 WeakPolarHBondContact OH-CE 3.01Å; Y1449-K1469 PolarHBondContact OH-NZ 2.81Å; Y1449-K1469 VanDerWaalsContact OH-NZ 3.16Å; Y1449-R1487 VanDerWaalsContact CA-O 3.31Å; Y1449-R1487 WeakPolarHBondContact CA-O 3.43Å; Y1449-A1488 HydrophobicContact CD1-CB 3.88Å; Y1449-A1488 HydrophobicContact CE1-CB 3.83Å
1450F91.1Very high72.7Confident29 Ų2973.4 Ų73.413%0.12743%0.429CS..EExtended strand (participates in β ladder)trans-124.3127176.9-55.3-102.8000108Y1464 E1465 V1486 R1487 W1498F1450-Y1464 CarbonylContact C-O 3.43Å; F1450-Y1464 WeakPolarHBondContact CA-O 3.31Å; F1450-E1465 HydrophobicContact CD1-CB 4.4Å; F1450-E1465 HydrophobicContact CD1-CG 3.77Å; F1450-E1465 VanDerWaalsContact CE1-CD 3.44Å; F1450-E1465 HydrophobicContact CE1-CG 3.7Å; F1450-E1465 WeakPolarHBondContact CE1-OE1 3.28Å; F1450-E1465 HydrophobicContact CZ-CG 4.48Å; F1450-V1486 CarbonylContact O-C 3.53Å; F1450-V1486 WeakPolarHBondContact O-CA 3.4Å; F1450-V1486 WeakPolarHBondContact O-CG2 3.25Å; F1450-R1487 HydrophobicContact CB-CG 3.9Å; F1450-R1487 HydrophobicContact CD2-CG 4.01Å; F1450-R1487 HydrophobicContact CG-CG 4.31Å; F1450-R1487 PolarHBondContact N-O 2.65Å; F1450-R1487 PolarHBondContact O-N 3.15Å; F1450-W1498 HydrophobicContact CB-CH2 4.06Å; F1450-W1498 HydrophobicContact CB-CZ3 4.33Å; F1450-W1498 WeakPolarHBondContact O-CZ3 3.45Å
1451V92.3Very high75Confident1 Ų172.5 Ų72.51%0.00642%0.423CS..EExtended strand (participates in β ladder)trans-120.4131.8175.1-170.20000109.3L1432 W1434 V1463 Y1464 R1485 V1486L1432-V1451 HydrophobicContact CD1-CG1 4.2Å; W1434-V1451 HydrophobicContact CD2-CG2 4.45Å; W1434-V1451 HydrophobicContact CE3-CG2 4.09Å; W1434-V1451 HydrophobicContact CH2-CG2 3.48Å; W1434-V1451 VanDerWaalsContact CH2-CG2 3.48Å; W1434-V1451 HydrophobicContact CZ2-CG2 3.86Å; W1434-V1451 HydrophobicContact CZ3-CG2 3.62Å; V1451-V1463 HydrophobicContact CB-CG2 4.2Å; V1451-V1463 HydrophobicContact CG1-CG2 3.93Å; V1451-V1463 WeakPolarHBondContact O-CG2 3.34Å; V1451-V1463 PolarHBondContact O-N 3Å; V1451-Y1464 HydrophobicContact CG2-CD1 4.24Å; V1451-Y1464 PolarHBondContact N-O 2.94Å; V1451-Y1464 PolarHBondContact O-N 2.86Å; V1451-Y1464 VanDerWaalsContact O-N 3.12Å; V1451-R1485 CarbonylContact C-O 3.57Å; V1451-R1485 VanDerWaalsContact CA-O 3.31Å; V1451-R1485 WeakPolarHBondContact CA-O 3.23Å; V1451-R1485 WeakPolarHBondContact CG1-O 3.33Å; V1451-V1486 HydrophobicContact CG2-CB 4.12Å; V1451-V1486 HydrophobicContact CG2-CG2 3.8Å
1452E93.4Very high77.4Confident32 Ų3270.4 Ų70.415%0.1541%0.412CS..EExtended strand (participates in β ladder)trans-117.9150.5174.7-62.8173.6163.400111.2H1460 S1461 F1484 R1485 W1498E1452-H1460 HydrophobicContact CB-CB 3.91Å; E1452-H1460 VanDerWaalsContact OE2-CB 3.26Å; E1452-H1460 WeakPolarHBondContact OE2-CB 3.24Å; E1452-S1461 CarbonylContact C-O 3.51Å; E1452-S1461 WeakPolarHBondContact CA-O 3.43Å; E1452-S1461 WeakPolarHBondContact CB-O 3.16Å; E1452-F1484 CarbonylContact O-C 3.59Å; E1452-F1484 WeakPolarHBondContact O-CA 3.44Å; E1452-R1485 HydrophobicContact CB-CG 4.21Å; E1452-R1485 PolarHBondContact N-O 2.86Å; E1452-R1485 PolarHBondContact O-N 3.34Å; E1452-R1485 IonicContact OE2-CZ 3.24Å; E1452-R1485 IonicContact OE2-NE 3.02Å; E1452-R1485 PolarHBondContact OE2-NE 3.42Å; E1452-R1485 IonicContact OE2-NH2 2.81Å; E1452-R1485 PolarHBondContact OE2-NH2 2.88Å; E1452-W1498 HydrophobicContact CG-CH2 3.56Å; E1452-W1498 HydrophobicContact CG-CZ2 4.36Å; E1452-W1498 HydrophobicContact CG-CZ3 4.01Å; E1452-W1498 WeakPolarHBondContact OE1-CH2 3.48Å; E1452-W1498 WeakPolarHBondContact OE1-CZ2 3.34Å
1453M92.9Very high79.7Confident35 Ų3569.1 Ų69.117%0.17240%0.397CS..EExtended strand (participates in β ladder)trans-112.6139.9174.4-175.8178.868.500109.5H1460 S1461 V1463 V1473 L1476 Y1482 T1483 F1484M1453-H1460 CarbonylContact O-C 3.57Å; M1453-H1460 WeakPolarHBondContact O-CA 3.45Å; M1453-S1461 PolarHBondContact N-O 2.93Å; M1453-S1461 PolarHBondContact O-N 3.28Å; M1453-S1461 PolarHBondContact O-OG 2.91Å; M1453-V1463 HydrophobicContact CB-CB 4.44Å; M1453-V1463 HydrophobicContact CB-CG1 3.49Å; M1453-V1463 VanDerWaalsContact CB-CG1 3.49Å; M1453-V1463 HydrophobicContact CB-CG2 4.09Å; M1453-V1463 HydrophobicContact CE-CG1 4.18Å; M1453-V1463 HydrophobicContact SD-CG1 4.34Å; M1453-V1473 HydrophobicContact SD-CG1 4.4Å; M1453-L1476 HydrophobicContact SD-CD2 4.15Å; M1453-Y1482 HydrophobicContact SD-CD1 3.77Å; M1453-Y1482 HydrophobicContact SD-CE1 4.41Å; M1453-Y1482 HydrophobicContact SD-CG 4.44Å; M1453-T1483 CarbonylContact C-O 3.38Å; M1453-T1483 WeakPolarHBondContact CA-O 3.44Å; M1453-F1484 HydrophobicContact CB-CD1 3.64Å; M1453-F1484 HydrophobicContact CB-CE1 3.58Å; M1453-F1484 HydrophobicContact CG-CD1 3.82Å; M1453-F1484 HydrophobicContact CG-CE1 3.41Å; M1453-F1484 VanDerWaalsContact CG-CE1 3.41Å; M1453-F1484 HydrophobicContact CG-CZ 3.94Å; M1453-F1484 HydrophobicContact SD-CE1 3.62Å; M1453-F1484 HydrophobicContact SD-CZ 3.87Å
1454E91.4Very high82Confident75 Ų7563.9 Ų63.935%0.3537%0.365SS..EExtended strand (participates in β ladder)trans-71.5135174-170.2-179.3-168.200111.5T1483E1454-T1483 PolarHBondContact N-O 3.43Å; E1454-T1483 WeakPolarHBondContact OE2-CB 2.85Å; E1454-T1483 PolarHBondContact OE2-OG1 3.09Å
1455N82.3Confident84Confident67 Ų6767.9 Ų67.936%0.35838%0.382SS..  trans-96.7171.4176.578.331000111.8L1457 G1458 G1459N1455-L1457 PolarHBondContact O-N 3.45Å; N1455-L1457 WeakPolarHBondContact OD1-CA 3.22Å; N1455-L1457 WeakPolarHBondContact OD1-CB 3.31Å; N1455-L1457 PolarHBondContact OD1-N 3.41Å; N1455-G1458 PolarHBondContact O-N 2.9Å; N1455-G1458 PolarHBondContact OD1-N 3.08Å; N1455-G1459 VanDerWaalsContact CB-O 3.31Å; N1455-G1459 WeakPolarHBondContact CB-O 3.2Å; N1455-G1459 PolarHBondContact N-O 3.46Å; N1455-G1459 PolarHBondContact ND2-O 3.25Å; N1455-G1459 PolarHBondContact OD1-N 3.09Å; N1455-G1459 VanDerWaalsContact OD1-N 3.07Å; N1455-G1459 PolarHBondContact OD1-O 2.98Å
1456R76.2Confident85.6Confident251 Ų25164.6 Ų64.695%0.94735%0.348SS*.THydrogen-bonded Turntrans-64.3-2.2-178-67.2-174.6178-179.5-0.9115.6
1457L78.8Confident86.7Confident164 Ų16466.9 Ų66.986%0.85935%0.354SS*.THydrogen-bonded Turntrans-113.411177.1-55.2172.9000111.9N1455 G1459N1455-L1457 PolarHBondContact O-N 3.45Å; N1455-L1457 WeakPolarHBondContact OD1-CA 3.22Å; N1455-L1457 WeakPolarHBondContact OD1-CB 3.31Å; N1455-L1457 PolarHBondContact OD1-N 3.41Å; L1457-G1459 PolarHBondContact O-N 2.82Å
1458G78.6Confident87.1Confident42 Ų4265.4 Ų65.443%0.43336%0.358SS..SBendtrans74.94.3-175.900000114.5N1455N1455-G1458 PolarHBondContact O-N 2.9Å; N1455-G1458 PolarHBondContact OD1-N 3.08Å
1459G81.8Confident87.2Confident29 Ų2966.3 Ų66.330%0.29936%0.357SS..  trans-84.5132.8176.500000111.5N1455 L1457N1455-G1459 VanDerWaalsContact CB-O 3.31Å; N1455-G1459 WeakPolarHBondContact CB-O 3.2Å; N1455-G1459 PolarHBondContact N-O 3.46Å; N1455-G1459 PolarHBondContact ND2-O 3.25Å; N1455-G1459 PolarHBondContact OD1-N 3.09Å; N1455-G1459 VanDerWaalsContact OD1-N 3.07Å; N1455-G1459 PolarHBondContact OD1-O 2.98Å; L1457-G1459 PolarHBondContact O-N 2.82Å
1460H86.5Confident87.2Confident57 Ų5768.5 Ų68.526%0.26437%0.373SS..EExtended strand (participates in β ladder)trans-79.8137.9172.8-64.3-73.7000111.2E1452 M1453 R1485E1452-H1460 HydrophobicContact CB-CB 3.91Å; E1452-H1460 VanDerWaalsContact OE2-CB 3.26Å; E1452-H1460 WeakPolarHBondContact OE2-CB 3.24Å; M1453-H1460 CarbonylContact O-C 3.57Å; M1453-H1460 WeakPolarHBondContact O-CA 3.45Å; H1460-R1485 PolarHBondContact CD2-NH1 3.42Å; H1460-R1485 VanDerWaalsContact CD2-NH1 3.3Å
1461S86.4Confident87.2Confident42 Ų4267.7 Ų67.729%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-129.4140.8177.4610000111.8E1452 M1453 V1463E1452-S1461 CarbonylContact C-O 3.51Å; E1452-S1461 WeakPolarHBondContact CA-O 3.43Å; E1452-S1461 WeakPolarHBondContact CB-O 3.16Å; M1453-S1461 PolarHBondContact N-O 2.93Å; M1453-S1461 PolarHBondContact O-N 3.28Å; M1453-S1461 PolarHBondContact O-OG 2.91Å; S1461-V1463 PolarHBondContact O-N 3.03Å
1462P88.8Confident87.2Confident103 Ų10373.3 Ų73.367%0.66940%0.395SS*.EExtended strand (participates in β ladder)trans-66.1129.2-175.325.8-34.3000112
1463V88.7Confident87.1Confident46 Ų4672.3 Ų72.328%0.27939%0.391SS..EExtended strand (participates in β ladder)trans-119.1-13.6174.9-67.60000113.3V1451 M1453 S1461 V1473 F1484V1451-V1463 HydrophobicContact CB-CG2 4.2Å; V1451-V1463 HydrophobicContact CG1-CG2 3.93Å; V1451-V1463 WeakPolarHBondContact O-CG2 3.34Å; V1451-V1463 PolarHBondContact O-N 3Å; M1453-V1463 HydrophobicContact CB-CB 4.44Å; M1453-V1463 HydrophobicContact CB-CG1 3.49Å; M1453-V1463 VanDerWaalsContact CB-CG1 3.49Å; M1453-V1463 HydrophobicContact CB-CG2 4.09Å; M1453-V1463 HydrophobicContact CE-CG1 4.18Å; M1453-V1463 HydrophobicContact SD-CG1 4.34Å; S1461-V1463 PolarHBondContact O-N 3.03Å; V1463-V1473 HydrophobicContact CB-CG2 4.43Å; V1463-V1473 HydrophobicContact CG2-CG2 4.3Å; V1463-F1484 HydrophobicContact CG2-CD1 4.08Å; V1463-F1484 HydrophobicContact CG2-CE1 4.23Å
1464Y92.9Very high86.9Confident54 Ų5473.8 Ų73.821%0.21240%0.403CS..EExtended strand (participates in β ladder)trans-151.5140.8166.9-178.2-99.7000111.6W1434 F1450 V1451 G1466 A1468 C1471W1434-Y1464 AromaticContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CE1 4.02Å; W1434-Y1464 HydrophobicContact CH2-CG 4.02Å; W1434-Y1464 AromaticContact CZ2-CD1 3.52Å; W1434-Y1464 HydrophobicContact CZ2-CD1 3.52Å; W1434-Y1464 AromaticContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CG 4.43Å; F1450-Y1464 CarbonylContact C-O 3.43Å; F1450-Y1464 WeakPolarHBondContact CA-O 3.31Å; V1451-Y1464 HydrophobicContact CG2-CD1 4.24Å; V1451-Y1464 PolarHBondContact N-O 2.94Å; V1451-Y1464 PolarHBondContact O-N 2.86Å; V1451-Y1464 VanDerWaalsContact O-N 3.12Å; Y1464-G1466 WeakPolarHBondContact CE1-O 3.43Å; Y1464-G1466 VanDerWaalsContact OH-C 3.3Å; Y1464-G1466 WeakPolarHBondContact OH-CA 3.11Å; Y1464-A1468 VanDerWaalsContact OH-CB 3.31Å; Y1464-A1468 WeakPolarHBondContact OH-CB 3.35Å; Y1464-A1468 PolarHBondContact OH-N 2.8Å; Y1464-A1468 VanDerWaalsContact OH-N 3.07Å; Y1464-C1471 HydrophobicContact CD2-CB 3.66Å; Y1464-C1471 HydrophobicContact CE2-CB 4.43Å; Y1464-C1471 HydrophobicContact CG-CB 3.76Å
1465E90.8Very high86.8Confident136 Ų13681.3 Ų81.364%0.63643%0.428SS*.EExtended strand (participates in β ladder)trans-137.7132.8165-178.4175.3166.400108.2Y1449 F1450Y1449-E1465 WeakPolarHBondContact O-CA 3.31Å; F1450-E1465 HydrophobicContact CD1-CB 4.4Å; F1450-E1465 HydrophobicContact CD1-CG 3.77Å; F1450-E1465 VanDerWaalsContact CE1-CD 3.44Å; F1450-E1465 HydrophobicContact CE1-CG 3.7Å; F1450-E1465 WeakPolarHBondContact CE1-OE1 3.28Å; F1450-E1465 HydrophobicContact CZ-CG 4.48Å
1466G87.4Confident87.1Confident11 Ų1178.7 Ų78.711%0.11342%0.415CS..EExtended strand (participates in β ladder)trans147-174.4175.600000115.1Y1449 Y1464Y1449-G1466 PolarHBondContact N-O 2.92Å; Y1449-G1466 PolarHBondContact O-N 2.85Å; Y1464-G1466 WeakPolarHBondContact CE1-O 3.43Å; Y1464-G1466 VanDerWaalsContact OH-C 3.3Å; Y1464-G1466 WeakPolarHBondContact OH-CA 3.11Å
1467P87.5Confident87.6Confident97 Ų9770.5 Ų70.563%0.6339%0.392SS*.SBendtrans-87.5-8-171.833.9-36.6000115
1468A86.1Confident88Confident45 Ų4567 Ų6737%0.37237%0.372SS..  trans-76.1137.2-176.600000111.1W1434 Y1464 S1470W1434-A1468 WeakPolarHBondContact CZ2-O 3.37Å; Y1464-A1468 VanDerWaalsContact OH-CB 3.31Å; Y1464-A1468 WeakPolarHBondContact OH-CB 3.35Å; Y1464-A1468 PolarHBondContact OH-N 2.8Å; Y1464-A1468 VanDerWaalsContact OH-N 3.07Å; A1468-S1470 PolarHBondContact O-N 2.81Å
1469K87.9Confident88.3Confident75 Ų7570 Ų7033%0.32638%0.377SS..SBendtrans-80.325.2178.3-52.1-158.2-175.4-166.30114.2W1434 D1436 D1444 Y1449W1434-K1469 PolarHBondContact N-O 3.11Å; D1436-K1469 IonicContact OD2-NZ 2.6Å; D1436-K1469 PolarHBondContact OD2-NZ 2.83Å; D1444-K1469 IonicContact OD2-NZ 2.72Å; D1444-K1469 PolarHBondContact OD2-NZ 3.38Å; Y1449-K1469 HydrophobicContact CE2-CD 4.21Å; Y1449-K1469 HydrophobicContact CE2-CG 3.79Å; Y1449-K1469 WeakPolarHBondContact OH-CE 3.01Å; Y1449-K1469 PolarHBondContact OH-NZ 2.81Å; Y1449-K1469 VanDerWaalsContact OH-NZ 3.16Å
1470S90.2Very high88.6Confident47 Ų4770.7 Ų70.733%0.32938%0.376SS..EExtended strand (participates in β ladder)trans-166.7148.5176.169.80000112.4L1432 W1434 A1468L1432-S1470 CarbonylContact O-C 3.53Å; L1432-S1470 WeakPolarHBondContact O-CA 3.48Å; L1432-S1470 WeakPolarHBondContact O-CB 3.44Å; W1434-S1470 VanDerWaalsContact CH2-C 3.45Å; A1468-S1470 PolarHBondContact O-N 2.81Å
1471C90.4Very high88.8Confident13 Ų1370.1 Ų70.19%0.08838%0.381CS..EExtended strand (participates in β ladder)trans-132.4165.617071.10000112K1431 L1432 W1434 Y1464K1431-C1471 CarbonylContact C-O 3.59Å; K1431-C1471 WeakPolarHBondContact CA-O 3.38Å; K1431-C1471 WeakPolarHBondContact CG-O 3.39Å; L1432-C1471 PolarHBondContact N-O 2.86Å; L1432-C1471 PolarHBondContact O-N 2.67Å; L1432-C1471 VanDerWaalsContact O-O 3.08Å; W1434-C1471 HydrophobicContact CH2-CB 3.84Å; W1434-C1471 HydrophobicContact CZ3-CB 4.16Å; Y1464-C1471 HydrophobicContact CD2-CB 3.66Å; Y1464-C1471 HydrophobicContact CE2-CB 4.43Å; Y1464-C1471 HydrophobicContact CG-CB 3.76Å
1472K92.2Very high89.1Confident119 Ų11970.1 Ų70.152%0.51738%0.375SS..EExtended strand (participates in β ladder)trans-115.8120.2166.8-175.2-174.1-177.7-176.40107.8F1429 P1474F1429-K1472 VanDerWaalsContact CB-CE 3.46Å; F1429-K1472 HydrophobicContact CB-CG 4.3Å; F1429-K1472 VanDerWaalsContact CD1-CE 3.45Å; F1429-K1472 HydrophobicContact CD2-CD 4.34Å; F1429-K1472 HydrophobicContact CD2-CG 4.21Å; F1429-K1472 HydrophobicContact CG-CD 4.4Å; F1429-K1472 HydrophobicContact CG-CG 4.45Å; K1472-P1474 WeakPolarHBondContact O-CD 3.48Å
1473V91Very high89.3Confident10 Ų1066 Ų666%0.06135%0.348CS..EExtended strand (participates in β ladder)trans-93.6107.2174.3-172.60000107.8F1429 L1430 L1432 M1453 V1463 L1476 F1484F1429-V1473 VanDerWaalsContact CA-O 3.23Å; F1429-V1473 WeakPolarHBondContact CA-O 3.37Å; F1429-V1473 WeakPolarHBondContact CB-O 3.14Å; L1430-V1473 PolarHBondContact N-O 2.94Å; L1430-V1473 PolarHBondContact O-N 2.88Å; L1432-V1473 HydrophobicContact CD1-CG2 3.98Å; L1432-V1473 HydrophobicContact CG-CG2 4.31Å; M1453-V1473 HydrophobicContact SD-CG1 4.4Å; V1463-V1473 HydrophobicContact CB-CG2 4.43Å; V1463-V1473 HydrophobicContact CG2-CG2 4.3Å; V1473-L1476 HydrophobicContact CB-CD1 4.22Å; V1473-L1476 HydrophobicContact CG1-CD1 4.03Å; V1473-L1476 HydrophobicContact CG1-CD2 3.94Å; V1473-L1476 HydrophobicContact CG1-CG 4.17Å; V1473-F1484 HydrophobicContact CB-CE1 4.49Å; V1473-F1484 HydrophobicContact CG1-CE1 4.25Å; V1473-F1484 HydrophobicContact CG1-CZ 4.45Å; V1473-F1484 HydrophobicContact CG2-CE1 3.94Å; V1473-F1484 HydrophobicContact CG2-CZ 4.39Å
1474P90.1Very high89.6Confident67 Ų6763.8 Ų63.844%0.43534%0.335SS..EExtended strand (participates in β ladder)trans-96.4174.4-177.840.1-35000111.7N1428 K1472 L1476N1428-P1474 CarbonylContact O-C 3.21Å; K1472-P1474 WeakPolarHBondContact O-CD 3.48Å; P1474-L1476 VanDerWaalsContact C-N 3.25Å; P1474-L1476 PolarHBondContact O-N 3.2Å
1475R87.6Confident89.6Confident232 Ų23264.1 Ų64.188%0.87534%0.336SS*.SBendtrans63.530.5175.5-53.3176.7-68-150.6-0.4113.3N1428N1428-R1475 PolarHBondContact O-N 3.42Å
1476L88.7Confident89.7Confident13 Ų1357.6 Ų57.67%0.06831%0.305CS..PPolyproline II helixtrans-83.3154.8169.8-58178.6000109.2N1428 L1430 M1453 V1473 P1474 Y1482 T1506N1428-L1476 VanDerWaalsContact CA-O 3.27Å; N1428-L1476 WeakPolarHBondContact CA-O 3.2Å; N1428-L1476 PolarHBondContact O-N 3.05Å; N1428-L1476 VanDerWaalsContact O-N 3.14Å; L1430-L1476 HydrophobicContact CB-CD1 3.87Å; L1430-L1476 HydrophobicContact CD1-CD1 3.68Å; L1430-L1476 HydrophobicContact CG-CD1 3.56Å; M1453-L1476 HydrophobicContact SD-CD2 4.15Å; V1473-L1476 HydrophobicContact CB-CD1 4.22Å; V1473-L1476 HydrophobicContact CG1-CD1 4.03Å; V1473-L1476 HydrophobicContact CG1-CD2 3.94Å; V1473-L1476 HydrophobicContact CG1-CG 4.17Å; P1474-L1476 VanDerWaalsContact C-N 3.25Å; P1474-L1476 PolarHBondContact O-N 3.2Å; L1476-Y1482 HydrophobicContact CB-CD2 4.44Å; L1476-Y1482 HydrophobicContact CB-CE2 3.69Å; L1476-Y1482 HydrophobicContact CD1-CD2 4.2Å; L1476-Y1482 HydrophobicContact CD1-CE2 4.26Å; L1476-Y1482 HydrophobicContact CD2-CD1 3.98Å; L1476-Y1482 HydrophobicContact CD2-CD2 4.17Å; L1476-Y1482 HydrophobicContact CD2-CE1 3.64Å; L1476-Y1482 HydrophobicContact CD2-CE2 3.85Å; L1476-Y1482 HydrophobicContact CD2-CG 4.22Å; L1476-Y1482 HydrophobicContact CG-CE2 4.13Å; L1476-T1506 HydrophobicContact CB-CG2 3.71Å; L1476-T1506 HydrophobicContact CD1-CG2 4.15Å
1477T86.7Confident90Very high78 Ų7859.6 Ų59.648%0.47931%0.309SS..PPolyproline II helixtrans-81.7150.9176.944.20000111.4T1480 Y1482 T1506T1477-T1480 WeakPolarHBondContact CB-OG1 3.41Å; T1477-T1480 WeakPolarHBondContact O-CB 3.32Å; T1477-T1480 PolarHBondContact O-OG1 3.47Å; T1477-T1480 VanDerWaalsContact OG1-CB 3.29Å; T1477-T1480 WeakPolarHBondContact OG1-CB 3.45Å; T1477-T1480 WeakPolarHBondContact OG1-CG2 3.38Å; T1477-T1480 PolarHBondContact OG1-OG1 3.07Å; T1477-Y1482 PolarHBondContact N-OH 3.5Å; T1477-Y1482 PolarHBondContact OG1-OH 2.8Å; T1477-Y1482 VanDerWaalsContact OG1-OH 3.11Å; T1477-T1506 WeakPolarHBondContact O-CB 3.23Å; T1477-T1506 WeakPolarHBondContact O-CG2 3.5Å; T1477-T1506 PolarHBondContact O-OG1 3.11Å
1478E87.1Confident90Very high92 Ų9255 Ų5543%0.4328%0.28SS..THydrogen-bonded Turntrans-64147.7179.8-161.6170.9-150.500111H1427 T1480 G1507 R1508 T1509H1427-E1478 HydrophobicContact CB-CG 3.9Å; H1427-E1478 WeakPolarHBondContact CB-OE1 3.4Å; H1427-E1478 WeakPolarHBondContact O-CA 3.35Å; H1427-E1478 WeakPolarHBondContact O-CB 3.42Å; H1427-E1478 PolarHBondContact O-N 3.3Å; E1478-T1480 PolarHBondContact O-N 3.32Å; E1478-T1480 VanDerWaalsContact O-N 3.09Å; E1478-T1480 PolarHBondContact O-OG1 3.25Å; E1478-G1507 VanDerWaalsContact CG-O 3.26Å; E1478-G1507 WeakPolarHBondContact CG-O 3.37Å; E1478-R1508 VanDerWaalsContact OE1-CA 3.24Å; E1478-R1508 WeakPolarHBondContact OE1-CA 3.49Å; E1478-T1509 PolarHBondContact OE1-N 3.38Å; E1478-T1509 PolarHBondContact OE1-OG1 3.39Å
1479N85.7Confident89.9Confident103 Ų10353.8 Ų53.855%0.55127%0.268SS*.THydrogen-bonded Turntrans48.438.8177.8-157.3109.1000114.1T1506 R1508N1479-T1506 PolarHBondContact N-OG1 3.02Å; N1479-R1508 PolarHBondContact OD1-NE 3.46Å; N1479-R1508 PolarHBondContact OD1-NH2 3.07Å; N1479-R1508 VanDerWaalsContact OD1-NH2 3.11Å
1480T88.4Confident89.2Confident44 Ų4451.6 Ų51.627%0.2726%0.262SS..  trans-123141-174.4-55.20000111.3T1477 E1478 Y1482 C1505 T1506T1477-T1480 WeakPolarHBondContact CB-OG1 3.41Å; T1477-T1480 WeakPolarHBondContact O-CB 3.32Å; T1477-T1480 PolarHBondContact O-OG1 3.47Å; T1477-T1480 VanDerWaalsContact OG1-CB 3.29Å; T1477-T1480 WeakPolarHBondContact OG1-CB 3.45Å; T1477-T1480 WeakPolarHBondContact OG1-CG2 3.38Å; T1477-T1480 PolarHBondContact OG1-OG1 3.07Å; E1478-T1480 PolarHBondContact O-N 3.32Å; E1478-T1480 VanDerWaalsContact O-N 3.09Å; E1478-T1480 PolarHBondContact O-OG1 3.25Å; T1480-Y1482 HydrophobicContact CG2-CD2 4.32Å; T1480-Y1482 HydrophobicContact CG2-CE2 3.65Å; T1480-C1505 WeakPolarHBondContact O-CA 3.47Å; T1480-T1506 PolarHBondContact N-OG1 2.6Å; T1480-T1506 PolarHBondContact O-N 3.19Å; T1480-T1506 PolarHBondContact O-OG1 2.99Å
1481A90.5Very high88.2Confident45 Ų4558.5 Ų58.537%0.37229%0.287SS..EExtended strand (participates in β ladder)trans-92.3142.2178.700000112.7Q1503 F1504A1481-Q1503 HydrophobicContact CB-CG 4.12Å; A1481-F1504 CarbonylContact C-O 3.55Å; A1481-F1504 WeakPolarHBondContact CA-O 3.21Å
1482Y91.7Very high87.1Confident42 Ų4262.5 Ų62.517%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-141.2136.7179.3-65.7-91.3000110.8L1430 M1453 L1476 T1477 T1480 F1484 Q1503 F1504 T1506L1430-Y1482 HydrophobicContact CD1-CD2 4.33Å; M1453-Y1482 HydrophobicContact SD-CD1 3.77Å; M1453-Y1482 HydrophobicContact SD-CE1 4.41Å; M1453-Y1482 HydrophobicContact SD-CG 4.44Å; L1476-Y1482 HydrophobicContact CB-CD2 4.44Å; L1476-Y1482 HydrophobicContact CB-CE2 3.69Å; L1476-Y1482 HydrophobicContact CD1-CD2 4.2Å; L1476-Y1482 HydrophobicContact CD1-CE2 4.26Å; L1476-Y1482 HydrophobicContact CD2-CD1 3.98Å; L1476-Y1482 HydrophobicContact CD2-CD2 4.17Å; L1476-Y1482 HydrophobicContact CD2-CE1 3.64Å; L1476-Y1482 HydrophobicContact CD2-CE2 3.85Å; L1476-Y1482 HydrophobicContact CD2-CG 4.22Å; L1476-Y1482 HydrophobicContact CG-CE2 4.13Å; T1477-Y1482 PolarHBondContact N-OH 3.5Å; T1477-Y1482 PolarHBondContact OG1-OH 2.8Å; T1477-Y1482 VanDerWaalsContact OG1-OH 3.11Å; T1480-Y1482 HydrophobicContact CG2-CD2 4.32Å; T1480-Y1482 HydrophobicContact CG2-CE2 3.65Å; Y1482-F1484 WeakPolarHBondContact O-CD2 3.36Å; Y1482-F1484 WeakPolarHBondContact O-CE2 3.32Å; Y1482-Q1503 WeakPolarHBondContact O-CA 3.34Å; Y1482-F1504 PolarHBondContact N-O 3.45Å; Y1482-F1504 PolarHBondContact O-N 3.42Å; Y1482-T1506 HydrophobicContact CE2-CG2 4.37Å
1483T93.7Very high85.8Confident17 Ų1757.4 Ų57.410%0.10429%0.289CS..EExtended strand (participates in β ladder)trans-98.5140.9179.3-31.50000111.3M1453 E1454 P1501 V1502 Q1503M1453-T1483 CarbonylContact C-O 3.38Å; M1453-T1483 WeakPolarHBondContact CA-O 3.44Å; E1454-T1483 PolarHBondContact N-O 3.43Å; E1454-T1483 WeakPolarHBondContact OE2-CB 2.85Å; E1454-T1483 PolarHBondContact OE2-OG1 3.09Å; T1483-P1501 HydrophobicContact CG2-CB 3.63Å; T1483-V1502 CarbonylContact C-O 3.57Å; T1483-V1502 WeakPolarHBondContact CA-O 3.28Å; T1483-Q1503 HydrophobicContact CG2-CB 4.43Å
1484F94.8Very high85Confident0 Ų058.7 Ų58.70%030%0.303CS..EExtended strand (participates in β ladder)trans-138.3151.4-178.3-57.7-89.9000112.6L1420 L1430 L1432 E1452 M1453 V1463 V1473 Y1482 P1501 V1502 F1504L1420-F1484 HydrophobicContact CD2-CB 3.76Å; L1430-F1484 HydrophobicContact CD1-CE2 3.66Å; L1430-F1484 HydrophobicContact CD1-CZ 3.98Å; L1432-F1484 HydrophobicContact CD1-CB 4.12Å; L1432-F1484 HydrophobicContact CD1-CD1 3.56Å; L1432-F1484 HydrophobicContact CD1-CD2 4.07Å; L1432-F1484 HydrophobicContact CD1-CE1 3.89Å; L1432-F1484 HydrophobicContact CD1-CE2 4.36Å; L1432-F1484 HydrophobicContact CD1-CG 3.65Å; L1432-F1484 HydrophobicContact CD1-CZ 4.28Å; L1432-F1484 HydrophobicContact CD2-CD2 4.32Å; L1432-F1484 HydrophobicContact CD2-CE2 4.38Å; E1452-F1484 CarbonylContact O-C 3.59Å; E1452-F1484 WeakPolarHBondContact O-CA 3.44Å; M1453-F1484 HydrophobicContact CB-CD1 3.64Å; M1453-F1484 HydrophobicContact CB-CE1 3.58Å; M1453-F1484 HydrophobicContact CG-CD1 3.82Å; M1453-F1484 HydrophobicContact CG-CE1 3.41Å; M1453-F1484 VanDerWaalsContact CG-CE1 3.41Å; M1453-F1484 HydrophobicContact CG-CZ 3.94Å; M1453-F1484 HydrophobicContact SD-CE1 3.62Å; M1453-F1484 HydrophobicContact SD-CZ 3.87Å; V1463-F1484 HydrophobicContact CG2-CD1 4.08Å; V1463-F1484 HydrophobicContact CG2-CE1 4.23Å; V1473-F1484 HydrophobicContact CB-CE1 4.49Å; V1473-F1484 HydrophobicContact CG1-CE1 4.25Å; V1473-F1484 HydrophobicContact CG1-CZ 4.45Å; V1473-F1484 HydrophobicContact CG2-CE1 3.94Å; V1473-F1484 HydrophobicContact CG2-CZ 4.39Å; Y1482-F1484 WeakPolarHBondContact O-CD2 3.36Å; Y1482-F1484 WeakPolarHBondContact O-CE2 3.32Å; F1484-P1501 CarbonylContact O-C 3.59Å; F1484-P1501 WeakPolarHBondContact O-CA 3.49Å; F1484-V1502 PolarHBondContact N-O 3.24Å; F1484-V1502 PolarHBondContact O-N 3.25Å; F1484-F1504 AromaticContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CE2-CD2 4.28Å
1485R93.7Very high84.5Confident60 Ų6060.8 Ų60.823%0.22631%0.309CS..EExtended strand (participates in β ladder)trans-138.9155.417266178.3-171.9-176.13.6111.6V1451 E1452 H1460 W1498V1451-R1485 CarbonylContact C-O 3.57Å; V1451-R1485 VanDerWaalsContact CA-O 3.31Å; V1451-R1485 WeakPolarHBondContact CA-O 3.23Å; V1451-R1485 WeakPolarHBondContact CG1-O 3.33Å; E1452-R1485 HydrophobicContact CB-CG 4.21Å; E1452-R1485 PolarHBondContact N-O 2.86Å; E1452-R1485 PolarHBondContact O-N 3.34Å; E1452-R1485 IonicContact OE2-CZ 3.24Å; E1452-R1485 IonicContact OE2-NE 3.02Å; E1452-R1485 PolarHBondContact OE2-NE 3.42Å; E1452-R1485 IonicContact OE2-NH2 2.81Å; E1452-R1485 PolarHBondContact OE2-NH2 2.88Å; H1460-R1485 PolarHBondContact CD2-NH1 3.42Å; H1460-R1485 VanDerWaalsContact CD2-NH1 3.3Å; R1485-W1498 HydrophobicContact CB-CE3 4.43Å; R1485-W1498 HydrophobicContact CG-CD2 4.41Å; R1485-W1498 HydrophobicContact CG-CE3 3.81Å; R1485-W1498 HydrophobicContact CG-CZ3 4.17Å
1486V93.3Very high84.2Confident0 Ų050.2 Ų50.20%027%0.272CS..EExtended strand (participates in β ladder)trans-137.5147.2-175.459.30000113P1418 L1420 W1434 F1450 V1451 W1498 S1499P1418-V1486 HydrophobicContact CG-CB 4.45Å; P1418-V1486 HydrophobicContact CG-CG1 3.91Å; P1418-V1486 HydrophobicContact CG-CG2 3.83Å; P1418-V1486 WeakPolarHBondContact O-CG1 3.24Å; L1420-V1486 HydrophobicContact CB-CG1 3.86Å; L1420-V1486 HydrophobicContact CD1-CB 4.38Å; L1420-V1486 HydrophobicContact CD1-CG1 4.07Å; L1420-V1486 HydrophobicContact CD2-CG1 4.25Å; L1420-V1486 HydrophobicContact CG-CG1 4.28Å; W1434-V1486 HydrophobicContact CD2-CG2 4.27Å; W1434-V1486 HydrophobicContact CG-CG2 4.18Å; F1450-V1486 CarbonylContact O-C 3.53Å; F1450-V1486 WeakPolarHBondContact O-CA 3.4Å; F1450-V1486 WeakPolarHBondContact O-CG2 3.25Å; V1451-V1486 HydrophobicContact CG2-CB 4.12Å; V1451-V1486 HydrophobicContact CG2-CG2 3.8Å; V1486-W1498 CarbonylContact O-C 3.58Å; V1486-S1499 PolarHBondContact N-OG 3Å; V1486-S1499 WeakPolarHBondContact O-CB 3.47Å; V1486-S1499 PolarHBondContact O-N 3.29Å
1487R92.5Very high84.1Confident52 Ų5252.7 Ų52.720%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-136.1166.316966175.2174.4177.2-0.6112Y1449 F1450 M1495 A1497 W1498Y1449-R1487 VanDerWaalsContact CA-O 3.31Å; Y1449-R1487 WeakPolarHBondContact CA-O 3.43Å; F1450-R1487 HydrophobicContact CB-CG 3.9Å; F1450-R1487 HydrophobicContact CD2-CG 4.01Å; F1450-R1487 HydrophobicContact CG-CG 4.31Å; F1450-R1487 PolarHBondContact N-O 2.65Å; F1450-R1487 PolarHBondContact O-N 3.15Å; R1487-M1495 PolarHBondContact NH1-SD 3.43Å; R1487-A1497 VanDerWaalsContact CB-O 3.24Å; R1487-A1497 WeakPolarHBondContact CB-O 3.26Å; R1487-W1498 HydrophobicContact CB-CD2 3.98Å; R1487-W1498 HydrophobicContact CB-CE3 3.78Å; R1487-W1498 HydrophobicContact CB-CG 4.4Å; R1487-W1498 HydrophobicContact CB-CZ3 4.23Å; R1487-W1498 HydrophobicContact CG-CD2 3.94Å; R1487-W1498 HydrophobicContact CG-CE3 3.73Å; R1487-W1498 HydrophobicContact CG-CH2 3.89Å; R1487-W1498 HydrophobicContact CG-CZ2 4.11Å; R1487-W1498 HydrophobicContact CG-CZ3 3.71Å; R1487-W1498 VanDerWaalsContact NE-CZ2 3.3Å
1488A88.5Confident84.3Confident1 Ų152.3 Ų52.31%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-118.4159.8173.900000111.9P1415 T1448 Y1449 G1496P1415-A1488 HydrophobicContact CB-CB 4.12Å; T1448-A1488 CarbonylContact O-C 3.56Å; T1448-A1488 WeakPolarHBondContact O-CA 3.3Å; Y1449-A1488 HydrophobicContact CD1-CB 3.88Å; Y1449-A1488 HydrophobicContact CE1-CB 3.83Å; A1488-G1496 WeakPolarHBondContact O-CA 2.9Å; A1488-G1496 PolarHBondContact O-N 3.01Å
1489S84.1Confident84.4Confident19 Ų1948.8 Ų48.813%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-139.2148.4173.9-170.90000110.8R1447 T1448 G1494R1447-S1489 WeakPolarHBondContact CA-O 3.36Å; T1448-S1489 PolarHBondContact N-O 2.96Å; T1448-S1489 VanDerWaalsContact N-O 3.16Å; T1448-S1489 PolarHBondContact O-N 2.85Å; S1489-G1494 WeakPolarHBondContact CA-O 3.36Å; S1489-G1494 PolarHBondContact OG-O 3.37Å
1490S73Confident84.4Confident29 Ų2950.4 Ų50.420%0.20328%0.278CS..EExtended strand (participates in β ladder)trans-128.7142.8179.9177.50000111.6N1492 G1493 G1494S1490-N1492 VanDerWaalsContact C-N 3.27Å; S1490-N1492 PolarHBondContact O-N 3.45Å; S1490-G1493 PolarHBondContact O-N 2.98Å; S1490-G1494 PolarHBondContact N-O 2.76Å; S1490-G1494 PolarHBondContact O-N 2.85Å
1491K69.2Low84.5Confident193 Ų19351.9 Ų51.984%0.83929%0.289SS*.THydrogen-bonded Turntrans-54.2-38.7-176.4-172.1-173.9175.9-169.60113.7
1492N65.8Low84.4Confident96 Ų9652 Ų5251%0.51329%0.285SS..THydrogen-bonded Turntrans-107-14-175.6-67.416000113.2S1412 S1490S1412-N1492 VanDerWaalsContact OG-CB 3.25Å; S1412-N1492 WeakPolarHBondContact OG-CB 3.44Å; S1490-N1492 VanDerWaalsContact C-N 3.27Å; S1490-N1492 PolarHBondContact O-N 3.45Å
1493G65.3Low84.4Confident13 Ų1356 Ų5613%0.13431%0.305CS..THydrogen-bonded Turntrans-113.6-1.2-174.800000115.1P1414 S1490P1414-G1493 WeakPolarHBondContact CA-O 3.41Å; S1490-G1493 PolarHBondContact O-N 2.98Å
1494G74Confident84.3Confident36 Ų3656.5 Ų56.537%0.37131%0.306SS..EExtended strand (participates in β ladder)trans74.2-162.5178.300000114.7P1415 S1489 S1490P1415-G1494 WeakPolarHBondContact CD-O 3.33Å; S1489-G1494 WeakPolarHBondContact CA-O 3.36Å; S1489-G1494 PolarHBondContact OG-O 3.37Å; S1490-G1494 PolarHBondContact N-O 2.76Å; S1490-G1494 PolarHBondContact O-N 2.85Å
1495M81.4Confident84.1Confident112 Ų11260 Ų6055%0.55233%0.329SS*.EExtended strand (participates in β ladder)trans-82.9129.6179.6-68.2-174.8175.700111.4R1487R1487-M1495 PolarHBondContact NH1-SD 3.43Å
1496G81.3Confident83.8Confident10 Ų1057.6 Ų57.610%0.10332%0.322CS..PPolyproline II helixtrans-79.2172.1169.700000113.4P1415 A1488P1415-G1496 WeakPolarHBondContact O-CA 3.46Å; A1488-G1496 WeakPolarHBondContact O-CA 2.9Å; A1488-G1496 PolarHBondContact O-N 3.01Å
1497A85.8Confident83.2Confident64 Ų6458.7 Ų58.753%0.52933%0.332SS..PPolyproline II helixtrans-66.2157.6176.700000112.8A1417 R1487A1417-A1497 HydrophobicContact CB-CB 4.43Å; A1417-A1497 WeakPolarHBondContact CB-O 3.34Å; R1487-A1497 VanDerWaalsContact CB-O 3.24Å; R1487-A1497 WeakPolarHBondContact CB-O 3.26Å
1498W90.3Very high82.5Confident70 Ų7065.1 Ų65.127%0.26536%0.357SS..PPolyproline II helixtrans-73.3146.6166.5-68105.1000111F1450 E1452 R1485 V1486 R1487F1450-W1498 HydrophobicContact CB-CH2 4.06Å; F1450-W1498 HydrophobicContact CB-CZ3 4.33Å; F1450-W1498 WeakPolarHBondContact O-CZ3 3.45Å; E1452-W1498 HydrophobicContact CG-CH2 3.56Å; E1452-W1498 HydrophobicContact CG-CZ2 4.36Å; E1452-W1498 HydrophobicContact CG-CZ3 4.01Å; E1452-W1498 WeakPolarHBondContact OE1-CH2 3.48Å; E1452-W1498 WeakPolarHBondContact OE1-CZ2 3.34Å; R1485-W1498 HydrophobicContact CB-CE3 4.43Å; R1485-W1498 HydrophobicContact CG-CD2 4.41Å; R1485-W1498 HydrophobicContact CG-CE3 3.81Å; R1485-W1498 HydrophobicContact CG-CZ3 4.17Å; V1486-W1498 CarbonylContact O-C 3.58Å; R1487-W1498 HydrophobicContact CB-CD2 3.98Å; R1487-W1498 HydrophobicContact CB-CE3 3.78Å; R1487-W1498 HydrophobicContact CB-CG 4.4Å; R1487-W1498 HydrophobicContact CB-CZ3 4.23Å; R1487-W1498 HydrophobicContact CG-CD2 3.94Å; R1487-W1498 HydrophobicContact CG-CE3 3.73Å; R1487-W1498 HydrophobicContact CG-CH2 3.89Å; R1487-W1498 HydrophobicContact CG-CZ2 4.11Å; R1487-W1498 HydrophobicContact CG-CZ3 3.71Å; R1487-W1498 VanDerWaalsContact NE-CZ2 3.3Å
1499S89Confident81.9Confident18 Ų1869.2 Ų69.213%0.12638%0.382CS..PPolyproline II helixtrans-64.9160.9162.977.30000110.8V1486V1486-S1499 PolarHBondContact N-OG 3Å; V1486-S1499 WeakPolarHBondContact O-CB 3.47Å; V1486-S1499 PolarHBondContact O-N 3.29Å
1500D86.9Confident80.8Confident137 Ų13773.1 Ų73.173%0.73341%0.406SS*.PPolyproline II helixtrans-56.6149.5162.1-60.7-57.1000110.9
1501P89.2Confident80.1Confident75 Ų7577.7 Ų77.749%0.48744%0.435SS..PPolyproline II helixtrans-71.4128174.7-17.432.1000111.9T1483 F1484T1483-P1501 HydrophobicContact CG2-CB 3.63Å; F1484-P1501 CarbonylContact O-C 3.59Å; F1484-P1501 WeakPolarHBondContact O-CA 3.49Å
1502V88.9Confident79.7Confident49 Ų4974.7 Ų74.730%0.29744%0.436SS..EExtended strand (participates in β ladder)trans-116.2132.7-179.3-167.70000110.4L1420 T1483 F1484 F1504L1420-V1502 HydrophobicContact CB-CG2 4.29Å; T1483-V1502 CarbonylContact C-O 3.57Å; T1483-V1502 WeakPolarHBondContact CA-O 3.28Å; F1484-V1502 PolarHBondContact N-O 3.24Å; F1484-V1502 PolarHBondContact O-N 3.25Å; V1502-F1504 HydrophobicContact CB-CE2 4.22Å; V1502-F1504 HydrophobicContact CB-CZ 3.98Å; V1502-F1504 HydrophobicContact CG1-CD1 4.38Å; V1502-F1504 HydrophobicContact CG1-CE1 3.57Å; V1502-F1504 HydrophobicContact CG1-CE2 4.04Å; V1502-F1504 HydrophobicContact CG1-CZ 3.37Å
1503Q91.8Very high78.4Confident125 Ų12575.2 Ų75.258%0.58445%0.453SS*.EExtended strand (participates in β ladder)trans-101.3136-177.4-165.2179.265.300112.6A1481 Y1482 T1483A1481-Q1503 HydrophobicContact CB-CG 4.12Å; Y1482-Q1503 WeakPolarHBondContact O-CA 3.34Å; T1483-Q1503 HydrophobicContact CG2-CB 4.43Å
1504F91.2Very high77.3Confident27 Ų2783.3 Ų83.312%0.11849%0.492CS..EExtended strand (participates in β ladder)trans-136.5146.3-177.6-60-52.7000112.2L1420 L1422 L1430 L1432 A1481 Y1482 F1484 V1502L1420-F1504 HydrophobicContact CG-CE2 4.29Å; L1422-F1504 HydrophobicContact CB-CD1 3.64Å; L1422-F1504 HydrophobicContact CB-CD2 4.41Å; L1422-F1504 HydrophobicContact CB-CE1 3.67Å; L1422-F1504 HydrophobicContact CB-CE2 4.45Å; L1422-F1504 HydrophobicContact CB-CG 4.03Å; L1422-F1504 HydrophobicContact CB-CZ 4.09Å; L1422-F1504 HydrophobicContact CD1-CB 4.38Å; L1422-F1504 HydrophobicContact CD1-CG 4.36Å; L1422-F1504 HydrophobicContact CD2-CB 4.22Å; L1422-F1504 HydrophobicContact CD2-CD1 4.1Å; L1422-F1504 HydrophobicContact CD2-CG 4.32Å; L1422-F1504 HydrophobicContact CG-CD1 4.37Å; L1422-F1504 HydrophobicContact CG-CG 4.47Å; L1430-F1504 HydrophobicContact CD1-CB 3.85Å; L1430-F1504 HydrophobicContact CD2-CB 4.38Å; L1432-F1504 HydrophobicContact CD2-CD2 3.51Å; L1432-F1504 HydrophobicContact CD2-CE2 3.73Å; A1481-F1504 CarbonylContact C-O 3.55Å; A1481-F1504 WeakPolarHBondContact CA-O 3.21Å; Y1482-F1504 PolarHBondContact N-O 3.45Å; Y1482-F1504 PolarHBondContact O-N 3.42Å; F1484-F1504 AromaticContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CE2-CD2 4.28Å; V1502-F1504 HydrophobicContact CB-CE2 4.22Å; V1502-F1504 HydrophobicContact CB-CZ 3.98Å; V1502-F1504 HydrophobicContact CG1-CD1 4.38Å; V1502-F1504 HydrophobicContact CG1-CE1 3.57Å; V1502-F1504 HydrophobicContact CG1-CE2 4.04Å; V1502-F1504 HydrophobicContact CG1-CZ 3.37Å
1505C90.4Very high75.8Confident74 Ų7492.2 Ų92.250%0.552%0.521SS..EExtended strand (participates in β ladder)trans-113139.9-176.3-61.50000112.9A1425 L1430 T1480A1425-C1505 WeakPolarHBondContact CB-O 3.33Å; L1430-C1505 WeakPolarHBondContact CD2-O 3.39Å; T1480-C1505 WeakPolarHBondContact O-CA 3.47Å
1506T87.7Confident74.3Confident10 Ų1090.5 Ų90.56%0.06153%0.532CS..  trans-71.4153.4174.2480000112.9G1426 L1430 L1476 T1477 N1479 T1480 Y1482G1426-T1506 WeakPolarHBondContact O-CB 3.27Å; L1430-T1506 HydrophobicContact CD2-CG2 4.19Å; L1430-T1506 HydrophobicContact CG-CG2 4.07Å; L1476-T1506 HydrophobicContact CB-CG2 3.71Å; L1476-T1506 HydrophobicContact CD1-CG2 4.15Å; T1477-T1506 WeakPolarHBondContact O-CB 3.23Å; T1477-T1506 WeakPolarHBondContact O-CG2 3.5Å; T1477-T1506 PolarHBondContact O-OG1 3.11Å; N1479-T1506 PolarHBondContact N-OG1 3.02Å; T1480-T1506 PolarHBondContact N-OG1 2.6Å; T1480-T1506 PolarHBondContact O-N 3.19Å; T1480-T1506 PolarHBondContact O-OG1 2.99Å; Y1482-T1506 HydrophobicContact CE2-CG2 4.37Å
1507G80.9Confident72.5Confident22 Ų2299.7 Ų99.723%0.22756%0.564CS.*  trans-85.1-154.6-176.600000114.1G1426 E1478G1426-G1507 PolarHBondContact O-N 2.99Å; E1478-G1507 VanDerWaalsContact CG-O 3.26Å; E1478-G1507 WeakPolarHBondContact CG-O 3.37Å
1508R78.1Confident70.5Confident188 Ų188104.7 Ų104.771%0.70958%0.581SS**  trans-125.9165.3175.2-64.6-173.4-177-1680.2112.8E1478 N1479E1478-R1508 VanDerWaalsContact OE1-CA 3.24Å; E1478-R1508 WeakPolarHBondContact OE1-CA 3.49Å; N1479-R1508 PolarHBondContact OD1-NE 3.46Å; N1479-R1508 PolarHBondContact OD1-NH2 3.07Å; N1479-R1508 VanDerWaalsContact OD1-NH2 3.11Å
1509T75.3Confident68.4Low87 Ų87106.2 Ų106.253%0.53460%0.595SS.*  trans-82.4130.8-169.9-570000114.7H1427 E1478H1427-T1509 VanDerWaalsContact CB-OG1 3.29Å; H1427-T1509 WeakPolarHBondContact CB-OG1 3.41Å; H1427-T1509 VanDerWaalsContact CG-OG1 3.29Å; E1478-T1509 PolarHBondContact OE1-N 3.38Å; E1478-T1509 PolarHBondContact OE1-OG1 3.39Å
1510P62Low66.3Low100 Ų100110.7 Ų110.765%0.64963%0.625SS**  trans-107.3163-177.511.210.8000116.6
1511P57.3Low64Low125 Ų125108.4 Ų108.481%0.81263%0.625SS**  trans-90.4169.7179.436-36.3000116.5
1512P61.4Low61.7Low131 Ų131116.3 Ų116.385%0.85165%0.645SS**  trans-118.6158.8-161.541.2-31.5000119.1
1513A38.5Very low59.1Low106 Ų106124.6 Ų124.688%0.87667%0.671SS**  trans-160176.6170.900000115.2
1514L42.8Very low56.5Low183 Ų183124.8 Ų124.896%0.95867%0.672SS**  trans-109.8175.9-156.8-71.1161.9000118.1
1515K41.9Very low54.5Low224 Ų224130.2 Ų130.297%0.97470%0.701SS**  trans-162.7154.8-168.9-145.4177.8-168.3177.20117.2
1516G50.5Low52Low76 Ų76134 Ų13478%0.78472%0.716SS**  trans155171.9160.300000114.7
1517R41.7Very low49.4Very low203 Ų203138 Ų13877%0.76674%0.744SS**  cis-166.7137.1-37-176.3177.8-174.4179.3-1.6109.9N1519R1517-N1519 PolarHBondContact NE-OD1 3.37Å; R1517-N1519 PolarHBondContact NH2-ND2 3.32Å; R1517-N1519 VanDerWaalsContact NH2-ND2 3.18Å
1518N44.6Very low47.3Very low168 Ų168145.5 Ų145.590%0.89877%0.771SS**  trans-148.3131.8156-113.9-15.2000108.6
1519N47.1Very low45.1Very low102 Ų102145.1 Ų145.155%0.54578%0.775SS.*  trans-116.5144.3-173.8-87.137.7000108.7R1517R1517-N1519 PolarHBondContact NE-OD1 3.37Å; R1517-N1519 PolarHBondContact NH2-ND2 3.32Å; R1517-N1519 VanDerWaalsContact NH2-ND2 3.18Å
1520C43.4Very low42.8Very low112 Ų112145 Ų14576%0.75778%0.783SS**  49.5118.873.5-66.40000112.7
1521A39.3Very low41.2Very low89 Ų89146.3 Ų146.374%0.73679%0.789SS**  62.313654.800000114.8
1522R40.7Very low39.8Very low241 Ų241149.5 Ų149.591%0.90979%0.79SS**  trans65.290.2140.7-166.1-176.5-168.3-179.94.2118
1523R34.2Very low38.7Very low223 Ų223153.9 Ų153.984%0.84280%0.796SS**  trans-173163.5163.3-101157.5-178.4-122.58.3107.4
1524E36.7Very low38.9Very low130 Ų130155.8 Ų155.861%0.60779%0.791SS**  cis-155.918010-140.7151.5-123.800113.4
1525L49.2Very low38.1Very low140 Ų140154.1 Ų154.173%0.73378%0.782SS**  trans-2.6141.7157.7-68.3158.3000120.8
1526L38.2Very low37.5Very low155 Ų155151.1 Ų151.181%0.81278%0.776SS**  -179.1149.698.5-98.6174.3000116.7
1527S34Very low36.5Very low93 Ų93150.1 Ų150.165%0.6576%0.76SS**  trans65.9135.4138.472.60000125.3
1528F37.5Very low36Very low180 Ų180146.3 Ų146.379%0.78976%0.761SS**  66.3126.9129.6-86.8-134.5000123.2
1529F30.6Very low35.3Very low180 Ų180144.1 Ų144.179%0.78975%0.748SS**  trans58124.1156.4-68.1-57.3000121.9
1530A28.3Very low35Very low85 Ų85150.6 Ų150.670%0.70277%0.765SS**  trans72.2175.3137.800000120.1
1531T27.1Very low34.3Very low126 Ų126151.5 Ų151.577%0.77376%0.761SS**SBendtrans11.6116.3155.4480000118.4
1532K28.4Very low33.9Very low192 Ų192153.2 Ų153.284%0.83576%0.762SS**  cis-141.9150.6-8.2-70.8179178.1175.60107N1534K1532-N1534 PolarHBondContact O-N 3.32Å; K1532-N1534 VanDerWaalsContact O-N 3.1Å
1533K37.9Very low33.4Very low223 Ų223148.2 Ų148.297%0.9775%0.754SS**  trans-55.1116.5-173.9-87-171.7173.9-177.60112.8
1534N41.9Very low33.3Very low147 Ų147143.8 Ų143.879%0.78675%0.751SS**  trans-133.3166.7164.2-158.7-15.4000106.4K1532K1532-N1534 PolarHBondContact O-N 3.32Å; K1532-N1534 VanDerWaalsContact O-N 3.1Å
1535I26.6Very low33.2Very low147 Ų147142 Ų14275%0.75476%0.758SS**  trans75.6136.1-160.2-49.6160.3000111A1537I1535-A1537 HydrophobicContact CG2-CB 3.96Å
1536L30Very low32.4Very low162 Ų162144.3 Ų144.385%0.84877%0.765SS**  cis-60.5139.9-1.2-59.4165.7000111.5
1537A28.5Very low32.1Very low55 Ų55142.5 Ų142.546%0.45576%0.76SS.*  cis68.8142.124.400000115.7I1535 I1539I1535-A1537 HydrophobicContact CG2-CB 3.96Å; A1537-I1539 HydrophobicContact CB-CD1 4.03Å; A1537-I1539 HydrophobicContact CB-CG1 4.21Å
1538P31.5Very low31.8Very low122 Ų122144 Ų14479%0.79277%0.766SS**  cis-90.1137.83.535.1-32.3000113.4
1539I29.6Very low31.7Very low123 Ų123139.8 Ų139.863%0.63176%0.764SS**  96136.452.5-72.3159.5000112A1537 I1541A1537-I1539 HydrophobicContact CB-CD1 4.03Å; A1537-I1539 HydrophobicContact CB-CG1 4.21Å; I1539-I1541 HydrophobicContact CG1-CD1 4.45Å
1540R40.9Very low31.5Very low237 Ų237135.3 Ų135.389%0.89476%0.761SS**  trans8488.3-159.5-57.4171.6-168.8-107.53.7111.1
1541I29.1Very low31.7Very low132 Ų132137.7 Ų137.768%0.67777%0.766SS**  cis67.2105.217.7-54.1175.5000113I1539I1539-I1541 HydrophobicContact CG1-CD1 4.45Å
1542V30.9Very low31.6Very low124 Ų124138.4 Ų138.475%0.75276%0.761SS**  trans71.4133.8153.81760000114.8
1543D29.5Very low31.5Very low137 Ų137142 Ų14273%0.73377%0.769SS**  cis-145.3165.420.1-137.4-27.1000113.6
1544V32.3Very low30.9Very low130 Ų130135.5 Ų135.579%0.78875%0.752SS**SBendtrans38.9111.3163.8-168.90000117.9
1545A36.5Very low30.1Very low91 Ų91134.3 Ų134.375%0.75275%0.75SS**  cis-143.9155.43.200000110.5
1546E30.7Very low29.9Very low190 Ų190132.8 Ų132.889%0.88875%0.747SS**  trans-81.9152.8176.6-61-169.977.300111
1547T31.8Very low29.7Very low116 Ų116133.3 Ų133.371%0.71274%0.743SS**  cis-123.917216.450.80000114.8
1548T28.6Very low29.4Very low126 Ų126138.8 Ų138.877%0.77376%0.761SS**  trans-33.1125.8160.552.20000114.3
1549A34.3Very low29.3Very low90 Ų90137.9 Ų137.974%0.74476%0.758SS**  cis71.5142.121.600000115.7
1550A27.2Very low29.2Very low87 Ų87138.3 Ų138.372%0.71976%0.76SS**  trans61.5133.1-153.800000112.9
1551V32.2Very low28.8Very low135 Ų135130.6 Ų130.682%0.81876%0.755SS**  cis-106.5116.919173.80000113
1552E24.8Very low28.8Very low141 Ų141133 Ų13366%0.65976%0.763SS**  trans-63.8138.3156.6-60.7157.9110.500108S1554E1552-S1554 PolarHBondContact O-N 3.23Å
1553W27Very low29Very low268 Ų268130.1 Ų130.1100%1.01576%0.759SS**  5123.354.2-66.183.4000114.6
1554S24.9Very low29.5Very low85 Ų85131.5 Ų131.559%0.59477%0.766SS**  trans-128.5135.3150.668.80000106.5E1552E1552-S1554 PolarHBondContact O-N 3.23Å
1555T25.6Very low29.4Very low123 Ų123135 Ų13576%0.75577%0.771SS**  cis-136.1145.418.732.40000109
1556V22.8Very low29.2Very low115 Ų115138.1 Ų138.170%0.69777%0.774SS**  64.6125.867.7173.80000113.3
1557K24.8Very low29.6Very low173 Ų173133.6 Ų133.675%0.75277%0.769SS**  trans76.8125.3174.9-72.3161.2-173.3178.10114.6
1558M22.4Very low29.4Very low169 Ų169137.1 Ų137.183%0.83377%0.771SS**  57.9125.176.7-58.6165.165.600110.4
1559S30.5Very low29.3Very low104 Ų104135.7 Ų135.773%0.72777%0.772SS**  cis-136.714929.644.80000111.8
1560L27.3Very low29.2Very low131 Ų131136.8 Ų136.869%0.68677%0.769SS**  5295.575.9-88.4157.9000113E1562L1560-E1562 HydrophobicContact CD2-CG 3.75Å
1561G32.8Very low29.5Very low75 Ų75140.5 Ų140.577%0.77377%0.772SS**  -94.2147.4128.100000107.6
1562E28.7Very low29.3Very low182 Ų182141.5 Ų141.585%0.8577%0.772SS**  trans-99139-170.1-70.9173.2133.800112.2L1560L1560-E1562 HydrophobicContact CD2-CG 3.75Å
1563G34.4Very low29.5Very low65 Ų65145 Ų14567%0.6778%0.779SS**  trans116.1106.6-172.800000112
1564D39.7Very low29.7Very low166 Ų166141.5 Ų141.589%0.88877%0.773SS**  cis-137145.7-1.2-78-55.8000111.9
1565K30.5Very low30.2Very low203 Ų203140.6 Ų140.688%0.88377%0.771SS**  trans-14185.7173.9-84.3-171.4173.8-178.70110.7
1566L32.2Very low30.4Very low157 Ų157142.9 Ų142.982%0.82278%0.778SS**  trans-155.246.1173.5-115.5164.5000114.8Y1568L1566-Y1568 HydrophobicContact CD2-CD2 4.38Å; L1566-Y1568 HydrophobicContact CD2-CE2 4.47Å
1567A38.8Very low30.8Very low95 Ų95140.3 Ų140.379%0.78577%0.768SS**  trans-149.562167.400000109.6
1568Y27.6Very low31.4Very low189 Ų189141 Ų14174%0.74177%0.774SS**  47.996.9100.3-99.9-91.1000112.5L1566L1566-Y1568 HydrophobicContact CD2-CD2 4.38Å; L1566-Y1568 HydrophobicContact CD2-CE2 4.47Å
1569A27.3Very low31.8Very low96 Ų96136.8 Ų136.879%0.79377%0.774SS**  62.351.962.700000113.6
1570V31.3Very low31.9Very low114 Ų114135 Ų13569%0.69177%0.772SS**  trans-127.4133.3168.8-179.70000109.2L1572V1570-L1572 PolarHBondContact O-N 3.23Å
1571E34.3Very low32.2Very low165 Ų165139.2 Ų139.277%0.77178%0.778SS**  trans51.353.6161.7-64.3-174.6173.300121.1R1573E1571-R1573 HydrophobicContact CG-CB 4.27Å; E1571-R1573 PolarHBondContact O-N 3.23Å; E1571-R1573 VanDerWaalsContact O-N 3.16Å
1572L28.3Very low32.1Very low156 Ų156142.9 Ų142.982%0.81777%0.773SS**  trans-75.469.7130.6-146.6174.8000108.7V1570 L1576V1570-L1572 PolarHBondContact O-N 3.23Å; L1572-L1576 HydrophobicContact CD2-CD1 4.37Å
1573R28.6Very low32.2Very low215 Ų215140.8 Ų140.881%0.81177%0.767SS**  trans-147.811-174.1-123.7174.2-148.7-122.41.8119.3E1571E1571-R1573 HydrophobicContact CG-CB 4.27Å; E1571-R1573 PolarHBondContact O-N 3.23Å; E1571-R1573 VanDerWaalsContact O-N 3.16Å
1574H31.8Very low32.2Very low193 Ų193146.4 Ų146.489%0.89478%0.776SS**SBendtrans-141.7135.3156.2-108.2-106.8000106.8
1575A33.8Very low31.9Very low66 Ų66145.5 Ų145.555%0.54577%0.771SS.*  cis-164.1134-24.100000104.2A1577A1575-A1577 HydrophobicContact CB-CB 4.11Å
1576L30.9Very low32.1Very low172 Ų172141.6 Ų141.690%0.90176%0.764SS**  cis58.621.49.1-72.5175.4000116L1572L1572-L1576 HydrophobicContact CD2-CD1 4.37Å
1577A30.7Very low32Very low60 Ų60142.6 Ų142.650%0.49676%0.762SS.*  trans-141.6133.5153.700000105.8A1575A1575-A1577 HydrophobicContact CB-CB 4.11Å
1578H36.8Very low31.8Very low189 Ų189145.9 Ų145.988%0.87577%0.765SS**SBendtrans59.9100.6-162.8-42.1-85.2000112.3
1579G32Very low32.1Very low80 Ų80145 Ų14583%0.82577%0.765SS**  cis82.9111.610.100000111.5
1580G32.2Very low32.3Very low67 Ų67146.8 Ų146.869%0.69176%0.761SS**  cis154.8-175.6-4.100000111.7
1581R33.7Very low32.2Very low218 Ų218152.2 Ų152.282%0.82377%0.77SS**  trans67.9164-179.8-53.2-179-179.9-1203.4114
1582F31.1Very low32Very low153 Ų153152.5 Ų152.567%0.67177%0.772SS**  cis-143.4147.6-23.1-113.6-158.5000103.4
1583L29.4Very low32Very low138 Ų138153.3 Ų153.372%0.72378%0.776SS**  68.243.352-131.5178.3000115.4
1584E34.5Very low31.9Very low183 Ų183147.4 Ų147.486%0.85577%0.766SS**  trans-153.3133148-101.1158-161.400104.2
1585D33.7Very low31.9Very low146 Ų146145.4 Ų145.478%0.78176%0.762SS**  cis-130.4130.531.6-154.7-16.7000113.1
1586V35.1Very low31.8Very low121 Ų121148.3 Ų148.373%0.73377%0.767SS**  trans-132.183.9175.5178.80000108.7
1587K30.5Very low31.8Very low179 Ų179146.6 Ų146.678%0.77876%0.757SS**  trans-167.341.4168.3-110.3146.5-164.1169.50119.5
1588L35.3Very low31.6Very low164 Ų164150.3 Ų150.386%0.85977%0.769SS**SBendtrans-141.976.1149.4-133.474.5000111.3
1589K32.5Very low31.1Very low171 Ų171146.9 Ų146.974%0.74377%0.765SS**  65.695.3106.5-69.2178-179.8178.80111.9
1590L33Very low31Very low133 Ų133149.8 Ų149.870%0.69677%0.771SS**  cis53.958.849.9-120.3175000111.1C1594L1590-C1594 HydrophobicContact CD2-CB 3.65Å
1591Y28Very low30.8Very low227 Ų227149.9 Ų149.989%0.8977%0.771SS**  trans-144.821.5158.3-137.6-89.6000114.1
1592Q30.1Very low30.4Very low172 Ų172142.2 Ų142.280%0.80476%0.761SS**SBendtrans-127.1138.9157.6-76.5-173.7-26.100107.9
1593L28.8Very low30.3Very low173 Ų173138.5 Ų138.591%0.90676%0.758SS**SBendtrans60.246.8175-65.6141.8000116.1
1594C26.8Very low30.3Very low90 Ų90138.4 Ų138.461%0.60876%0.758SS**  trans-136.569.3154.3-95.40000112.1L1590L1590-C1594 HydrophobicContact CD2-CB 3.65Å
1595L30.5Very low30Very low151 Ų151134.5 Ų134.579%0.79175%0.751SS**  trans-131.3119.3133.9-86.3114.9000106.1
1596I33Very low29.8Very low127 Ų127135.8 Ų135.865%0.65176%0.757SS**  69.390.269.6-63.9167.2000107.8
1597I30.4Very low29.5Very low137 Ų137137.7 Ų137.770%0.70376%0.762SS**  96.212975.4-84.1164.3000110.8
1598N27.3Very low29.5Very low138 Ų138137.7 Ų137.774%0.73877%0.765SS**  trans52124159.2-68.3-7.7000121.5
1599C26.4Very low29.2Very low117 Ų117139.1 Ų139.179%0.79177%0.765SS**  trans71.8166.5139.5-60.80000118.2
1600C28.2Very low29Very low141 Ų141142.2 Ų142.295%0.95377%0.772SS**  trans62.8149.9-162.4-59.40000112.5
1601G28.3Very low28.8Very low68 Ų68141.7 Ų141.770%0.70178%0.777SS**  cis147.41293.100000107.5
1602G26.4Very low28.8Very low58 Ų58138.1 Ų138.160%0.59877%0.769SS**  trans-81.4-177.2-170.100000115.3
1603A28Very low28.7Very low75 Ų75138.2 Ų138.262%0.6277%0.767SS**  trans93.3145.6159.200000120.1
1604D30.5Very low29Very low135 Ų135136.4 Ų136.472%0.72277%0.767SS**  trans66.692.1150.4-60.5-5.4000121.4
1605S28.2Very low29.4Very low102 Ų102142.5 Ų142.571%0.71378%0.779SS**SBendtrans-62.1143.9139.959.60000112.3
1606L29.7Very low29.8Very low172 Ų172139.6 Ų139.690%0.90177%0.769SS**  trans71.577.2156.7-61.5167.4000118.6
1607L27.3Very low29.9Very low161 Ų161142 Ų14284%0.84378%0.775SS**  trans-128149.6147.7-124.8170.2000110.1
1608Q30.3Very low29.8Very low180 Ų180142.7 Ų142.784%0.84178%0.779SS**  trans70.1104.1-169.9-53-176.2-1200113.5
1609K29.7Very low30Very low194 Ų194143.1 Ų143.184%0.84378%0.777SS**  cis64.6105.448.3-69.4-175.8172.81710116.2
1610R27.6Very low30.2Very low236 Ų236147.7 Ų147.789%0.89178%0.777SS**  trans62.498.5142.2-69.6-178.1165.1180-5.6119.7
1611C30.2Very low30.2Very low121 Ų121146.9 Ų146.982%0.81877%0.768SS**  179120.8104-92.90000106.6
1612E27.3Very low30.6Very low152 Ų152148.8 Ų148.871%0.7177%0.767SS**  65.9127.655.6-148.5-162-93.100113.7
1613K28.9Very low30.5Very low175 Ų175152 Ų15276%0.76178%0.78SS**  trans71.592.9176.5-54.5-178.517582.80117.7
1614C34.7Very low30.4Very low135 Ų135153 Ų15391%0.91279%0.788SS**  -174.687.6117.1-103.10000113.1
1615Y33.7Very low30.1Very low217 Ų217153 Ų15385%0.85179%0.793SS**  trans-66.5173159.5-121.8-121.4000109.9
1616P40.7Very low29.9Very low91 Ų91159.1 Ų159.159%0.59180%0.802SS**  cis-150.5-177.522.946.3-27.1000119
1617K33.6Very low29.6Very low177 Ų177156.3 Ų156.377%0.7779%0.792SS**  trans73.1132.9160.8-57.6166.6-171.9177.80116.6
1618L29.8Very low29.5Very low152 Ų152158 Ų15880%0.79679%0.793SS**  cis-110.4131.9-8.6-75.887.8000108.2
1619Q31Very low29.4Very low147 Ų147152.8 Ų152.869%0.68778%0.777SS**  54.6137.484.3-62.3-168.6-4.700114.1
1620R29.2Very low29.3Very low213 Ų213152.2 Ų152.280%0.80478%0.777SS**  cis-172.5163.1-1.8-109.8176.9162.6178.4-7106.8
1621V28.1Very low29.2Very low124 Ų124147.6 Ų147.675%0.75277%0.769SS**  cis-167152.5-27119.90000107.2
1622P36.7Very low29.1Very low107 Ų107149.6 Ų149.670%0.69577%0.766SS**  trans-96.4172.2-175.738.6-36.7000115.3
1623C25.1Very low29.3Very low126 Ų126147.4 Ų147.485%0.85177%0.765SS**  trans72163165.7-650000118.6
1624A25.7Very low29.2Very low97 Ų97142.2 Ų142.280%0.80276%0.761SS**  trans76.5129.6172.400000118.8
1625T24.7Very low28.8Very low134 Ų134141.7 Ų141.782%0.82275%0.754SS**  trans-39.6127.5153.1-27.50000112.4
1626Y24.6Very low28.4Very low230 Ų230137.9 Ų137.990%0.90275%0.753SS**  trans-164.5143146.2-115.3-72.4000112.5
1627T23.5Very low27.7Very low113 Ų113143.1 Ų143.169%0.69376%0.762SS**  trans-102.1133.4177.249.80000111.7
1628F23.8Very low27.2Very low196 Ų196138.7 Ų138.786%0.8676%0.759SS**  trans160.5149.6145.9-104.8-137.1000108
1629S29Very low26.9Very low72 Ų72138.4 Ų138.450%0.50376%0.763SS.*  cis164.1124.6-20.853.50000104.7
1630Q26.5Very low26.7Very low182 Ų182141.8 Ų141.885%0.8577%0.77SS**SBendtrans-172.1128.9144.5-77.7-147800107.3
1631L26.5Very low26.5Very low139 Ų139137.7 Ų137.773%0.72877%0.768SS**SBendcis-132123.9-20.8-82.7132.2000105.9
1632H27.9Very low26.5Very low162 Ų162136.8 Ų136.875%0.7576%0.759SS**  75.8139.383-131.1-88.1000114
1633P30.9Very low26Very low107 Ų107135.8 Ų135.870%0.69576%0.76SS**  -116.6-175.6-53.243.4-31.1000109.2
1634G26.5Very low26.2Very low65 Ų65134.9 Ų134.967%0.6775%0.75SS**  cis89.9105.421.800000112.3
1635V27.7Very low26.2Very low125 Ų125141.3 Ų141.376%0.75875%0.754SS**  trans-172.9134.7151.5135.80000110.2Y1637V1635-Y1637 HydrophobicContact CG1-CD2 4.43Å
1636T25.9Very low26.3Very low137 Ų137143.1 Ų143.184%0.8476%0.757SS**  trans-118.695.9166.146.80000110.1
1637Y24.8Very low26.5Very low200 Ų200136.3 Ų136.378%0.78474%0.742SS**  trans-142.5133.3160.5-75.9-85.4000105V1635V1635-Y1637 HydrophobicContact CG1-CD2 4.43Å
1638A23.4Very low26.9Very low84 Ų84135.8 Ų135.869%0.69474%0.741SS**  66.913950.800000113.2
1639V22.9Very low27.1Very low146 Ų146132.6 Ų132.689%0.88574%0.738SS**  trans80.2138.8-178.4-167.50000115.3
1640R27.2Very low27.1Very low219 Ų219133.7 Ų133.783%0.82675%0.745SS**  trans-81.2-173.8178.2-67.2173.7167.1147-5.5111.5
1641V24.7Very low27.3Very low127 Ų127129.9 Ų129.977%0.7773%0.727SS**  trans117.9116.8146.5-177.60000114.4
1642N27.8Very low27.4Very low105 Ų105131 Ų13156%0.56173%0.729SS**  trans-34.3143165.3-57.7-59.8000116E1651N1642-E1651 VanDerWaalsContact ND2-CD 3.34Å; N1642-E1651 PolarHBondContact ND2-OE2 3.3Å
1643A26.3Very low27.3Very low86 Ų86128 Ų12871%0.71172%0.715SS**  179.1130107.200000114.4
1644V29.7Very low27Very low107 Ų107130.8 Ų130.865%0.64872%0.716SS**  46.4109.9127.1-1770000116.3
1645R26.4Very low27Very low231 Ų231131.3 Ų131.387%0.87271%0.71SS**SBendcis-144.7159.640.8-63.4178.1174.3149.1-0.7111.2
1646L25.6Very low26.9Very low173 Ų173132.6 Ų132.691%0.90671%0.712SS**SBendcis-85.9156.5-0.4-84.5165.1000113
1647C29.6Very low26.9Very low86 Ų86129.3 Ų129.358%0.58171%0.706SS**  trans-80.2165.9-178.3-69.10000112.1
1648P31.8Very low27Very low103 Ų103129 Ų12967%0.66971%0.709SS**  cis-137.4165.2-13.733.5-14.3000115.8
1649T27.8Very low27.1Very low129 Ų129130.5 Ų130.579%0.79171%0.705SS**  trans56.3147.6141.153.50000121.7
1650S30.2Very low27.2Very low94 Ų94131 Ų13166%0.65770%0.697SS**  cis-166.4135.5-18.148.90000107.3
1651E29.8Very low27.5Very low102 Ų102126.9 Ų126.948%0.47770%0.696SS.*  31120.495.2-73.8-157.7139.200115.2N1642N1642-E1651 VanDerWaalsContact ND2-CD 3.34Å; N1642-E1651 PolarHBondContact ND2-OE2 3.3Å
1652Q28.3Very low28Very low163 Ų163126.7 Ų126.776%0.76270%0.698SS**  163.7151.5114.9-88.1-153.335.200110.7
1653Q26.2Very low28.2Very low98 Ų98124.8 Ų124.846%0.45870%0.703SS.*  cis-168154.2-28.8-131.3-179.155.500107
1654K24.7Very low29Very low166 Ų166126.4 Ų126.472%0.72271%0.706SS**  trans61.6-178.7152.3-77.3174.6-177.6147.30116.1
1655S25.8Very low29.1Very low77 Ų77126.6 Ų126.654%0.53871%0.712SS.*  cis-160.9-179.8-48.958.20000108.9
1656D25Very low29.3Very low151 Ų151120.7 Ų120.781%0.80771%0.706SS**  trans46.7107.6151.6-43.6-37.6000119.1
1657G27.5Very low29.4Very low68 Ų68118.6 Ų118.670%0.70170%0.701SS**  trans179.687.916900000115.9
1658F26.7Very low29.3Very low193 Ų193118.6 Ų118.685%0.84671%0.707SS**  25.1129.6124.1-78.1-122000117
1659L25.6Very low29Very low117 Ų117120.1 Ų120.161%0.61371%0.714SS**  cis-169.3166.414-160.163.4000110.6
1660E25.1Very low28.9Very low156 Ų156123.4 Ų123.473%0.72972%0.718SS**  trans32.5115153.6-76.6148.6-148.500120.1
1661V32.1Very low28.6Very low133 Ų133124.2 Ų124.281%0.80672%0.719SS**  cis58.7128.544.3-172.30000112.3
1662P35.7Very low28.4Very low123 Ų123124.6 Ų124.680%0.79973%0.728SS**  cis-129.4-17316.233-10.9000116.2
1663G32.8Very low28.2Very low64 Ų64124.4 Ų124.466%0.6673%0.732SS**  trans-92-145.5159.700000112.1
1664P42.2Very low28.1Very low120 Ų120123.4 Ų123.478%0.77974%0.74SS**  cis-141.8-173.41.643.7-25.4000116.5
1665S32Very low28.5Very low112 Ų112118.7 Ų118.778%0.78373%0.728SS**  trans93.3134.5145.278.30000123.1
1666S30.6Very low29Very low106 Ų106117.8 Ų117.874%0.74172%0.72SS**  trans87.5132.2145.1-154.30000123.1
1667T28.8Very low29.3Very low129 Ų129114.1 Ų114.179%0.79170%0.703SS**  trans90.2141.4146.3-4.90000121.4
1668A27.3Very low29.4Very low87 Ų87122.5 Ų122.572%0.71971%0.714SS**  trans71.1104.2153.500000120.7
1669V25.3Very low29.8Very low135 Ų135118.5 Ų118.582%0.81870%0.701SS**  19.9111.5129.3-172.80000117.5
1670F25.1Very low30.1Very low198 Ų198122.7 Ų122.787%0.86871%0.709SS**  trans-152.9162.5130.9-125.5-84000111
1671T25Very low30.3Very low110 Ų110121 Ų12168%0.67571%0.709SS**  trans-79.7174.8179.551.40000113
1672T24.6Very low30.2Very low111 Ų111118.8 Ų118.868%0.68170%0.7SS**  trans122.3113.8135.2-43.30000115.3
1673L23.8Very low29.9Very low159 Ų159121.7 Ų121.783%0.83270%0.703SS**  trans46.9129.9151.6-61.3170.5000121.9
1674A25.2Very low29.7Very low76 Ų76124.9 Ų124.963%0.62871%0.709SS**  trans63.1113.7134.900000120.6
1675S31.3Very low29.2Very low68 Ų68125 Ų12548%0.47671%0.708SS.*  trans79161.9136.4-51.80000118.5A400A400-S1675 WeakPolarHBondContact CA-OG 3.43Å; A400-S1675 VanDerWaalsContact CB-CA 3.49Å; A400-S1675 VanDerWaalsContact CB-CB 3.43Å; A400-S1675 WeakPolarHBondContact CB-OG 3.39Å
1676P36.9Very low28.9Very low58 Ų58125.3 Ų125.338%0.37771%0.71SS.*  cis-137.7168.5-22.630.5-10000116.7A400 G401 D402A400-P1676 HydrophobicContact CB-CB 3.85Å; G401-P1676 WeakPolarHBondContact O-CB 3.47Å; D402-P1676 HydrophobicContact CB-CB 4.37Å; D402-P1676 HydrophobicContact CB-CG 3.48Å; D402-P1676 VanDerWaalsContact CB-CG 3.48Å
1677V31.9Very low29Very low74 Ų74124.9 Ų124.945%0.44871%0.713SS.*  trans27.9115.3138.6-176.90000119.3A400 N1679A400-V1677 WeakPolarHBondContact O-CG2 3.41Å; V1677-N1679 HydrophobicContact CG1-CB 3.92Å; V1677-N1679 VanDerWaalsContact CG1-CG 3.45Å; V1677-N1679 WeakPolarHBondContact CG1-ND2 3.25Å
1678R30.4Very low29Very low244 Ų244123.2 Ų123.292%0.92171%0.712SS**  -142.4116.7117.8-104.5167-175.2-178.4-0.1108.7
1679N33.6Very low29.1Very low108 Ų108125.2 Ų125.258%0.57872%0.716SS**  59.7128.858.8-83.5-12.3000113.2V1677V1677-N1679 HydrophobicContact CG1-CB 3.92Å; V1677-N1679 VanDerWaalsContact CG1-CG 3.45Å; V1677-N1679 WeakPolarHBondContact CG1-ND2 3.25Å
1680R32.6Very low29.2Very low205 Ų205126.8 Ų126.877%0.77472%0.719SS**  cis-167.7-174.7-1.7-141.7169.9-162.5-165.32.7111.5
1681T28.7Very low29.3Very low121 Ų121121.6 Ų121.674%0.74271%0.707SS**  trans68142.5151.645.10000118.8
1682S30.4Very low29.6Very low87 Ų87121.9 Ų121.961%0.60871%0.713SS**  cis-175.9142.2-14.243.20000111.1
1683E29.3Very low29.7Very low184 Ų184125.9 Ų125.986%0.8672%0.724SS**  trans63.2158.7157.4-63.4167-166.400115.2
1684V28.6Very low29.8Very low130 Ų130121.1 Ų121.179%0.78871%0.713SS**  cis-132.9165.223.9170.70000111.3
1685T31.1Very low29.9Very low123 Ų123123.6 Ų123.676%0.75572%0.721SS**  trans-74.3178.9179.943.40000115.8
1686S27.3Very low29.7Very low118 Ų118127.9 Ų127.983%0.82573%0.733SS**  trans85155.5161.680.60000118.5
1687A31.4Very low29.2Very low97 Ų97131.7 Ų131.780%0.80275%0.75SS**  cis179.9129.8-42.900000108.1
1688A29.9Very low28.8Very low95 Ų95133.4 Ų133.479%0.78576%0.761SS**  trans-157.489.2166.300000112.3
1689T28.3Very low28.6Very low129 Ų129131.4 Ų131.479%0.79176%0.759SS**  16.3125.6124.953.30000120
1690L27.8Very low28.2Very low168 Ų168129.4 Ų129.488%0.8876%0.763SS**  trans165.4136131.2-87.6158.4000106.9
1691S27.5Very low27.9Very low88 Ų88125.3 Ų125.362%0.61577%0.766SS**  cis170.5101.3-1644.40000106
1692S31.1Very low27.8Very low116 Ų116130 Ų13081%0.81177%0.772SS**  trans-174.8111.4164.94.20000105.2
1693E25.7Very low27.6Very low195 Ų195137.2 Ų137.291%0.91179%0.786SS**  cis64.9110.318.6-133.8-177.5-135.900113.7
1694G26.3Very low27.5Very low59 Ų59131.6 Ų131.661%0.60878%0.778SS**  trans108.8119.3166.200000116.8
1695T27.1Very low27.4Very low128 Ų128133.1 Ų133.179%0.78578%0.78SS**  trans67.6154151.367.10000118.7
1696Q26.9Very low27.3Very low158 Ų158132.3 Ų132.374%0.73878%0.775SS**  cis-152.2138.6-22.1-109.1-17836.500107
1697L26.5Very low27.3Very low138 Ų138133.3 Ų133.372%0.72377%0.771SS**  49.1123.497.9-83164000117
1698T25.1Very low27.1Very low110 Ų110135.3 Ų135.368%0.67577%0.769SS**  trans68.4152153.863.40000118.3
1699K26.2Very low27.1Very low203 Ų203138.1 Ų138.188%0.88377%0.766SS**  cis-167.4152.3-11.4-106.9165.1-175.8177.70105.5
1700G25Very low27Very low65 Ų65140.7 Ų140.767%0.6777%0.766SS**  cis-143.4-165-11.200000107.8
1701S26.5Very low27Very low119 Ų119136.3 Ų136.383%0.83275%0.754SS**  cis67.670.311.7-62.10000117
1702Y25.6Very low27Very low221 Ų221143 Ų14387%0.86777%0.766SS**  trans-135.9138.6142.9-91.9-88.3000105.8
1703R25.9Very low26.9Very low237 Ų237143.1 Ų143.189%0.89476%0.762SS**  cis64.5108.342.6-79.3-163.6174.7-140.71.7114.1
1704G27.4Very low27.1Very low67 Ų67141 Ų14169%0.69176%0.755SS**  trans139.9115.3-178.100000107.1
1705L27Very low27.4Very low161 Ų161144.1 Ų144.184%0.84376%0.757SS**  cis68.1128.342.4-66.3160.7000114.4
1706T29.4Very low27.8Very low106 Ų106145.5 Ų145.565%0.6576%0.758SS**  trans63.3122.4146.850.60000120.1
1707D26.3Very low28Very low139 Ų139140 Ų14074%0.74374%0.743SS**  trans71133.5131.1-52.2-24.4000118.8
1708N28.4Very low28.3Very low139 Ų139140.8 Ų140.874%0.74374%0.741SS**  64.692.363.7-94.2-16.8000114.2
1709Q28.3Very low28.9Very low155 Ų155141.2 Ų141.272%0.72474%0.744SS**  trans71.2164.1156.5-50.9-172.16.500118.2
1710F26.4Very low29.5Very low182 Ų182137.8 Ų137.880%0.79873%0.734SS**  trans66.5137.8174.3-63-81.7000117.1
1711A27.6Very low30Very low76 Ų76138.2 Ų138.263%0.62872%0.724SS**  cis-151.4137.8-11.600000109.7
1712W28.4Very low30.7Very low229 Ų229135.4 Ų135.487%0.86771%0.708SS**  84.6144.799.7-85.956.2000118.1
1713V28.3Very low31.6Very low119 Ų119127 Ų12772%0.72169%0.688SS**  trans69.5132.5172.5-149.60000116.7
1714I30.9Very low32.5Very low151 Ų151119.2 Ų119.277%0.77467%0.667SS**SBendtrans59.191.8-178.1-37.3-178000112.5
1715L31.9Very low33.4Very low123 Ų123120.3 Ų120.364%0.64466%0.656SS**SBendcis-146.13444.9-131.5164.5000113.7G1717 F1718L1715-G1717 PolarHBondContact O-N 2.81Å; L1715-F1718 HydrophobicContact CD2-CB 4.35Å; L1715-F1718 HydrophobicContact CD2-CD2 4.14Å
1716I36.6Very low34.4Very low158 Ų158115 Ų11581%0.8164%0.636SS**THydrogen-bonded Turntrans-59.9105.1154.8-63175.4000106.2
1717G30.7Very low35.4Very low41 Ų41117 Ų11742%0.42363%0.632SS.*THydrogen-bonded Turntrans166.5-22.1-170.500000115.7L1715L1715-G1717 PolarHBondContact O-N 2.81Å
1718F33.5Very low36.6Very low155 Ų155114.8 Ų114.868%0.6862%0.619SS**SBendtrans-110.7-31.7176.7-102.3-94.5000115L1715 L1720 V1721 A1722L1715-F1718 HydrophobicContact CD2-CB 4.35Å; L1715-F1718 HydrophobicContact CD2-CD2 4.14Å; F1718-L1720 VanDerWaalsContact C-N 3.35Å; F1718-L1720 PolarHBondContact O-N 3.18Å; F1718-V1721 PolarHBondContact O-N 3.26Å; F1718-A1722 WeakPolarHBondContact O-CB 3.45Å; F1718-A1722 PolarHBondContact O-N 3.45Å
1719T37.2Very low37.8Very low120 Ų120112.6 Ų112.674%0.73661%0.607SS**Hα-helixtrans-76.2-16.1179.638.70000114.8
1720L38.3Very low38.6Very low130 Ų130112 Ų11268%0.68160%0.604SS**Hα-helixtrans-97.1-4169.9-91.8164.5000114F1718 V1724F1718-L1720 VanDerWaalsContact C-N 3.35Å; F1718-L1720 PolarHBondContact O-N 3.18Å; L1720-V1724 VanDerWaalsContact O-CG2 3.24Å; L1720-V1724 WeakPolarHBondContact O-CG2 3.25Å
1721V36.1Very low39.6Very low74 Ų74110 Ų11045%0.44860%0.595SS.*Hα-helixtrans-101-40.9171.7177.70000110.3F1718 V1724 I1725F1718-V1721 PolarHBondContact O-N 3.26Å; V1721-V1724 PolarHBondContact O-N 2.78Å; V1721-I1725 HydrophobicContact CG1-CD1 3.68Å; V1721-I1725 HydrophobicContact CG1-CG1 4.32Å; V1721-I1725 WeakPolarHBondContact O-CB 3.44Å; V1721-I1725 VanDerWaalsContact O-CG1 3.27Å; V1721-I1725 WeakPolarHBondContact O-CG1 3.41Å; V1721-I1725 PolarHBondContact O-N 3.09Å
1722A41.6Very low40.4Very low61 Ų61111.3 Ų111.350%0.50460%0.595SS.*Hα-helixtrans-62.2-43.7175.200000112.7F1718 I1725 A1726F1718-A1722 WeakPolarHBondContact O-CB 3.45Å; F1718-A1722 PolarHBondContact O-N 3.45Å; A1722-I1725 PolarHBondContact O-N 2.8Å; A1722-A1726 WeakPolarHBondContact O-CB 3.39Å; A1722-A1726 PolarHBondContact O-N 2.6Å
1723G43.2Very low41.4Very low43 Ų43106.7 Ų106.744%0.44359%0.585SS.*Hα-helixtrans-66.7-39.6177.500000113.3A1726 Y1727G1723-A1726 PolarHBondContact O-N 3.44Å; G1723-Y1727 WeakPolarHBondContact O-CB 3.22Å; G1723-Y1727 PolarHBondContact O-N 3.09Å
1724V45.6Very low41.9Very low74 Ų74105.2 Ų105.245%0.44859%0.586SS.*Hα-helixtrans-72-35.2177.1174.90000111.4L1720 V1721 I1728L1720-V1724 VanDerWaalsContact O-CG2 3.24Å; L1720-V1724 WeakPolarHBondContact O-CG2 3.25Å; V1721-V1724 PolarHBondContact O-N 2.78Å; V1724-I1728 HydrophobicContact CG1-CD1 3.79Å; V1724-I1728 HydrophobicContact CG1-CG1 4.43Å; V1724-I1728 WeakPolarHBondContact O-CB 3.46Å; V1724-I1728 WeakPolarHBondContact O-CG1 3.43Å; V1724-I1728 PolarHBondContact O-N 2.82Å
1725I46Very low42Very low91 Ų91100.4 Ų100.447%0.46757%0.574SS.*Hα-helixtrans-67.7-39.8172.3-72.1174.6000111.1V1721 A1722 I1728 I1729V1721-I1725 HydrophobicContact CG1-CD1 3.68Å; V1721-I1725 HydrophobicContact CG1-CG1 4.32Å; V1721-I1725 WeakPolarHBondContact O-CB 3.44Å; V1721-I1725 VanDerWaalsContact O-CG1 3.27Å; V1721-I1725 WeakPolarHBondContact O-CG1 3.41Å; V1721-I1725 PolarHBondContact O-N 3.09Å; A1722-I1725 PolarHBondContact O-N 2.8Å; I1725-I1728 PolarHBondContact O-N 3.17Å; I1725-I1729 HydrophobicContact CG2-CD1 3.65Å; I1725-I1729 HydrophobicContact CG2-CG1 4.34Å; I1725-I1729 WeakPolarHBondContact O-CB 3.33Å; I1725-I1729 WeakPolarHBondContact O-CG1 3.4Å; I1725-I1729 PolarHBondContact O-N 2.74Å
1726A47.4Very low42Very low50 Ų50105.7 Ų105.741%0.41360%0.602SS.*Hα-helixtrans-61-49.6173.200000111.6A1722 G1723 I1728 I1729 E1730A1722-A1726 WeakPolarHBondContact O-CB 3.39Å; A1722-A1726 PolarHBondContact O-N 2.6Å; G1723-A1726 PolarHBondContact O-N 3.44Å; A1726-I1728 VanDerWaalsContact C-N 3.32Å; A1726-I1728 PolarHBondContact O-N 3.4Å; A1726-I1729 PolarHBondContact O-N 2.73Å; A1726-I1729 VanDerWaalsContact O-N 3.08Å; A1726-E1730 PolarHBondContact O-N 3.37Å
1727Y50.4Low42.2Very low148 Ų148103.1 Ų103.158%0.5859%0.592SS**Hα-helixtrans-59.7-39.1177.5-173.4-100000113G1723 K1731G1723-Y1727 WeakPolarHBondContact O-CB 3.22Å; G1723-Y1727 PolarHBondContact O-N 3.09Å; Y1727-K1731 HydrophobicContact CE1-CG 4.35Å; Y1727-K1731 WeakPolarHBondContact O-CB 3.25Å; Y1727-K1731 WeakPolarHBondContact O-CG 3.45Å; Y1727-K1731 PolarHBondContact O-N 2.86Å
1728I52Low42.8Very low91 Ų91106.3 Ų106.347%0.46760%0.601SS.*Hα-helixtrans-70-38.5174.2-71.4169.8000111.2V1724 I1725 A1726 K1731 V1732V1724-I1728 HydrophobicContact CG1-CD1 3.79Å; V1724-I1728 HydrophobicContact CG1-CG1 4.43Å; V1724-I1728 WeakPolarHBondContact O-CB 3.46Å; V1724-I1728 WeakPolarHBondContact O-CG1 3.43Å; V1724-I1728 PolarHBondContact O-N 2.82Å; I1725-I1728 PolarHBondContact O-N 3.17Å; A1726-I1728 VanDerWaalsContact C-N 3.32Å; A1726-I1728 PolarHBondContact O-N 3.4Å; I1728-K1731 PolarHBondContact O-N 3.04Å; I1728-V1732 HydrophobicContact CG2-CG2 4.03Å; I1728-V1732 VanDerWaalsContact O-CB 3.23Å; I1728-V1732 WeakPolarHBondContact O-CB 3.02Å; I1728-V1732 WeakPolarHBondContact O-CG2 3.16Å; I1728-V1732 PolarHBondContact O-N 3.21Å
1729I54.4Low43.4Very low94 Ų94103.6 Ų103.648%0.48260%0.597SS.*Hα-helixtrans-64.8-44.7177.5-74.9169.5000110.9I1725 A1726 V1732 I1733I1725-I1729 HydrophobicContact CG2-CD1 3.65Å; I1725-I1729 HydrophobicContact CG2-CG1 4.34Å; I1725-I1729 WeakPolarHBondContact O-CB 3.33Å; I1725-I1729 WeakPolarHBondContact O-CG1 3.4Å; I1725-I1729 PolarHBondContact O-N 2.74Å; A1726-I1729 PolarHBondContact O-N 2.73Å; A1726-I1729 VanDerWaalsContact O-N 3.08Å; I1729-V1732 PolarHBondContact O-N 3.39Å; I1729-I1733 HydrophobicContact CG2-CD1 3.7Å; I1729-I1733 WeakPolarHBondContact O-CB 3.09Å; I1729-I1733 VanDerWaalsContact O-CG1 3.28Å; I1729-I1733 WeakPolarHBondContact O-CG1 3.47Å; I1729-I1733 PolarHBondContact O-N 3.28Å
1730E44.4Very low43.7Very low142 Ų142102.6 Ų102.666%0.66459%0.588SS**Hα-helixtrans-62.4-46.2173.8-71.4-170.4107.600112.2A1726 V1732 I1733 A1734A1726-E1730 PolarHBondContact O-N 3.37Å; E1730-V1732 VanDerWaalsContact C-N 3.32Å; E1730-V1732 PolarHBondContact O-N 3.43Å; E1730-I1733 PolarHBondContact O-N 2.93Å; E1730-A1734 WeakPolarHBondContact O-CB 3.49Å; E1730-A1734 PolarHBondContact O-N 2.71Å
1731K47.3Very low44.1Very low141 Ų141100.9 Ų100.961%0.61358%0.583SS**Hα-helixtrans-70.5-21.7-179.9-77.5-70.2-177-175.90114.6Y1727 I1728Y1727-K1731 HydrophobicContact CE1-CG 4.35Å; Y1727-K1731 WeakPolarHBondContact O-CB 3.25Å; Y1727-K1731 WeakPolarHBondContact O-CG 3.45Å; Y1727-K1731 PolarHBondContact O-N 2.86Å; I1728-K1731 PolarHBondContact O-N 3.04Å
1732V44.6Very low44.6Very low102 Ų102102.7 Ų102.762%0.61859%0.592SS**Hα-helixtrans-89.3-29.9175.2170.80000111.9I1728 I1729 E1730I1728-V1732 HydrophobicContact CG2-CG2 4.03Å; I1728-V1732 VanDerWaalsContact O-CB 3.23Å; I1728-V1732 WeakPolarHBondContact O-CB 3.02Å; I1728-V1732 WeakPolarHBondContact O-CG2 3.16Å; I1728-V1732 PolarHBondContact O-N 3.21Å; I1729-V1732 PolarHBondContact O-N 3.39Å; E1730-V1732 VanDerWaalsContact C-N 3.32Å; E1730-V1732 PolarHBondContact O-N 3.43Å
1733I48.4Very low44.8Very low132 Ų132105.7 Ų105.768%0.67760%0.598SS**Hα-helixtrans-76-29.9173.9-68.8172.9000111.4I1729 E1730 G1735I1729-I1733 HydrophobicContact CG2-CD1 3.7Å; I1729-I1733 WeakPolarHBondContact O-CB 3.09Å; I1729-I1733 VanDerWaalsContact O-CG1 3.28Å; I1729-I1733 WeakPolarHBondContact O-CG1 3.47Å; I1729-I1733 PolarHBondContact O-N 3.28Å; E1730-I1733 PolarHBondContact O-N 2.93Å; I1733-G1735 PolarHBondContact O-N 3.5Å
1734A39.9Very low44.9Very low89 Ų89110.5 Ų110.574%0.73661%0.61SS**THydrogen-bonded Turntrans-75.330.317100000114.1E1730E1730-A1734 WeakPolarHBondContact O-CB 3.49Å; E1730-A1734 PolarHBondContact O-N 2.71Å
1735G32.9Very low44.9Very low50 Ų50113.6 Ų113.652%0.51562%0.623SS.*THydrogen-bonded Turntrans-149.313-160.700000118.5I1733I1733-G1735 PolarHBondContact O-N 3.5Å
1736N31.2Very low44.8Very low233 Ų233115.6 Ų115.6100%1.24664%0.637SS**  trans-162.40163.7-101.4-45.1000111.4

Retrieved 1,736 of 1,736 residues in 623.8 ms (Link to these results)