A0A087X673_POEFO Loading...

Collagen, type VIII, alpha 2

AlphaFold DB , UniProt , Accession A0A087X673, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 691 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V54.4Low50.5Low173 Ų173142.8 Ų142.8100%1.04874%0.738SS**  0-25.50-178.50000112.8
2Y46.5Very low50.5Low221 Ų221141.7 Ų141.787%0.86773%0.733SS**  trans-80.2-15.3174.2-87.2-87.5000116.2
3E48.4Very low50.3Low182 Ų182140.6 Ų140.685%0.8573%0.728SS**Hα-helixtrans-87-17.5175.1-101.6178.5147.800114.9
4K50.6Low50.1Low188 Ų188135.6 Ų135.682%0.81772%0.717SS**Hα-helixtrans-88.4-8.2178.3-84.9-169.7174.7-1760114.3
5L50.9Low50Low124 Ų124131.6 Ų131.665%0.64970%0.702SS**Hα-helixtrans-91.6-25.8176.4-145.275.1000112.7
6G52.3Low49.8Very low45 Ų45129.6 Ų129.646%0.46470%0.696SS.*Hα-helixtrans-71.3-30.1177.300000114.3T10G6-T10 PolarHBondContact O-OG1 3.48Å
7M48.4Very low49.5Very low152 Ų152128 Ų12875%0.74970%0.696SS**Hα-helixtrans-76.1-24.1178.6-106.6177.367.500113.9
8L47.2Very low49.4Very low125 Ų125126.3 Ų126.365%0.65469%0.69SS**Hα-helixtrans-81.9-31.6-176.4-149.186.7000112.9
9V50.4Low49.1Very low96 Ų96127.5 Ų127.558%0.58270%0.695SS**Hα-helixtrans-78.3-30.1-179.9-178.80000111.4M11V9-M11 PolarHBondContact O-N 3.46Å
10T53.8Low48.7Very low110 Ų110128.7 Ų128.768%0.67570%0.7SS**Hα-helixtrans-76.1-21-179.7-34.20000113.1G6G6-T10 PolarHBondContact O-OG1 3.48Å
11M52.4Low48.4Very low155 Ų155130.5 Ų130.576%0.76471%0.706SS**THydrogen-bonded Turntrans-86.9-9.6177.3-76.5-143.288.600115.3V9V9-M11 PolarHBondContact O-N 3.46Å
12L50.8Low47.9Very low129 Ų129129.5 Ų129.568%0.67569%0.694SS**THydrogen-bonded Turntrans-100.7-17.2-176.3-95.5154000114.8
13L48.3Very low47.5Very low128 Ų128123 Ų12367%0.6769%0.693SS**SBendtrans-98.3-17-178.1-95.1136000114.5P15L13-P15 VanDerWaalsContact C-CD 3.5Å
14A46.9Very low46.9Very low70 Ų70117.4 Ų117.458%0.57969%0.685SS**THydrogen-bonded Turntrans-70.9-31178.900000116.2
15P48.3Very low46.2Very low76 Ų76120.2 Ų120.249%0.49469%0.69SS.*THydrogen-bonded Turntrans-88.7-13.6-174.823.8-15.1000114.8L13L13-P15 VanDerWaalsContact C-CD 3.5Å
16V46.3Very low45.4Very low100 Ų100118.5 Ų118.561%0.60669%0.694SS**Hα-helixtrans-76.8-27.6-180-177.60000111.6V18V16-V18 VanDerWaalsContact C-N 3.33Å; V16-V18 PolarHBondContact O-N 3.05Å
17C46Very low44.5Very low102 Ų102126.8 Ų126.869%0.68972%0.718SS**Hα-helixtrans-74.4-15.4176.4-77.10000114.5
18V47.6Very low43.7Very low97 Ų97124.5 Ų124.559%0.58872%0.723SS**Hα-helixtrans-89.7-22.8178.8-179.60000112.2V16V16-V18 VanDerWaalsContact C-N 3.33Å; V16-V18 PolarHBondContact O-N 3.05Å
19L43.1Very low42.8Very low150 Ų150122.3 Ų122.379%0.78573%0.731SS**Hα-helixtrans-84-16.1-175.9-123.892.1000115.4
20L40.8Very low41.7Very low151 Ų151121.1 Ų121.179%0.79174%0.738SS**THydrogen-bonded Turntrans-92.7-6.2179.6-85.1163.1000114.3
21M43.6Very low40.5Very low167 Ų167127 Ų12782%0.82375%0.749SS**SBendtrans-103.26-176.9-70.2-66.2-120.600114.9
22L43.4Very low39.8Very low152 Ų152124.8 Ų124.880%0.79675%0.747SS**SBendtrans-129.410.6-177.4-82.3162.1000115.4G24L22-G24 PolarHBondContact O-N 3.36Å
23G37.8Very low39.3Very low83 Ų83124.1 Ų124.186%0.85675%0.75SS**  trans-91.533.6-174.500000116.4
24G36.5Very low38.5Very low65 Ų65125.9 Ų125.967%0.6776%0.758SS**  trans-133.286.917900000112.9L22L22-G24 PolarHBondContact O-N 3.36Å
25R34.7Very low38.2Very low247 Ų247127.7 Ų127.793%0.93276%0.764SS**  trans170.6136.9138-95.2167.9-177.1-164.91.7113.1
26A34.4Very low37.3Very low89 Ų89131.7 Ų131.774%0.73678%0.776SS**  trans74.9107.7152.200000119.8
27F34.3Very low36.6Very low219 Ų219133.5 Ų133.596%0.96179%0.787SS**  -145.5120.8126.3-104.5-79.1000109.6
28A31.1Very low35.8Very low103 Ų103136.5 Ų136.585%0.85179%0.788SS**  trans-101.2144.2171.600000109.1
29G29.1Very low34.9Very low80 Ų80143.1 Ų143.183%0.82580%0.804SS**  trans-173.8108.5167.700000111
30G26.8Very low34.1Very low71 Ų71143 Ų14373%0.73280%0.801SS**  trans-71.2177.7175.300000112.7
31Y28.8Very low33.7Very low232 Ų232142.4 Ų142.491%0.9180%0.795SS**  cis-164.4-174.724.7-94.1-94.7000106.3
32P36.9Very low33.7Very low110 Ų110139.4 Ų139.471%0.71479%0.788SS**  cis-125.8176-36.136.9-20.5000112.7
33P40Very low33Very low114 Ų114139.6 Ų139.674%0.7479%0.786SS**  trans-116.6159.9169.437.9-26.3000113.8
34I31.2Very low32.6Very low166 Ų166144.7 Ų144.785%0.85179%0.79SS**  trans162.3152.3155.5-85.2155000108.7
35P41.9Very low32.5Very low108 Ų108151.9 Ų151.970%0.70180%0.803SS**  cis-129.4163.1-7.122.31000117.9
36H29.8Very low32.2Very low159 Ų159143.4 Ų143.474%0.73679%0.792SS**  trans16.3139.1143.3-75.1-68.4000123.9
37V30.1Very low32.4Very low138 Ų138145.5 Ų145.584%0.83680%0.799SS**  -149.6134.9109.1-174.20000111.3
38K29Very low33Very low165 Ų165142.1 Ų142.172%0.71780%0.795SS**  trans-87.6149.2172.2-75.4172.2172.8174.60111.2
39Y29.2Very low32.9Very low236 Ų236140.3 Ų140.393%0.92579%0.787SS**  trans-138.2125.4143.6-109.6-87.8000110.7
40M27.4Very low33.3Very low147 Ų147142.7 Ų142.772%0.72479%0.788SS**  trans-112.6137.8170.4-118.4169.788.500105
41Q32.2Very low34.2Very low140 Ų140144.5 Ų144.565%0.65479%0.787SS**  145.5178.385.8-116.1-167.1-4.800107.6
42P44.2Very low34.4Very low104 Ų104142.2 Ų142.268%0.67578%0.782SS**  cis-140.5158.66242.6000119.6
43M27.1Very low34.2Very low155 Ų155148.8 Ų148.876%0.76479%0.793SS**  trans55.3130.2133.7-63.5177.760.200124.8
44M29.9Very low34.3Very low190 Ų190151.9 Ų151.994%0.93680%0.797SS**  -168.3153.495.7-112.8164.515400113.1
45K34.4Very low34.4Very low216 Ų216147.6 Ų147.694%0.93979%0.794SS**  trans-119.8149.1-163.3-128.6-175.1-172.5-178.80111.8
46G28.8Very low34.3Very low69 Ų69153 Ų15371%0.71181%0.806SS**  trans132.8158.7144.500000116
47P39Very low34.4Very low134 Ų134148.6 Ų148.687%0.8780%0.804SS**  cis-124.3178.8-16.535.8-16.9000114.1
48V45.5Very low34.4Very low147 Ų147151.7 Ų151.789%0.89181%0.809SS**  trans-87149.3-163.6171.90000113.6
49G29.9Very low35Very low65 Ų65153.9 Ų153.967%0.6782%0.815SS**  trans-127153.1161.400000111.1
50P37Very low35Very low130 Ų130149.1 Ų149.184%0.84481%0.81SS**  trans-87.8169.6-143.634.9-36.7000116.5
51P45.8Very low35.3Very low110 Ų110149 Ų14971%0.71481%0.812SS**  trans-106.7155.8-160.533.4-20000116.2
52F34.2Very low35.4Very low183 Ų183150.7 Ų150.780%0.80382%0.822SS**  trans47.6130147.7-83.8-92.9000122.4
53R31.9Very low35.3Very low249 Ų249151.4 Ų151.494%0.9483%0.826SS**  -157.6121.1124.5-127.2-179.1-166-164.93.3112.9
54E41.8Very low36.1Very low179 Ų179149.9 Ų149.984%0.83683%0.828SS**  trans-76.6147.9158.5-71.9178.1151.400110
55G32.8Very low36.4Very low76 Ų76149.8 Ų149.878%0.78483%0.828SS**  trans-171.3115.5170.600000112.5
56K39.7Very low36.6Very low220 Ų220148.3 Ų148.396%0.95783%0.827SS**  trans-75.9145.8169.5-63.8180177.1-179.90110.4
57G32.6Very low37.2Very low68 Ų68154.9 Ų154.970%0.70184%0.835SS**  trans161.3102.316300000117.3
58H30.5Very low37.2Very low203 Ų203151.9 Ų151.994%0.9483%0.829SS**  trans52.9139.4134.4-72.159.7000123.9
59Y40.9Very low36.9Very low211 Ų211153.7 Ų153.783%0.82783%0.828SS**  trans-55.2141.3-176.6-149.9-94.7000117.6
60V30.1Very low37.5Very low136 Ų136156.8 Ų156.882%0.82484%0.836SS**  trans-161.3138.4136.9-149.60000112.7
61D32.7Very low38Very low145 Ų145153.8 Ų153.878%0.77583%0.829SS**  trans4146.4163.8-78.7-46.2000125.6
62M34.7Very low37.7Very low175 Ų175154.8 Ų154.886%0.86284%0.835SS**  trans-69.8157169.3-76.2-169.2-173.400114.5
63P41.3Very low38.5Very low118 Ų118155.2 Ų155.277%0.76684%0.84SS**  -131.6170.4103.510.711.9000114.1
64P44.9Very low39Very low124 Ų124146.5 Ų146.581%0.80583%0.827SS**  trans-82.6139.1-159.932.5-34000114.4
65M36.2Very low38.8Very low188 Ų188147.6 Ų147.693%0.92683%0.829SS**  trans-91.5123.2167.7-83.7-177.276.300111.9
66M38.6Very low39.6Very low185 Ų185150.2 Ų150.291%0.91183%0.832SS**  trans12.1125.2153.1-82.3173149.200121
67K40.4Very low39.8Very low206 Ų206142.7 Ų142.790%0.89682%0.818SS**PPolyproline II helixtrans-67.3127.2161-169.9179.7-172.5-178.60110.9
68G39.5Very low40.1Very low71 Ų71145.7 Ų145.773%0.73282%0.824SS**PPolyproline II helixtrans-79.3143.7173.400000113.3
69E40.3Very low41Very low186 Ų186147.8 Ų147.887%0.86982%0.824SS**PPolyproline II helixtrans-78.6155-172.9-65-178.5135.700114.4
70P42.6Very low41.2Very low129 Ų129140.1 Ų140.184%0.83881%0.81SS**PPolyproline II helixtrans-61.2143.5171-19.931.9000113.4
71G46Very low41.8Very low68 Ų68140 Ų14070%0.70181%0.811SS**PPolyproline II helixtrans-67153.1-179.200000114.7
72P39.4Very low42.5Very low131 Ų131138 Ų13885%0.85182%0.815SS**PPolyproline II helixtrans-72.5147.7-167.128.2-34.6000114.1
73Q51Low42.8Very low192 Ų192132.6 Ų132.690%0.89780%0.804SS**PPolyproline II helixtrans-59.9135.7176.6-173.1176.44.900112.2
74G43.3Very low42.9Very low65 Ų65132.8 Ų132.867%0.6781%0.806SS**PPolyproline II helixtrans-59.1144.5179.600000113.6
75K37.2Very low43.1Very low203 Ų203132.9 Ų132.988%0.88381%0.806SS**PPolyproline II helixtrans-64.5142-174.3-64.9-179.4-178.4177.40111.6
76P50.5Low43.4Very low130 Ų130127.4 Ų127.484%0.84480%0.798SS**PPolyproline II helixtrans-57.4140.4173-22.332.5000111.8
77G44Very low43.5Very low63 Ų63126.6 Ų126.665%0.64980%0.796SS**PPolyproline II helixtrans-61.1156.4177.400000113
78P38.7Very low43.8Very low130 Ų130122.5 Ų122.584%0.84479%0.791SS**PPolyproline II helixtrans-62141.2-176.525.3-32.7000111.5G80P78-G80 PolarHBondContact O-N 3.42Å
79R49.3Very low44.2Very low247 Ų247122.6 Ų122.693%0.93279%0.792SS**PPolyproline II helixtrans-65130.5176.7-174.6177.6177.8-177.2-0.7109.6
80G44.4Very low44.2Very low51 Ų51123.3 Ų123.353%0.52679%0.792SS.*PPolyproline II helixtrans-58.3156.8175.900000113P78P78-G80 PolarHBondContact O-N 3.42Å
81P41.9Very low44.5Very low132 Ų132123 Ų12386%0.85779%0.79SS**PPolyproline II helixtrans-59.8148.6-17724.4-32.7000111.8G83P81-G83 PolarHBondContact O-N 3.27Å
82A47.9Very low44.4Very low103 Ų103123.5 Ų123.585%0.85180%0.795SS**PPolyproline II helixtrans-63.2135177.800000110.6
83G42Very low44.8Very low62 Ų62124.9 Ų124.964%0.63980%0.795SS**PPolyproline II helixtrans-61.8153.1173.400000111.7P81P81-G83 PolarHBondContact O-N 3.27Å
84P41.9Very low44.5Very low123 Ų123119.1 Ų119.180%0.79979%0.786SS**PPolyproline II helixtrans-61.1149179.624.7-32.1000111.3
85P50.2Low44.5Very low126 Ų126124.7 Ų124.782%0.81879%0.792SS**PPolyproline II helixtrans-57139176-21.631.9000111.7
86G42.4Very low45.3Very low73 Ų73120.7 Ų120.775%0.75379%0.787SS**PPolyproline II helixtrans-60.7144172.900000111.5
87L39.6Very low45.2Very low167 Ų167118 Ų11887%0.87478%0.782SS**PPolyproline II helixtrans-57.1138.6178.8-69.3170.2000110.7G89L87-G89 PolarHBondContact O-N 3.3Å
88P48.3Very low45.1Very low120 Ų120123.3 Ų123.378%0.77980%0.795SS**PPolyproline II helixtrans-54.8130.2173.9-23.232.4000110.8K90P88-K90 PolarHBondContact O-N 3.24Å
89G47.2Very low45.8Very low73 Ų73124.7 Ų124.775%0.75380%0.795SS**PPolyproline II helixtrans-57.4134.2174.600000110.5L87L87-G89 PolarHBondContact O-N 3.3Å
90K41.3Very low45.8Very low201 Ų201116.3 Ų116.387%0.87479%0.786SS**PPolyproline II helixtrans-56.2135.8178.1-65.9-175.9179.2-177.20109.5P88 G92P88-K90 PolarHBondContact O-N 3.24Å; K90-G92 PolarHBondContact O-N 3.25Å
91P48Very low45.8Very low124 Ų124122.7 Ų122.781%0.80580%0.802SS**PPolyproline II helixtrans-54.8125.3172.9-22.231.5000109.8L93P91-L93 PolarHBondContact O-N 3.37Å; P91-L93 VanDerWaalsContact O-N 3.14Å
92G43.3Very low46.6Very low77 Ų77122.3 Ų122.379%0.79480%0.8SS**PPolyproline II helixtrans-62.2116173.900000109.4K90 G94K90-G92 PolarHBondContact O-N 3.25Å; G92-G94 PolarHBondContact O-N 3.13Å
93L48.5Very low46.8Very low161 Ų161120.4 Ų120.484%0.84379%0.79SS**  trans-74.882.8171.5-16776.4000108.2P91 K95P91-L93 PolarHBondContact O-N 3.37Å; P91-L93 VanDerWaalsContact O-N 3.14Å; L93-K95 PolarHBondContact O-N 3.47Å; L93-K95 VanDerWaalsContact O-N 3.08Å
94G43.9Very low47.3Very low70 Ų70123.8 Ų123.872%0.72280%0.8SS**  trans-65.2104.5166.900000108.5G92G92-G94 PolarHBondContact O-N 3.13Å
95K44.5Very low48.2Very low182 Ų182127.2 Ų127.279%0.79181%0.806SS**PPolyproline II helixtrans-62.5132.2169.6-63.2-176.9-179.2-176.20107.7L93 G97L93-K95 PolarHBondContact O-N 3.47Å; L93-K95 VanDerWaalsContact O-N 3.08Å; K95-G97 PolarHBondContact O-N 3.35Å
96P54.1Low48.3Very low120 Ų120124 Ų12478%0.77980%0.796SS**PPolyproline II helixtrans-50.8135.1167.8-23.332.5000109.4L98P96-L98 PolarHBondContact O-N 3.4Å
97G47.1Very low48.9Very low72 Ų72126.5 Ų126.574%0.74280%0.799SS**PPolyproline II helixtrans-54.8133.7176.700000110.2K95 N99K95-G97 PolarHBondContact O-N 3.35Å; G97-N99 PolarHBondContact O-N 3.25Å
98L42.6Very low49.8Very low175 Ų175124.7 Ų124.792%0.91680%0.797SS**PPolyproline II helixtrans-54.3127.9173.7-74.6160000108.7P96 G100P96-L98 PolarHBondContact O-N 3.4Å; L98-G100 PolarHBondContact O-N 3.32Å
99N53.6Low49.8Very low160 Ų160122.6 Ų122.686%0.85680%0.797SS**PPolyproline II helixtrans-49.6129.5168.6-97.49.8000108.5G97 Q101G97-N99 PolarHBondContact O-N 3.25Å; N99-Q101 PolarHBondContact O-N 3.37Å
100G49Very low49.8Very low71 Ų71129 Ų12973%0.73281%0.805SS**PPolyproline II helixtrans-52.8129.3178.700000110.3L98L98-G100 PolarHBondContact O-N 3.32Å
101Q43.8Very low50Low184 Ų184126.3 Ų126.386%0.8681%0.806SS**PPolyproline II helixtrans-59.2134175.6-69.6-166.3-22.400109.2N99 G103N99-Q101 PolarHBondContact O-N 3.37Å; Q101-G103 PolarHBondContact O-N 3.18Å
102P60.3Low49.9Very low125 Ų125124 Ų12481%0.81280%0.804SS**PPolyproline II helixtrans-52.1130.3169.6-23.632.9000109.5
103G51.9Low50.3Low63 Ų63129.2 Ų129.265%0.64981%0.812SS**PPolyproline II helixtrans-56.8145.8-179.600000111.2Q101 Q105Q101-G103 PolarHBondContact O-N 3.18Å; G103-Q105 PolarHBondContact O-N 3.49Å
104P52.3Low50.1Low132 Ų132124.6 Ų124.686%0.85780%0.803SS**PPolyproline II helixtrans-56.6135.7-179.322.5-31.7000110.6G106P104-G106 PolarHBondContact O-N 3.28Å
105Q59.6Low50.2Low195 Ų195131 Ų13191%0.91181%0.811SS**PPolyproline II helixtrans-56.9125.6178.8-165.7172.925.600109.5G103G103-Q105 PolarHBondContact O-N 3.49Å
106G52.5Low50.7Low59 Ų59128.8 Ų128.861%0.60882%0.815SS**PPolyproline II helixtrans-60.8147.6-179.300000111.9P104P104-G106 PolarHBondContact O-N 3.28Å
107P56Low50.4Low125 Ų125126.6 Ų126.681%0.81282%0.815SS**PPolyproline II helixtrans-61.7143.5-176.723-31.3000111.6G109P107-G109 PolarHBondContact O-N 3.41Å
108P58.5Low50.6Low129 Ų129131.2 Ų131.284%0.83882%0.822SS**PPolyproline II helixtrans-60123.9-178-20.731.2000111.9
109G47.6Very low51.4Low77 Ų77128.7 Ų128.779%0.79482%0.816SS**PPolyproline II helixtrans-74.8134.517800000112.5P107P107-G109 PolarHBondContact O-N 3.41Å
110F46.6Very low51.2Low208 Ų208124.6 Ų124.691%0.91281%0.811SS**PPolyproline II helixtrans-60.9145.8175.8-91.5-99.1000112.9G112F110-G112 PolarHBondContact O-N 3.35Å
111T46.1Very low51.4Low144 Ų144129.1 Ų129.188%0.88382%0.818SS**PPolyproline II helixtrans-61120.3178.648.50000112.4
112G46.1Very low52.1Low75 Ų75126.1 Ų126.177%0.77381%0.814SS**  trans-161.6120.1172.300000111.3F110F110-G112 PolarHBondContact O-N 3.35Å
113I51.3Low51.7Low186 Ų186123.6 Ų123.695%0.95481%0.812SS**  trans-61.5127.2-178.6-66.7158.6000110.9
114G44.6Very low51.7Low65 Ų65130.4 Ų130.467%0.6782%0.823SS**  trans162.697.4164.100000118.4
115K46.6Very low51.9Low203 Ų203132 Ų13288%0.88382%0.823SS**  trans64.5131.6154.3-59.3-174.8-178.9-179.30119.8G117K115-G117 PolarHBondContact O-N 3.36Å
116P54.3Low51.5Low136 Ų136125.2 Ų125.288%0.88381%0.805SS**PPolyproline II helixtrans-63.1131.5177.6-18.230.3000113
117G49.1Very low51.6Low75 Ų75128.4 Ų128.477%0.77382%0.816SS**PPolyproline II helixtrans-76.5149.2177.800000113.8K115K115-G117 PolarHBondContact O-N 3.36Å
118L50.8Low51.5Low168 Ų168130.1 Ų130.188%0.8882%0.818SS**PPolyproline II helixtrans-58.9141.5173-77.9147.5000111.4G120L118-G120 PolarHBondContact O-N 3.14Å
119P59.3Low50.9Low122 Ų122127.5 Ų127.579%0.79281%0.814SS**PPolyproline II helixtrans-55.9130.2174.5-22.932.5000111.6
120G50Low50.8Low74 Ų74132.3 Ų132.376%0.76382%0.818SS**PPolyproline II helixtrans-60.5135.7-178.600000112.6L118L118-G120 PolarHBondContact O-N 3.14Å
121L51.5Low51.2Low166 Ų166128.4 Ų128.487%0.86981%0.813SS**PPolyproline II helixtrans-56.2139.5175.4-73.2161.9000110.8G123L121-G123 PolarHBondContact O-N 3.44Å
122P59Low51.2Low121 Ų121124.7 Ų124.779%0.78680%0.804SS**PPolyproline II helixtrans-51.6133.5177-25.833.3000111.9K124P122-K124 PolarHBondContact O-N 3.44Å
123G52.7Low51.3Low73 Ų73128.2 Ų128.275%0.75381%0.81SS**PPolyproline II helixtrans-54.4132-178.500000111.8L121 I125L121-G123 PolarHBondContact O-N 3.44Å; G123-I125 PolarHBondContact O-N 3.02Å
124K51.3Low51.3Low205 Ų205126.9 Ų126.989%0.89181%0.805SS**PPolyproline II helixtrans-55126.9176.4-63.2-176.6179.9-175.50109.1P122 G126P122-K124 PolarHBondContact O-N 3.44Å; K124-G126 PolarHBondContact O-N 3.44Å
125I56.9Low51.4Low165 Ų165127 Ų12785%0.84681%0.807SS**PPolyproline II helixtrans-52.1124.3172.8-66.6170000107.8G123G123-I125 PolarHBondContact O-N 3.02Å
126G50.1Low51.4Low53 Ų53126.5 Ų126.555%0.54681%0.808SS.*PPolyproline II helixtrans-58.2143.7179.200000110.7K124 N128K124-G126 PolarHBondContact O-N 3.44Å; G126-N128 PolarHBondContact O-N 3.44Å
127P54.7Low51.4Low127 Ų127126.9 Ų126.983%0.82581%0.807SS**PPolyproline II helixtrans-57.3140.7177.924.3-32.4000110.2G129P127-G129 PolarHBondContact O-N 3.44Å
128N54.3Low51.3Low161 Ų161125.8 Ų125.886%0.86180%0.796SS**PPolyproline II helixtrans-48.9130.5173.8-91.5-2.7000109.9G126 M130G126-N128 PolarHBondContact O-N 3.44Å; N128-M130 PolarHBondContact O-N 3.21Å
129G45.3Very low51Low74 Ų74124 Ų12476%0.76380%0.795SS**PPolyproline II helixtrans-54.2133.8176.800000110.8P127P127-G129 PolarHBondContact O-N 3.44Å
130M46.2Very low50.8Low178 Ų178128.6 Ų128.688%0.87780%0.796SS**PPolyproline II helixtrans-56.2138.2178.5-67.3179.671.300109.8N128 G132N128-M130 PolarHBondContact O-N 3.21Å; M130-G132 PolarHBondContact O-N 3.31Å
131P55.8Low50.5Low125 Ų125128 Ų12881%0.81279%0.791SS**PPolyproline II helixtrans-51.7131.7173.1-23.632.3000109.9V133P131-V133 PolarHBondContact O-N 3.28Å
132G46.5Very low50.1Low67 Ų67128.9 Ų128.969%0.69179%0.79SS**PPolyproline II helixtrans-53.2134.2179.300000110.7M130 N134M130-G132 PolarHBondContact O-N 3.31Å; G132-N134 PolarHBondContact O-N 3.44Å; G132-N134 VanDerWaalsContact O-N 3.15Å
133V48.1Very low49.9Very low148 Ų148128.6 Ų128.690%0.89779%0.788SS**PPolyproline II helixtrans-53.3121.8178.2-126.30000108.6P131 G135P131-V133 PolarHBondContact O-N 3.28Å; V133-G135 PolarHBondContact O-N 2.91Å
134N50.6Low49.5Very low158 Ų158128.1 Ų128.185%0.84578%0.783SS**PPolyproline II helixtrans-52.9126.4171.8-82.5-16.6000107.9G132 E136G132-N134 PolarHBondContact O-N 3.44Å; G132-N134 VanDerWaalsContact O-N 3.15Å; N134-E136 PolarHBondContact O-N 2.97Å
135G47.3Very low49Very low69 Ų69124.6 Ų124.671%0.71178%0.781SS**PPolyproline II helixtrans-51134-179.900000110.5V133 V137V133-G135 PolarHBondContact O-N 2.91Å; G135-V137 PolarHBondContact O-N 3.46Å
136E46.2Very low48.8Very low192 Ų192127.4 Ų127.490%0.89778%0.781SS**PPolyproline II helixtrans-51.2127.1-180-67.3-175.7161.700109.5N134 G138N134-E136 PolarHBondContact O-N 2.97Å; E136-G138 PolarHBondContact O-N 3.41Å
137V54.2Low48.5Very low143 Ų143127.9 Ų127.987%0.86779%0.786SS**  trans-57.5115.9172.4177.30000106.3G135G135-V137 PolarHBondContact O-N 3.46Å
138G46Very low47.8Very low53 Ų53129.8 Ų129.855%0.54679%0.789SS.*PPolyproline II helixtrans-50.4144.4-178.400000111E136 R140E136-G138 PolarHBondContact O-N 3.41Å; G138-R140 PolarHBondContact O-N 3.43Å
139P46Very low48Very low131 Ų131127.3 Ų127.385%0.85178%0.781SS**PPolyproline II helixtrans-53.7131-173.121.3-32.2000109.9G141P139-G141 PolarHBondContact O-N 3.28Å; P139-G141 VanDerWaalsContact O-N 3.09Å
140R54.2Low48Very low217 Ų217126.7 Ų126.782%0.81978%0.775SS**PPolyproline II helixtrans-54.2119175.2-179.3179.4179.5179.7-1.3107.5G138 E142G138-R140 PolarHBondContact O-N 3.43Å; R140-E142 PolarHBondContact O-N 3.15Å
141G44.7Very low47.9Very low63 Ų63123.9 Ų123.965%0.64977%0.77SS**PPolyproline II helixtrans-49.8129.7178.500000110.3P139P139-G141 PolarHBondContact O-N 3.28Å; P139-G141 VanDerWaalsContact O-N 3.09Å
142E42.5Very low47.9Very low183 Ų183124 Ų12486%0.85577%0.771SS**PPolyproline II helixtrans-54.9132-177.4-67.5-167.8154.100109.5R140 G144R140-E142 PolarHBondContact O-N 3.15Å; E142-G144 PolarHBondContact O-N 3.26Å; E142-G144 VanDerWaalsContact O-N 3.13Å
143P54.3Low47.8Very low115 Ų115124.1 Ų124.175%0.74777%0.772SS**PPolyproline II helixtrans-53.4124.2170.3-22.132.4000108.4
144G44Very low47.5Very low63 Ų63123.6 Ų123.665%0.64977%0.769SS**PPolyproline II helixtrans-51145.3178.400000110.7E142 R146E142-G144 PolarHBondContact O-N 3.26Å; E142-G144 VanDerWaalsContact O-N 3.13Å; G144-R146 PolarHBondContact O-N 3.11Å
145P40.5Very low47.9Very low132 Ų132121.8 Ų121.886%0.85777%0.766SS**PPolyproline II helixtrans-53.8128.1-17320.7-31.6000109.8G147P145-G147 PolarHBondContact O-N 3.43Å; P145-G147 VanDerWaalsContact O-N 3.15Å
146R52.6Low47.9Very low223 Ų223121.5 Ų121.584%0.84276%0.763SS**PPolyproline II helixtrans-56.4121.9174.8-175.2176177-175.2-3.4107G144 L148G144-R146 PolarHBondContact O-N 3.11Å; R146-L148 PolarHBondContact O-N 3.36Å
147G44.4Very low47.8Very low63 Ų63118.6 Ų118.665%0.64976%0.761SS**PPolyproline II helixtrans-49.1136.7176.100000110P145P145-G147 PolarHBondContact O-N 3.43Å; P145-G147 VanDerWaalsContact O-N 3.15Å
148L40.9Very low47.3Very low167 Ų167117.2 Ų117.287%0.87476%0.764SS**PPolyproline II helixtrans-48.5129.8-178.2-70169.8000109.1R146 G150R146-L148 PolarHBondContact O-N 3.36Å; L148-G150 PolarHBondContact O-N 3.4Å
149P58Low47.2Very low109 Ų109117.9 Ų117.971%0.70877%0.771SS**PPolyproline II helixtrans-52133172.3-22.732.2000108.9
150G44.9Very low47Very low61 Ų61120.5 Ų120.563%0.62978%0.777SS**PPolyproline II helixtrans-53.9143.4173.100000109.6L148L148-G150 PolarHBondContact O-N 3.4Å
151P44.2Very low46.6Very low120 Ų120115.6 Ų115.678%0.77978%0.776SS**PPolyproline II helixtrans-53.5141.4-179.621.5-31.6000110G153P151-G153 PolarHBondContact O-N 3.25Å
152P56.5Low46.4Very low126 Ų126120.9 Ų120.982%0.81879%0.789SS**PPolyproline II helixtrans-52.4134.9175.4-23.131.9000110.1V154P152-V154 PolarHBondContact O-N 3.3Å
153G44.5Very low46.8Very low70 Ų70120.6 Ų120.672%0.72279%0.793SS**PPolyproline II helixtrans-55.9136.3174.700000110.2P151P151-G153 PolarHBondContact O-N 3.25Å
154V41.5Very low46.5Very low138 Ų138118.5 Ų118.584%0.83679%0.792SS**PPolyproline II helixtrans-52.9129177.3-129.70000108.8P152 G156P152-V154 PolarHBondContact O-N 3.3Å; V154-G156 PolarHBondContact O-N 3.39Å
155P58.7Low46.7Very low120 Ų120125.3 Ų125.378%0.77980%0.804SS**PPolyproline II helixtrans-52.2128.6176.3-26.234000110.3
156G48.3Very low47Very low63 Ų63125.1 Ų125.165%0.64980%0.803SS**PPolyproline II helixtrans-59.2148.5176.900000110.9V154 A158V154-G156 PolarHBondContact O-N 3.39Å; G156-A158 PolarHBondContact O-N 3.49Å
157P43.7Very low47.1Very low131 Ų131118 Ų11885%0.85180%0.798SS**PPolyproline II helixtrans-57.4138.917824.1-31.9000109.9G159P157-G159 PolarHBondContact O-N 3.46Å
158A42.6Very low47.1Very low114 Ų114122.9 Ų122.994%0.94281%0.809SS**  trans-57.6108.3-179.500000110.4G156G156-A158 PolarHBondContact O-N 3.49Å
159G43.7Very low47.7Very low67 Ų67120.7 Ų120.769%0.69181%0.805SS**PPolyproline II helixtrans-98.1133.4175.400000111.2P157 S161P157-G159 PolarHBondContact O-N 3.46Å; G159-S161 PolarHBondContact O-N 3.45Å
160L42.4Very low47.5Very low185 Ų185119.1 Ų119.197%0.96981%0.808SS**PPolyproline II helixtrans-46.4131.9169.6-79150.7000111.4
161S45.5Very low47.4Very low114 Ų114124.5 Ų124.580%0.79782%0.82SS**PPolyproline II helixtrans-66.1126.4-167.9-510000114G159G159-S161 PolarHBondContact O-N 3.45Å
162L40Very low47.9Very low175 Ų175129.5 Ų129.592%0.91682%0.824SS**  trans-143.2126.8147.9-88.6168.1000109.3G164L162-G164 PolarHBondContact O-N 3.4Å
163N51.7Low47.5Very low176 Ų176126 Ų12694%0.94181%0.811SS**  trans-55123.6-170.1-92.59.5000114.9
164G47.8Very low47.4Very low71 Ų71128.4 Ų128.473%0.73281%0.814SS**  trans-129.8130159.200000110.2L162L162-G164 PolarHBondContact O-N 3.4Å
165K48.3Very low48Very low206 Ų206127.6 Ų127.690%0.89681%0.811SS**PPolyproline II helixtrans-60145-177-66.3-179178.8-179.50111.4G167K165-G167 PolarHBondContact O-N 2.66Å
166P47.9Very low47.5Very low129 Ų129125.4 Ų125.484%0.83881%0.811SS**PPolyproline II helixtrans-58.4132.8179.9-20.230.7000111.8
167G52.8Low47.2Very low72 Ų72127.2 Ų127.274%0.74282%0.819SS**PPolyproline II helixtrans-66.5135.4170.500000110.8K165K165-G167 PolarHBondContact O-N 2.66Å
168L45.3Very low47.7Very low167 Ų167131.6 Ų131.687%0.87482%0.819SS**PPolyproline II helixtrans-60135.3176.3-76.1165000110.1G170L168-G170 PolarHBondContact O-N 2.89Å
169P53.5Low47.9Very low121 Ų121129.3 Ų129.379%0.78681%0.806SS**PPolyproline II helixtrans-56.4133.9175.3-21.831.2000110.9I171P169-I171 PolarHBondContact O-N 2.8Å
170G53.4Low47.9Very low76 Ų76134.7 Ų134.778%0.78481%0.814SS**PPolyproline II helixtrans-56.1127.4175.600000110.9L168 R172L168-G170 PolarHBondContact O-N 2.89Å; G170-R172 PolarHBondContact O-N 3.24Å; G170-R172 VanDerWaalsContact O-N 3.12Å
171I42.7Very low48.3Very low173 Ų173131.4 Ų131.489%0.88780%0.803SS**PPolyproline II helixtrans-56.2118.1177.820.4172.5000109.7P169 G173P169-I171 PolarHBondContact O-N 2.8Å; I171-G173 PolarHBondContact O-N 2.89Å
172R54.2Low48.3Very low225 Ų225129.4 Ų129.485%0.84980%0.8SS**PPolyproline II helixtrans-56.1120.9173.6-177.6177-178.8178.9-0.7108.3G170G170-R172 PolarHBondContact O-N 3.24Å; G170-R172 VanDerWaalsContact O-N 3.12Å
173G49.9Very low48.5Very low54 Ų54129.3 Ų129.356%0.55780%0.8SS**PPolyproline II helixtrans-52.1139.8176.900000110.8I171I171-G173 PolarHBondContact O-N 2.89Å
174P42.6Very low48.5Very low119 Ų119130.7 Ų130.777%0.77380%0.797SS**PPolyproline II helixtrans-57.7140.8-177.123.1-31.7000109.6G176P174-G176 PolarHBondContact O-N 2.79Å
175P53.4Low48.5Very low121 Ų121130.5 Ų130.579%0.78680%0.795SS**PPolyproline II helixtrans-50.7131.5172.1-23.632.6000109.5A177P175-A177 PolarHBondContact O-N 3.24Å
176G48.2Very low48.3Very low74 Ų74128.7 Ų128.776%0.76379%0.794SS**PPolyproline II helixtrans-50.9134.5178.700000110.3P174 R178P174-G176 PolarHBondContact O-N 2.79Å; G176-R178 PolarHBondContact O-N 3.08Å
177A42.5Very low48.4Very low101 Ų101128 Ų12884%0.83579%0.792SS**PPolyproline II helixtrans-50125.9-175.300000110P175 G179P175-A177 PolarHBondContact O-N 3.24Å; A177-G179 PolarHBondContact O-N 2.9Å; A177-G179 VanDerWaalsContact O-N 3.15Å
178R52.9Low48.1Very low224 Ų224127.4 Ų127.485%0.84579%0.786SS**PPolyproline II helixtrans-57.4121.7174.5-178.5177.2-178.6173.2-0.6107G176 E180G176-R178 PolarHBondContact O-N 3.08Å; R178-E180 PolarHBondContact O-N 2.8Å
179G47.3Very low48.1Very low65 Ų65125.2 Ų125.267%0.6778%0.782SS**PPolyproline II helixtrans-50.1131.6177.400000109.9A177A177-G179 PolarHBondContact O-N 2.9Å; A177-G179 VanDerWaalsContact O-N 3.15Å
180E43.5Very low48.2Very low181 Ų181125.4 Ų125.485%0.84678%0.783SS**PPolyproline II helixtrans-54.4136.5-176.7-66.3-168.1160.200109.6R178 G182R178-E180 PolarHBondContact O-N 2.8Å; E180-G182 PolarHBondContact O-N 3.18Å
181P50.7Low48.1Very low116 Ų116125.1 Ų125.175%0.75378%0.78SS**PPolyproline II helixtrans-52127.6170.3-2232.2000108.6L183P181-L183 PolarHBondContact O-N 3.37Å
182G45.9Very low48.5Very low71 Ų71126 Ų12673%0.73278%0.781SS**PPolyproline II helixtrans-50.9135.2179.300000110.2E180 K184E180-G182 PolarHBondContact O-N 3.18Å; G182-K184 PolarHBondContact O-N 3.3Å; G182-K184 VanDerWaalsContact O-N 3.13Å
183L44.9Very low48.4Very low173 Ų173126.9 Ų126.991%0.90678%0.784SS**PPolyproline II helixtrans-46.9123.5-179.2-71.5168000109.3P181 G185P181-L183 PolarHBondContact O-N 3.37Å; L183-G185 PolarHBondContact O-N 3.29Å; L183-G185 VanDerWaalsContact O-N 3.12Å
184K51.1Low48.5Very low205 Ų205127.4 Ų127.489%0.89179%0.79SS**PPolyproline II helixtrans-56.1122177.2-147.9177.6-172-177.30106.6G182 I186G182-K184 PolarHBondContact O-N 3.3Å; G182-K184 VanDerWaalsContact O-N 3.13Å; K184-I186 PolarHBondContact O-N 3.28Å
185G46.8Very low48.8Very low67 Ų67130 Ų13069%0.69180%0.796SS**PPolyproline II helixtrans-50.1130.5-176.700000109.9L183 S187L183-G185 PolarHBondContact O-N 3.29Å; L183-G185 VanDerWaalsContact O-N 3.12Å; G185-S187 PolarHBondContact O-N 3.25Å; G185-S187 VanDerWaalsContact O-N 3.15Å
186I45.3Very low48.8Very low169 Ų169134.2 Ų134.287%0.86780%0.802SS**PPolyproline II helixtrans-49.4122.7174.737.3169.9000108.7K184 G188K184-I186 PolarHBondContact O-N 3.28Å; I186-G188 PolarHBondContact O-N 3.4Å
187S49.3Very low48.7Very low115 Ų115133.9 Ų133.980%0.80480%0.798SS**PPolyproline II helixtrans-53.3128.1170.9-60.70000107.5G185G185-S187 PolarHBondContact O-N 3.25Å; G185-S187 VanDerWaalsContact O-N 3.15Å
188G47.5Very low48.9Very low59 Ų59138 Ų13861%0.60880%0.8SS**PPolyproline II helixtrans-52.2145.7175.800000109.9I186I186-G188 PolarHBondContact O-N 3.4Å
189P45.1Very low48.7Very low121 Ų121135.3 Ų135.379%0.78680%0.803SS**PPolyproline II helixtrans-51.2137.9177.621.8-31.8000109G191P189-G191 PolarHBondContact O-N 3.35Å; P189-G191 VanDerWaalsContact O-N 3.14Å
190P54.6Low48.5Very low124 Ų124135.6 Ų135.681%0.80581%0.805SS**PPolyproline II helixtrans-49.9126.7174.2-23.532.1000108.5E192P190-E192 PolarHBondContact O-N 2.68Å
191G51.5Low49Very low71 Ų71135.1 Ų135.173%0.73281%0.809SS**PPolyproline II helixtrans-51.2132.6179.100000109.3P189 R193P189-G191 PolarHBondContact O-N 3.35Å; P189-G191 VanDerWaalsContact O-N 3.14Å; G191-R193 PolarHBondContact O-N 3.24Å
192E50.4Low48.7Very low192 Ų192133.2 Ų133.290%0.89781%0.81SS**PPolyproline II helixtrans-48.6129.4-179.8-71.6-175160.300109.3P190 G194P190-E192 PolarHBondContact O-N 2.68Å; E192-G194 PolarHBondContact O-N 3.39Å
193R53Low48.8Very low242 Ų242139.3 Ų139.391%0.91382%0.817SS**  trans-58112.5176.6-178.3-176.8-71.8-170.1-1.9106.6G191 L195G191-R193 PolarHBondContact O-N 3.24Å; R193-L195 PolarHBondContact O-N 2.75Å
194G52.3Low49.1Very low66 Ų66137 Ų13768%0.6881%0.812SS**  trans-49.7132.6178.100000109.8E192 K196E192-G194 PolarHBondContact O-N 3.39Å; G194-K196 PolarHBondContact O-N 3.05Å
195L48.6Very low49.1Very low174 Ų174130.5 Ų130.591%0.91180%0.803SS**  trans-51.4131.2172.6-67.2170.5000107.8R193 G197R193-L195 PolarHBondContact O-N 2.75Å; L195-G197 VanDerWaalsContact C-N 3.32Å; L195-G197 PolarHBondContact O-N 3.15Å
196K52.4Low49.2Very low209 Ų209135.2 Ų135.291%0.90981%0.811SS**  trans-57.696.1179.2-176.8-175.6179.1-172.70108.4G194 E198G194-K196 PolarHBondContact O-N 3.05Å; K196-E198 PolarHBondContact O-N 3.2Å
197G46.3Very low49.6Very low66 Ų66132.7 Ų132.768%0.6881%0.806SS**  trans-75.4120.1172.600000109L195 N199L195-G197 VanDerWaalsContact C-N 3.32Å; L195-G197 PolarHBondContact O-N 3.15Å; G197-N199 PolarHBondContact O-N 3.27Å
198E47.6Very low49.7Very low189 Ų189130.6 Ų130.688%0.88380%0.802SS**SBendtrans-56.2121.6155.6-77.1179137.500108.1K196K196-E198 PolarHBondContact O-N 3.2Å
199N47.9Very low49.7Very low166 Ų166136.1 Ų136.189%0.88882%0.816SS**SBendtrans35.199.8162.2-59.8-14.7000117.6G197G197-N199 PolarHBondContact O-N 3.27Å
200G44.5Very low50.2Low71 Ų71142 Ų14273%0.73282%0.822SS**SBendtrans142.4107.6151.800000115.5G202G200-G202 PolarHBondContact O-N 2.95Å
201N52.3Low49.9Very low172 Ų172138.6 Ų138.692%0.9281%0.81SS**  trans33.875.4153-61.3-12.7000118
202G44.6Very low49.8Very low76 Ų76141 Ų14178%0.78481%0.812SS**PPolyproline II helixtrans-81.5122.2163.700000111.5G200G200-G202 PolarHBondContact O-N 2.95Å
203K49.5Very low50Low198 Ų198137.7 Ų137.786%0.86181%0.808SS**PPolyproline II helixtrans-61.4140.6171.2-64.7-178.1-179.9-176.50109.6G205K203-G205 PolarHBondContact O-N 3.26Å
204P51.3Low49.7Very low126 Ų126129.8 Ų129.882%0.81880%0.801SS**PPolyproline II helixtrans-53.2130.1173.9-23.632.5000110.5
205G49.8Very low49.3Very low68 Ų68134.9 Ų134.970%0.70181%0.812SS**PPolyproline II helixtrans-57143.2175.500000111K203K203-G205 PolarHBondContact O-N 3.26Å
206I48.7Very low49.6Very low166 Ų166136 Ų13685%0.85181%0.81SS**PPolyproline II helixtrans-53129.2179.1-28.7174.7000108.4G208I206-G208 PolarHBondContact O-N 3Å
207P55.4Low49.4Very low116 Ų116129.1 Ų129.175%0.75380%0.798SS**PPolyproline II helixtrans-51.8129.8175.8-26.633.8000110.3I209P207-I209 PolarHBondContact O-N 2.85Å
208G50Low49.3Very low71 Ų71133.5 Ų133.573%0.73281%0.806SS**PPolyproline II helixtrans-53.5135179.300000110.9I206 R210I206-G208 PolarHBondContact O-N 3Å; G208-R210 PolarHBondContact O-N 2.87Å
209I48.2Very low49.7Very low175 Ų175131.3 Ų131.390%0.89781%0.805SS**PPolyproline II helixtrans-48122.5175.819.4172.9000109.8P207 G211P207-I209 PolarHBondContact O-N 2.85Å; I209-G211 PolarHBondContact O-N 2.83Å; I209-G211 VanDerWaalsContact O-N 3.15Å
210R56.1Low49.5Very low243 Ų243126 Ų12692%0.91779%0.791SS**PPolyproline II helixtrans-55.6121.3175.9-176.8178-178.9178.51.2107.9G208G208-R210 PolarHBondContact O-N 2.87Å
211G47.6Very low49.6Very low53 Ų53128.4 Ų128.455%0.54679%0.793SS.*PPolyproline II helixtrans-52.9145.8178.800000111.3I209I209-G211 PolarHBondContact O-N 2.83Å; I209-G211 VanDerWaalsContact O-N 3.15Å
212P48.5Very low49.6Very low121 Ų121126.2 Ų126.279%0.78679%0.788SS**PPolyproline II helixtrans-54.5147.2179.521.8-31.7000110.6G214P212-G214 PolarHBondContact O-N 2.9Å
213P55.9Low49.4Very low124 Ų124126 Ų12681%0.80579%0.786SS**PPolyproline II helixtrans-50.4131.2174.1-23.932.6000110.1L215P213-L215 PolarHBondContact O-N 2.79Å
214G47.2Very low48.9Very low75 Ų75126 Ų12677%0.77379%0.786SS**PPolyproline II helixtrans-52.9134.3179.700000110.6P212 K216P212-G214 PolarHBondContact O-N 2.9Å; G214-K216 PolarHBondContact O-N 3.48Å
215L43.3Very low48.6Very low173 Ų173125.5 Ų125.591%0.90678%0.783SS**PPolyproline II helixtrans-52.8128.1178.7-68.6170.8000109.2P213 G217P213-L215 PolarHBondContact O-N 2.79Å; L215-G217 PolarHBondContact O-N 2.97Å; L215-G217 VanDerWaalsContact O-N 3.11Å
216K54.1Low48.1Very low198 Ų198126.3 Ų126.386%0.86179%0.791SS**PPolyproline II helixtrans-54.8120.1175.6-176.7178.4179.1-179.30107.8G214 N218G214-K216 PolarHBondContact O-N 3.48Å; K216-N218 PolarHBondContact O-N 2.76Å
217G48.4Very low47.7Very low64 Ų64125.8 Ų125.866%0.6679%0.788SS**PPolyproline II helixtrans-52.1133.2-177.300000111.2L215 T219L215-G217 PolarHBondContact O-N 2.97Å; L215-G217 VanDerWaalsContact O-N 3.11Å; G217-T219 PolarHBondContact O-N 2.88Å
218N45.3Very low46.8Very low159 Ų159124 Ų12485%0.8579%0.79SS**PPolyproline II helixtrans-54.6135178.9-64.8-11.6000109.4K216 G220K216-N218 PolarHBondContact O-N 2.76Å; N218-G220 PolarHBondContact O-N 3.29Å; N218-G220 VanDerWaalsContact O-N 3.15Å
219T55.9Low46.3Very low142 Ų142128.6 Ų128.687%0.87179%0.791SS**PPolyproline II helixtrans-52.1123.1173.3-47.70000108.4G217G217-T219 PolarHBondContact O-N 2.88Å
220G43.8Very low46.2Very low56 Ų56126.7 Ų126.758%0.57779%0.789SS**PPolyproline II helixtrans-53.2139.9-178.500000110.8N218N218-G220 PolarHBondContact O-N 3.29Å; N218-G220 VanDerWaalsContact O-N 3.15Å
221P45.6Very low45.2Very low120 Ų120118.8 Ų118.878%0.77978%0.784SS**PPolyproline II helixtrans-57.4142.9-18022.8-31.4000109.9G223P221-G223 PolarHBondContact O-N 3.34Å
222P51.7Low45.2Very low126 Ų126124.7 Ų124.782%0.81880%0.797SS**PPolyproline II helixtrans-50.9134.1172.2-23.632.4000110.3F224P222-F224 PolarHBondContact O-N 2.83Å
223G41.5Very low44.6Very low71 Ų71129.1 Ų129.173%0.73280%0.804SS**PPolyproline II helixtrans-56.1137.6178.900000111.5P221P221-G223 PolarHBondContact O-N 3.34Å
224F38.7Very low43.9Very low200 Ų200126.8 Ų126.888%0.87780%0.802SS**PPolyproline II helixtrans-56.3130.8-178.6-70.8-81.4000111.5P222P222-F224 PolarHBondContact O-N 2.83Å
225P44.8Very low43.7Very low115 Ų115132 Ų13275%0.74781%0.811SS**PPolyproline II helixtrans-61.4135.8164.4-18.330.8000110I227P225-I227 PolarHBondContact O-N 2.96Å
226G38.9Very low44Very low84 Ų84133.2 Ų133.287%0.86681%0.812SS**PPolyproline II helixtrans-55.1126.8177.800000111.9
227I40.8Very low43.8Very low155 Ų155126.6 Ų126.680%0.79580%0.801SS**PPolyproline II helixtrans-82.5119.5-178.5-66.4166.2000109.5P225 K229P225-I227 PolarHBondContact O-N 2.96Å; I227-K229 HydrophobicContact CG2-CB 4.45Å
228G36Very low44.1Very low78 Ų78129.3 Ų129.380%0.80481%0.807SS**  trans-119105.1148.800000109.1
229K39.8Very low44.9Very low169 Ų169127.9 Ų127.974%0.73581%0.806SS**  trans-139139.5167.2-70.7-170.8-179.4-176.30106I227I227-K229 HydrophobicContact CG2-CB 4.45Å
230P45.5Very low44.7Very low134 Ų134124.8 Ų124.887%0.8780%0.803SS**  -144.3166.165.326.8-2.6000114.7
231G36.2Very low44.9Very low78 Ų78130.5 Ų130.580%0.80482%0.819SS**  cis-156168.124.300000116.3
232Q47.2Very low45.5Very low176 Ų176134.4 Ų134.482%0.82282%0.823SS**  trans-107.7138.2179.2-86.6-179.8-20.800110.8
233K37.2Very low45.5Very low215 Ų215131.7 Ų131.794%0.93582%0.819SS**  trans-171.6130.6140.4-107.9179-177.5-179.60107.1
234G40Very low45.9Very low74 Ų74136.1 Ų136.176%0.76383%0.825SS**  cis-163.2153.7-6.700000107.8
235L42.6Very low46.6Very low184 Ų184135.9 Ų135.996%0.96383%0.827SS**PPolyproline II helixtrans-100.3132.9173.2-77.5166.3000109.5
236Q49.8Very low46.8Very low199 Ų199133.3 Ų133.393%0.9382%0.821SS**PPolyproline II helixtrans-66.5139.1174.3-165.4171.235.800110
237G50.1Low47.2Very low60 Ų60137.4 Ų137.462%0.61982%0.823SS**PPolyproline II helixtrans-67.1153.7-163.600000115.1
238P55.2Low48Very low121 Ų121135.9 Ų135.979%0.78682%0.823SS**PPolyproline II helixtrans-67.7147.8174.627.5-32.1000111.5G240P238-G240 PolarHBondContact O-N 3.45Å
239P62.1Low48.8Very low129 Ų129135.6 Ų135.684%0.83882%0.82SS**PPolyproline II helixtrans-53.4137.5171-24.333.6000111.6
240G51.8Low49.4Very low77 Ų77137.7 Ų137.779%0.79483%0.829SS**PPolyproline II helixtrans-59.6141.2-170.300000114.3P238 K242P238-G240 PolarHBondContact O-N 3.45Å; G240-K242 PolarHBondContact O-N 3.37Å
241L48.3Very low49.4Very low175 Ų175139.1 Ų139.192%0.91683%0.828SS**PPolyproline II helixtrans-62.6127.6172.7-65.8168.3000109.7G243L241-G243 PolarHBondContact O-N 3.37Å
242K57.5Low50.2Low202 Ų202138.1 Ų138.188%0.87882%0.818SS**PPolyproline II helixtrans-64.5124.8164.4-174.1177.8178.4-1760107.2G240G240-K242 PolarHBondContact O-N 3.37Å
243G52.4Low50.2Low70 Ų70139 Ų13972%0.72282%0.822SS**PPolyproline II helixtrans-55.9140.6-169.600000113.9L241 E245L241-G243 PolarHBondContact O-N 3.37Å; G243-E245 PolarHBondContact O-N 3.13Å
244D48.5Very low51Low163 Ų163134.4 Ų134.487%0.87281%0.814SS**PPolyproline II helixtrans-62.4128.2175.2-60.9-45.9000110.2G246D244-G246 PolarHBondContact O-N 3.08Å
245E54.5Low51.8Low195 Ų195134.1 Ų134.191%0.91181%0.811SS**PPolyproline II helixtrans-67.3127.6164.4-160.8172.3-172.900107.9G243G243-E245 PolarHBondContact O-N 3.13Å
246G48.4Very low51.9Low61 Ų61134.6 Ų134.663%0.62981%0.808SS**PPolyproline II helixtrans-58.4143.9-170.700000113.1D244 P248D244-G246 PolarHBondContact O-N 3.08Å; G246-P248 VanDerWaalsContact O-CD 3.25Å; G246-P248 WeakPolarHBondContact O-CD 3.35Å
247L47.7Very low52.2Low171 Ų171131.2 Ų131.290%0.89580%0.804SS**PPolyproline II helixtrans-52.7120.3175.3-69.7167.7000110.4G249L247-G249 PolarHBondContact O-N 3.15Å
248P57.3Low52.3Low123 Ų123131.4 Ų131.480%0.79981%0.805SS**PPolyproline II helixtrans-57.9132.1164.9-22.634.3000109.5G246G246-P248 VanDerWaalsContact O-CD 3.25Å; G246-P248 WeakPolarHBondContact O-CD 3.35Å
249G52.9Low51.9Low71 Ų71131.6 Ų131.673%0.73281%0.807SS**PPolyproline II helixtrans-56.5149.6-176.400000113L247 L251L247-G249 PolarHBondContact O-N 3.15Å; G249-L251 PolarHBondContact O-N 3.29Å
250K52.9Low51.2Low213 Ų213132 Ų13293%0.92681%0.809SS**  trans-55.3113.7174.9-66.2-177178.8-176.20109.5G252K250-G252 PolarHBondContact O-N 3.23Å
251L44.8Very low51.2Low165 Ų165132.1 Ų132.186%0.86481%0.811SS**PPolyproline II helixtrans-66.7120.4168.5-174.467.6000108.1G249G249-L251 PolarHBondContact O-N 3.29Å
252G52.6Low51Low56 Ų56132.6 Ų132.658%0.57781%0.813SS**PPolyproline II helixtrans-66.2153.9175.500000111.9K250 P254K250-G252 PolarHBondContact O-N 3.23Å; G252-P254 VanDerWaalsContact O-CD 3.23Å; G252-P254 WeakPolarHBondContact O-CD 3.38Å
253E48.1Very low50.3Low195 Ų195132.5 Ų132.591%0.91182%0.816SS**PPolyproline II helixtrans-56.9121.5177.6-67.6-165.314500111.2G255E253-G255 PolarHBondContact O-N 3.09Å
254P54.2Low50.1Low119 Ų119132.2 Ų132.277%0.77381%0.813SS**PPolyproline II helixtrans-69.6128.6171.9-20.134.1000111.2G252G252-P254 VanDerWaalsContact O-CD 3.23Å; G252-P254 WeakPolarHBondContact O-CD 3.38Å
255G56.5Low49.5Very low67 Ų67132.8 Ų132.869%0.69182%0.815SS**PPolyproline II helixtrans-66.9162.1178.400000114.4E253E253-G255 PolarHBondContact O-N 3.09Å
256Q44.5Very low49.1Very low194 Ų194129.5 Ų129.591%0.90781%0.81SS**PPolyproline II helixtrans-54.9128.5-176.5-67.7179.8-3.500112.4
257P55.3Low49.2Very low129 Ų129129.7 Ų129.784%0.83881%0.812SS**PPolyproline II helixtrans-65.3132.8174.5-22.933.9000113
258G54.1Low48.8Very low63 Ų63127.8 Ų127.865%0.64981%0.81SS**PPolyproline II helixtrans-75.1171.3172.700000114
259P46.9Very low48.1Very low126 Ų126127 Ų12782%0.81881%0.814SS**PPolyproline II helixtrans-67.9152.9-16825.4-32.8000114.3
260P45.8Very low47.4Very low137 Ų137127.2 Ų127.289%0.8982%0.817SS**PPolyproline II helixtrans-66.3143.2-171-18.531.9000114.7
261G52.6Low46.7Very low80 Ų80125.2 Ų125.283%0.82582%0.815SS**PPolyproline II helixtrans-94.1167.2-171.500000116.8
262L43Very low46.5Very low185 Ų185120.6 Ų120.697%0.96981%0.807SS**PPolyproline II helixtrans-83136.6177-73166000112.3
263Q43.4Very low45.8Very low200 Ų200127.2 Ų127.294%0.93582%0.82SS**PPolyproline II helixtrans-74149.3-178-170.3178.223.600112
264G47.7Very low45.8Very low64 Ų64123.7 Ų123.766%0.6681%0.814SS**  cis172.9169.6-2.400000109.1
265L36.2Very low45.3Very low174 Ų174121.2 Ų121.291%0.91181%0.81SS**  trans-146.3128.8154.6-96168.9000109.5
266P46.9Very low44.4Very low126 Ų126126.5 Ų126.582%0.81882%0.822SS**  trans-82157.41792.815.5000111.2
267G50.1Low44.5Very low65 Ų65124.4 Ų124.467%0.6782%0.817SS**  cis-179.9162.3-0.500000106.7
268P39.5Very low44.1Very low132 Ų132121.6 Ų121.686%0.85781%0.811SS**  -141.714211721.1-0.6000115
269A41.9Very low43.3Very low105 Ų105126.8 Ų126.887%0.86882%0.823SS**  trans17.897158.100000118.4
270G39.6Very low43.8Very low77 Ų77126 Ų12679%0.79482%0.818SS**  trans-72.9132.8159.600000111.5
271L37.3Very low44.2Very low171 Ų171122.8 Ų122.890%0.89581%0.81SS**  trans-11370.2150.1-163.782.2000107.7K273L271-K273 PolarHBondContact O-N 3.26Å
272G40.2Very low43.7Very low67 Ų67125.3 Ų125.369%0.69181%0.81SS**PPolyproline II helixtrans-68.6123.2162.900000108.5
273K37.3Very low44.8Very low195 Ų195122.1 Ų122.185%0.84880%0.8SS**PPolyproline II helixtrans-65.7132.8160.8-66-179.5-179-178.90107.3L271L271-K273 PolarHBondContact O-N 3.26Å
274P49.1Very low45.4Very low121 Ų121115.4 Ų115.479%0.78678%0.784SS**PPolyproline II helixtrans-50.7149175.6-27.234.3000112.4L276P274-L276 PolarHBondContact O-N 3.34Å
275G43.8Very low45.6Very low68 Ų68118.5 Ų118.570%0.70179%0.793SS**PPolyproline II helixtrans-50.9136.2169.600000110.2D277G275-D277 PolarHBondContact O-N 3.2Å; G275-D277 VanDerWaalsContact O-N 3.08Å
276L37.8Very low46.8Very low178 Ų178117 Ų11793%0.93279%0.79SS**  trans-65.8111166.4-80.4164.2000107P274P274-L276 PolarHBondContact O-N 3.34Å
277D45.7Very low47.3Very low150 Ų150113.5 Ų113.580%0.80278%0.777SS**  trans-43.8142.3161.7-68.9-44.7000109.6G275 L279G275-D277 PolarHBondContact O-N 3.2Å; G275-D277 VanDerWaalsContact O-N 3.08Å; D277-L279 PolarHBondContact O-N 3.12Å
278G47.3Very low47.5Very low69 Ų69116.6 Ų116.671%0.71179%0.786SS**  trans-48.9133.3174.100000109.7P280G278-P280 VanDerWaalsContact O-CD 3.22Å; G278-P280 WeakPolarHBondContact O-CD 3.28Å
279L37.6Very low48.6Very low173 Ų173119.5 Ų119.591%0.90679%0.785SS**  trans-43.5115.4178.2-80.1163.1000109D277 G281D277-L279 PolarHBondContact O-N 3.12Å; L279-G281 PolarHBondContact O-N 3.28Å
280P56.6Low49.2Very low108 Ų108117.6 Ų117.670%0.70178%0.776SS**PPolyproline II helixtrans-53.2133.4169.7-24.133.5000107.7G278 T282G278-P280 VanDerWaalsContact O-CD 3.22Å; G278-P280 WeakPolarHBondContact O-CD 3.28Å; P280-T282 PolarHBondContact O-N 3.38Å; P280-T282 VanDerWaalsContact O-N 3.11Å
281G53.8Low49.7Very low71 Ų71123.2 Ų123.273%0.73278%0.781SS**PPolyproline II helixtrans-47.4126.317400000108.3L279 P283L279-G281 PolarHBondContact O-N 3.28Å; G281-P283 WeakPolarHBondContact O-CD 3.33Å
282T44Very low50.8Low133 Ų133123.2 Ų123.282%0.81678%0.777SS**PPolyproline II helixtrans-49121.6-178.846.70000108P280 G284P280-T282 PolarHBondContact O-N 3.38Å; P280-T282 VanDerWaalsContact O-N 3.11Å; T282-G284 PolarHBondContact O-N 3.38Å
283P64.3Low51.5Low118 Ų118123.1 Ų123.177%0.76678%0.776SS**PPolyproline II helixtrans-50.7129.8170.9-26.434.6000107.9G281G281-P283 WeakPolarHBondContact O-CD 3.33Å
284G56.4Low52Low59 Ų59120.7 Ų120.761%0.60878%0.777SS**PPolyproline II helixtrans-49142175.200000109.2T282 V286T282-G284 PolarHBondContact O-N 3.38Å; G284-V286 PolarHBondContact O-N 3.39Å; G284-V286 VanDerWaalsContact O-N 3.12Å
285P52.7Low52.7Low129 Ų129125.6 Ų125.684%0.83878%0.78SS**PPolyproline II helixtrans-49.9126.1-174.920.5-32.2000109.4G287P285-G287 PolarHBondContact O-N 3.21Å
286V60.8Low53.2Low141 Ų141125.3 Ų125.386%0.85578%0.777SS**PPolyproline II helixtrans-53.2118.4173.3172.70000106.5G284G284-V286 PolarHBondContact O-N 3.39Å; G284-V286 VanDerWaalsContact O-N 3.12Å
287G58.4Low53.9Low53 Ų53124.3 Ų124.355%0.54677%0.772SS.*PPolyproline II helixtrans-51.8140.1177.500000109.4P285 K289P285-G287 PolarHBondContact O-N 3.21Å; G287-K289 PolarHBondContact O-N 2.89Å; G287-K289 VanDerWaalsContact O-N 3.1Å
288P53.1Low54.9Low130 Ų130122.7 Ų122.784%0.84477%0.77SS**PPolyproline II helixtrans-53.3124.3-17522-32.3000109.4G290P288-G290 PolarHBondContact O-N 3.37Å; P288-G290 VanDerWaalsContact O-N 3.1Å
289K61.9Low55.1Low194 Ų194122.7 Ų122.784%0.84377%0.77SS**PPolyproline II helixtrans-55.7118.7171.2-178.3178.8178.3-177.40106.6G287 E291G287-K289 PolarHBondContact O-N 2.89Å; G287-K289 VanDerWaalsContact O-N 3.1Å; K289-E291 PolarHBondContact O-N 3.33Å
290G54.7Low55.7Low65 Ų65122.2 Ų122.267%0.6777%0.767SS**PPolyproline II helixtrans-48.8135.718000000110.5P288 Q292P288-G290 PolarHBondContact O-N 3.37Å; P288-G290 VanDerWaalsContact O-N 3.1Å; G290-Q292 PolarHBondContact O-N 3.46Å; G290-Q292 VanDerWaalsContact O-N 3.17Å
291E51.3Low56Low194 Ų194122.6 Ų122.691%0.90777%0.769SS**PPolyproline II helixtrans-52.3123.3178.3-70-178.2155.700109.4K289 G293K289-E291 PolarHBondContact O-N 3.33Å; E291-G293 PolarHBondContact O-N 3.25Å
292Q61Low55.8Low172 Ų172122.7 Ų122.780%0.80477%0.77SS**PPolyproline II helixtrans-63.7118.3172.4179.1174.9-1900107.2G290 T294G290-Q292 PolarHBondContact O-N 3.46Å; G290-Q292 VanDerWaalsContact O-N 3.17Å; Q292-T294 PolarHBondContact O-N 2.77Å
293G53.8Low56Low65 Ų65120.7 Ų120.767%0.6777%0.768SS**PPolyproline II helixtrans-48.1134.4177.200000110.8E291 R295E291-G293 PolarHBondContact O-N 3.25Å; G293-R295 PolarHBondContact O-N 3.22Å; G293-R295 VanDerWaalsContact O-N 3.09Å
294T48.7Very low55.3Low143 Ų143120.9 Ų120.988%0.87777%0.768SS**PPolyproline II helixtrans-54118.8179.943.30000109.3Q292 G296Q292-T294 PolarHBondContact O-N 2.77Å; T294-G296 PolarHBondContact O-N 3.25Å
295R63.9Low54.6Low225 Ų225121.8 Ų121.885%0.84978%0.778SS**PPolyproline II helixtrans-59.5123.8171.9-175.9176.8-173.4165.51.2107G293 N297G293-R295 PolarHBondContact O-N 3.22Å; G293-R295 VanDerWaalsContact O-N 3.09Å; R295-N297 PolarHBondContact O-N 2.81Å
296G54.3Low54.2Low62 Ų62126.8 Ų126.864%0.63978%0.782SS**PPolyproline II helixtrans-50.1135175.200000110.5T294T294-G296 PolarHBondContact O-N 3.25Å
297N51Low53.3Low156 Ų156123.7 Ų123.783%0.83478%0.778SS**PPolyproline II helixtrans-47.8129.5-179.9-68.9-24.3000110R295 G299R295-N297 PolarHBondContact O-N 2.81Å; N297-G299 PolarHBondContact O-N 3.19Å
298P66.3Low52.7Low116 Ų116130.5 Ų130.575%0.75379%0.793SS**PPolyproline II helixtrans-53.4134.7168.7-23.233000109.7I300P298-I300 PolarHBondContact O-N 2.87Å
299G51.7Low52.5Low69 Ų69130.9 Ų130.971%0.71180%0.795SS**PPolyproline II helixtrans-54136.9172.800000110.2N297 P301N297-G299 PolarHBondContact O-N 3.19Å; G299-P301 WeakPolarHBondContact O-CD 3.2Å
300I51.3Low51.6Low163 Ų163125.1 Ų125.184%0.83679%0.791SS**PPolyproline II helixtrans-51.1123.7178.8-48.2169.4000108.3P298 G302P298-I300 PolarHBondContact O-N 2.87Å; I300-G302 PolarHBondContact O-N 3.23Å
301P61.7Low51.2Low116 Ų116130.5 Ų130.575%0.75380%0.803SS**PPolyproline II helixtrans-56.4127170.8-24.434.1000109.8G299 A303G299-P301 WeakPolarHBondContact O-CD 3.2Å; P301-A303 PolarHBondContact O-N 2.89Å
302G51Low51Low73 Ų73129.3 Ų129.375%0.75380%0.803SS**PPolyproline II helixtrans-57136.8176.400000110.8I300I300-G302 PolarHBondContact O-N 3.23Å
303A48.2Very low50.5Low92 Ų92124.2 Ų124.276%0.7680%0.797SS**PPolyproline II helixtrans-53.2139.3179.200000111.4P301 G305P301-A303 PolarHBondContact O-N 2.89Å; A303-G305 PolarHBondContact O-N 3.49Å
304P49.5Very low50.6Low121 Ų121127.5 Ų127.579%0.78681%0.806SS**  trans-58.4112.1172.5-22.532.7000110.6Y306P304-Y306 PolarHBondContact O-N 2.82Å
305G41Very low50.8Low78 Ų78130.3 Ų130.380%0.80481%0.806SS**  trans-70.7109.2177.500000111.4A303 G307A303-G305 PolarHBondContact O-N 3.49Å; G305-G307 PolarHBondContact O-N 3.48Å; G305-G307 VanDerWaalsContact O-N 3.17Å
306Y45Very low50.1Low234 Ų234122.9 Ų122.992%0.91880%0.8SS**  trans-75.391.9158.9-87.2-90.6000108.9P304 K308P304-Y306 PolarHBondContact O-N 2.82Å; Y306-K308 PolarHBondContact O-N 2.95Å
307G42Very low49.9Very low76 Ų76128.8 Ų128.878%0.78481%0.811SS**  trans-80.5108.4172.100000111.6G305G305-G307 PolarHBondContact O-N 3.48Å; G305-G307 VanDerWaalsContact O-N 3.17Å
308K45Very low49.9Very low197 Ų197130.5 Ų130.586%0.85781%0.811SS**PPolyproline II helixtrans-75.5138.4152.7-65.5-177.7-179.1-177.70107.8Y306 G310Y306-K308 PolarHBondContact O-N 2.95Å; K308-G310 PolarHBondContact O-N 2.73Å; K308-G310 VanDerWaalsContact O-N 3.15Å
309P49.7Very low49Very low138 Ų138128.5 Ų128.590%0.89681%0.812SS**PPolyproline II helixtrans-60.1118.1-179.5-21.231.7000111.5
310G43.1Very low48.7Very low73 Ų73133.8 Ų133.875%0.75382%0.818SS**PPolyproline II helixtrans-87.1140.9173.300000111.6K308K308-G310 PolarHBondContact O-N 2.73Å; K308-G310 VanDerWaalsContact O-N 3.15Å
311L46Very low48.6Very low177 Ų177129.2 Ų129.293%0.92781%0.81SS**PPolyproline II helixtrans-54.6145.7172.2-80.9138.4000112.4G313L311-G313 PolarHBondContact O-N 2.8Å
312N47.8Very low47.8Very low170 Ų170127.6 Ų127.691%0.90982%0.815SS**PPolyproline II helixtrans-50121.7175.9-104.611.8000112.1
313G49.7Very low47.4Very low65 Ų65133.7 Ų133.767%0.6782%0.821SS**PPolyproline II helixtrans-81.6147.1168.100000111.9L311L311-G313 PolarHBondContact O-N 2.8Å
314P56.2Low47.5Very low133 Ų133135 Ų13586%0.86482%0.822SS**PPolyproline II helixtrans-67.5142.2176.328.2-32.3000111.2G316P314-G316 PolarHBondContact O-N 2.8Å
315K52.6Low47.2Very low202 Ų202133.2 Ų133.288%0.87883%0.826SS**PPolyproline II helixtrans-53.2122.7178.7-177.9178.7179.2179.80111.3
316G49.6Very low47.3Very low70 Ų70136.2 Ų136.272%0.72283%0.828SS**PPolyproline II helixtrans-64.5135.3174.500000112.4P314P314-G316 PolarHBondContact O-N 2.8Å
317E49.5Very low47.3Very low186 Ų186131 Ų13187%0.86982%0.823SS**PPolyproline II helixtrans-71.6148.8178.7-68.7-177.5153.500112.5
318K51.1Low47.2Very low191 Ų191131.1 Ų131.183%0.8382%0.824SS**PPolyproline II helixtrans-66.8132.1179.3-170.2179.1-173.7-179.50110
319G48Very low46.9Very low74 Ų74129.9 Ų129.976%0.76383%0.827SS**PPolyproline II helixtrans-59.1135.2176.200000112.6
320H45Very low46.6Very low181 Ų181133.5 Ų133.584%0.83883%0.828SS**PPolyproline II helixtrans-84.6138.2173.7-70.473.8000110
321G49.7Very low46.8Very low66 Ų66133.4 Ų133.468%0.6883%0.827SS**PPolyproline II helixtrans-68.6147.4179.600000112.9
322G44.9Very low46.3Very low83 Ų83134.5 Ų134.586%0.85683%0.828SS**PPolyproline II helixtrans-72.4145.7178.500000113.1
323F42.3Very low45.9Very low201 Ų201136 Ų13688%0.88283%0.829SS**PPolyproline II helixtrans-92.3149.8175.6-73.4-81.2000112.3
324P49.1Very low45.7Very low119 Ų119136.3 Ų136.377%0.77383%0.832SS**PPolyproline II helixtrans-73147.4-177.9-12.829.2000113.7
325G44.3Very low44.9Very low84 Ų84138 Ų13887%0.86683%0.833SS**PPolyproline II helixtrans-83.5140.4173.400000113.1
326V43.1Very low44.2Very low141 Ų141135.3 Ų135.386%0.85583%0.832SS**PPolyproline II helixtrans-94.6155.7-177.2-107.60000112.6
327P44.9Very low44.1Very low124 Ų124135.1 Ų135.181%0.80583%0.831SS**PPolyproline II helixtrans-69.8157.6-169.7-16.431.1000115.6
328G40.5Very low44.2Very low79 Ų79132.5 Ų132.581%0.81483%0.83SS**  trans-104.8138.6178.100000114.2
329D38.4Very low43.8Very low170 Ų170131.7 Ų131.791%0.90983%0.833SS**  trans-91.3153.7-178.7-74.4-38.8000114.2
330K43.7Very low43.7Very low214 Ų214131.4 Ų131.493%0.9383%0.83SS**  trans-86.5146.9-176.5-174.9-179.6179.3-177.40111.6
331G46.1Very low43.8Very low71 Ų71127.6 Ų127.673%0.73283%0.83SS**  trans-92.5-171.6-165.200000119.1
332E35.4Very low43.7Very low201 Ų201130.5 Ų130.594%0.93984%0.837SS**  trans-138.5154.1176.3-74.5-169.3151.400113.2
333Q39.7Very low43.9Very low202 Ų202130.1 Ų130.194%0.94483%0.833SS**  trans-71.6153-177.2-74.2172.3-49.300113.7
334G45.2Very low44Very low71 Ų71128.8 Ų128.873%0.73283%0.834SS**  trans-113.6168-176.300000115.9
335I40.1Very low43.8Very low169 Ų169131.2 Ų131.287%0.86784%0.84SS**  trans-152.8147149.3-22170.5000111.4
336V37Very low44Very low144 Ų144130.7 Ų130.787%0.87384%0.835SS**  trans88.5114.9168.1-164.40000117.2
337G47.8Very low44.3Very low67 Ų67132.6 Ų132.669%0.69184%0.835SS**  trans-107.5-166.3-177.900000114.7
338P51.7Low44.8Very low130 Ų130132.8 Ų132.884%0.84484%0.836SS**  cis-126.6132.4-6.935.5-17.8000113.4
339I42.9Very low45.3Very low175 Ų175132.2 Ų132.290%0.89783%0.83SS**SBendtrans-128.2126.4163.3-72.6176.5000107.9
340G45.4Very low45.9Very low68 Ų68130.2 Ų130.270%0.70183%0.826SS**SBendtrans44.8109.8157.700000118.8
341A48.6Very low46.3Very low101 Ų101129 Ų12984%0.83582%0.824SS**  trans-43.4122.1178.600000114.2G343A341-G343 PolarHBondContact O-N 3.17Å
342P47.3Very low46.4Very low127 Ų127128.9 Ų128.983%0.82582%0.823SS**  trans-60.3132.2169-21.932.9000111.1
343G49.3Very low47Very low75 Ų75127.6 Ų127.677%0.77382%0.82SS**  trans-65.5142.2172.100000111.9A341A341-G343 PolarHBondContact O-N 3.17Å
344L44.3Very low47.6Very low173 Ų173127 Ų12791%0.90682%0.817SS**  trans-29.3135.1177.3-62.8160.8000116.2G346L344-G346 PolarHBondContact O-N 2.84Å
345D43.5Very low48Very low169 Ų169126.2 Ų126.290%0.90481%0.81SS**PPolyproline II helixtrans-51.5126.9165.1-77.7-35.8000111
346G48.8Very low48.8Very low74 Ų74124.5 Ų124.576%0.76381%0.809SS**PPolyproline II helixtrans-66.8134.9175.500000111.4L344L344-G346 PolarHBondContact O-N 2.84Å
347Q50.2Low49.6Very low180 Ų180126.4 Ų126.484%0.84181%0.811SS**PPolyproline II helixtrans-54.9148.9178-63.3-173.4-5.200112.4G349Q347-G349 PolarHBondContact O-N 2.91Å
348P55Low49.7Very low129 Ų129126.3 Ų126.384%0.83881%0.81SS**PPolyproline II helixtrans-51128.6168.3-2432.8000110.9
349G51.3Low49.5Very low66 Ų66128 Ų12868%0.6881%0.811SS**PPolyproline II helixtrans-60.4145178.900000112Q347Q347-G349 PolarHBondContact O-N 2.91Å
350P51.8Low50.5Low129 Ų129125.5 Ų125.584%0.83881%0.806SS**PPolyproline II helixtrans-61.4144.8175.625.6-32.7000111G352P350-G352 PolarHBondContact O-N 2.89Å
351Q50.2Low50.6Low189 Ų189125.8 Ų125.888%0.88381%0.809SS**PPolyproline II helixtrans-48.6133174.2-176.6179.7-26.600111.4I353Q351-I353 PolarHBondContact O-N 2.89Å
352G48.4Very low50.5Low68 Ų68130.8 Ų130.870%0.70181%0.812SS**PPolyproline II helixtrans-57131.6179.200000112.3P350 Q354P350-G352 PolarHBondContact O-N 2.89Å; G352-Q354 PolarHBondContact O-N 3.2Å
353I47.7Very low50.4Low173 Ų173134.2 Ų134.289%0.88782%0.816SS**PPolyproline II helixtrans-65.6125.416439171.2000109.1Q351 G355Q351-I353 PolarHBondContact O-N 2.89Å; I353-G355 PolarHBondContact O-N 2.95Å
354Q52.9Low50Low189 Ų189134.1 Ų134.188%0.88382%0.815SS**PPolyproline II helixtrans-58127.8172.6-173.8175.213.200109.5G352G352-Q354 PolarHBondContact O-N 3.2Å
355G54.3Low50.1Low56 Ų56134 Ų13458%0.57781%0.813SS**PPolyproline II helixtrans-60.2146.6176.400000111.4I353 M357I353-G355 PolarHBondContact O-N 2.95Å; G355-M357 PolarHBondContact O-N 2.84Å
356P56.2Low50Low132 Ų132132.1 Ų132.186%0.85781%0.809SS**PPolyproline II helixtrans-61.2125.8171.425.2-31.6000109.3
357M53.2Low49.8Very low185 Ų185131.8 Ų131.891%0.91181%0.806SS**PPolyproline II helixtrans-57.2134.4172.3179.8167.247.100110.2G355G355-M357 PolarHBondContact O-N 2.84Å
358G50Low50Low64 Ų64131.5 Ų131.566%0.6681%0.809SS**PPolyproline II helixtrans-63.3147.4-174.100000114.1
359L49.3Very low49Very low166 Ų166135.6 Ų135.687%0.86981%0.814SS**PPolyproline II helixtrans-65.3130.7171-70.7166.2000110.3
360P62.7Low48.7Very low123 Ų123135.9 Ų135.980%0.79982%0.817SS**PPolyproline II helixtrans-58.9138.9169.3-23.433.8000111.9
361G48.6Very low48.8Very low74 Ų74139.1 Ų139.176%0.76382%0.821SS**PPolyproline II helixtrans-63.8143.1-168.300000115.6
362K44.7Very low48Very low205 Ų205138.8 Ų138.889%0.89182%0.824SS**PPolyproline II helixtrans-80126.9175-49.2-179.3-175.3-175.90109.1
363H46.2Very low47.8Very low199 Ų199138.8 Ų138.892%0.92182%0.824SS**PPolyproline II helixtrans-72.7139.5169.4-98.766.1000110.8
364G40.5Very low48.7Very low73 Ų73137 Ų13775%0.75382%0.824SS**PPolyproline II helixtrans-82.2156.5-16500000116.4
365M46.5Very low47.8Very low172 Ų172138.3 Ų138.385%0.84783%0.826SS**PPolyproline II helixtrans-84.4152.6172.3-71.3178.351.800113
366P42.5Very low47.4Very low128 Ų128138.7 Ų138.783%0.83183%0.83SS**  trans-109.7136.3141.1-6.526.4000113
367G43.8Very low47.5Very low67 Ų67138.5 Ų138.569%0.69183%0.829SS**  trans-90.4-169.2177.500000113.6
368L54.3Low46.8Very low174 Ų174135.7 Ų135.791%0.91183%0.825SS**  cis-177.1140.9-14.6-115.7173.3000105.5
369K34.3Very low46.6Very low216 Ų216136.2 Ų136.294%0.93983%0.83SS**  trans-174.5138155-157171.7-177.4-179.40109.6
370G44.5Very low46.6Very low72 Ų72136.9 Ų136.974%0.74283%0.834SS**  cis-178.6148.8-6.800000107.1
371E55Low45.7Very low197 Ų197137.2 Ų137.292%0.92184%0.836SS**  trans-74161.2-162.3-56.8168.6142.400117.3
372L33.3Very low45.4Very low182 Ų182137.1 Ų137.195%0.95384%0.835SS**  trans-154.1132135.6-157.178000110.8
373G44Very low45.9Very low68 Ų68136 Ų13670%0.70184%0.838SS**  trans-91.1-142.8-171.100000116.3
374P65.8Low45.5Very low136 Ų136136.7 Ų136.788%0.88384%0.838SS**  -115.9163.1-113.630.8-15.3000113.8
375K33.7Very low45.6Very low215 Ų215136.3 Ų136.394%0.93583%0.834SS**  trans-151.8136.4158-154.5170.9-178.71780113.1
376G45.6Very low46Very low64 Ų64136.1 Ų136.166%0.6684%0.837SS**  trans-84-169.1-168.900000116.9
377P59Low45.8Very low128 Ų128139.6 Ų139.683%0.83184%0.842SS**  trans-93.2154.9-155.137-34.6000113.8
378P38.9Very low46Very low127 Ų127139.4 Ų139.483%0.82584%0.84SS**  trans-138.4132141.114.28.3000115.8
379G44.3Very low45.9Very low75 Ų75137.4 Ų137.477%0.77384%0.838SS**  trans43.9128.5132.800000124
380L50.6Low46.5Very low180 Ų180133 Ų13394%0.94283%0.834SS**  trans-63140166.8-67.8157000113.7
381P42.5Very low46.5Very low129 Ų129133.1 Ų133.184%0.83884%0.835SS**  trans-124.1148134.4-1.723000113.3
382G42.5Very low46.1Very low73 Ų73132.1 Ų132.175%0.75383%0.834SS**  trans-91.6169.5-167.600000118
383L55.1Low47.1Very low181 Ų181129.1 Ų129.195%0.94883%0.826SS**  trans42116.7150.9-66.6164.9000119.8
384K39.3Very low47.2Very low213 Ų213129.6 Ų129.693%0.92683%0.83SS**  trans-127.8127.3143.5-167.4172.9-178.4179.70109.2
385G42.5Very low46.3Very low65 Ų65134.6 Ų134.667%0.6783%0.831SS**  trans-80.7-179.7-164.300000117.1
386D53.9Low47.6Very low169 Ų169130.6 Ų130.690%0.90483%0.827SS**  trans-66.2146.9-158.5-54.2-62.4000116.5
387Q39.8Very low47.7Very low200 Ų200131.1 Ų131.194%0.93583%0.833SS**  trans-127.6134.1155.7-160.6172.71.400109.2
388G47.2Very low47Very low63 Ų63134.8 Ų134.865%0.64984%0.836SS**  trans-72.3-177.4-151.200000119.4
389P52.9Low48.3Very low133 Ų133134.9 Ų134.986%0.86484%0.836SS**  trans-79.9143.2-165.933.4-33.6000111.8
390S45.8Very low48.6Very low124 Ų124135.1 Ų135.187%0.86784%0.839SS**  trans-139.6117.7168.5-79.40000111.8
391G44Very low48.5Very low73 Ų73136.4 Ų136.475%0.75384%0.84SS**  trans55.3125.1149.400000120.3P393G391-P393 WeakPolarHBondContact O-CD 3.15Å
392I47.8Very low49.1Very low176 Ų176140.3 Ų140.390%0.90384%0.844SS**PPolyproline II helixtrans-98.1118.3166.2-50.2168.1000109.3
393P53.3Low49.4Very low120 Ų120140.1 Ų140.178%0.77984%0.842SS**PPolyproline II helixtrans-92.1149.3163.2-13.832000113.5G391G391-P393 WeakPolarHBondContact O-CD 3.15Å
394G45.7Very low49.2Very low77 Ų77140 Ų14079%0.79484%0.841SS**PPolyproline II helixtrans-80173.1-156.900000120
395R48.7Very low49.8Very low242 Ų242135.2 Ų135.291%0.91383%0.834SS**PPolyproline II helixtrans-79137-176.2-71.2-178.6175.3-158.2-1.3113.9
396P60.8Low50.5Low131 Ų131135.2 Ų135.285%0.85183%0.834SS**PPolyproline II helixtrans-74.5149.8159.8-17.932.8000113.7
397G47.5Very low50.6Low75 Ų75133.5 Ų133.577%0.77383%0.833SS**PPolyproline II helixtrans-89.4173.4-166.400000118.6
398F44.8Very low51Low204 Ų204131.9 Ų131.990%0.89583%0.83SS**PPolyproline II helixtrans-82.2138.9-174.7-72.3-90.2000114.4
399P64.6Low51.3Low129 Ų129131.6 Ų131.684%0.83883%0.827SS**PPolyproline II helixtrans-76141.3161.1-15.831.3000113
400G51.6Low51.3Low81 Ų81131.8 Ų131.884%0.83583%0.828SS**PPolyproline II helixtrans-81.9168.7-165.100000118.9
401E48.7Very low51.3Low206 Ų206133.9 Ų133.996%0.96383%0.828SS**PPolyproline II helixtrans-67.4140.6-177.1-70.2177.8141.700114.2
402K54Low51.5Low211 Ų211133.3 Ų133.392%0.91782%0.822SS**PPolyproline II helixtrans-97.5130.7169.6-148.8177.6-168.7179.60109.3
403G50.2Low51.6Low69 Ų69134.9 Ų134.971%0.71182%0.822SS**PPolyproline II helixtrans-66.6160.9-165.500000117.9
404I50Low51.7Low178 Ų178135.4 Ų135.491%0.91383%0.825SS**PPolyproline II helixtrans-75.3125.7-177.3-22.4171.2000110.1
405S52.8Low51.8Low114 Ų114134.7 Ų134.780%0.79782%0.818SS**PPolyproline II helixtrans-89.3139.7168.5-64.10000110.3
406G55.7Low51.8Low65 Ų65129.6 Ų129.667%0.6782%0.817SS**PPolyproline II helixtrans-67.1168.4-173.100000115.5N408G406-N408 PolarHBondContact O-N 3.17Å
407P57.1Low51.2Low133 Ų133133.4 Ų133.486%0.86482%0.82SS**  trans-76113.8-175.530.1-31.1000110.8
408N48.5Very low51.1Low166 Ų166132.9 Ų132.989%0.88881%0.814SS**  trans-77.9136.6165.1-94.7-3.4000110.3G406G406-N408 PolarHBondContact O-N 3.17Å
409G53.3Low51.2Low56 Ų56132.4 Ų132.458%0.57781%0.814SS**  trans-64.6175-174.700000115.4I411G409-I411 PolarHBondContact O-N 2.75Å; G409-I411 VanDerWaalsContact O-N 3.14Å
410P52Low50.3Low138 Ų138129.8 Ų129.890%0.89680%0.797SS**  trans-66.2115.6-172.127.4-32.6000110.9
411I46.4Very low49.9Very low168 Ų168127.2 Ų127.286%0.86277%0.771SS**PPolyproline II helixtrans-71.9127.2168.9-72.1173.2000108.6G409G409-I411 PolarHBondContact O-N 2.75Å; G409-I411 VanDerWaalsContact O-N 3.14Å
412G48.8Very low49.9Very low60 Ų60126.1 Ų126.162%0.61977%0.766SS**PPolyproline II helixtrans-61.6155.4-174.700000114.6P414G412-P414 WeakPolarHBondContact O-CD 2.91Å
413K48.6Very low49.3Very low209 Ų209123.4 Ų123.491%0.90976%0.76SS**PPolyproline II helixtrans-53.7124.3179.7-61.2-179.5-178.8-177.60111.2G415K413-G415 PolarHBondContact O-N 3.14Å
414P55.4Low49Very low131 Ų131123.5 Ų123.585%0.85176%0.761SS**PPolyproline II helixtrans-62.2130.9166.6-2233.9000110.7G412G412-P414 WeakPolarHBondContact O-CD 2.91Å
415G49.5Very low48.6Very low62 Ų62124 Ų12464%0.63976%0.759SS**PPolyproline II helixtrans-65.4159.6-17800000113.8K413 K417K413-G415 PolarHBondContact O-N 3.14Å; G415-K417 PolarHBondContact O-N 3.21Å
416P48.5Very low48.2Very low136 Ų136125 Ų12588%0.88376%0.763SS**PPolyproline II helixtrans-63.6124.7-176.427.1-33.1000110.7G418P416-G418 PolarHBondContact O-N 3.41Å
417K46.9Very low47.8Very low211 Ų211125.4 Ų125.492%0.91777%0.767SS**PPolyproline II helixtrans-77.1120.4173.6-168.9174.6-179.3179.30108.6G415G415-K417 PolarHBondContact O-N 3.21Å
418G46.8Very low47.2Very low63 Ų63126.5 Ų126.565%0.64977%0.766SS**PPolyproline II helixtrans-59.7150.4-168.800000115.4P416 P420P416-G418 PolarHBondContact O-N 3.41Å; G418-P420 WeakPolarHBondContact O-CD 2.76Å
419E45.8Very low46.9Very low194 Ų194125.1 Ų125.191%0.90777%0.766SS**PPolyproline II helixtrans-56.1130.9177.6-61.7-178.6159.100111.7
420P46.7Very low46.6Very low74 Ų74126 Ų12648%0.48178%0.776SS.*PPolyproline II helixtrans-98.3128149.726.7-9.3000104.4G418 G445G418-P420 WeakPolarHBondContact O-CD 2.76Å; P420-G445 VanDerWaalsContact CA-N 3.31Å; P420-G445 VanDerWaalsContact CB-N 3.25Å; P420-G445 CarbonylContact O-C 3.54Å; P420-G445 WeakPolarHBondContact O-CA 3.46Å; P420-G445 PolarHBondContact O-N 3.02Å; P420-G445 VanDerWaalsContact O-O 3.13Å
421G43.2Very low46.3Very low28 Ų28128.1 Ų128.129%0.28978%0.778SS.*  trans-132.3125.8-168.200000122I444G421-I444 VanDerWaalsContact N-CA 3.27Å; G421-I444 VanDerWaalsContact N-CG1 3.33Å; G421-I444 WeakPolarHBondContact O-CB 3.45Å; G421-I444 WeakPolarHBondContact O-CD1 3.26Å; G421-I444 WeakPolarHBondContact O-CG1 3.04Å; G421-I444 WeakPolarHBondContact O-CG2 3.46Å
422Q47.3Very low46Very low182 Ų182127 Ų12785%0.8578%0.779SS**  trans66.998.9164.7-64.7-173.60.200121I444Q422-I444 WeakPolarHBondContact O-CG2 2.81Å
423I41.1Very low45.9Very low155 Ų155127.5 Ų127.580%0.79579%0.785SS**PPolyproline II helixtrans-95.5125.5151.3-68.3172.3000108.4I444I423-I444 HydrophobicContact CG1-CG2 4.15Å
424G44.3Very low45.6Very low70 Ų70123 Ų12372%0.72278%0.78SS**PPolyproline II helixtrans-84.1172.5-175.300000115.9
425Q41.9Very low45.5Very low189 Ų189122.9 Ų122.988%0.88378%0.779SS**PPolyproline II helixtrans-58.4148.8-177.5-66.6177.8-4.500114G427Q425-G427 PolarHBondContact O-N 3.32Å
426P44.2Very low45.1Very low135 Ų135123.3 Ų123.388%0.87778%0.783SS**PPolyproline II helixtrans-68.1123.7168.5-13.928.4000111.5
427G48.3Very low44.9Very low73 Ų73123.4 Ų123.475%0.75378%0.784SS**PPolyproline II helixtrans-97.6155.9173.500000113.3Q425Q425-G427 PolarHBondContact O-N 3.32Å
428N42.8Very low44.9Very low157 Ų157121.3 Ų121.384%0.8478%0.775SS**PPolyproline II helixtrans-55.8157.1176.3-70.1-32.5000113.6G430N428-G430 PolarHBondContact O-N 2.93Å
429P43.8Very low44.8Very low136 Ų136122 Ų12288%0.88378%0.782SS**PPolyproline II helixtrans-58.3133.5-179.5-19.530.7000112.8
430G46.2Very low44.6Very low76 Ų76120 Ų12078%0.78477%0.772SS**PPolyproline II helixtrans-98.9142.5-177.500000114.5N428N428-G430 PolarHBondContact O-N 2.93Å
431L45.3Very low44.5Very low181 Ų181121 Ų12195%0.94879%0.786SS**PPolyproline II helixtrans-66.7147167.3-81.2159.9000111.7
432T40.8Very low44.4Very low144 Ų144123 Ų12388%0.88381%0.808SS**PPolyproline II helixtrans-60.7135-177.1-46.50000114.1
433G45.6Very low44.2Very low72 Ų72123.7 Ų123.774%0.74281%0.808SS**  trans-146.5133.2156.300000109.1
434S42.4Very low44.5Very low114 Ų114120.5 Ų120.580%0.79779%0.792SS**  trans-87.9179.8-167.264.10000113.2
435P54.7Low44.5Very low129 Ų129118 Ų11884%0.83877%0.767SS**  -114.6168.5-10814.410.5000114
436G39.6Very low44.6Very low71 Ų71115.4 Ų115.473%0.73276%0.764SS**  trans173.9145.6161.300000113.7
437P45.6Very low45.2Very low137 Ų137115 Ų11589%0.8976%0.761SS**  trans-94.7155.7-138.635.2-34.5000117.2
438K46.8Very low45.4Very low168 Ų168114.9 Ų114.973%0.7376%0.759SS**  trans-33.4135.9172.5-166.4-179.6-179.2-160.50118.4E440K438-E440 HydrophobicContact CD-CG 4.45Å; K438-E440 WeakPolarHBondContact CE-OE1 3.1Å; K438-E440 HydrophobicContact CG-CG 4.36Å; K438-E440 IonicContact NZ-OE1 2.68Å; K438-E440 PolarHBondContact NZ-OE1 3.3Å
439G44.2Very low45.7Very low77 Ų77113.7 Ų113.779%0.79476%0.76SS**  trans-134.6127.7150.600000109.9
440E41.5Very low45.8Very low152 Ų152118.1 Ų118.171%0.7176%0.759SS**  trans-77.4126.7-168.5-69.8174.7157.100113.1K438K438-E440 HydrophobicContact CD-CG 4.45Å; K438-E440 WeakPolarHBondContact CE-OE1 3.1Å; K438-E440 HydrophobicContact CG-CG 4.36Å; K438-E440 IonicContact NZ-OE1 2.68Å; K438-E440 PolarHBondContact NZ-OE1 3.3Å
441A44.8Very low46Very low94 Ų94117.5 Ų117.578%0.77775%0.754SS**  83.7111.399.200000116.2
442G42Very low45.8Very low72 Ų72118.3 Ų118.374%0.74275%0.752SS**  trans-139.9121.7161.500000109.9
443F43.2Very low46Very low196 Ų196116.7 Ų116.786%0.8675%0.747SS**  trans-77.3141.4-175.2-84.9-89.9000113.1
444I46Very low46.1Very low87 Ų87116.5 Ų116.545%0.44675%0.745SS.*  trans-115.8159.6-179.2-102166.1000105G421 Q422 I423G421-I444 VanDerWaalsContact N-CA 3.27Å; G421-I444 VanDerWaalsContact N-CG1 3.33Å; G421-I444 WeakPolarHBondContact O-CB 3.45Å; G421-I444 WeakPolarHBondContact O-CD1 3.26Å; G421-I444 WeakPolarHBondContact O-CG1 3.04Å; G421-I444 WeakPolarHBondContact O-CG2 3.46Å; Q422-I444 WeakPolarHBondContact O-CG2 2.81Å; I423-I444 HydrophobicContact CG1-CG2 4.15Å
445G44.3Very low46.1Very low19 Ų19118.9 Ų118.920%0.19675%0.747CS.*  trans-135.2169.3-146.900000114.9P420P420-G445 VanDerWaalsContact CA-N 3.31Å; P420-G445 VanDerWaalsContact CB-N 3.25Å; P420-G445 CarbonylContact O-C 3.54Å; P420-G445 WeakPolarHBondContact O-CA 3.46Å; P420-G445 PolarHBondContact O-N 3.02Å; P420-G445 VanDerWaalsContact O-O 3.13Å
446T44.9Very low46.2Very low134 Ų134118.5 Ų118.582%0.82275%0.745SS**PPolyproline II helixtrans-98.7134-162.549.60000111.5
447P57Low46.6Very low127 Ų127118.6 Ų118.683%0.82575%0.745SS**PPolyproline II helixtrans-53.6149.3175.2-27.434.6000114.7
448G52.7Low46.6Very low69 Ų69120.4 Ų120.471%0.71175%0.747SS**PPolyproline II helixtrans-63.6152.8-179.400000114.1
449P49.2Very low46.8Very low132 Ų132121.4 Ų121.486%0.85775%0.754SS**PPolyproline II helixtrans-67.1136.717726.4-32.2000112.1G451P449-G451 PolarHBondContact O-N 3.15Å
450R45.6Very low47.2Very low229 Ų229120.2 Ų120.286%0.86474%0.741SS**  trans-42.6120.4170-174.7176.8-177.9169.50.7111.7
451G50.3Low48Very low64 Ų64119.2 Ų119.266%0.6675%0.748SS**PPolyproline II helixtrans-58.2142.2167.900000111P449 S453P449-G451 PolarHBondContact O-N 3.15Å; G451-S453 PolarHBondContact O-N 3.19Å
452Q40.5Very low48.6Very low198 Ų198123.6 Ų123.693%0.92576%0.755SS**PPolyproline II helixtrans-54.8135.5170.4-75.4176.3-19.800110G454Q452-G454 PolarHBondContact O-N 3.36Å
453S44.3Very low49.3Very low110 Ų110122.6 Ų122.677%0.76975%0.745SS**PPolyproline II helixtrans-50.9126.9174.8-49.90000110.7G451G451-S453 PolarHBondContact O-N 3.19Å
454G47.7Very low50.1Low68 Ų68119.4 Ų119.470%0.70174%0.744SS**PPolyproline II helixtrans-62.3145.5168.600000111.1Q452Q452-G454 PolarHBondContact O-N 3.36Å
455I42.7Very low50.7Low164 Ų164124 Ų12484%0.84177%0.766SS**PPolyproline II helixtrans-57.4128.2170-52167.6000107.7G457I455-G457 PolarHBondContact O-N 3.38Å
456P56.9Low51.2Low121 Ų121125.6 Ų125.679%0.78678%0.782SS**PPolyproline II helixtrans-53.9127.2171.2-24.933.9000110.2
457G48.5Very low51.8Low72 Ų72125.4 Ų125.474%0.74278%0.783SS**PPolyproline II helixtrans-59.7142.4174.700000110.9I455 Q459I455-G457 PolarHBondContact O-N 3.38Å; G457-Q459 PolarHBondContact O-N 3.28Å
458L44.7Very low52Low176 Ų176128.1 Ų128.192%0.92179%0.785SS**PPolyproline II helixtrans-51.4125.4167.3-75.6161.6000108.8G460L458-G460 PolarHBondContact O-N 3.28Å
459Q50.9Low51.8Low188 Ų188127.8 Ų127.888%0.87978%0.781SS**  trans-56.6115.1173.9-172.8174.1800108.1G457G457-Q459 PolarHBondContact O-N 3.28Å
460G54.4Low52Low52 Ų52125.9 Ų125.954%0.53678%0.777SS.*PPolyproline II helixtrans-57.9150.9174.200000110.3L458 M462L458-G460 PolarHBondContact O-N 3.28Å; G460-M462 PolarHBondContact O-N 3.18Å
461P57Low53Low132 Ų132120.7 Ų120.786%0.85777%0.772SS**PPolyproline II helixtrans-53.4129.9175.423.2-32.2000109G463P461-G463 PolarHBondContact O-N 3.27Å; P461-G463 VanDerWaalsContact O-N 3.15Å
462M57.8Low53.2Low185 Ų185120.7 Ų120.791%0.91177%0.772SS**PPolyproline II helixtrans-50.9122.2177.5-171.416966.300108.8G460G460-M462 PolarHBondContact O-N 3.18Å
463G56.8Low54.1Low52 Ų52117.5 Ų117.554%0.53677%0.769SS.*PPolyproline II helixtrans-57.4149.6176.700000110.5P461 M465P461-G463 PolarHBondContact O-N 3.27Å; P461-G463 VanDerWaalsContact O-N 3.15Å; G463-M465 PolarHBondContact O-N 3.32Å
464P59.3Low54.7Low128 Ų128123.9 Ų123.983%0.83178%0.776SS**PPolyproline II helixtrans-54.6132.6177.523.6-32.3000109.4G466P464-G466 PolarHBondContact O-N 3.2Å; P464-G466 VanDerWaalsContact O-N 3.15Å
465M58.8Low55Low185 Ų185123.9 Ų123.991%0.91178%0.776SS**PPolyproline II helixtrans-48.6121.7175-174.3170.767.200108.8G463G463-M465 PolarHBondContact O-N 3.32Å
466G56.2Low55.5Low52 Ų52125.4 Ų125.454%0.53678%0.78SS.*PPolyproline II helixtrans-56.6146176.200000110.1P464 Q468P464-G466 PolarHBondContact O-N 3.2Å; P464-G466 VanDerWaalsContact O-N 3.15Å; G466-Q468 PolarHBondContact O-N 3.27Å
467P57.4Low55.3Low130 Ų130124.4 Ų124.484%0.84478%0.782SS**PPolyproline II helixtrans-55.1133.317923.2-32000109.5G469P467-G469 PolarHBondContact O-N 3.46Å; P467-G469 VanDerWaalsContact O-N 3.14Å
468Q59.9Low55.4Low184 Ų184124.5 Ų124.586%0.8678%0.783SS**PPolyproline II helixtrans-49.1120.9175.8-178.8177-20.400109.1G466 A470G466-Q468 PolarHBondContact O-N 3.27Å; Q468-A470 PolarHBondContact O-N 3.38Å
469G49.5Very low55.7Low62 Ų62124 Ų12464%0.63978%0.78SS**PPolyproline II helixtrans-55.7133.3177.100000109.9P467P467-G469 PolarHBondContact O-N 3.46Å; P467-G469 VanDerWaalsContact O-N 3.14Å
470A52.2Low56Low92 Ų92121.1 Ų121.176%0.7678%0.778SS**PPolyproline II helixtrans-52.6137.5176.300000109.6Q468 G472Q468-A470 PolarHBondContact O-N 3.38Å; A470-G472 PolarHBondContact O-N 3.48Å
471P67.2Low55.7Low119 Ų119121.8 Ų121.877%0.77379%0.785SS**PPolyproline II helixtrans-50.8126.4174.5-24.432.7000109.7
472G55.6Low55.4Low64 Ų64121.4 Ų121.466%0.6678%0.782SS**PPolyproline II helixtrans-56141.7177.800000110.2A470 R474A470-G472 PolarHBondContact O-N 3.48Å; G472-R474 PolarHBondContact O-N 3.5Å
473P57.5Low55Low131 Ų131119 Ų11985%0.85178%0.78SS**PPolyproline II helixtrans-55.6131.3179.923.1-31.9000109.4G475P473-G475 PolarHBondContact O-N 2.92Å; P473-G475 VanDerWaalsContact O-N 3.13Å
474R58.4Low54.5Low244 Ų244119.9 Ų119.992%0.92179%0.789SS**PPolyproline II helixtrans-53.7119.1175.3-175.4178.4-174.5172.21.3107.9G472 E476G472-R474 PolarHBondContact O-N 3.5Å; R474-E476 PolarHBondContact O-N 2.86Å
475G53.5Low53.5Low68 Ų68122.5 Ų122.570%0.70180%0.795SS**PPolyproline II helixtrans-55.3132.4178.600000110.7P473P473-G475 PolarHBondContact O-N 2.92Å; P473-G475 VanDerWaalsContact O-N 3.13Å
476E52.5Low52.9Low196 Ų196116.9 Ų116.992%0.91679%0.785SS**PPolyproline II helixtrans-58.5139175.9-70.9-176.7160.700110.3R474 G478R474-E476 PolarHBondContact O-N 2.86Å; E476-G478 PolarHBondContact O-N 2.85Å
477A53.9Low52.1Low100 Ų100124.5 Ų124.583%0.82680%0.803SS**PPolyproline II helixtrans-64.3122178.200000109.7
478G48.9Very low51.8Low74 Ų74127 Ų12776%0.76381%0.809SS**PPolyproline II helixtrans-61.3136.4176.900000111.6E476E476-G478 PolarHBondContact O-N 2.85Å
479L51Low51.4Low167 Ų167121.2 Ų121.287%0.87480%0.799SS**PPolyproline II helixtrans-60.7140.9177.4-72.3166.5000111.1G481L479-G481 PolarHBondContact O-N 2.95Å
480P57.4Low51.2Low127 Ų127126.1 Ų126.183%0.82581%0.81SS**PPolyproline II helixtrans-60.5128.1178.5-20.731.6000112
481G49.3Very low51.2Low66 Ų66131.7 Ų131.768%0.6882%0.817SS**PPolyproline II helixtrans-73.9148.4175.800000112.7L479L479-G481 PolarHBondContact O-N 2.95Å
482P50.8Low50.6Low123 Ų123129.1 Ų129.180%0.79981%0.813SS**PPolyproline II helixtrans-73.5154.6-176.230.4-33.4000112.4
483P48.1Very low50.2Low134 Ų134131.8 Ų131.887%0.8782%0.821SS**PPolyproline II helixtrans-80.5124.4-171.2-6.424.2000113.4
484G46.3Very low50.3Low71 Ų71133.9 Ų133.973%0.73282%0.821SS**  trans78.8120.4134.600000120.3
485L39.4Very low50.4Low183 Ų183124.8 Ų124.896%0.95880%0.804SS**  -159131.8128.2-143.684.5000109.6
486G46Very low50.4Low68 Ų68127.8 Ų127.870%0.70181%0.811SS**  trans-79.4163.9-166.500000116.4
487K39.9Very low51.2Low211 Ų211127 Ų12792%0.91781%0.807SS**  -167.3133.1128.9-99.4171.5-170.3-173.10108.5G489K487-G489 PolarHBondContact O-N 2.83Å
488L51.3Low51.4Low183 Ų183124.8 Ų124.896%0.95879%0.794SS**  trans-60.1126179.2-174.773000110
489G51.3Low51.9Low63 Ų63127 Ų12765%0.64980%0.795SS**  trans-140.3139.5171.700000109.3K487K487-G489 PolarHBondContact O-N 2.83Å
490D45.2Very low52.9Low165 Ų165125 Ų12588%0.88279%0.792SS**  trans-52.2139.9-160.4-61.6-57000115.9G492D490-G492 PolarHBondContact O-N 2.95Å
491K52.6Low53Low209 Ų209122.4 Ų122.491%0.90979%0.789SS**  trans-64.3105.7178.6-172.3178.1-170176.60109.9S493K491-S493 PolarHBondContact O-N 2.88Å
492G54.4Low53.6Low65 Ų65128.8 Ų128.867%0.6780%0.797SS**PPolyproline II helixtrans-55.1134.216800000111.1D490 M494D490-G492 PolarHBondContact O-N 2.95Å; G492-M494 PolarHBondContact O-N 3.29Å
493S47.4Very low54.5Low120 Ų120128.9 Ų128.984%0.83980%0.798SS**PPolyproline II helixtrans-54.4131.1176.550.30000111K491 G495K491-S493 PolarHBondContact O-N 2.88Å; S493-G495 PolarHBondContact O-N 3.44Å
494M59.4Low55.1Low174 Ų174125.4 Ų125.486%0.85779%0.787SS**PPolyproline II helixtrans-57.2124.8177.7-158.7168.472.800109.5G492G492-M494 PolarHBondContact O-N 3.29Å
495G59.8Low55.8Low53 Ų53128.1 Ų128.155%0.54679%0.791SS.*PPolyproline II helixtrans-56.8147.5174.100000110.6S493 Q497S493-G495 PolarHBondContact O-N 3.44Å; G495-Q497 PolarHBondContact O-N 2.89Å
496P54.2Low57.2Low132 Ų132125 Ų12586%0.85779%0.785SS**PPolyproline II helixtrans-57128.5-176.323.3-32.3000110G498P496-G498 PolarHBondContact O-N 2.85Å
497Q67.6Low57.8Low179 Ų179125 Ų12584%0.83679%0.785SS**PPolyproline II helixtrans-57.2125175.2-173.81752.400108.7G495G495-Q497 PolarHBondContact O-N 2.89Å
498G59.8Low58.3Low53 Ų53123.5 Ų123.555%0.54679%0.786SS.*PPolyproline II helixtrans-56.7146.1176.600000110.9P496P496-G498 PolarHBondContact O-N 2.85Å
499P57.8Low59.1Low121 Ų121122.3 Ų122.379%0.78678%0.781SS**PPolyproline II helixtrans-56.7141.3-176.923-32.4000110.5G501P499-G501 PolarHBondContact O-N 2.83Å
500P72.4Confident59.4Low125 Ų125122.7 Ų122.781%0.81279%0.785SS**PPolyproline II helixtrans-51134.1175-25.933.6000110.8K502P500-K502 PolarHBondContact O-N 2.86Å
501G60.7Low59.9Low73 Ų73123.4 Ų123.475%0.75379%0.785SS**PPolyproline II helixtrans-55.5135.7176.400000110.5P499P499-G501 PolarHBondContact O-N 2.83Å
502K60.6Low60.8Low199 Ų199119.3 Ų119.387%0.86578%0.779SS**PPolyproline II helixtrans-53.7134.6177.4-66.8-175.1179.5-175.10109.3P500 G504P500-K502 PolarHBondContact O-N 2.86Å; K502-G504 PolarHBondContact O-N 2.99Å
503P69.9Low61.2Low126 Ų126119.2 Ų119.282%0.81878%0.778SS**PPolyproline II helixtrans-50.3136.2172.5-26.133.9000110.2
504G60.4Low62Low61 Ų61119.2 Ų119.263%0.62978%0.776SS**PPolyproline II helixtrans-56.8147.717500000110.4K502 S506K502-G504 PolarHBondContact O-N 2.99Å; G504-S506 PolarHBondContact O-N 3.07Å
505P62.3Low62.5Low127 Ų127116.9 Ų116.983%0.82577%0.774SS**PPolyproline II helixtrans-56.2138.2176.124.3-32.4000109.8G507P505-G507 PolarHBondContact O-N 2.81Å
506S67.5Low62.5Low119 Ų119117.3 Ų117.383%0.83278%0.778SS**PPolyproline II helixtrans-51.4132.6174.5-58.30000110G504 L508G504-S506 PolarHBondContact O-N 3.07Å; S506-L508 PolarHBondContact O-N 3.39Å
507G59.3Low62.7Low68 Ų68117 Ų11770%0.70178%0.776SS**PPolyproline II helixtrans-54.2137.5176.700000110.7P505 N509P505-G507 PolarHBondContact O-N 2.81Å; G507-N509 PolarHBondContact O-N 3.03Å
508L51.4Low62.8Low178 Ų178114.5 Ų114.593%0.93278%0.775SS**PPolyproline II helixtrans-55.9123.8174.9-73.4164000109S506 G510S506-L508 PolarHBondContact O-N 3.39Å; L508-G510 PolarHBondContact O-N 3.01Å
509N66.9Low62.8Low159 Ų159115 Ų11585%0.8578%0.78SS**PPolyproline II helixtrans-55.4130.5171.3-80.8-11.7000109G507 M511G507-N509 PolarHBondContact O-N 3.03Å; N509-M511 PolarHBondContact O-N 2.81Å
510G57.6Low62.6Low71 Ų71115.1 Ų115.173%0.73278%0.781SS**PPolyproline II helixtrans-56.2136.217700000110.6L508L508-G510 PolarHBondContact O-N 3.01Å
511M56.2Low62.2Low179 Ų179115.4 Ų115.488%0.88278%0.783SS**PPolyproline II helixtrans-56.3134.9176.1-68.5-176.767.200109.7N509 G513N509-M511 PolarHBondContact O-N 2.81Å; M511-G513 PolarHBondContact O-N 2.84Å
512P71.7Confident61.9Low123 Ų123114.8 Ų114.880%0.79978%0.777SS**PPolyproline II helixtrans-51.7137.7171-25.533.9000110.5
513G63Low61.5Low63 Ų63111.2 Ų111.265%0.64977%0.774SS**PPolyproline II helixtrans-57.7148.5178.300000111.5M511M511-G513 PolarHBondContact O-N 2.84Å
514P63.2Low60.3Low120 Ų120111.1 Ų111.178%0.77977%0.773SS**PPolyproline II helixtrans-59.2145.4177.124.9-32.9000110.8
515P69.9Low59.3Low126 Ų126111.8 Ų111.882%0.81878%0.78SS**PPolyproline II helixtrans-53.2142.3173.7-2533.6000111.7
516G60.4Low58.2Low62 Ų62113.7 Ų113.764%0.63978%0.783SS**PPolyproline II helixtrans-59.6151.3176.500000112
517P59Low56.9Low124 Ų124111.6 Ų111.681%0.80578%0.781SS**PPolyproline II helixtrans-60.9145.517825.2-32.8000111.1
518P69.6Low55.7Low128 Ų128116.4 Ų116.483%0.83179%0.785SS**PPolyproline II helixtrans-55142175-24.433.4000112.1
519G58.1Low55Low63 Ų63115.1 Ų115.165%0.64979%0.785SS**PPolyproline II helixtrans-60.3152.5174.500000112.2
520P54.1Low53.4Low123 Ų123113.3 Ų113.380%0.79978%0.78SS**PPolyproline II helixtrans-59.9144.9178.924.8-32.8000111.1G522P520-G522 PolarHBondContact O-N 3.06Å
521P63.6Low52.2Low131 Ų131114.8 Ų114.885%0.85179%0.785SS**PPolyproline II helixtrans-54.9136.2175.9-24.233.1000111.8
522G55.4Low51Low61 Ų61111.6 Ų111.663%0.62979%0.787SS**PPolyproline II helixtrans-61.4154.3173.300000111.9P520P520-G522 PolarHBondContact O-N 3.06Å
523P51.7Low48.9Very low124 Ų124108.9 Ų108.981%0.80578%0.781SS**PPolyproline II helixtrans-59.1148.5177.924.5-32.6000111.3G525P523-G525 PolarHBondContact O-N 2.97Å
524P44.8Very low47.7Very low123 Ų123112.8 Ų112.880%0.79979%0.792SS**PPolyproline II helixtrans-57.3126.7180-21.931.9000111.7N526P524-N526 PolarHBondContact O-N 3.5Å
525G40.1Very low46.3Very low76 Ų76113.7 Ų113.778%0.78480%0.796SS**PPolyproline II helixtrans-69.4125.6171.800000110.6P523 G527P523-G525 PolarHBondContact O-N 2.97Å; G525-G527 PolarHBondContact O-N 3.47Å; G525-G527 VanDerWaalsContact O-N 3.14Å
526N38.8Very low44.8Very low166 Ų166115.7 Ų115.789%0.88880%0.8SS**  trans-61.5114.7169.5-84-4.3000109.2P524 Q528P524-N526 PolarHBondContact O-N 3.5Å; N526-Q528 PolarHBondContact O-N 3.46Å; N526-Q528 VanDerWaalsContact O-N 3.12Å
527G40.8Very low43.5Very low76 Ų76116 Ų11678%0.78480%0.803SS**  trans-66.8106.6171.400000110.8G525G525-G527 PolarHBondContact O-N 3.47Å; G525-G527 VanDerWaalsContact O-N 3.14Å
528Q33Very low42.3Very low169 Ų169113.6 Ų113.679%0.7980%0.801SS**  trans-130.893.6147.5-75.9-170.7-7.400108N526 V530N526-Q528 PolarHBondContact O-N 3.46Å; N526-Q528 VanDerWaalsContact O-N 3.12Å; Q528-V530 PolarHBondContact O-N 3.12Å; Q528-V530 VanDerWaalsContact O-N 3.13Å
529T37.5Very low40.5Very low150 Ų150116.6 Ų116.692%0.9281%0.809SS**  trans-61.8102.9154.932.10000108.2
530V32.7Very low39.3Very low122 Ų122117.5 Ų117.574%0.73982%0.817SS**  trans-119.4122.3157.5-95.10000107.7Q528 A532Q528-V530 PolarHBondContact O-N 3.12Å; Q528-V530 VanDerWaalsContact O-N 3.13Å; V530-A532 PolarHBondContact O-N 3.14Å
531A32.8Very low38.2Very low102 Ų102115.4 Ų115.484%0.84382%0.818SS**  trans-53.9127.1173.700000109.7G533A531-G533 PolarHBondContact O-N 3.15Å
532A30.9Very low36.7Very low111 Ų111118.4 Ų118.492%0.91782%0.821SS**  trans-7294.5175.300000109.8V530V530-A532 PolarHBondContact O-N 3.14Å
533G27.8Very low35.8Very low67 Ų67124.7 Ų124.769%0.69183%0.834SS**  trans-88.2135.3149.200000108.9A531A531-G533 PolarHBondContact O-N 3.15Å
534V37.4Very low35Very low144 Ų144125.2 Ų125.287%0.87384%0.835SS**  trans-56128.8176.1176.90000111.4
535T32.9Very low34.9Very low139 Ų139125.4 Ų125.485%0.85384%0.836SS**  trans-162.5140.1141.441.40000112.1
536D39.3Very low34.6Very low169 Ų169125.4 Ų125.490%0.90484%0.836SS**  trans-61.3162.7169.7-170.820000113.7
537G32.6Very low34.8Very low68 Ų68124.8 Ų124.870%0.70183%0.833SS**  trans120.5104.8167.700000115.2
538G33.5Very low34.6Very low74 Ų74133 Ų13376%0.76384%0.84SS**  trans-73.2179.6-178.300000116.2
539L33.6Very low35.2Very low191 Ų191135 Ų135100%185%0.846SS**  trans-177.2136.5150.3-93170.6000107.9
540G32Very low35.1Very low81 Ų81130.6 Ų130.684%0.83583%0.83SS**  trans-106.8-166.4-168.300000117.1
541G31Very low35.2Very low79 Ų79130.4 Ų130.481%0.81483%0.831SS**  trans104.1128.7176.400000112
542E31.1Very low35.6Very low194 Ų194129.9 Ų129.991%0.90783%0.827SS**  cis-142.2141.330.7-82.7174.7116.800112.8
543E37.3Very low36.1Very low193 Ų193135.2 Ų135.290%0.90283%0.825SS**  trans-77.1140.9159.4-87.1178.3144.700110.6
544V35.2Very low36.6Very low136 Ų136137.8 Ų137.882%0.82483%0.828SS**  trans-120.2124.1160.3-178.10000107.8
545P41.7Very low36.9Very low126 Ų126139.7 Ų139.782%0.81883%0.827SS**  trans-84.7137.6-17532.9-31.8000111.2
546G34Very low37.4Very low77 Ų77138.8 Ų138.879%0.79482%0.821SS**  trans-178.391.9175.100000113.8R548G546-R548 PolarHBondContact O-N 3.29Å
547D43.1Very low38.1Very low153 Ų153133.6 Ų133.682%0.81879%0.793SS**  trans-49.4124.1172.8-112.4-34.5000113.6
548R37.7Very low39.2Very low248 Ų248133.2 Ų133.294%0.93678%0.78SS**  trans-165.4100.2144.9-104.5171.2-158.8-167.15.8109.4G546 G550G546-R548 PolarHBondContact O-N 3.29Å; R548-G550 PolarHBondContact O-N 3.29Å
549K45.1Very low40Very low212 Ų212133.7 Ų133.792%0.92278%0.776SS**  trans-61.3101165.7-73.5179.9177176.60109.6
550G34.9Very low41Very low56 Ų56129 Ų12958%0.57776%0.76SS**  trans-111.3158.1160.800000109.9R548 A552R548-G550 PolarHBondContact O-N 3.29Å; G550-A552 PolarHBondContact O-N 3.3Å
551P35.2Very low42.6Very low118 Ų118129.6 Ų129.677%0.76674%0.743SS**  trans-62.7136.7-174.323.4-26.4000110.7Y553P551-Y553 PolarHBondContact O-N 3.37Å
552A42Very low45Very low92 Ų92127.1 Ų127.176%0.7672%0.715SS**SBendtrans-67.985.8-169.100000113.1G550G550-A552 PolarHBondContact O-N 3.3Å
553Y40.3Very low47.9Very low222 Ų222117.9 Ų117.987%0.87167%0.672SS**  trans-145.648.3162.5-61.8-78.7000111.2P551P551-Y553 PolarHBondContact O-N 3.37Å
554T38.9Very low50.7Low122 Ų122109.5 Ų109.575%0.74864%0.636SS**  trans-135.155.6172.8-270000110.2V556T554-V556 VanDerWaalsContact C-N 3.3Å; T554-V556 HydrophobicContact CG2-CG2 4.18Å; T554-V556 PolarHBondContact O-N 3.41Å; T554-V556 VanDerWaalsContact O-N 3.11Å
555Q43.9Very low53.7Low183 Ų183103.2 Ų103.286%0.85560%0.597SS**  trans-72.199154.3-121.2170-5.800105.7L557Q555-L557 PolarHBondContact O-N 3.24Å
556V43.5Very low56.4Low120 Ų12099 Ų9973%0.72757%0.57SS**  trans-63.190.4167-1800000105.7T554 S558T554-V556 VanDerWaalsContact C-N 3.3Å; T554-V556 HydrophobicContact CG2-CG2 4.18Å; T554-V556 PolarHBondContact O-N 3.41Å; T554-V556 VanDerWaalsContact O-N 3.11Å; V556-S558 VanDerWaalsContact C-N 3.32Å; V556-S558 PolarHBondContact O-N 3.09Å
557L54.2Low59.4Low60 Ų6095.4 Ų95.431%0.31453%0.532SS..  trans-59.3104.9166-77.8167.5000105.2Q555 L561 L687 P690Q555-L557 PolarHBondContact O-N 3.24Å; L557-L561 HydrophobicContact CD2-CB 4.1Å; L557-L687 HydrophobicContact CD1-CD2 4.26Å; L557-P690 HydrophobicContact CD1-CB 4.13Å; L557-P690 HydrophobicContact CD1-CG 3.72Å
558S55.1Low62Low60 Ų6088.3 Ų88.342%0.4249%0.494SS..  trans-47.9145.9170.7177.30000108.7V556 S560 L561 A562V556-S558 VanDerWaalsContact C-N 3.32Å; V556-S558 PolarHBondContact O-N 3.09Å; S558-S560 PolarHBondContact O-N 3.36Å; S558-S560 PolarHBondContact OG-N 3.18Å; S558-L561 WeakPolarHBondContact O-CA 3.29Å; S558-L561 WeakPolarHBondContact O-CB 3.44Å; S558-L561 PolarHBondContact O-N 3.37Å; S558-A562 PolarHBondContact O-N 3.17Å
559A50.8Low64.9Low84 Ų8476.6 Ų76.669%0.69445%0.45SS*.THydrogen-bonded Turntrans-56.4-17.1172.200000112.6L561A559-L561 VanDerWaalsContact C-N 3.34Å
560S54.6Low67.3Low94 Ų9468.9 Ų68.966%0.65742%0.421SS*.THydrogen-bonded Turntrans-78.2-12.5171.1-164.70000114.5S558S558-S560 PolarHBondContact O-N 3.36Å; S558-S560 PolarHBondContact OG-N 3.18Å
561L65.6Low70.1Confident92 Ų9270 Ų7048%0.48242%0.417SS..THydrogen-bonded Turntrans-110.6-15.7-176.7-82.7156.9000113.2L557 S558 A559 P563 Q590L557-L561 HydrophobicContact CD2-CB 4.1Å; S558-L561 WeakPolarHBondContact O-CA 3.29Å; S558-L561 WeakPolarHBondContact O-CB 3.44Å; S558-L561 PolarHBondContact O-N 3.37Å; A559-L561 VanDerWaalsContact C-N 3.34Å; L561-P563 WeakPolarHBondContact O-CD 3.36Å; L561-Q590 PolarHBondContact O-NE2 3.34Å
562A81.6Confident73Confident27 Ų2766.9 Ų66.922%0.22340%0.396CS..SBendtrans-79.4124178.900000110.5S558 A564S558-A562 PolarHBondContact O-N 3.17Å; A562-A564 PolarHBondContact O-N 3.12Å; A562-A564 VanDerWaalsContact O-N 3.17Å
563P91.4Very high75.6Confident0 Ų067.4 Ų67.40%038%0.382CS..  trans-63.2119.3178.5-20.832.2000110.7L561 P603 L604 Y608 F686 L687L561-P563 WeakPolarHBondContact O-CD 3.36Å; P563-P603 HydrophobicContact CB-CG 3.52Å; P563-P603 HydrophobicContact CG-CG 3.33Å; P563-L604 HydrophobicContact CG-CB 4.44Å; P563-L604 HydrophobicContact CG-CD1 3.88Å; P563-L604 HydrophobicContact CG-CG 4.28Å; P563-Y608 HydrophobicContact CB-CE1 4.19Å; P563-F686 WeakPolarHBondContact O-CA 3.23Å; P563-L687 PolarHBondContact O-N 3.36Å
564A96Very high78.3Confident18 Ų1857.3 Ų57.315%0.14934%0.344CS..EExtended strand (participates in β ladder)trans-152149.6176.500000111.2A562 Y587 G589 G685 F686A562-A564 PolarHBondContact O-N 3.12Å; A562-A564 VanDerWaalsContact O-N 3.17Å; A564-Y587 HydrophobicContact CB-CD1 4.24Å; A564-Y587 HydrophobicContact CB-CE1 3.74Å; A564-Y587 WeakPolarHBondContact O-CD1 3.3Å; A564-Y587 VanDerWaalsContact O-CE1 3.26Å; A564-Y587 WeakPolarHBondContact O-CE1 3.47Å; A564-G589 PolarHBondContact O-N 3.42Å; A564-G685 CarbonylContact C-O 3.59Å; A564-G685 VanDerWaalsContact CA-O 3.24Å; A564-G685 WeakPolarHBondContact CA-O 3.37Å; A564-F686 HydrophobicContact CB-CB 3.51Å
565F97.8Very high81Confident3 Ų355.6 Ų55.61%0.01333%0.334CS..EExtended strand (participates in β ladder)trans-146.1158.417577.6-79.2000111.6A567 Y587 Y593 F600 F610 F683 S684 G685F565-A567 HydrophobicContact CD2-CB 4.49Å; F565-Y587 CarbonylContact C-O 3.57Å; F565-Y587 WeakPolarHBondContact CA-O 3.44Å; F565-Y593 HydrophobicContact CB-CG 4.43Å; F565-Y593 HydrophobicContact CD2-CD1 4.06Å; F565-Y593 AromaticContact CD2-CD2 3.65Å; F565-Y593 HydrophobicContact CD2-CD2 3.65Å; F565-Y593 HydrophobicContact CD2-CE2 4.38Å; F565-Y593 AromaticContact CD2-CG 3.47Å; F565-Y593 HydrophobicContact CD2-CG 3.47Å; F565-Y593 VanDerWaalsContact CD2-CG 3.47Å; F565-Y593 AromaticContact CE2-CD2 3.46Å; F565-Y593 HydrophobicContact CE2-CD2 3.46Å; F565-Y593 VanDerWaalsContact CE2-CD2 3.46Å; F565-Y593 AromaticContact CE2-CE2 3.95Å; F565-Y593 HydrophobicContact CE2-CE2 3.95Å; F565-Y593 AromaticContact CE2-CG 3.82Å; F565-Y593 HydrophobicContact CE2-CG 3.82Å; F565-Y593 VanDerWaalsContact CG-CB 3.47Å; F565-Y593 HydrophobicContact CG-CD2 4.31Å; F565-Y593 AromaticContact CG-CG 3.94Å; F565-Y593 HydrophobicContact CG-CG 3.94Å; F565-Y593 AromaticContact CZ-CD2 3.96Å; F565-Y593 HydrophobicContact CZ-CD2 3.96Å; F565-F600 AromaticContact CD1-CD2 3.35Å; F565-F600 HydrophobicContact CD1-CD2 3.35Å; F565-F600 AromaticContact CD1-CE2 3.83Å; F565-F600 HydrophobicContact CD1-CE2 3.83Å; F565-F600 HydrophobicContact CD1-CG 4.17Å; F565-F600 HydrophobicContact CE1-CB 3.83Å; F565-F600 AromaticContact CE1-CD2 3.37Å; F565-F600 HydrophobicContact CE1-CD2 3.37Å; F565-F600 HydrophobicContact CE1-CE2 4.08Å; F565-F600 AromaticContact CE1-CG 3.71Å; F565-F600 HydrophobicContact CE1-CG 3.71Å; F565-F600 HydrophobicContact CG-CD2 4.38Å; F565-F600 HydrophobicContact CZ-CB 4.15Å; F565-F600 HydrophobicContact CZ-CD2 4.42Å; F565-F610 HydrophobicContact CE1-CD1 4.26Å; F565-F610 AromaticContact CE1-CE1 3.91Å; F565-F610 HydrophobicContact CE1-CE1 3.91Å; F565-F610 HydrophobicContact CZ-CD1 4.39Å; F565-F610 HydrophobicContact CZ-CE1 4.35Å; F565-F683 AromaticContact CE2-CD1 3.64Å; F565-F683 HydrophobicContact CE2-CD1 3.64Å; F565-F683 AromaticContact CE2-CE1 3.9Å; F565-F683 HydrophobicContact CE2-CE1 3.9Å; F565-F683 HydrophobicContact CE2-CG 4.03Å; F565-F683 HydrophobicContact CE2-CZ 4.49Å; F565-F683 WeakPolarHBondContact CE2-O 3.33Å; F565-F683 AromaticContact CZ-CD1 3.73Å; F565-F683 HydrophobicContact CZ-CD1 3.73Å; F565-F683 HydrophobicContact CZ-CD2 4.37Å; F565-F683 AromaticContact CZ-CE1 3.5Å; F565-F683 HydrophobicContact CZ-CE1 3.5Å; F565-F683 HydrophobicContact CZ-CE2 4.18Å; F565-F683 HydrophobicContact CZ-CG 4.17Å; F565-F683 AromaticContact CZ-CZ 3.75Å; F565-F683 HydrophobicContact CZ-CZ 3.75Å; F565-S684 WeakPolarHBondContact O-CA 3.23Å; F565-G685 WeakPolarHBondContact CD1-O 3.22Å; F565-G685 PolarHBondContact N-O 3.46Å; F565-G685 PolarHBondContact O-N 3.43Å; F565-G685 VanDerWaalsContact O-N 3.07Å
566T98.4Very high83.5Confident39 Ų3948.1 Ų48.124%0.23930%0.302CS..EExtended strand (participates in β ladder)trans-145.6124.3163.7-70.10000107.3T585 L586 Y587 F683 S684T566-T585 CarbonylContact O-C 3.57Å; T566-L586 HydrophobicContact CG2-CB 4.17Å; T566-L586 HydrophobicContact CG2-CD1 3.97Å; T566-L586 HydrophobicContact CG2-CG 4.33Å; T566-L586 PolarHBondContact O-N 2.83Å; T566-Y587 PolarHBondContact N-O 3.37Å; T566-Y587 PolarHBondContact O-N 3.36Å; T566-F683 WeakPolarHBondContact CA-O 3.37Å; T566-S684 WeakPolarHBondContact CB-OG 3.36Å; T566-S684 VanDerWaalsContact CG2-OG 3.28Å; T566-S684 WeakPolarHBondContact CG2-OG 3.33Å; T566-S684 WeakPolarHBondContact OG1-CB 3.15Å; T566-S684 PolarHBondContact OG1-OG 3.49Å
567A98.1Very high85.9Confident0 Ų045.4 Ų45.40%029%0.293CS..EExtended strand (participates in β ladder)trans-127.9147.8179.200000110.4F565 F582 R584 T585 Y593 S682 F683F565-A567 HydrophobicContact CD2-CB 4.49Å; A567-F582 HydrophobicContact CB-CB 3.5Å; A567-F582 VanDerWaalsContact CB-CB 3.5Å; A567-F582 HydrophobicContact CB-CG 4.49Å; A567-R584 CarbonylContact C-O 3.59Å; A567-R584 WeakPolarHBondContact CA-O 3.45Å; A567-T585 HydrophobicContact CB-CG2 4.2Å; A567-Y593 HydrophobicContact CB-CD1 4Å; A567-Y593 HydrophobicContact CB-CE1 3.48Å; A567-Y593 VanDerWaalsContact CB-CE1 3.48Å; A567-S682 CarbonylContact O-C 2.95Å; A567-S682 VanDerWaalsContact O-CA 3.28Å; A567-S682 WeakPolarHBondContact O-CA 3.32Å; A567-F683 PolarHBondContact N-O 3.29Å; A567-F683 PolarHBondContact O-N 3.28Å
568I98.2Very high87.9Confident5 Ų547.2 Ų47.23%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-117.7148.417762.6170.5000109.6F582 D583 R584 L586 H680 S681I568-F582 CarbonylContact O-C 3.53Å; I568-D583 PolarHBondContact O-N 2.8Å; I568-R584 HydrophobicContact CD1-CB 4.48Å; I568-R584 HydrophobicContact CD1-CG 4.26Å; I568-R584 HydrophobicContact CG1-CB 3.84Å; I568-R584 HydrophobicContact CG1-CG 4.01Å; I568-R584 WeakPolarHBondContact CG1-O 3.37Å; I568-R584 PolarHBondContact N-O 2.97Å; I568-R584 PolarHBondContact O-N 3.07Å; I568-R584 VanDerWaalsContact O-N 3.15Å; I568-L586 HydrophobicContact CD1-CD2 4.19Å; I568-L586 HydrophobicContact CG1-CD2 4.45Å; I568-L586 HydrophobicContact CG2-CD1 3.87Å; I568-L586 HydrophobicContact CG2-CG 4.14Å; I568-H680 HydrophobicContact CG2-CB 4.23Å; I568-S681 WeakPolarHBondContact CA-O 3.03Å
569L98.1Very high89.9Confident1 Ų145.8 Ų45.81%0.00529%0.291CS..  trans-87.8128.9174.5-178.166.4000108.2T571 P574 I580 K581 F582 L673 S675 S681L569-T571 WeakPolarHBondContact CD2-O 2.96Å; L569-T571 WeakPolarHBondContact CG-O 3.45Å; L569-P574 HydrophobicContact CD2-CG 3.84Å; L569-I580 HydrophobicContact CD1-CG2 4.28Å; L569-I580 HydrophobicContact CD2-CG2 4.36Å; L569-K581 VanDerWaalsContact CD1-O 3.28Å; L569-K581 WeakPolarHBondContact CD1-O 3.44Å; L569-F582 HydrophobicContact CB-CD1 3.75Å; L569-F582 HydrophobicContact CB-CE1 4.13Å; L569-L673 HydrophobicContact CD2-CD2 3.87Å; L569-L673 HydrophobicContact CD2-CG 3.99Å; L569-S675 VanDerWaalsContact O-CB 3.23Å; L569-S675 WeakPolarHBondContact O-CB 3.48Å; L569-S675 PolarHBondContact O-OG 3.27Å; L569-S681 PolarHBondContact N-O 3.49Å
570T94.8Very high92.2Very high50 Ų5041.8 Ų41.831%0.30726%0.258SS..  trans-98.7-22.7178.169.10000112.8D583 R584T570-D583 WeakPolarHBondContact CB-OD2 3.23Å; T570-D583 WeakPolarHBondContact CG2-OD2 3.35Å; T570-D583 PolarHBondContact N-OD1 2.99Å; T570-D583 PolarHBondContact OG1-OD1 3.36Å; T570-D583 PolarHBondContact OG1-OD2 3.1Å; T570-R584 HydrophobicContact CG2-CB 3.82Å
571T93.4Very high94.3Very high80 Ų8042.7 Ų42.749%0.49125%0.25SS..SBendtrans-105128.9-178.353.50000111.1L569L569-T571 WeakPolarHBondContact CD2-O 2.96Å; L569-T571 WeakPolarHBondContact CG-O 3.45Å
572P96.8Very high95.8Very high53 Ų5338.3 Ų38.334%0.34423%0.227SC..SBendtrans-73.8157.5176.331.5-34.4000110.7Y674 S675P572-Y674 HydrophobicContact CB-CD2 3.67Å; P572-Y674 HydrophobicContact CB-CE2 3.92Å; P572-S675 WeakPolarHBondContact CB-O 3.42Å; P572-S675 WeakPolarHBondContact CD-O 3.01Å
573F96.8Very high96.5Very high102 Ų10240.2 Ų40.245%0.44723%0.234SC..SBendtrans55.557.5174-44.3-62.1000113.8K617 L673 Y674F573-K617 WeakPolarHBondContact CE1-O 3.49Å; F573-L673 WeakPolarHBondContact CA-O 3.36Å; F573-L673 WeakPolarHBondContact CD1-O 3.39Å; F573-L673 PolarHBondContact N-O 2.83Å; F573-Y674 HydrophobicContact CE1-CD2 4.28Å; F573-Y674 HydrophobicContact CE2-CD2 4.15Å; F573-Y674 HydrophobicContact CE2-CE2 4.44Å; F573-Y674 AromaticContact CZ-CD2 3.74Å; F573-Y674 HydrophobicContact CZ-CD2 3.74Å; F573-Y674 HydrophobicContact CZ-CE2 4.33Å
574P96.7Very high96.7Very high11 Ų1146.2 Ų46.27%0.07126%0.256CS..PPolyproline II helixtrans-62.8160.117528.6-32.8000110.8L569 I580 M665 L673L569-P574 HydrophobicContact CD2-CG 3.84Å; P574-I580 HydrophobicContact CB-CG2 4.43Å; P574-I580 HydrophobicContact CG-CG1 4.37Å; P574-I580 HydrophobicContact CG-CG2 4.03Å; P574-M665 HydrophobicContact CG-CE 3.8Å; P574-M665 WeakPolarHBondContact O-CE 3.28Å; P574-L673 HydrophobicContact CG-CB 4.48Å; P574-L673 HydrophobicContact CG-CD2 3.67Å; P574-L673 HydrophobicContact CG-CG 4.25Å
575P95.8Very high96.8Very high86 Ų8648 Ų4856%0.55827%0.266SS*.PPolyproline II helixtrans-61.4140.1-179.225.1-34.2000112L578P575-L578 HydrophobicContact CB-CD1 4.46Å; P575-L578 HydrophobicContact CG-CD1 4.41Å
576S95.7Very high96.7Very high25 Ų2553.1 Ų53.118%0.17529%0.292CS..THydrogen-bonded Turntrans-77.3167.1171.5-49.20000111.3L578 S667 N671S576-L578 PolarHBondContact O-N 2.84Å; S576-S667 PolarHBondContact OG-O 2.89Å; S576-N671 WeakPolarHBondContact OG-CB 3.3Å
577A94.3Very high96.5Very high64 Ų6456.1 Ų56.153%0.52930%0.3SS..THydrogen-bonded Turntrans61.68.9-179.800000115.8Q664 M665A577-Q664 PolarHBondContact O-NE2 2.89Å; A577-Q664 VanDerWaalsContact O-NE2 3.12Å; A577-M665 PolarHBondContact N-O 2.83Å
578L96.2Very high96.4Very high98 Ų9857.5 Ų57.551%0.51331%0.307SS..SBendtrans-129.2157174.5-65.8174.7000110.3P575 S576 I580 Q664P575-L578 HydrophobicContact CB-CD1 4.46Å; P575-L578 HydrophobicContact CG-CD1 4.41Å; S576-L578 PolarHBondContact O-N 2.84Å; L578-I580 PolarHBondContact O-N 3.22Å; L578-Q664 WeakPolarHBondContact O-CG 3.43Å
579P98.1Very high95.6Very high29 Ų2959 Ų5919%0.18832%0.324CS..BIsolated β-bridgetrans-53.5131.8169.1-25.133.7000111.6K581 T597 I599 W662P579-K581 PolarHBondContact O-N 3.36Å; P579-T597 WeakPolarHBondContact CB-O 3.43Å; P579-I599 HydrophobicContact CB-CG1 4.19Å; P579-I599 HydrophobicContact CG-CD1 4.28Å; P579-I599 HydrophobicContact CG-CG1 4.24Å; P579-W662 HydrophobicContact CB-CB 4.17Å; P579-W662 HydrophobicContact CB-CG 3.95Å; P579-W662 HydrophobicContact CG-CD2 4.45Å; P579-W662 HydrophobicContact CG-CG 4.08Å
580I98.3Very high95Very high1 Ų162 Ų621%0.00534%0.338CS..  trans-72.6121.8177.1-63.7160.4000108.2L569 P574 L578 F582 G598 V623 V663 M665 L673L569-I580 HydrophobicContact CD1-CG2 4.28Å; L569-I580 HydrophobicContact CD2-CG2 4.36Å; P574-I580 HydrophobicContact CB-CG2 4.43Å; P574-I580 HydrophobicContact CG-CG1 4.37Å; P574-I580 HydrophobicContact CG-CG2 4.03Å; L578-I580 PolarHBondContact O-N 3.22Å; I580-F582 HydrophobicContact CB-CD2 4.45Å; I580-F582 HydrophobicContact CB-CE2 3.81Å; I580-F582 HydrophobicContact CB-CZ 4.21Å; I580-F582 HydrophobicContact CG2-CD2 4.04Å; I580-F582 HydrophobicContact CG2-CE1 4.23Å; I580-F582 HydrophobicContact CG2-CE2 3.58Å; I580-F582 HydrophobicContact CG2-CZ 3.66Å; I580-F582 WeakPolarHBondContact O-CD2 3.18Å; I580-F582 PolarHBondContact O-N 3.31Å; I580-G598 WeakPolarHBondContact O-CA 3.24Å; I580-V623 HydrophobicContact CD1-CG1 4.41Å; I580-V663 WeakPolarHBondContact CB-O 3.43Å; I580-V663 HydrophobicContact CD1-CB 4.3Å; I580-V663 HydrophobicContact CD1-CG1 3.91Å; I580-V663 PolarHBondContact N-O 3.09Å; I580-M665 HydrophobicContact CD1-CG 4.29Å; I580-M665 HydrophobicContact CG1-CE 4.46Å; I580-L673 HydrophobicContact CD1-CD2 3.65Å; I580-L673 HydrophobicContact CG1-CD2 4.31Å; I580-L673 HydrophobicContact CG2-CD2 4.13Å
581K98.1Very high94.8Very high113 Ų11366 Ų6649%0.49136%0.358SS..  trans-86.290179.3-57.8-176.5-176.6-160.90109.9L569 P579 D583 S596L569-K581 VanDerWaalsContact CD1-O 3.28Å; L569-K581 WeakPolarHBondContact CD1-O 3.44Å; P579-K581 PolarHBondContact O-N 3.36Å; K581-D583 PolarHBondContact O-N 3.35Å; K581-S596 WeakPolarHBondContact CD-O 3.36Å; K581-S596 WeakPolarHBondContact CE-O 3.39Å; K581-S596 PolarHBondContact NZ-O 2.77Å
582F98Very high94.9Very high0 Ų062.9 Ų62.90%034%0.34CS..  trans-70.599.3166.1-54.8-96.4000107.3A567 I568 L569 I580 Y593 M614 V663 F683A567-F582 HydrophobicContact CB-CB 3.5Å; A567-F582 VanDerWaalsContact CB-CB 3.5Å; A567-F582 HydrophobicContact CB-CG 4.49Å; I568-F582 CarbonylContact O-C 3.53Å; L569-F582 HydrophobicContact CB-CD1 3.75Å; L569-F582 HydrophobicContact CB-CE1 4.13Å; I580-F582 HydrophobicContact CB-CD2 4.45Å; I580-F582 HydrophobicContact CB-CE2 3.81Å; I580-F582 HydrophobicContact CB-CZ 4.21Å; I580-F582 HydrophobicContact CG2-CD2 4.04Å; I580-F582 HydrophobicContact CG2-CE1 4.23Å; I580-F582 HydrophobicContact CG2-CE2 3.58Å; I580-F582 HydrophobicContact CG2-CZ 3.66Å; I580-F582 WeakPolarHBondContact O-CD2 3.18Å; I580-F582 PolarHBondContact O-N 3.31Å; F582-Y593 WeakPolarHBondContact CA-OH 3.14Å; F582-Y593 VanDerWaalsContact CB-OH 3.23Å; F582-Y593 WeakPolarHBondContact CB-OH 3.08Å; F582-Y593 PolarHBondContact N-OH 2.9Å; F582-Y593 WeakPolarHBondContact O-CE1 3.17Å; F582-Y593 PolarHBondContact O-OH 2.87Å; F582-M614 HydrophobicContact CE1-CE 3.65Å; F582-M614 HydrophobicContact CE1-SD 4.29Å; F582-M614 HydrophobicContact CZ-CE 3.48Å; F582-M614 VanDerWaalsContact CZ-CE 3.48Å; F582-M614 HydrophobicContact CZ-SD 4.2Å; F582-V663 HydrophobicContact CE2-CB 4.28Å; F582-F683 HydrophobicContact CD1-CB 4.07Å; F582-F683 HydrophobicContact CD2-CB 3.67Å; F582-F683 HydrophobicContact CD2-CD1 4.03Å; F582-F683 HydrophobicContact CD2-CG 4.32Å; F582-F683 HydrophobicContact CE1-CB 3.93Å; F582-F683 HydrophobicContact CE2-CB 3.5Å; F582-F683 AromaticContact CE2-CD1 3.99Å; F582-F683 HydrophobicContact CE2-CD1 3.99Å; F582-F683 HydrophobicContact CE2-CG 4.06Å; F582-F683 HydrophobicContact CG-CB 3.98Å; F582-F683 HydrophobicContact CZ-CB 3.66Å
583D95.9Very high95Very high66 Ų6660.5 Ų60.535%0.35332%0.324SS..  trans-83.7-15.7-161.758.6-70.2000113.7I568 T570 K581I568-D583 PolarHBondContact O-N 2.8Å; T570-D583 WeakPolarHBondContact CB-OD2 3.23Å; T570-D583 WeakPolarHBondContact CG2-OD2 3.35Å; T570-D583 PolarHBondContact N-OD1 2.99Å; T570-D583 PolarHBondContact OG1-OD1 3.36Å; T570-D583 PolarHBondContact OG1-OD2 3.1Å; K581-D583 PolarHBondContact O-N 3.35Å
584R96.3Very high95Very high126 Ų12657.6 Ų57.648%0.47532%0.316SS..EExtended strand (participates in β ladder)trans-118.6111.7179.3177.7173.6176.8-162.54.7111.2A567 I568 T570A567-R584 CarbonylContact C-O 3.59Å; A567-R584 WeakPolarHBondContact CA-O 3.45Å; I568-R584 HydrophobicContact CD1-CB 4.48Å; I568-R584 HydrophobicContact CD1-CG 4.26Å; I568-R584 HydrophobicContact CG1-CB 3.84Å; I568-R584 HydrophobicContact CG1-CG 4.01Å; I568-R584 WeakPolarHBondContact CG1-O 3.37Å; I568-R584 PolarHBondContact N-O 2.97Å; I568-R584 PolarHBondContact O-N 3.07Å; I568-R584 VanDerWaalsContact O-N 3.15Å; T570-R584 HydrophobicContact CG2-CB 3.82Å
585T96.4Very high95Very high57 Ų5759.7 Ų59.735%0.3533%0.329SS..EExtended strand (participates in β ladder)trans-79.9130.6173.849.30000111.4T566 A567 N588 Y593 T595T566-T585 CarbonylContact O-C 3.57Å; A567-T585 HydrophobicContact CB-CG2 4.2Å; T585-N588 HydrophobicContact CG2-CB 4.1Å; T585-Y593 HydrophobicContact CG2-CD1 3.96Å; T585-Y593 HydrophobicContact CG2-CE1 4.35Å; T585-T595 HydrophobicContact CG2-CG2 3.58Å
586L95.9Very high95Very high109 Ų10959.4 Ų59.457%0.57133%0.329SS*.EExtended strand (participates in β ladder)trans-86-34165.6-57.1-175.5000111.1T566 I568T566-L586 HydrophobicContact CG2-CB 4.17Å; T566-L586 HydrophobicContact CG2-CD1 3.97Å; T566-L586 HydrophobicContact CG2-CG 4.33Å; T566-L586 PolarHBondContact O-N 2.83Å; I568-L586 HydrophobicContact CD1-CD2 4.19Å; I568-L586 HydrophobicContact CG1-CD2 4.45Å; I568-L586 HydrophobicContact CG2-CD1 3.87Å; I568-L586 HydrophobicContact CG2-CG 4.14Å
587Y95.7Very high95.1Very high102 Ų10260.9 Ų60.940%0.434%0.337SS..EExtended strand (participates in β ladder)trans-149.5142.1175.6-178.5-94.6000109.4A564 F565 T566 G589A564-Y587 HydrophobicContact CB-CD1 4.24Å; A564-Y587 HydrophobicContact CB-CE1 3.74Å; A564-Y587 WeakPolarHBondContact O-CD1 3.3Å; A564-Y587 VanDerWaalsContact O-CE1 3.26Å; A564-Y587 WeakPolarHBondContact O-CE1 3.47Å; F565-Y587 CarbonylContact C-O 3.57Å; F565-Y587 WeakPolarHBondContact CA-O 3.44Å; T566-Y587 PolarHBondContact N-O 3.37Å; T566-Y587 PolarHBondContact O-N 3.36Å; Y587-G589 VanDerWaalsContact CE1-N 3.34Å
588N94.7Very high95.3Very high29 Ų2957.9 Ų57.916%0.15531%0.312CS..EExtended strand (participates in β ladder)trans-157.263.5177.8-162.88.8000110.5T585 Q590 N591 A592 Y593T585-N588 HydrophobicContact CG2-CB 4.1Å; N588-Q590 PolarHBondContact O-N 3.38Å; N588-N591 PolarHBondContact O-N 2.84Å; N588-N591 WeakPolarHBondContact OD1-CA 3.21Å; N588-A592 PolarHBondContact OD1-N 3.06Å; N588-Y593 PolarHBondContact ND2-O 2.79Å; N588-Y593 PolarHBondContact OD1-N 2.83Å
589G81.6Confident95.4Very high36 Ų3654.5 Ų54.537%0.37129%0.294SS..THydrogen-bonded Turntrans-58.3-19.2-163.700000116.5A564 Y587A564-G589 PolarHBondContact O-N 3.42Å; Y587-G589 VanDerWaalsContact CE1-N 3.34Å
590Q85.3Confident95.4Very high66 Ų6653.1 Ų53.131%0.30829%0.285SS..THydrogen-bonded Turntrans-128.713.6175.2-70.8-147.2-11.200114L561 N588 A592L561-Q590 PolarHBondContact O-NE2 3.34Å; N588-Q590 PolarHBondContact O-N 3.38Å; Q590-A592 PolarHBondContact O-N 2.78Å
591N91.7Very high95.4Very high134 Ų13455.8 Ų55.872%0.71730%0.302SS*.SBendtrans51.926.1-172.6-61.8-44.6000113.9N588 Y593N588-N591 PolarHBondContact O-N 2.84Å; N588-N591 WeakPolarHBondContact OD1-CA 3.21Å; N591-Y593 VanDerWaalsContact C-N 3.26Å; N591-Y593 PolarHBondContact O-N 3.16Å
592A95Very high95.4Very high13 Ų1350.5 Ų50.511%0.10728%0.279CS..  trans-71.9-22.4-179.700000112.2N588 Q590 F600 T601 P603N588-A592 PolarHBondContact OD1-N 3.06Å; Q590-A592 PolarHBondContact O-N 2.78Å; A592-F600 HydrophobicContact CB-CD2 3.92Å; A592-F600 HydrophobicContact CB-CE2 3.49Å; A592-F600 VanDerWaalsContact CB-CE2 3.49Å; A592-F600 HydrophobicContact CB-CZ 4.25Å; A592-F600 WeakPolarHBondContact O-CA 3.45Å; A592-T601 PolarHBondContact O-N 3.13Å; A592-P603 HydrophobicContact CB-CG 4.13Å
593Y98Very high95.2Very high4 Ų452.3 Ų52.32%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-97.2130.3170.8177.2-96.1000111.1F565 A567 F582 T585 N588 N591 T595 G598 F600 F683F565-Y593 HydrophobicContact CB-CG 4.43Å; F565-Y593 HydrophobicContact CD2-CD1 4.06Å; F565-Y593 AromaticContact CD2-CD2 3.65Å; F565-Y593 HydrophobicContact CD2-CD2 3.65Å; F565-Y593 HydrophobicContact CD2-CE2 4.38Å; F565-Y593 AromaticContact CD2-CG 3.47Å; F565-Y593 HydrophobicContact CD2-CG 3.47Å; F565-Y593 VanDerWaalsContact CD2-CG 3.47Å; F565-Y593 AromaticContact CE2-CD2 3.46Å; F565-Y593 HydrophobicContact CE2-CD2 3.46Å; F565-Y593 VanDerWaalsContact CE2-CD2 3.46Å; F565-Y593 AromaticContact CE2-CE2 3.95Å; F565-Y593 HydrophobicContact CE2-CE2 3.95Å; F565-Y593 AromaticContact CE2-CG 3.82Å; F565-Y593 HydrophobicContact CE2-CG 3.82Å; F565-Y593 VanDerWaalsContact CG-CB 3.47Å; F565-Y593 HydrophobicContact CG-CD2 4.31Å; F565-Y593 AromaticContact CG-CG 3.94Å; F565-Y593 HydrophobicContact CG-CG 3.94Å; F565-Y593 AromaticContact CZ-CD2 3.96Å; F565-Y593 HydrophobicContact CZ-CD2 3.96Å; A567-Y593 HydrophobicContact CB-CD1 4Å; A567-Y593 HydrophobicContact CB-CE1 3.48Å; A567-Y593 VanDerWaalsContact CB-CE1 3.48Å; F582-Y593 WeakPolarHBondContact CA-OH 3.14Å; F582-Y593 VanDerWaalsContact CB-OH 3.23Å; F582-Y593 WeakPolarHBondContact CB-OH 3.08Å; F582-Y593 PolarHBondContact N-OH 2.9Å; F582-Y593 WeakPolarHBondContact O-CE1 3.17Å; F582-Y593 PolarHBondContact O-OH 2.87Å; T585-Y593 HydrophobicContact CG2-CD1 3.96Å; T585-Y593 HydrophobicContact CG2-CE1 4.35Å; N588-Y593 PolarHBondContact ND2-O 2.79Å; N588-Y593 PolarHBondContact OD1-N 2.83Å; N591-Y593 VanDerWaalsContact C-N 3.26Å; N591-Y593 PolarHBondContact O-N 3.16Å; Y593-T595 HydrophobicContact CD1-CG2 4.31Å; Y593-T595 HydrophobicContact CE1-CG2 3.94Å; Y593-G598 WeakPolarHBondContact OH-CA 3.19Å; Y593-F600 HydrophobicContact CD2-CB 4.26Å; Y593-F683 HydrophobicContact CE2-CD1 4.16Å; Y593-F683 HydrophobicContact CE2-CE1 4.4Å
594S97.8Very high95.1Very high40 Ų4052 Ų5228%0.2829%0.288SS..EExtended strand (participates in β ladder)trans-104.1113.5-179.9170.70000111.1S596 T597 G598 I599S594-S596 VanDerWaalsContact C-N 3.28Å; S594-S596 PolarHBondContact O-N 2.85Å; S594-S596 PolarHBondContact OG-OG 3.22Å; S594-S596 VanDerWaalsContact OG-OG 3.1Å; S594-T597 WeakPolarHBondContact CB-OG1 3.49Å; S594-T597 PolarHBondContact O-N 3.38Å; S594-T597 PolarHBondContact O-OG1 2.97Å; S594-T597 PolarHBondContact OG-OG1 3.13Å; S594-G598 WeakPolarHBondContact O-CA 3.28Å; S594-G598 PolarHBondContact O-N 3.15Å; S594-I599 PolarHBondContact N-O 3.12Å
595T96.8Very high95.1Very high56 Ų5648 Ų4834%0.34428%0.279SS..THydrogen-bonded Turntrans-68.4-25.4179.152.40000113.4T585 Y593 T597T585-T595 HydrophobicContact CG2-CG2 3.58Å; Y593-T595 HydrophobicContact CD1-CG2 4.31Å; Y593-T595 HydrophobicContact CE1-CG2 3.94Å; T595-T597 VanDerWaalsContact C-N 3.33Å
596S96.5Very high95.1Very high79 Ų7945.2 Ų45.255%0.55226%0.263SS*.THydrogen-bonded Turntrans-74.2-26.5179.260.20000112.6K581 S594K581-S596 WeakPolarHBondContact CD-O 3.36Å; K581-S596 WeakPolarHBondContact CE-O 3.39Å; K581-S596 PolarHBondContact NZ-O 2.77Å; S594-S596 VanDerWaalsContact C-N 3.28Å; S594-S596 PolarHBondContact O-N 2.85Å; S594-S596 PolarHBondContact OG-OG 3.22Å; S594-S596 VanDerWaalsContact OG-OG 3.1Å
597T97.6Very high95.2Very high57 Ų5742 Ų4235%0.3525%0.247SC..THydrogen-bonded Turntrans-109.5-29.4-177.6610000113.3P579 S594 T595 I599P579-T597 WeakPolarHBondContact CB-O 3.43Å; S594-T597 WeakPolarHBondContact CB-OG1 3.49Å; S594-T597 PolarHBondContact O-N 3.38Å; S594-T597 PolarHBondContact O-OG1 2.97Å; S594-T597 PolarHBondContact OG-OG1 3.13Å; T595-T597 VanDerWaalsContact C-N 3.33Å; T597-I599 PolarHBondContact OG1-N 3.36Å
598G97.7Very high95.3Very high0 Ų037.1 Ų37.10%023%0.228CC..THydrogen-bonded Turntrans83.511.8-171.400000114.1I580 Y593 S594 W662I580-G598 WeakPolarHBondContact O-CA 3.24Å; Y593-G598 WeakPolarHBondContact OH-CA 3.19Å; S594-G598 WeakPolarHBondContact O-CA 3.28Å; S594-G598 PolarHBondContact O-N 3.15Å; G598-W662 WeakPolarHBondContact O-CB 3.2Å
599I98.5Very high95.5Very high28 Ų2839.2 Ų39.214%0.14424%0.235CC..EExtended strand (participates in β ladder)trans-110.9136.1-170.7-58.5174000110.1P579 S594 T597 E660 W662P579-I599 HydrophobicContact CB-CG1 4.19Å; P579-I599 HydrophobicContact CG-CD1 4.28Å; P579-I599 HydrophobicContact CG-CG1 4.24Å; S594-I599 PolarHBondContact N-O 3.12Å; T597-I599 PolarHBondContact OG1-N 3.36Å; I599-E660 HydrophobicContact CG2-CB 3.81Å; I599-E660 HydrophobicContact CG2-CG 3.99Å; I599-W662 HydrophobicContact CG1-CB 4.18Å; I599-W662 HydrophobicContact CG2-CE3 4.48Å
600F98.5Very high96.3Very high0 Ų037.5 Ų37.50%022%0.217CC..EExtended strand (participates in β ladder)trans-94.4126.3164.7172.5-93.3000109.4F565 A592 Y593 A602 Y608 F610 L655 E660 V661F565-F600 AromaticContact CD1-CD2 3.35Å; F565-F600 HydrophobicContact CD1-CD2 3.35Å; F565-F600 AromaticContact CD1-CE2 3.83Å; F565-F600 HydrophobicContact CD1-CE2 3.83Å; F565-F600 HydrophobicContact CD1-CG 4.17Å; F565-F600 HydrophobicContact CE1-CB 3.83Å; F565-F600 AromaticContact CE1-CD2 3.37Å; F565-F600 HydrophobicContact CE1-CD2 3.37Å; F565-F600 HydrophobicContact CE1-CE2 4.08Å; F565-F600 AromaticContact CE1-CG 3.71Å; F565-F600 HydrophobicContact CE1-CG 3.71Å; F565-F600 HydrophobicContact CG-CD2 4.38Å; F565-F600 HydrophobicContact CZ-CB 4.15Å; F565-F600 HydrophobicContact CZ-CD2 4.42Å; A592-F600 HydrophobicContact CB-CD2 3.92Å; A592-F600 HydrophobicContact CB-CE2 3.49Å; A592-F600 VanDerWaalsContact CB-CE2 3.49Å; A592-F600 HydrophobicContact CB-CZ 4.25Å; A592-F600 WeakPolarHBondContact O-CA 3.45Å; Y593-F600 HydrophobicContact CD2-CB 4.26Å; F600-A602 HydrophobicContact CE1-CB 4.06Å; F600-Y608 HydrophobicContact CE1-CD1 4.15Å; F600-Y608 HydrophobicContact CE1-CE1 4.05Å; F600-Y608 AromaticContact CZ-CD1 3.97Å; F600-Y608 HydrophobicContact CZ-CD1 3.97Å; F600-Y608 AromaticContact CZ-CE1 3.61Å; F600-Y608 HydrophobicContact CZ-CE1 3.61Å; F600-F610 HydrophobicContact CB-CE1 4.43Å; F600-F610 AromaticContact CD1-CE1 3.79Å; F600-F610 HydrophobicContact CD1-CE1 3.79Å; F600-F610 AromaticContact CD1-CZ 3.66Å; F600-F610 HydrophobicContact CD1-CZ 3.66Å; F600-F610 HydrophobicContact CE1-CE1 4.23Å; F600-F610 AromaticContact CE1-CZ 3.8Å; F600-F610 HydrophobicContact CE1-CZ 3.8Å; F600-F610 HydrophobicContact CG-CE1 4.08Å; F600-F610 HydrophobicContact CG-CZ 4.41Å; F600-L655 HydrophobicContact CD1-CD1 4.41Å; F600-L655 HydrophobicContact CE1-CD1 3.94Å; F600-E660 CarbonylContact O-C 3.58Å; F600-E660 VanDerWaalsContact O-CA 3.3Å; F600-E660 WeakPolarHBondContact O-CA 3.36Å; F600-V661 WeakPolarHBondContact CB-O 3.15Å; F600-V661 HydrophobicContact CD1-CB 4.28Å; F600-V661 PolarHBondContact N-O 3.13Å; F600-V661 PolarHBondContact O-N 3.12Å
601T98.2Very high96.9Very high57 Ų5734.9 Ų34.935%0.3521%0.207SC..EExtended strand (participates in β ladder)trans-109.8122.1173.5-530000108.5A592 P603 D659A592-T601 PolarHBondContact O-N 3.13Å; T601-P603 WeakPolarHBondContact O-CD 3.3Å; T601-D659 WeakPolarHBondContact CA-O 3.22Å
602A97Very high97.3Very high1 Ų128.5 Ų28.51%0.00817%0.173CC..  trans-66.6115.1-176.800000110.6F600 L604 Y608 L655 K656 G658 D659F600-A602 HydrophobicContact CE1-CB 4.06Å; A602-L604 VanDerWaalsContact C-N 3.29Å; A602-Y608 HydrophobicContact CB-CE2 4.38Å; A602-L655 HydrophobicContact CB-CB 3.97Å; A602-L655 HydrophobicContact CB-CD1 3.92Å; A602-K656 WeakPolarHBondContact CB-O 3.46Å; A602-G658 PolarHBondContact O-N 3.24Å; A602-D659 HydrophobicContact CB-CB 4.49Å; A602-D659 PolarHBondContact N-O 3.2Å
603P94.6Very high97.4Very high38 Ų3831.7 Ų31.725%0.24719%0.185CC..SBendtrans-83.1-10.4178.435.9-36.9000112.2P563 A592 T601P563-P603 HydrophobicContact CB-CG 3.52Å; P563-P603 HydrophobicContact CG-CG 3.33Å; A592-P603 HydrophobicContact CB-CG 4.13Å; T601-P603 WeakPolarHBondContact O-CD 3.3Å
604L94.4Very high97.4Very high60 Ų6031.5 Ų31.531%0.31418%0.184SC..SBendtrans-140.8148.1-179.8-67.3173.1000109.2P563 A602 Y608 L687P563-L604 HydrophobicContact CG-CB 4.44Å; P563-L604 HydrophobicContact CG-CD1 3.88Å; P563-L604 HydrophobicContact CG-CG 4.28Å; A602-L604 VanDerWaalsContact C-N 3.29Å; L604-Y608 WeakPolarHBondContact O-CE2 3.48Å; L604-Y608 PolarHBondContact O-OH 3.31Å; L604-L687 HydrophobicContact CD1-CD2 4.5Å
605S96.2Very high97.5Very high41 Ų4131.5 Ų31.529%0.28718%0.18SC..  trans-75.2137.3170.8-59.90000109.9L655 E657 T691S605-L655 CarbonylContact C-O 3.6Å; S605-L655 WeakPolarHBondContact CA-O 3.43Å; S605-E657 PolarHBondContact OG-N 3.15Å; S605-T691 PolarHBondContact O-N 3.44Å; S605-T691 VanDerWaalsContact O-N 3.08Å
606G95.9Very high97.5Very high0 Ų028.8 Ų28.80%016%0.163CC..EExtended strand (participates in β ladder)trans167.4-178.5-17900000114.5Y608 E654 L655 C689 T691G606-Y608 WeakPolarHBondContact O-CD2 3.37Å; G606-E654 CarbonylContact O-C 3.51Å; G606-L655 PolarHBondContact N-O 3.15Å; G606-L655 PolarHBondContact O-N 3.37Å; G606-C689 CarbonylContact C-O 3.48Å; G606-C689 WeakPolarHBondContact CA-O 3.4Å; G606-T691 VanDerWaalsContact CA-OG1 3.28Å; G606-T691 WeakPolarHBondContact CA-OG1 3.41Å; G606-T691 PolarHBondContact N-OG1 3.48Å
607V97.8Very high97.5Very high41 Ų4128.7 Ų28.725%0.24815%0.153CC..EExtended strand (participates in β ladder)trans-90.9122.5172.4-178.10000108.7V652 L688 C689 T691V607-V652 HydrophobicContact CG1-CG1 3.26Å; V607-L688 HydrophobicContact CG1-CD1 4.19Å; V607-L688 WeakPolarHBondContact O-CA 3.47Å; V607-L688 WeakPolarHBondContact O-CB 3.43Å; V607-L688 PolarHBondContact O-N 3.47Å; V607-C689 HydrophobicContact CB-CB 4.5Å; V607-C689 PolarHBondContact N-O 3.19Å; V607-C689 PolarHBondContact O-N 3.37Å; V607-T691 HydrophobicContact CG2-CG2 4.4Å
608Y98Very high97.4Very high0 Ų028.1 Ų28.10%016%0.158CC..EExtended strand (participates in β ladder)trans-112.3145.2-179.3-73.6-99000111.1P563 F600 A602 L604 G606 F610 V652 L653 L655 F686 L687P563-Y608 HydrophobicContact CB-CE1 4.19Å; F600-Y608 HydrophobicContact CE1-CD1 4.15Å; F600-Y608 HydrophobicContact CE1-CE1 4.05Å; F600-Y608 AromaticContact CZ-CD1 3.97Å; F600-Y608 HydrophobicContact CZ-CD1 3.97Å; F600-Y608 AromaticContact CZ-CE1 3.61Å; F600-Y608 HydrophobicContact CZ-CE1 3.61Å; A602-Y608 HydrophobicContact CB-CE2 4.38Å; L604-Y608 WeakPolarHBondContact O-CE2 3.48Å; L604-Y608 PolarHBondContact O-OH 3.31Å; G606-Y608 WeakPolarHBondContact O-CD2 3.37Å; Y608-F610 VanDerWaalsContact CB-CE2 3.44Å; Y608-F610 HydrophobicContact CD1-CZ 4.49Å; Y608-F610 HydrophobicContact CG-CE2 4.31Å; Y608-F610 HydrophobicContact CG-CZ 4.44Å; Y608-V652 CarbonylContact O-C 3.51Å; Y608-V652 VanDerWaalsContact O-CA 3.29Å; Y608-V652 WeakPolarHBondContact O-CA 3.34Å; Y608-L653 PolarHBondContact N-O 3.28Å; Y608-L653 PolarHBondContact O-N 3.4Å; Y608-L655 HydrophobicContact CD1-CD1 4.45Å; Y608-L655 HydrophobicContact CD2-CB 3.72Å; Y608-L655 HydrophobicContact CD2-CD1 3.6Å; Y608-L655 HydrophobicContact CD2-CG 3.7Å; Y608-L655 HydrophobicContact CE2-CB 3.93Å; Y608-L655 HydrophobicContact CE2-CD1 4.12Å; Y608-L655 HydrophobicContact CE2-CG 4.34Å; Y608-L655 HydrophobicContact CG-CD1 3.79Å; Y608-L655 HydrophobicContact CG-CG 4.24Å; Y608-F686 CarbonylContact C-O 3.48Å; Y608-F686 WeakPolarHBondContact CA-O 3.25Å; Y608-L687 HydrophobicContact CD1-CB 4.09Å; Y608-L687 HydrophobicContact CD1-CD1 4.42Å; Y608-L687 HydrophobicContact CD2-CD1 4Å; Y608-L687 HydrophobicContact CE1-CB 3.67Å; Y608-L687 HydrophobicContact CE1-CD1 4.02Å; Y608-L687 HydrophobicContact CE1-CG 4.43Å; Y608-L687 HydrophobicContact CE2-CD1 3.58Å; Y608-L687 HydrophobicContact CG-CD1 4.41Å
609Y98.5Very high97.3Very high73 Ų7330.8 Ų30.829%0.28618%0.175SC..EExtended strand (participates in β ladder)trans-105129.1167.5179.8-98.1000109.6A611 S650 V652 G685 F686Y609-A611 HydrophobicContact CE1-CB 3.68Å; Y609-S650 WeakPolarHBondContact OH-CB 3.28Å; Y609-S650 PolarHBondContact OH-OG 3.23Å; Y609-V652 HydrophobicContact CD2-CG2 3.87Å; Y609-G685 CarbonylContact O-C 3.53Å; Y609-G685 WeakPolarHBondContact O-CA 3.35Å; Y609-F686 HydrophobicContact CD1-CD1 4.21Å; Y609-F686 AromaticContact CD1-CE1 3.4Å; Y609-F686 HydrophobicContact CD1-CE1 3.4Å; Y609-F686 AromaticContact CD1-CZ 3.74Å; Y609-F686 HydrophobicContact CD1-CZ 3.74Å; Y609-F686 HydrophobicContact CE1-CE1 4.2Å; Y609-F686 HydrophobicContact CG-CE1 4.16Å; Y609-F686 HydrophobicContact CG-CZ 4.14Å; Y609-F686 PolarHBondContact N-O 3.05Å; Y609-F686 PolarHBondContact O-N 3.32Å
610F98.6Very high97.2Very high0 Ų030.9 Ų30.90%018%0.178CC..EExtended strand (participates in β ladder)trans-117.1140.4173.4-66.5-86.9000110F565 F600 Y608 L625 S650 A651 L653 L655 V661 F683 S684F565-F610 HydrophobicContact CE1-CD1 4.26Å; F565-F610 AromaticContact CE1-CE1 3.91Å; F565-F610 HydrophobicContact CE1-CE1 3.91Å; F565-F610 HydrophobicContact CZ-CD1 4.39Å; F565-F610 HydrophobicContact CZ-CE1 4.35Å; F600-F610 HydrophobicContact CB-CE1 4.43Å; F600-F610 AromaticContact CD1-CE1 3.79Å; F600-F610 HydrophobicContact CD1-CE1 3.79Å; F600-F610 AromaticContact CD1-CZ 3.66Å; F600-F610 HydrophobicContact CD1-CZ 3.66Å; F600-F610 HydrophobicContact CE1-CE1 4.23Å; F600-F610 AromaticContact CE1-CZ 3.8Å; F600-F610 HydrophobicContact CE1-CZ 3.8Å; F600-F610 HydrophobicContact CG-CE1 4.08Å; F600-F610 HydrophobicContact CG-CZ 4.41Å; Y608-F610 VanDerWaalsContact CB-CE2 3.44Å; Y608-F610 HydrophobicContact CD1-CZ 4.49Å; Y608-F610 HydrophobicContact CG-CE2 4.31Å; Y608-F610 HydrophobicContact CG-CZ 4.44Å; F610-L625 HydrophobicContact CB-CD1 4.4Å; F610-L625 HydrophobicContact CB-CD2 3.97Å; F610-S650 CarbonylContact O-C 3.56Å; F610-S650 WeakPolarHBondContact O-CA 3.16Å; F610-S650 WeakPolarHBondContact O-CB 3.47Å; F610-A651 PolarHBondContact N-O 3.36Å; F610-A651 PolarHBondContact O-N 3.11Å; F610-L653 HydrophobicContact CD2-CB 4.36Å; F610-L653 HydrophobicContact CD2-CD1 3.81Å; F610-L653 HydrophobicContact CD2-CG 4.13Å; F610-L653 HydrophobicContact CE2-CB 4.27Å; F610-L653 HydrophobicContact CE2-CD1 4.01Å; F610-L653 HydrophobicContact CE2-CG 4.44Å; F610-L655 HydrophobicContact CE2-CD1 3.83Å; F610-L655 HydrophobicContact CZ-CD1 3.76Å; F610-V661 HydrophobicContact CD1-CG1 3.93Å; F610-V661 HydrophobicContact CD2-CG1 4.22Å; F610-V661 HydrophobicContact CE1-CB 3.97Å; F610-V661 HydrophobicContact CE1-CG1 3.71Å; F610-V661 HydrophobicContact CE1-CG2 4.45Å; F610-V661 HydrophobicContact CE2-CB 4.37Å; F610-V661 HydrophobicContact CE2-CG1 4.03Å; F610-V661 HydrophobicContact CE2-CG2 4.04Å; F610-V661 HydrophobicContact CG-CG1 4.17Å; F610-V661 HydrophobicContact CZ-CB 3.82Å; F610-V661 HydrophobicContact CZ-CG1 3.78Å; F610-V661 HydrophobicContact CZ-CG2 3.79Å; F610-F683 HydrophobicContact CB-CE2 4.22Å; F610-F683 AromaticContact CD1-CE2 3.84Å; F610-F683 HydrophobicContact CD1-CE2 3.84Å; F610-F683 AromaticContact CD1-CZ 3.79Å; F610-F683 HydrophobicContact CD1-CZ 3.79Å; F610-F683 HydrophobicContact CE1-CZ 4.36Å; F610-F683 HydrophobicContact CG-CE2 4.46Å; F610-S684 WeakPolarHBondContact CA-O 3.48Å
611A98.6Very high97.2Very high11 Ų1130.9 Ų30.99%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-140.7144.3173.300000110.2Y609 G649 F683 S684Y609-A611 HydrophobicContact CE1-CB 3.68Å; A611-G649 CarbonylContact C-O 3.14Å; A611-G649 WeakPolarHBondContact CA-O 3.49Å; A611-F683 WeakPolarHBondContact O-CD2 3.35Å; A611-S684 PolarHBondContact N-O 3.15Å; A611-S684 PolarHBondContact O-N 3.08Å; A611-S684 VanDerWaalsContact O-O 3.11Å
612Y98.6Very high97.2Very high0 Ų032.2 Ų32.20%018%0.177CC..EExtended strand (participates in β ladder)trans-140.1142.2177.555.6-95.1000110.5M614 V623 L625 T633 T635 S648 G649 V663 S682Y612-M614 HydrophobicContact CD2-CE 4.22Å; Y612-M614 HydrophobicContact CD2-CG 4.26Å; Y612-M614 HydrophobicContact CG-CE 4.31Å; Y612-V623 HydrophobicContact CD2-CG2 4.37Å; Y612-V623 HydrophobicContact CE2-CG2 3.74Å; Y612-L625 HydrophobicContact CD1-CD1 4.47Å; Y612-L625 HydrophobicContact CE1-CB 3.93Å; Y612-L625 HydrophobicContact CE1-CD1 4.5Å; Y612-T633 HydrophobicContact CE1-CG2 4.24Å; Y612-T635 PolarHBondContact OH-OG1 3.09Å; Y612-S648 VanDerWaalsContact O-CA 3.3Å; Y612-S648 WeakPolarHBondContact O-CA 3.33Å; Y612-G649 WeakPolarHBondContact CD1-O 3.4Å; Y612-G649 PolarHBondContact N-O 3.34Å; Y612-G649 PolarHBondContact O-N 3.27Å; Y612-V663 HydrophobicContact CD1-CG2 4.12Å; Y612-V663 HydrophobicContact CG-CG2 4.27Å; Y612-S682 CarbonylContact C-O 3.41Å; Y612-S682 VanDerWaalsContact CA-O 3.27Å; Y612-S682 WeakPolarHBondContact CA-O 3.5Å
613H98.4Very high97.3Very high80 Ų8032.2 Ų32.237%0.3718%0.176SC..EExtended strand (participates in β ladder)trans-126.4120.2179.7-57.7-76.5000108.2S648 S681 S682H613-S648 PolarHBondContact ND1-OG 2.79Å; H613-S681 CarbonylContact O-C 3.57Å; H613-S681 WeakPolarHBondContact O-CA 3.3Å; H613-S682 PolarHBondContact N-O 3.17Å; H613-S682 PolarHBondContact O-N 3.46Å
614M98.1Very high97.4Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-119.6136.9-175.1-59-61.1131.200109.3F582 Y612 L621 Q646 A647 L673 S681 S682F582-M614 HydrophobicContact CE1-CE 3.65Å; F582-M614 HydrophobicContact CE1-SD 4.29Å; F582-M614 HydrophobicContact CZ-CE 3.48Å; F582-M614 VanDerWaalsContact CZ-CE 3.48Å; F582-M614 HydrophobicContact CZ-SD 4.2Å; Y612-M614 HydrophobicContact CD2-CE 4.22Å; Y612-M614 HydrophobicContact CD2-CG 4.26Å; Y612-M614 HydrophobicContact CG-CE 4.31Å; M614-L621 HydrophobicContact CB-CD2 3.37Å; M614-L621 HydrophobicContact CG-CD2 3.99Å; M614-Q646 CarbonylContact O-C 3.59Å; M614-Q646 WeakPolarHBondContact O-CA 3.35Å; M614-Q646 PolarHBondContact O-NE2 2.94Å; M614-Q646 VanDerWaalsContact O-NE2 3.16Å; M614-A647 PolarHBondContact N-O 3.1Å; M614-A647 PolarHBondContact O-N 2.56Å; M614-L673 HydrophobicContact CB-CD1 3.68Å; M614-L673 HydrophobicContact CG-CD1 3.92Å; M614-L673 HydrophobicContact SD-CD1 3.28Å; M614-L673 WeakPolarHBondContact SD-CD1 3.27Å; M614-L673 HydrophobicContact SD-CD2 3.93Å; M614-L673 HydrophobicContact SD-CG 4.28Å; M614-S681 WeakPolarHBondContact CA-OG 3.39Å; M614-S682 WeakPolarHBondContact CE-O 3.43Å
615H98.3Very high97.6Very high39 Ų3927.5 Ų27.518%0.18115%0.149CC..EExtended strand (participates in β ladder)trans-93.7139.8167.2-70.8-80.3000110.1D645 Y674 I679 H680 S681H615-D645 WeakPolarHBondContact CA-O 3.42Å; H615-Y674 WeakPolarHBondContact CB-O 3.35Å; H615-Y674 PolarHBondContact O-N 3.45Å; H615-I679 HydrophobicContact CB-CG2 3.94Å; H615-I679 WeakPolarHBondContact CD2-CG2 3.43Å; H615-H680 PolarHBondContact CD2-O 3.3Å; H615-S681 PolarHBondContact N-OG 2.77Å
616V98Very high97.7Very high0 Ų026.9 Ų26.90%014%0.141CC..EExtended strand (participates in β ladder)trans-112.7121.7-172.3-172.90000109.8L621 D637 M644 D645 A647 G672V616-L621 HydrophobicContact CB-CB 4.4Å; V616-L621 HydrophobicContact CG1-CB 3.87Å; V616-L621 HydrophobicContact CG2-CB 3.76Å; V616-L621 HydrophobicContact CG2-CD2 3.75Å; V616-L621 HydrophobicContact CG2-CG 4.41Å; V616-D637 HydrophobicContact CG2-CB 4.02Å; V616-M644 WeakPolarHBondContact O-CA 3.39Å; V616-M644 WeakPolarHBondContact O-CG 3.21Å; V616-D645 HydrophobicContact CB-CB 4.17Å; V616-D645 PolarHBondContact N-O 3.27Å; V616-D645 PolarHBondContact O-N 3.45Å; V616-D645 VanDerWaalsContact O-N 3.09Å; V616-A647 HydrophobicContact CG2-CB 4.07Å; V616-G672 CarbonylContact C-O 3.56Å; V616-G672 WeakPolarHBondContact CA-O 3.38Å
617K97.1Very high97.9Very high76 Ų7629.7 Ų29.733%0.3315%0.153SC..EExtended strand (participates in β ladder)trans-150.8145178.8-164.6179.1178.2178.80111.5F573 T619 Y639 G672 Y674F573-K617 WeakPolarHBondContact CE1-O 3.49Å; K617-T619 VanDerWaalsContact C-N 3.27Å; K617-T619 PolarHBondContact O-N 3.22Å; K617-T619 VanDerWaalsContact O-N 3.09Å; K617-Y639 HydrophobicContact CG-CE2 4.29Å; K617-G672 PolarHBondContact N-O 2.55Å; K617-G672 WeakPolarHBondContact O-CA 3.41Å; K617-Y674 HydrophobicContact CB-CD1 4.25Å; K617-Y674 HydrophobicContact CB-CD2 4.14Å; K617-Y674 HydrophobicContact CB-CG 3.76Å; K617-Y674 HydrophobicContact CD-CD1 3.86Å; K617-Y674 HydrophobicContact CD-CD2 3.8Å; K617-Y674 HydrophobicContact CD-CE1 3.82Å; K617-Y674 HydrophobicContact CD-CE2 3.8Å; K617-Y674 HydrophobicContact CD-CG 3.84Å; K617-Y674 HydrophobicContact CG-CG 4.47Å; K617-Y674 PolarHBondContact NZ-OH 3.04Å
618G94.5Very high97.8Very high45 Ų4530.8 Ų30.846%0.46416%0.158SC..EExtended strand (participates in β ladder)trans86.9-54.8171.100000113.3Y639G618-Y639 WeakPolarHBondContact O-CD1 3.18Å; G618-Y639 WeakPolarHBondContact O-CE1 3.28Å
619T95.4Very high97.7Very high57 Ų5736.7 Ų36.735%0.3519%0.189SC..EExtended strand (participates in β ladder)trans-134.2166.7174.955.30000109.7K617 Y639 N671 G672K617-T619 VanDerWaalsContact C-N 3.27Å; K617-T619 PolarHBondContact O-N 3.22Å; K617-T619 VanDerWaalsContact O-N 3.09Å; T619-Y639 WeakPolarHBondContact O-CB 3.45Å; T619-N671 PolarHBondContact OG1-OD1 3.16Å; T619-N671 VanDerWaalsContact OG1-OD1 3.13Å; T619-G672 WeakPolarHBondContact O-CA 3.42Å; T619-G672 WeakPolarHBondContact OG1-CA 3.2Å; T619-G672 PolarHBondContact OG1-N 3.24Å
620S97.2Very high97.7Very high29 Ų2937.8 Ų37.820%0.20320%0.203CC..EExtended strand (participates in β ladder)trans-59.1157.3171.8-58.50000110.6Y636 D637 Y639 A670 N671 G672S620-Y636 WeakPolarHBondContact CB-OH 3.48Å; S620-Y636 PolarHBondContact OG-OH 2.88Å; S620-D637 CarbonylContact C-O 3.57Å; S620-D637 WeakPolarHBondContact CA-O 3.47Å; S620-D637 WeakPolarHBondContact CB-O 3.38Å; S620-Y639 PolarHBondContact OG-N 3.24Å; S620-A670 CarbonylContact O-C 3.45Å; S620-A670 WeakPolarHBondContact O-CA 3.47Å; S620-N671 PolarHBondContact O-N 3.07Å; S620-G672 PolarHBondContact O-N 3.28Å
621L98.2Very high97.5Very high1 Ų139.8 Ų39.81%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-112.1130.6178.3-179.865.5000110.2M614 V616 V623 Y636 D637 A647 M665 L673M614-L621 HydrophobicContact CB-CD2 3.37Å; M614-L621 HydrophobicContact CG-CD2 3.99Å; V616-L621 HydrophobicContact CB-CB 4.4Å; V616-L621 HydrophobicContact CG1-CB 3.87Å; V616-L621 HydrophobicContact CG2-CB 3.76Å; V616-L621 HydrophobicContact CG2-CD2 3.75Å; V616-L621 HydrophobicContact CG2-CG 4.41Å; L621-V623 HydrophobicContact CD1-CG1 3.66Å; L621-V623 HydrophobicContact CD2-CG1 4.22Å; L621-V623 HydrophobicContact CG-CG1 3.96Å; L621-Y636 CarbonylContact O-C 3.54Å; L621-Y636 VanDerWaalsContact O-CA 3.3Å; L621-Y636 WeakPolarHBondContact O-CA 3.48Å; L621-Y636 WeakPolarHBondContact O-CD2 3.37Å; L621-D637 PolarHBondContact N-O 3.03Å; L621-D637 PolarHBondContact O-N 2.81Å; L621-A647 HydrophobicContact CD2-CB 4.3Å; L621-M665 HydrophobicContact CD1-CG 4.29Å; L621-M665 HydrophobicContact CD1-SD 3.94Å; L621-L673 HydrophobicContact CD1-CB 3.73Å; L621-L673 HydrophobicContact CD2-CD1 4.42Å
622W98.1Very high97.4Very high85 Ų8541.6 Ų41.632%0.32223%0.231SC..EExtended strand (participates in β ladder)trans-129.3113.5166.9-173.927.9000109.6Y634 Y636 M665 P666 A670W622-Y634 AromaticContact CE2-CD1 3.88Å; W622-Y634 AromaticContact CZ2-CD1 3.94Å; W622-Y634 HydrophobicContact CZ2-CD1 3.94Å; W622-Y634 AromaticContact CZ2-CE1 3.86Å; W622-Y634 HydrophobicContact CZ2-CE1 3.86Å; W622-Y634 AromaticContact NE1-CD1 3.38Å; W622-Y634 AromaticContact NE1-CG 3.99Å; W622-Y636 HydrophobicContact CB-CD2 3.82Å; W622-Y636 HydrophobicContact CB-CE2 4.36Å; W622-Y636 HydrophobicContact CG-CD2 4.19Å; W622-M665 WeakPolarHBondContact O-CA 3.42Å; W622-M665 WeakPolarHBondContact O-CG 3.32Å; W622-P666 HydrophobicContact CD2-CB 4.46Å; W622-P666 HydrophobicContact CD2-CG 4.09Å; W622-P666 HydrophobicContact CE3-CB 4.08Å; W622-P666 HydrophobicContact CE3-CG 4.21Å; W622-P666 HydrophobicContact CH2-CB 3.91Å; W622-P666 HydrophobicContact CH2-CG 4.22Å; W622-P666 HydrophobicContact CZ2-CB 4.29Å; W622-P666 HydrophobicContact CZ2-CG 4.09Å; W622-P666 HydrophobicContact CZ3-CB 3.8Å; W622-P666 HydrophobicContact CZ3-CG 4.28Å; W622-P666 VanDerWaalsContact O-CD 3.27Å; W622-P666 WeakPolarHBondContact O-CD 3.19Å; W622-A670 HydrophobicContact CB-CB 3.54Å; W622-A670 PolarHBondContact N-O 2.79Å
623V97.9Very high97.3Very high0 Ų043.4 Ų43.40%024%0.242CC..EExtended strand (participates in β ladder)trans-122149.3178-670000110.4I580 Y612 L621 Y634 T635 V663 M665I580-V623 HydrophobicContact CD1-CG1 4.41Å; Y612-V623 HydrophobicContact CD2-CG2 4.37Å; Y612-V623 HydrophobicContact CE2-CG2 3.74Å; L621-V623 HydrophobicContact CD1-CG1 3.66Å; L621-V623 HydrophobicContact CD2-CG1 4.22Å; L621-V623 HydrophobicContact CG-CG1 3.96Å; V623-Y634 WeakPolarHBondContact O-CA 3.41Å; V623-T635 PolarHBondContact N-O 3.33Å; V623-T635 PolarHBondContact O-N 2.9Å; V623-V663 HydrophobicContact CB-CG1 4.02Å; V623-V663 HydrophobicContact CG1-CG1 4.41Å; V623-M665 HydrophobicContact CG1-CG 3.72Å
624A98.1Very high97.3Very high0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans-126.3143.2168.600000110.4Y626 P631 T633 Y634 V663 Q664 P666A624-Y626 HydrophobicContact CB-CD2 4.07Å; A624-Y626 HydrophobicContact CB-CE2 3.53Å; A624-P631 HydrophobicContact CB-CB 4.21Å; A624-T633 CarbonylContact C-O 3.52Å; A624-T633 WeakPolarHBondContact CA-O 3.35Å; A624-T633 WeakPolarHBondContact CB-O 3.45Å; A624-Y634 HydrophobicContact CB-CD1 3.43Å; A624-Y634 VanDerWaalsContact CB-CD1 3.43Å; A624-Y634 HydrophobicContact CB-CE1 3.58Å; A624-Y634 HydrophobicContact CB-CG 4.3Å; A624-V663 WeakPolarHBondContact O-CA 3.35Å; A624-Q664 PolarHBondContact N-O 3.17Å; A624-Q664 PolarHBondContact O-N 3.1Å; A624-P666 HydrophobicContact CB-CG 4.17Å
625L98.6Very high97.3Very high0 Ų046.3 Ų46.30%025%0.253CS..EExtended strand (participates in β ladder)trans-87.3123.4164.7-176.672.6000107.5F610 Y612 P631 A632 T633 A651 L653 V661 W662 V663 F683F610-L625 HydrophobicContact CB-CD1 4.4Å; F610-L625 HydrophobicContact CB-CD2 3.97Å; Y612-L625 HydrophobicContact CD1-CD1 4.47Å; Y612-L625 HydrophobicContact CE1-CB 3.93Å; Y612-L625 HydrophobicContact CE1-CD1 4.5Å; L625-P631 CarbonylContact O-C 3.59Å; L625-A632 PolarHBondContact O-N 2.78Å; L625-T633 HydrophobicContact CB-CG2 3.63Å; L625-T633 HydrophobicContact CD2-CG2 4.12Å; L625-T633 PolarHBondContact N-O 3.36Å; L625-T633 PolarHBondContact O-N 2.86Å; L625-A651 HydrophobicContact CD2-CB 3.78Å; L625-L653 HydrophobicContact CD2-CD1 3.92Å; L625-V661 HydrophobicContact CD1-CG1 3.72Å; L625-V661 HydrophobicContact CG-CG1 4.19Å; L625-W662 CarbonylContact C-O 3.5Å; L625-W662 WeakPolarHBondContact CA-O 3.36Å; L625-V663 HydrophobicContact CD1-CG2 3.9Å; L625-F683 HydrophobicContact CD1-CE2 3.72Å; L625-F683 HydrophobicContact CD1-CZ 3.79Å
626Y98.5Very high97.3Very high28 Ų2850.4 Ų50.411%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-103.3143179.2-75.7-98.7000110.5A624 V630 P631 V661 W662 Q664A624-Y626 HydrophobicContact CB-CD2 4.07Å; A624-Y626 HydrophobicContact CB-CE2 3.53Å; Y626-V630 CarbonylContact C-O 3.59Å; Y626-V630 WeakPolarHBondContact CA-O 3.35Å; Y626-P631 HydrophobicContact CD1-CB 4.24Å; Y626-P631 HydrophobicContact CE1-CB 3.95Å; Y626-P631 HydrophobicContact CE1-CG 4.22Å; Y626-V661 VanDerWaalsContact O-CA 3.23Å; Y626-V661 WeakPolarHBondContact O-CA 3.39Å; Y626-V661 WeakPolarHBondContact O-CG1 3.26Å; Y626-W662 HydrophobicContact CD1-CZ2 4.15Å; Y626-W662 AromaticContact CD2-NE1 3.78Å; Y626-W662 AromaticContact CG-CE2 3.82Å; Y626-W662 AromaticContact CG-CZ2 3.95Å; Y626-W662 HydrophobicContact CG-CZ2 3.95Å; Y626-W662 AromaticContact CG-NE1 3.79Å; Y626-W662 PolarHBondContact N-O 3.04Å; Y626-W662 PolarHBondContact O-N 3.1Å; Y626-W662 VanDerWaalsContact O-N 3.17Å; Y626-Q664 HydrophobicContact CD2-CB 3.96Å; Y626-Q664 HydrophobicContact CE2-CB 3.78Å; Y626-Q664 HydrophobicContact CE2-CG 4.11Å
627K98.3Very high97.3Very high59 Ų5951.9 Ų51.926%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-121.3118.4163.5178.1-170.4172.4-177.60107.6N629 V630 L653 E654 L655 D659 E660K627-N629 VanDerWaalsContact C-N 3.3Å; K627-N629 PolarHBondContact O-N 3.43Å; K627-V630 PolarHBondContact N-O 3.05Å; K627-V630 WeakPolarHBondContact O-CA 3.27Å; K627-V630 WeakPolarHBondContact O-CB 3.39Å; K627-V630 PolarHBondContact O-N 3.44Å; K627-L653 HydrophobicContact CB-CD1 4.36Å; K627-E654 PolarHBondContact NZ-O 3.24Å; K627-L655 HydrophobicContact CD-CD2 3.7Å; K627-L655 HydrophobicContact CG-CD2 3.91Å; K627-D659 WeakPolarHBondContact CE-OD2 3.37Å; K627-D659 IonicContact NZ-OD2 3.27Å; K627-D659 PolarHBondContact NZ-OD2 3.23Å; K627-E660 CarbonylContact C-O 3.58Å; K627-E660 WeakPolarHBondContact CA-O 3.19Å
628N97.3Very high97.3Very high64 Ų6453.9 Ų53.934%0.34229%0.286SS..THydrogen-bonded Turntrans47.947.8178.5-61.7-15.8000113.6V630 D659 E660N628-V630 PolarHBondContact O-N 3.42Å; N628-D659 VanDerWaalsContact ND2-CG 3.27Å; N628-D659 PolarHBondContact ND2-OD1 3.39Å; N628-D659 WeakPolarHBondContact OD1-CA 3.42Å; N628-E660 PolarHBondContact N-O 2.84Å; N628-E660 PolarHBondContact OD1-N 3.28Å; N628-E660 PolarHBondContact OD1-O 3.29Å
629N95.5Very high97.4Very high123 Ų12354.2 Ų54.266%0.65827%0.274SS*.THydrogen-bonded Turntrans68.22.5-176.2-56.5-69.8000115.8K627 W662K627-N629 VanDerWaalsContact C-N 3.3Å; K627-N629 PolarHBondContact O-N 3.43Å; N629-W662 HydrophobicContact CB-CH2 4.24Å; N629-W662 VanDerWaalsContact OD1-CH2 3.28Å; N629-W662 WeakPolarHBondContact OD1-CH2 3.41Å
630V97.3Very high97.4Very high96 Ų9658.3 Ų58.358%0.58229%0.287SS*.EExtended strand (participates in β ladder)trans-99.5123.3173.1-176.70000109.2Y626 K627 N628 A632Y626-V630 CarbonylContact C-O 3.59Å; Y626-V630 WeakPolarHBondContact CA-O 3.35Å; K627-V630 PolarHBondContact N-O 3.05Å; K627-V630 WeakPolarHBondContact O-CA 3.27Å; K627-V630 WeakPolarHBondContact O-CB 3.39Å; K627-V630 PolarHBondContact O-N 3.44Å; N628-V630 PolarHBondContact O-N 3.42Å; V630-A632 PolarHBondContact O-N 3.06Å
631P96.4Very high97.2Very high43 Ų4366.1 Ų66.128%0.27932%0.317SS..EExtended strand (participates in β ladder)trans-67.4120.5175.525.7-30.1000109.8A624 L625 Y626 Y634A624-P631 HydrophobicContact CB-CB 4.21Å; L625-P631 CarbonylContact O-C 3.59Å; Y626-P631 HydrophobicContact CD1-CB 4.24Å; Y626-P631 HydrophobicContact CE1-CB 3.95Å; Y626-P631 HydrophobicContact CE1-CG 4.22Å; P631-Y634 HydrophobicContact CB-CE1 4Å; P631-Y634 HydrophobicContact CB-CE2 4.03Å; P631-Y634 WeakPolarHBondContact CB-OH 3.22Å; P631-Y634 HydrophobicContact CG-CE2 4.29Å; P631-Y634 WeakPolarHBondContact CG-OH 3.5Å
632A96Very high96.9Very high48 Ų4869.2 Ų69.240%0.39735%0.349SS..EExtended strand (participates in β ladder)trans-88.7-36.3179.600000112.6L625 V630 L653L625-A632 PolarHBondContact O-N 2.78Å; V630-A632 PolarHBondContact O-N 3.06Å; A632-L653 HydrophobicContact CB-CD1 4.38Å; A632-L653 HydrophobicContact CB-CD2 3.77Å
633T96.7Very high96.7Very high39 Ų3973.3 Ų73.324%0.23937%0.366CS..EExtended strand (participates in β ladder)trans-149.8154.4174.1-177.80000110.8Y612 A624 L625 A651Y612-T633 HydrophobicContact CE1-CG2 4.24Å; A624-T633 CarbonylContact C-O 3.52Å; A624-T633 WeakPolarHBondContact CA-O 3.35Å; A624-T633 WeakPolarHBondContact CB-O 3.45Å; L625-T633 HydrophobicContact CB-CG2 3.63Å; L625-T633 HydrophobicContact CD2-CG2 4.12Å; L625-T633 PolarHBondContact N-O 3.36Å; L625-T633 PolarHBondContact O-N 2.86Å; T633-A651 HydrophobicContact CG2-CB 4.18Å
634Y97.7Very high96.6Very high120 Ų12077.5 Ų77.547%0.47139%0.387SS..EExtended strand (participates in β ladder)trans-119.6139.4173.7-62.5-84.5000110.2W622 V623 A624 P631 P666W622-Y634 AromaticContact CE2-CD1 3.88Å; W622-Y634 AromaticContact CZ2-CD1 3.94Å; W622-Y634 HydrophobicContact CZ2-CD1 3.94Å; W622-Y634 AromaticContact CZ2-CE1 3.86Å; W622-Y634 HydrophobicContact CZ2-CE1 3.86Å; W622-Y634 AromaticContact NE1-CD1 3.38Å; W622-Y634 AromaticContact NE1-CG 3.99Å; V623-Y634 WeakPolarHBondContact O-CA 3.41Å; A624-Y634 HydrophobicContact CB-CD1 3.43Å; A624-Y634 VanDerWaalsContact CB-CD1 3.43Å; A624-Y634 HydrophobicContact CB-CE1 3.58Å; A624-Y634 HydrophobicContact CB-CG 4.3Å; P631-Y634 HydrophobicContact CB-CE1 4Å; P631-Y634 HydrophobicContact CB-CE2 4.03Å; P631-Y634 WeakPolarHBondContact CB-OH 3.22Å; P631-Y634 HydrophobicContact CG-CE2 4.29Å; P631-Y634 WeakPolarHBondContact CG-OH 3.5Å; Y634-P666 HydrophobicContact CE1-CG 4.37Å
635T98.3Very high96.6Very high20 Ų2081.3 Ų81.312%0.12341%0.407CS..EExtended strand (participates in β ladder)trans-123.7129.2168.3-640000108.4Y612 V623 A647Y612-T635 PolarHBondContact OH-OG1 3.09Å; V623-T635 PolarHBondContact N-O 3.33Å; V623-T635 PolarHBondContact O-N 2.9Å; T635-A647 HydrophobicContact CG2-CB 3.89Å
636Y98.1Very high96.5Very high125 Ų12585 Ų8549%0.4942%0.424SS..EExtended strand (participates in β ladder)trans-123140.5176.1-177.9-102.8000109.6S620 L621 W622 E638 A670S620-Y636 WeakPolarHBondContact CB-OH 3.48Å; S620-Y636 PolarHBondContact OG-OH 2.88Å; L621-Y636 CarbonylContact O-C 3.54Å; L621-Y636 VanDerWaalsContact O-CA 3.3Å; L621-Y636 WeakPolarHBondContact O-CA 3.48Å; L621-Y636 WeakPolarHBondContact O-CD2 3.37Å; W622-Y636 HydrophobicContact CB-CD2 3.82Å; W622-Y636 HydrophobicContact CB-CE2 4.36Å; W622-Y636 HydrophobicContact CG-CD2 4.19Å; Y636-E638 HydrophobicContact CD1-CG 4.35Å; Y636-E638 HydrophobicContact CE1-CG 3.41Å; Y636-E638 VanDerWaalsContact CE1-CG 3.41Å; Y636-A670 HydrophobicContact CE2-CB 4.24Å
637D97.9Very high96.5Very high31 Ų3184 Ų8417%0.16642%0.421CS..EExtended strand (participates in β ladder)trans-146.6139.8175-167.65.6000110.9V616 S620 L621 A647V616-D637 HydrophobicContact CG2-CB 4.02Å; S620-D637 CarbonylContact C-O 3.57Å; S620-D637 WeakPolarHBondContact CA-O 3.47Å; S620-D637 WeakPolarHBondContact CB-O 3.38Å; L621-D637 PolarHBondContact N-O 3.03Å; L621-D637 PolarHBondContact O-N 2.81Å; D637-A647 HydrophobicContact CB-CB 3.62Å
638E97Very high96.5Very high118 Ų11883.7 Ų83.755%0.55143%0.427SS*.PPolyproline II helixtrans-95.3122.9-173.5-70.1-172.6171.400111.4Y636 K640Y636-E638 HydrophobicContact CD1-CG 4.35Å; Y636-E638 HydrophobicContact CE1-CG 3.41Å; Y636-E638 VanDerWaalsContact CE1-CG 3.41Å; E638-K640 PolarHBondContact O-N 2.91Å
639Y96.5Very high96.5Very high53 Ų5381.2 Ų81.221%0.20842%0.417CS..PPolyproline II helixtrans-78.6120.3174.8176.5-110.1000111.6K617 G618 T619 S620 G642 Y643K617-Y639 HydrophobicContact CG-CE2 4.29Å; G618-Y639 WeakPolarHBondContact O-CD1 3.18Å; G618-Y639 WeakPolarHBondContact O-CE1 3.28Å; T619-Y639 WeakPolarHBondContact O-CB 3.45Å; S620-Y639 PolarHBondContact OG-N 3.24Å; Y639-G642 PolarHBondContact OH-N 2.67Å; Y639-Y643 WeakPolarHBondContact CD2-O 3.12Å; Y639-Y643 WeakPolarHBondContact CE2-O 3.23Å
640K94.8Very high96.6Very high143 Ų14378.2 Ų78.262%0.62241%0.406SS*.PPolyproline II helixtrans-91.1124.5167.6-68.7176.2-175.5167.30109.7E638 G642 Y643E638-K640 PolarHBondContact O-N 2.91Å; K640-G642 PolarHBondContact O-N 3.4Å; K640-G642 VanDerWaalsContact O-N 3.14Å; K640-Y643 HydrophobicContact CB-CD2 4.33Å; K640-Y643 PolarHBondContact O-N 2.9Å
641K93.8Very high96.7Very high192 Ų19274.5 Ų74.584%0.83539%0.385SS*.THydrogen-bonded Turntrans-50.3121.8-177.9-171.8177.7-178.21790111.6Y643K641-Y643 WeakPolarHBondContact O-CD2 3.28Å
642G92.1Very high96.7Very high66 Ų6676.7 Ų76.768%0.6840%0.397SS*.THydrogen-bonded Turntrans89.7-7.6-179.400000115.5Y639 K640Y639-G642 PolarHBondContact OH-N 2.67Å; K640-G642 PolarHBondContact O-N 3.4Å; K640-G642 VanDerWaalsContact O-N 3.14Å
643Y94.4Very high96.8Very high171 Ų17175.3 Ų75.367%0.67138%0.383SS*.  trans-120.2117.3-177.5-61.9-86.6000110.2Y639 K640 K641Y639-Y643 WeakPolarHBondContact CD2-O 3.12Å; Y639-Y643 WeakPolarHBondContact CE2-O 3.23Å; K640-Y643 HydrophobicContact CB-CD2 4.33Å; K640-Y643 PolarHBondContact O-N 2.9Å; K641-Y643 WeakPolarHBondContact O-CD2 3.28Å
644M95.3Very high96.9Very high89 Ų8979.9 Ų79.944%0.43840%0.402SS..  trans-77.9135.4172.6-174.6175.575.100109.2V616 Y674 I679V616-M644 WeakPolarHBondContact O-CA 3.39Å; V616-M644 WeakPolarHBondContact O-CG 3.21Å; M644-Y674 HydrophobicContact SD-CD1 3.83Å; M644-Y674 HydrophobicContact SD-CE1 4.12Å; M644-I679 HydrophobicContact CE-CD1 3.92Å; M644-I679 HydrophobicContact CE-CG2 4.21Å; M644-I679 HydrophobicContact SD-CD1 4Å; M644-I679 HydrophobicContact SD-CG2 4.2Å
645D97.4Very high96.9Very high79 Ų7974.2 Ų74.242%0.42238%0.38SS..EExtended strand (participates in β ladder)trans-116.7178178-141.1-27.5000111.7H615 V616H615-D645 WeakPolarHBondContact CA-O 3.42Å; V616-D645 HydrophobicContact CB-CB 4.17Å; V616-D645 PolarHBondContact N-O 3.27Å; V616-D645 PolarHBondContact O-N 3.45Å; V616-D645 VanDerWaalsContact O-N 3.09Å
646Q97.8Very high96.9Very high77 Ų7780.4 Ų80.436%0.3641%0.405SS..EExtended strand (participates in β ladder)trans-138.7116-179.4-163.9-70.3-69.900110.6M614 S648M614-Q646 CarbonylContact O-C 3.59Å; M614-Q646 WeakPolarHBondContact O-CA 3.35Å; M614-Q646 PolarHBondContact O-NE2 2.94Å; M614-Q646 VanDerWaalsContact O-NE2 3.16Å; Q646-S648 VanDerWaalsContact CD-OG 3.29Å; Q646-S648 PolarHBondContact NE2-OG 3.15Å; Q646-S648 PolarHBondContact OE1-OG 3.17Å
647A97.5Very high96.8Very high7 Ų781.2 Ų81.26%0.05841%0.413CS..EExtended strand (participates in β ladder)trans-107.4128.3177.200000111M614 V616 L621 T635 D637M614-A647 PolarHBondContact N-O 3.1Å; M614-A647 PolarHBondContact O-N 2.56Å; V616-A647 HydrophobicContact CG2-CB 4.07Å; L621-A647 HydrophobicContact CD2-CB 4.3Å; T635-A647 HydrophobicContact CG2-CB 3.89Å; D637-A647 HydrophobicContact CB-CB 3.62Å
648S98.3Very high96.7Very high53 Ų5381.9 Ų81.937%0.37143%0.427SS..EExtended strand (participates in β ladder)trans-121.6150.6177.7-60.60000111.1Y612 H613 Q646Y612-S648 VanDerWaalsContact O-CA 3.3Å; Y612-S648 WeakPolarHBondContact O-CA 3.33Å; H613-S648 PolarHBondContact ND1-OG 2.79Å; Q646-S648 VanDerWaalsContact CD-OG 3.29Å; Q646-S648 PolarHBondContact NE2-OG 3.15Å; Q646-S648 PolarHBondContact OE1-OG 3.17Å
649G97.7Very high96.8Very high13 Ų1377.3 Ų77.313%0.13441%0.406CS..EExtended strand (participates in β ladder)trans-147153.2171.400000110.8A611 Y612A611-G649 CarbonylContact C-O 3.14Å; A611-G649 WeakPolarHBondContact CA-O 3.49Å; Y612-G649 WeakPolarHBondContact CD1-O 3.4Å; Y612-G649 PolarHBondContact N-O 3.34Å; Y612-G649 PolarHBondContact O-N 3.27Å
650S98.1Very high96.9Very high60 Ų6078.3 Ų78.342%0.4241%0.413SS..EExtended strand (participates in β ladder)trans-147.2155.9172.561.40000111.1Y609 F610Y609-S650 WeakPolarHBondContact OH-CB 3.28Å; Y609-S650 PolarHBondContact OH-OG 3.23Å; F610-S650 CarbonylContact O-C 3.56Å; F610-S650 WeakPolarHBondContact O-CA 3.16Å; F610-S650 WeakPolarHBondContact O-CB 3.47Å
651A98.1Very high97.1Very high18 Ų1871.5 Ų71.515%0.14938%0.383CS..EExtended strand (participates in β ladder)trans-151146.8177.500000110.7F610 L625 T633 L653F610-A651 PolarHBondContact N-O 3.36Å; F610-A651 PolarHBondContact O-N 3.11Å; L625-A651 HydrophobicContact CD2-CB 3.78Å; T633-A651 HydrophobicContact CG2-CB 4.18Å; A651-L653 HydrophobicContact CB-CD2 4.17Å; A651-L653 HydrophobicContact CB-CG 4.34Å
652V98.3Very high97.3Very high88 Ų8862.7 Ų62.753%0.53335%0.345SS..EExtended strand (participates in β ladder)trans-97.6122.2167177.50000107.5V607 Y608 Y609 L688V607-V652 HydrophobicContact CG1-CG1 3.26Å; Y608-V652 CarbonylContact O-C 3.51Å; Y608-V652 VanDerWaalsContact O-CA 3.29Å; Y608-V652 WeakPolarHBondContact O-CA 3.34Å; Y609-V652 HydrophobicContact CD2-CG2 3.87Å; V652-L688 HydrophobicContact CG1-CD1 4.19Å; V652-L688 HydrophobicContact CG2-CD1 4.23Å
653L97.9Very high97.6Very high20 Ų2059.6 Ų59.611%0.10531%0.313CS..EExtended strand (participates in β ladder)trans-124.3127.1-177.7-56.3179.6000109.5Y608 F610 L625 K627 A632 A651 L655 V661Y608-L653 PolarHBondContact N-O 3.28Å; Y608-L653 PolarHBondContact O-N 3.4Å; F610-L653 HydrophobicContact CD2-CB 4.36Å; F610-L653 HydrophobicContact CD2-CD1 3.81Å; F610-L653 HydrophobicContact CD2-CG 4.13Å; F610-L653 HydrophobicContact CE2-CB 4.27Å; F610-L653 HydrophobicContact CE2-CD1 4.01Å; F610-L653 HydrophobicContact CE2-CG 4.44Å; L625-L653 HydrophobicContact CD2-CD1 3.92Å; K627-L653 HydrophobicContact CB-CD1 4.36Å; A632-L653 HydrophobicContact CB-CD1 4.38Å; A632-L653 HydrophobicContact CB-CD2 3.77Å; A651-L653 HydrophobicContact CB-CD2 4.17Å; A651-L653 HydrophobicContact CB-CG 4.34Å; L653-L655 HydrophobicContact CB-CD2 3.96Å; L653-L655 HydrophobicContact CB-CG 4.39Å; L653-V661 HydrophobicContact CD1-CG1 4.2Å; L653-V661 HydrophobicContact CD1-CG2 4.29Å
654E97.9Very high97.8Very high135 Ų13552.7 Ų52.763%0.63129%0.287SS*.EExtended strand (participates in β ladder)trans-76.2123.1164.6-174.3-179-177.100108.4G606 K627G606-E654 CarbonylContact O-C 3.51Å; K627-E654 PolarHBondContact NZ-O 3.24Å
655L98Very high97.9Very high1 Ų148.5 Ų48.51%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-120.7143.2-178.2-57.5-174.1000110.1F600 A602 S605 G606 Y608 F610 K627 L653 D659 V661F600-L655 HydrophobicContact CD1-CD1 4.41Å; F600-L655 HydrophobicContact CE1-CD1 3.94Å; A602-L655 HydrophobicContact CB-CB 3.97Å; A602-L655 HydrophobicContact CB-CD1 3.92Å; S605-L655 CarbonylContact C-O 3.6Å; S605-L655 WeakPolarHBondContact CA-O 3.43Å; G606-L655 PolarHBondContact N-O 3.15Å; G606-L655 PolarHBondContact O-N 3.37Å; Y608-L655 HydrophobicContact CD1-CD1 4.45Å; Y608-L655 HydrophobicContact CD2-CB 3.72Å; Y608-L655 HydrophobicContact CD2-CD1 3.6Å; Y608-L655 HydrophobicContact CD2-CG 3.7Å; Y608-L655 HydrophobicContact CE2-CB 3.93Å; Y608-L655 HydrophobicContact CE2-CD1 4.12Å; Y608-L655 HydrophobicContact CE2-CG 4.34Å; Y608-L655 HydrophobicContact CG-CD1 3.79Å; Y608-L655 HydrophobicContact CG-CG 4.24Å; F610-L655 HydrophobicContact CE2-CD1 3.83Å; F610-L655 HydrophobicContact CZ-CD1 3.76Å; K627-L655 HydrophobicContact CD-CD2 3.7Å; K627-L655 HydrophobicContact CG-CD2 3.91Å; L653-L655 HydrophobicContact CB-CD2 3.96Å; L653-L655 HydrophobicContact CB-CG 4.39Å; L655-D659 WeakPolarHBondContact CA-OD2 3.13Å; L655-D659 HydrophobicContact CB-CB 4.12Å; L655-D659 HydrophobicContact CD2-CB 4.15Å; L655-V661 HydrophobicContact CD1-CG2 3.72Å; L655-V661 HydrophobicContact CD2-CG2 3.77Å; L655-V661 HydrophobicContact CG-CG2 4.43Å
656K97.7Very high97.8Very high149 Ų14946.5 Ų46.565%0.64826%0.257SS*.  trans-91.9158.1165-64-177.5-179-178.20109.7A602 G658 D659A602-K656 WeakPolarHBondContact CB-O 3.46Å; K656-G658 PolarHBondContact O-N 3.23Å; K656-D659 PolarHBondContact N-OD2 3.45Å; K656-D659 VanDerWaalsContact O-CB 3.26Å; K656-D659 WeakPolarHBondContact O-CB 3.08Å; K656-D659 PolarHBondContact O-N 3.31Å
657E96.2Very high97.5Very high142 Ų14244 Ų4466%0.66425%0.248SC*.THydrogen-bonded Turntrans-52.6127.7170-171.7179.417200110.4S605S605-E657 PolarHBondContact OG-N 3.15Å
658G96.7Very high97.3Very high45 Ų4549.1 Ų49.146%0.46428%0.275SS..THydrogen-bonded Turntrans87.7-7.5-175.400000115.7A602 K656A602-G658 PolarHBondContact O-N 3.24Å; K656-G658 PolarHBondContact O-N 3.23Å
659D98.3Very high97Very high22 Ų2254.5 Ų54.512%0.11829%0.294CS..  trans-63.1140.3173.2-80.6-9.1000110.6T601 A602 K627 N628 L655 K656T601-D659 WeakPolarHBondContact CA-O 3.22Å; A602-D659 HydrophobicContact CB-CB 4.49Å; A602-D659 PolarHBondContact N-O 3.2Å; K627-D659 WeakPolarHBondContact CE-OD2 3.37Å; K627-D659 IonicContact NZ-OD2 3.27Å; K627-D659 PolarHBondContact NZ-OD2 3.23Å; N628-D659 VanDerWaalsContact ND2-CG 3.27Å; N628-D659 PolarHBondContact ND2-OD1 3.39Å; N628-D659 WeakPolarHBondContact OD1-CA 3.42Å; L655-D659 WeakPolarHBondContact CA-OD2 3.13Å; L655-D659 HydrophobicContact CB-CB 4.12Å; L655-D659 HydrophobicContact CD2-CB 4.15Å; K656-D659 PolarHBondContact N-OD2 3.45Å; K656-D659 VanDerWaalsContact O-CB 3.26Å; K656-D659 WeakPolarHBondContact O-CB 3.08Å; K656-D659 PolarHBondContact O-N 3.31Å
660E98.5Very high96.8Very high74 Ų7454.3 Ų54.335%0.34629%0.291SS..EExtended strand (participates in β ladder)trans-107.5137.1-178.2-66.6-174.7149.800111.6I599 F600 K627 N628 W662I599-E660 HydrophobicContact CG2-CB 3.81Å; I599-E660 HydrophobicContact CG2-CG 3.99Å; F600-E660 CarbonylContact O-C 3.58Å; F600-E660 VanDerWaalsContact O-CA 3.3Å; F600-E660 WeakPolarHBondContact O-CA 3.36Å; K627-E660 CarbonylContact C-O 3.58Å; K627-E660 WeakPolarHBondContact CA-O 3.19Å; N628-E660 PolarHBondContact N-O 2.84Å; N628-E660 PolarHBondContact OD1-N 3.28Å; N628-E660 PolarHBondContact OD1-O 3.29Å; E660-W662 HydrophobicContact CB-CE3 4.3Å; E660-W662 HydrophobicContact CB-CZ3 3.97Å
661V98.7Very high96.8Very high0 Ų053.7 Ų53.70%028%0.283CS..EExtended strand (participates in β ladder)trans-133.3133.8178.3-177.40000110.8F600 F610 L625 Y626 L653 L655 F683F600-V661 WeakPolarHBondContact CB-O 3.15Å; F600-V661 HydrophobicContact CD1-CB 4.28Å; F600-V661 PolarHBondContact N-O 3.13Å; F600-V661 PolarHBondContact O-N 3.12Å; F610-V661 HydrophobicContact CD1-CG1 3.93Å; F610-V661 HydrophobicContact CD2-CG1 4.22Å; F610-V661 HydrophobicContact CE1-CB 3.97Å; F610-V661 HydrophobicContact CE1-CG1 3.71Å; F610-V661 HydrophobicContact CE1-CG2 4.45Å; F610-V661 HydrophobicContact CE2-CB 4.37Å; F610-V661 HydrophobicContact CE2-CG1 4.03Å; F610-V661 HydrophobicContact CE2-CG2 4.04Å; F610-V661 HydrophobicContact CG-CG1 4.17Å; F610-V661 HydrophobicContact CZ-CB 3.82Å; F610-V661 HydrophobicContact CZ-CG1 3.78Å; F610-V661 HydrophobicContact CZ-CG2 3.79Å; L625-V661 HydrophobicContact CD1-CG1 3.72Å; L625-V661 HydrophobicContact CG-CG1 4.19Å; Y626-V661 VanDerWaalsContact O-CA 3.23Å; Y626-V661 WeakPolarHBondContact O-CA 3.39Å; Y626-V661 WeakPolarHBondContact O-CG1 3.26Å; L653-V661 HydrophobicContact CD1-CG1 4.2Å; L653-V661 HydrophobicContact CD1-CG2 4.29Å; L655-V661 HydrophobicContact CD1-CG2 3.72Å; L655-V661 HydrophobicContact CD2-CG2 3.77Å; L655-V661 HydrophobicContact CG-CG2 4.43Å; V661-F683 HydrophobicContact CG1-CZ 4.31Å
662W98.7Very high96.7Very high8 Ų852.8 Ų52.83%0.0328%0.276CS..EExtended strand (participates in β ladder)trans-153.3167.6177.267.396.4000112.2P579 G598 I599 L625 Y626 N629 E660 Q664P579-W662 HydrophobicContact CB-CB 4.17Å; P579-W662 HydrophobicContact CB-CG 3.95Å; P579-W662 HydrophobicContact CG-CD2 4.45Å; P579-W662 HydrophobicContact CG-CG 4.08Å; G598-W662 WeakPolarHBondContact O-CB 3.2Å; I599-W662 HydrophobicContact CG1-CB 4.18Å; I599-W662 HydrophobicContact CG2-CE3 4.48Å; L625-W662 CarbonylContact C-O 3.5Å; L625-W662 WeakPolarHBondContact CA-O 3.36Å; Y626-W662 HydrophobicContact CD1-CZ2 4.15Å; Y626-W662 AromaticContact CD2-NE1 3.78Å; Y626-W662 AromaticContact CG-CE2 3.82Å; Y626-W662 AromaticContact CG-CZ2 3.95Å; Y626-W662 HydrophobicContact CG-CZ2 3.95Å; Y626-W662 AromaticContact CG-NE1 3.79Å; Y626-W662 PolarHBondContact N-O 3.04Å; Y626-W662 PolarHBondContact O-N 3.1Å; Y626-W662 VanDerWaalsContact O-N 3.17Å; N629-W662 HydrophobicContact CB-CH2 4.24Å; N629-W662 VanDerWaalsContact OD1-CH2 3.28Å; N629-W662 WeakPolarHBondContact OD1-CH2 3.41Å; E660-W662 HydrophobicContact CB-CE3 4.3Å; E660-W662 HydrophobicContact CB-CZ3 3.97Å; W662-Q664 VanDerWaalsContact NE1-OE1 3.07Å
663V98.5Very high96.7Very high0 Ų048.6 Ų48.60%025%0.25CS..EExtended strand (participates in β ladder)trans-106.2137.7170.7-171.60000109I580 F582 Y612 V623 A624 L625 F683I580-V663 WeakPolarHBondContact CB-O 3.43Å; I580-V663 HydrophobicContact CD1-CB 4.3Å; I580-V663 HydrophobicContact CD1-CG1 3.91Å; I580-V663 PolarHBondContact N-O 3.09Å; F582-V663 HydrophobicContact CE2-CB 4.28Å; Y612-V663 HydrophobicContact CD1-CG2 4.12Å; Y612-V663 HydrophobicContact CG-CG2 4.27Å; V623-V663 HydrophobicContact CB-CG1 4.02Å; V623-V663 HydrophobicContact CG1-CG1 4.41Å; A624-V663 WeakPolarHBondContact O-CA 3.35Å; L625-V663 HydrophobicContact CD1-CG2 3.9Å; V663-F683 HydrophobicContact CG2-CD1 4.07Å; V663-F683 HydrophobicContact CG2-CD2 3.7Å; V663-F683 HydrophobicContact CG2-CE1 4.09Å; V663-F683 HydrophobicContact CG2-CE2 3.71Å; V663-F683 HydrophobicContact CG2-CG 3.88Å; V663-F683 HydrophobicContact CG2-CZ 3.91Å
664Q97.8Very high96.7Very high27 Ų2749.4 Ų49.413%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-145.4146.9179.8162.9175.1-15.900110.8A577 L578 A624 Y626 W662 P666A577-Q664 PolarHBondContact O-NE2 2.89Å; A577-Q664 VanDerWaalsContact O-NE2 3.12Å; L578-Q664 WeakPolarHBondContact O-CG 3.43Å; A624-Q664 PolarHBondContact N-O 3.17Å; A624-Q664 PolarHBondContact O-N 3.1Å; Y626-Q664 HydrophobicContact CD2-CB 3.96Å; Y626-Q664 HydrophobicContact CE2-CB 3.78Å; Y626-Q664 HydrophobicContact CE2-CG 4.11Å; W662-Q664 VanDerWaalsContact NE1-OE1 3.07Å; Q664-P666 WeakPolarHBondContact O-CD 3.46Å
665M97.6Very high96.7Very high0 Ų043 Ų430%022%0.222CC..  trans-86.4115.9168.1-67.9172-64.900109.3P574 A577 I580 L621 W622 V623 S667 N671 L673P574-M665 HydrophobicContact CG-CE 3.8Å; P574-M665 WeakPolarHBondContact O-CE 3.28Å; A577-M665 PolarHBondContact N-O 2.83Å; I580-M665 HydrophobicContact CD1-CG 4.29Å; I580-M665 HydrophobicContact CG1-CE 4.46Å; L621-M665 HydrophobicContact CD1-CG 4.29Å; L621-M665 HydrophobicContact CD1-SD 3.94Å; W622-M665 WeakPolarHBondContact O-CA 3.42Å; W622-M665 WeakPolarHBondContact O-CG 3.32Å; V623-M665 HydrophobicContact CG1-CG 3.72Å; M665-S667 VanDerWaalsContact C-N 3.27Å; M665-S667 PolarHBondContact O-N 3.14Å; M665-N671 HydrophobicContact CE-CB 4.39Å; M665-N671 VanDerWaalsContact SD-CA 3.52Å; M665-N671 HydrophobicContact SD-CB 3.87Å; M665-L673 HydrophobicContact CE-CB 4.42Å; M665-L673 HydrophobicContact SD-CB 3.78Å; M665-L673 HydrophobicContact SD-CD2 4.47Å
666P94.8Very high96.5Very high37 Ų3744.5 Ų44.524%0.2423%0.231CC..SBendtrans-70.6-21.9-176.8-19.333000114W622 A624 Y634 Q664W622-P666 HydrophobicContact CD2-CB 4.46Å; W622-P666 HydrophobicContact CD2-CG 4.09Å; W622-P666 HydrophobicContact CE3-CB 4.08Å; W622-P666 HydrophobicContact CE3-CG 4.21Å; W622-P666 HydrophobicContact CH2-CB 3.91Å; W622-P666 HydrophobicContact CH2-CG 4.22Å; W622-P666 HydrophobicContact CZ2-CB 4.29Å; W622-P666 HydrophobicContact CZ2-CG 4.09Å; W622-P666 HydrophobicContact CZ3-CB 3.8Å; W622-P666 HydrophobicContact CZ3-CG 4.28Å; W622-P666 VanDerWaalsContact O-CD 3.27Å; W622-P666 WeakPolarHBondContact O-CD 3.19Å; A624-P666 HydrophobicContact CB-CG 4.17Å; Y634-P666 HydrophobicContact CE1-CG 4.37Å; Q664-P666 WeakPolarHBondContact O-CD 3.46Å
667S92.6Very high96.2Very high25 Ų2543.8 Ų43.818%0.17523%0.231CC..  trans-134.6147.7-174.1-179.80000111.5S576 M665 Q669S576-S667 PolarHBondContact OG-O 2.89Å; M665-S667 VanDerWaalsContact C-N 3.27Å; M665-S667 PolarHBondContact O-N 3.14Å; S667-Q669 VanDerWaalsContact C-N 3.33Å; S667-Q669 PolarHBondContact OG-N 2.99Å; S667-Q669 VanDerWaalsContact OG-N 3.17Å
668D92.3Very high95.9Very high114 Ų11446.2 Ų46.261%0.6124%0.235SC*.SBendtrans-76.8-19.8171.463-18.2000112.7A670 N671D668-A670 VanDerWaalsContact C-N 3.25Å; D668-A670 PolarHBondContact O-N 3.31Å; D668-N671 PolarHBondContact O-ND2 3.15Å; D668-N671 PolarHBondContact O-OD1 2.82Å
669Q91.9Very high95.9Very high167 Ų16746.2 Ų46.278%0.7822%0.224SC*.THydrogen-bonded Turntrans-70.9-21.9178-62.1-175-19.700113.2S667S667-Q669 VanDerWaalsContact C-N 3.33Å; S667-Q669 PolarHBondContact OG-N 2.99Å; S667-Q669 VanDerWaalsContact OG-N 3.17Å
670A95.1Very high95.8Very high8 Ų848.8 Ų48.87%0.06624%0.235CC..THydrogen-bonded Turntrans-132.759-176.200000110.9S620 W622 Y636 D668S620-A670 CarbonylContact O-C 3.45Å; S620-A670 WeakPolarHBondContact O-CA 3.47Å; W622-A670 HydrophobicContact CB-CB 3.54Å; W622-A670 PolarHBondContact N-O 2.79Å; Y636-A670 HydrophobicContact CE2-CB 4.24Å; D668-A670 VanDerWaalsContact C-N 3.25Å; D668-A670 PolarHBondContact O-N 3.31Å
671N96.5Very high95.8Very high47 Ų4745.3 Ų45.325%0.25122%0.219SC..EExtended strand (participates in β ladder)trans-112.326.5-173.667.9-9.3000114.1S576 T619 S620 M665 D668 L673S576-N671 WeakPolarHBondContact OG-CB 3.3Å; T619-N671 PolarHBondContact OG1-OD1 3.16Å; T619-N671 VanDerWaalsContact OG1-OD1 3.13Å; S620-N671 PolarHBondContact O-N 3.07Å; M665-N671 HydrophobicContact CE-CB 4.39Å; M665-N671 VanDerWaalsContact SD-CA 3.52Å; M665-N671 HydrophobicContact SD-CB 3.87Å; D668-N671 PolarHBondContact O-ND2 3.15Å; D668-N671 PolarHBondContact O-OD1 2.82Å; N671-L673 PolarHBondContact O-N 3.36Å
672G97.1Very high95.8Very high0 Ų046.1 Ų46.10%023%0.225CC..EExtended strand (participates in β ladder)trans-71.532-175.300000115.5V616 K617 T619 S620 Y674V616-G672 CarbonylContact C-O 3.56Å; V616-G672 WeakPolarHBondContact CA-O 3.38Å; K617-G672 PolarHBondContact N-O 2.55Å; K617-G672 WeakPolarHBondContact O-CA 3.41Å; T619-G672 WeakPolarHBondContact O-CA 3.42Å; T619-G672 WeakPolarHBondContact OG1-CA 3.2Å; T619-G672 PolarHBondContact OG1-N 3.24Å; S620-G672 PolarHBondContact O-N 3.28Å; G672-Y674 PolarHBondContact O-N 3.03Å
673L98.1Very high95.8Very high0 Ų045.8 Ų45.80%022%0.223CC..EExtended strand (participates in β ladder)trans-73.7115.6-179.3178.455.3000110.2L569 F573 P574 I580 M614 L621 M665 N671 S681L569-L673 HydrophobicContact CD2-CD2 3.87Å; L569-L673 HydrophobicContact CD2-CG 3.99Å; F573-L673 WeakPolarHBondContact CA-O 3.36Å; F573-L673 WeakPolarHBondContact CD1-O 3.39Å; F573-L673 PolarHBondContact N-O 2.83Å; P574-L673 HydrophobicContact CG-CB 4.48Å; P574-L673 HydrophobicContact CG-CD2 3.67Å; P574-L673 HydrophobicContact CG-CG 4.25Å; I580-L673 HydrophobicContact CD1-CD2 3.65Å; I580-L673 HydrophobicContact CG1-CD2 4.31Å; I580-L673 HydrophobicContact CG2-CD2 4.13Å; M614-L673 HydrophobicContact CB-CD1 3.68Å; M614-L673 HydrophobicContact CG-CD1 3.92Å; M614-L673 HydrophobicContact SD-CD1 3.28Å; M614-L673 WeakPolarHBondContact SD-CD1 3.27Å; M614-L673 HydrophobicContact SD-CD2 3.93Å; M614-L673 HydrophobicContact SD-CG 4.28Å; L621-L673 HydrophobicContact CD1-CB 3.73Å; L621-L673 HydrophobicContact CD2-CD1 4.42Å; M665-L673 HydrophobicContact CE-CB 4.42Å; M665-L673 HydrophobicContact SD-CB 3.78Å; M665-L673 HydrophobicContact SD-CD2 4.47Å; N671-L673 PolarHBondContact O-N 3.36Å; L673-S681 WeakPolarHBondContact CD1-OG 3.38Å
674Y98Very high95.8Very high37 Ų3746.9 Ų46.915%0.14523%0.231CC..EExtended strand (participates in β ladder)trans-111.6138.6-176.4-169.9-114000111.5P572 F573 H615 K617 M644 G672 T676 I679 S681P572-Y674 HydrophobicContact CB-CD2 3.67Å; P572-Y674 HydrophobicContact CB-CE2 3.92Å; F573-Y674 HydrophobicContact CE1-CD2 4.28Å; F573-Y674 HydrophobicContact CE2-CD2 4.15Å; F573-Y674 HydrophobicContact CE2-CE2 4.44Å; F573-Y674 AromaticContact CZ-CD2 3.74Å; F573-Y674 HydrophobicContact CZ-CD2 3.74Å; F573-Y674 HydrophobicContact CZ-CE2 4.33Å; H615-Y674 WeakPolarHBondContact CB-O 3.35Å; H615-Y674 PolarHBondContact O-N 3.45Å; K617-Y674 HydrophobicContact CB-CD1 4.25Å; K617-Y674 HydrophobicContact CB-CD2 4.14Å; K617-Y674 HydrophobicContact CB-CG 3.76Å; K617-Y674 HydrophobicContact CD-CD1 3.86Å; K617-Y674 HydrophobicContact CD-CD2 3.8Å; K617-Y674 HydrophobicContact CD-CE1 3.82Å; K617-Y674 HydrophobicContact CD-CE2 3.8Å; K617-Y674 HydrophobicContact CD-CG 3.84Å; K617-Y674 HydrophobicContact CG-CG 4.47Å; K617-Y674 PolarHBondContact NZ-OH 3.04Å; M644-Y674 HydrophobicContact SD-CD1 3.83Å; M644-Y674 HydrophobicContact SD-CE1 4.12Å; G672-Y674 PolarHBondContact O-N 3.03Å; Y674-T676 HydrophobicContact CE1-CG2 3.85Å; Y674-T676 HydrophobicContact CE2-CG2 4.18Å; Y674-T676 WeakPolarHBondContact OH-CG2 3.41Å; Y674-I679 HydrophobicContact CD1-CG2 4.33Å; Y674-I679 HydrophobicContact CE1-CD1 3.95Å; Y674-S681 PolarHBondContact O-OG 3.29Å
675S97.6Very high95.8Very high0 Ų045.6 Ų45.60%023%0.225CC..  trans-157.5149.7172.7-152.60000110.5L569 P572 I679 S681L569-S675 VanDerWaalsContact O-CB 3.23Å; L569-S675 WeakPolarHBondContact O-CB 3.48Å; L569-S675 PolarHBondContact O-OG 3.27Å; P572-S675 WeakPolarHBondContact CB-O 3.42Å; P572-S675 WeakPolarHBondContact CD-O 3.01Å; S675-I679 CarbonylContact C-O 3.58Å; S675-I679 WeakPolarHBondContact CA-O 3.44Å; S675-I679 PolarHBondContact OG-O 3.27Å; S675-I679 VanDerWaalsContact OG-O 3.1Å; S675-S681 PolarHBondContact OG-N 3.35Å
676T94.6Very high95.8Very high32 Ų3249.9 Ų49.920%0.19624%0.244CC..  trans-146.7-177.2177.3710000110.3Y674 Y678 I679 H680Y674-T676 HydrophobicContact CE1-CG2 3.85Å; Y674-T676 HydrophobicContact CE2-CG2 4.18Å; Y674-T676 WeakPolarHBondContact OH-CG2 3.41Å; T676-Y678 PolarHBondContact O-N 2.94Å; T676-Y678 PolarHBondContact OG1-N 3.27Å; T676-Y678 VanDerWaalsContact OG1-N 3.16Å; T676-I679 PolarHBondContact N-O 3.14Å; T676-I679 VanDerWaalsContact O-O 3.14Å; T676-I679 PolarHBondContact OG1-N 3.14Å; T676-H680 PolarHBondContact O-ND1 3.21Å
677E90.1Very high95.9Very high135 Ų13548.9 Ų48.963%0.63124%0.236SC*.SBendtrans-64-17.7171.6-160.2-176.6162.600113.6H680E677-H680 PolarHBondContact O-CE1 3.11Å
678Y91.3Very high96Very high192 Ų19252 Ų5275%0.75325%0.25SS*.SBendtrans-116.7-14.9-177.9-53.1-67.1000113.9T676T676-Y678 PolarHBondContact O-N 2.94Å; T676-Y678 PolarHBondContact OG1-N 3.27Å; T676-Y678 VanDerWaalsContact OG1-N 3.16Å
679I95.4Very high96Very high46 Ų4649.8 Ų49.824%0.23624%0.243CC..SBendtrans-126.9106.6-178.3-64166.1000106.6H615 M644 Y674 S675 T676H615-I679 HydrophobicContact CB-CG2 3.94Å; H615-I679 WeakPolarHBondContact CD2-CG2 3.43Å; M644-I679 HydrophobicContact CE-CD1 3.92Å; M644-I679 HydrophobicContact CE-CG2 4.21Å; M644-I679 HydrophobicContact SD-CD1 4Å; M644-I679 HydrophobicContact SD-CG2 4.2Å; Y674-I679 HydrophobicContact CD1-CG2 4.33Å; Y674-I679 HydrophobicContact CE1-CD1 3.95Å; S675-I679 CarbonylContact C-O 3.58Å; S675-I679 WeakPolarHBondContact CA-O 3.44Å; S675-I679 PolarHBondContact OG-O 3.27Å; S675-I679 VanDerWaalsContact OG-O 3.1Å; T676-I679 PolarHBondContact N-O 3.14Å; T676-I679 VanDerWaalsContact O-O 3.14Å; T676-I679 PolarHBondContact OG1-N 3.14Å
680H96.4Very high96Very high76 Ų7645.2 Ų45.235%0.35223%0.228SC..  trans-102.9112.6-168.1-57.8-47000111.7I568 H615 T676 E677I568-H680 HydrophobicContact CG2-CB 4.23Å; H615-H680 PolarHBondContact CD2-O 3.3Å; T676-H680 PolarHBondContact O-ND1 3.21Å; E677-H680 PolarHBondContact O-CE1 3.11Å
681S98.4Very high95.6Very high0 Ų051 Ų510%026%0.263CS..  trans-79.6129.7155.9-69.10000109.1I568 L569 H613 M614 H615 L673 Y674 S675I568-S681 WeakPolarHBondContact CA-O 3.03Å; L569-S681 PolarHBondContact N-O 3.49Å; H613-S681 CarbonylContact O-C 3.57Å; H613-S681 WeakPolarHBondContact O-CA 3.3Å; M614-S681 WeakPolarHBondContact CA-OG 3.39Å; H615-S681 PolarHBondContact N-OG 2.77Å; L673-S681 WeakPolarHBondContact CD1-OG 3.38Å; Y674-S681 PolarHBondContact O-OG 3.29Å; S675-S681 PolarHBondContact OG-N 3.35Å
682S98.5Very high95.6Very high18 Ų1851.2 Ų51.213%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-133.2154.1-170.167.30000113A567 Y612 H613 M614A567-S682 CarbonylContact O-C 2.95Å; A567-S682 VanDerWaalsContact O-CA 3.28Å; A567-S682 WeakPolarHBondContact O-CA 3.32Å; Y612-S682 CarbonylContact C-O 3.41Å; Y612-S682 VanDerWaalsContact CA-O 3.27Å; Y612-S682 WeakPolarHBondContact CA-O 3.5Å; H613-S682 PolarHBondContact N-O 3.17Å; H613-S682 PolarHBondContact O-N 3.46Å; M614-S682 WeakPolarHBondContact CE-O 3.43Å
683F98.7Very high95.5Very high0 Ų053.8 Ų53.80%028%0.277CS..EExtended strand (participates in β ladder)trans-136.5129.8173.1178-141.8000109.5F565 T566 A567 F582 Y593 F610 A611 L625 V661 V663F565-F683 AromaticContact CE2-CD1 3.64Å; F565-F683 HydrophobicContact CE2-CD1 3.64Å; F565-F683 AromaticContact CE2-CE1 3.9Å; F565-F683 HydrophobicContact CE2-CE1 3.9Å; F565-F683 HydrophobicContact CE2-CG 4.03Å; F565-F683 HydrophobicContact CE2-CZ 4.49Å; F565-F683 WeakPolarHBondContact CE2-O 3.33Å; F565-F683 AromaticContact CZ-CD1 3.73Å; F565-F683 HydrophobicContact CZ-CD1 3.73Å; F565-F683 HydrophobicContact CZ-CD2 4.37Å; F565-F683 AromaticContact CZ-CE1 3.5Å; F565-F683 HydrophobicContact CZ-CE1 3.5Å; F565-F683 HydrophobicContact CZ-CE2 4.18Å; F565-F683 HydrophobicContact CZ-CG 4.17Å; F565-F683 AromaticContact CZ-CZ 3.75Å; F565-F683 HydrophobicContact CZ-CZ 3.75Å; T566-F683 WeakPolarHBondContact CA-O 3.37Å; A567-F683 PolarHBondContact N-O 3.29Å; A567-F683 PolarHBondContact O-N 3.28Å; F582-F683 HydrophobicContact CD1-CB 4.07Å; F582-F683 HydrophobicContact CD2-CB 3.67Å; F582-F683 HydrophobicContact CD2-CD1 4.03Å; F582-F683 HydrophobicContact CD2-CG 4.32Å; F582-F683 HydrophobicContact CE1-CB 3.93Å; F582-F683 HydrophobicContact CE2-CB 3.5Å; F582-F683 AromaticContact CE2-CD1 3.99Å; F582-F683 HydrophobicContact CE2-CD1 3.99Å; F582-F683 HydrophobicContact CE2-CG 4.06Å; F582-F683 HydrophobicContact CG-CB 3.98Å; F582-F683 HydrophobicContact CZ-CB 3.66Å; Y593-F683 HydrophobicContact CE2-CD1 4.16Å; Y593-F683 HydrophobicContact CE2-CE1 4.4Å; F610-F683 HydrophobicContact CB-CE2 4.22Å; F610-F683 AromaticContact CD1-CE2 3.84Å; F610-F683 HydrophobicContact CD1-CE2 3.84Å; F610-F683 AromaticContact CD1-CZ 3.79Å; F610-F683 HydrophobicContact CD1-CZ 3.79Å; F610-F683 HydrophobicContact CE1-CZ 4.36Å; F610-F683 HydrophobicContact CG-CE2 4.46Å; A611-F683 WeakPolarHBondContact O-CD2 3.35Å; L625-F683 HydrophobicContact CD1-CE2 3.72Å; L625-F683 HydrophobicContact CD1-CZ 3.79Å; V661-F683 HydrophobicContact CG1-CZ 4.31Å; V663-F683 HydrophobicContact CG2-CD1 4.07Å; V663-F683 HydrophobicContact CG2-CD2 3.7Å; V663-F683 HydrophobicContact CG2-CE1 4.09Å; V663-F683 HydrophobicContact CG2-CE2 3.71Å; V663-F683 HydrophobicContact CG2-CG 3.88Å; V663-F683 HydrophobicContact CG2-CZ 3.91Å
684S98.6Very high95.4Very high24 Ų2456.8 Ų56.817%0.16829%0.292CS..EExtended strand (participates in β ladder)trans-133.5148.5-175.5-62.20000110.3F565 T566 F610 A611F565-S684 WeakPolarHBondContact O-CA 3.23Å; T566-S684 WeakPolarHBondContact CB-OG 3.36Å; T566-S684 VanDerWaalsContact CG2-OG 3.28Å; T566-S684 WeakPolarHBondContact CG2-OG 3.33Å; T566-S684 WeakPolarHBondContact OG1-CB 3.15Å; T566-S684 PolarHBondContact OG1-OG 3.49Å; F610-S684 WeakPolarHBondContact CA-O 3.48Å; A611-S684 PolarHBondContact N-O 3.15Å; A611-S684 PolarHBondContact O-N 3.08Å; A611-S684 VanDerWaalsContact O-O 3.11Å
685G98.1Very high95.2Very high0 Ų058 Ų580%030%0.301CS..EExtended strand (participates in β ladder)trans-155.5146.517200000111.6A564 F565 Y609A564-G685 CarbonylContact C-O 3.59Å; A564-G685 VanDerWaalsContact CA-O 3.24Å; A564-G685 WeakPolarHBondContact CA-O 3.37Å; F565-G685 WeakPolarHBondContact CD1-O 3.22Å; F565-G685 PolarHBondContact N-O 3.46Å; F565-G685 PolarHBondContact O-N 3.43Å; F565-G685 VanDerWaalsContact O-N 3.07Å; Y609-G685 CarbonylContact O-C 3.53Å; Y609-G685 WeakPolarHBondContact O-CA 3.35Å
686F97.3Very high95.1Very high89 Ų8961.6 Ų61.639%0.3932%0.32SS..EExtended strand (participates in β ladder)trans-152152.1176.662-88.8000112.4P563 A564 Y608 Y609 L688P563-F686 WeakPolarHBondContact O-CA 3.23Å; A564-F686 HydrophobicContact CB-CB 3.51Å; Y608-F686 CarbonylContact C-O 3.48Å; Y608-F686 WeakPolarHBondContact CA-O 3.25Å; Y609-F686 HydrophobicContact CD1-CD1 4.21Å; Y609-F686 AromaticContact CD1-CE1 3.4Å; Y609-F686 HydrophobicContact CD1-CE1 3.4Å; Y609-F686 AromaticContact CD1-CZ 3.74Å; Y609-F686 HydrophobicContact CD1-CZ 3.74Å; Y609-F686 HydrophobicContact CE1-CE1 4.2Å; Y609-F686 HydrophobicContact CG-CE1 4.16Å; Y609-F686 HydrophobicContact CG-CZ 4.14Å; Y609-F686 PolarHBondContact N-O 3.05Å; Y609-F686 PolarHBondContact O-N 3.32Å; F686-L688 HydrophobicContact CD2-CD2 4.27Å; F686-L688 HydrophobicContact CE2-CD2 3.49Å; F686-L688 VanDerWaalsContact CE2-CD2 3.49Å; F686-L688 HydrophobicContact CE2-CG 4.23Å; F686-L688 HydrophobicContact CZ-CD2 4.19Å; F686-L688 PolarHBondContact O-N 3.46Å
687L96.4Very high95.1Very high16 Ų1663.6 Ų63.68%0.08433%0.328CS..EExtended strand (participates in β ladder)trans-69.4124.1173.4-179.767.9000110.3L557 P563 L604 Y608 P690L557-L687 HydrophobicContact CD1-CD2 4.26Å; P563-L687 PolarHBondContact O-N 3.36Å; L604-L687 HydrophobicContact CD1-CD2 4.5Å; Y608-L687 HydrophobicContact CD1-CB 4.09Å; Y608-L687 HydrophobicContact CD1-CD1 4.42Å; Y608-L687 HydrophobicContact CD2-CD1 4Å; Y608-L687 HydrophobicContact CE1-CB 3.67Å; Y608-L687 HydrophobicContact CE1-CD1 4.02Å; Y608-L687 HydrophobicContact CE1-CG 4.43Å; Y608-L687 HydrophobicContact CE2-CD1 3.58Å; Y608-L687 HydrophobicContact CG-CD1 4.41Å; L687-P690 HydrophobicContact CD2-CB 4.25Å
688L94.7Very high95.4Very high90 Ų9058.5 Ų58.547%0.47131%0.307SS..EExtended strand (participates in β ladder)trans-86.4-48171.4-71.7171.4000111.6V607 V652 F686V607-L688 HydrophobicContact CG1-CD1 4.19Å; V607-L688 WeakPolarHBondContact O-CA 3.47Å; V607-L688 WeakPolarHBondContact O-CB 3.43Å; V607-L688 PolarHBondContact O-N 3.47Å; V652-L688 HydrophobicContact CG1-CD1 4.19Å; V652-L688 HydrophobicContact CG2-CD1 4.23Å; F686-L688 HydrophobicContact CD2-CD2 4.27Å; F686-L688 HydrophobicContact CE2-CD2 3.49Å; F686-L688 VanDerWaalsContact CE2-CD2 3.49Å; F686-L688 HydrophobicContact CE2-CG 4.23Å; F686-L688 HydrophobicContact CZ-CD2 4.19Å; F686-L688 PolarHBondContact O-N 3.46Å
689C93.3Very high95.8Very high68 Ų6848.2 Ų48.246%0.45927%0.272SS..EExtended strand (participates in β ladder)trans-150119.7-174.6-173.50000109.9G606 V607G606-C689 CarbonylContact C-O 3.48Å; G606-C689 WeakPolarHBondContact CA-O 3.4Å; V607-C689 HydrophobicContact CB-CB 4.5Å; V607-C689 PolarHBondContact N-O 3.19Å; V607-C689 PolarHBondContact O-N 3.37Å
690P91.9Very high95.8Very high71 Ų7148.4 Ų48.446%0.46128%0.275SS..EExtended strand (participates in β ladder)trans-66.8147.7171.530.9-36.2000110.5L557 L687L557-P690 HydrophobicContact CD1-CB 4.13Å; L557-P690 HydrophobicContact CD1-CG 3.72Å; L687-P690 HydrophobicContact CD2-CB 4.25Å
691T87.1Confident95.7Very high129 Ų12945.9 Ų45.979%0.79127%0.268SS*.  trans-129.70-179.356.90000112.6S605 G606 V607S605-T691 PolarHBondContact O-N 3.44Å; S605-T691 VanDerWaalsContact O-N 3.08Å; G606-T691 VanDerWaalsContact CA-OG1 3.28Å; G606-T691 WeakPolarHBondContact CA-OG1 3.41Å; G606-T691 PolarHBondContact N-OG1 3.48Å; V607-T691 HydrophobicContact CG2-CG2 4.4Å

Retrieved 691 of 691 residues in 746.6 ms (Link to these results)