A0A087WP46_MOUSE Loading...

cDNA sequence BC034090

AlphaFold DB , UniProt , Accession A0A087WP46, Species MOUSE (Mus musculus, Mouse), Gene BC034090, Length 1,202 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M43.7Very low44.5Very low229 Ų229136.1 Ų136.1100%1.12881%0.809SS**  093.10-68.2154.2-175.300105.7
2E40.3Very low43.7Very low186 Ų186145.8 Ų145.887%0.86982%0.821SS**  93.612153.6179176.5-146.200110.2
3G41.5Very low43.1Very low59 Ų59152 Ų15261%0.60882%0.824SS**  cis167.4163.4-9.200000112.8
4M51.9Low42.3Very low167 Ų167146.4 Ų146.482%0.82380%0.802SS**  trans66.5154.6157.5-69.7134.9111.400117
5E51.3Low41.6Very low166 Ų166149.5 Ų149.578%0.77681%0.808SS**  cis-148.7-167.9-4.6-134172.49700114.7
6A46.7Very low41.2Very low89 Ų89145.4 Ų145.474%0.73680%0.801SS**  trans-71-170-175.500000113.9
7A45.3Very low40.9Very low95 Ų95143.6 Ų143.679%0.78580%0.801SS**  cis-157.9-177.61300000109.8
8A44.1Very low40.9Very low96 Ų96148.6 Ų148.679%0.79381%0.806SS**  cis-153.81711.200000111.4
9K42.4Very low40.9Very low203 Ų203147.5 Ų147.588%0.88381%0.807SS**  trans-88.7-168.9165.4-63.6177-179.3175.20109.4
10P44.4Very low40.5Very low120 Ų120142.6 Ų142.678%0.77979%0.792SS**  cis-123.8-179.7-6.724.12000112.4
11A37.5Very low40.1Very low87 Ų87141 Ų14172%0.71979%0.791SS**  cis87.2126.126.100000117.1
12R35.5Very low39.6Very low252 Ų252136 Ų13695%0.95177%0.773SS**  trans71.7157.5-176.6-55.5-175.3174.5-157-4.5113.2
13R35.2Very low39.4Very low227 Ų227133.1 Ų133.186%0.85777%0.769SS**  cis-161.7153.532.7-158.1-166.3-170.8-177.22.4112.8
14S33Very low39.2Very low74 Ų74134.9 Ų134.952%0.51777%0.772SS.*  trans49.4127.1145.755.70000123.5
15Q31.6Very low38.9Very low193 Ų193132.1 Ų132.190%0.90277%0.766SS**  trans63151.2132.1-59.8166.9-57.900118.2
16A35.7Very low38.1Very low84 Ų84128.9 Ų128.969%0.69476%0.758SS**  cis-155.1171.715.500000113.5
17S35.2Very low37.5Very low115 Ų115132.8 Ų132.880%0.80476%0.761SS**  trans49132.8143580000123.4
18R40.4Very low37.4Very low232 Ų232133.8 Ų133.888%0.87576%0.757SS**  trans-57.7158.6162.9-49.4161.182.4-175.19.3111.4
19P42.1Very low37.2Very low128 Ų128134.7 Ų134.783%0.83175%0.753SS**  -123.8174.381.538.6-33.9000112.6
20G32.6Very low37.7Very low50 Ų50130.3 Ų130.352%0.51575%0.745SS.*  cis119.5132.6-1.300000113.1
21S32.8Very low37.5Very low110 Ų110128.6 Ų128.677%0.76974%0.741SS**  trans75.5132.6177.893.80000114.4
22T31.6Very low37.9Very low122 Ų122133.3 Ų133.375%0.74875%0.751SS**  88.7129.570.4-59.40000109.7
23T36.4Very low38.4Very low126 Ų126124.6 Ų124.677%0.77373%0.733SS**  cis-150.316826.4-26.20000112.6
24S36.7Very low38.8Very low97 Ų97123.9 Ų123.968%0.67873%0.73SS**  trans-78.6-163.1154.861.80000110.7
25P45.9Very low39.3Very low109 Ų109126.4 Ų126.471%0.70874%0.738SS**  cis-133.1-159.5-1330.6-7.2000113
26T36.3Very low39.6Very low98 Ų98120.4 Ų120.460%0.60173%0.727SS**  trans125.299.2132.3-49.20000118.6
27Q33.7Very low39.5Very low171 Ų171121.2 Ų121.280%0.79973%0.734SS**  trans59171.8143.6-49.9171.220.400117.8
28V43Very low39.7Very low115 Ų115125.1 Ų125.170%0.69774%0.74SS**  cis-135128.25-172.60000106.3
29T39.8Very low39.5Very low115 Ų115122.6 Ų122.671%0.70674%0.738SS**  55146.284.7-13.80000113.1
30P51.7Low39.3Very low111 Ų111121 Ų12172%0.72173%0.728SS**  cis-145.3177.522.145.4-26.6000119.4
31A40.8Very low39.3Very low85 Ų85125.9 Ų125.970%0.70274%0.742SS**  trans68.8146.6144.500000119.7
32M46.4Very low39.2Very low185 Ų185126 Ų12691%0.91174%0.742SS**  cis-169.7162.5-8.8-106-169.3178.100107.1
33A45.2Very low39.4Very low70 Ų70123.7 Ų123.758%0.57974%0.743SS**  cis-175.2156.2-17.600000110.8
34R44.8Very low39.2Very low212 Ų212123.7 Ų123.780%0.875%0.745SS**  trans65.4150.8146.8-73.7-179.2166.6-92.91.1119.7
35D43.3Very low39.3Very low127 Ų127126.8 Ų126.868%0.67975%0.753SS**  cis-137.3150.5-14.2-89.4-48.5000105.6
36G37.1Very low39.3Very low66 Ų66127.4 Ų127.468%0.6876%0.757SS**  121.4115.868.200000107
37A33.9Very low39.2Very low101 Ų101134.2 Ų134.284%0.83577%0.772SS**  52.3131.8101.800000113.8
38E38.3Very low39.1Very low198 Ų198131.5 Ų131.593%0.92577%0.769SS**  cis-130.7-16245.6-65.8-176.391.800115.5
39Q36.2Very low38.6Very low179 Ų179131 Ų13184%0.83677%0.771SS**  trans-120.2-143.4-153.8-161.6-145.2-16.200113.8
40P38.9Very low38.5Very low95 Ų95131.6 Ų131.662%0.61778%0.777SS**  -96159.8-12139.1-28.7000115.6
41D32.3Very low37.4Very low151 Ų151132 Ų13281%0.80778%0.78SS**  -158.9157127.7-139.5-26.6000114.5
42S31.2Very low37.4Very low112 Ų112133.6 Ų133.678%0.78378%0.784SS**  trans5.7125.6153.7-61.60000121
43G35.3Very low36.9Very low74 Ų74133.9 Ų133.976%0.76378%0.783SS**  trans161.494.715500000117.3
44P33.5Very low36.2Very low127 Ų127139.1 Ų139.183%0.82580%0.796SS**  trans-98.993.4177.735.5-30.3000113.2
45L37.1Very low35.8Very low162 Ų162135 Ų13585%0.84879%0.789SS**  trans-145.3137.8163.8-77.2-179.1000111.9
46P45.6Very low35.4Very low121 Ų121138.9 Ų138.979%0.78680%0.795SS**PPolyproline II helixtrans-69.1131.9170.229.6-33.2000110.4
47R34.7Very low35Very low241 Ų241139.8 Ų139.891%0.90980%0.796SS**PPolyproline II helixtrans-66125.8-178.9-174.7177.1-68.8179.7-1.5110.2
48P32.1Very low34.9Very low114 Ų114140.5 Ų140.574%0.7479%0.794SS**PPolyproline II helixtrans-72.2142.5-174.128.6-35.2000112.4
49S32.5Very low34.6Very low105 Ų105139.1 Ų139.173%0.73479%0.793SS**PPolyproline II helixtrans-73142.3166.6470000110.7C51S49-C51 PolarHBondContact O-N 3.14Å
50P38.2Very low34.4Very low128 Ų128138.3 Ų138.383%0.83179%0.794SS**PPolyproline II helixtrans-74.4128.6-176.229-34.3000112.4
51C28.8Very low34.3Very low118 Ų118142.1 Ų142.180%0.79781%0.806SS**  trans-151.1156165.5-78.70000107.8S49S49-C51 PolarHBondContact O-N 3.14Å
52P40.5Very low34.8Very low120 Ų120140 Ų14078%0.77980%0.8SS**  cis-120.3-178.5-32.738.7-25.7000110.7
53Q34.5Very low35.2Very low190 Ų190140.5 Ų140.589%0.88880%0.8SS**  trans-138.3123.4159-175.4169.6-18.700109.8
54E31Very low35.2Very low181 Ų181146.6 Ų146.685%0.84681%0.806SS**  trans-89129176.7-62.8170.594.900110.2
55D36.9Very low35.4Very low124 Ų124145.9 Ų145.966%0.66380%0.802SS**  trans-155.2145144.7-152.5-7.8000111.7
56R33.9Very low35.7Very low210 Ų210144.5 Ų144.579%0.79280%0.802SS**  trans36.2110.8160.7-83.1158169.9137.5-6.9122.5
57A30.7Very low35.1Very low85 Ų85149.5 Ų149.570%0.70281%0.805SS**  70.1111.7114.400000121.3
58S30Very low35.4Very low115 Ų115144.6 Ų144.680%0.80480%0.802SS**  trans4895.5133.3-55.80000119.5
59N32.8Very low35.4Very low169 Ų169150.6 Ų150.690%0.90481%0.81SS**  trans-152.2146.1145.4-104.2-60.7000112.8
60L31.9Very low35.6Very low162 Ų162149.3 Ų149.385%0.84881%0.814SS**  trans-84.9131.8-178.6-72.5155.7000111.1
61M36Very low35.5Very low176 Ų176151.9 Ų151.987%0.86782%0.819SS**  trans-138.3123.2167.1-84.5-68135.500111.4
62P43.5Very low36Very low105 Ų105155.3 Ų155.368%0.68282%0.824SS**PPolyproline II helixtrans-82.4156.4174.534-34.4000111.9
63P40.3Very low36Very low123 Ų123158 Ų15880%0.79983%0.831SS**PPolyproline II helixtrans-65.7138.5174.727.6-34.2000111.7
64K35.6Very low36.3Very low202 Ų202158.3 Ų158.388%0.87883%0.832SS**PPolyproline II helixtrans-71.9129177.6-67.6173.2-179.5169.50110.7
65P36.5Very low37.4Very low113 Ų113152.2 Ų152.273%0.73482%0.818SS**PPolyproline II helixtrans-75.6145.7166.731.6-33.7000110.8
66P44.5Very low38.2Very low132 Ų132150.9 Ų150.986%0.85782%0.816SS**PPolyproline II helixtrans-69.6139.2173.829-33.8000111.2
67R32.9Very low39.9Very low226 Ų226143.3 Ų143.385%0.85380%0.795SS**PPolyproline II helixtrans-88.1132.1171.5-66.4-178.5177.6-170.8-0.2110.4
68T40.7Very low41.9Very low139 Ų139144.2 Ų144.285%0.85379%0.792SS**  -171.1164.4127.815.50000110.7
69W32.6Very low44.2Very low239 Ų239144.8 Ų144.891%0.90579%0.785SS**  trans-96.6145.2-166.3-68.8-79000114.4
70G36.1Very low46.2Very low78 Ų78142.2 Ų142.280%0.80477%0.768SS**  trans-139.7116.4160.900000110.1Q72G70-Q72 PolarHBondContact O-N 3.31Å
71L34.8Very low48.4Very low182 Ų182137.5 Ų137.595%0.95375%0.748SS**  trans-80.9115.9-177.4-72163.5000110.7
72Q39.6Very low50.8Low191 Ų191135.9 Ų135.989%0.89374%0.736SS**  trans-114.4114.3166.4-168.3169.27600109.7G70 Q74G70-Q72 PolarHBondContact O-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.39Å
73L41.4Very low53Low175 Ų175134.9 Ų134.992%0.91673%0.728SS**  trans-68.6119.5-179.4-75.8158.4000110.2G75L73-G75 PolarHBondContact O-N 3.41Å
74Q41.1Very low55.1Low198 Ų198136.1 Ų136.193%0.92572%0.721SS**  trans-74.2110.1178.7-170.5169.566.700109.9Q72Q72-Q74 PolarHBondContact O-N 3.39Å
75G53Low57.2Low53 Ų53129 Ų12955%0.54670%0.7SS.*PPolyproline II helixtrans-66.9154.3176.900000112.6L73L73-G75 PolarHBondContact O-N 3.41Å
76P55.2Low59.3Low96 Ų96129 Ų12962%0.62369%0.693SS**PPolyproline II helixtrans-61.7139.3-179.127.7-35.3000110.4
77S67.7Low61.2Low51 Ų51129.9 Ų129.936%0.35768%0.683SS.*PPolyproline II helixtrans-64.5155.6-173.766.70000112.2L79 E80 S81S77-L79 PolarHBondContact O-N 2.69Å; S77-L79 VanDerWaalsContact O-N 3.14Å; S77-E80 PolarHBondContact N-OE2 3.29Å; S77-E80 PolarHBondContact O-N 2.93Å; S77-E80 VanDerWaalsContact O-N 3.12Å; S77-E80 WeakPolarHBondContact OG-CG 3.24Å; S77-E80 PolarHBondContact OG-N 3.4Å; S77-E80 VanDerWaalsContact OG-N 3.1Å; S77-E80 PolarHBondContact OG-OE2 3.17Å; S77-E80 VanDerWaalsContact OG-OE2 3.06Å; S77-S81 PolarHBondContact O-N 3.1Å; S77-S81 PolarHBondContact O-OG 2.65Å
78V73.9Confident63.4Low104 Ų104125 Ų12563%0.6367%0.671SS**Hα-helixtrans-58-27.3172.7178.50000111.1K82V78-K82 HydrophobicContact CG1-CD 4.12Å; V78-K82 WeakPolarHBondContact O-CB 3.45Å; V78-K82 VanDerWaalsContact O-CG 3.25Å; V78-K82 WeakPolarHBondContact O-CG 3.09Å; V78-K82 PolarHBondContact O-N 3.04Å; V78-K82 VanDerWaalsContact O-N 3.13Å
79L77.4Confident65.1Low127 Ų127126.9 Ų126.967%0.66567%0.667SS**Hα-helixtrans-71.2-48.7174.6-172.164000111.7S77 S81 K82 V83S77-L79 PolarHBondContact O-N 2.69Å; S77-L79 VanDerWaalsContact O-N 3.14Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 3.41Å; L79-K82 PolarHBondContact O-N 3.31Å; L79-V83 WeakPolarHBondContact O-CB 3.38Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.42Å; L79-V83 PolarHBondContact O-N 2.98Å
80E75.9Confident66.8Low115 Ų115122.7 Ų122.754%0.53766%0.659SS.*Hα-helixtrans-59.8-42.9175.1-75.1171106.600112.2S77 K82 V83 K84S77-E80 PolarHBondContact N-OE2 3.29Å; S77-E80 PolarHBondContact O-N 2.93Å; S77-E80 VanDerWaalsContact O-N 3.12Å; S77-E80 WeakPolarHBondContact OG-CG 3.24Å; S77-E80 PolarHBondContact OG-N 3.4Å; S77-E80 VanDerWaalsContact OG-N 3.1Å; S77-E80 PolarHBondContact OG-OE2 3.17Å; S77-E80 VanDerWaalsContact OG-OE2 3.06Å; E80-K82 VanDerWaalsContact C-N 3.32Å; E80-K82 PolarHBondContact O-N 3.11Å; E80-V83 PolarHBondContact O-N 3.34Å; E80-K84 VanDerWaalsContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 3.25Å
81S77.1Confident68Low63 Ų63123.7 Ų123.744%0.44165%0.649SS.*Hα-helixtrans-61.7-40.5177.5-62.40000111.8S77 L79 A85S77-S81 PolarHBondContact O-N 3.1Å; S77-S81 PolarHBondContact O-OG 2.65Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 3.41Å; S81-A85 WeakPolarHBondContact O-CB 3.43Å; S81-A85 PolarHBondContact O-N 3.41Å
82K86.5Confident69.1Low141 Ų141119.1 Ų119.161%0.61364%0.638SS**Hα-helixtrans-70.2-39.5174.6-75.2173.2-179.4176.10112.7V78 L79 E80 L86V78-K82 HydrophobicContact CG1-CD 4.12Å; V78-K82 WeakPolarHBondContact O-CB 3.45Å; V78-K82 VanDerWaalsContact O-CG 3.25Å; V78-K82 WeakPolarHBondContact O-CG 3.09Å; V78-K82 PolarHBondContact O-N 3.04Å; V78-K82 VanDerWaalsContact O-N 3.13Å; L79-K82 PolarHBondContact O-N 3.31Å; E80-K82 VanDerWaalsContact C-N 3.32Å; E80-K82 PolarHBondContact O-N 3.11Å; K82-L86 VanDerWaalsContact O-CB 3.29Å; K82-L86 WeakPolarHBondContact O-CB 3.27Å; K82-L86 PolarHBondContact O-N 3.15Å
83V89.4Confident69.3Low84 Ų84113.2 Ų113.251%0.50963%0.628SS.*Hα-helixtrans-66.2-39.9175.7168.90000111L79 E80 L86 K87L79-V83 WeakPolarHBondContact O-CB 3.38Å; L79-V83 VanDerWaalsContact O-CG2 3.31Å; L79-V83 WeakPolarHBondContact O-CG2 3.42Å; L79-V83 PolarHBondContact O-N 2.98Å; E80-V83 PolarHBondContact O-N 3.34Å; V83-L86 PolarHBondContact O-N 3.21Å; V83-K87 VanDerWaalsContact O-CB 3.25Å; V83-K87 WeakPolarHBondContact O-CB 3.1Å; V83-K87 PolarHBondContact O-N 2.96Å
84K84.7Confident69.5Low149 Ų149113.8 Ų113.865%0.64862%0.624SS**Hα-helixtrans-61.7-53.1173.7-173.5-179.6176.5-173.80110.8E80 L86 K87 E88E80-K84 VanDerWaalsContact O-CB 3.31Å; E80-K84 WeakPolarHBondContact O-CB 3.39Å; E80-K84 PolarHBondContact O-N 3.25Å; K84-L86 VanDerWaalsContact C-N 3.29Å; K84-L86 PolarHBondContact O-N 3.43Å; K84-K87 PolarHBondContact O-N 3.04Å; K84-K87 VanDerWaalsContact O-N 3.17Å; K84-E88 VanDerWaalsContact O-CB 3.28Å; K84-E88 WeakPolarHBondContact O-CB 3.21Å; K84-E88 PolarHBondContact O-N 3.39Å
85A79.7Confident69.4Low52 Ų52114 Ų11443%0.4362%0.624SS.*Hα-helixtrans-61.4-34178.600000113.3S81 K89S81-A85 WeakPolarHBondContact O-CB 3.43Å; S81-A85 PolarHBondContact O-N 3.41Å; A85-K89 PolarHBondContact O-N 3.13Å
86L81.3Confident68.7Low114 Ų114115.2 Ų115.260%0.59764%0.637SS**Hα-helixtrans-71.6-42.9174.2-175.562.4000111.9K82 V83 K84 E88 K89 M90K82-L86 VanDerWaalsContact O-CB 3.29Å; K82-L86 WeakPolarHBondContact O-CB 3.27Å; K82-L86 PolarHBondContact O-N 3.15Å; V83-L86 PolarHBondContact O-N 3.21Å; K84-L86 VanDerWaalsContact C-N 3.29Å; K84-L86 PolarHBondContact O-N 3.43Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.45Å; L86-K89 PolarHBondContact O-N 3.38Å; L86-M90 WeakPolarHBondContact O-CB 3.28Å; L86-M90 WeakPolarHBondContact O-CG 3.48Å; L86-M90 PolarHBondContact O-N 3.45Å
87K84.4Confident67.9Low150 Ų150117.3 Ų117.365%0.65265%0.648SS**Hα-helixtrans-62.7-38.9174.9-175.8177.6179.7-179.80111.4V83 K84 M90 T91V83-K87 VanDerWaalsContact O-CB 3.25Å; V83-K87 WeakPolarHBondContact O-CB 3.1Å; V83-K87 PolarHBondContact O-N 2.96Å; K84-K87 PolarHBondContact O-N 3.04Å; K84-K87 VanDerWaalsContact O-N 3.17Å; K87-M90 PolarHBondContact O-N 3.09Å; K87-T91 WeakPolarHBondContact O-CB 3.32Å; K87-T91 PolarHBondContact O-N 3.21Å; K87-T91 PolarHBondContact O-OG1 3.02Å
88E78.3Confident66.2Low125 Ų125121.7 Ų121.758%0.58467%0.668SS**Hα-helixtrans-63.7-51.1175.8-169169.2169.900110.9K84 L86 M90 T91 A92K84-E88 VanDerWaalsContact O-CB 3.28Å; K84-E88 WeakPolarHBondContact O-CB 3.21Å; K84-E88 PolarHBondContact O-N 3.39Å; L86-E88 VanDerWaalsContact C-N 3.31Å; L86-E88 PolarHBondContact O-N 3.45Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.48Å; E88-T91 PolarHBondContact O-N 3.18Å; E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 2.94Å
89K77.2Confident64.6Low177 Ų177122.7 Ų122.777%0.7768%0.677SS**Hα-helixtrans-59.8-33.5172.8-79.5-169.5172-1740114.3A85 L86 T91A85-K89 PolarHBondContact O-N 3.13Å; L86-K89 PolarHBondContact O-N 3.38Å; K89-T91 VanDerWaalsContact C-N 3.34Å
90M68.1Low62.6Low152 Ų152125.4 Ų125.475%0.74968%0.678SS**Hα-helixtrans-73.4-25.5175.4-72.5-84.1-77.400112.9L86 K87 E88L86-M90 WeakPolarHBondContact O-CB 3.28Å; L86-M90 WeakPolarHBondContact O-CG 3.48Å; L86-M90 PolarHBondContact O-N 3.45Å; K87-M90 PolarHBondContact O-N 3.09Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 PolarHBondContact O-N 3.48Å
91T62.3Low60.9Low98 Ų98125.2 Ų125.260%0.60169%0.686SS**Hα-helixtrans-92.5-31.6-176.4-48.80000111.9K87 E88 K89 G93K87-T91 WeakPolarHBondContact O-CB 3.32Å; K87-T91 PolarHBondContact O-N 3.21Å; K87-T91 PolarHBondContact O-OG1 3.02Å; E88-T91 PolarHBondContact O-N 3.18Å; K89-T91 VanDerWaalsContact C-N 3.34Å; T91-G93 PolarHBondContact O-N 2.98Å; T91-G93 VanDerWaalsContact O-N 3.07Å
92A56.2Low58.8Low87 Ų87127.4 Ų127.472%0.71970%0.697SS**THydrogen-bonded Turntrans-63.9-9.4176.800000114.7E88E88-A92 WeakPolarHBondContact O-CB 3.33Å; E88-A92 PolarHBondContact O-N 2.94Å
93G44.3Very low56.5Low66 Ų66126.3 Ų126.368%0.6871%0.707SS**THydrogen-bonded Turntrans-87.69.2-177.700000116.4T91T91-G93 PolarHBondContact O-N 2.98Å; T91-G93 VanDerWaalsContact O-N 3.07Å
94K45.8Very low53.8Low188 Ų188131.5 Ų131.582%0.81772%0.719SS**SBendtrans-145.960.7-172.7-70.8-163.5173.7-169.70116
95Q39.8Very low51.5Low201 Ų201133.8 Ų133.894%0.93973%0.732SS**  trans-167.6145.7154.9-110.2164.121.300110.3
96G37.3Very low49.2Very low79 Ų79141.9 Ų141.981%0.81475%0.752SS**  trans127107.5178.400000113
97T38.7Very low47.2Very low140 Ų140142.2 Ų142.286%0.85976%0.761SS**  trans-95.9148.9-177.5-49.40000111.2
98D31.5Very low44.4Very low143 Ų143140.2 Ų140.277%0.76577%0.765SS**  trans-48.8148171.9-81.7-76.4000113.5
99P41.6Very low42.6Very low126 Ų126139.2 Ų139.282%0.81877%0.77SS**  -129.8139.699.736.4-29.7000115.8
100R34.8Very low40.3Very low184 Ų184136.8 Ų136.869%0.69477%0.77SS**  trans-67.3166.3167.4-123.8-173.8167.7-169.9-4.5111.2
101P40.8Very low38.7Very low110 Ų110139.3 Ų139.371%0.71478%0.777SS**  -146171.557.542-22.8000117.8
102T32Very low37.2Very low109 Ų109139.1 Ų139.167%0.66978%0.78SS**  trans22.2138.8152.851.90000121.2
103S38.7Very low36.2Very low118 Ų118144.5 Ų144.583%0.82579%0.787SS**  cis-142.5-179.339.958.40000114.8
104Y32.1Very low35.6Very low194 Ų194146.1 Ų146.176%0.76179%0.787SS**  trans-103.6139.5-176.5-68.2-107.9000111.6
105E36.1Very low35Very low196 Ų196145.7 Ų145.792%0.91679%0.787SS**  trans-141.9169.5132.5-164.7140.9-147.200110.3
106R32.9Very low34.7Very low223 Ų223144.4 Ų144.484%0.84278%0.781SS**  trans-117.8130.8-145.1-161.7-178.3-159162.94.9112.8
107P37.5Very low34.5Very low121 Ų121146 Ų14679%0.78678%0.775SS**  trans-81.5128.8179.931.8-34.3000112.4
108S26.6Very low34.3Very low107 Ų107148.2 Ų148.275%0.74877%0.772SS**  trans171.8171158.952.60000110
109P40.2Very low34.4Very low105 Ų105143.6 Ų143.668%0.68275%0.75SS**  cis-131176.9-4937.7-23.7000112.4
110T29.9Very low34Very low126 Ų126139 Ų13977%0.77373%0.725SS**  trans26.3110.615055.70000119.2
111K34.1Very low33.9Very low204 Ų204136.4 Ų136.489%0.88773%0.729SS**  trans-150.3139.8142.4-116.4161.3-171.2178.20113.7
112S31.2Very low33.3Very low95 Ų95134.1 Ų134.166%0.66472%0.72SS**  trans-15.1124.3164.249.70000117.3
113K33.6Very low33.3Very low200 Ų200140.6 Ų140.687%0.8773%0.732SS**  trans-110.178.4141.2-151.8161.6-167.8172.80108.9
114C32.6Very low33Very low100 Ų100140.7 Ų140.768%0.67673%0.733SS**  trans-59.8168.9165.2-63.50000109.9Q116C114-Q116 PolarHBondContact O-N 2.89Å; C114-Q116 VanDerWaalsContact O-N 3.17Å
115H33.7Very low33.2Very low178 Ų178138.7 Ų138.782%0.82473%0.734SS**  trans-46.4121.4176.8-68.4-105.8000111.7V117H115-V117 HydrophobicContact CB-CG2 4.38Å; H115-V117 PolarHBondContact O-N 3.1Å
116Q32.6Very low33.2Very low175 Ų175135.1 Ų135.182%0.81873%0.728SS**  trans-77.3100.6158.3-167.7165.38.900106.2C114C114-Q116 PolarHBondContact O-N 2.89Å; C114-Q116 VanDerWaalsContact O-N 3.17Å
117V32.8Very low33.1Very low113 Ų113131.6 Ų131.669%0.68573%0.726SS**  trans-66.7146.6-177.7-178.60000109.7H115H115-V117 HydrophobicContact CB-CG2 4.38Å; H115-V117 PolarHBondContact O-N 3.1Å
118K34.4Very low33.1Very low185 Ų185129.2 Ų129.280%0.80472%0.716SS**  trans-135.7108.2171.7176163.3-170.7-178.20107.7
119T34.9Very low33.5Very low47 Ų47131.9 Ų131.929%0.28872%0.721SS.*  cis71145.646.290.70000112.9W324 D325T119-W324 VanDerWaalsContact CG2-O 3.24Å; T119-W324 WeakPolarHBondContact CG2-O 3.28Å; T119-D325 WeakPolarHBondContact CB-OD2 3.12Å; T119-D325 HydrophobicContact CG2-CB 4.13Å; T119-D325 VanDerWaalsContact OG1-CG 3.24Å; T119-D325 PolarHBondContact OG1-OD2 2.85Å
120G32.3Very low33.3Very low30 Ų30132.7 Ų132.731%0.30972%0.724SS.*  cis140.8139-2.200000110D323G120-D323 VanDerWaalsContact CA-OD1 3.24Å; G120-D323 WeakPolarHBondContact CA-OD1 3.29Å
121V31.9Very low33.6Very low128 Ų128132.5 Ų132.578%0.77672%0.723SS**  cis146.2-6.9-17.5-65.90000114.5D323V121-D323 WeakPolarHBondContact CA-OD1 3.35Å; V121-D323 WeakPolarHBondContact CA-OD2 3.41Å; V121-D323 PolarHBondContact N-OD2 3.14Å
122A30.1Very low33.9Very low62 Ų62128.6 Ų128.651%0.51272%0.718SS.*  trans-114.1101-179.300000114.4D323A122-D323 PolarHBondContact N-OD2 3.36Å; A122-D323 VanDerWaalsContact N-OD2 3.1Å
123W30.1Very low33.8Very low246 Ų246132.1 Ų132.193%0.93272%0.724SS**  trans70.1137.8153.2-41.3-16.5000116
124S33Very low33.6Very low120 Ų120125.8 Ų125.884%0.83971%0.708SS**  cis-136.9142.723.3-58.60000114
125L36Very low33.9Very low151 Ų151129.9 Ų129.979%0.79172%0.718SS**  trans-80.6155.9155.4-97.3164000108.5
126P36.2Very low33.7Very low122 Ų122128.5 Ų128.579%0.79272%0.716SS**  -134.3146.656.438.6-23.4000116.5
127D32.3Very low34.1Very low149 Ų149125 Ų12580%0.79771%0.709SS**  -133141.9117.1-160.6-0.4000108
128A35.8Very low34.1Very low70 Ų70125.6 Ų125.658%0.57971%0.708SS**  trans-154.6148.2-166.700000113.1
129L36.9Very low34.1Very low163 Ų163123.7 Ų123.785%0.85371%0.707SS**  trans70.4106.9178.7-55.6155000112.5
130V34.7Very low34.1Very low123 Ų123124.9 Ų124.975%0.74573%0.729SS**  64.792.456-170.70000113.3
131V36.8Very low34.3Very low121 Ų121131.4 Ų131.473%0.73375%0.751SS**  trans36.1114.4135.7-173.10000117.5H133V131-H133 HydrophobicContact CG1-CB 4.25Å
132P39.3Very low34.7Very low122 Ų122132.2 Ų132.279%0.79275%0.75SS**  -106.7147.3107.532.1-34.5000110.3
133H30Very low35Very low170 Ų170133.6 Ų133.679%0.78776%0.762SS**  cis85.6128.628-161.975.2000114.8V131V131-H133 HydrophobicContact CG1-CB 4.25Å
134A29.7Very low35.3Very low66 Ų66133.2 Ų133.255%0.54576%0.76SS.*  trans78.4142.8167.500000120.6
135Q37.7Very low35.4Very low186 Ų186135.6 Ų135.687%0.86976%0.757SS**  trans7299142.9-75.4157.4-14.100121.7
136N29.8Very low35.6Very low149 Ų149134.4 Ų134.480%0.79776%0.756SS**  -43.8155.6126.5-126.92.8000110.7
137P42.1Very low35.5Very low101 Ų101134.3 Ų134.366%0.65675%0.749SS**  cis-146.8-172.123.641.2-19.6000117.5
138N32.9Very low35.6Very low126 Ų126134.5 Ų134.567%0.67475%0.745SS**  trans77143.1141.3-92.744.1000124.6
139D33.2Very low35.8Very low146 Ų146140.9 Ų140.978%0.78176%0.76SS**  trans69.7145.6144.2-57.4-31.6000123.5
140G36.4Very low35.8Very low72 Ų72142.7 Ų142.774%0.74276%0.761SS**  trans94.975.4170.900000115.3
141H36Very low36.1Very low167 Ų167142.4 Ų142.477%0.77376%0.761SS**  77.7151.662.6-164.3-108.1000114.9
142L40.4Very low35.9Very low144 Ų144140.9 Ų140.975%0.75476%0.762SS**  trans69.7101.2-172.9-50175000114.2
143A36Very low35.9Very low92 Ų92146.3 Ų146.376%0.7677%0.766SS**  cis74106.818.700000117.3
144R37Very low36.1Very low237 Ų237144.9 Ų144.989%0.89476%0.764SS**  trans-179.1106.4136.3-148.5163.877.3-168.46.8108.8
145H34.4Very low36.4Very low171 Ų171147.4 Ų147.479%0.79278%0.778SS**  76.1148.559.3-156.8-76.4000113.9
146V40.4Very low36.1Very low126 Ų126142 Ų14276%0.76477%0.772SS**  trans83.1142.4176.7-1740000115.7
147N34.2Very low36.4Very low120 Ų120141 Ų14164%0.64278%0.777SS**  cis-165.8171-35.1-168.432.1000109.7
148E34.5Very low35.9Very low153 Ų153145.8 Ų145.872%0.71579%0.787SS**  trans-24.8140.5166.2-59.5157.8132.500118.7
149K38.4Very low36.1Very low204 Ų204144.7 Ų144.789%0.88779%0.787SS**  -172.5133.2116.2-104.6161.1-176.4172.60114.7
150K37.2Very low36.2Very low201 Ų201143.2 Ų143.287%0.87479%0.788SS**  trans-79144153.9-90.9179.4174.4173.50109.3
151P42.2Very low36.1Very low117 Ų117146 Ų14676%0.7679%0.791SS**  -133.7146.711235.2-25.3000111.4
152A32.1Very low36.1Very low89 Ų89143.6 Ų143.674%0.73679%0.79SS**  cis79.479.740.700000114.1
153R39.3Very low35.8Very low235 Ų235144.8 Ų144.889%0.88779%0.792SS**  trans-177.6148.8159-103171.2173.7-160.9-3.5108
154N35.1Very low35.6Very low140 Ų140145.3 Ų145.375%0.74979%0.79SS**  cis-169.3174.2-32.9-110.98.6000108
155S34.7Very low35.5Very low119 Ų119145.9 Ų145.983%0.83279%0.792SS**  trans58.3106.2157.255.50000121.4
156G32.6Very low35.3Very low73 Ų73145.4 Ų145.475%0.75380%0.796SS**  trans86.5143.7141.600000118.5
157S34.9Very low35Very low127 Ų127147.8 Ų147.889%0.88880%0.798SS**  cis-154.9151.2-8.8-74.60000111.4
158K32Very low35Very low202 Ų202151.2 Ų151.288%0.87881%0.811SS**  trans-84.9173.5163-121.3-177.3177.1-178.40108.8
159P36.3Very low34.7Very low104 Ų104148.9 Ų148.968%0.67581%0.811SS**  cis-142.7-168.83.940.9-19.8000116.8
160S35.8Very low34.7Very low114 Ų114144.7 Ų144.780%0.79781%0.805SS**  trans84.9125.5144.6-61.80000123
161T34Very low34.4Very low132 Ų132146 Ų14681%0.8181%0.805SS**  trans-73.2174.5152.248.10000111.2
162P36.1Very low33.7Very low115 Ų115145.4 Ų145.475%0.74780%0.803SS**  cis-145.3-144.427.341.6-16.9000115.4
163E34.8Very low34Very low170 Ų170146 Ų14679%0.79480%0.799SS**  trans72.8107.7177.9-54.5-172.8160.600115.3
164S31Very low33.5Very low103 Ų103143.3 Ų143.372%0.7280%0.797SS**  cis83.4102.245.580.90000114.8
165W34.8Very low33.2Very low248 Ų248141.1 Ų141.194%0.93980%0.798SS**  trans-129.9117.5158.6-82.477.8000108.9
166N30.3Very low33.2Very low162 Ų162141.7 Ų141.787%0.86680%0.796SS**  trans-88.8123.5166.3-76.6-40000108.2
167E34.6Very low33.1Very low175 Ų175150.3 Ų150.382%0.81881%0.806SS**  trans-139.996.4145.8-75.7-152.9126.700110.5
168Q33.5Very low33.1Very low193 Ų193152.3 Ų152.390%0.90280%0.803SS**  trans64.2145.2153.7-59-1791.600119.7
169S29.7Very low33.4Very low104 Ų104148.1 Ų148.173%0.72780%0.797SS**  trans-130.7-172.8-165.569.10000110.4
170P37.5Very low33.4Very low115 Ų115147.9 Ų147.975%0.74780%0.803SS**  -111.1-84.7-112.218.34.8000114.9
171W32.3Very low33.3Very low230 Ų230149.3 Ų149.387%0.87180%0.802SS**  trans71.499.9175-57.285.5000119.7
172S26Very low33.3Very low104 Ų104150.6 Ų150.673%0.72780%0.799SS**  -104176.812561.50000107.9
173P38.6Very low33.4Very low100 Ų100152.4 Ų152.465%0.64980%0.797SS**  cis-131-159.3-4.542.6-23.7000113.2
174E28.5Very low33.6Very low180 Ų180152.9 Ų152.984%0.84180%0.8SS**  trans42122.2151.3-72.7177.4109.200124.3
175A29.9Very low33.8Very low94 Ų94154.4 Ų154.478%0.77780%0.799SS**  trans74.3178.5134.600000120.9
176V34.3Very low34.3Very low130 Ų130147.4 Ų147.479%0.78879%0.786SS**  trans70.4108.7177.8-1680000117.3
177W30.4Very low34.8Very low255 Ų255145.7 Ų145.797%0.96678%0.781SS**  trans-115.7109.4151.3-88.278.7000108.3
178M35.7Very low35Very low168 Ų168142.2 Ų142.283%0.82878%0.783SS**  trans-152.7144.1156.3-84.1-52.7-75.300109.3
179P37.2Very low35.3Very low114 Ų114136.6 Ų136.674%0.7478%0.776SS**  trans-97.6164.8-17738.3-35.8000114
180A36Very low35.5Very low99 Ų99138.1 Ų138.182%0.81879%0.787SS**  trans-153.315316200000110.5
181D33.9Very low35.3Very low145 Ų145136.1 Ų136.178%0.77579%0.787SS**  trans-97-162-175.3-68.9-74.5000113.5
182H35.1Very low35.3Very low159 Ų159130.4 Ų130.474%0.73678%0.782SS**  trans81.7146.1171.1-49.3-83.5000116.4
183E37.1Very low35.8Very low153 Ų153132.4 Ų132.472%0.71578%0.784SS**  cis-151.5-169.5-23.6-122.5163.686.300107
184E38.2Very low35.4Very low180 Ų180135 Ų13584%0.84179%0.787SS**  cis-131.1153.321.3-67171.6110.400109
185D35.3Very low35.8Very low134 Ų134134.3 Ų134.372%0.71778%0.784SS**  77.3159.970.4-133.436000113.9
186P46.3Very low35.9Very low102 Ų102135.2 Ų135.266%0.66279%0.785SS**  cis-141.2-179.210.534-8.8000119.8
187V40.2Very low36.6Very low126 Ų126134.2 Ų134.276%0.76478%0.781SS**  trans108.5100.4148.4-169.60000120.8
188A38.6Very low36.7Very low102 Ų102129 Ų12984%0.84377%0.772SS**  trans57.4146137.900000123.1
189G39.8Very low36.4Very low75 Ų75126.9 Ų126.977%0.77376%0.764SS**  cis-175.6-178.71.900000116.2
190S35.2Very low36.1Very low136 Ų136132.1 Ų132.195%0.95177%0.769SS**  trans-63.2169.1-171.4-39.30000116.2
191G33.8Very low35.9Very low73 Ų73133.3 Ų133.375%0.75377%0.766SS**  cis-176.4-155.57.700000109.1
192S31.6Very low35.7Very low109 Ų109131.5 Ų131.576%0.76276%0.764SS**  cis-172.8-172.6-7.957.60000109.7
193L36.2Very low35.7Very low147 Ų147128.4 Ų128.477%0.7777%0.766SS**  trans73.9128.5175.2-57.5168.6000115.9
194Q29.5Very low35.4Very low153 Ų153128.3 Ų128.372%0.71578%0.776SS**  76.9127.954.6-166.8171.9-14.900110.7
195E36.9Very low35.3Very low167 Ų167128 Ų12878%0.7878%0.775SS**  cis-148.5-163.343-159.3137.2-128.300115.7
196S32.8Very low35.6Very low112 Ų112126.1 Ų126.178%0.78377%0.77SS**  trans-105.7170.3-162.5-102.40000116
197P49.7Very low34.8Very low109 Ų109129.8 Ų129.871%0.70878%0.778SS**  trans-97.8174.3-162.439.4-38.4000115
198N32.6Very low34.6Very low145 Ų145134.7 Ų134.778%0.77578%0.783SS**  trans-170.4139.2144.5-107.7-51.2000118.1
199N28.8Very low34.7Very low124 Ų124135.6 Ų135.666%0.66378%0.78SS**  trans67.8136.7138.1-84.9-46.2000126.3
200R30.3Very low34.4Very low225 Ų225135.4 Ų135.485%0.84978%0.778SS**  trans72.4158.9141.3-73.8178.6178.5-166.4-1120.3
201V32.6Very low34.9Very low124 Ų124134.9 Ų134.975%0.75277%0.772SS**  cis-170.7164.9-39.4115.20000109.2
202S30Very low34.9Very low106 Ų106136.2 Ų136.274%0.74177%0.768SS**  trans74.5132.3179.5-54.70000114.8
203A34.5Very low35Very low94 Ų94139.5 Ų139.578%0.77777%0.769SS**  cis84121.225.500000115.7
204V31Very low35.1Very low151 Ų151138.4 Ų138.492%0.91577%0.768SS**  trans-174.9139.4151.9136.10000110.3
205Q35.9Very low35.4Very low175 Ų175136.1 Ų136.182%0.81877%0.765SS**  trans-98.4-174.5171.6-120-161.53.100109.4
206P40.8Very low35.4Very low94 Ų94134 Ų13461%0.6177%0.765SS**  cis-120.4-126.610.126.21.2000111.8
207Q30.2Very low35.7Very low179 Ų179136.8 Ų136.884%0.83677%0.771SS**  cis-157.5178.82.1-148.1164.731.400114.7
208R35Very low35Very low228 Ų228136.5 Ų136.586%0.8677%0.772SS**  trans-77.5-175.5176.2-109.5179.1176.3-170.20.3113.8
209P42.4Very low35Very low121 Ų121134.3 Ų134.379%0.78677%0.767SS**  cis-138.3-177.6-13.235.4-15.6000115.8
210G32.9Very low35.5Very low72 Ų72135.6 Ų135.674%0.74277%0.769SS**  trans156.2118.7151.200000118
211P45.1Very low35.8Very low125 Ų125132.8 Ų132.881%0.81276%0.764SS**  trans-134172-179.442.8-29.7000116.7
212C33.2Very low36.1Very low100 Ų100136.6 Ų136.668%0.67677%0.77SS**  trans153.9151.8148.6-83.80000111.3
213K35.4Very low36.3Very low179 Ų179140.3 Ų140.378%0.77877%0.768SS**  cis-162-146.6-13.6-88.1156.9177.8151.60105.8
214T37.9Very low36.2Very low123 Ų123141 Ų14176%0.75575%0.75SS**  cis-174.7155-9.53.50000105.3
215T36Very low36.4Very low106 Ų106138.3 Ų138.365%0.6573%0.727SS**  cis-161.9144-11.1-37.70000109.6L217T215-L217 HydrophobicContact CG2-CD1 4.27Å
216P36Very low36.1Very low121 Ų121137.6 Ų137.679%0.78672%0.718SS**  trans-110.6161.5167.538.2-30.7000114.6
217L40Very low36.5Very low171 Ų171139.1 Ų139.190%0.89573%0.728SS**  trans-146176.7-177.2-103.9107.1000116.7T215T215-L217 HydrophobicContact CG2-CD1 4.27Å
218S34.1Very low36.8Very low104 Ų104139.3 Ų139.373%0.72773%0.734SS**  trans-135.6171.7-150.193.60000114.3
219S33.7Very low37.1Very low98 Ų98131.5 Ų131.569%0.68573%0.725SS**  cis-178.4-151.9-10.752.30000110.7
220Q38.5Very low36.8Very low151 Ų151133.5 Ų133.571%0.70673%0.729SS**  trans91.9150.3169.4-49.9-164.223.300117.6
221K37.6Very low37.1Very low167 Ų167133.2 Ų133.273%0.72673%0.726SS**  cis-168.3139.5-1.4-124.7173.5-171.8152.90115.8
222K37Very low36.9Very low203 Ų203134.9 Ų134.988%0.88373%0.726SS**  trans45.3164.3140.3-77.8-177.1179.3-177.70123.6
223R35.5Very low37.3Very low185 Ų185135.9 Ų135.970%0.69873%0.729SS**  cis-170.1118.9-10161.3-120.7161.1-167.5-4.5115.8
224R33Very low37.4Very low107 Ų107133.5 Ų133.540%0.40473%0.73SS.*  50.5140.9124.5-123.7-172.7-150.2-101.87.1126.7Y226 P948 T949R224-Y226 PolarHBondContact NH1-OH 3.15Å; R224-P948 HydrophobicContact CG-CG 3.82Å; R224-P948 VanDerWaalsContact NE-CG 3.33Å; R224-T949 CarbonylContact C-O 3.58Å; R224-T949 WeakPolarHBondContact CA-O 3.5Å
225Q34.2Very low37.5Very low95 Ų95135.4 Ų135.444%0.44473%0.728SS.*  trans109.6177.7147.9-62.5160-106.100120.3T949Q225-T949 PolarHBondContact N-O 2.75Å
226Y30.2Very low37.8Very low160 Ų160137.4 Ų137.463%0.62773%0.73SS**  -158.6159.2-83.7-73.1-34.8000115R224R224-Y226 PolarHBondContact NH1-OH 3.15Å
227P47.6Very low38Very low126 Ų126138.1 Ų138.182%0.81873%0.727SS**  trans-135.3174.3-175.444-28.4000119.9
228L38.4Very low38.5Very low183 Ų183137.2 Ų137.296%0.95872%0.722SS**  trans-167.9143167.1-179.460.2000117.7
229G40Very low38.6Very low64 Ų64139.7 Ų139.766%0.6673%0.727SS**  trans120.8165.6159.900000117.8
230D35.9Very low38.8Very low164 Ų164140.6 Ų140.688%0.87773%0.733SS**  cis-169.3179.8-30.5-144.3-77.9000112.8
231G40.1Very low38.8Very low66 Ų66139.2 Ų139.268%0.6874%0.735SS**  trans160.1152.7170.900000121.7
232I40.4Very low38.7Very low159 Ų159137 Ų13782%0.81574%0.736SS**  trans-149.4171.5-168.4-51.2-178.4000115
233V41.1Very low38.7Very low121 Ų121134.8 Ų134.873%0.73373%0.733SS**  trans87.4115170.3-1730000115.8
234T38Very low38.6Very low130 Ų130132 Ų13280%0.79874%0.737SS**  cis86.8142.844.865.20000115.2
235K39.2Very low39Very low163 Ų163132.4 Ų132.471%0.70976%0.756SS**  cis-168.4172.333.7-159.8-172.9166.1-150.20113.7
236E43Very low39.3Very low148 Ų148135.9 Ų135.969%0.69277%0.77SS**  trans68.2154.5158.8-79.7146.716600122.6
237D40.6Very low39.9Very low136 Ų136134.9 Ų134.973%0.72777%0.771SS**  cis-171.4167.3-30.2-162.816.6000114.4
238L49.8Very low39.2Very low152 Ų152135.5 Ų135.580%0.79677%0.767SS**  trans87.2144.5159.8-58.2-179.6000125
239D36.1Very low39.1Very low156 Ų156133.5 Ų133.583%0.83476%0.756SS**  trans-122.9163.4-171.8-74.5-66.4000115.6
240S39Very low39Very low117 Ų117137.4 Ų137.482%0.81876%0.761SS**  trans176.4118137.9-78.60000113.6
241T38.9Very low39.1Very low121 Ų121135.4 Ų135.474%0.74276%0.757SS**  85.5133.563.76.30000120.6
242T34.2Very low39Very low122 Ų122143.7 Ų143.775%0.74877%0.768SS**  trans72154152.659.60000121.4
243L36.5Very low38.5Very low155 Ų155141.9 Ų141.981%0.81276%0.764SS**  cis-158.8-174-9.4-112.2169.1000114.3
244T33.6Very low38.3Very low127 Ų127143.4 Ų143.478%0.77977%0.768SS**  trans-100.5159.7-154.649.40000121.7
245S41.7Very low38Very low115 Ų115145.9 Ų145.980%0.80477%0.77SS**  trans-171.3152.3156.943.30000110.1
246K40.6Very low37.9Very low169 Ų169143.3 Ų143.374%0.73577%0.771SS**  cis77.1138.3-6.7-126.7-167.2168.5-144.70118.8
247E42.1Very low37.7Very low138 Ų138145 Ų14565%0.64578%0.778SS**  cis-117.5165.11.8-99.585.6164.300110.4
248D34.3Very low37.4Very low140 Ų140143.4 Ų143.475%0.74977%0.774SS**  cis98.2145.838.3-149.9-0.6000115.5
249L36.1Very low36.7Very low140 Ų140145.6 Ų145.673%0.73378%0.777SS**  trans88.4125.3170.3-57.3-179.9000123.9
250I38.6Very low36.6Very low147 Ų147149.5 Ų149.575%0.75478%0.781SS**  trans73.1124.1147.8-60.4160.5000120.4
251P37.4Very low36.5Very low122 Ų122155.9 Ų155.979%0.79279%0.787SS**  trans-94.3151.2167.237.1-32.8000113.6
252R37.5Very low36.2Very low240 Ų240154.7 Ų154.791%0.90679%0.789SS**  trans-139.4147.4163.1-103.1-172.7173.9-105-0.2112.4
253T30.4Very low36.1Very low120 Ų120158.5 Ų158.574%0.73680%0.798SS**  trans-69.6145.7173.1-33.10000111
254D35.8Very low35.9Very low153 Ų153154.4 Ų154.482%0.81879%0.793SS**  -171.2159.3122.6-87-27.2000111
255Q31.9Very low36Very low182 Ų182155.9 Ų155.985%0.8580%0.796SS**  trans-132.9-175.7174.7-67.6-162.3-14.500109
256P37.9Very low35.9Very low110 Ų110160.1 Ų160.171%0.71480%0.803SS**  -125.2167.8-70.837.7-23.8000110.7
257E38.3Very low35.9Very low182 Ų182156.5 Ų156.585%0.8580%0.804SS**  trans-138.9139.6166.2-156.6162.1-148.100113.3
258T33.7Very low35.6Very low103 Ų103157.9 Ų157.963%0.63282%0.815SS**  trans-111131-169.752.40000111.8
259F36.7Very low35.6Very low199 Ų199154.8 Ų154.887%0.87382%0.817SS**  trans-137.6129.7154.9-86-72.9000112.6
260W33.1Very low35.6Very low238 Ų238153.2 Ų153.290%0.90282%0.817SS**  trans-93.8144.2178.6-62.686.7000111.1
261R36.8Very low35.6Very low251 Ų251151.9 Ų151.995%0.94782%0.816SS**  trans-150136.7148.1-151.2169.4-65.6-1692.5109.5
262A33.2Very low36Very low96 Ų96150.2 Ų150.279%0.79381%0.813SS**  trans-110.3119.5-167.500000112.3
263Q31.4Very low36.6Very low201 Ų201144.9 Ų144.994%0.93980%0.802SS**  trans-157.4133.6158.6-139.3168.1-1.100108.3
264G33.6Very low37.8Very low69 Ų69144.3 Ų144.371%0.71181%0.81SS**  trans99.865.9-175.800000115
265L35.6Very low39.7Very low159 Ų159140.6 Ų140.683%0.83279%0.789SS**  trans-67.7162.9155.2-88.473.7000109.6
266E38.4Very low42Very low204 Ų204134.7 Ų134.795%0.95377%0.768SS**SBendtrans89.3-20.5172.6-52.9-176.1165.100118.5
267A41.4Very low43.9Very low92 Ų92135.2 Ų135.276%0.7677%0.765SS**SBendtrans-92.5-4.8-171.600000117.6
268L35Very low46.2Very low167 Ų167130.3 Ų130.387%0.87475%0.75SS**  trans-126.285.3-174.5-88.8159.3000112.6S270L268-S270 PolarHBondContact O-N 2.69Å
269G35.8Very low49Very low76 Ų76128.4 Ų128.478%0.78474%0.736SS**  trans-64.699164.900000109.9V271G269-V271 PolarHBondContact O-N 3.34Å
270S35.1Very low51.6Low106 Ų106126.3 Ų126.374%0.74172%0.722SS**  trans-49.2129.5-166.3-173.90000113.9L268 A272L268-S270 PolarHBondContact O-N 2.69Å; S270-A272 PolarHBondContact O-N 2.6Å
271V38.9Very low54.4Low119 Ų119119 Ų11972%0.72170%0.704SS**  trans-69.881.9171.4-1770000108.5G269 N273G269-V271 PolarHBondContact O-N 3.34Å; V271-N273 PolarHBondContact O-N 2.78Å
272A44.8Very low57Low88 Ų88111.8 Ų111.873%0.72768%0.681SS**  trans-70.479.8174.500000109.3S270 A274S270-A272 PolarHBondContact O-N 2.6Å; A272-A274 PolarHBondContact O-N 2.82Å
273N50.9Low59.8Low127 Ų127113.9 Ų113.968%0.67967%0.668SS**  trans-42.2126.9177-76.5-34.3000110.3V271 L275V271-N273 PolarHBondContact O-N 2.78Å; N273-L275 PolarHBondContact O-N 3.28Å
274A54.7Low62.7Low109 Ų109108.3 Ų108.390%0.90165%0.645SS**  trans-73.171.3-174.100000111.3A272 S276A272-A274 PolarHBondContact O-N 2.82Å; A274-S276 PolarHBondContact O-N 2.84Å
275L76.1Confident65.6Low74 Ų74111.2 Ų111.239%0.38763%0.634SS.*  trans-51.2135.5175.8-70.8176.8000110.3N273 D279N273-L275 PolarHBondContact O-N 3.28Å; L275-D279 HydrophobicContact CB-CB 4.25Å; L275-D279 HydrophobicContact CD2-CB 4.1Å
276S80.6Confident68.4Low59 Ų59108.1 Ų108.141%0.41362%0.618SS.*  trans-57.6154.2173.8-176.70000110.2A274 S278 D279 R280A274-S276 PolarHBondContact O-N 2.84Å; S276-S278 PolarHBondContact O-N 3.32Å; S276-S278 PolarHBondContact OG-N 2.89Å; S276-D279 WeakPolarHBondContact CB-OD1 3.3Å; S276-D279 WeakPolarHBondContact CB-OD2 3.31Å; S276-D279 PolarHBondContact N-OD2 3.47Å; S276-D279 PolarHBondContact O-N 3.01Å; S276-D279 VanDerWaalsContact O-N 3.08Å; S276-R280 PolarHBondContact O-N 3.06Å
277L78.6Confident71Confident121 Ų121103 Ų10363%0.63460%0.597SS**Hα-helixtrans-57.6-32.7173.7-162.9149.4000110.3V281L277-V281 HydrophobicContact CD2-CG2 4.04Å; L277-V281 WeakPolarHBondContact O-CB 3.27Å; L277-V281 VanDerWaalsContact O-CG2 3.26Å; L277-V281 WeakPolarHBondContact O-CG2 3.35Å; L277-V281 PolarHBondContact O-N 2.94Å
278S86.7Confident73.4Confident78 Ų78103.6 Ų103.655%0.54559%0.587SS.*Hα-helixtrans-58-59.4168.8-550000112.3S276 R280 V281 E282S276-S278 PolarHBondContact O-N 3.32Å; S276-S278 PolarHBondContact OG-N 2.89Å; S278-R280 PolarHBondContact O-N 3.48Å; S278-R280 VanDerWaalsContact O-N 3.16Å; S278-V281 CarbonylContact O-C 3.02Å; S278-V281 WeakPolarHBondContact O-CA 3.2Å; S278-V281 PolarHBondContact O-N 2.86Å; S278-E282 PolarHBondContact O-N 3.04Å
279D91.9Very high76.2Confident64 Ų6499.5 Ų99.534%0.34256%0.563SS.*Hα-helixtrans-60.7-30.1-176.3-31-27.3000112.6L275 S276 R283L275-D279 HydrophobicContact CB-CB 4.25Å; L275-D279 HydrophobicContact CD2-CB 4.1Å; S276-D279 WeakPolarHBondContact CB-OD1 3.3Å; S276-D279 WeakPolarHBondContact CB-OD2 3.31Å; S276-D279 PolarHBondContact N-OD2 3.47Å; S276-D279 PolarHBondContact O-N 3.01Å; S276-D279 VanDerWaalsContact O-N 3.08Å; D279-R283 WeakPolarHBondContact O-CB 3.16Å; D279-R283 WeakPolarHBondContact O-CG 3.5Å; D279-R283 PolarHBondContact O-N 3.12Å
280R91.7Very high78.6Confident154 Ų154101.7 Ų101.758%0.58155%0.553SS**Hα-helixtrans-76.5-36.2175.5-162.9176.869.8-175.51.1112S276 S278 N284S276-R280 PolarHBondContact O-N 3.06Å; S278-R280 PolarHBondContact O-N 3.48Å; S278-R280 VanDerWaalsContact O-N 3.16Å; R280-N284 WeakPolarHBondContact O-CB 3.35Å; R280-N284 VanDerWaalsContact O-CG 3.24Å; R280-N284 PolarHBondContact O-N 2.6Å; R280-N284 PolarHBondContact O-ND2 3.26Å
281V92Very high81.1Confident85 Ų85101.1 Ų101.152%0.51554%0.541SS..Hα-helixtrans-68.3-40.3170.91670000111L277 S278 N284 R285L277-V281 HydrophobicContact CD2-CG2 4.04Å; L277-V281 WeakPolarHBondContact O-CB 3.27Å; L277-V281 VanDerWaalsContact O-CG2 3.26Å; L277-V281 WeakPolarHBondContact O-CG2 3.35Å; L277-V281 PolarHBondContact O-N 2.94Å; S278-V281 CarbonylContact O-C 3.02Å; S278-V281 WeakPolarHBondContact O-CA 3.2Å; S278-V281 PolarHBondContact O-N 2.86Å; V281-N284 PolarHBondContact O-N 2.9Å; V281-R285 WeakPolarHBondContact O-CB 3.26Å; V281-R285 PolarHBondContact O-N 3.21Å
282E91.7Very high83.4Confident99 Ų99100.5 Ų100.546%0.46353%0.533SS..Hα-helixtrans-66.1-44.8176-71.9-126.4104.500112.3S278 N284 R285 L286S278-E282 PolarHBondContact O-N 3.04Å; E282-N284 VanDerWaalsContact C-N 3.32Å; E282-N284 PolarHBondContact O-N 3.01Å; E282-R285 WeakPolarHBondContact O-CB 3.34Å; E282-R285 PolarHBondContact O-N 2.95Å; E282-R285 VanDerWaalsContact O-N 3.13Å; E282-R285 IonicContact OE1-CZ 2.75Å; E282-R285 IonicContact OE1-NE 3.53Å; E282-R285 IonicContact OE1-NH2 3.15Å; E282-R285 PolarHBondContact OE1-NH2 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.31Å; E282-L286 PolarHBondContact O-N 3.06Å
283R91.1Very high85.2Confident140 Ų140102.6 Ų102.653%0.52853%0.526SS..Hα-helixtrans-57.2-44.4170.8-83.6-178.417676.7-5.4112.1D279 R285 L286 L287D279-R283 WeakPolarHBondContact O-CB 3.16Å; D279-R283 WeakPolarHBondContact O-CG 3.5Å; D279-R283 PolarHBondContact O-N 3.12Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 3.5Å; R283-L286 PolarHBondContact O-N 3.05Å; R283-L287 VanDerWaalsContact O-CB 3.28Å; R283-L287 WeakPolarHBondContact O-CB 3.44Å; R283-L287 PolarHBondContact O-N 3.46Å
284N92.8Very high86.4Confident85 Ų85101.2 Ų101.246%0.45552%0.521SS..Hα-helixtrans-64.6-36.5176.1-74.6-10.8000112.3R280 V281 E282 L288R280-N284 WeakPolarHBondContact O-CB 3.35Å; R280-N284 VanDerWaalsContact O-CG 3.24Å; R280-N284 PolarHBondContact O-N 2.6Å; R280-N284 PolarHBondContact O-ND2 3.26Å; V281-N284 PolarHBondContact O-N 2.9Å; E282-N284 VanDerWaalsContact C-N 3.32Å; E282-N284 PolarHBondContact O-N 3.01Å; N284-L288 WeakPolarHBondContact O-CB 3.46Å; N284-L288 VanDerWaalsContact O-CG 3.26Å; N284-L288 WeakPolarHBondContact O-CG 3.26Å; N284-L288 PolarHBondContact O-N 3.15Å
285R94.5Very high86.7Confident129 Ų129100 Ų10049%0.48751%0.506SS..Hα-helixtrans-65.1-44.6174.7-173.3179.470.8120.5-6.8111.6V281 E282 R283 L288 Q289V281-R285 WeakPolarHBondContact O-CB 3.26Å; V281-R285 PolarHBondContact O-N 3.21Å; E282-R285 WeakPolarHBondContact O-CB 3.34Å; E282-R285 PolarHBondContact O-N 2.95Å; E282-R285 VanDerWaalsContact O-N 3.13Å; E282-R285 IonicContact OE1-CZ 2.75Å; E282-R285 IonicContact OE1-NE 3.53Å; E282-R285 IonicContact OE1-NH2 3.15Å; E282-R285 PolarHBondContact OE1-NH2 3.29Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 3.5Å; R285-L288 PolarHBondContact O-N 3.12Å; R285-Q289 WeakPolarHBondContact O-CG 3.24Å; R285-Q289 PolarHBondContact O-N 2.91Å
286L93.7Very high86Confident94 Ų94106.8 Ų106.849%0.49253%0.527SS..Hα-helixtrans-65.9-46.4177.5-70171.5000111.3E282 R283 L288 Q289 E290E282-L286 WeakPolarHBondContact O-CG 3.31Å; E282-L286 PolarHBondContact O-N 3.06Å; R283-L286 PolarHBondContact O-N 3.05Å; L286-L288 VanDerWaalsContact C-N 3.31Å; L286-L288 PolarHBondContact O-N 3.01Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 WeakPolarHBondContact O-CB 3.13Å; L286-Q289 PolarHBondContact O-N 3.02Å; L286-Q289 VanDerWaalsContact O-N 3.1Å; L286-E290 WeakPolarHBondContact O-CB 3.11Å; L286-E290 PolarHBondContact O-N 3.5Å
287L93.6Very high84.6Confident97 Ų97111.6 Ų111.651%0.50854%0.543SS..Hα-helixtrans-58.3-41.9175.6-176.567.2000111.9R283 E290 I291R283-L287 VanDerWaalsContact O-CB 3.28Å; R283-L287 WeakPolarHBondContact O-CB 3.44Å; R283-L287 PolarHBondContact O-N 3.46Å; L287-E290 PolarHBondContact O-N 2.93Å; L287-I291 HydrophobicContact CD1-CD1 4.39Å; L287-I291 HydrophobicContact CG-CD1 4.03Å; L287-I291 WeakPolarHBondContact O-CB 3.14Å; L287-I291 VanDerWaalsContact O-CG1 3.27Å; L287-I291 WeakPolarHBondContact O-CG1 2.96Å; L287-I291 PolarHBondContact O-N 2.86Å
288L91.3Very high82.7Confident104 Ų104111.1 Ų111.155%0.54555%0.55SS..Hα-helixtrans-66.2-40.5174.2-75.4169.2000112.4N284 R285 L286 E290 L292N284-L288 WeakPolarHBondContact O-CB 3.46Å; N284-L288 VanDerWaalsContact O-CG 3.26Å; N284-L288 WeakPolarHBondContact O-CG 3.26Å; N284-L288 PolarHBondContact O-N 3.15Å; R285-L288 PolarHBondContact O-N 3.12Å; L286-L288 VanDerWaalsContact C-N 3.31Å; L286-L288 PolarHBondContact O-N 3.01Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 2.61Å; L288-L292 VanDerWaalsContact O-CB 3.31Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CD1 3.44Å; L288-L292 WeakPolarHBondContact O-CG 3.49Å; L288-L292 PolarHBondContact O-N 2.88Å
289Q93Very high80.8Confident81 Ų81112.5 Ų112.538%0.37956%0.557SS.*Hα-helixtrans-63-36.5172.8-75.6-174.76.900112.3R285 L286 L292 K293R285-Q289 WeakPolarHBondContact O-CG 3.24Å; R285-Q289 PolarHBondContact O-N 2.91Å; L286-Q289 CarbonylContact O-C 3.57Å; L286-Q289 WeakPolarHBondContact O-CB 3.13Å; L286-Q289 PolarHBondContact O-N 3.02Å; L286-Q289 VanDerWaalsContact O-N 3.1Å; Q289-L292 CarbonylContact O-C 3.56Å; Q289-L292 PolarHBondContact O-N 2.96Å; Q289-K293 WeakPolarHBondContact O-CB 3.28Å; Q289-K293 VanDerWaalsContact O-CG 3.24Å; Q289-K293 WeakPolarHBondContact O-CG 3.33Å; Q289-K293 PolarHBondContact O-N 2.76Å
290E87.5Confident78.5Confident122 Ų122115.7 Ų115.757%0.5758%0.581SS**Hα-helixtrans-71.9-44.8179.4-167.5161.9-172.400111.6L286 L287 L288 L292 K293 V294L286-E290 WeakPolarHBondContact O-CB 3.11Å; L286-E290 PolarHBondContact O-N 3.5Å; L287-E290 PolarHBondContact O-N 2.93Å; L288-E290 VanDerWaalsContact C-N 3.3Å; L288-E290 PolarHBondContact O-N 2.61Å; E290-L292 VanDerWaalsContact C-N 3.26Å; E290-L292 PolarHBondContact O-N 2.78Å; E290-K293 PolarHBondContact O-N 2.87Å; E290-V294 HydrophobicContact CG-CG2 4.48Å; E290-V294 WeakPolarHBondContact O-CG2 3.19Å; E290-V294 PolarHBondContact O-N 3.18Å
291I86.9Confident76.3Confident94 Ų94118.4 Ų118.448%0.48260%0.597SS.*Hα-helixtrans-56.9-40.5170.3-68.5164.6000110.9L287 K293 S295L287-I291 HydrophobicContact CD1-CD1 4.39Å; L287-I291 HydrophobicContact CG-CD1 4.03Å; L287-I291 WeakPolarHBondContact O-CB 3.14Å; L287-I291 VanDerWaalsContact O-CG1 3.27Å; L287-I291 WeakPolarHBondContact O-CG1 2.96Å; L287-I291 PolarHBondContact O-N 2.86Å; I291-K293 VanDerWaalsContact C-N 3.35Å; I291-S295 VanDerWaalsContact O-CB 3.27Å; I291-S295 WeakPolarHBondContact O-CB 3.14Å; I291-S295 PolarHBondContact O-N 2.94Å; I291-S295 PolarHBondContact O-OG 3Å
292L86.5Confident73.8Confident107 Ų107119 Ų11956%0.5661%0.611SS**Hα-helixtrans-74.3-18.3176.7-71.2170.6000114.4L288 Q289 E290 S295 R296L288-L292 VanDerWaalsContact O-CB 3.31Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CD1 3.44Å; L288-L292 WeakPolarHBondContact O-CG 3.49Å; L288-L292 PolarHBondContact O-N 2.88Å; Q289-L292 CarbonylContact O-C 3.56Å; Q289-L292 PolarHBondContact O-N 2.96Å; E290-L292 VanDerWaalsContact C-N 3.26Å; E290-L292 PolarHBondContact O-N 2.78Å; L292-S295 WeakPolarHBondContact CA-OG 3.49Å; L292-R296 WeakPolarHBondContact O-CD 3.35Å; L292-R296 WeakPolarHBondContact O-CG 3.32Å
293K83.2Confident71.1Confident132 Ų132118 Ų11857%0.57463%0.626SS**Hα-helixtrans-83-50.1170.3-76.2165.6-179.4176.50110.8Q289 E290 I291 S295 R296Q289-K293 WeakPolarHBondContact O-CB 3.28Å; Q289-K293 VanDerWaalsContact O-CG 3.24Å; Q289-K293 WeakPolarHBondContact O-CG 3.33Å; Q289-K293 PolarHBondContact O-N 2.76Å; E290-K293 PolarHBondContact O-N 2.87Å; I291-K293 VanDerWaalsContact C-N 3.35Å; K293-S295 PolarHBondContact O-N 2.82Å; K293-R296 WeakPolarHBondContact O-CB 3.4Å; K293-R296 PolarHBondContact O-N 2.97Å
294V75.8Confident68.3Low97 Ų97117.3 Ų117.359%0.58864%0.644SS**Hα-helixtrans-62.1-42.4179.8174.40000111.2E290 R296 Q297E290-V294 HydrophobicContact CG-CG2 4.48Å; E290-V294 WeakPolarHBondContact O-CG2 3.19Å; E290-V294 PolarHBondContact O-N 3.18Å; V294-R296 PolarHBondContact O-N 2.82Å; V294-R296 VanDerWaalsContact O-N 3.11Å; V294-Q297 PolarHBondContact O-N 3.29Å
295S62Low66Low84 Ų84118 Ų11859%0.58765%0.653SS**THydrogen-bonded Turntrans-67.4-7.8175.156.70000114.8I291 L292 K293I291-S295 VanDerWaalsContact O-CB 3.27Å; I291-S295 WeakPolarHBondContact O-CB 3.14Å; I291-S295 PolarHBondContact O-N 2.94Å; I291-S295 PolarHBondContact O-OG 3Å; L292-S295 WeakPolarHBondContact CA-OG 3.49Å; K293-S295 PolarHBondContact O-N 2.82Å
296R60.3Low63.1Low216 Ų216118.7 Ų118.782%0.81567%0.666SS**THydrogen-bonded Turntrans-97.3-1.6169.6-72.3177.5175.1-102.30.7113.7L292 K293 V294L292-R296 WeakPolarHBondContact O-CD 3.35Å; L292-R296 WeakPolarHBondContact O-CG 3.32Å; K293-R296 WeakPolarHBondContact O-CB 3.4Å; K293-R296 PolarHBondContact O-N 2.97Å; V294-R296 PolarHBondContact O-N 2.82Å; V294-R296 VanDerWaalsContact O-N 3.11Å
297Q51.9Low60.4Low160 Ų160126.2 Ų126.275%0.74869%0.688SS**  trans-117.362.1-179.6-68.1-172.2-15.100111.7V294V294-Q297 PolarHBondContact O-N 3.29Å
298S38.3Very low57.7Low111 Ų111127 Ų12778%0.77670%0.697SS**PPolyproline II helixtrans-74.2125161.6179.60000109
299P48.1Very low54.7Low107 Ų107126.7 Ų126.770%0.69570%0.703SS**PPolyproline II helixtrans-69.3149.3-177.127.9-34.7000112.3K301P299-K301 PolarHBondContact O-N 2.8Å
300P43.5Very low52.2Low131 Ų131133.3 Ų133.385%0.85173%0.725SS**PPolyproline II helixtrans-71.5127.1178.429.4-33.9000110.8
301K44.4Very low49.6Very low212 Ų212132.7 Ų132.792%0.92273%0.726SS**PPolyproline II helixtrans-89116.4178.4-169.6175.6-178.2-178.50110.4P299P299-K301 PolarHBondContact O-N 2.8Å
302A40.2Very low47.3Very low97 Ų97136.7 Ų136.780%0.80274%0.735SS**PPolyproline II helixtrans-87.5156.3178.300000113
303G34.9Very low45Very low77 Ų77138 Ų13879%0.79474%0.742SS**  trans115.9127.3150.800000118.1
304S32.8Very low42.7Very low127 Ų127136.2 Ų136.289%0.88875%0.752SS**  trans80143.3162.9-146.30000118.5
305P43.1Very low41Very low99 Ų99137.7 Ų137.764%0.64377%0.767SS**  trans-130.8-167.7-154.242-22.6000116
306D33.8Very low39.5Very low143 Ų143140.7 Ų140.777%0.76577%0.771SS**  trans67.6101.5156-57.2-28.1000121.1
307W37Very low38.4Very low252 Ų252140.3 Ų140.396%0.95577%0.77SS**  -156140.7105.3-117-28000113.9
308T36.5Very low38Very low113 Ų113138.1 Ų138.169%0.69377%0.77SS**  trans-51.5141.4172.543.90000114.3
309S28.9Very low38Very low98 Ų98137.5 Ų137.569%0.68577%0.771SS**  76.799.854176.50000115.8
310W40.4Very low37.6Very low221 Ų221135.5 Ų135.584%0.83777%0.77SS**  trans-152.2136.4141.2-66.4103.2000106
311D33.9Very low37.3Very low108 Ų108137.3 Ų137.358%0.57877%0.773SS**  cis72135.948.8-144.832.3000111.1
312R38.7Very low37.8Very low178 Ų178132.1 Ų132.167%0.67276%0.759SS**  cis-158.217115.1-160.8-179.3-73177-0.9111.9
313D36.5Very low37.8Very low135 Ų135130.3 Ų130.372%0.72274%0.735SS**  trans55.7132.5160.5-62.5-37.9000119.3
314A35.4Very low38.3Very low94 Ų94135.4 Ų135.478%0.77773%0.731SS**  cis85.496.327.600000115.9
315S39.7Very low38.5Very low129 Ų129132.9 Ų132.990%0.90271%0.707SS**  trans-148146.7140.3-167.80000109.6
316E32Very low38.3Very low146 Ų146132 Ų13268%0.68270%0.704SS**  trans-116.1139.8-166.9174157.4-144.300111.2
317R36.4Very low38.3Very low209 Ų209128.9 Ų128.979%0.78971%0.705SS**  trans17.3170.7143.8-69.9-179.6-178.9128.7-7.9121.7
318P42.7Very low38.1Very low113 Ų113122.9 Ų122.973%0.73470%0.696SS**  cis-139.8-150.4-30.237.5-16.7000111.6
319A38.5Very low38.1Very low98 Ų98123.2 Ų123.281%0.8170%0.7SS**  trans92.1154.5152.900000118
320G39.4Very low38.8Very low65 Ų65127.1 Ų127.167%0.6771%0.708SS**  trans81.7112.6-156.900000109.4
321D38.5Very low38.7Very low170 Ų170124.6 Ų124.691%0.90971%0.705SS**  cis59.464.439.3-158.234.8000113
322V54.2Low39Very low103 Ų103126.5 Ų126.562%0.62472%0.715SS**  trans-136.2117.5162.9-179.20000107.4W324V322-W324 HydrophobicContact CG1-CZ2 3.94Å
323D40.8Very low38.9Very low59 Ų59123.6 Ų123.632%0.31672%0.722SS.*  trans-67.6148.1169.1177.558.5000111.5G120 V121 A122 D325G120-D323 VanDerWaalsContact CA-OD1 3.24Å; G120-D323 WeakPolarHBondContact CA-OD1 3.29Å; V121-D323 WeakPolarHBondContact CA-OD1 3.35Å; V121-D323 WeakPolarHBondContact CA-OD2 3.41Å; V121-D323 PolarHBondContact N-OD2 3.14Å; A122-D323 PolarHBondContact N-OD2 3.36Å; A122-D323 VanDerWaalsContact N-OD2 3.1Å; D323-D325 PolarHBondContact OD2-N 3.27Å; D323-D325 VanDerWaalsContact OD2-N 3.12Å
324W44.4Very low39.1Very low184 Ų184120.4 Ų120.470%0.69772%0.721SS**  trans-138.997.3158.7-62.197000108.8T119 V322T119-W324 VanDerWaalsContact CG2-O 3.24Å; T119-W324 WeakPolarHBondContact CG2-O 3.28Å; V322-W324 HydrophobicContact CG1-CZ2 3.94Å
325D38.4Very low39.5Very low73 Ų73125.5 Ų125.539%0.3973%0.729SS.*  -85.7171.5120.6-143.5-38.8000109.7T119 D323T119-D325 WeakPolarHBondContact CB-OD2 3.12Å; T119-D325 HydrophobicContact CG2-CB 4.13Å; T119-D325 VanDerWaalsContact OG1-CG 3.24Å; T119-D325 PolarHBondContact OG1-OD2 2.85Å; D323-D325 PolarHBondContact OD2-N 3.27Å; D323-D325 VanDerWaalsContact OD2-N 3.12Å
326S37.6Very low39.2Very low82 Ų82124.9 Ų124.957%0.57373%0.725SS**  trans69.9113.6-164.1-41.70000111.4
327G33.9Very low39.7Very low76 Ų76129.1 Ų129.178%0.78474%0.735SS**  cis90.538.87.500000113.5
328T34.5Very low39.8Very low126 Ų126125.2 Ų125.277%0.77373%0.734SS**  trans-117.7112.2170.541.20000111.1
329P35.9Very low39.3Very low121 Ų121129.1 Ų129.179%0.78674%0.74SS**  trans-95.3126.3172.633.9-29000111.4
330Q44.1Very low39.6Very low179 Ų179131 Ų13184%0.83674%0.741SS**  trans-148.1108.8172.6-148.9167.4-49.400107.4
331Q36.5Very low39.6Very low168 Ų168133.8 Ų133.879%0.78575%0.747SS**  54.18879.6-68.6-162.8-92.500113.6
332D41.2Very low39.5Very low148 Ų148134.7 Ų134.779%0.79174%0.743SS**  -160.813999.4-100.9-32.2000109.1
333S36.6Very low39Very low117 Ų117137.4 Ų137.482%0.81875%0.753SS**  73.7114.867.2-163.50000112.5
334G41.5Very low38.9Very low68 Ų68142.4 Ų142.470%0.70178%0.775SS**  trans17152.6-170.500000118.2
335Q43.4Very low39.1Very low201 Ų201138.9 Ų138.994%0.93978%0.775SS**  trans59.2126.9154.3-54.6-176.611.900120.3
336S32.8Very low39.4Very low116 Ų116141.7 Ų141.781%0.81180%0.796SS**  trans-94.1152.4174.651.70000112.7
337R41.6Very low40Very low236 Ų236142.3 Ų142.389%0.89179%0.792SS**  trans-159.6121150.5-116.4173.4-174.1-164.10.5115.8
338T39.5Very low41.7Very low127 Ų127142.2 Ų142.278%0.77978%0.779SS**  trans74.5139.7147.6-46.30000119.8
339F32.6Very low43.5Very low195 Ų195139.9 Ų139.986%0.85577%0.773SS**  trans-104.1150.3-176.5-63.5-104.8000112.5
340V44.3Very low45.6Very low136 Ų136143.6 Ų143.682%0.82477%0.771SS**  trans-137.8118.6151-179.60000108.6
341P38.8Very low47.4Very low124 Ų124138.8 Ų138.881%0.80575%0.749SS**  trans-84131.9-179.832.3-32.7000111.5
342K37.4Very low49.7Very low190 Ų190134.3 Ų134.383%0.82673%0.727SS**  trans-140.193.1177-162.9169-174.71750113.3
343L43.4Very low51.8Low159 Ų159133 Ų13383%0.83272%0.716SS**  trans48.6107154.7-65.1164.3000117.8
344E38.4Very low54.3Low165 Ų165129.9 Ų129.977%0.77170%0.698SS**  trans-64.7132.1162.4-171.4-169.4-121.300110.4T346E344-T346 PolarHBondContact O-N 3Å; E344-T346 VanDerWaalsContact O-N 3.14Å
345P48.1Very low56.4Low109 Ų109130.3 Ų130.371%0.70868%0.681SS**  trans-68.8108.5173-18.232000111.1L347P345-L347 PolarHBondContact O-N 3.39Å
346T45.7Very low58.4Low133 Ų133124.2 Ų124.282%0.81665%0.654SS**  trans-52.9112.5-178.2-46.40000111.5E344 S348E344-T346 PolarHBondContact O-N 3Å; E344-T346 VanDerWaalsContact O-N 3.14Å; T346-S348 PolarHBondContact O-N 3.46Å; T346-S348 VanDerWaalsContact O-N 3.1Å
347L50.9Low61Low94 Ų94124 Ų12449%0.49264%0.644SS.*  trans-60.1116.9-178.5-65.1176.8000110.2P345P345-L347 PolarHBondContact O-N 3.39Å
348S68.5Low63.1Low75 Ų75117.7 Ų117.752%0.52463%0.627SS.*  trans-54.5147.4-175.272.10000112.3T346 R350 H351T346-S348 PolarHBondContact O-N 3.46Å; T346-S348 VanDerWaalsContact O-N 3.1Å; S348-R350 PolarHBondContact O-N 2.89Å; S348-H351 VanDerWaalsContact O-CB 3.3Å; S348-H351 WeakPolarHBondContact O-CB 3.32Å; S348-H351 PolarHBondContact O-N 3.03Å
349A73Confident65.1Low77 Ų77119.8 Ų119.864%0.63662%0.621SS**Hα-helixtrans-50.6-34.2179.900000113.2H351 E352 E353A349-H351 PolarHBondContact O-N 3.46Å; A349-E352 PolarHBondContact O-N 3.07Å; A349-E352 VanDerWaalsContact O-N 3.12Å; A349-E353 WeakPolarHBondContact O-CG 3.5Å; A349-E353 PolarHBondContact O-N 2.86Å
350R79.5Confident67.4Low199 Ų199119.1 Ų119.175%0.75161%0.612SS**Hα-helixtrans-60.4-28.3176.4-146.4-179.2-166.5-163.72.5113.8S348 A354S348-R350 PolarHBondContact O-N 2.89Å; R350-A354 WeakPolarHBondContact O-CB 3.18Å; R350-A354 PolarHBondContact O-N 2.91Å
351H82.3Confident68.9Low78 Ų78115.3 Ų115.336%0.36160%0.595SS.*Hα-helixtrans-77.1-37.2175.4178.892.5000111.8S348 A349 A354 K355S348-H351 VanDerWaalsContact O-CB 3.3Å; S348-H351 WeakPolarHBondContact O-CB 3.32Å; S348-H351 PolarHBondContact O-N 3.03Å; A349-H351 PolarHBondContact O-N 3.46Å; H351-A354 PolarHBondContact O-N 2.86Å; H351-K355 PolarHBondContact CD2-NZ 2.88Å; H351-K355 VanDerWaalsContact CD2-NZ 3.31Å; H351-K355 WeakPolarHBondContact NE2-CE 3.49Å; H351-K355 PolarHBondContact NE2-NZ 2.83Å; H351-K355 PolarHBondContact O-N 3.37Å
352E83.7Confident70.7Confident73 Ų73117.7 Ų117.734%0.34159%0.588SS.*Hα-helixtrans-73.7-33.5171.3-73.6-55.4140.500112.3A349 A354 K355 N356A349-E352 PolarHBondContact O-N 3.07Å; A349-E352 VanDerWaalsContact O-N 3.12Å; E352-A354 VanDerWaalsContact C-N 3.34Å; E352-K355 VanDerWaalsContact CD-CD 3.43Å; E352-K355 PolarHBondContact O-N 2.84Å; E352-K355 WeakPolarHBondContact OE1-CD 3.34Å; E352-K355 WeakPolarHBondContact OE1-CE 3.48Å; E352-K355 IonicContact OE1-NZ 3.97Å; E352-K355 PolarHBondContact OE1-NZ 3.13Å; E352-K355 WeakPolarHBondContact OE2-CD 3.42Å; E352-N356 VanDerWaalsContact O-CB 3.3Å; E352-N356 WeakPolarHBondContact O-CB 3.47Å; E352-N356 PolarHBondContact O-N 3.43Å; E352-N356 PolarHBondContact O-ND2 2.95Å
353E86.3Confident72.3Confident120 Ų120115.4 Ų115.456%0.56158%0.582SS**Hα-helixtrans-57.9-46.2166.1-73.4177.1164.200111.1A349 N356 L357A349-E353 WeakPolarHBondContact O-CG 3.5Å; A349-E353 PolarHBondContact O-N 2.86Å; E353-N356 PolarHBondContact O-N 3.23Å; E353-L357 WeakPolarHBondContact O-CB 3.31Å; E353-L357 WeakPolarHBondContact O-CG 3.26Å; E353-L357 PolarHBondContact O-N 2.9Å
354A88.4Confident73.5Confident53 Ų53116.2 Ų116.244%0.43858%0.579SS.*Hα-helixtrans-63.7-43.4176.600000112.6R350 H351 E352 N356 L357 L358R350-A354 WeakPolarHBondContact O-CB 3.18Å; R350-A354 PolarHBondContact O-N 2.91Å; H351-A354 PolarHBondContact O-N 2.86Å; E352-A354 VanDerWaalsContact C-N 3.34Å; A354-N356 VanDerWaalsContact C-N 3.33Å; A354-N356 PolarHBondContact O-N 2.85Å; A354-L357 PolarHBondContact O-N 3.03Å; A354-L358 WeakPolarHBondContact O-CB 3.28Å; A354-L358 PolarHBondContact O-N 3.49Å
355K85.8Confident74.4Confident77 Ų77112.2 Ų112.234%0.33557%0.574SS.*Hα-helixtrans-60.2-40.4172.2-83.5163.6161.5161.70112.1H351 E352 L358 R359H351-K355 PolarHBondContact CD2-NZ 2.88Å; H351-K355 VanDerWaalsContact CD2-NZ 3.31Å; H351-K355 WeakPolarHBondContact NE2-CE 3.49Å; H351-K355 PolarHBondContact NE2-NZ 2.83Å; H351-K355 PolarHBondContact O-N 3.37Å; E352-K355 VanDerWaalsContact CD-CD 3.43Å; E352-K355 PolarHBondContact O-N 2.84Å; E352-K355 WeakPolarHBondContact OE1-CD 3.34Å; E352-K355 WeakPolarHBondContact OE1-CE 3.48Å; E352-K355 IonicContact OE1-NZ 3.97Å; E352-K355 PolarHBondContact OE1-NZ 3.13Å; E352-K355 WeakPolarHBondContact OE2-CD 3.42Å; K355-L358 PolarHBondContact O-N 3.21Å; K355-R359 WeakPolarHBondContact O-CB 3.23Å; K355-R359 WeakPolarHBondContact O-CG 3.46Å; K355-R359 PolarHBondContact O-N 3.08Å
356N85.9Confident74.9Confident72 Ų72115.7 Ų115.739%0.38558%0.578SS.*Hα-helixtrans-73-35.9178.6-77.1-55.5000112.5E352 E353 A354 R359 R360E352-N356 VanDerWaalsContact O-CB 3.3Å; E352-N356 WeakPolarHBondContact O-CB 3.47Å; E352-N356 PolarHBondContact O-N 3.43Å; E352-N356 PolarHBondContact O-ND2 2.95Å; E353-N356 PolarHBondContact O-N 3.23Å; A354-N356 VanDerWaalsContact C-N 3.33Å; A354-N356 PolarHBondContact O-N 2.85Å; N356-R359 PolarHBondContact O-N 2.82Å; N356-R360 WeakPolarHBondContact O-CB 3.24Å; N356-R360 VanDerWaalsContact O-CG 3.31Å; N356-R360 WeakPolarHBondContact O-CG 3.23Å; N356-R360 PolarHBondContact O-N 3.43Å
357L87.9Confident74.9Confident112 Ų112114 Ų11459%0.58657%0.568SS**Hα-helixtrans-61.7-45.8167.9-83.4162000111.2E353 A354 R360 A361E353-L357 WeakPolarHBondContact O-CB 3.31Å; E353-L357 WeakPolarHBondContact O-CG 3.26Å; E353-L357 PolarHBondContact O-N 2.9Å; A354-L357 PolarHBondContact O-N 3.03Å; L357-R360 PolarHBondContact O-N 2.97Å; L357-A361 WeakPolarHBondContact O-CB 3.39Å; L357-A361 PolarHBondContact O-N 2.87Å
358L85.1Confident74.6Confident103 Ų103116.9 Ų116.954%0.53958%0.579SS.*Hα-helixtrans-68.1-35.2178.5-160.472.3000112.2A354 K355 R362A354-L358 WeakPolarHBondContact O-CB 3.28Å; A354-L358 PolarHBondContact O-N 3.49Å; K355-L358 PolarHBondContact O-N 3.21Å; L358-R362 VanDerWaalsContact O-CB 3.31Å; L358-R362 WeakPolarHBondContact O-CB 3.43Å; L358-R362 WeakPolarHBondContact O-CG 3.22Å; L358-R362 PolarHBondContact O-N 2.81Å
359R80.4Confident73.6Confident171 Ų171118.6 Ų118.665%0.64559%0.588SS**Hα-helixtrans-63.5-47.4168.9-83.3178.1165.2167.5-4.5111.3K355 N356 A361 R362 M363K355-R359 WeakPolarHBondContact O-CB 3.23Å; K355-R359 WeakPolarHBondContact O-CG 3.46Å; K355-R359 PolarHBondContact O-N 3.08Å; N356-R359 PolarHBondContact O-N 2.82Å; R359-A361 PolarHBondContact O-N 2.86Å; R359-R362 PolarHBondContact O-N 3.07Å; R359-M363 WeakPolarHBondContact O-CB 3.33Å; R359-M363 WeakPolarHBondContact O-CG 3.48Å; R359-M363 PolarHBondContact O-N 3.34Å
360R81.9Confident72.3Confident181 Ų181123 Ų12368%0.68360%0.6SS**Hα-helixtrans-60.9-42.1175.5-75.3175.8-175.31713.5112.3N356 L357 M363 K364N356-R360 WeakPolarHBondContact O-CB 3.24Å; N356-R360 VanDerWaalsContact O-CG 3.31Å; N356-R360 WeakPolarHBondContact O-CG 3.23Å; N356-R360 PolarHBondContact O-N 3.43Å; L357-R360 PolarHBondContact O-N 2.97Å; R360-M363 WeakPolarHBondContact O-CB 3.49Å; R360-M363 PolarHBondContact O-N 2.72Å; R360-K364 PolarHBondContact O-N 3.48Å
361A74.7Confident70.6Confident56 Ų56125 Ų12546%0.46361%0.608SS.*Hα-helixtrans-63.8-46.6175.600000111.4L357 R359 M363 K364 A365L357-A361 WeakPolarHBondContact O-CB 3.39Å; L357-A361 PolarHBondContact O-N 2.87Å; R359-A361 PolarHBondContact O-N 2.86Å; A361-M363 VanDerWaalsContact C-N 3.31Å; A361-M363 PolarHBondContact O-N 2.98Å; A361-K364 PolarHBondContact O-N 2.85Å; A361-A365 WeakPolarHBondContact O-CB 3.34Å; A361-A365 PolarHBondContact O-N 3.4Å
362R77.4Confident68.7Low175 Ų175124.6 Ų124.666%0.6662%0.618SS**Hα-helixtrans-64.8-30.9174.6-76.2179.3169.8-168.8-3.3113.2L358 R359 K366L358-R362 VanDerWaalsContact O-CB 3.31Å; L358-R362 WeakPolarHBondContact O-CB 3.43Å; L358-R362 WeakPolarHBondContact O-CG 3.22Å; L358-R362 PolarHBondContact O-N 2.81Å; R359-R362 PolarHBondContact O-N 3.07Å; R362-K366 VanDerWaalsContact O-CB 3.27Å; R362-K366 WeakPolarHBondContact O-CB 3.49Å; R362-K366 WeakPolarHBondContact O-CG 3.48Å; R362-K366 PolarHBondContact O-N 3.49Å
363M70.1Confident66.6Low141 Ų141125.1 Ų125.170%0.69563%0.63SS**Hα-helixtrans-65.5-50.3171-69-91.6-75.800110.6R359 R360 A361 A365 K366 T367R359-M363 WeakPolarHBondContact O-CB 3.33Å; R359-M363 WeakPolarHBondContact O-CG 3.48Å; R359-M363 PolarHBondContact O-N 3.34Å; R360-M363 WeakPolarHBondContact O-CB 3.49Å; R360-M363 PolarHBondContact O-N 2.72Å; A361-M363 VanDerWaalsContact C-N 3.31Å; A361-M363 PolarHBondContact O-N 2.98Å; M363-A365 VanDerWaalsContact C-N 3.27Å; M363-A365 PolarHBondContact O-N 2.85Å; M363-K366 PolarHBondContact O-N 2.81Å; M363-K366 VanDerWaalsContact O-N 3.11Å; M363-T367 PolarHBondContact O-N 2.8Å; M363-T367 PolarHBondContact O-OG1 3.5Å
364K68.8Low64.7Low176 Ų176127.7 Ų127.777%0.76564%0.642SS**Hα-helixtrans-64.2-26.2176.6-73.8-163.7172.7-164.80114.2R360 A361 T367R360-K364 PolarHBondContact O-N 3.48Å; A361-K364 PolarHBondContact O-N 2.85Å; K364-T367 WeakPolarHBondContact CA-OG1 3.19Å; K364-T367 PolarHBondContact O-OG1 2.83Å
365A59Low62.5Low82 Ų82132.6 Ų132.668%0.67866%0.66SS**Hα-helixtrans-85.6-21.1173.500000113.5A361 M363A361-A365 WeakPolarHBondContact O-CB 3.34Å; A361-A365 PolarHBondContact O-N 3.4Å; M363-A365 VanDerWaalsContact C-N 3.27Å; M363-A365 PolarHBondContact O-N 2.85Å
366K57.8Low60.4Low182 Ų182135.1 Ų135.179%0.79168%0.676SS**Hα-helixtrans-88.4-19.2174.6-81.2-168.2169.7-162.70113.7R362 M363 Q368R362-K366 VanDerWaalsContact O-CB 3.27Å; R362-K366 WeakPolarHBondContact O-CB 3.49Å; R362-K366 WeakPolarHBondContact O-CG 3.48Å; R362-K366 PolarHBondContact O-N 3.49Å; M363-K366 PolarHBondContact O-N 2.81Å; M363-K366 VanDerWaalsContact O-N 3.11Å; K366-Q368 PolarHBondContact O-N 2.87Å
367T46.6Very low58.7Low97 Ų97137.5 Ų137.560%0.59569%0.693SS**SBendtrans-6784154.1450000108.7M363 K364 P369M363-T367 PolarHBondContact O-N 2.8Å; M363-T367 PolarHBondContact O-OG1 3.5Å; K364-T367 WeakPolarHBondContact CA-OG1 3.19Å; K364-T367 PolarHBondContact O-OG1 2.83Å; T367-P369 WeakPolarHBondContact O-CD 3.27Å
368Q43.6Very low56.7Low154 Ų154136.9 Ų136.972%0.7270%0.696SS**  trans-43.1120.3156.4-82.4-9712.600107.4K366 L370K366-Q368 PolarHBondContact O-N 2.87Å; Q368-L370 PolarHBondContact O-N 3.41Å
369P48.4Very low54.4Low112 Ų112138 Ų13873%0.72771%0.707SS**  trans-63.4112.9166.527.3-30.7000105.8T367 R371T367-P369 WeakPolarHBondContact O-CD 3.27Å; P369-R371 PolarHBondContact O-N 3.05Å
370L44.4Very low52.6Low168 Ų168136.8 Ų136.888%0.8871%0.712SS**  trans-59.4102.8175.6-69.5173.5000107Q368 A372Q368-L370 PolarHBondContact O-N 3.41Å; L370-A372 PolarHBondContact O-N 3.34Å
371R44.4Very low50.6Low241 Ų241132.1 Ų132.191%0.90971%0.712SS**  trans-50.7129.5168.9-95.5-172.5165.1-166.2-3.9106.6P369 S373P369-R371 PolarHBondContact O-N 3.05Å; R371-S373 PolarHBondContact O-N 3.06Å
372A41.3Very low49Very low71 Ų71138 Ų13859%0.58773%0.73SS**  trans-58.5101.5-173.600000110.5L370 H374L370-A372 PolarHBondContact O-N 3.34Å; A372-H374 PolarHBondContact O-CD2 3.34Å; A372-H374 PolarHBondContact O-N 3.06Å; A372-H374 PolarHBondContact O-NE2 2.72Å
373S40.8Very low46.8Very low84 Ų84133 Ų13359%0.58773%0.733SS**  trans-69.1108.7156.651.40000105.8R371 D375R371-S373 PolarHBondContact O-N 3.06Å; S373-D375 PolarHBondContact O-N 3.48Å
374H45.2Very low45.3Very low174 Ų174132.8 Ų132.881%0.80674%0.743SS**SBendtrans-71.52.4-171.5-69.3-84.9000113.9A372 I376A372-H374 PolarHBondContact O-CD2 3.34Å; A372-H374 PolarHBondContact O-N 3.06Å; A372-H374 PolarHBondContact O-NE2 2.72Å; H374-I376 PolarHBondContact O-N 2.91Å; H374-I376 VanDerWaalsContact O-N 3.08Å
375D42.7Very low43.9Very low155 Ų155134.8 Ų134.883%0.82975%0.746SS**  trans-80.847.3174.8-59.2-48.3000113.9S373S373-D375 PolarHBondContact O-N 3.48Å
376I41.5Very low42.9Very low130 Ų130138.1 Ų138.167%0.66775%0.753SS**  trans-134.687.6167-50.6-179.8000109.4H374 P378H374-I376 PolarHBondContact O-N 2.91Å; H374-I376 VanDerWaalsContact O-N 3.08Å; I376-P378 WeakPolarHBondContact O-CD 3.17Å
377V50.1Low41.9Very low122 Ų122133.3 Ų133.374%0.73975%0.754SS**  trans-74.2118.8159.5176.30000107.7T379V377-T379 PolarHBondContact O-N 3.2Å
378P46.1Very low41.3Very low99 Ų99137.4 Ų137.464%0.64377%0.767SS**  trans-73.3108.1163.4-0.318.4000106.6I376 I380I376-P378 WeakPolarHBondContact O-CD 3.17Å; P378-I380 VanDerWaalsContact C-N 3.34Å; P378-I380 PolarHBondContact O-N 3.17Å
379T38Very low41Very low127 Ų127141.1 Ų141.178%0.77977%0.774SS**  trans-64.497172.6-570000108.7V377 A381V377-T379 PolarHBondContact O-N 3.2Å; T379-A381 PolarHBondContact O-N 3.39Å
380I41.7Very low40.3Very low146 Ų146140.8 Ų140.875%0.74978%0.775SS**  trans-72.681175-51.2-179.8000107.7P378 Q382P378-I380 VanDerWaalsContact C-N 3.34Å; P378-I380 PolarHBondContact O-N 3.17Å; I380-Q382 PolarHBondContact O-N 2.98Å
381A39.3Very low40.1Very low83 Ų83138.4 Ų138.469%0.68677%0.769SS**  trans-59.7109.816700000108T379 G383T379-A381 PolarHBondContact O-N 3.39Å; A381-G383 PolarHBondContact O-N 2.92Å
382Q41Very low39.6Very low180 Ų180131 Ų13184%0.84176%0.76SS**  trans-61.3111.8176.9-72.9-179.1-56.100108.7I380 C384I380-Q382 PolarHBondContact O-N 2.98Å; Q382-C384 PolarHBondContact O-N 2.89Å
383G32.8Very low39.6Very low70 Ų70133.3 Ų133.372%0.72277%0.769SS**  trans-72.897.3-172.500000112.3A381 R385A381-G383 PolarHBondContact O-N 2.92Å; G383-R385 PolarHBondContact O-N 2.82Å
384C37.4Very low39.2Very low135 Ų135135.8 Ų135.891%0.91277%0.771SS**  trans-58.4106.7165.9-65.50000109.7Q382Q382-C384 PolarHBondContact O-N 2.89Å
385R40.7Very low38.6Very low219 Ų219134 Ų13483%0.82677%0.767SS**  trans-83.2132.4177.9-84.7-174.9166.1-128.50.1111.6G383G383-R385 PolarHBondContact O-N 2.82Å
386N37.8Very low38Very low152 Ų152135.8 Ų135.881%0.81376%0.762SS**  trans62.9120.7154.2-58.32.3000118
387G35.9Very low37.6Very low80 Ų80135.1 Ų135.183%0.82576%0.764SS**  trans-179.654.9175.600000115.7
388Q35.1Very low36.7Very low184 Ų184135.1 Ų135.186%0.8676%0.764SS**  trans16.9112.6158.4-86.2-86.1-1700119.1
389R35.6Very low36Very low231 Ų231135.4 Ų135.487%0.87277%0.769SS**  148.7110.9111.2-167.1170.3-1651774.9114.2
390S33.9Very low35.7Very low105 Ų105133.8 Ų133.873%0.73477%0.768SS**  trans-88.5-172.9167.2-210000110.8
391P41.5Very low35.3Very low119 Ų119136.9 Ų136.977%0.77377%0.772SS**  cis-138.7-163.4-14.131.9-8.3000114
392A32.4Very low35.1Very low86 Ų86140.2 Ų140.271%0.71177%0.767SS**  trans92.9167.4142.200000118.4
393P42.7Very low34.9Very low118 Ų118137 Ų13777%0.76675%0.752SS**  -144.1-139.4-106.241.4-16.7000114.2
394E31.6Very low35.1Very low137 Ų137140.2 Ų140.264%0.6475%0.753SS**  trans84.1124.5173.7-60.6-136.592.600115.5
395L32.7Very low35Very low136 Ų136140 Ų14071%0.71274%0.741SS**  71.9129.362-71.5165.8000110.8
396R30.9Very low35.1Very low192 Ų192138.9 Ų138.973%0.72575%0.746SS**  cis-150.2174.133.5-83.8-156.8170.68113.4115.8
397T32.4Very low34.9Very low117 Ų117139.8 Ų139.872%0.71875%0.75SS**  trans-9.5153.9145.2-0.70000117.6
398T30.6Very low34.8Very low122 Ų122139.4 Ų139.475%0.74875%0.747SS**  cis-150.8-168.521.2-23.20000107.8
399S32.4Very low34.9Very low105 Ų105137.6 Ų137.673%0.73474%0.743SS**  cis-160.51422.916.40000107.2
400A31.6Very low35Very low93 Ų93133 Ų13377%0.76974%0.735SS**  8085.161.700000116.1
401Y33.5Very low35.2Very low211 Ų211134.9 Ų134.983%0.82774%0.737SS**  trans-171.3140.9149.9-150.1-99.1000108.9
402R34.6Very low34.9Very low152 Ų152135.5 Ų135.557%0.57473%0.734SS**  cis-161.2165.4-23.8173.5-179.1-89.9-97.78.1107.3
403E35.8Very low35.2Very low112 Ų112137.1 Ų137.152%0.52374%0.737SS.*  trans-15.6144.9163.4-54.8117-144.800117L405E403-L405 HydrophobicContact CB-CD1 4.36Å; E403-L405 HydrophobicContact CG-CD1 4.34Å
404N37.9Very low34.6Very low139 Ų139136 Ų13674%0.74373%0.732SS**  -154.4129.559.5-84-95.6000110.4
405L35.7Very low34.7Very low129 Ų129134.7 Ų134.768%0.67574%0.738SS**  76.298.267.3-75.3175.3000114.6E403E403-L405 HydrophobicContact CB-CD1 4.36Å; E403-L405 HydrophobicContact CG-CD1 4.34Å
406Q43Very low35.4Very low197 Ų197136 Ų13692%0.92174%0.744SS**  -160107.5129.5-108.5161.73100110.6
407N32.5Very low35.6Very low170 Ų170135.4 Ų135.491%0.90975%0.749SS**  trans-110.5141.8170.1-81-21.8000109
408G35.3Very low35.6Very low73 Ų73135.7 Ų135.775%0.75376%0.756SS**  trans165.2105.2174.900000108.2
409N35.5Very low35.8Very low146 Ų146134.2 Ų134.278%0.78175%0.751SS**  cis75.6146.248.3-16324.6000112.8
410L38.6Very low36Very low133 Ų133136.8 Ų136.870%0.69676%0.756SS**  trans73.8127.1177.6-47.4-180000113.2
411N37.1Very low36.3Very low146 Ų146135.9 Ų135.978%0.78176%0.756SS**  cis-150.1167.313.3-74.2-60.3000113.4
412D36Very low36.5Very low131 Ų131132.1 Ų132.170%0.70175%0.746SS**  trans-69.3163.9154.9-157.78.5000110S414D412-S414 PolarHBondContact OD1-N 3.45Å
413P37.8Very low36.7Very low121 Ų121135.2 Ų135.279%0.78676%0.758SS**  -145.4153.185.337.8-20.7000116.6
414S31.7Very low36.8Very low94 Ų94133.2 Ų133.266%0.65776%0.755SS**  trans-70.5171.6173.558.10000116.1D412D412-S414 PolarHBondContact OD1-N 3.45Å
415S33.9Very low37.1Very low109 Ų109135.9 Ų135.976%0.76276%0.76SS**  trans81.9117.1153.5-156.30000118.8
416I45.7Very low37.1Very low164 Ų164137 Ų13784%0.84176%0.761SS**  -158.2155.590.3-155.4163000111.6
417E35.6Very low37Very low179 Ų179136.6 Ų136.684%0.83676%0.76SS**  trans-92.1170.6172.8-73.1174.97600112.7
418S33.5Very low37.3Very low123 Ų123136.5 Ų136.586%0.8676%0.756SS**  trans102.3146.2153.3-156.60000120
419S33.5Very low37.3Very low91 Ų91138.4 Ų138.464%0.63676%0.755SS**  trans82.691.3162.4-1470000120.8
420N37Very low37.7Very low159 Ų159139.6 Ų139.685%0.8576%0.76SS**  trans60.696.9131.7-56.4-33.5000120.3
421G37.5Very low37.6Very low75 Ų75138.4 Ų138.477%0.77376%0.763SS**  trans-112.6-162.9177.400000116.6
422Q38.8Very low38Very low131 Ų131139.5 Ų139.561%0.61276%0.763SS**  trans-160.9150.9166.8-110.1172-6.200111.4
423W37.4Very low39Very low218 Ų218138.4 Ų138.483%0.82676%0.761SS**  trans-120.5140.1-161-62.879.8000116.7V832W423-V832 WeakPolarHBondContact O-CG1 3.02Å
424P39.8Very low39.5Very low69 Ų69142.5 Ų142.545%0.44876%0.761SS.*  trans-85.9141.4140.637.5-30.7000109.1T831P424-T831 VanDerWaalsContact CD-O 3.27Å; P424-T831 WeakPolarHBondContact CD-O 3.3Å; P424-T831 WeakPolarHBondContact CG-O 3.22Å
425K43.7Very low40.4Very low195 Ų195147 Ų14785%0.84877%0.769SS**  cis58.8120.724.9-71.1-176.3177.6178.10113.8
426Q36.1Very low42.1Very low152 Ų152150 Ų15071%0.7177%0.771SS**  cis-152.4103.325.3-179.6176.5-4.600112.7
427E39.7Very low43.1Very low189 Ų189147.9 Ų147.988%0.88376%0.761SS**  trans-68.9138.9154.1-67.7-173.9135.200108.8P429E427-P429 VanDerWaalsContact O-CD 3.25Å; E427-P429 WeakPolarHBondContact O-CD 3.5Å
428M39.7Very low45.1Very low169 Ų169144.7 Ų144.783%0.83375%0.746SS**  trans-81.2110.9176.9-75.5163.854.100109.7L430M428-L430 PolarHBondContact O-N 3.07Å
429P34.2Very low47.3Very low112 Ų112142 Ų14273%0.72773%0.728SS**  trans-68.3134.6175.629.7-33.9000109.4E427 S431E427-P429 VanDerWaalsContact O-CD 3.25Å; E427-P429 WeakPolarHBondContact O-CD 3.5Å; P429-S431 PolarHBondContact O-N 2.99Å
430L43.5Very low49.6Very low172 Ų172141.1 Ų141.190%0.90173%0.725SS**  trans-49124.5171.7-70.7167.2000109.4M428 H432M428-L430 PolarHBondContact O-N 3.07Å; L430-H432 PolarHBondContact O-N 3.19Å
431S37.8Very low51.9Low108 Ų108139.9 Ų139.976%0.75571%0.714SS**  trans-59.4112.2-176.840.20000109.8P429 V433P429-S431 PolarHBondContact O-N 2.99Å; S431-V433 PolarHBondContact O-N 3.45Å
432H44.6Very low54.3Low169 Ų169139.5 Ų139.578%0.78269%0.692SS**  trans-59.8101.9173.9-175.1126.3000107.5L430 R434L430-H432 PolarHBondContact O-N 3.19Å; H432-R434 PolarHBondContact O-N 3.06Å
433V57.1Low56.7Low108 Ų108135.1 Ų135.166%0.65568%0.678SS**  trans-60.4100.7177.7177.60000107.6S431S431-V433 PolarHBondContact O-N 3.45Å
434R49.3Very low59.2Low207 Ų207130.6 Ų130.678%0.78167%0.667SS**  trans-70128.9160.6-76.3-169.1148.2141.4-1.5106.3H432 E436H432-R434 PolarHBondContact O-N 3.06Å; R434-E436 PolarHBondContact O-N 2.83Å
435F51Low61.5Low188 Ų188131.1 Ų131.183%0.82566%0.662SS**  trans-69.186.5160.3-57.9-88.6000105.9
436E69.5Low63.6Low173 Ų173127.3 Ų127.381%0.80864%0.642SS**  trans-64134.5160.8-65.7-175.814400106.8R434 E438R434-E436 PolarHBondContact O-N 2.83Å; E436-E438 PolarHBondContact O-N 3.07Å
437D66.4Low66.2Low119 Ų119126.1 Ų126.164%0.63663%0.632SS**  trans-61.6108.2-177.7-79.2-60000109.4S439 L1029D437-S439 PolarHBondContact O-N 3.08Å; D437-L1029 WeakPolarHBondContact OD1-CD1 3.44Å; D437-L1029 WeakPolarHBondContact OD1-CG 3.25Å
438E77.4Confident68.7Low112 Ų112122 Ų12252%0.52362%0.616SS.*  trans-52.9113.5173.6-173179.7169.300108E436 E442 A443 R446E436-E438 PolarHBondContact O-N 3.07Å; E438-E442 HydrophobicContact CG-CB 3.95Å; E438-E442 HydrophobicContact CG-CG 3.59Å; E438-A443 HydrophobicContact CG-CB 4.24Å; E438-A443 WeakPolarHBondContact OE1-CA 3.33Å; E438-R446 WeakPolarHBondContact OE1-CG 3.39Å
439S80.2Confident71.2Confident67 Ų67114.9 Ų114.947%0.46958%0.581SS.*  trans-58.3147-173.876.90000110.2D437 H441 E442 A443D437-S439 PolarHBondContact O-N 3.08Å; S439-H441 PolarHBondContact O-N 2.73Å; S439-H441 VanDerWaalsContact O-N 3.07Å; S439-E442 WeakPolarHBondContact O-CA 3.26Å; S439-E442 WeakPolarHBondContact O-CB 3.36Å; S439-E442 PolarHBondContact O-N 3.27Å; S439-E442 PolarHBondContact OG-N 3.15Å; S439-A443 PolarHBondContact O-N 2.91Å
440A81.9Confident73.9Confident71 Ų71115.5 Ų115.559%0.58757%0.569SS**Hα-helixtrans-53-37.1-178.600000112.1A443 E444A440-A443 PolarHBondContact O-N 3.03Å; A440-E444 VanDerWaalsContact O-CB 3.28Å; A440-E444 WeakPolarHBondContact O-CB 3.38Å; A440-E444 VanDerWaalsContact O-CG 3.23Å; A440-E444 WeakPolarHBondContact O-CG 3.38Å; A440-E444 PolarHBondContact O-N 3.37Å
441H85.3Confident76.1Confident134 Ų134110.3 Ų110.362%0.6254%0.541SS*.Hα-helixtrans-62.7-44.9173.5-179.7-82000113.5S439 E444 F445S439-H441 PolarHBondContact O-N 2.73Å; S439-H441 VanDerWaalsContact O-N 3.07Å; H441-E444 PolarHBondContact O-N 3.2Å; H441-F445 WeakPolarHBondContact O-CB 3.46Å; H441-F445 PolarHBondContact O-N 3.36Å
442E87.8Confident78.5Confident67 Ų67109.6 Ų109.631%0.31353%0.526SS..Hα-helixtrans-62.9-46.8175.1176.568.8-164.900110.2E438 S439 E444 F445 R446E438-E442 HydrophobicContact CG-CB 3.95Å; E438-E442 HydrophobicContact CG-CG 3.59Å; S439-E442 WeakPolarHBondContact O-CA 3.26Å; S439-E442 WeakPolarHBondContact O-CB 3.36Å; S439-E442 PolarHBondContact O-N 3.27Å; S439-E442 PolarHBondContact OG-N 3.15Å; E442-E444 VanDerWaalsContact C-N 3.33Å; E442-E444 PolarHBondContact O-N 2.82Å; E442-F445 WeakPolarHBondContact O-CB 3.4Å; E442-F445 PolarHBondContact O-N 3.3Å; E442-F445 VanDerWaalsContact O-N 3.13Å; E442-R446 WeakPolarHBondContact O-CB 3.34Å; E442-R446 WeakPolarHBondContact O-CG 3.39Å; E442-R446 PolarHBondContact O-N 3.46Å; E442-R446 IonicContact OE1-CZ 2.67Å; E442-R446 IonicContact OE1-NE 3.27Å; E442-R446 PolarHBondContact OE1-NE 3.39Å; E442-R446 IonicContact OE1-NH2 2.96Å; E442-R446 PolarHBondContact OE1-NH2 2.79Å
443A87.7Confident80.4Confident38 Ų38105.3 Ų105.331%0.31451%0.507SS..Hα-helixtrans-63.5-36.5178.900000113E438 S439 A440 Y447E438-A443 HydrophobicContact CG-CB 4.24Å; E438-A443 WeakPolarHBondContact OE1-CA 3.33Å; S439-A443 PolarHBondContact O-N 2.91Å; A440-A443 PolarHBondContact O-N 3.03Å; A443-Y447 WeakPolarHBondContact O-CB 3.44Å; A443-Y447 PolarHBondContact O-N 3.28Å
444E90.1Very high81.7Confident124 Ų124106.8 Ų106.858%0.57950%0.501SS*.Hα-helixtrans-66.9-44.4171-78.5171.1-158.300111.5A440 H441 E442 R446 Y447 L448A440-E444 VanDerWaalsContact O-CB 3.28Å; A440-E444 WeakPolarHBondContact O-CB 3.38Å; A440-E444 VanDerWaalsContact O-CG 3.23Å; A440-E444 WeakPolarHBondContact O-CG 3.38Å; A440-E444 PolarHBondContact O-N 3.37Å; H441-E444 PolarHBondContact O-N 3.2Å; E442-E444 VanDerWaalsContact C-N 3.33Å; E442-E444 PolarHBondContact O-N 2.82Å; E444-R446 PolarHBondContact O-N 2.82Å; E444-Y447 CarbonylContact O-C 3.48Å; E444-Y447 WeakPolarHBondContact O-CA 3.43Å; E444-Y447 WeakPolarHBondContact O-CB 3.47Å; E444-Y447 PolarHBondContact O-N 2.85Å; E444-L448 WeakPolarHBondContact O-CG 3.49Å; E444-L448 PolarHBondContact O-N 3.38Å
445F88Confident83.3Confident79 Ų79102.3 Ų102.335%0.34649%0.488SS..Hα-helixtrans-60.4-48.2176.5-163.2-72.7000111.2H441 E442 Y447 L448 D449 Q1202H441-F445 WeakPolarHBondContact O-CB 3.46Å; H441-F445 PolarHBondContact O-N 3.36Å; E442-F445 WeakPolarHBondContact O-CB 3.4Å; E442-F445 PolarHBondContact O-N 3.3Å; E442-F445 VanDerWaalsContact O-N 3.13Å; F445-Y447 PolarHBondContact O-N 2.82Å; F445-L448 PolarHBondContact O-N 3.34Å; F445-L448 VanDerWaalsContact O-N 3.08Å; F445-D449 PolarHBondContact O-N 3.46Å; F445-Q1202 WeakPolarHBondContact CD1-O 3.3Å; F445-Q1202 WeakPolarHBondContact CE1-O 3.26Å; F445-Q1202 WeakPolarHBondContact CE1-OXT 3.24Å; F445-Q1202 WeakPolarHBondContact CZ-OXT 3.32Å
446R88.8Confident84.7Confident116 Ų11698.6 Ų98.644%0.43847%0.469SS..Hα-helixtrans-57.6-31.7172.4-65.8-67.8-175149.78.9112.7E438 E442 E444 R450E438-R446 WeakPolarHBondContact OE1-CG 3.39Å; E442-R446 WeakPolarHBondContact O-CB 3.34Å; E442-R446 WeakPolarHBondContact O-CG 3.39Å; E442-R446 PolarHBondContact O-N 3.46Å; E442-R446 IonicContact OE1-CZ 2.67Å; E442-R446 IonicContact OE1-NE 3.27Å; E442-R446 PolarHBondContact OE1-NE 3.39Å; E442-R446 IonicContact OE1-NH2 2.96Å; E442-R446 PolarHBondContact OE1-NH2 2.79Å; E444-R446 PolarHBondContact O-N 2.82Å; R446-R450 WeakPolarHBondContact O-CB 3.4Å; R446-R450 VanDerWaalsContact O-CG 3.25Å; R446-R450 WeakPolarHBondContact O-CG 3.19Å; R446-R450 PolarHBondContact O-N 3.49Å; R446-R450 PolarHBondContact O-NE 2.83Å; R446-R450 VanDerWaalsContact O-NE 3.15Å; R446-R450 PolarHBondContact O-NH2 2.85Å
447Y90.3Very high85.2Confident126 Ų12696.4 Ų96.449%0.49446%0.459SS..Hα-helixtrans-73.4-42.9174.6174.7-87.7000112A443 E444 F445 R450 L451A443-Y447 WeakPolarHBondContact O-CB 3.44Å; A443-Y447 PolarHBondContact O-N 3.28Å; E444-Y447 CarbonylContact O-C 3.48Å; E444-Y447 WeakPolarHBondContact O-CA 3.43Å; E444-Y447 WeakPolarHBondContact O-CB 3.47Å; E444-Y447 PolarHBondContact O-N 2.85Å; F445-Y447 PolarHBondContact O-N 2.82Å; Y447-R450 PolarHBondContact O-N 2.75Å; Y447-L451 PolarHBondContact O-N 2.84Å
448L93Very high85.7Confident103 Ų10395.2 Ų95.254%0.53946%0.455SS..Hα-helixtrans-65-42.4177.4-69.1173.1000111.8E444 F445 L451 Q452E444-L448 WeakPolarHBondContact O-CG 3.49Å; E444-L448 PolarHBondContact O-N 3.38Å; F445-L448 PolarHBondContact O-N 3.34Å; F445-L448 VanDerWaalsContact O-N 3.08Å; L448-L451 CarbonylContact O-C 3.58Å; L448-L451 WeakPolarHBondContact O-CA 3.38Å; L448-L451 WeakPolarHBondContact O-CB 3.48Å; L448-L451 PolarHBondContact O-N 2.83Å; L448-Q452 PolarHBondContact O-N 2.69Å
449D90.6Very high85.5Confident20 Ų2095 Ų9511%0.10746%0.457CS..Hα-helixtrans-62.9-45172.9175.151.2000111.7F445 L451 Q452 Q453 R456 Q1202F445-D449 PolarHBondContact O-N 3.46Å; D449-L451 PolarHBondContact O-N 2.89Å; D449-L451 VanDerWaalsContact O-N 3.08Å; D449-Q452 CarbonylContact O-C 3.59Å; D449-Q452 PolarHBondContact O-N 3.21Å; D449-Q453 WeakPolarHBondContact O-CB 3.25Å; D449-Q453 WeakPolarHBondContact O-CG 3.35Å; D449-Q453 PolarHBondContact O-N 2.75Å; D449-Q453 WeakPolarHBondContact OD1-CG 3.47Å; D449-Q453 PolarHBondContact OD1-NE2 2.99Å; D449-Q453 PolarHBondContact OD2-NE2 2.9Å; D449-R456 IonicContact OD1-NH2 3.36Å; D449-R456 PolarHBondContact OD1-NH2 3.37Å; D449-Q1202 PolarHBondContact OD1-NE2 3.21Å; D449-Q1202 PolarHBondContact OD1-OE1 3.47Å
450R92.2Very high85Confident124 Ų12494.5 Ų94.547%0.46845%0.454SS..Hα-helixtrans-62-17.2172.9-72.7-177.9-57.8-109.1-2114R446 Y447 R454R446-R450 WeakPolarHBondContact O-CB 3.4Å; R446-R450 VanDerWaalsContact O-CG 3.25Å; R446-R450 WeakPolarHBondContact O-CG 3.19Å; R446-R450 PolarHBondContact O-N 3.49Å; R446-R450 PolarHBondContact O-NE 2.83Å; R446-R450 VanDerWaalsContact O-NE 3.15Å; R446-R450 PolarHBondContact O-NH2 2.85Å; Y447-R450 PolarHBondContact O-N 2.75Å; R450-R454 PolarHBondContact O-NE 2.95Å
451L88.8Confident84.5Confident63 Ų6395.8 Ų95.833%0.3346%0.455SS..Hα-helixtrans-85.3-45.4170.9-171.462.8000110.6Y447 L448 D449 R454 Q455Y447-L451 PolarHBondContact O-N 2.84Å; L448-L451 CarbonylContact O-C 3.58Å; L448-L451 WeakPolarHBondContact O-CA 3.38Å; L448-L451 WeakPolarHBondContact O-CB 3.48Å; L448-L451 PolarHBondContact O-N 2.83Å; D449-L451 PolarHBondContact O-N 2.89Å; D449-L451 VanDerWaalsContact O-N 3.08Å; L451-R454 PolarHBondContact O-N 2.9Å; L451-Q455 WeakPolarHBondContact O-CG 3.43Å; L451-Q455 PolarHBondContact O-N 3.12Å
452Q88.7Confident83.6Confident93 Ų9393.2 Ų93.244%0.43545%0.448SS..Hα-helixtrans-65.1-37.6177.1-159.8-171.238.900112.3L448 D449 Q455 R456L448-Q452 PolarHBondContact O-N 2.69Å; D449-Q452 CarbonylContact O-C 3.59Å; D449-Q452 PolarHBondContact O-N 3.21Å; Q452-Q455 PolarHBondContact O-N 2.9Å; Q452-R456 WeakPolarHBondContact O-CB 3.25Å; Q452-R456 WeakPolarHBondContact O-CG 3.49Å; Q452-R456 PolarHBondContact O-N 3.07Å; Q452-R456 VanDerWaalsContact OE1-CZ 3.23Å
453Q84.7Confident82.5Confident80 Ų8095 Ų9537%0.37446%0.459SS..Hα-helixtrans-63.6-40.1171.9-72.7-175.96.200111.8D449 R456 Q457D449-Q453 WeakPolarHBondContact O-CB 3.25Å; D449-Q453 WeakPolarHBondContact O-CG 3.35Å; D449-Q453 PolarHBondContact O-N 2.75Å; D449-Q453 WeakPolarHBondContact OD1-CG 3.47Å; D449-Q453 PolarHBondContact OD1-NE2 2.99Å; D449-Q453 PolarHBondContact OD2-NE2 2.9Å; Q453-R456 PolarHBondContact O-N 3.02Å; Q453-Q457 WeakPolarHBondContact O-CB 3.44Å; Q453-Q457 WeakPolarHBondContact O-CG 3.46Å; Q453-Q457 PolarHBondContact O-N 3.18Å
454R84.4Confident81Confident139 Ų139100.3 Ų100.353%0.52548%0.477SS..Hα-helixtrans-69.3-37.3174.5-80.9-174.7-72.6177.50112.3R450 L451 Q457 V458R450-R454 PolarHBondContact O-NE 2.95Å; L451-R454 PolarHBondContact O-N 2.9Å; R454-Q457 PolarHBondContact O-N 3.14Å; R454-V458 WeakPolarHBondContact O-CG2 3.31Å; R454-V458 PolarHBondContact O-N 2.79Å
455Q81.7Confident79.3Confident113 Ų11397.9 Ų97.953%0.52848%0.479SS..Hα-helixtrans-63.8-44.6170.7-72.3176.5-10.200111.6L451 Q452 Q457 V458 L459L451-Q455 WeakPolarHBondContact O-CG 3.43Å; L451-Q455 PolarHBondContact O-N 3.12Å; Q452-Q455 PolarHBondContact O-N 2.9Å; Q455-Q457 PolarHBondContact O-N 3.35Å; Q455-V458 PolarHBondContact O-N 3.25Å; Q455-L459 WeakPolarHBondContact O-CB 3.25Å; Q455-L459 VanDerWaalsContact O-CG 3.31Å; Q455-L459 WeakPolarHBondContact O-CG 3.39Å; Q455-L459 PolarHBondContact O-N 3.17Å
456R81.8Confident77.6Confident109 Ų10998.8 Ų98.841%0.41149%0.49SS..Hα-helixtrans-60.4-40.6173.4-80-173-77.9-112.3-3.8112.3D449 Q452 Q453 S460D449-R456 IonicContact OD1-NH2 3.36Å; D449-R456 PolarHBondContact OD1-NH2 3.37Å; Q452-R456 WeakPolarHBondContact O-CB 3.25Å; Q452-R456 WeakPolarHBondContact O-CG 3.49Å; Q452-R456 PolarHBondContact O-N 3.07Å; Q452-R456 VanDerWaalsContact OE1-CZ 3.23Å; Q453-R456 PolarHBondContact O-N 3.02Å; R456-S460 VanDerWaalsContact O-CB 3.31Å; R456-S460 WeakPolarHBondContact O-CB 3.39Å; R456-S460 PolarHBondContact O-N 2.92Å; R456-S460 PolarHBondContact O-OG 3.4Å
457Q79.1Confident75.6Confident127 Ų12799.5 Ų99.559%0.59350%0.503SS*.Hα-helixtrans-63.6-50.7174.1-80.3-178.4-25.700111.5Q453 R454 Q455 L459 S460 T461Q453-Q457 WeakPolarHBondContact O-CB 3.44Å; Q453-Q457 WeakPolarHBondContact O-CG 3.46Å; Q453-Q457 PolarHBondContact O-N 3.18Å; R454-Q457 PolarHBondContact O-N 3.14Å; Q455-Q457 PolarHBondContact O-N 3.35Å; Q457-L459 VanDerWaalsContact C-N 3.33Å; Q457-L459 PolarHBondContact O-N 3.16Å; Q457-S460 WeakPolarHBondContact CA-OG 3.31Å; Q457-S460 PolarHBondContact O-N 2.91Å; Q457-S460 VanDerWaalsContact O-N 3.12Å; Q457-S460 PolarHBondContact O-OG 3.08Å; Q457-T461 PolarHBondContact O-N 2.86Å; Q457-T461 PolarHBondContact O-OG1 2.76Å; Q457-T461 VanDerWaalsContact O-OG1 3.08Å
458V77.8Confident73.2Confident94 Ų94101.4 Ų101.457%0.5752%0.516SS*.Hα-helixtrans-56.6-45.9176.1169.50000111.3R454 Q455 T461 V462R454-V458 WeakPolarHBondContact O-CG2 3.31Å; R454-V458 PolarHBondContact O-N 2.79Å; Q455-V458 PolarHBondContact O-N 3.25Å; V458-T461 PolarHBondContact O-N 3.12Å; V458-V462 WeakPolarHBondContact O-CB 3.4Å; V458-V462 VanDerWaalsContact O-CG2 3.3Å; V458-V462 WeakPolarHBondContact O-CG2 3.17Å; V458-V462 PolarHBondContact O-N 3.01Å
459L73.4Confident70.6Confident107 Ų10799.6 Ų99.656%0.5652%0.522SS*.Hα-helixtrans-63.5-42.5175.9-71.2171.9000111.8Q455 Q457 T461 V462 L463Q455-L459 WeakPolarHBondContact O-CB 3.25Å; Q455-L459 VanDerWaalsContact O-CG 3.31Å; Q455-L459 WeakPolarHBondContact O-CG 3.39Å; Q455-L459 PolarHBondContact O-N 3.17Å; Q457-L459 VanDerWaalsContact C-N 3.33Å; Q457-L459 PolarHBondContact O-N 3.16Å; L459-T461 PolarHBondContact O-N 2.93Å; L459-V462 PolarHBondContact O-N 3.2Å; L459-L463 WeakPolarHBondContact O-CB 3.45Å; L459-L463 VanDerWaalsContact O-CG 3.25Å; L459-L463 WeakPolarHBondContact O-CG 2.97Å; L459-L463 PolarHBondContact O-N 3.12Å
460S69.2Low68.2Low58 Ų58104.3 Ų104.341%0.40655%0.554SS.*Hα-helixtrans-64.6-37.517772.10000112.7R456 Q457 H464R456-S460 VanDerWaalsContact O-CB 3.31Å; R456-S460 WeakPolarHBondContact O-CB 3.39Å; R456-S460 PolarHBondContact O-N 2.92Å; R456-S460 PolarHBondContact O-OG 3.4Å; Q457-S460 WeakPolarHBondContact CA-OG 3.31Å; Q457-S460 PolarHBondContact O-N 2.91Å; Q457-S460 VanDerWaalsContact O-N 3.12Å; Q457-S460 PolarHBondContact O-OG 3.08Å; S460-H464 WeakPolarHBondContact O-CB 3.5Å; S460-H464 PolarHBondContact O-N 3.03Å
461T71Confident65.6Low97 Ų97106.9 Ų106.960%0.59558%0.576SS**Hα-helixtrans-69.4-37.6174.6-55.60000111.8Q457 V458 L459 A465Q457-T461 PolarHBondContact O-N 2.86Å; Q457-T461 PolarHBondContact O-OG1 2.76Å; Q457-T461 VanDerWaalsContact O-OG1 3.08Å; V458-T461 PolarHBondContact O-N 3.12Å; L459-T461 PolarHBondContact O-N 2.93Å; T461-A465 WeakPolarHBondContact O-CB 3.49Å; T461-A465 PolarHBondContact O-N 2.9Å; T461-A465 VanDerWaalsContact O-N 3.16Å
462V67.7Low63.5Low81 Ų81114.8 Ų114.849%0.49160%0.601SS.*Hα-helixtrans-68.1-42.1174.5169.10000111V458 L459 A465 V466V458-V462 WeakPolarHBondContact O-CB 3.4Å; V458-V462 VanDerWaalsContact O-CG2 3.3Å; V458-V462 WeakPolarHBondContact O-CG2 3.17Å; V458-V462 PolarHBondContact O-N 3.01Å; L459-V462 PolarHBondContact O-N 3.2Å; V462-A465 CarbonylContact O-C 3.58Å; V462-A465 PolarHBondContact O-N 3.11Å; V462-V466 WeakPolarHBondContact O-CG2 3.46Å; V462-V466 PolarHBondContact O-N 2.98Å
463L63Low61.6Low103 Ų103115.7 Ų115.754%0.53962%0.618SS.*Hα-helixtrans-65.9-46.1177.2-70.5167.1000111.6L459 A465 V466 D467L459-L463 WeakPolarHBondContact O-CB 3.45Å; L459-L463 VanDerWaalsContact O-CG 3.25Å; L459-L463 WeakPolarHBondContact O-CG 2.97Å; L459-L463 PolarHBondContact O-N 3.12Å; L463-A465 PolarHBondContact O-N 3.24Å; L463-A465 VanDerWaalsContact O-N 3.11Å; L463-V466 PolarHBondContact O-N 3.42Å; L463-D467 PolarHBondContact O-N 2.68Å
464H57.7Low59.9Low151 Ų151121.3 Ų121.370%0.69964%0.641SS**Hα-helixtrans-59.5-22.6172.2-106.8-72.8000114.1S460S460-H464 WeakPolarHBondContact O-CB 3.5Å; S460-H464 PolarHBondContact O-N 3.03Å
465A53.4Low58.6Low73 Ų73120.4 Ų120.460%0.60365%0.653SS**Hα-helixtrans-90.9-12.117400000113.7T461 V462 L463T461-A465 WeakPolarHBondContact O-CB 3.49Å; T461-A465 PolarHBondContact O-N 2.9Å; T461-A465 VanDerWaalsContact O-N 3.16Å; V462-A465 CarbonylContact O-C 3.58Å; V462-A465 PolarHBondContact O-N 3.11Å; L463-A465 PolarHBondContact O-N 3.24Å; L463-A465 VanDerWaalsContact O-N 3.11Å
466V52.8Low57Low97 Ų97119.6 Ų119.659%0.58865%0.653SS**Hα-helixtrans-88.6-35.1173.2165.20000110.9V462 L463 Q468V462-V466 WeakPolarHBondContact O-CG2 3.46Å; V462-V466 PolarHBondContact O-N 2.98Å; L463-V466 PolarHBondContact O-N 3.42Å; V466-Q468 PolarHBondContact O-N 3.35Å; V466-Q468 VanDerWaalsContact O-N 3.12Å
467D45.8Very low55.8Low131 Ų131120.4 Ų120.470%0.70166%0.664SS**SBendtrans-744.9177.6-64.5-32.1000113.9L463L463-D467 PolarHBondContact O-N 2.68Å
468Q41.5Very low54.9Low167 Ų167117.4 Ų117.478%0.7866%0.655SS**SBendtrans-116.477.2164.8-68-160.31.700111.6V466V466-Q468 PolarHBondContact O-N 3.35Å; V466-Q468 VanDerWaalsContact O-N 3.12Å
469G37.7Very low53.8Low64 Ų64117.5 Ų117.566%0.6665%0.652SS**  trans-68.5165.4160.600000112.3
470P41Very low52.5Low119 Ų119121.7 Ų121.777%0.77366%0.662SS**  cis-113.1154.613.438.1-29.4000115.1R472P470-R472 PolarHBondContact O-N 3.07Å
471L36.5Very low51.9Low179 Ų179124 Ų12494%0.93767%0.669SS**  trans-59.5116.2172.5-65.1166.1000111.9
472R45.3Very low50.9Low228 Ų228125.3 Ų125.386%0.8667%0.672SS**  trans-135.2110.9161.9-79.9-161.7162.9-153-6112.7P470P470-R472 PolarHBondContact O-N 3.07Å
473S47.6Very low49.8Very low113 Ų113132.4 Ų132.479%0.7969%0.69SS**  trans50.1119.4162.154.20000118.5
474K49Very low48.9Very low197 Ų197134.5 Ų134.586%0.85770%0.7SS**PPolyproline II helixtrans-51138.8150.9-71178.5176.8177.20108.8D476K474-D476 PolarHBondContact O-N 3.39Å
475P57.7Low48.1Very low120 Ų120133.7 Ų133.778%0.77971%0.705SS**PPolyproline II helixtrans-63.9127.5166.328.2-32.8000108.8
476D48.5Very low47.3Very low96 Ų96133.2 Ų133.251%0.51371%0.708SS.*PPolyproline II helixtrans-68.2140.1175.9174.643.1000111.3K474 T478 N479K474-D476 PolarHBondContact O-N 3.39Å; D476-T478 PolarHBondContact O-N 2.71Å; D476-T478 VanDerWaalsContact O-N 3.16Å; D476-T478 WeakPolarHBondContact OD2-CB 3.29Å; D476-T478 PolarHBondContact OD2-OG1 3Å; D476-N479 WeakPolarHBondContact O-CB 3.44Å; D476-N479 PolarHBondContact O-N 3.45Å
477L57Low46.6Very low126 Ų126136.7 Ų136.766%0.6672%0.723SS**THydrogen-bonded Turntrans-58.1-32.3-173.5-177.660.6000112.1N479 Y480 I481L477-N479 PolarHBondContact O-N 3.2Å; L477-N479 VanDerWaalsContact O-N 3.16Å; L477-Y480 PolarHBondContact O-N 3.12Å; L477-I481 HydrophobicContact CG-CD1 4.21Å
478T60.3Low46Very low65 Ų65135.3 Ų135.340%0.39972%0.724SS.*Hα-helixtrans-56.9-28.9177.2-370000112.9D476 Y480 I481 N482D476-T478 PolarHBondContact O-N 2.71Å; D476-T478 VanDerWaalsContact O-N 3.16Å; D476-T478 WeakPolarHBondContact OD2-CB 3.29Å; D476-T478 PolarHBondContact OD2-OG1 3Å; T478-Y480 PolarHBondContact O-N 3.5Å; T478-I481 PolarHBondContact O-N 3.45Å; T478-N482 PolarHBondContact O-N 2.64Å
479N54.1Low45.8Very low95 Ų95133.1 Ų133.151%0.50873%0.727SS.*Hα-helixtrans-69.8-17175.9-80.7-94.6000113.8D476 L477 R1077D476-N479 WeakPolarHBondContact O-CB 3.44Å; D476-N479 PolarHBondContact O-N 3.45Å; L477-N479 PolarHBondContact O-N 3.2Å; L477-N479 VanDerWaalsContact O-N 3.16Å; N479-R1077 PolarHBondContact OD1-NH2 2.84Å
480Y46.5Very low45.4Very low196 Ų196138.8 Ų138.877%0.76973%0.734SS**Hα-helixtrans-93.7-21.9176.1-135.9-86.1000112.8L477 T478L477-Y480 PolarHBondContact O-N 3.12Å; T478-Y480 PolarHBondContact O-N 3.5Å
481I55.7Low45.3Very low105 Ų105141.2 Ų141.254%0.53874%0.735SS.*Hα-helixtrans-84.5-43.1-178.7-62.2171.8000110.6L477 T478 R483L477-I481 HydrophobicContact CG-CD1 4.21Å; T478-I481 PolarHBondContact O-N 3.45Å; I481-R483 PolarHBondContact O-N 2.87Å
482N50.6Low45.2Very low125 Ų125143.2 Ų143.267%0.66873%0.73SS**THydrogen-bonded Turntrans-76.826.3-172.5-68.6-0.1000115.3T478T478-N482 PolarHBondContact O-N 2.64Å
483R45.2Very low44.7Very low231 Ų231136.5 Ų136.587%0.87272%0.723SS**THydrogen-bonded Turntrans-124.910.6177.5-155.4-177165.7-142.3-7.6113.8I481I481-R483 PolarHBondContact O-N 2.87Å
484I42.5Very low44.2Very low147 Ų147138.4 Ų138.475%0.75473%0.729SS**SBendtrans-119.4-2.4-175.4-65.2177.7000112.2
485V42.2Very low43.6Very low133 Ų133132.6 Ų132.681%0.80673%0.725SS**  trans-129.7128-177.3-177.20000111.4
486G35.7Very low42.2Very low64 Ų64132.4 Ų132.466%0.6673%0.726SS**  trans92.3126.8171.200000114.9
487N38.5Very low41.8Very low169 Ų169135.7 Ų135.790%0.90474%0.743SS**  cis-146.2151.1-10.1-110.3-12.3000110
488S32.1Very low40.7Very low102 Ų102135.7 Ų135.771%0.71374%0.743SS**  trans-93131.8-17855.70000113.1
489S38Very low39.6Very low121 Ų121140.3 Ų140.385%0.84676%0.76SS**  trans-142.9121.2156.148.50000109.9
490F30.3Very low38.4Very low184 Ų184139.7 Ų139.781%0.80776%0.763SS**  trans-91.6147.7-179.8-65.9-100000110.6
491H38.6Very low37.8Very low170 Ų170136.4 Ų136.479%0.78776%0.759SS**  trans165.6145.5144-95.5-80.2000108.1
492R34Very low36.9Very low220 Ų220140.7 Ų140.783%0.8377%0.774SS**  cis-158.1147.1-31.6168.9175.4-79.7-154.4-2.3105.8
493A34.4Very low36.2Very low87 Ų87140.1 Ų140.172%0.71978%0.777SS**  trans-80.1-172.4-177.800000114.1
494V38.5Very low35.8Very low153 Ų153135.6 Ų135.693%0.92778%0.775SS**  trans92.6128.3-173.8-174.70000112.5
495G35.3Very low35.7Very low75 Ų75134.3 Ų134.377%0.77378%0.776SS**  cis-163.3173.3200000114.4
496C28.9Very low35.9Very low117 Ų117133.4 Ų133.479%0.79177%0.773SS**  trans-95.2143.2-177.8177.20000111.3
497L39.7Very low36.3Very low165 Ų165136 Ų13686%0.86478%0.778SS**  -158159.7128.3-132.476.6000112.4
498D33.9Very low36.3Very low126 Ų126132.2 Ų132.267%0.67476%0.763SS**  trans-110.6140.3-175.816435.9000110.3
499Q36.3Very low36.6Very low162 Ų162138.2 Ų138.276%0.75777%0.77SS**  trans-178.1130.1136.8-100.8151.1107.600114.9
500S28.9Very low36.5Very low82 Ų82138.9 Ų138.957%0.57376%0.764SS**  trans13.8138.2144.753.30000122
501N35.4Very low36.6Very low127 Ų127137.2 Ų137.268%0.67976%0.764SS**  174114.797.2-89.1-62.5000114.4
502F35.8Very low36.9Very low194 Ų194134.1 Ų134.185%0.85175%0.75SS**  trans55.2155.6150.8-66.1-78.1000122.3
503P37Very low37.3Very low114 Ų114135.3 Ų135.374%0.7475%0.754SS**  trans-102.8153.7-15938.8-35.1000115.6
504V36.6Very low38.3Very low135 Ų135136.6 Ų136.682%0.81874%0.744SS**  trans-132.3126.1167.7179.90000109.3
505P39.6Very low39.2Very low121 Ų121132 Ų13279%0.78672%0.717SS**PPolyproline II helixtrans-95.1131.1-177.834-31.9000114
506P46.2Very low40Very low114 Ų114135.1 Ų135.174%0.7472%0.724SS**PPolyproline II helixtrans-86.4171.9160.5-6.226.1000112.5
507P44.5Very low40.8Very low117 Ų117134.1 Ų134.176%0.7673%0.725SS**PPolyproline II helixtrans-84.8173.5-153-12.630.7000116.9
508P39.1Very low42Very low91 Ų91130.2 Ų130.259%0.59171%0.71SS**  trans-82.5-177.6176.736.6-36000113.3
509W37.2Very low42.8Very low228 Ų228127 Ų12786%0.86471%0.706SS**  trans75.6146.3-175.7-45.5-68.1000113.8
510D36.6Very low43.4Very low134 Ų134122.8 Ų122.872%0.71770%0.695SS**  cis-136.1-177.44.5-140.6-45000113.1
511N32Very low44.1Very low150 Ų150121.8 Ų121.880%0.80269%0.687SS**  trans-82.4118.5-161.8-70.4-95.3000114.4
512E44.9Very low44.3Very low105 Ų105123 Ų12349%0.49169%0.693SS.*  trans-151.9144.1146.7-155.6165.2-13600114.9K514E512-K514 HydrophobicContact CB-CD 4.3Å; E512-K514 PolarHBondContact O-N 3.2Å; E512-K514 VanDerWaalsContact O-N 3.13Å; E512-K514 IonicContact OE2-NZ 2.78Å; E512-K514 PolarHBondContact OE2-NZ 3.01Å
513R42.6Very low44.5Very low244 Ų244120.4 Ų120.492%0.92168%0.683SS**  trans-88.473.6-169.5-60.9-177-176.6-155.41.1112.9
514K54.7Low44.3Very low114 Ų114123.3 Ų123.350%0.49669%0.687SS.*  trans-77.5131.7168.2-8185.8179.1-172.20111.3E512 C521E512-K514 HydrophobicContact CB-CD 4.3Å; E512-K514 PolarHBondContact O-N 3.2Å; E512-K514 VanDerWaalsContact O-N 3.13Å; E512-K514 IonicContact OE2-NZ 2.78Å; E512-K514 PolarHBondContact OE2-NZ 3.01Å; K514-C521 WeakPolarHBondContact CE-SG 3.42Å; K514-C521 VanDerWaalsContact CG-SG 3.53Å
515C57.8Low44.2Very low56 Ų56128 Ų12838%0.37869%0.69SS.*  trans-86.4123.3-179.21790000111.9A517 C518 G519C515-A517 PolarHBondContact O-N 3.41Å; C515-C518 VanDerWaalsContact CB-SG 3.57Å; C515-C518 PolarHBondContact O-N 3.47Å; C515-G519 PolarHBondContact O-N 3.03Å; C515-G519 VanDerWaalsContact O-N 3.1Å
516P52.2Low43.6Very low142 Ų142128.4 Ų128.492%0.92269%0.694SS**THydrogen-bonded Turntrans-72-1.4-174.830.8-37.3000114.8
517A45.6Very low43.2Very low96 Ų96128.7 Ų128.779%0.79370%0.696SS**THydrogen-bonded Turntrans-112.1-10.3-179.900000114.4C515C515-A517 PolarHBondContact O-N 3.41Å
518C64.6Low42.6Very low83 Ų83127.4 Ų127.456%0.56170%0.695SS**THydrogen-bonded Turntrans-144.1-5.2-177.365.70000116C515 S520C515-C518 VanDerWaalsContact CB-SG 3.57Å; C515-C518 PolarHBondContact O-N 3.47Å; C518-S520 PolarHBondContact O-N 3.48Å; C518-S520 PolarHBondContact SG-OG 2.96Å
519G52.2Low42.2Very low57 Ų57132.3 Ų132.359%0.58871%0.71SS**  trans67.5-13.6171.700000116.8C515 C521C515-G519 PolarHBondContact O-N 3.03Å; C515-G519 VanDerWaalsContact O-N 3.1Å; G519-C521 PolarHBondContact O-N 3.46Å
520S48.1Very low41.8Very low74 Ų74130.7 Ų130.752%0.51771%0.712SS.*  trans-69.9120.9-178.2570000112.2C518C518-S520 PolarHBondContact O-N 3.48Å; C518-S520 PolarHBondContact SG-OG 2.96Å
521C43.6Very low41.5Very low61 Ų61135.5 Ų135.541%0.41272%0.72SS.*  trans-91.9124.4169.2-43.10000107.3K514 G519K514-C521 WeakPolarHBondContact CE-SG 3.42Å; K514-C521 VanDerWaalsContact CG-SG 3.53Å; G519-C521 PolarHBondContact O-N 3.46Å
522L40.4Very low41.5Very low152 Ų152133.5 Ų133.580%0.79672%0.724SS**  trans-103.180.7178.4-151.8169.8000108.5E524L522-E524 HydrophobicContact CD2-CG 3.9Å; L522-E524 PolarHBondContact O-N 3.03Å
523E39Very low40.8Very low141 Ų141132.9 Ų132.966%0.65974%0.737SS**  trans-91.171.8-167.5-156.9169.4151.600111.3R525E523-R525 PolarHBondContact O-N 2.93Å; E523-R525 VanDerWaalsContact O-N 3.14Å
524E32.7Very low40.4Very low175 Ų175127.2 Ų127.282%0.81874%0.735SS**  trans-73.196.7170.5-80.5-16814800111.2L522L522-E524 HydrophobicContact CD2-CG 3.9Å; L522-E524 PolarHBondContact O-N 3.03Å
525R34.6Very low39.4Very low233 Ų233126.2 Ų126.288%0.87974%0.735SS**  trans-138.5118.8154.5-74.1-163.4172-177.3-0.6111.9E523E523-R525 PolarHBondContact O-N 2.93Å; E523-R525 VanDerWaalsContact O-N 3.14Å
526C28Very low38.4Very low129 Ų129131.1 Ų131.187%0.87276%0.757SS**PPolyproline II helixtrans-72.8131.4173.3-50.50000111
527P36.5Very low37.8Very low121 Ų121133.4 Ų133.479%0.78675%0.747SS**PPolyproline II helixtrans-82.5134.3148.132.6-28000109.3
528A32.4Very low37.6Very low89 Ų89133 Ų13374%0.73674%0.735SS**PPolyproline II helixtrans-77.3157.4164.400000110.3
529E31Very low36.5Very low195 Ų195135.8 Ų135.891%0.91174%0.743SS**  trans27107.3161.1-58.9-173.4106.100119.3
530E28.9Very low35.9Very low194 Ų194143.1 Ų143.191%0.90775%0.753SS**  -161.5168.3106.4-169.2153-164.300111
531R29Very low35.6Very low235 Ų235143.3 Ų143.389%0.88775%0.754SS**  trans-87.2137.5-174.3-55.1163.5172.1176.1-2.5112.9
532A32.4Very low35.3Very low107 Ų107146.6 Ų146.688%0.88477%0.767SS**  trans-155.9149140.600000111.1
533A30.6Very low35.3Very low92 Ų92146.6 Ų146.676%0.7676%0.763SS**  trans-97.4133.5-168.400000114.2
534S33.5Very low35.1Very low125 Ų125143.3 Ų143.387%0.87476%0.76SS**  trans174.4139144.6-78.10000109.6
535D34.9Very low35.4Very low93 Ų93138.4 Ų138.450%0.49775%0.75SS.*  cis-144.480.6-12.1-179.620.4000110.9R537D535-R537 PolarHBondContact O-N 3.4Å; D535-R537 PolarHBondContact OD1-N 2.83Å
536L37.2Very low35.4Very low159 Ų159132.9 Ų132.983%0.83275%0.745SS**THydrogen-bonded Turntrans-78.528.3179.3-76.1170.4000114.3
537R38.5Very low35.7Very low190 Ų190134.8 Ų134.872%0.71774%0.741SS**THydrogen-bonded Turntrans-101-24.9174-83.4-179.4-81.3-133.8-2.5115D535 S541D535-R537 PolarHBondContact O-N 3.4Å; D535-R537 PolarHBondContact OD1-N 2.83Å; R537-S541 WeakPolarHBondContact O-CB 3.21Å; R537-S541 PolarHBondContact O-N 2.97Å; R537-S541 PolarHBondContact O-OG 3.37Å
538V41Very low35.5Very low89 Ų89133 Ų13354%0.53974%0.737SS.*Hα-helixtrans-67.7-47.6-179.7-175.70000111.9R540 S541 L542V538-R540 PolarHBondContact O-N 3.32Å; V538-S541 WeakPolarHBondContact O-CB 3.19Å; V538-S541 PolarHBondContact O-N 3.46Å; V538-S541 VanDerWaalsContact O-N 3.11Å; V538-L542 PolarHBondContact O-N 3.1Å
539L42.7Very low35.6Very low141 Ų141138.4 Ų138.474%0.73875%0.747SS**Hα-helixtrans-64.5-38-179.7-89.1161.5000113.4S541L539-S541 PolarHBondContact O-N 3.42Å
540R39.9Very low35.7Very low211 Ų211133.4 Ų133.480%0.79674%0.739SS**Hα-helixtrans-70-16176.3-164.7169.4-178.11332113.1V538 A544V538-R540 PolarHBondContact O-N 3.32Å; R540-A544 WeakPolarHBondContact O-CB 3.15Å
541S40Very low35.8Very low77 Ų77130.7 Ų130.754%0.53874%0.736SS.*Hα-helixtrans-89.6-24.8-178.7-580000113.7R537 V538 L539R537-S541 WeakPolarHBondContact O-CB 3.21Å; R537-S541 PolarHBondContact O-N 2.97Å; R537-S541 PolarHBondContact O-OG 3.37Å; V538-S541 WeakPolarHBondContact O-CB 3.19Å; V538-S541 PolarHBondContact O-N 3.46Å; V538-S541 VanDerWaalsContact O-N 3.11Å; L539-S541 PolarHBondContact O-N 3.42Å
542L38Very low36.1Very low130 Ų130127.5 Ų127.568%0.68174%0.735SS**Hα-helixtrans-78.3-38170.8-97.375.4000112.2V538 A544 A545V538-L542 PolarHBondContact O-N 3.1Å; L542-A544 VanDerWaalsContact C-N 3.27Å; L542-A544 PolarHBondContact O-N 3.36Å; L542-A545 PolarHBondContact O-N 2.86Å
543Q40.1Very low36.4Very low152 Ų152130.9 Ų130.971%0.7174%0.737SS**Hα-helixtrans-71.4-23.8179.7-163166.23.300112.7A545Q543-A545 VanDerWaalsContact C-N 3.32Å
544A36.5Very low36.5Very low73 Ų73129.7 Ų129.760%0.60373%0.734SS**THydrogen-bonded Turntrans-84.63.7174.300000114.5R540 L542R540-A544 WeakPolarHBondContact O-CB 3.15Å; L542-A544 VanDerWaalsContact C-N 3.27Å; L542-A544 PolarHBondContact O-N 3.36Å
545A38.1Very low36.6Very low72 Ų72129.7 Ų129.760%0.59573%0.731SS**THydrogen-bonded Turntrans-102.7-5.5-175.200000114.6L542 Q543L542-A545 PolarHBondContact O-N 2.86Å; Q543-A545 VanDerWaalsContact C-N 3.32Å
546C34.1Very low36.5Very low117 Ų117131.5 Ų131.579%0.79175%0.75SS**SBendtrans-112.4-3-175.4-64.70000114.7
547E33.7Very low36Very low168 Ų168131 Ų13179%0.78575%0.748SS**SBendtrans-113.630.2-174.5-61.4-174.915600112.4
548A33.3Very low35.6Very low84 Ų84126.3 Ų126.369%0.69474%0.744SS**SBendtrans-112.5-9.4-168.200000116.3
549E33.7Very low35.3Very low203 Ų203130.5 Ų130.595%0.94976%0.758SS**SBendtrans-125.465.6173.8-71.7-151.2147.100111.9
550A32.9Very low34.7Very low90 Ų90127.4 Ų127.474%0.74476%0.76SS**  trans-143.813.6177.200000114.9
551V32.6Very low34.5Very low137 Ų137126.1 Ų126.183%0.8377%0.768SS**  trans-13865.1-177.5-1640000112.4
552L35.4Very low34.2Very low167 Ų167127.9 Ų127.987%0.87478%0.78SS**  trans-141146.7158.8-80.2-177.8000110.5
553L36.9Very low33.8Very low178 Ų178127 Ų12793%0.93279%0.785SS**  trans70.4111.1-176.7-50.8-177.3000114.9
554G34.6Very low33.8Very low68 Ų68124.4 Ų124.470%0.70178%0.782SS**  trans-91.3-165179.400000114
555P34.5Very low33.8Very low124 Ų124131.1 Ų131.181%0.80580%0.797SS**  trans-81.9146.7-162.632.2-36.4000114.4
556C32.6Very low33.7Very low132 Ų132133.5 Ų133.589%0.89281%0.807SS**  trans-130120157.5-72.70000109
557N27.4Very low33.9Very low148 Ų148131.2 Ų131.279%0.79180%0.803SS**  trans-89.3158.2171.8-83.5-22.4000110.9
558S29.4Very low34.1Very low92 Ų92131.4 Ų131.464%0.64381%0.808SS**  trans65.4161.5150.860.60000120.3
559H35Very low34.1Very low176 Ų176135 Ų13582%0.81581%0.81SS**  trans74.3108.5177.5-44.8-66.7000114.7
560G30.4Very low34.2Very low77 Ų77132 Ų13279%0.79481%0.806SS**  trans-85.8164177.400000112.7
561L36.5Very low34.5Very low184 Ų184134.8 Ų134.896%0.96380%0.804SS**  trans-119.2135.6162-68.7174.2000108
562S32.1Very low34.9Very low114 Ų114139.6 Ų139.680%0.79781%0.807SS**  trans-101.8158.4-177.851.10000111.5
563S29.4Very low35.2Very low111 Ų111138.6 Ų138.678%0.77680%0.801SS**  trans72.3174.4156.2-129.60000115.3
564P42Very low35.4Very low98 Ų98140.2 Ų140.264%0.63680%0.795SS**  -136.6163.7-97.140.5-23.7000114.8
565F35.2Very low35.7Very low213 Ų213145.2 Ų145.293%0.93480%0.8SS**  trans-153.2147146.4-87.9-63.2000111.5
566P36.4Very low36Very low123 Ų123144.5 Ų144.580%0.79979%0.794SS**  trans-106.6167.3-170.240.4-34.6000114.7
567G37.5Very low36.3Very low68 Ų68146.4 Ų146.470%0.70179%0.789SS**  trans92.9111.8151.900000117.5
568L37.6Very low36.9Very low172 Ų172147.1 Ų147.190%0.90179%0.791SS**  -175.194.1107.2-95.9170.2000112
569H33.5Very low37.4Very low159 Ų159148 Ų14874%0.73679%0.793SS**  trans-7.6119.7155.3-176.7-79.1000119.3
570T36.2Very low37.5Very low140 Ų140147.2 Ų147.286%0.85979%0.794SS**  trans-136.490146.150.80000111.2
571E40.1Very low37.8Very low150 Ų150150 Ų15070%0.70180%0.796SS**  trans26.7112.6148.8-162.9175.6164.800119.6I573E571-I573 PolarHBondContact O-N 3.47Å
572W40.8Very low37.7Very low238 Ų238148.4 Ų148.490%0.90279%0.794SS**  trans-82.1108.4167.9-144-35.1000109.5R574W572-R574 PolarHBondContact O-N 2.96Å
573I40.4Very low37.9Very low145 Ų145147 Ų14774%0.74479%0.789SS**  trans-66.5109.3172.7-62.1178.2000108.4E571 E575E571-I573 PolarHBondContact O-N 3.47Å; I573-E575 PolarHBondContact O-N 3.42Å
574R41.2Very low38.3Very low213 Ų213146.9 Ų146.980%0.80478%0.784SS**  trans-79109.3174-74.8173.6-88.3-142-3.2108.9W572 T576W572-R574 PolarHBondContact O-N 2.96Å; R574-T576 HydrophobicContact CB-CG2 4.15Å; R574-T576 PolarHBondContact O-N 3.13Å
575E42Very low38.1Very low172 Ų172146.2 Ų146.280%0.80477%0.772SS**  trans-76.881.3170.4-157.3155.4-129.700107.7I573 H577I573-E575 PolarHBondContact O-N 3.42Å; E575-H577 PolarHBondContact O-N 2.84Å
576T40.6Very low38.3Very low110 Ų110140 Ų14068%0.67575%0.753SS**  trans-68.1125.2-170.746.10000112R574 I578R574-T576 HydrophobicContact CB-CG2 4.15Å; R574-T576 PolarHBondContact O-N 3.13Å; T576-I578 PolarHBondContact O-N 2.8Å
577H38.5Very low38.5Very low172 Ų172136.4 Ų136.480%0.79673%0.726SS**  trans-63.7123.3168.4-73.8-125.6000109.7E575 T579E575-H577 PolarHBondContact O-N 2.84Å; H577-T579 PolarHBondContact O-N 3.32Å
578I40.4Very low38.7Very low163 Ų163139.5 Ų139.584%0.83672%0.722SS**  trans-84.888.4167.1-57.9178.3000107.3T576T576-I578 PolarHBondContact O-N 2.8Å
579T40.4Very low38.8Very low110 Ų110137.7 Ų137.768%0.67571%0.709SS**  trans-94.1117.5166.8420000109.6H577 T581H577-T579 PolarHBondContact O-N 3.32Å; T579-T581 PolarHBondContact O-N 2.98Å
580D36.4Very low39.3Very low159 Ų159136.5 Ų136.585%0.8570%0.704SS**SBendtrans-64.396.4164.8-85.7-45.1000109.9
581T36.7Very low39.5Very low136 Ų136136.6 Ų136.683%0.83470%0.699SS**  trans178.6125.2131.429.50000109.8T579T579-T581 PolarHBondContact O-N 2.98Å
582V35Very low39.5Very low150 Ų150134.1 Ų134.191%0.90970%0.698SS**  trans-132.1118.3171.3175.90000109.3
583A35.7Very low39.5Very low84 Ų84126.8 Ų126.869%0.69469%0.689SS**  trans-165.9151.4156.700000108.1
584T36.9Very low39.9Very low110 Ų110128 Ų12868%0.67570%0.696SS**  trans78.4130-176.379.60000116.5
585H37.8Very low39.8Very low83 Ų83124.8 Ų124.838%0.38469%0.694SS.*  cis-162.8154.9-20.6-107.9-52.3000112.2A655 W656 S657H585-A655 PolarHBondContact CD2-O 3.11Å; H585-A655 VanDerWaalsContact CD2-O 3.31Å; H585-W656 PolarHBondContact CD2-O 3.16Å; H585-W656 AromaticContact CE1-CD1 3.76Å; H585-W656 VanDerWaalsContact CG-C 3.42Å; H585-W656 VanDerWaalsContact NE2-C 3.29Å; H585-W656 VanDerWaalsContact NE2-CA 3.32Å; H585-W656 WeakPolarHBondContact NE2-CA 3.36Å; H585-W656 AromaticContact NE2-CD1 3.62Å; H585-S657 PolarHBondContact CD2-N 3.44Å; H585-S657 VanDerWaalsContact CD2-N 3.25Å; H585-S657 PolarHBondContact CE1-N 3.34Å; H585-S657 VanDerWaalsContact CE1-N 3.29Å; H585-S657 PolarHBondContact CE1-OG 2.97Å; H585-S657 WeakPolarHBondContact ND1-CA 3.24Å; H585-S657 VanDerWaalsContact ND1-CB 3.28Å; H585-S657 WeakPolarHBondContact ND1-CB 3.38Å; H585-S657 PolarHBondContact ND1-N 2.7Å; H585-S657 VanDerWaalsContact ND1-N 3.17Å; H585-S657 PolarHBondContact ND1-OG 3.11Å; H585-S657 PolarHBondContact NE2-N 3.48Å
586P39.4Very low39.9Very low84 Ų84121 Ų12155%0.54569%0.687SS.*  trans-129.6158.2177.141.7-28.9000117S657P586-S657 WeakPolarHBondContact O-CB 3.36Å
587E41.9Very low40Very low46 Ų46121.7 Ų121.722%0.21569%0.691CS.*  -139.1151.6126.6-30.3166.8117.600104.9H658 L659 P660 Q661E587-H658 HydrophobicContact CG-CB 3.78Å; E587-H658 VanDerWaalsContact CG-ND1 3.27Å; E587-H658 WeakPolarHBondContact CG-ND1 3.39Å; E587-H658 WeakPolarHBondContact OE1-CB 3.45Å; E587-H658 IonicContact OE1-CE1 3.14Å; E587-H658 IonicContact OE1-CG 3.83Å; E587-H658 IonicContact OE1-ND1 3.33Å; E587-H658 PolarHBondContact OE1-ND1 2.84Å; E587-H658 VanDerWaalsContact OE2-C 3.32Å; E587-H658 WeakPolarHBondContact OE2-CB 3.34Å; E587-L659 CarbonylContact C-O 3.57Å; E587-L659 WeakPolarHBondContact CB-O 3.28Å; E587-L659 PolarHBondContact OE2-N 3.45Å; E587-L659 VanDerWaalsContact OE2-O 3.14Å; E587-P660 WeakPolarHBondContact OE2-CA 3.3Å; E587-Q661 HydrophobicContact CB-CB 4.38Å; E587-Q661 PolarHBondContact OE2-N 3.1Å
588E41.8Very low40.3Very low133 Ų133122.2 Ų122.262%0.62169%0.693SS**  81.2120.258.7-51.1167.8134.700114.5Q661E588-Q661 HydrophobicContact CB-CB 4.06Å; E588-Q661 HydrophobicContact CB-CG 4.16Å; E588-Q661 WeakPolarHBondContact O-CA 3.42Å; E588-Q661 VanDerWaalsContact O-CB 3.24Å; E588-Q661 WeakPolarHBondContact O-CB 3.41Å
589E39.1Very low40.2Very low134 Ų134119 Ų11963%0.62669%0.686SS**  trans-150154.1143.8-154.9174.5139.900108.4Q661 L662E589-Q661 HydrophobicContact CG-CG 4.48Å; E589-L662 HydrophobicContact CG-CB 4.28Å
590E43.5Very low40.2Very low134 Ų134118.1 Ų118.163%0.62668%0.684SS**  trans-72.5164.7-158.3-55.8-165.3105.700114
591D39.8Very low40.6Very low142 Ų142117.2 Ų117.276%0.75968%0.679SS**  -16515066.5-172.18.2000113.7
592S41.2Very low40.8Very low99 Ų99114.4 Ų114.469%0.69267%0.665SS**  trans63.2112.1152.1-79.50000123
593A41.2Very low41Very low84 Ų84119.4 Ų119.469%0.69467%0.668SS**  100.7103.6116.900000122.4
594L48.5Very low41.4Very low170 Ų170125.4 Ų125.489%0.8968%0.678SS**  77.1109.9124.6-61.4179000122.8
595D39.9Very low41.9Very low146 Ų146127.8 Ų127.878%0.78169%0.687SS**  115.3132118.3-157.225.8000121.1
596S43.1Very low42.2Very low92 Ų92126.4 Ų126.464%0.64370%0.695SS**  trans33.9132.7161.4-66.20000122.6
597T43.3Very low42.7Very low125 Ų125128.4 Ų128.477%0.76771%0.705SS**  cis95.890.630.8-600000115.7
598H43.3Very low42.9Very low182 Ų182133.2 Ų133.284%0.84373%0.733SS**  trans171.7159148.6-111.7-86.2000107.8
599S38.8Very low42.8Very low97 Ų97130.8 Ų130.868%0.67874%0.735SS**  cis-149.6156.7-5.7-159.40000109.8
600S39.8Very low42.8Very low91 Ų91134.5 Ų134.564%0.63674%0.744SS**  trans-90.7148.5162.8167.50000110.7
601D45.2Very low42.7Very low140 Ų140133.4 Ų133.475%0.74975%0.746SS**  -172.9122.8126.9-93.6-32.7000108.8
602S40.8Very low42.4Very low77 Ų77131.5 Ų131.554%0.53874%0.744SS.*  83.61325392.90000113.6
603W39.6Very low42.2Very low254 Ų254136 Ų13696%0.96275%0.754SS**  trans-174.3156.4145.2-79.5-21.3000109.5
604K43.8Very low41.9Very low211 Ų211137.3 Ų137.392%0.91776%0.758SS**  trans-145146.2-178.9-72.1-171.2177.9-175.80111.2
605D49.2Very low41.2Very low160 Ų160134.4 Ų134.486%0.85675%0.752SS**  trans-165.9156.2147.8-132.3-13.1000107.8
606G42.2Very low40.9Very low53 Ų53138.8 Ų138.855%0.54676%0.758SS.*  cis-151.7152.1-7.500000108.5
607T51.4Low40.4Very low126 Ų126139.4 Ų139.477%0.77377%0.768SS**  57.2138.290.156.30000114.4
608D44.7Very low40Very low147 Ų147136.7 Ų136.779%0.78677%0.765SS**  cis-159.5-179.29.5-145.2-32.7000112.9
609A40.7Very low39.4Very low82 Ų82136.1 Ų136.168%0.67876%0.763SS**  trans74.3138.2140.300000121.5
610R39.3Very low39.2Very low213 Ų213138.8 Ų138.880%0.80477%0.765SS**  cis-173.5154.8-17.4-143.4-165.3-177.7-146.73113
611T40.3Very low38.6Very low110 Ų110141.6 Ų141.668%0.67577%0.771SS**  trans60155.2151.936.10000119.5
612S34.5Very low37.9Very low102 Ų102145.8 Ų145.871%0.71378%0.776SS**  cis-161.5139.6-9.237.80000106.6
613Q37Very low37.5Very low194 Ų194147.8 Ų147.891%0.90779%0.785SS**  cis76.585.747.3-148.3-169.836.300115.7
614S35.5Very low37.1Very low111 Ų111140.5 Ų140.578%0.77677%0.773SS**  trans-174.8154150.456.70000109.4
615S32Very low36.4Very low109 Ų109135 Ų13576%0.76276%0.761SS**  cis163.8137.9-45.151.70000108.3
616R34.9Very low36Very low239 Ų239133.8 Ų133.890%0.90276%0.762SS**  trans77.2116.1162.9-177.3175.9-76-119.6-0.5120.1
617A33.1Very low35.5Very low104 Ų104137.2 Ų137.286%0.8676%0.763SS**  trans49.913614000000123
618G35Very low34.9Very low69 Ų69140 Ų14071%0.71177%0.768SS**  trans149.3105.1178.800000106.3
619E30.4Very low34.3Very low169 Ų169139.5 Ų139.579%0.7976%0.755SS**  55135.573.8-102.7-155.188.900115.4
620Q34.2Very low34Very low154 Ų154144.7 Ų144.772%0.7276%0.757SS**  trans68.3118.7171.4-61.1178.836.600114.8
621I27.5Very low34Very low149 Ų149141.8 Ų141.876%0.76475%0.752SS**  73134.866.1-67.2169.8000112
622R29.1Very low33.8Very low229 Ų229139.9 Ų139.986%0.86476%0.755SS**  trans78.4144.5164.8-92.2178.3173.3-171-1.5119.6
623V33.9Very low33.9Very low118 Ų118140.3 Ų140.372%0.71576%0.757SS**  trans6498.2144.3174.80000115.4
624S30.8Very low33.9Very low101 Ų101141 Ų14171%0.70675%0.752SS**  65.9107.568.5-54.80000114.4
625S29.6Very low34.4Very low96 Ų96140 Ų14067%0.67174%0.743SS**  trans39.2127142.6-510000120.9
626P40.2Very low34.8Very low135 Ų135142.8 Ų142.888%0.87774%0.744SS**  -91114.7115.2-8.326.3000107
627Q32Very low34.9Very low124 Ų124135 Ų13558%0.57974%0.737SS**  cis51.471.243-74.4-152.3-1.700114.2
628Q38.2Very low35.2Very low186 Ų186133.4 Ų133.487%0.86973%0.731SS**  -128.6115.9112.4-63.4-161.31400105.6
629R31.3Very low35.6Very low135 Ų135136.2 Ų136.251%0.50974%0.737SS.*  cis60.5116.244.4-135.5-163.4-71-164.87.5108
630W35.1Very low36Very low192 Ų192139 Ų13973%0.72774%0.74SS**  cis-138146.538.3-71.374.3000115.8
631H39.7Very low36Very low152 Ų152143.3 Ų143.370%0.70475%0.75SS**  trans32.7139132.5-59.6-123.5000119.1
632G35.2Very low36.4Very low70 Ų70141.9 Ų141.972%0.72275%0.753SS**  cis141.8160.31500000108
633S36.3Very low36.9Very low110 Ų110142.4 Ų142.477%0.76976%0.755SS**  cis-145.2150.1-2.1-76.30000107.5
634R37.6Very low37.1Very low210 Ų210144.1 Ų144.179%0.79275%0.753SS**  72.7145.852.8-137.9-137.5173.5-130.60.7112
635P45.9Very low37.3Very low90 Ų90144 Ų14458%0.58476%0.758SS**  -122.5-126.4-6237.2-20000112
636Q41.3Very low37.4Very low167 Ų167146.8 Ų146.878%0.7876%0.76SS**  cis-166128.636.7-168.7153.2-17.400115.8
637G36.5Very low37.2Very low74 Ų74145 Ų14576%0.76376%0.757SS**  trans7514015000000119.1
638G39.5Very low37.3Very low72 Ų72148 Ų14874%0.74277%0.771SS**  cis71163.9-7.200000116.5
639P43Very low36.8Very low127 Ų127147 Ų14783%0.82577%0.771SS**  cis-105.4-131.1425.4-2.5000110.5
640R38.6Very low37.5Very low229 Ų229145.9 Ų145.986%0.86478%0.781SS**  cis-1611593.9-155-176.9-171.4-160.33111.7
641W35.6Very low37.3Very low244 Ų244142.6 Ų142.692%0.92479%0.786SS**  trans-97.7165.9175.9-56.1-60.9000114.9
642S35.9Very low36.9Very low118 Ų118138.7 Ų138.783%0.82579%0.787SS**  trans-163144.6148.4-77.80000108.5
643R38.2Very low36.7Very low240 Ų240143.7 Ų143.791%0.90680%0.796SS**  cis-147.4147.6-8.7171179.4-71.4-146.90.8108.4
644K38.3Very low36.6Very low155 Ų155145.6 Ų145.667%0.67479%0.792SS**  trans-77.2142.4176.3-167.7-166.8-175.9-1470111.1E646K644-E646 WeakPolarHBondContact CE-OE2 3.47Å; K644-E646 IonicContact NZ-OE1 3.88Å; K644-E646 PolarHBondContact NZ-OE1 3.27Å; K644-E646 IonicContact NZ-OE2 2.95Å; K644-E646 PolarHBondContact NZ-OE2 2.67Å
645A34.5Very low36.2Very low97 Ų97139 Ų13980%0.80278%0.783SS**  trans-138.7136.8161.200000108.4
646E32.6Very low35.5Very low156 Ų156142.5 Ų142.573%0.72979%0.785SS**  trans-95.9135.3172.1-85.6134.912000109.6K644K644-E646 WeakPolarHBondContact CE-OE2 3.47Å; K644-E646 IonicContact NZ-OE1 3.88Å; K644-E646 PolarHBondContact NZ-OE1 3.27Å; K644-E646 IonicContact NZ-OE2 2.95Å; K644-E646 PolarHBondContact NZ-OE2 2.67Å
647A36.3Very low34.9Very low97 Ų97136 Ų13680%0.80276%0.758SS**  trans-151.2154.4166.500000107.7
648E33.2Very low34.7Very low187 Ų187137.4 Ų137.487%0.87474%0.744SS**  trans-84.8-179.7-167.3-67.5146.1123.100113.8P650E648-P650 WeakPolarHBondContact O-CD 3.45Å
649L28Very low34.4Very low165 Ų165139 Ų13986%0.86474%0.736SS**  trans-61.1137.2174.5-68.3162000111.5
650P46.9Very low34Very low111 Ų111138 Ų13872%0.72173%0.728SS**  -111.7139.2121.5-11.230.1000109.9E648E648-P650 WeakPolarHBondContact O-CD 3.45Å
651C30.4Very low33.9Very low124 Ų124130.4 Ų130.484%0.83870%0.703SS**  60.3109.663.1-56.10000112.1
652G32.1Very low34Very low70 Ų70123.2 Ų123.272%0.72268%0.682SS**  cis176166.8-6.500000113.2
653L30.2Very low33.9Very low174 Ų174124 Ų12491%0.91168%0.677SS**  trans-135.358.9160.9-96.9174.2000109.4A655L653-A655 PolarHBondContact O-N 3.29Å; L653-A655 VanDerWaalsContact O-N 3.15Å
654Q33.1Very low33.8Very low150 Ų150119.5 Ų119.570%0.70167%0.671SS**  trans-72.985.9146.5-78.4176.4-52.900106.8W656Q654-W656 HydrophobicContact CB-CB 4.23Å; Q654-W656 HydrophobicContact CB-CG 4.32Å; Q654-W656 HydrophobicContact CG-CG 4.42Å; Q654-W656 PolarHBondContact O-N 3.24Å; Q654-W656 VanDerWaalsContact O-N 3.1Å
655A31Very low33.7Very low73 Ų73115.4 Ų115.460%0.60367%0.673SS**  trans-69.987.1138.500000104.2H585 L653H585-A655 PolarHBondContact CD2-O 3.11Å; H585-A655 VanDerWaalsContact CD2-O 3.31Å; L653-A655 PolarHBondContact O-N 3.29Å; L653-A655 VanDerWaalsContact O-N 3.15Å
656W31Very low33.9Very low163 Ų163116.9 Ų116.962%0.61767%0.672SS**  trans-76.5-163.8180-129.330.7000109H585 Q654 H658H585-W656 PolarHBondContact CD2-O 3.16Å; H585-W656 AromaticContact CE1-CD1 3.76Å; H585-W656 VanDerWaalsContact CG-C 3.42Å; H585-W656 VanDerWaalsContact NE2-C 3.29Å; H585-W656 VanDerWaalsContact NE2-CA 3.32Å; H585-W656 WeakPolarHBondContact NE2-CA 3.36Å; H585-W656 AromaticContact NE2-CD1 3.62Å; Q654-W656 HydrophobicContact CB-CB 4.23Å; Q654-W656 HydrophobicContact CB-CG 4.32Å; Q654-W656 HydrophobicContact CG-CG 4.42Å; Q654-W656 PolarHBondContact O-N 3.24Å; Q654-W656 VanDerWaalsContact O-N 3.1Å; W656-H658 AromaticContact CE3-NE2 3.65Å
657S28.1Very low34.2Very low30 Ų30116.4 Ų116.421%0.2168%0.679CS.*  trans-61.6170.9167.750000108.8H585 P586H585-S657 PolarHBondContact CD2-N 3.44Å; H585-S657 VanDerWaalsContact CD2-N 3.25Å; H585-S657 PolarHBondContact CE1-N 3.34Å; H585-S657 VanDerWaalsContact CE1-N 3.29Å; H585-S657 PolarHBondContact CE1-OG 2.97Å; H585-S657 WeakPolarHBondContact ND1-CA 3.24Å; H585-S657 VanDerWaalsContact ND1-CB 3.28Å; H585-S657 WeakPolarHBondContact ND1-CB 3.38Å; H585-S657 PolarHBondContact ND1-N 2.7Å; H585-S657 VanDerWaalsContact ND1-N 3.17Å; H585-S657 PolarHBondContact ND1-OG 3.11Å; H585-S657 PolarHBondContact NE2-N 3.48Å; P586-S657 WeakPolarHBondContact O-CB 3.36Å
658H32.6Very low34.1Very low104 Ų104115.5 Ų115.548%0.48168%0.679SS.*  -174.6120.272.6-86.7-84000104.6E587 W656E587-H658 HydrophobicContact CG-CB 3.78Å; E587-H658 VanDerWaalsContact CG-ND1 3.27Å; E587-H658 WeakPolarHBondContact CG-ND1 3.39Å; E587-H658 WeakPolarHBondContact OE1-CB 3.45Å; E587-H658 IonicContact OE1-CE1 3.14Å; E587-H658 IonicContact OE1-CG 3.83Å; E587-H658 IonicContact OE1-ND1 3.33Å; E587-H658 PolarHBondContact OE1-ND1 2.84Å; E587-H658 VanDerWaalsContact OE2-C 3.32Å; E587-H658 WeakPolarHBondContact OE2-CB 3.34Å; W656-H658 AromaticContact CE3-NE2 3.65Å
659L32.9Very low34.4Very low106 Ų106110.3 Ų110.356%0.55568%0.676SS**  trans-95.9111.4-174.3-178.1176000105.6E587 Q661E587-L659 CarbonylContact C-O 3.57Å; E587-L659 WeakPolarHBondContact CB-O 3.28Å; E587-L659 PolarHBondContact OE2-N 3.45Å; E587-L659 VanDerWaalsContact OE2-O 3.14Å; L659-Q661 PolarHBondContact O-N 2.66Å
660P34.1Very low34.8Very low104 Ų104112.1 Ų112.168%0.67568%0.68SS**PPolyproline II helixtrans-60.1124-143.522.5-36.3000115.3E587E587-P660 WeakPolarHBondContact OE2-CA 3.3Å
661Q36.4Very low34.2Very low71 Ų71110.1 Ų110.133%0.33268%0.679SS.*PPolyproline II helixtrans-95.6154.8164.5-174.3164.53300113.1E587 E588 E589 L659E587-Q661 HydrophobicContact CB-CB 4.38Å; E587-Q661 PolarHBondContact OE2-N 3.1Å; E588-Q661 HydrophobicContact CB-CB 4.06Å; E588-Q661 HydrophobicContact CB-CG 4.16Å; E588-Q661 WeakPolarHBondContact O-CA 3.42Å; E588-Q661 VanDerWaalsContact O-CB 3.24Å; E588-Q661 WeakPolarHBondContact O-CB 3.41Å; E589-Q661 HydrophobicContact CG-CG 4.48Å; L659-Q661 PolarHBondContact O-N 2.66Å
662L38.6Very low35.1Very low92 Ų92114.7 Ų114.748%0.48268%0.679SS.*PPolyproline II helixtrans-79.4147.9173.7-128.273.5000115.5E589E589-L662 HydrophobicContact CG-CB 4.28Å
663D33.4Very low35.3Very low136 Ų136118.2 Ų118.273%0.72768%0.677SS**  trans76.6161.6138-109.9-48.7000126.5
664D37.1Very low35.5Very low144 Ų144114.7 Ų114.777%0.7767%0.673SS**  trans59.465.7160.3-114.8-22.7000123.2
665G35.6Very low35.8Very low70 Ų70113.3 Ų113.372%0.72268%0.68SS**  82.5-157.2101.600000121.9
666V38.5Very low36Very low127 Ų127113.1 Ų113.177%0.7769%0.685SS**  trans67.886.6176.6-166.80000119.4
667V39.1Very low36.4Very low146 Ų146114.2 Ų114.289%0.88570%0.696SS**  52.8127124.5179.20000121.2
668G34.3Very low36.7Very low78 Ų78120.1 Ų120.180%0.80472%0.724SS**  12596.7125.200000118.1
669G38.3Very low37.3Very low78 Ų78119.4 Ų119.480%0.80473%0.729SS**  trans-157.8109.1167.300000112.4
670E37.5Very low37.5Very low204 Ų204123.2 Ų123.295%0.95374%0.743SS**  trans-68.8149.8174-59.8164.196.600110.7
671G34.6Very low37.6Very low68 Ų68121.7 Ų121.770%0.70175%0.747SS**  cis132.5115.11.500000111.4
672R48.2Very low37.7Very low220 Ų220124 Ų12483%0.8377%0.766SS**  trans-152.8156167.4-83.5-146.3172.3-78.6-11.6114.3
673E36.8Very low37.7Very low145 Ų145127.4 Ų127.468%0.67878%0.784SS**  trans-44.1144.3-174.6-58109.8118.600116.2
674A35.4Very low37.6Very low100 Ų100129.8 Ų129.883%0.82679%0.788SS**  cis101.6109.723.600000116
675S37.7Very low37.8Very low121 Ų121127.8 Ų127.885%0.84678%0.783SS**  trans172.5114.1156.1-176.70000109.4
676G36.2Very low37.9Very low69 Ų69132.6 Ų132.671%0.71179%0.787SS**  94.2137100.600000112.5
677H38.2Very low37.7Very low185 Ų185135.2 Ų135.286%0.85679%0.79SS**  cis-154.916912.6-114.1-94.6000112.4
678I36Very low37.5Very low154 Ų154135.6 Ų135.679%0.7979%0.788SS**  trans-148.5-176.3-179.156.3171000109.4
679P44.3Very low37.6Very low90 Ų90135.4 Ų135.458%0.58478%0.778SS**  cis-144.3-163.6646-25.8000117.5
680Q37.5Very low37.3Very low185 Ų185138.1 Ų138.186%0.86478%0.779SS**  trans71.6151158.7-66.915514.800118.6
681G36.8Very low37.4Very low73 Ų73133.9 Ų133.975%0.75377%0.769SS**  cis176.4-169.83.800000110.4
682T38.7Very low37.5Very low120 Ų120139.6 Ų139.674%0.73678%0.775SS**  cis-169.2129.8-1.6-67.20000112.4
683L36.6Very low36.8Very low163 Ų163134.7 Ų134.785%0.85377%0.771SS**  trans71.6149.7154.6-69.7171.5000126.9
684F31.3Very low36.4Very low185 Ų185131.8 Ų131.881%0.81177%0.772SS**  trans-85.2-175.8177.1-79.6-80.2000112.8
685P43.4Very low36.5Very low102 Ų102134.7 Ų134.766%0.66277%0.773SS**  cis-156.2-168.643.747.3-23.7000120.5
686E37Very low36.4Very low171 Ų171135.9 Ų135.980%0.79977%0.765SS**  trans61128.6162.8-72157.993.900118.3
687E34.6Very low36.5Very low182 Ų182137.2 Ų137.285%0.8576%0.761SS**  cis86.3103.241.3-170.6175.1147.700114.1
688D34.4Very low36.6Very low154 Ų154137.4 Ų137.482%0.82476%0.76SS**  trans-172160.7130.4-146.9-14000113.7
689A36.2Very low36.8Very low74 Ų74138.8 Ų138.861%0.61276%0.755SS**  trans30.8112.2151.800000124.4
690V33Very low36.6Very low136 Ų136140.2 Ų140.282%0.82476%0.764SS**  18.8131.4104.6170.20000116.9
691P38.9Very low36.3Very low115 Ų115139 Ų13975%0.74775%0.752SS**  cis-151.9-169.647.337.7-13.7000118.8
692K37.1Very low36.4Very low188 Ų188140.6 Ų140.682%0.81775%0.751SS**  trans-43.3148.9157.9-88.4176175.3170.30114.2
693P32.8Very low36.2Very low116 Ų116141.7 Ų141.775%0.75375%0.748SS**  -126167.280.46.716.6000113
694A27.4Very low36.1Very low84 Ų84137 Ų13769%0.69474%0.739SS**  cis88.215829.600000115.9
695L38.6Very low36.4Very low161 Ų161135.9 Ų135.984%0.84374%0.736SS**  trans85.6116.8-173.8-51.9175.5000114.2
696E35.9Very low36Very low146 Ų146138.6 Ų138.668%0.68274%0.744SS**  74.5154.468.7-87.6-86.8106.400113.4
697P38.8Very low36.1Very low97 Ų97133.8 Ų133.863%0.6374%0.741SS**  cis-118.9-171.8-5819.6000112.7
698K39.9Very low36.4Very low189 Ų189131.1 Ų131.182%0.82274%0.739SS**  cis-151.6150.35.6-132.8152.4-167.1168.70113.7
699R40.3Very low36.4Very low184 Ų184135.4 Ų135.469%0.69474%0.744SS**  trans-84.9171.8167.2-95.6177.1-171.5169.36.7111.7
700P38.6Very low36.2Very low120 Ų120137.8 Ų137.878%0.77976%0.756SS**  -129154.350.913.713000116.6
701W33.2Very low36.2Very low159 Ų159134.4 Ų134.460%0.60275%0.749SS**  79.5134.455.9-139.8-111.4000111.4Q703W701-Q703 VanDerWaalsContact CE2-OE1 3.29Å
702S37.1Very low35.9Very low106 Ų106134 Ų13474%0.74175%0.749SS**  cis-164.5-176.331-10.80000110
703Q34.3Very low35.8Very low143 Ų143134 Ų13467%0.66875%0.751SS**  cis174.7132.8-39.4178.6-179.85.400109.7W701W701-Q703 VanDerWaalsContact CE2-OE1 3.29Å
704G34.7Very low35.5Very low64 Ų64134.7 Ų134.766%0.6676%0.757SS**  trans147.2114.3166.300000113
705Q37.7Very low35.7Very low163 Ų163135.4 Ų135.476%0.76276%0.764SS**  72.1128.665.5-74.5-15222.500114.1
706L35.1Very low35.3Very low158 Ų158136.2 Ų136.283%0.82776%0.763SS**  cis-133.8157-5.4-5892.9000108.4
707G40.1Very low35.5Very low70 Ų70133.8 Ų133.872%0.72276%0.76SS**  140.416074.500000109.7
708P40.7Very low35.2Very low127 Ų127137.7 Ų137.783%0.82577%0.769SS**  trans-121.7146.2-145.638.7-28.1000117.5
709R33.7Very low34.9Very low244 Ų244135.8 Ų135.892%0.92177%0.768SS**  trans-167.3130.1140.8-125.9170.3154.8-125.2-5.4114.8
710S32.3Very low34.4Very low123 Ų123132.6 Ų132.686%0.8677%0.773SS**  trans38110.3149.5-163.40000119.3
711G33.2Very low34Very low66 Ų66138.6 Ų138.668%0.6878%0.78SS**  cis169.7152.3-2.600000112.8
712S33.5Very low34Very low107 Ų107136 Ų13675%0.74879%0.786SS**  trans40.8129162.261.90000121.6
713H34Very low34Very low186 Ų186136.2 Ų136.286%0.86179%0.785SS**  cis-162.7137.5-20.9-115-65.3000107
714C26.6Very low33.7Very low131 Ų131136 Ų13689%0.88580%0.798SS**  trans-81.1135.9177.4-52.20000111.3
715A32.4Very low33.6Very low100 Ų100143.5 Ų143.583%0.82681%0.806SS**  trans-179.8107.6137.600000111.9
716H29.8Very low33.2Very low178 Ų178142 Ų14282%0.82481%0.808SS**  trans-143.7117141.2-166.4-62.6000106
717P38.8Very low32.9Very low95 Ų95138.5 Ų138.562%0.61780%0.802SS**  trans-71.6168.2177.731.5-34.8000110.8
718E32.9Very low32.6Very low178 Ų178145.7 Ų145.783%0.83281%0.809SS**  trans-63.4131.7178.4-64.984.2167.700112.2
719D33.4Very low32Very low150 Ų150142 Ų14280%0.80279%0.789SS**  -161.4162.2119.5-124-35.3000113.9
720C29.8Very low32Very low117 Ų117135.8 Ų135.879%0.79178%0.778SS**  trans45.369167.4-64.10000119
721R31.4Very low32.3Very low245 Ų245134.5 Ų134.593%0.92577%0.767SS**  trans-96.297.2172.8-169.3-168.2-144.4-152.68.7113.7
722S31.8Very low32.2Very low105 Ų105139.4 Ų139.473%0.73477%0.77SS**  trans-145.490.817250.50000115
723P37.4Very low32.1Very low111 Ų111140.4 Ų140.472%0.72178%0.777SS**  trans-92.3104.9173.533.7-29.9000112R725P723-R725 PolarHBondContact O-N 3.31Å
724C28.8Very low32.1Very low139 Ų139139.8 Ų139.894%0.93977%0.772SS**  trans-72.885.9174.3-65.70000112
725R32Very low32.5Very low221 Ų221140.4 Ų140.483%0.83477%0.772SS**  trans-142.399175.5-163.7178.2-165.7-1413.3114.5P723P723-R725 PolarHBondContact O-N 3.31Å
726T30.2Very low32.5Very low131 Ų131147.4 Ų147.480%0.80478%0.777SS**  trans72.8148.2150.2-51.90000118.6
727A28.6Very low32.6Very low84 Ų84142.2 Ų142.269%0.69477%0.772SS**  trans73.890.4169.700000118.3
728Y32.4Very low32.3Very low222 Ų222144.1 Ų144.187%0.87179%0.787SS**  trans-9573.1156.3-90.4-74.8000111.3V730Y728-V730 HydrophobicContact CD1-CG2 3.89Å
729A29.2Very low32.1Very low48 Ų48141.2 Ų141.240%0.39779%0.786SS.*  trans-100.795.416500000108.8
730V34.5Very low32Very low114 Ų114138 Ų13869%0.69179%0.788SS**  trans-116.9139.6-173.21780000111.1Y728Y728-V730 HydrophobicContact CD1-CG2 3.89Å
731P36.8Very low32Very low97 Ų97138.7 Ų138.763%0.6380%0.795SS**  trans-127.4159.2-144.813.712.7000117.2
732F31.5Very low32Very low168 Ų168130.9 Ų130.974%0.73779%0.791SS**  trans57.8132.4143.4-84.2-102.1000122.6K734F732-K734 HydrophobicContact CD1-CD 4.36Å; F732-K734 HydrophobicContact CD1-CG 3.71Å; F732-K734 HydrophobicContact CE1-CD 4.43Å; F732-K734 HydrophobicContact CE1-CG 4.04Å
733S32.8Very low32Very low129 Ų129134.7 Ų134.790%0.90280%0.797SS**  trans-132.6142.1136.1-80.80000108.9
734K32.3Very low32.3Very low172 Ų172134 Ų13475%0.74879%0.793SS**  trans-115.9144.8-176.7-65.8176.7178.9162.50112.3F732F732-K734 HydrophobicContact CD1-CD 4.36Å; F732-K734 HydrophobicContact CD1-CG 3.71Å; F732-K734 HydrophobicContact CE1-CD 4.43Å; F732-K734 HydrophobicContact CE1-CG 4.04Å
735T35.5Very low32.8Very low145 Ų145132.9 Ų132.989%0.8978%0.784SS**  trans-142.1145.8142.5-30.80000110.8
736R33.4Very low32.7Very low246 Ų246128.6 Ų128.693%0.92878%0.777SS**  trans-81.9162.7166.4-69.1169.4164.7178.5-6.5109
737G30.2Very low32.9Very low70 Ų70131.7 Ų131.772%0.72278%0.783SS**  cis153.4-157.71.700000110.4
738S32.7Very low33.2Very low135 Ų135133.9 Ų133.994%0.94479%0.787SS**  trans85.5163.3179.9-152.90000116.6
739S29.1Very low33.6Very low116 Ų116128 Ų12881%0.81178%0.776SS**  trans-133.5149.6-158.956.20000113.4
740G32.5Very low33.7Very low82 Ų82134 Ų13485%0.84580%0.796SS**  trans-155.2121.1166.800000111.5
741S29.1Very low33.5Very low132 Ų132133.9 Ų133.992%0.92380%0.8SS**  trans-104.1135.7-177.554.90000112.2
742G31Very low33.3Very low82 Ų82136.8 Ų136.885%0.84581%0.805SS**  trans-148.1134.8170.200000110.9
743Q32.5Very low33.2Very low184 Ų184136.4 Ų136.486%0.8681%0.805SS**  trans-148.2178.2-173.9-147.7-158.2-40.400108.9
744P44.1Very low33.2Very low98 Ų98135.8 Ų135.864%0.63680%0.801SS**  -95.5-144.9-102.137.7-20.3000112
745P38.9Very low33.1Very low115 Ų115135.2 Ų135.275%0.74781%0.805SS**  -142.6-173.257.139.4-17.3000116.4
746D30.3Very low33Very low130 Ų130137.8 Ų137.870%0.69580%0.804SS**  trans-64.7158.4-171.4-45.9-96.3000116.8
747Q34.5Very low32.9Very low197 Ų197131.5 Ų131.592%0.92179%0.793SS**  -168.7150.7107.1-99.7150.7113.500115.6
748V34.6Very low32.9Very low129 Ų129135.8 Ų135.878%0.78280%0.799SS**  trans-107.8159176.5157.40000106.1
749P40.4Very low32.7Very low99 Ų99134.5 Ų134.564%0.64379%0.789SS**  cis-138.8175.432.220.87.1000119.1
750E31.2Very low32.7Very low174 Ų174135.4 Ų135.481%0.81379%0.789SS**  trans6133.6139.6-51.8159.5109.900120.1
751S30.8Very low32.9Very low111 Ų111136.8 Ų136.878%0.77679%0.786SS**  -176.3133.5122.431.40000114.8
752H31.3Very low33.2Very low159 Ų159135.1 Ų135.174%0.73677%0.772SS**  trans38128.4144-66.3-89.6000123.5
753E29.2Very low33Very low160 Ų160137.7 Ų137.775%0.74877%0.766SS**  trans37.8126.8130.5-61.5166.896.200119.2
754S32.8Very low32.8Very low116 Ų116136.3 Ų136.381%0.81176%0.759SS**  -163.2144.468.9-64.70000113.9
755L31.4Very low32Very low160 Ų160142.7 Ų142.784%0.83877%0.771SS**  trans-68.5141.1162-78.9163.6000110.8
756K33.7Very low31.5Very low199 Ų199141 Ų14187%0.86576%0.761SS**  trans-143.364.6159-132.2167.5-167.9170.20113.6L758K756-L758 PolarHBondContact O-N 2.9Å
757T30.6Very low31.4Very low113 Ų113142.7 Ų142.769%0.69377%0.765SS**  trans-47.6131.2153.1-45.60000109.9
758L30.7Very low31.5Very low160 Ų160142 Ų14284%0.83876%0.762SS**  trans-156.8134.1152.1-109.6175.3000110.5K756K756-L758 PolarHBondContact O-N 2.9Å
759C28Very low31.4Very low109 Ų109144.2 Ų144.274%0.73676%0.763SS**  trans-87136.3174.7-53.10000110.5
760T29.2Very low31.2Very low134 Ų134144.3 Ų144.382%0.82276%0.764SS**  trans-162.1128.7144.710.50000112
761S37.2Very low31Very low112 Ų112141.3 Ų141.378%0.78376%0.763SS**  trans-81.5141143.7176.10000106.7
762P34.5Very low31.1Very low96 Ų96140.4 Ų140.462%0.62376%0.762SS**  -153.3164.1111.440.7-24.2000116.8
763L26.4Very low31.3Very low137 Ų137138.6 Ų138.672%0.71776%0.764SS**  trans51.9124.1139.6-88.550.5000122.9
764Q29Very low31.5Very low155 Ų155138.4 Ų138.472%0.72477%0.767SS**  42.6112.4119.4-60.2176.9-17.100119.9
765R28.4Very low31.7Very low231 Ų231138.3 Ų138.387%0.87276%0.764SS**  159.2154.4119.7-90.8170173.6140.5-3110.5
766S27.1Very low31.5Very low79 Ų79134.7 Ų134.755%0.55276%0.757SS**  cis-179.7145.1-27.8490000108.5
767H29.5Very low31.3Very low166 Ų166129.8 Ų129.877%0.76975%0.748SS**  trans66.3160.7175.2-50-73.1000114
768E35Very low31.4Very low183 Ų183133.4 Ų133.486%0.85576%0.757SS**  cis-138.8154.59.5-148.2143.311900113.3
769E32.9Very low31.4Very low175 Ų175130.6 Ų130.682%0.81875%0.751SS**  trans-84.5-168.9168-118.3-170.172.600109
770P36Very low31.5Very low101 Ų101130.5 Ų130.566%0.65675%0.747SS**  cis-137.6-1706.532.9-8.8000116.1
771S28.1Very low31.6Very low112 Ų112131.1 Ų131.178%0.78375%0.745SS**  trans100.2116.7142.4-62.20000120.9
772A31.9Very low31.4Very low92 Ų92131.4 Ų131.476%0.7674%0.742SS**  trans-84-172.515500000109.5
773P37Very low31.5Very low120 Ų120134.3 Ų134.378%0.77975%0.751SS**  cis-140-166.410.343.3-22.3000116.6
774L32.8Very low32.4Very low156 Ų156133.4 Ų133.482%0.81775%0.754SS**  trans-34.7155.6161.2-69.7163.6000114.6
775P36.4Very low33Very low115 Ų115135.3 Ų135.375%0.74776%0.763SS**  cis-151.6166.841.143.4-23.4000120.4
776A27.1Very low33.3Very low84 Ų84132.8 Ų132.869%0.69476%0.76SS**  trans53.2147.4138.500000124.3
777S29Very low34.2Very low96 Ų96135.2 Ų135.267%0.67177%0.772SS**  trans102.7110.9147.1-48.80000119.9
778Q33.6Very low34.8Very low189 Ų189132.8 Ų132.888%0.88377%0.771SS**  trans68.3153.2141.2-59.5173.968.800119.6
779S30Very low34.9Very low100 Ų100130.2 Ų130.270%0.69977%0.768SS**  cis-170.7166.2-31.2-168.80000110.9
780T30.5Very low35.5Very low108 Ų108127.6 Ų127.666%0.66377%0.766SS**  trans8595.9145.1-49.80000121.6
781L31.1Very low35.9Very low147 Ų147128.5 Ų128.577%0.7777%0.772SS**  trans64.6168136.1-51.5177.6000119.4
782T32.8Very low36Very low118 Ų118128.7 Ų128.772%0.72477%0.773SS**  cis-155.3127.815.8-29.40000115.1
783L37.6Very low36.2Very low156 Ų156132.5 Ų132.582%0.81778%0.78SS**  trans55.1162.5148.3-87.172.6000125.9
784P45.1Very low36.1Very low119 Ų119136.7 Ų136.777%0.77378%0.78SS**  trans-135-156-167.148-29.6000115.4
785E41Very low36.1Very low195 Ų195137.9 Ų137.991%0.91178%0.779SS**  trans-136.8-177.1163.1-147.4170.8-178.400112.1
786E34.8Very low35.8Very low177 Ų177137.3 Ų137.383%0.82778%0.777SS**  trans-130.1-163.8-137.3-144.3-1679300117.9
787V47.2Very low36Very low131 Ų131141.2 Ų141.279%0.79479%0.786SS**  trans99.1134.1167.2-176.60000116.7
788P40.9Very low36Very low114 Ų114142.5 Ų142.574%0.7479%0.793SS**  -125.1179.9-125.245-36.4000118.9
789T36.8Very low36.5Very low130 Ų130139.1 Ų139.180%0.79879%0.788SS**  trans-128.1145.8179.3-55.60000110.6
790P45.5Very low36.9Very low119 Ų119142.9 Ų142.977%0.77380%0.796SS**  trans-65.7153.7-177.924.9-35.5000114.7
791P44.5Very low37.3Very low121 Ų121143 Ų14379%0.78680%0.799SS**  trans-88.5152.3-16234.1-37.2000115.4
792S30Very low37.7Very low115 Ų115142 Ų14280%0.80480%0.801SS**  trans-120.1141.7155.8740000109.4
793L37.5Very low37.7Very low172 Ų172147.9 Ų147.990%0.90181%0.81SS**  trans-125.7153.9-179.6-89.4167.3000112.2
794R33.5Very low37.8Very low208 Ų208150.4 Ų150.479%0.78581%0.814SS**  trans-140.9141.7-166.7-87.7-178.9168.3-172.6-0.8111.3
795K32.9Very low37.2Very low182 Ų182149.8 Ų149.879%0.79181%0.813SS**  trans57.9133.3151-60173.2176.4-171.60118.3
796S29.5Very low36.9Very low102 Ų102147 Ų14771%0.71381%0.808SS**  164.5169.590.761.10000114
797L31.2Very low36.9Very low167 Ų167146.3 Ų146.387%0.87481%0.805SS**  trans70.7145.1160-65.7164.3000119.5
798C30.9Very low36.3Very low123 Ų123149.3 Ų149.383%0.83181%0.808SS**  trans-113.8155.4-174.8-470000111.2
799P43.4Very low35.7Very low118 Ų118146.5 Ų146.577%0.76680%0.799SS**  trans-115.9130.9153.334-23.4000112.2
800M38.7Very low35.5Very low179 Ų179149.3 Ų149.388%0.88280%0.803SS**  trans-128.6122.5170.5-98.5-77.7113.200109.6
801P37.8Very low34.8Very low110 Ų110150.9 Ų150.971%0.71480%0.8SS**  trans-139.1166.6152.541.2-28.1000112.3
802P39.7Very low34.1Very low125 Ų125155.7 Ų155.781%0.81280%0.803SS**  -126.3171.8-62.635.2-20000112.4
803R33.4Very low34.2Very low242 Ų242157.1 Ų157.191%0.91380%0.796SS**  trans-60.3149.5179.2-62.7171.9174162.4-4113.7
804K39.1Very low33.9Very low210 Ų210156 Ų15691%0.91379%0.787SS**  -154.2152.5128.5-110161.6-172.7178.30112.6
805S32.8Very low33.9Very low106 Ų106153.5 Ų153.574%0.74178%0.783SS**  trans-84.5166.7-174.947.10000111.9
806V35.2Very low33.9Very low135 Ų135153.4 Ų153.482%0.81879%0.786SS**  -159.9171.377.1156.10000112
807Q33.9Very low34.2Very low163 Ų163152.4 Ų152.476%0.76278%0.784SS**  trans-97.5175.3-166.2-50.6156.9-68.700114.6
808K35.2Very low34.4Very low194 Ų194153.5 Ų153.584%0.84378%0.784SS**  trans73.8143.3164.2-57.5176.3179.6179.50116.1
809G28.8Very low34.7Very low55 Ų55156 Ų15657%0.56778%0.784SS**  cis123.4130.7-11.500000114.6
810H31.1Very low34.3Very low190 Ų190157.6 Ų157.688%0.8878%0.783SS**  trans67148.6-175.9-34.7-75.5000112.1
811H32.1Very low34.1Very low152 Ų152156.6 Ų156.670%0.70478%0.781SS**  cis-155.2173.724.4177.8-91.2000110.9
812W28.6Very low34Very low222 Ų222156.3 Ų156.384%0.84178%0.782SS**  trans-50.9160.4167.4-58.371.9000112
813Q32.5Very low33.9Very low144 Ų144156.2 Ų156.267%0.67378%0.781SS**  -175.5162.462.3-162.2166.3-38.900113.3
814E30.6Very low34Very low149 Ų149152.6 Ų152.670%0.69678%0.779SS**  trans43.2121.1157.7-84.4170.1107.900124.7
815H34.2Very low34Very low155 Ų155148 Ų14872%0.71877%0.771SS**  48.5126.5125.2-80.1-107.8000123
816Q33.7Very low34.4Very low181 Ų181149.9 Ų149.985%0.84678%0.777SS**  trans71.3140.1150.1-65.3173.9109.200117.1
817A35.7Very low34.4Very low81 Ų81148.6 Ų148.667%0.66977%0.774SS**  cis-154.4169.5-7.300000111.2
818E34.6Very low34.7Very low189 Ų189146 Ų14688%0.88377%0.771SS**  trans27.7110156.8-62.9179.5115.700120.7
819H38.2Very low34.9Very low177 Ų177142.5 Ų142.582%0.81977%0.768SS**  -152.3163.8122.5-154.7-99.7000112.3
820M34.3Very low35.4Very low151 Ų151149.1 Ų149.174%0.74478%0.776SS**  trans-66.5141.3177.3-56.7-76.291.800112.8
821D35.5Very low35.6Very low158 Ų158145.5 Ų145.585%0.84577%0.768SS**  -159.5171.8103.3-132-43.2000113.6
822S34.5Very low35.7Very low104 Ų104140.9 Ų140.973%0.72775%0.75SS**  trans-95.7174.2-168.8-59.50000114
823P37.1Very low35.9Very low122 Ų122135.5 Ų135.579%0.79274%0.741SS**  cis-126.8161.5-3.938.8-23.7000115.5
824L35.9Very low36Very low166 Ų166136.7 Ų136.787%0.86975%0.752SS**PPolyproline II helixtrans-89.6154.1170-79.8169.1000112.8
825P38.7Very low36.2Very low115 Ų115134.9 Ų134.975%0.74775%0.751SS**PPolyproline II helixtrans-80.4159.3-17132.3-36.7000115.2
826V41.3Very low35.9Very low145 Ų145138.4 Ų138.488%0.87976%0.758SS**PPolyproline II helixtrans-78.1137-175.7177.80000112.7
827S36Very low36Very low107 Ų107135 Ų13575%0.74875%0.751SS**  trans-116.7159.7168.6-63.20000110.5
828P39.4Very low35.8Very low108 Ų108137.8 Ų137.870%0.70175%0.75SS**  -127.1158.5-61.437-24.1000111.8R830P828-R830 PolarHBondContact O-N 2.86Å
829P40.9Very low35.9Very low121 Ų121134.8 Ų134.879%0.78675%0.747SS**  trans-72118.4176.228.8-33.4000112.1T831P829-T831 PolarHBondContact O-N 2.99Å; P829-T831 VanDerWaalsContact O-N 3.12Å
830R39.3Very low35.6Very low195 Ų195133.8 Ų133.874%0.73674%0.743SS**  trans-7295.2167.6-82-179.5161.5124.3-7.1110.7P828 V832P828-R830 PolarHBondContact O-N 2.86Å; R830-V832 PolarHBondContact O-N 3.06Å
831T33.8Very low35.7Very low114 Ų114131.9 Ų131.970%0.69974%0.742SS**  trans-85.485.3162.1-55.60000109.3P424 P829P424-T831 VanDerWaalsContact CD-O 3.27Å; P424-T831 WeakPolarHBondContact CD-O 3.3Å; P424-T831 WeakPolarHBondContact CG-O 3.22Å; P829-T831 PolarHBondContact O-N 2.99Å; P829-T831 VanDerWaalsContact O-N 3.12Å
832V34.5Very low35.4Very low55 Ų55130.5 Ų130.533%0.33374%0.743SS.*  trans-143.6155.6177.8-169.90000109.9W423 R830W423-V832 WeakPolarHBondContact O-CG1 3.02Å; R830-V832 PolarHBondContact O-N 3.06Å
833V33.8Very low35.1Very low108 Ų108131 Ų13166%0.65575%0.747SS**  trans77.272.4176.7-1620000114.7
834L35Very low35.2Very low170 Ų170131 Ų13189%0.8975%0.747SS**  trans-84.397.1137-79.7172.9000107.6
835T34.5Very low35Very low110 Ų110130.5 Ų130.568%0.67574%0.74SS**  trans-133.5118.8172.1-63.70000109.1P837T835-P837 WeakPolarHBondContact O-CD 3.42Å
836R27.8Very low35Very low229 Ų229132.4 Ų132.486%0.86475%0.749SS**  trans-34.4114.1-179.6-178.5-167.4-162.4173.35.5116.4
837P34.2Very low34.8Very low109 Ų109132.1 Ų132.171%0.70874%0.736SS**  trans-82.5136.1134.933.8-27.5000107.7T835T835-P837 WeakPolarHBondContact O-CD 3.42Å
838Q32.4Very low34.9Very low141 Ų141134.6 Ų134.666%0.65974%0.735SS**  cis39.199.429.7-154.4-172.923.500114.5Q840Q838-Q840 HydrophobicContact CG-CB 4.46Å
839P36.5Very low34.9Very low126 Ų126135.1 Ų135.182%0.81874%0.739SS**  trans-113.7101132.532.6-26.5000109.5
840Q32.3Very low34.5Very low155 Ų155136.1 Ų136.172%0.72474%0.737SS**  trans-84.9166.6147.5-116.3-167.8-27.100107.6Q838Q838-Q840 HydrophobicContact CG-CB 4.46Å
841P36Very low34.4Very low112 Ų112133.4 Ų133.473%0.72774%0.736SS**  trans-75.8146.6-145.230.6-38.4000114.1
842C29.6Very low34.3Very low129 Ų129133.9 Ų133.987%0.87274%0.735SS**  -170.8153.5120.8-103.90000111.5
843S27.5Very low34.4Very low114 Ų114137.1 Ų137.180%0.79775%0.749SS**  trans-86.8146.7179.2470000112.7
844P39.2Very low34.3Very low122 Ų122140.8 Ų140.879%0.79276%0.757SS**  trans-113.5104160.534-23.7000112
845Q31.6Very low34.2Very low155 Ų155138.4 Ų138.472%0.72475%0.745SS**  trans7.2117153.1-53.3179.71700119.4
846V39.3Very low34.4Very low155 Ų155139.5 Ų139.594%0.93975%0.746SS**  trans-122.4149.2140.7-179.40000107.3
847K37.5Very low34.6Very low139 Ų139135.9 Ų135.960%0.60475%0.745SS**  trans-121.6123.5-151.8-76.8-177178.2177.60115.4
848H37.2Very low34.4Very low160 Ų160135.1 Ų135.174%0.74174%0.742SS**  trans62.5167157.2-45.2-55.7000117.6
849P40.3Very low34.5Very low119 Ų119134.1 Ų134.177%0.77375%0.75SS**  cis-102.7149.1-18.711.810.9000112
850L32.8Very low34.2Very low141 Ų141133.5 Ų133.574%0.73875%0.749SS**  83.2135.657.6-116.8178.2000114
851L37Very low34.3Very low138 Ų138132 Ų13272%0.72376%0.756SS**  trans74.6140.5175.3-46.5174.5000115.4
852D32.3Very low34.3Very low125 Ų125134 Ų13467%0.66876%0.759SS**  cis-167.9169.5-16.1-119.1-8.4000113.7
853L36.1Very low34.7Very low123 Ų123133.7 Ų133.764%0.64476%0.755SS**  trans66.5126.5147.1-96.663000123.5
854F31.9Very low35.3Very low184 Ų184136.4 Ų136.481%0.80776%0.76SS**  trans56.6160.3153.5-65.3-69.5000119.6
855N33.2Very low35.1Very low121 Ų121134.4 Ų134.465%0.64776%0.761SS**  cis156.5167.2-24.2-179.331.1000106.2
856N38.2Very low35.6Very low132 Ų132134.7 Ų134.771%0.70677%0.767SS**  trans70.789172.3-57-31.3000116.7
857N32.5Very low35.7Very low154 Ų154136.1 Ų136.182%0.82476%0.763SS**  21.3153.1115.8-149.113.5000121.3
858S29.4Very low35.6Very low93 Ų93133 Ų13365%0.6577%0.771SS**  trans90.7138.4156.3-53.70000120.8
859S35.1Very low35.8Very low120 Ų120131.6 Ų131.684%0.83978%0.776SS**  trans79.7112.4152.7-58.60000120.6
860S29.1Very low35.6Very low112 Ų112131.8 Ų131.878%0.78378%0.78SS**  trans-50.8149.7163.950.40000116.3
861S34.2Very low35.8Very low125 Ų125128.4 Ų128.487%0.87478%0.779SS**  trans-158145146.7-81.50000111.5
862I36.8Very low35.8Very low154 Ų154129 Ų12979%0.7979%0.788SS**  trans-93.2134.9177.7-62.3169000109.2
863P36.8Very low36.1Very low122 Ų122127 Ų12779%0.79279%0.789SS**  trans-90.7104.6176.333.5-31.5000112.4
864L40.1Very low36.3Very low171 Ų171127.5 Ų127.590%0.89580%0.797SS**  trans-144.4149.1165.9-87.2175.8000110.6
865G35.9Very low36.6Very low80 Ų80126 Ų12683%0.82579%0.792SS**  trans112.8129.3173.100000114.3
866L42.2Very low36.9Very low160 Ų160131.2 Ų131.284%0.83880%0.803SS**  trans-120.6145-175.9-97.3161.2000111.3
867Q40.1Very low36.5Very low185 Ų185130.9 Ų130.986%0.86480%0.801SS**  trans67.2146.5158-62.1-179.734.400120.8
868G37.4Very low36.6Very low74 Ų74132.4 Ų132.476%0.76380%0.795SS**  trans112.383.2144.900000118
869P39.9Very low36.8Very low130 Ų130131.7 Ų131.784%0.84479%0.79SS**  trans-104.9141.1179.636.9-30.8000115
870S37.6Very low36.7Very low124 Ų124131.8 Ų131.887%0.86778%0.777SS**  trans-162.1143.6156.758.50000113.5
871G37Very low36.9Very low70 Ų70133.7 Ų133.772%0.72277%0.772SS**  trans85.392.6152.100000121
872V36.9Very low36.8Very low151 Ų151133.6 Ų133.692%0.91576%0.761SS**  32.3125.2105.3178.50000116.3
873A37.5Very low36.6Very low83 Ų83135.7 Ų135.769%0.68677%0.768SS**  cis-164.7179.717.600000114.7
874V39.6Very low36.1Very low133 Ų133134.8 Ų134.881%0.80676%0.763SS**  trans50.2107.6151.1179.80000117.7
875H38.8Very low35.4Very low153 Ų153131.4 Ų131.471%0.70875%0.753SS**  72.179.650.6-165.6-60.8000116.8
876R39.3Very low35.1Very low229 Ų229136.5 Ų136.586%0.86476%0.755SS**  trans-171.2139.1131.5-109.1173.1-175.8-164.2-0.1109.4
877N30.7Very low34.5Very low126 Ų126137 Ų13767%0.67475%0.753SS**  cis62.9132.347.2-99.5-16.7000113.1
878R35.3Very low34.1Very low185 Ų185133.9 Ų133.970%0.69875%0.749SS**  cis-173.9164.22.8-158.8-174-172.9-92.17109E880R878-E880 IonicContact NH1-OE2 3.95Å; R878-E880 PolarHBondContact NH1-OE2 3.46Å; R878-E880 VanDerWaalsContact NH1-OE2 3.14Å
879S33.4Very low33.8Very low78 Ų78135.3 Ų135.355%0.54574%0.742SS.*  trans65.7162.2149.6-76.10000118.2
880E32.4Very low33.3Very low122 Ų122135.8 Ų135.857%0.5774%0.737SS**  cis-170.6165.2-32.7-124.8167.293.200109.3R878R878-E880 IonicContact NH1-OE2 3.95Å; R878-E880 PolarHBondContact NH1-OE2 3.46Å; R878-E880 VanDerWaalsContact NH1-OE2 3.14Å
881K33.2Very low33.3Very low152 Ų152135.4 Ų135.466%0.66173%0.732SS**  trans80.2144.9145.2-87.3-177.6172.758.90123.2
882D31.3Very low33.1Very low123 Ų123138.5 Ų138.566%0.65873%0.731SS**  trans60.3103.8145.4-50.9-16.2000121.8
883Q33.5Very low33Very low198 Ų198139.6 Ų139.693%0.92573%0.726SS**  -165.3167.2126.6-106.6144.4107.100111.4
884C27Very low32.7Very low104 Ų104139.4 Ų139.470%0.70372%0.72SS**  trans-126.7168.4-173.189.10000113.4
885C25.2Very low32.5Very low99 Ų99141 Ų14167%0.66972%0.724SS**  trans80.8126.8146.6-51.20000119.1
886Q29.9Very low32.3Very low187 Ų187137.3 Ų137.387%0.87473%0.728SS**  trans80114.4161.9-54.9-177.922.500119.4
887E28.2Very low32Very low171 Ų171134.7 Ų134.780%0.79973%0.731SS**  trans40.3137.1134.6-141.2161.1137.600120.9V889E887-V889 HydrophobicContact CG-CG2 3.81Å
888P33.1Very low32.3Very low119 Ų119132.3 Ų132.377%0.77374%0.736SS**  cis-116.3157.924.613.512000114.8
889V30.2Very low32.1Very low104 Ų104130 Ų13063%0.6374%0.743SS**  75.391.954.8-177.60000114.8E887E887-V889 HydrophobicContact CG-CG2 3.81Å
890L29.1Very low32.2Very low141 Ų141134.2 Ų134.274%0.73876%0.758SS**  trans57.5165.6140.3-62.9-178.5000119.6L892L890-L892 HydrophobicContact CD2-CB 4.43Å
891P37.7Very low32.4Very low116 Ų116136.2 Ų136.275%0.75377%0.768SS**  cis-116.1160.64.244.9-31.8000112.9
892L33.6Very low32.5Very low135 Ų135135.5 Ų135.571%0.70777%0.771SS**  63.894.250.5-168.759.8000109.5L890L890-L892 HydrophobicContact CD2-CB 4.43Å
893E33.8Very low32.5Very low173 Ų173134.5 Ų134.581%0.80877%0.774SS**  17216095.8-81.7-152.3126.300108.3
894S32Very low32.6Very low80 Ų80133.1 Ų133.156%0.55977%0.772SS**  cis-170152.7-7.4164.60000110.4
895N34.7Very low32.9Very low165 Ų165136.3 Ų136.388%0.88278%0.777SS**  trans61135.5160.7-67.9-24.5000122.4
896G34.4Very low33.1Very low77 Ų77137 Ų13779%0.79478%0.782SS**  trans132.778.3142.500000116.9
897D33.7Very low33.1Very low173 Ų173134.2 Ų134.293%0.92578%0.778SS**  trans-36.7133.5-176.5-63.2-41.5000117.2
898G36.9Very low33.4Very low76 Ų76133.4 Ų133.478%0.78478%0.779SS**  trans-84.7146.1179.700000114.1
899T30.3Very low33.3Very low137 Ų137134.8 Ų134.884%0.8478%0.778SS**  trans-60.9141.8160.9500000111.4
900L35.6Very low33.6Very low166 Ų166134.1 Ų134.187%0.86978%0.784SS**  trans-162.3151.6130.8-112.1174000112.7
901Q37Very low33.8Very low164 Ų164133.5 Ų133.577%0.76679%0.786SS**  trans-72.9158.2159.1-66.1153.2-39.800107.3
902D35.1Very low34Very low137 Ų137134 Ų13473%0.73379%0.787SS**  cis-164.2166.443.7-141.1-41.2000113.7
903S31.9Very low34.2Very low103 Ų103134.1 Ų134.172%0.7279%0.788SS**  trans-16.4127.3165.9-51.70000119.8
904L35.2Very low34.2Very low168 Ų168131.3 Ų131.388%0.8879%0.787SS**  trans-157163.8134.2-112.6174.9000113.2
905Q32.6Very low34.6Very low172 Ų172133.1 Ų133.180%0.80480%0.795SS**  trans-94.4136-159-57.5158.33.600113.8
906S31.2Very low34.7Very low113 Ų113129.8 Ų129.879%0.7979%0.791SS**  174.5141.4122.2-810000115.2
907V30Very low34.9Very low128 Ų128132.5 Ų132.578%0.77679%0.785SS**  trans29.4116.9144.3-173.80000119.6
908D33.1Very low34.8Very low155 Ų155130.6 Ų130.683%0.82978%0.781SS**  -153.7171.7118.1-141.4-21.6000113.4
909I30.8Very low34.7Very low147 Ų147133.1 Ų133.175%0.75478%0.775SS**  trans-104.6116.4-163.9-59.4172.5000111.6
910A37.7Very low34.5Very low90 Ų90131.1 Ų131.174%0.74477%0.773SS**  trans-111110.517600000112.7V912A910-V912 PolarHBondContact O-N 2.96Å
911T33.8Very low34.5Very low128 Ų128130.4 Ų130.479%0.78577%0.769SS**  trans-76.5112.1173.6-58.10000111.1
912V41.7Very low34.4Very low127 Ų127128.9 Ų128.977%0.7777%0.771SS**  trans-104.5117.8175.8-170.80000110.5A910A910-V912 PolarHBondContact O-N 2.96Å
913N36.6Very low34.3Very low137 Ų137128.1 Ų128.173%0.73378%0.777SS**  trans-66.9133.7-179.5-72.5-45.1000111.9T915N913-T915 PolarHBondContact O-N 3.48Å; N913-T915 VanDerWaalsContact O-N 3.09Å
914S33.3Very low34.6Very low114 Ų114132.4 Ų132.480%0.79779%0.785SS**  trans-78.391.9179.5-64.80000112.1A916S914-A916 PolarHBondContact O-N 3Å
915T40.6Very low34.6Very low118 Ų118133.5 Ų133.572%0.72479%0.786SS**  trans-75.8106175.3-54.10000111.2N913 I917N913-T915 PolarHBondContact O-N 3.48Å; N913-T915 VanDerWaalsContact O-N 3.09Å; T915-I917 HydrophobicContact CG2-CG1 4.43Å; T915-I917 PolarHBondContact O-N 3.08Å
916A37.1Very low34.8Very low95 Ų95130.6 Ų130.679%0.78578%0.782SS**  trans-75110.8172.900000110.8S914 T918S914-A916 PolarHBondContact O-N 3Å; A916-T918 PolarHBondContact O-N 3.01Å
917I39.3Very low34.9Very low134 Ų134131.5 Ų131.569%0.68777%0.774SS**  trans-91.3103178.7-51-180000109.9T915 L919T915-I917 HydrophobicContact CG2-CG1 4.43Å; T915-I917 PolarHBondContact O-N 3.08Å; I917-L919 HydrophobicContact CG2-CD2 3.81Å; I917-L919 HydrophobicContact CG2-CG 3.92Å; I917-L919 PolarHBondContact O-N 3.34Å
918T31.5Very low34.9Very low134 Ų134132.8 Ų132.882%0.82276%0.764SS**  trans-75.2105.2170.3-56.30000109.9A916A916-T918 PolarHBondContact O-N 3.01Å
919L33.9Very low34.8Very low128 Ų128130.1 Ų130.167%0.6776%0.758SS**  trans-104.8106.2169.9-62.7-177.1000110.2I917 L921I917-L919 HydrophobicContact CG2-CD2 3.81Å; I917-L919 HydrophobicContact CG2-CG 3.92Å; I917-L919 PolarHBondContact O-N 3.34Å; L919-L921 HydrophobicContact CB-CG 4.27Å; L919-L921 PolarHBondContact O-N 2.8Å
920A27.6Very low34.9Very low95 Ų95130.4 Ų130.479%0.78576%0.756SS**  trans-78.1108.816300000108.3
921L35Very low34.6Very low151 Ų151133.4 Ų133.479%0.79176%0.755SS**  trans-113.397.4178-68.8176.5000110.1L919L919-L921 HydrophobicContact CB-CG 4.27Å; L919-L921 PolarHBondContact O-N 2.8Å
922T35.4Very low34.7Very low133 Ų133138 Ų13882%0.81676%0.758SS**  trans-85.8109.4166.6470000109.7
923S31.2Very low34.2Very low121 Ų121135.7 Ų135.785%0.84676%0.76SS**  trans14105.8155.5-175.80000118.3
924E38.2Very low33.9Very low193 Ų193133 Ų13390%0.90276%0.764SS**  trans-128.1143.6149.6-85.3-164.9113.100109.8
925E36.2Very low33.7Very low190 Ų190131.6 Ų131.689%0.88877%0.768SS**  trans-123.7126.4171.5-171.4174.4119.100107.7
926P36.3Very low33.2Very low112 Ų112131.9 Ų131.973%0.72777%0.774SS**  trans-104.9177.6-160.339.7-38000116.4
927E33.9Very low32.9Very low132 Ų132134.7 Ų134.762%0.61777%0.771SS**  trans90.7144.6167.8-53.1-15591.100117.2
928R31Very low32.7Very low154 Ų154137.8 Ų137.858%0.58177%0.774SS**  cis-144.4166.56.6-147.5168.7-98.2163.30.6112.9
929S30.2Very low32.8Very low99 Ų99137.7 Ų137.769%0.69277%0.774SS**  trans-62.2170.4177.352.90000114.2
930Q32.1Very low33Very low154 Ų154134.7 Ų134.772%0.7277%0.774SS**  cis-162.5176.335.9-165.7164.5-2.400114.1
931E32.9Very low33.2Very low152 Ų152135.6 Ų135.671%0.7178%0.775SS**  trans-45.9174.7166.2-69.9165.1107.600115
932W35.8Very low33.1Very low225 Ų225133.9 Ų133.985%0.85278%0.775SS**  cis-138.3160.129.3-55.158.8000108.9
933G31.3Very low33.2Very low79 Ų79133 Ų13381%0.81478%0.775SS**  cis91.6116.335.700000110.3
934G29Very low33.4Very low79 Ų79131.5 Ų131.581%0.81478%0.778SS**  cis177.4172.4-4.800000112.2
935G28.6Very low33.1Very low85 Ų85126.3 Ų126.388%0.87678%0.776SS**  trans83158.4177.600000115.3
936S31.2Very low33Very low124 Ų124125.4 Ų125.487%0.86777%0.772SS**  cis-149.8-179.6-2.9-164.30000111.7
937Q31.5Very low33.4Very low154 Ų154125.9 Ų125.972%0.7277%0.773SS**  trans-69177.3-178.5-51.5-179.8-2.600111.9
938R34.2Very low33.7Very low199 Ų199121.9 Ų121.975%0.75176%0.758SS**  cis-178.6155.437.9-150.4168.9-159.2-113.56.8113
939T34.4Very low33.9Very low132 Ų132119.4 Ų119.481%0.8176%0.76SS**  trans61.5145.1157.929.90000119.9
940G36.8Very low34.2Very low66 Ų66117.4 Ų117.468%0.6876%0.755SS**  cis167.5167.6-10.100000115.7
941S32.1Very low34.3Very low113 Ų113114.6 Ų114.679%0.7976%0.758SS**  trans81.6129.8151.5-54.70000124.5
942S33.9Very low34.3Very low115 Ų115112.3 Ų112.380%0.80476%0.759SS**  trans69.1150.6142.9550000122.1
943S36.7Very low34.4Very low115 Ų115108.5 Ų108.580%0.80476%0.755SS**  cis-174.6145.7-14.651.60000114.5
944G34.2Very low34.6Very low89 Ų89112.7 Ų112.792%0.91875%0.753SS**  trans74.2158.1163.600000117.4
945G32Very low35Very low84 Ų84112.6 Ų112.687%0.86675%0.745SS**  cis156.7158.2-1.900000109.7
946H35.1Very low35.4Very low172 Ų172114.2 Ų114.280%0.79674%0.743SS**  cis-164.1143.9-4.4-175.7-38.3000109.5
947V44Very low35.7Very low122 Ų122113.5 Ų113.574%0.73974%0.744SS**  trans-108.7144.2-175.9171.70000113
948P40.6Very low35.9Very low48 Ų48109 Ų10931%0.31274%0.739SS.*  -158.5-152.6119.540.9-17.9000116.4R224R224-P948 HydrophobicContact CG-CG 3.82Å; R224-P948 VanDerWaalsContact NE-CG 3.33Å
949T35.9Very low36.2Very low102 Ų102108.7 Ų108.763%0.62675%0.746SS**  trans-139.2177.5-133.1-40.90000115.4R224 Q225R224-T949 CarbonylContact C-O 3.58Å; R224-T949 WeakPolarHBondContact CA-O 3.5Å; Q225-T949 PolarHBondContact N-O 2.75Å
950G36.1Very low36Very low56 Ų56113.6 Ų113.658%0.57775%0.749SS**  trans149.7144.4159.400000111.3
951A34.9Very low35.7Very low96 Ų96115.3 Ų115.379%0.79375%0.751SS**  cis-148.5-166.5-800000107.3
952S33Very low36.2Very low104 Ų104115.2 Ų115.273%0.72775%0.748SS**  cis-156.4-156.39.8470000107.3
953L37.6Very low36Very low145 Ų145115 Ų11576%0.75975%0.746SS**  cis-151.2-95.17-167.664.9000113.9
954E35.6Very low36Very low166 Ų166115.3 Ų115.378%0.77675%0.748SS**  trans-143160.9-156.9-89.5172.581.200114.1
955A36.8Very low35.8Very low78 Ų78116.9 Ų116.965%0.64574%0.74SS**  cis-158.7174.3-0.500000112.9
956S36.5Very low36.2Very low119 Ų119121.2 Ų121.283%0.83274%0.737SS**  trans76.6103.8170.4-50.20000116.7
957A37.5Very low36.2Very low108 Ų108117.2 Ų117.289%0.89373%0.729SS**  89125.355.700000114.1
958G36.2Very low35.9Very low60 Ų60118.8 Ų118.862%0.61973%0.733SS**  cis179.5-171.2-3.800000115.1
959H39.5Very low36.1Very low193 Ų193119.8 Ų119.889%0.89475%0.752SS**  trans70.3152.5170.9-46.7-84.2000119.2
960R30.9Very low36.4Very low235 Ų235120.7 Ų120.789%0.88775%0.753SS**  cis-166144.9-39-159-168.4-175.6-173.42.1109.6
961S31.2Very low36.8Very low101 Ų101126 Ų12671%0.70676%0.761SS**  trans-109.5-164.1171.3-46.10000110.3
962P41.2Very low37.4Very low112 Ų112129.8 Ų129.873%0.72776%0.759SS**  cis-144.2-176.1-5.244.3-24.4000117.4
963S31.5Very low37.7Very low111 Ų111135.9 Ų135.978%0.77677%0.766SS**  trans22.6136.5145.3650000124.9
964S35.1Very low37.8Very low121 Ų121139.2 Ų139.285%0.84677%0.768SS**  trans-145178.6157.157.30000111.7
965T30.9Very low37.5Very low122 Ų122135.8 Ų135.875%0.74876%0.763SS**  trans-146.9-178.1-162.850.50000114.9
966H40Very low37.5Very low174 Ų174136.6 Ų136.681%0.80676%0.764SS**  trans75.1152.5168.7-76.9-71.7000118.5
967S34.7Very low37.6Very low89 Ų89138.5 Ų138.562%0.62276%0.763SS**  cis-161.5155.7-21-141.40000112.2
968D38.1Very low37.3Very low154 Ų154139.6 Ų139.682%0.82476%0.759SS**  trans58157152.6-112-61.4000123
969G44.7Very low37.4Very low69 Ų69142.7 Ų142.771%0.71177%0.771SS**  trans172.9-17.717900000120.8
970N42.1Very low37.3Very low122 Ų122137.8 Ų137.865%0.65276%0.764SS**  trans41.9103.5157.2-173.415.3000121
971K44.9Very low37.7Very low168 Ų168133.9 Ų133.973%0.7376%0.76SS**  176.1123121.5-96149.1-162.2163.40117.6
972K46.5Very low38.1Very low174 Ų174132.4 Ų132.476%0.75776%0.761SS**  trans65.8125.4133.3-73.2-175.6177.4-178.70123.1
973R40.6Very low38.5Very low232 Ų232133.8 Ų133.888%0.87576%0.762SS**  trans75.5158.7150.8-63.1-172.6-146.2-125.811.4118.9
974R39.1Very low39.4Very low215 Ų215135.9 Ų135.981%0.81176%0.756SS**  cis-174.7129-38.7-160.4-169.4-170.9-158.24.1108.3
975S30.3Very low40.2Very low95 Ų95138.9 Ų138.966%0.66475%0.754SS**  trans55.8-177.815363.10000120.3
976S35.4Very low40.9Very low95 Ų95140.1 Ų140.166%0.66476%0.755SS**  trans76.892.8154.620.10000119
977I39.7Very low41.2Very low158 Ų158141.3 Ų141.381%0.8176%0.759SS**  -8.9154.5123.332.1173.6000117.7
978T31.6Very low41.6Very low131 Ų131141.8 Ų141.880%0.80476%0.762SS**  trans82.6123.5177.273.20000116.8
979S37.4Very low41.7Very low125 Ų125138.8 Ų138.887%0.87476%0.759SS**  trans-164.555.9159.2-81.30000111.2
980A37.6Very low41.5Very low90 Ų90144.2 Ų144.274%0.74477%0.771SS**  trans-65166.8139.600000108.3
981L38.8Very low41.1Very low153 Ų153141.6 Ų141.680%0.80177%0.772SS**  trans82.538.4-172.7-48.6173.4000116.7
982G39.1Very low41.1Very low71 Ų71142.9 Ų142.973%0.73278%0.781SS**SBendtrans-77.6-23.6168.300000115.8
983L49.5Very low41Very low141 Ų141141.3 Ų141.374%0.73879%0.786SS**SBendtrans-103.4-7.3-167.9-66.8175.4000115.7K985L983-K985 PolarHBondContact O-N 3.45Å
984K50.8Low41.3Very low154 Ų154136.3 Ų136.367%0.6778%0.783SS**THydrogen-bonded Turntrans-77.519.3-178.8-112-176.7179.3-176.30114.6
985K52.1Low41.5Very low184 Ų184133.9 Ų133.980%0.878%0.781SS**THydrogen-bonded Turntrans-125.4-3.5178.3-81.8-170174.8-178.30116.6L983L983-K985 PolarHBondContact O-N 3.45Å
986L46Very low42.5Very low148 Ų148135.1 Ų135.178%0.77579%0.787SS**THydrogen-bonded Turntrans-87.1-7.6173.9-68.4178000114
987F47.2Very low43Very low200 Ų200141 Ų14188%0.87780%0.795SS**THydrogen-bonded Turntrans-107.815.6179-71.2-75.9000113.9
988S42.3Very low43.5Very low98 Ų98142.3 Ų142.369%0.68580%0.802SS**SBendtrans-118.117.9-172.7-49.30000114.2
989A40.5Very low44Very low92 Ų92139 Ų13976%0.7679%0.794SS**SBendtrans-123.69.6-175.400000114.3
990L39.7Very low44.4Very low183 Ų183139.4 Ų139.496%0.95879%0.794SS**SBendtrans-131.374.5179.9-147.781.5000110.5
991G33.7Very low44.6Very low67 Ų67141 Ų14169%0.69180%0.799SS**  trans-162.742.2-168.100000116.3
992H45.1Very low44.9Very low195 Ų195145.4 Ų145.490%0.90381%0.805SS**  trans-143.584.2174-76.9-72.1000113.5
993T44.4Very low45Very low140 Ų140147.6 Ų147.686%0.85981%0.809SS**  trans-141.6143.3146.545.20000109.6
994P47.2Very low44.4Very low127 Ų127152.1 Ų152.183%0.82582%0.818SS**PPolyproline II helixtrans-91.1146.8-170-4.925.4000113.5
995Q42.9Very low44Very low164 Ų164150.6 Ų150.677%0.76683%0.827SS**PPolyproline II helixtrans-89.9129.7169.4-178.4-161.557.400110.9
996P51.5Low43.6Very low122 Ų122147.5 Ų147.579%0.79282%0.823SS**PPolyproline II helixtrans-87.4136.8158.432.8-29.2000110.9
997R45.4Very low43.4Very low219 Ų219148.2 Ų148.283%0.82682%0.822SS**PPolyproline II helixtrans-97128.7-173.8-54.7169.8-178.2164.4-3.2112.5
998L50.2Low43.2Very low185 Ų185145.6 Ų145.697%0.96981%0.813SS**  trans-156.9148.5148.1-69.4-176.6000105.7
999G42.6Very low43.1Very low61 Ų61148.5 Ų148.563%0.62982%0.82SS**  cis163.2125.3-0.100000106.4
1000P46.5Very low43.1Very low134 Ų134152.5 Ų152.587%0.8782%0.823SS**  trans-80.6145.3-162.931.1-35.6000113.4
1001S41.4Very low43Very low122 Ų122150.1 Ų150.185%0.85382%0.818SS**  trans-147.3119.6168.9-72.20000111.4
1002R45.2Very low43.1Very low247 Ų247152.4 Ų152.493%0.93282%0.824SS**  trans-76.4144.5161.5-67.3174.2168-170.4-3.1108.8
1003S40Very low42.5Very low117 Ų117147 Ų14782%0.81881%0.813SS**  trans-176.6138.2130.146.50000112.2
1004Y37.1Very low42.2Very low235 Ų235149 Ų14992%0.92282%0.817SS**  trans-74.7145.1154.4-71.6-118000108.5
1005S43.3Very low41.9Very low122 Ų122147 Ų14785%0.85381%0.812SS**  -162.2163.2117.1-159.10000110.8
1006V43Very low41.6Very low119 Ų119144.3 Ų144.372%0.72181%0.808SS**  trans-103166.3176.8177.30000108.8
1007E42.9Very low41.1Very low163 Ų163146.6 Ų146.676%0.76281%0.809SS**  trans97.9155.7145.6-127.8169.3-10500120.4
1008Q42.8Very low40.6Very low146 Ų146142 Ų14268%0.68281%0.805SS**  trans83.998.1159.6-63.7-16513.200122.5
1009L40Very low40Very low159 Ų159139 Ų13983%0.83280%0.799SS**  95.9134.3126.5-62169.2000120.6
1010Q40.2Very low40.1Very low175 Ų175141.7 Ų141.782%0.81880%0.804SS**  trans-88.2167.7161.8-63.3-179.1-13.100109.9
1011P37.9Very low39.9Very low133 Ų133140.8 Ų140.886%0.86480%0.798SS**  -131.1176.5113.113.47.4000114
1012S35.4Very low39.9Very low115 Ų115144 Ų14480%0.80480%0.797SS**  trans-99176.4-168.8-160.80000114.6
1013A33Very low40.2Very low81 Ų81138.4 Ų138.467%0.66979%0.79SS**  trans-56.7154-171.500000116.7
1014L37.5Very low40.3Very low182 Ų182141.5 Ų141.595%0.95379%0.788SS**  -158.2169.7100.6-98.3163.9000111.2
1015A40.6Very low40.4Very low86 Ų86140.9 Ų140.971%0.71178%0.784SS**  trans-107.5-175.1-169.800000110.9
1016P36.4Very low40.5Very low107 Ų107139.3 Ų139.370%0.69578%0.779SS**  cis-136.8162.6-1.537.6-19000116.6
1017Q41.2Very low40.5Very low171 Ų171139 Ų13980%0.79978%0.78SS**  176.8143.4112.7-94.9176.777.700114.5
1018T34.7Very low40.5Very low122 Ų122135.8 Ų135.875%0.74878%0.775SS**  trans35.484.6152.959.20000121.1
1019S38.7Very low40.3Very low121 Ų121134.4 Ų134.485%0.84677%0.771SS**  174.6126115.242.20000112.8
1020T44Very low40.8Very low119 Ų119134.7 Ų134.773%0.7377%0.769SS**  trans-143.6171.1179.758.70000107.9
1021P42.3Very low40.7Very low115 Ų115132.3 Ų132.375%0.74777%0.766SS**  cis-117.9141.410.515.39.9000114.8
1022K41.5Very low40.7Very low189 Ų189134.1 Ų134.182%0.82277%0.768SS**  72105.177.1-70.5-176.8175176.30115.8
1023V51.3Low40.9Very low130 Ų130137.2 Ų137.279%0.78877%0.769SS**  trans-88.1170.8160.4-84.50000111.9
1024K42Very low41.1Very low181 Ų181140.9 Ų140.979%0.78778%0.776SS**  trans75149.2179.8-56160.7-178.5170.60111.8
1025R40.8Very low41.3Very low222 Ų222138.5 Ų138.584%0.83877%0.769SS**  cis-145.515818.9-158.892172.4-169.43.6109.6
1026A44.5Very low41.1Very low90 Ų90139.5 Ų139.574%0.74477%0.771SS**  trans-66.6150.3161.100000110.2
1027P42.2Very low41.2Very low113 Ų113139.6 Ų139.673%0.73477%0.774SS**  -152.5-179.1101.440.5-23.3000116.3
1028S43.1Very low41.1Very low95 Ų95135.5 Ų135.566%0.66477%0.765SS**  trans64.1119.815060.30000120.8Q1030S1028-Q1030 PolarHBondContact O-N 3.47Å
1029L38.5Very low41.4Very low116 Ų116137.8 Ų137.861%0.60777%0.767SS**  trans-56.1123.4147.8-69.8-178.9000110.8D437D437-L1029 WeakPolarHBondContact OD1-CD1 3.44Å; D437-L1029 WeakPolarHBondContact OD1-CG 3.25Å
1030Q50.2Low41.8Very low165 Ų165140.2 Ų140.277%0.77176%0.764SS**  trans-160.3132.4151.4-121.3142.6108.100113.9S1028S1028-Q1030 PolarHBondContact O-N 3.47Å
1031T39.3Very low41.7Very low125 Ų125143.4 Ų143.477%0.76777%0.771SS**  trans47.6105.9158.642.50000119.3H1033T1031-H1033 PolarHBondContact O-N 3.19Å
1032L37.3Very low41.8Very low171 Ų171149.4 Ų149.490%0.89578%0.779SS**  trans-44.7128.9150.6-64.3163.2000111.3
1033H39.9Very low41.7Very low180 Ų180151.6 Ų151.683%0.83378%0.782SS**  trans-130.3117.8156.3-118.5-104.8000110T1031T1031-H1033 PolarHBondContact O-N 3.19Å
1034L38Very low41.3Very low158 Ų158150.4 Ų150.483%0.82779%0.786SS**  trans-103.5110.2-169.1-159.885.2000109.7
1035V40.9Very low41.2Very low132 Ų132147.6 Ų147.680%0.878%0.784SS**  trans-133134.9168.1-175.50000109
1036S36Very low41.3Very low107 Ų107141.1 Ų141.175%0.74877%0.773SS**  trans-136.2133.9178.1-50.70000110.4
1037S39.6Very low41.2Very low109 Ų109147.2 Ų147.276%0.76278%0.783SS**  trans-134.693160.241.10000106.9
1038S38.7Very low41.6Very low86 Ų86150.1 Ų150.160%0.60179%0.786SS**  65.7120.483.373.60000113.4
1039H41.7Very low41.4Very low170 Ų170150.6 Ų150.679%0.78778%0.782SS**  -165.1163.9107.2-90.9-50.6000111.5
1040Q45.1Very low41.5Very low171 Ų171151.4 Ų151.480%0.79979%0.786SS**  trans47.4105.9162-64.5170.78.600118.4
1041H43.5Very low41.1Very low187 Ų187151.7 Ų151.787%0.86679%0.787SS**  -154.6161.3108.5-99.8-75.4000109.4
1042R43.1Very low41.3Very low241 Ų241149.8 Ų149.891%0.90978%0.778SS**  trans-68.6140-154.3-62.4175.9-173.4173.32.3114.1
1043R39.6Very low41.6Very low234 Ų234148.3 Ų148.388%0.88377%0.771SS**  trans-70136.7156.6-71.1175.5172.3165.1-4.8109
1044A43.3Very low42Very low106 Ų106146.6 Ų146.688%0.87677%0.767SS**  trans-121115.215500000107.2
1045T40.5Very low41.9Very low121 Ų121142.3 Ų142.374%0.74276%0.761SS**  trans-104.9118.9-17345.50000111.2
1046S43.4Very low41.8Very low87 Ų87139.2 Ų139.261%0.60876%0.756SS**  trans-153.3102150.9-173.20000111.2Q1048S1046-Q1048 VanDerWaalsContact C-N 3.29Å; S1046-Q1048 PolarHBondContact OG-N 3.02Å
1047F40.4Very low42.1Very low217 Ų217144.9 Ų144.995%0.95277%0.767SS**  trans-99.339.6161.1-70.2-76.4000109.9
1048Q50.8Low42.4Very low174 Ų174142.4 Ų142.481%0.81376%0.759SS**  trans-140.958.7-175-65.9-170.56.600112.7S1046S1046-Q1048 VanDerWaalsContact C-N 3.29Å; S1046-Q1048 PolarHBondContact OG-N 3.02Å
1049N39.5Very low42.8Very low106 Ų106144 Ų14457%0.56776%0.761SS**  trans-155.314.4161.4-135-26.7000116.8S1052N1049-S1052 PolarHBondContact O-N 2.82Å; N1049-S1052 VanDerWaalsContact OD1-CB 3.32Å; N1049-S1052 WeakPolarHBondContact OD1-CB 3.35Å; N1049-S1052 PolarHBondContact OD1-OG 3.03Å
1050L41.9Very low43.1Very low133 Ų133145.3 Ų145.370%0.69676%0.759SS**SBendtrans-78.5-17.6-179.1-67.2-179000114.2S1052 L1053L1050-S1052 VanDerWaalsContact C-N 3.25Å; L1050-S1052 PolarHBondContact O-N 3.25Å; L1050-L1053 HydrophobicContact CD2-CD1 4.24Å; L1050-L1053 PolarHBondContact O-N 2.83Å
1051H41.2Very low43.3Very low170 Ų170140.2 Ų140.279%0.78774%0.742SS**G310 helixtrans-64.8-30.5172.2-72.1-81.3000112.4L1053 L1054H1051-L1053 VanDerWaalsContact C-N 3.25Å; H1051-L1053 PolarHBondContact O-N 3.34Å; H1051-L1054 PolarHBondContact O-N 3.27Å; H1051-L1054 VanDerWaalsContact O-N 3.17Å
1052S43.8Very low43.8Very low85 Ų85134.6 Ų134.659%0.59472%0.724SS**G310 helixtrans-70.8-18.3177.2-49.40000113.7N1049 L1050N1049-S1052 PolarHBondContact O-N 2.82Å; N1049-S1052 VanDerWaalsContact OD1-CB 3.32Å; N1049-S1052 WeakPolarHBondContact OD1-CB 3.35Å; N1049-S1052 PolarHBondContact OD1-OG 3.03Å; L1050-S1052 VanDerWaalsContact C-N 3.25Å; L1050-S1052 PolarHBondContact O-N 3.25Å
1053L42.9Very low44.3Very low140 Ų140129.5 Ų129.573%0.73371%0.714SS**G310 helixtrans-95.1-1.6173.8-76167.9000113.3L1050 H1051L1050-L1053 HydrophobicContact CD2-CD1 4.24Å; L1050-L1053 PolarHBondContact O-N 2.83Å; H1051-L1053 VanDerWaalsContact C-N 3.25Å; H1051-L1053 PolarHBondContact O-N 3.34Å
1054L48.7Very low44.6Very low145 Ų145128.3 Ų128.376%0.75971%0.711SS**SBendtrans-101.8-0.8174.8-80.3158.1000113H1051H1051-L1054 PolarHBondContact O-N 3.27Å; H1051-L1054 VanDerWaalsContact O-N 3.17Å
1055G36.1Very low45Very low67 Ų67129.5 Ų129.569%0.69170%0.702SS**SBendtrans-97.5-5.8-178.400000116.2
1056G38.6Very low45.8Very low68 Ų68130.7 Ų130.770%0.70171%0.709SS**  trans-99.4107.1-176.600000112.9G1058G1056-G1058 PolarHBondContact O-N 2.69Å
1057K41.2Very low46.1Very low225 Ų225135.4 Ų135.498%0.97872%0.721SS**  trans-68.8110172-68.9174.8179.8174.60110
1058G47.2Very low46Very low58 Ų58128.6 Ų128.660%0.59871%0.712SS**  trans-164.1115.6173.200000109.9G1056 R1060G1056-G1058 PolarHBondContact O-N 2.69Å; G1058-R1060 PolarHBondContact O-N 2.88Å; G1058-R1060 VanDerWaalsContact O-N 3.11Å
1059D46.1Very low45.7Very low119 Ų119126 Ų12664%0.63671%0.713SS**  trans-79100-169.3-164.4-22.2000111.8S1061 S1062D1059-S1061 PolarHBondContact O-N 2.86Å; D1059-S1061 VanDerWaalsContact OD1-CB 3.24Å; D1059-S1061 WeakPolarHBondContact OD1-CB 3.48Å; D1059-S1061 PolarHBondContact OD1-N 3.08Å; D1059-S1061 PolarHBondContact OD1-OG 2.97Å; D1059-S1061 PolarHBondContact OD2-OG 2.76Å; D1059-S1062 PolarHBondContact O-N 3.39Å; D1059-S1062 PolarHBondContact O-OG 3.05Å
1060R48.8Very low45.6Very low197 Ų197124 Ų12474%0.74372%0.717SS**THydrogen-bonded Turntrans-73.9-1.5-179.1-63.2-179.6115.1138.11.7113.8G1058 S1062G1058-R1060 PolarHBondContact O-N 2.88Å; G1058-R1060 VanDerWaalsContact O-N 3.11Å; R1060-S1062 VanDerWaalsContact C-N 3.27Å
1061S48.2Very low45.4Very low64 Ų64125.4 Ų125.445%0.44873%0.726SS.*THydrogen-bonded Turntrans-67.1-29.8169.666.70000112.4D1059 L1063 Y1064 L1065D1059-S1061 PolarHBondContact O-N 2.86Å; D1059-S1061 VanDerWaalsContact OD1-CB 3.24Å; D1059-S1061 WeakPolarHBondContact OD1-CB 3.48Å; D1059-S1061 PolarHBondContact OD1-N 3.08Å; D1059-S1061 PolarHBondContact OD1-OG 2.97Å; D1059-S1061 PolarHBondContact OD2-OG 2.76Å; S1061-L1063 PolarHBondContact O-N 3.33Å; S1061-Y1064 PolarHBondContact O-N 2.89Å; S1061-L1065 PolarHBondContact O-N 2.99Å
1062S54.5Low45.4Very low69 Ų69123.2 Ų123.248%0.48373%0.73SS.*G310 helixtrans-54.1-34175.157.10000113.7D1059 R1060 Y1064 L1065D1059-S1062 PolarHBondContact O-N 3.39Å; D1059-S1062 PolarHBondContact O-OG 3.05Å; R1060-S1062 VanDerWaalsContact C-N 3.27Å; S1062-Y1064 PolarHBondContact O-N 2.74Å; S1062-Y1064 VanDerWaalsContact O-N 3.11Å; S1062-L1065 PolarHBondContact O-N 3.25Å; S1062-L1065 VanDerWaalsContact O-N 3.07Å
1063L53.1Low45Very low135 Ų135125.4 Ų125.471%0.70775%0.745SS**G310 helixtrans-71.6-2179.1-63.8175.8000114.3S1061S1061-L1063 PolarHBondContact O-N 3.33Å
1064Y46.3Very low44.8Very low209 Ų209122 Ų12282%0.8274%0.744SS**G310 helixtrans-118.30.4171-67.9-84.2000113.1S1061 S1062S1061-Y1064 PolarHBondContact O-N 2.89Å; S1062-Y1064 PolarHBondContact O-N 2.74Å; S1062-Y1064 VanDerWaalsContact O-N 3.11Å
1065L51.2Low44.3Very low131 Ų131121 Ų12169%0.68675%0.746SS**  trans-88.2107.5168.7-79.2162.6000108.5S1061 S1062 E1067S1061-L1065 PolarHBondContact O-N 2.99Å; S1062-L1065 PolarHBondContact O-N 3.25Å; S1062-L1065 VanDerWaalsContact O-N 3.07Å; L1065-E1067 PolarHBondContact O-N 3.41Å; L1065-E1067 VanDerWaalsContact O-N 3.09Å
1066V58.4Low44.2Very low145 Ų145123.3 Ų123.388%0.87975%0.751SS**  trans-72.4102.4169176.40000107.7G1068V1066-G1068 PolarHBondContact O-N 2.88Å
1067E50.2Low44.1Very low187 Ų187130.4 Ų130.487%0.87476%0.757SS**  trans-63126.6175.8-168164.4-139.900110.1L1065L1065-E1067 PolarHBondContact O-N 3.41Å; L1065-E1067 VanDerWaalsContact O-N 3.09Å
1068G37.8Very low44.1Very low73 Ų73125 Ų12575%0.75375%0.745SS**  trans-131.5121.5-173.300000112.2V1066V1066-G1068 PolarHBondContact O-N 2.88Å
1069S44.5Very low43.5Very low119 Ų119127.2 Ų127.283%0.83276%0.757SS**  trans-161.7159.4173.759.90000111
1070G38.1Very low43.4Very low65 Ų65130.9 Ų130.967%0.6777%0.768SS**  trans85.868152.100000117.9
1071D35.8Very low42.8Very low163 Ų163126.1 Ų126.187%0.87277%0.771SS**  trans-3126.9149.6-50.5-62.2000119.2
1072S41.1Very low42.4Very low124 Ų124132.4 Ų132.487%0.86779%0.79SS**  trans-161.2148.6142.425.60000111.5
1073S36.2Very low42Very low130 Ų130134.3 Ų134.391%0.90980%0.801SS**  trans-86.1140.2-169.747.80000113.6
1074G39.3Very low41.2Very low70 Ų70137.4 Ų137.472%0.72281%0.811SS**  trans161.7129.9169.800000113.9
1075P37.7Very low41.1Very low123 Ų123134.7 Ų134.780%0.79980%0.8SS**  trans-83.2154.8177.933-34.3000113
1076S34Very low40.6Very low115 Ų115132.6 Ų132.680%0.80480%0.801SS**  trans87.5106.1165.9-39.70000118.9
1077R37.2Very low40Very low218 Ų218132.9 Ų132.982%0.82380%0.797SS**  -164.7159.6123.4-106.9-166.9170.2-143.4-8.1111.8N479N479-R1077 PolarHBondContact OD1-NH2 2.84Å
1078P39.8Very low39.8Very low112 Ų112125.3 Ų125.373%0.72777%0.765SS**  trans-105.9163.1-156.139.9-37.9000117.1
1079A35Very low40.4Very low103 Ų103127.6 Ų127.685%0.85176%0.764SS**  trans30102.6147.600000118.7
1080K44.6Very low40.7Very low197 Ų197128.3 Ų128.386%0.85775%0.754SS**PPolyproline II helixtrans-95.8120.9167.9-159.3172.4-174178.20109.1
1081A35.7Very low41.2Very low97 Ų97127.8 Ų127.880%0.80274%0.736SS**PPolyproline II helixtrans-63.3134.8-175.100000112.3
1082F40.8Very low41.5Very low195 Ų195125 Ų12586%0.85572%0.724SS**PPolyproline II helixtrans-73.2131.5179.2-64.8-83.3000111.1
1083P45Very low41.5Very low110 Ų110120.3 Ų120.371%0.71470%0.696SS**PPolyproline II helixtrans-64.1154.8163.330.9-34.3000109.3R1085P1083-R1085 PolarHBondContact O-N 3.11Å
1084H37.5Very low41.7Very low199 Ų199118 Ų11892%0.92169%0.685SS**  trans-49.4106.9-178.4-68-80.5000111.6A1086H1084-A1086 PolarHBondContact O-N 3Å
1085R42.9Very low42.1Very low153 Ų153118.1 Ų118.158%0.57767%0.673SS**  trans-68.198.7-178.9-167.7176.4-173.2-159.7-7.8108.6P1083 L1087 S1088 D1091P1083-R1085 PolarHBondContact O-N 3.11Å; R1085-L1087 PolarHBondContact O-N 2.95Å; R1085-S1088 PolarHBondContact NE-OG 3.32Å; R1085-S1088 PolarHBondContact NH2-OG 3.35Å; R1085-D1091 VanDerWaalsContact CD-OD2 3.26Å; R1085-D1091 WeakPolarHBondContact CD-OD2 3.44Å; R1085-D1091 IonicContact CZ-OD1 2.69Å; R1085-D1091 IonicContact CZ-OD2 3.64Å; R1085-D1091 IonicContact NE-OD1 3.57Å; R1085-D1091 IonicContact NE-OD2 2.61Å; R1085-D1091 PolarHBondContact NE-OD2 3.32Å; R1085-D1091 IonicContact NH1-OD1 3.17Å; R1085-D1091 PolarHBondContact NH1-OD1 3.02Å; R1085-D1091 IonicContact NH1-OD2 2.68Å; R1085-D1091 IonicContact NH2-OD1 3.6Å; R1085-D1091 PolarHBondContact NH2-OD1 2.88Å; R1085-D1091 IonicContact NH2-OD2 2.99Å
1086A41.8Very low42.4Very low86 Ų86118.1 Ų118.171%0.71168%0.675SS**  trans-55.8127.4156.900000106.6H1084 S1088H1084-A1086 PolarHBondContact O-N 3Å; A1086-S1088 PolarHBondContact O-N 3.25Å
1087L46.3Very low43.3Very low151 Ų151118.8 Ų118.879%0.79167%0.669SS**  trans-42.9105.9-172.9-63.9171.8000110R1085 D1091R1085-L1087 PolarHBondContact O-N 2.95Å; L1087-D1091 HydrophobicContact CD2-CB 4.35Å
1088S44.6Very low44.1Very low29 Ų29113.2 Ų113.220%0.20367%0.67CS.*  trans-80167.4-175.881.40000109.4R1085 A1086 E1090 D1091 V1092R1085-S1088 PolarHBondContact NE-OG 3.32Å; R1085-S1088 PolarHBondContact NH2-OG 3.35Å; A1086-S1088 PolarHBondContact O-N 3.25Å; S1088-E1090 WeakPolarHBondContact CB-OE2 3.24Å; S1088-E1090 PolarHBondContact O-N 2.85Å; S1088-E1090 PolarHBondContact OG-OE2 2.61Å; S1088-D1091 PolarHBondContact N-OD2 2.91Å; S1088-D1091 PolarHBondContact O-N 2.9Å; S1088-V1092 PolarHBondContact O-N 2.93Å
1089V51.7Low45.3Very low121 Ų121111.9 Ų111.973%0.73365%0.651SS**THydrogen-bonded Turntrans-61.5-20.3-176.8-1760000111V1092V1089-V1092 CarbonylContact O-C 3.38Å; V1089-V1092 VanDerWaalsContact O-O 3.08Å
1090E48.9Very low46.9Very low133 Ų133111.7 Ų111.762%0.62164%0.639SS**THydrogen-bonded Turntrans-88.1-20.8177.6-49.170.2-148.300113.3S1088 V1092S1088-E1090 WeakPolarHBondContact CB-OE2 3.24Å; S1088-E1090 PolarHBondContact O-N 2.85Å; S1088-E1090 PolarHBondContact OG-OE2 2.61Å; E1090-V1092 VanDerWaalsContact C-N 3.3Å
1091D49.5Very low48.6Very low55 Ų55102.7 Ų102.729%0.29460%0.601SS.*THydrogen-bonded Turntrans-72.5-30167.4-69.9-47.9000111R1085 L1087 S1088 G1093R1085-D1091 VanDerWaalsContact CD-OD2 3.26Å; R1085-D1091 WeakPolarHBondContact CD-OD2 3.44Å; R1085-D1091 IonicContact CZ-OD1 2.69Å; R1085-D1091 IonicContact CZ-OD2 3.64Å; R1085-D1091 IonicContact NE-OD1 3.57Å; R1085-D1091 IonicContact NE-OD2 2.61Å; R1085-D1091 PolarHBondContact NE-OD2 3.32Å; R1085-D1091 IonicContact NH1-OD1 3.17Å; R1085-D1091 PolarHBondContact NH1-OD1 3.02Å; R1085-D1091 IonicContact NH1-OD2 2.68Å; R1085-D1091 IonicContact NH2-OD1 3.6Å; R1085-D1091 PolarHBondContact NH2-OD1 2.88Å; R1085-D1091 IonicContact NH2-OD2 2.99Å; L1087-D1091 HydrophobicContact CD2-CB 4.35Å; S1088-D1091 PolarHBondContact N-OD2 2.91Å; S1088-D1091 PolarHBondContact O-N 2.9Å; D1091-G1093 PolarHBondContact O-N 3.16Å
1092V43.1Very low51.2Low103 Ų10398.6 Ų98.662%0.62457%0.568SS**SBendtrans-7466.4160-170.10000108.2S1088 V1089 E1090 A1094S1088-V1092 PolarHBondContact O-N 2.93Å; V1089-V1092 CarbonylContact O-C 3.38Å; V1089-V1092 VanDerWaalsContact O-O 3.08Å; E1090-V1092 VanDerWaalsContact C-N 3.3Å; V1092-A1094 PolarHBondContact O-N 2.99Å
1093G40.5Very low53.6Low26 Ų2695.2 Ų95.227%0.26855%0.549SS..  trans-44.6105.7-179.200000110.9D1091D1091-G1093 PolarHBondContact O-N 3.16Å
1094A39.4Very low55.9Low82 Ų8292.9 Ų92.968%0.67853%0.533SS*.  trans-64.8126.8-174.800000107.9V1092 S1096V1092-A1094 PolarHBondContact O-N 2.99Å; A1094-S1096 PolarHBondContact O-N 2.94Å
1095P47.6Very low58.6Low73 Ų7387 Ų8747%0.47451%0.511SS..  trans-60.1117.5178.127.2-34.5000107.4L1097 L1153P1095-L1097 CarbonylContact C-O 3.46Å; P1095-L1097 CarbonylContact O-C 3.58Å; P1095-L1097 WeakPolarHBondContact O-CA 3.49Å; P1095-L1097 PolarHBondContact O-N 3.02Å; P1095-L1153 HydrophobicContact CB-CD2 3.86Å
1096S45.1Very low61Low122 Ų12284.3 Ų84.385%0.85351%0.505SS*.SBendtrans-61.6-19.6-161.352.20000114.1A1094A1094-S1096 PolarHBondContact O-N 2.94Å
1097L51.8Low63.4Low129 Ų12984.9 Ų84.968%0.67550%0.499SS*.SBendtrans-124.4147.8141.6-72.587.5000108.6P1095 R1099P1095-L1097 CarbonylContact C-O 3.46Å; P1095-L1097 CarbonylContact O-C 3.58Å; P1095-L1097 WeakPolarHBondContact O-CA 3.49Å; P1095-L1097 PolarHBondContact O-N 3.02Å; L1097-R1099 PolarHBondContact O-N 3.34Å
1098A53.6Low65.6Low102 Ų10279.5 Ų79.584%0.84347%0.469SS*.  trans-69.270.5168.300000110.6
1099R65.8Low67.8Low84 Ų8484.7 Ų84.732%0.31750%0.503SS..  trans-97.4129.6-174.567.9-176-177.4102.5-6.8111.5L1097 V1101L1097-R1099 PolarHBondContact O-N 3.34Å; R1099-V1101 HydrophobicContact CG-CG1 4.12Å; R1099-V1101 PolarHBondContact O-N 2.88Å
1100T69.2Low69.6Low99 Ų9983.2 Ų83.261%0.60749%0.491SS*.  trans-68.4110.2167.1-55.50000108.7G1102T1100-G1102 VanDerWaalsContact C-N 3.33Å; T1100-G1102 WeakPolarHBondContact CG2-O 3.4Å
1101V80.5Confident71.4Confident8 Ų878.8 Ų78.85%0.04848%0.481CS..  trans-83.9-11.7176.2-58.50000113.2R1099 L1117 Q1118 L1153 Y1154 L1157R1099-V1101 HydrophobicContact CG-CG1 4.12Å; R1099-V1101 PolarHBondContact O-N 2.88Å; V1101-L1117 CarbonylContact O-C 3.53Å; V1101-L1117 WeakPolarHBondContact O-CA 3.46Å; V1101-Q1118 PolarHBondContact O-N 2.81Å; V1101-L1153 HydrophobicContact CG1-CB 4.02Å; V1101-L1153 HydrophobicContact CG1-CD1 4.23Å; V1101-L1153 HydrophobicContact CG1-CD2 4.06Å; V1101-L1153 HydrophobicContact CG1-CG 4.34Å; V1101-L1153 HydrophobicContact CG2-CB 4.26Å; V1101-L1153 VanDerWaalsContact CG2-O 3.3Å; V1101-L1153 WeakPolarHBondContact CG2-O 3.25Å; V1101-Y1154 HydrophobicContact CB-CD1 4.35Å; V1101-Y1154 HydrophobicContact CB-CE1 3.83Å; V1101-Y1154 HydrophobicContact CG2-CD1 3.66Å; V1101-Y1154 HydrophobicContact CG2-CE1 3.67Å; V1101-Y1154 HydrophobicContact CG2-CG 4.41Å; V1101-L1157 HydrophobicContact CG2-CD1 4.21Å
1102G89.4Confident73.5Confident11 Ų1176.4 Ų76.411%0.11347%0.468CS..EExtended strand (participates in β ladder)trans166.3-179.1174.800000112.8T1100 Q1116T1100-G1102 VanDerWaalsContact C-N 3.33Å; T1100-G1102 WeakPolarHBondContact CG2-O 3.4Å; G1102-Q1116 CarbonylContact C-O 3.5Å; G1102-Q1116 WeakPolarHBondContact CA-O 3.42Å
1103R91.7Very high75.9Confident123 Ų12372 Ų7246%0.46444%0.442SS..EExtended strand (participates in β ladder)trans-145.9158.7171.968.4-173.7-174-67.3-9.7111.1L1115 Q1116R1103-L1115 WeakPolarHBondContact O-CA 3.47Å; R1103-Q1116 PolarHBondContact N-O 3.48Å; R1103-Q1116 PolarHBondContact O-N 2.81Å
1104V93.5Very high78.4Confident62 Ų6272.7 Ų72.738%0.37644%0.438SS..EExtended strand (participates in β ladder)trans-71.7133.9162.7-171.80000107.9V1107 L1115 L1157V1104-V1107 HydrophobicContact CG1-CG2 3.78Å; V1104-L1115 HydrophobicContact CB-CD2 4.32Å; V1104-L1115 HydrophobicContact CG1-CD2 4.41Å; V1104-L1115 HydrophobicContact CG2-CD2 3.82Å; V1104-L1157 HydrophobicContact CG2-CD2 3.99Å
1105V93.2Very high81.1Confident74 Ų7468.8 Ų68.845%0.44841%0.406SS..EExtended strand (participates in β ladder)trans-98.5-50.7176.2178.80000109.7Q1114 Q1116V1105-Q1114 HydrophobicContact CB-CB 4.38Å; V1105-Q1114 HydrophobicContact CB-CG 4.44Å; V1105-Q1114 PolarHBondContact N-O 2.81Å; V1105-Q1116 HydrophobicContact CG2-CB 3.7Å
1106E93.4Very high83.3Confident97 Ų9767.8 Ų67.845%0.45340%0.395SS..EExtended strand (participates in β ladder)trans-143.1152.7-179.9-172.4167.6172.100110.4F1108 S1113 Q1114E1106-F1108 HydrophobicContact CB-CE1 4.47Å; E1106-F1108 HydrophobicContact CB-CZ 4.37Å; E1106-F1108 HydrophobicContact CG-CD1 4.08Å; E1106-F1108 HydrophobicContact CG-CE1 3.9Å; E1106-F1108 HydrophobicContact CG-CZ 4.29Å; E1106-F1108 WeakPolarHBondContact OE1-CD1 3.39Å; E1106-F1108 VanDerWaalsContact OE1-CE1 3.32Å; E1106-F1108 WeakPolarHBondContact OE1-CE1 3.31Å; E1106-F1108 WeakPolarHBondContact OE2-CE1 3.48Å; E1106-S1113 CarbonylContact O-C 3.58Å; E1106-S1113 WeakPolarHBondContact O-CA 3.45Å; E1106-Q1114 HydrophobicContact CB-CB 4.32Å; E1106-Q1114 PolarHBondContact N-O 3.42Å; E1106-Q1114 PolarHBondContact O-N 3.46Å
1107V93.7Very high85.6Confident98 Ų9862 Ų6259%0.59435%0.354SS*.EExtended strand (participates in β ladder)trans-121.6113.3169.7-179.20000107.4V1104V1104-V1107 HydrophobicContact CG1-CG2 3.78Å
1108F92.2Very high87.3Confident38 Ų3860 Ų6017%0.16734%0.342CS..  trans-83.2152.6-172.6-66.2-66.9000111.5E1106 D1110 G1111 T1112 Q1114 R1193E1106-F1108 HydrophobicContact CB-CE1 4.47Å; E1106-F1108 HydrophobicContact CB-CZ 4.37Å; E1106-F1108 HydrophobicContact CG-CD1 4.08Å; E1106-F1108 HydrophobicContact CG-CE1 3.9Å; E1106-F1108 HydrophobicContact CG-CZ 4.29Å; E1106-F1108 WeakPolarHBondContact OE1-CD1 3.39Å; E1106-F1108 VanDerWaalsContact OE1-CE1 3.32Å; E1106-F1108 WeakPolarHBondContact OE1-CE1 3.31Å; E1106-F1108 WeakPolarHBondContact OE2-CE1 3.48Å; F1108-D1110 WeakPolarHBondContact CB-OD1 3.2Å; F1108-D1110 PolarHBondContact O-N 3.32Å; F1108-D1110 VanDerWaalsContact O-N 3.15Å; F1108-G1111 PolarHBondContact O-N 3.25Å; F1108-T1112 VanDerWaalsContact CD2-OG1 3.32Å; F1108-T1112 WeakPolarHBondContact CD2-OG1 3.45Å; F1108-T1112 PolarHBondContact N-O 3.33Å; F1108-Q1114 HydrophobicContact CE2-CB 3.92Å; F1108-Q1114 HydrophobicContact CZ-CB 4.4Å; F1108-R1193 HydrophobicContact CD2-CG 4.24Å; F1108-R1193 VanDerWaalsContact CD2-NE 3.33Å; F1108-R1193 HydrophobicContact CE2-CG 4.03Å
1109P90Very high89Confident139 Ų13958.1 Ų58.190%0.90331%0.313SS*.THydrogen-bonded Turntrans-67.4-12.3-178.827.6-35.8000114.2G1111P1109-G1111 PolarHBondContact O-N 3.34Å
1110D89.4Confident89.7Confident90 Ų9054.9 Ų54.948%0.48130%0.302SS..THydrogen-bonded Turntrans-75.6-7171.162.210.5000113.6F1108 T1112 R1193F1108-D1110 WeakPolarHBondContact CB-OD1 3.2Å; F1108-D1110 PolarHBondContact O-N 3.32Å; F1108-D1110 VanDerWaalsContact O-N 3.15Å; D1110-T1112 VanDerWaalsContact OD1-CB 3.28Å; D1110-T1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-T1112 WeakPolarHBondContact OD1-CG2 3.42Å; D1110-T1112 PolarHBondContact OD1-N 3.49Å; D1110-T1112 PolarHBondContact OD1-OG1 2.96Å; D1110-T1112 PolarHBondContact OD2-OG1 2.52Å; D1110-R1193 IonicContact OD1-NH2 3.88Å; D1110-R1193 IonicContact OD2-CZ 2.97Å; D1110-R1193 IonicContact OD2-NE 3.34Å; D1110-R1193 IonicContact OD2-NH2 2.82Å; D1110-R1193 PolarHBondContact OD2-NH2 3.21Å
1111G88Confident90Very high40 Ų4056.7 Ų56.741%0.41232%0.316SS..SBendtrans89.35.8-177.500000114.6F1108 P1109F1108-G1111 PolarHBondContact O-N 3.25Å; P1109-G1111 PolarHBondContact O-N 3.34Å
1112T92.1Very high89.4Confident5 Ų565.6 Ų65.63%0.03135%0.354CS..EExtended strand (participates in β ladder)trans-84.7164.4170.268.60000111.1F1108 D1110 L1165 R1193 V1194 L1195F1108-T1112 VanDerWaalsContact CD2-OG1 3.32Å; F1108-T1112 WeakPolarHBondContact CD2-OG1 3.45Å; F1108-T1112 PolarHBondContact N-O 3.33Å; D1110-T1112 VanDerWaalsContact OD1-CB 3.28Å; D1110-T1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-T1112 WeakPolarHBondContact OD1-CG2 3.42Å; D1110-T1112 PolarHBondContact OD1-N 3.49Å; D1110-T1112 PolarHBondContact OD1-OG1 2.96Å; D1110-T1112 PolarHBondContact OD2-OG1 2.52Å; T1112-L1165 HydrophobicContact CG2-CD1 3.55Å; T1112-R1193 PolarHBondContact OG1-NE 3.41Å; T1112-R1193 PolarHBondContact OG1-NH2 3.39Å; T1112-V1194 CarbonylContact C-O 3.59Å; T1112-V1194 WeakPolarHBondContact CA-O 3.4Å; T1112-L1195 HydrophobicContact CG2-CB 4.1Å; T1112-L1195 HydrophobicContact CG2-CD1 3.97Å
1113S93.1Very high88.8Confident10 Ų1067.6 Ų67.67%0.0737%0.374CS..EExtended strand (participates in β ladder)trans-136.4132.3176.1-57.20000110.5E1106 V1194E1106-S1113 CarbonylContact O-C 3.58Å; E1106-S1113 WeakPolarHBondContact O-CA 3.45Å; S1113-V1194 PolarHBondContact N-O 2.85Å; S1113-V1194 PolarHBondContact O-N 3.25Å
1114Q94.8Very high88.6Confident40 Ų4066 Ų6619%0.18738%0.378CS..EExtended strand (participates in β ladder)trans-83.2125.4170.6-163.417221.400109.3V1105 E1106 F1108 S1191 I1192V1105-Q1114 HydrophobicContact CB-CB 4.38Å; V1105-Q1114 HydrophobicContact CB-CG 4.44Å; V1105-Q1114 PolarHBondContact N-O 2.81Å; E1106-Q1114 HydrophobicContact CB-CB 4.32Å; E1106-Q1114 PolarHBondContact N-O 3.42Å; E1106-Q1114 PolarHBondContact O-N 3.46Å; F1108-Q1114 HydrophobicContact CE2-CB 3.92Å; F1108-Q1114 HydrophobicContact CZ-CB 4.4Å; Q1114-S1191 PolarHBondContact NE2-OG 3.24Å; Q1114-I1192 CarbonylContact C-O 3.53Å; Q1114-I1192 WeakPolarHBondContact CA-O 3.45Å
1115L94.7Very high88.4Confident0 Ų063.4 Ų63.40%036%0.362CS..EExtended strand (participates in β ladder)trans-113139.4176-46.4179.3000108.4R1103 V1104 L1117 L1157 L1158 S1191 I1192 V1194R1103-L1115 WeakPolarHBondContact O-CA 3.47Å; V1104-L1115 HydrophobicContact CB-CD2 4.32Å; V1104-L1115 HydrophobicContact CG1-CD2 4.41Å; V1104-L1115 HydrophobicContact CG2-CD2 3.82Å; L1115-L1117 HydrophobicContact CB-CD2 4.08Å; L1115-L1157 WeakPolarHBondContact CD1-O 3.32Å; L1115-L1157 HydrophobicContact CD2-CD2 4.49Å; L1115-L1158 HydrophobicContact CD1-CD1 4.34Å; L1115-S1191 CarbonylContact O-C 3.57Å; L1115-S1191 WeakPolarHBondContact O-CA 3.44Å; L1115-I1192 HydrophobicContact CB-CG1 3.96Å; L1115-I1192 HydrophobicContact CD1-CD1 4.31Å; L1115-I1192 HydrophobicContact CD1-CG1 4.42Å; L1115-I1192 HydrophobicContact CG-CG1 4.47Å; L1115-I1192 PolarHBondContact N-O 3.07Å; L1115-I1192 PolarHBondContact O-N 3.09Å; L1115-V1194 HydrophobicContact CD1-CB 4.42Å; L1115-V1194 HydrophobicContact CD1-CG2 3.8Å; L1115-V1194 HydrophobicContact CG-CG2 4.2Å
1116Q93.9Very high88.1Confident52 Ų5260.2 Ų60.224%0.24334%0.344CS..EExtended strand (participates in β ladder)trans-108115.1161.9-175.3173.848.500108.2G1102 R1103 V1105 S1189 L1190G1102-Q1116 CarbonylContact C-O 3.5Å; G1102-Q1116 WeakPolarHBondContact CA-O 3.42Å; R1103-Q1116 PolarHBondContact N-O 3.48Å; R1103-Q1116 PolarHBondContact O-N 2.81Å; V1105-Q1116 HydrophobicContact CG2-CB 3.7Å; Q1116-S1189 PolarHBondContact NE2-OG 3.49Å; Q1116-S1189 VanDerWaalsContact NE2-OG 3.14Å; Q1116-L1190 WeakPolarHBondContact CA-O 3.37Å
1117L92.9Very high88Confident0 Ų056.3 Ų56.30%033%0.326CS..EExtended strand (participates in β ladder)trans-99.8148.7177.9-50.6-173.6000110.3V1101 L1115 F1125 F1127 Y1154 L1157 L1158 S1189 L1190 I1192V1101-L1117 CarbonylContact O-C 3.53Å; V1101-L1117 WeakPolarHBondContact O-CA 3.46Å; L1115-L1117 HydrophobicContact CB-CD2 4.08Å; L1117-F1125 HydrophobicContact CB-CD1 4.27Å; L1117-F1125 HydrophobicContact CB-CE1 4.15Å; L1117-F1127 HydrophobicContact CD1-CE1 3.59Å; L1117-F1127 HydrophobicContact CD1-CZ 3.87Å; L1117-Y1154 HydrophobicContact CD1-CE1 4.09Å; L1117-Y1154 HydrophobicContact CD2-CD1 4.42Å; L1117-Y1154 HydrophobicContact CD2-CE1 4.12Å; L1117-L1157 HydrophobicContact CD2-CD1 4.48Å; L1117-L1158 HydrophobicContact CD1-CD2 4.4Å; L1117-S1189 WeakPolarHBondContact O-CA 3.29Å; L1117-L1190 PolarHBondContact N-O 3.25Å; L1117-L1190 PolarHBondContact O-N 2.96Å; L1117-I1192 HydrophobicContact CD1-CD1 3.78Å; L1117-I1192 HydrophobicContact CD1-CG1 4.48Å; L1117-I1192 HydrophobicContact CG-CD1 4.34Å
1118Q89.2Confident87.8Confident89 Ų8956.9 Ų56.942%0.41632%0.322SS..EExtended strand (participates in β ladder)trans-121.7130.6179.1-66.4-175.5-69.100110.3V1101V1101-Q1118 PolarHBondContact O-N 2.81Å
1119R87.7Confident87.7Confident62 Ų6255.9 Ų55.923%0.23432%0.319CS..  trans-69.7142178.8-169.6-170.8-66.5-141-14.6110.4G1123 F1125 L1184 A1185 H1186 A1187 E1188R1119-G1123 WeakPolarHBondContact CG-O 3.5Å; R1119-F1125 HydrophobicContact CB-CD1 4.4Å; R1119-F1125 HydrophobicContact CB-CE1 3.94Å; R1119-F1125 HydrophobicContact CB-CZ 4.01Å; R1119-L1184 PolarHBondContact NH2-O 3.06Å; R1119-A1185 PolarHBondContact NH1-O 3.13Å; R1119-A1185 PolarHBondContact NH2-O 2.86Å; R1119-A1185 VanDerWaalsContact NH2-O 3.12Å; R1119-H1186 VanDerWaalsContact NH2-N 3.13Å; R1119-A1187 PolarHBondContact NE-O 3.01Å; R1119-A1187 PolarHBondContact NH2-O 3.11Å; R1119-E1188 VanDerWaalsContact CB-O 3.28Å; R1119-E1188 WeakPolarHBondContact CB-O 3.5Å; R1119-E1188 PolarHBondContact N-O 3.38Å
1120P82.1Confident87.6Confident16 Ų1650.5 Ų50.510%0.10429%0.286CS..  trans-60.4147.2165.525.3-32.5000111K1122 T1124P1120-K1122 PolarHBondContact O-N 2.82Å; P1120-T1124 WeakPolarHBondContact CD-O 3.27Å; P1120-T1124 WeakPolarHBondContact CG-O 3.39Å
1121P75.7Confident87.3Confident136 Ų13651.1 Ų51.188%0.88329%0.286SS*.SBendtrans-66.1-6.6176.128.6-36.2000113.8
1122K67Low86.5Confident196 Ų19650.3 Ų50.385%0.85228%0.277SS*.SBendtrans-141111.7167.2-62.8-172.1179.4-1730108.3P1120P1120-K1122 PolarHBondContact O-N 2.82Å
1123G77.6Confident84.9Confident52 Ų5255.7 Ų55.754%0.53632%0.315SS..SBendtrans119.4176.8177.500000114.8R1119R1119-G1123 WeakPolarHBondContact CG-O 3.5Å
1124T86.9Confident83.3Confident91 Ų9158.1 Ų58.156%0.55834%0.342SS*.  trans-84.3-178.2174.967.90000111P1120 G1126P1120-T1124 WeakPolarHBondContact CD-O 3.27Å; P1120-T1124 WeakPolarHBondContact CG-O 3.39Å; T1124-G1126 PolarHBondContact O-N 3.48Å; T1124-G1126 PolarHBondContact OG1-N 2.82Å
1125F88.8Confident81.7Confident6 Ų662.1 Ų62.13%0.02636%0.355CS..  trans-62-17.1169.4-69.6-77.3000114L1117 R1119 F1127 Y1154 L1184 A1187 L1190L1117-F1125 HydrophobicContact CB-CD1 4.27Å; L1117-F1125 HydrophobicContact CB-CE1 4.15Å; R1119-F1125 HydrophobicContact CB-CD1 4.4Å; R1119-F1125 HydrophobicContact CB-CE1 3.94Å; R1119-F1125 HydrophobicContact CB-CZ 4.01Å; F1125-F1127 HydrophobicContact CB-CD1 3.94Å; F1125-F1127 HydrophobicContact CB-CE1 3.61Å; F1125-F1127 HydrophobicContact CB-CZ 4.32Å; F1125-F1127 HydrophobicContact CG-CE1 4.29Å; F1125-Y1154 WeakPolarHBondContact O-CE2 3.43Å; F1125-Y1154 PolarHBondContact O-OH 3.12Å; F1125-L1184 HydrophobicContact CD2-CD2 4.11Å; F1125-A1187 VanDerWaalsContact CE2-O 3.24Å; F1125-A1187 WeakPolarHBondContact CE2-O 3.49Å; F1125-A1187 WeakPolarHBondContact CZ-O 3.15Å; F1125-L1190 HydrophobicContact CE1-CB 3.98Å; F1125-L1190 HydrophobicContact CE2-CB 4.15Å; F1125-L1190 HydrophobicContact CE2-CD2 4.47Å; F1125-L1190 HydrophobicContact CZ-CB 3.57Å
1126G88.1Confident79.8Confident8 Ų874.2 Ų74.28%0.08240%0.401CS..SBendtrans76.416.7174.700000115.8T1124 A1146 T1150T1124-G1126 PolarHBondContact O-N 3.48Å; T1124-G1126 PolarHBondContact OG1-N 2.82Å; G1126-A1146 VanDerWaalsContact O-CB 3.29Å; G1126-A1146 WeakPolarHBondContact O-CB 3.26Å; G1126-A1146 PolarHBondContact O-N 3.1Å; G1126-T1150 VanDerWaalsContact O-CG2 3.25Å; G1126-T1150 WeakPolarHBondContact O-CG2 3.31Å
1127F90.9Very high78.3Confident14 Ų1477.2 Ų77.26%0.06142%0.419CS..EExtended strand (participates in β ladder)trans-129.8151.716764.9-94000110.6L1117 F1125 V1129 V1142 A1144 M1145 Y1154 L1158 I1164 L1184 L1190L1117-F1127 HydrophobicContact CD1-CE1 3.59Å; L1117-F1127 HydrophobicContact CD1-CZ 3.87Å; F1125-F1127 HydrophobicContact CB-CD1 3.94Å; F1125-F1127 HydrophobicContact CB-CE1 3.61Å; F1125-F1127 HydrophobicContact CB-CZ 4.32Å; F1125-F1127 HydrophobicContact CG-CE1 4.29Å; F1127-V1129 HydrophobicContact CD2-CG1 4.02Å; F1127-V1129 HydrophobicContact CE2-CG1 3.89Å; F1127-V1142 HydrophobicContact CB-CG1 4.37Å; F1127-V1142 HydrophobicContact CD2-CG1 4.48Å; F1127-A1144 WeakPolarHBondContact CA-O 3.41Å; F1127-M1145 HydrophobicContact CB-SD 3.72Å; F1127-Y1154 HydrophobicContact CD1-CD2 4.42Å; F1127-Y1154 AromaticContact CD1-CE2 3.8Å; F1127-Y1154 HydrophobicContact CD1-CE2 3.8Å; F1127-Y1154 AromaticContact CD1-CZ 3.99Å; F1127-Y1154 HydrophobicContact CE1-CE2 4.44Å; F1127-L1158 HydrophobicContact CD1-CD2 4.04Å; F1127-L1158 HydrophobicContact CD2-CD2 4.13Å; F1127-L1158 HydrophobicContact CE1-CD2 3.98Å; F1127-L1158 HydrophobicContact CE2-CD2 4.08Å; F1127-L1158 HydrophobicContact CG-CD2 4.12Å; F1127-L1158 HydrophobicContact CZ-CD2 4.01Å; F1127-I1164 HydrophobicContact CE2-CD1 4.48Å; F1127-L1184 HydrophobicContact CE2-CD2 4.29Å; F1127-L1184 HydrophobicContact CZ-CD2 4.16Å; F1127-L1190 HydrophobicContact CZ-CD2 4.41Å
1128H89.1Confident76.7Confident110 Ų11078.5 Ų78.551%0.50943%0.428SS..EExtended strand (participates in β ladder)trans-109.1140.9-179.8-63.1-89.6000110.3V1142 Q1143 A1144H1128-V1142 CarbonylContact O-C 3.6Å; H1128-Q1143 PolarHBondContact O-N 3.27Å; H1128-A1144 HydrophobicContact CB-CB 4.4Å; H1128-A1144 PolarHBondContact N-O 3.42Å; H1128-A1144 PolarHBondContact O-N 3.13Å
1129V90.6Very high75.7Confident17 Ų1774.3 Ų74.310%0.10341%0.408CS..EExtended strand (participates in β ladder)trans-114.4144.6177.2-61.80000111F1127 L1140 Y1141 I1164 L1177 I1180 L1184F1127-V1129 HydrophobicContact CD2-CG1 4.02Å; F1127-V1129 HydrophobicContact CE2-CG1 3.89Å; V1129-L1140 HydrophobicContact CB-CD1 3.87Å; V1129-L1140 HydrophobicContact CB-CD2 4.17Å; V1129-L1140 HydrophobicContact CB-CG 3.98Å; V1129-L1140 HydrophobicContact CG1-CD2 4.32Å; V1129-L1140 HydrophobicContact CG1-CG 4.49Å; V1129-L1140 HydrophobicContact CG2-CD1 3.92Å; V1129-L1140 HydrophobicContact CG2-CD2 4.27Å; V1129-L1140 HydrophobicContact CG2-CG 4.38Å; V1129-Y1141 VanDerWaalsContact CA-O 3.31Å; V1129-Y1141 WeakPolarHBondContact CA-O 3.37Å; V1129-I1164 HydrophobicContact CG1-CD1 3.81Å; V1129-L1177 HydrophobicContact CG2-CD1 4.4Å; V1129-I1180 HydrophobicContact CG2-CG2 4.16Å; V1129-L1184 HydrophobicContact CG1-CD1 4.19Å; V1129-L1184 HydrophobicContact CG2-CD1 3.54Å
1130A86.1Confident75.7Confident27 Ų2771.4 Ų71.422%0.22340%0.397CS..EExtended strand (participates in β ladder)trans-131.3147.8173.600000109.9Y1141 Q1143A1130-Y1141 PolarHBondContact N-O 2.83Å; A1130-Y1141 PolarHBondContact O-N 2.8Å; A1130-Q1143 HydrophobicContact CB-CB 3.83Å; A1130-Q1143 HydrophobicContact CB-CG 4.07Å
1131H85.1Confident76.1Confident103 Ų10372.2 Ų72.248%0.47740%0.399SS..EExtended strand (participates in β ladder)trans-83.2120.7169.8-176.3-80.7000108.7S1138 G1139H1131-S1138 VanDerWaalsContact NE2-CA 3.31Å; H1131-S1138 WeakPolarHBondContact NE2-CA 3.28Å; H1131-S1138 VanDerWaalsContact NE2-CB 3.3Å; H1131-S1138 WeakPolarHBondContact NE2-CB 3.26Å; H1131-S1138 PolarHBondContact NE2-OG 2.97Å; H1131-G1139 CarbonylContact C-O 3.57Å; H1131-G1139 WeakPolarHBondContact CA-O 3.48Å
1132G70Confident76.8Confident22 Ų2265.8 Ų65.823%0.22736%0.357CS..EExtended strand (participates in β ladder)trans-113.7157.9-177.900000112.6G1134 G1139G1132-G1134 PolarHBondContact O-N 2.93Å; G1132-G1134 VanDerWaalsContact O-N 3.13Å; G1132-G1139 PolarHBondContact N-O 3.34Å
1133S59Low77.9Confident119 Ų11962.2 Ų62.283%0.83234%0.343SS*.SBendtrans-80.220-175.747.90000115
1134G59.5Low78.5Confident61 Ų6161.5 Ų61.563%0.62933%0.332SS*.SBendtrans-76.5-45.1-170.100000115.1G1132 Y1141G1132-G1134 PolarHBondContact O-N 2.93Å; G1132-G1134 VanDerWaalsContact O-N 3.13Å; G1134-Y1141 WeakPolarHBondContact CA-OH 3.46Å
1135R61.4Low78.7Confident124 Ų12458.7 Ų58.747%0.46831%0.313SS..  trans-115150.3176.2-70.8-173.6-172.3-95-6.8111.6D1137 Y1141 E1163R1135-D1137 PolarHBondContact O-N 3.2Å; R1135-Y1141 PolarHBondContact N-OH 3.16Å; R1135-E1163 WeakPolarHBondContact CD-OE1 3.48Å; R1135-E1163 WeakPolarHBondContact CG-OE1 3.27Å; R1135-E1163 IonicContact CZ-OE2 3.69Å; R1135-E1163 VanDerWaalsContact NE-CD 3.28Å; R1135-E1163 IonicContact NE-OE1 3.8Å; R1135-E1163 PolarHBondContact NE-OE1 3.33Å; R1135-E1163 VanDerWaalsContact NE-OE1 3.15Å; R1135-E1163 IonicContact NE-OE2 3.34Å; R1135-E1163 PolarHBondContact NE-OE2 3.39Å; R1135-E1163 IonicContact NH2-OE2 3.82Å; R1135-E1163 PolarHBondContact NH2-OE2 3.01Å
1136R55.3Low78.8Confident253 Ų25361.2 Ų61.296%0.95534%0.335SS*.THydrogen-bonded Turntrans-63-29.6171.8-65.7-175.8177.7-174-2.2112.2S1138R1136-S1138 VanDerWaalsContact C-N 3.27Å; R1136-S1138 PolarHBondContact O-N 3.32Å
1137D60.9Low78.8Confident116 Ų11665 Ų6562%0.6235%0.353SS*.THydrogen-bonded Turntrans-90.134.8-172.4-43.2-37.4000113.4R1135 A1173R1135-D1137 PolarHBondContact O-N 3.2Å; D1137-A1173 WeakPolarHBondContact O-CA 3.29Å; D1137-A1173 VanDerWaalsContact O-CB 3.27Å; D1137-A1173 WeakPolarHBondContact O-CB 3.4Å
1138S59.4Low78.7Confident26 Ų2670.2 Ų70.218%0.18238%0.382CS..THydrogen-bonded Turntrans59.293.8-176.1140.80000114.4H1131 R1136 V1172H1131-S1138 VanDerWaalsContact NE2-CA 3.31Å; H1131-S1138 WeakPolarHBondContact NE2-CA 3.28Å; H1131-S1138 VanDerWaalsContact NE2-CB 3.3Å; H1131-S1138 WeakPolarHBondContact NE2-CB 3.26Å; H1131-S1138 PolarHBondContact NE2-OG 2.97Å; R1136-S1138 VanDerWaalsContact C-N 3.27Å; R1136-S1138 PolarHBondContact O-N 3.32Å; S1138-V1172 PolarHBondContact OG-O 2.94Å
1139G68.8Low78.4Confident1 Ų168.6 Ų68.61%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-86110.1178.300000112H1131 G1132 Y1141H1131-G1139 CarbonylContact C-O 3.57Å; H1131-G1139 WeakPolarHBondContact CA-O 3.48Å; G1132-G1139 PolarHBondContact N-O 3.34Å; G1139-Y1141 VanDerWaalsContact C-CE2 3.43Å; G1139-Y1141 VanDerWaalsContact O-CD2 3.31Å; G1139-Y1141 WeakPolarHBondContact O-CD2 3.42Å; G1139-Y1141 WeakPolarHBondContact O-CE2 3.4Å
1140L88Confident78.3Confident1 Ų168.4 Ų68.41%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-95122.9168.4-174.981.1000109.5V1129 E1163 I1164 V1172 L1177 I1180V1129-L1140 HydrophobicContact CB-CD1 3.87Å; V1129-L1140 HydrophobicContact CB-CD2 4.17Å; V1129-L1140 HydrophobicContact CB-CG 3.98Å; V1129-L1140 HydrophobicContact CG1-CD2 4.32Å; V1129-L1140 HydrophobicContact CG1-CG 4.49Å; V1129-L1140 HydrophobicContact CG2-CD1 3.92Å; V1129-L1140 HydrophobicContact CG2-CD2 4.27Å; V1129-L1140 HydrophobicContact CG2-CG 4.38Å; L1140-E1163 CarbonylContact O-C 3.59Å; L1140-E1163 WeakPolarHBondContact O-CA 3.37Å; L1140-I1164 HydrophobicContact CB-CB 4.48Å; L1140-I1164 HydrophobicContact CD2-CB 4.06Å; L1140-I1164 HydrophobicContact CD2-CD1 4.22Å; L1140-I1164 HydrophobicContact CD2-CG2 4.19Å; L1140-I1164 PolarHBondContact O-N 3.3Å; L1140-V1172 HydrophobicContact CB-CG1 3.61Å; L1140-V1172 HydrophobicContact CD2-CG1 4.2Å; L1140-V1172 HydrophobicContact CD2-CG2 4.34Å; L1140-V1172 HydrophobicContact CG-CG1 4.39Å; L1140-L1177 HydrophobicContact CD1-CD1 3.95Å; L1140-I1180 HydrophobicContact CD1-CD1 4.18Å; L1140-I1180 HydrophobicContact CD1-CG2 4.4Å; L1140-I1180 HydrophobicContact CD2-CD1 4.25Å; L1140-I1180 HydrophobicContact CD2-CG2 3.77Å
1141Y89.5Confident78.4Confident34 Ų3468.9 Ų68.913%0.13338%0.38CS..EExtended strand (participates in β ladder)trans-118.8148.1-176.8-54-84.7000111.2V1129 A1130 G1134 R1135 G1139 Q1143 D1162 E1163V1129-Y1141 VanDerWaalsContact CA-O 3.31Å; V1129-Y1141 WeakPolarHBondContact CA-O 3.37Å; A1130-Y1141 PolarHBondContact N-O 2.83Å; A1130-Y1141 PolarHBondContact O-N 2.8Å; G1134-Y1141 WeakPolarHBondContact CA-OH 3.46Å; R1135-Y1141 PolarHBondContact N-OH 3.16Å; G1139-Y1141 VanDerWaalsContact C-CE2 3.43Å; G1139-Y1141 VanDerWaalsContact O-CD2 3.31Å; G1139-Y1141 WeakPolarHBondContact O-CD2 3.42Å; G1139-Y1141 WeakPolarHBondContact O-CE2 3.4Å; Y1141-Q1143 PolarHBondContact O-N 3.24Å; Y1141-D1162 WeakPolarHBondContact CA-O 3.34Å; Y1141-E1163 HydrophobicContact CD1-CB 3.73Å; Y1141-E1163 HydrophobicContact CD1-CG 4.03Å; Y1141-E1163 HydrophobicContact CE1-CB 3.56Å; Y1141-E1163 HydrophobicContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-OE1 3.26Å; Y1141-E1163 WeakPolarHBondContact CE1-OE1 3.11Å; Y1141-E1163 VanDerWaalsContact CZ-OE1 3.24Å; Y1141-E1163 PolarHBondContact OH-OE1 2.85Å
1142V91.5Very high78.5Confident1 Ų167.9 Ų67.91%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-71.7107.5169.9-178.10000108.6F1127 H1128 M1145 L1158 R1159 V1160 G1161 D1162 I1164F1127-V1142 HydrophobicContact CB-CG1 4.37Å; F1127-V1142 HydrophobicContact CD2-CG1 4.48Å; H1128-V1142 CarbonylContact O-C 3.6Å; V1142-M1145 HydrophobicContact CG1-CE 4.07Å; V1142-L1158 HydrophobicContact CG2-CD1 3.8Å; V1142-L1158 HydrophobicContact CG2-CD2 3.87Å; V1142-L1158 HydrophobicContact CG2-CG 3.85Å; V1142-R1159 WeakPolarHBondContact CB-O 3.09Å; V1142-V1160 CarbonylContact O-C 3.41Å; V1142-V1160 WeakPolarHBondContact O-CA 3.4Å; V1142-G1161 PolarHBondContact O-N 2.68Å; V1142-D1162 PolarHBondContact N-O 3.26Å; V1142-I1164 HydrophobicContact CG2-CD1 3.99Å; V1142-I1164 HydrophobicContact CG2-CG1 4.39Å
1143Q89.6Confident79.2Confident121 Ų12168.9 Ų68.957%0.56537%0.374SS*.EExtended strand (participates in β ladder)trans-84.1-36.5-172.9-17660.152.400112.8H1128 A1130 Y1141 V1160H1128-Q1143 PolarHBondContact O-N 3.27Å; A1130-Q1143 HydrophobicContact CB-CB 3.83Å; A1130-Q1143 HydrophobicContact CB-CG 4.07Å; Y1141-Q1143 PolarHBondContact O-N 3.24Å; Q1143-V1160 WeakPolarHBondContact O-CG1 3.36Å
1144A90.6Very high80.7Confident37 Ų3763.3 Ų63.331%0.30634%0.335SS..EExtended strand (participates in β ladder)trans-158.3156.8-177.800000111.5F1127 H1128F1127-A1144 WeakPolarHBondContact CA-O 3.41Å; H1128-A1144 HydrophobicContact CB-CB 4.4Å; H1128-A1144 PolarHBondContact N-O 3.42Å; H1128-A1144 PolarHBondContact O-N 3.13Å
1145M91.4Very high81.9Confident31 Ų3164.5 Ų64.515%0.15333%0.333CS..EExtended strand (participates in β ladder)trans-96.6147.8161.4-59-66.2175.400108F1127 V1142 A1151 Y1154 V1160F1127-M1145 HydrophobicContact CB-SD 3.72Å; V1142-M1145 HydrophobicContact CG1-CE 4.07Å; M1145-A1151 HydrophobicContact CB-CB 4.01Å; M1145-A1151 HydrophobicContact CG-CB 3.83Å; M1145-Y1154 HydrophobicContact SD-CD2 4.28Å; M1145-V1160 HydrophobicContact CE-CG2 4.5Å; M1145-V1160 HydrophobicContact CG-CG2 4.08Å
1146A89Confident83.1Confident60 Ų6061.4 Ų61.450%0.49634%0.34SS..SBendtrans-66.5-36.6-177.900000112.7G1126G1126-A1146 VanDerWaalsContact O-CB 3.29Å; G1126-A1146 WeakPolarHBondContact O-CB 3.26Å; G1126-A1146 PolarHBondContact O-N 3.1Å
1147D88.3Confident84.8Confident86 Ų8650.5 Ų50.546%0.4630%0.3SS..SBendtrans-149.7172.8175.460.517000111.8D1149 T1150 A1151D1147-D1149 VanDerWaalsContact C-N 3.3Å; D1147-D1149 PolarHBondContact O-N 3.14Å; D1147-D1149 PolarHBondContact OD1-N 3.26Å; D1147-T1150 WeakPolarHBondContact OD1-CA 3.38Å; D1147-T1150 WeakPolarHBondContact OD1-CB 3.33Å; D1147-T1150 PolarHBondContact OD1-N 2.96Å; D1147-T1150 PolarHBondContact OD1-OG1 3.12Å; D1147-A1151 PolarHBondContact O-N 2.78Å; D1147-A1151 VanDerWaalsContact O-N 3.12Å
1148L88.5Confident86.3Confident125 Ų12545 Ų4565%0.65427%0.271SS*.Hα-helixtrans-66-31.9179.8-179.561.2000112.2A1151 K1152L1148-A1151 WeakPolarHBondContact O-CB 3.41Å; L1148-A1151 PolarHBondContact O-N 3.44Å; L1148-K1152 WeakPolarHBondContact O-CG 3.36Å; L1148-K1152 PolarHBondContact O-N 3.24Å
1149D84.3Confident87.8Confident76 Ų7651.1 Ų51.141%0.40629%0.29SS..Hα-helixtrans-77.9-30.5-178.5-68-36.7000112.1D1147 K1152 L1153D1147-D1149 VanDerWaalsContact C-N 3.3Å; D1147-D1149 PolarHBondContact O-N 3.14Å; D1147-D1149 PolarHBondContact OD1-N 3.26Å; D1149-K1152 WeakPolarHBondContact O-CB 3.35Å; D1149-K1152 PolarHBondContact O-N 3.06Å; D1149-K1152 WeakPolarHBondContact OD1-CD 3.27Å; D1149-K1152 VanDerWaalsContact OD1-CE 3.32Å; D1149-K1152 WeakPolarHBondContact OD1-CE 3.45Å; D1149-K1152 IonicContact OD1-NZ 2.69Å; D1149-K1152 PolarHBondContact OD1-NZ 2.83Å; D1149-L1153 WeakPolarHBondContact O-CB 3.47Å; D1149-L1153 VanDerWaalsContact O-CG 3.29Å; D1149-L1153 WeakPolarHBondContact O-CG 3.35Å; D1149-L1153 PolarHBondContact O-N 3.04Å
1150T87.8Confident88.8Confident12 Ų1254.9 Ų54.97%0.07431%0.312CS..Hα-helixtrans-68.3-37167.1-58.10000111.4G1126 D1147 K1152 L1153 Y1154G1126-T1150 VanDerWaalsContact O-CG2 3.25Å; G1126-T1150 WeakPolarHBondContact O-CG2 3.31Å; D1147-T1150 WeakPolarHBondContact OD1-CA 3.38Å; D1147-T1150 WeakPolarHBondContact OD1-CB 3.33Å; D1147-T1150 PolarHBondContact OD1-N 2.96Å; D1147-T1150 PolarHBondContact OD1-OG1 3.12Å; T1150-K1152 VanDerWaalsContact C-N 3.29Å; T1150-K1152 PolarHBondContact O-N 2.88Å; T1150-L1153 PolarHBondContact O-N 2.86Å; T1150-Y1154 HydrophobicContact CG2-CD2 3.55Å; T1150-Y1154 HydrophobicContact CG2-CE2 3.43Å; T1150-Y1154 VanDerWaalsContact CG2-CE2 3.43Å; T1150-Y1154 WeakPolarHBondContact O-CD2 3.11Å; T1150-Y1154 PolarHBondContact O-N 3.04Å
1151A88.1Confident88.8Confident38 Ų3855.5 Ų55.531%0.31432%0.319SS..Hα-helixtrans-62.7-33.6170.500000112.7M1145 D1147 L1148 S1155M1145-A1151 HydrophobicContact CB-CB 4.01Å; M1145-A1151 HydrophobicContact CG-CB 3.83Å; D1147-A1151 PolarHBondContact O-N 2.78Å; D1147-A1151 VanDerWaalsContact O-N 3.12Å; L1148-A1151 WeakPolarHBondContact O-CB 3.41Å; L1148-A1151 PolarHBondContact O-N 3.44Å; A1151-S1155 PolarHBondContact O-N 3.39Å
1152K86.8Confident88.9Confident82 Ų8254 Ų5436%0.35731%0.313SS..Hα-helixtrans-69.3-45.2169.3-66.1170.1-166.2163.60111.6L1148 D1149 T1150 Y1154 S1155L1148-K1152 WeakPolarHBondContact O-CG 3.36Å; L1148-K1152 PolarHBondContact O-N 3.24Å; D1149-K1152 WeakPolarHBondContact O-CB 3.35Å; D1149-K1152 PolarHBondContact O-N 3.06Å; D1149-K1152 WeakPolarHBondContact OD1-CD 3.27Å; D1149-K1152 VanDerWaalsContact OD1-CE 3.32Å; D1149-K1152 WeakPolarHBondContact OD1-CE 3.45Å; D1149-K1152 IonicContact OD1-NZ 2.69Å; D1149-K1152 PolarHBondContact OD1-NZ 2.83Å; T1150-K1152 VanDerWaalsContact C-N 3.29Å; T1150-K1152 PolarHBondContact O-N 2.88Å; K1152-Y1154 PolarHBondContact O-N 2.85Å; K1152-S1155 WeakPolarHBondContact O-CB 3.26Å; K1152-S1155 PolarHBondContact O-N 2.88Å; K1152-S1155 PolarHBondContact O-OG 3.25Å
1153L85.3Confident88.9Confident43 Ų4354.5 Ų54.523%0.22532%0.316CS..Hα-helixtrans-61.3-41.5-177.7-76.7168.6000113P1095 V1101 D1149 T1150 S1155P1095-L1153 HydrophobicContact CB-CD2 3.86Å; V1101-L1153 HydrophobicContact CG1-CB 4.02Å; V1101-L1153 HydrophobicContact CG1-CD1 4.23Å; V1101-L1153 HydrophobicContact CG1-CD2 4.06Å; V1101-L1153 HydrophobicContact CG1-CG 4.34Å; V1101-L1153 HydrophobicContact CG2-CB 4.26Å; V1101-L1153 VanDerWaalsContact CG2-O 3.3Å; V1101-L1153 WeakPolarHBondContact CG2-O 3.25Å; D1149-L1153 WeakPolarHBondContact O-CB 3.47Å; D1149-L1153 VanDerWaalsContact O-CG 3.29Å; D1149-L1153 WeakPolarHBondContact O-CG 3.35Å; D1149-L1153 PolarHBondContact O-N 3.04Å; T1150-L1153 PolarHBondContact O-N 2.86Å; L1153-S1155 VanDerWaalsContact C-N 3.32Å
1154Y90.1Very high88.9Confident2 Ų248.9 Ų48.91%0.00829%0.29CS..THydrogen-bonded Turntrans-85.83.1174.7-67.4-64.3000114.3V1101 L1117 F1125 F1127 M1145 T1150 K1152 G1156 L1157 L1158V1101-Y1154 HydrophobicContact CB-CD1 4.35Å; V1101-Y1154 HydrophobicContact CB-CE1 3.83Å; V1101-Y1154 HydrophobicContact CG2-CD1 3.66Å; V1101-Y1154 HydrophobicContact CG2-CE1 3.67Å; V1101-Y1154 HydrophobicContact CG2-CG 4.41Å; L1117-Y1154 HydrophobicContact CD1-CE1 4.09Å; L1117-Y1154 HydrophobicContact CD2-CD1 4.42Å; L1117-Y1154 HydrophobicContact CD2-CE1 4.12Å; F1125-Y1154 WeakPolarHBondContact O-CE2 3.43Å; F1125-Y1154 PolarHBondContact O-OH 3.12Å; F1127-Y1154 HydrophobicContact CD1-CD2 4.42Å; F1127-Y1154 AromaticContact CD1-CE2 3.8Å; F1127-Y1154 HydrophobicContact CD1-CE2 3.8Å; F1127-Y1154 AromaticContact CD1-CZ 3.99Å; F1127-Y1154 HydrophobicContact CE1-CE2 4.44Å; M1145-Y1154 HydrophobicContact SD-CD2 4.28Å; T1150-Y1154 HydrophobicContact CG2-CD2 3.55Å; T1150-Y1154 HydrophobicContact CG2-CE2 3.43Å; T1150-Y1154 VanDerWaalsContact CG2-CE2 3.43Å; T1150-Y1154 WeakPolarHBondContact O-CD2 3.11Å; T1150-Y1154 PolarHBondContact O-N 3.04Å; K1152-Y1154 PolarHBondContact O-N 2.85Å; Y1154-G1156 PolarHBondContact O-N 2.81Å; Y1154-L1157 HydrophobicContact CD1-CD1 4.49Å; Y1154-L1157 WeakPolarHBondContact O-CA 3.11Å; Y1154-L1157 WeakPolarHBondContact O-CB 3.36Å; Y1154-L1157 PolarHBondContact O-N 3.01Å; Y1154-L1158 PolarHBondContact O-N 2.84Å
1155S85.9Confident88.9Confident85 Ų8549.5 Ų49.559%0.59429%0.287SS*.THydrogen-bonded Turntrans-60124.5-178.369.90000111.2A1151 K1152 L1153 L1157A1151-S1155 PolarHBondContact O-N 3.39Å; K1152-S1155 WeakPolarHBondContact O-CB 3.26Å; K1152-S1155 PolarHBondContact O-N 2.88Å; K1152-S1155 PolarHBondContact O-OG 3.25Å; L1153-S1155 VanDerWaalsContact C-N 3.32Å; S1155-L1157 VanDerWaalsContact C-N 3.32Å; S1155-L1157 PolarHBondContact O-N 2.99Å
1156G86.3Confident88.9Confident59 Ų5949.5 Ų49.561%0.60829%0.287SS*.THydrogen-bonded Turntrans85.5-10.3-173.100000115.7Y1154 R1196Y1154-G1156 PolarHBondContact O-N 2.81Å; G1156-R1196 PolarHBondContact O-NH2 2.69Å
1157L91.3Very high89Confident24 Ų2447 Ų4713%0.12627%0.265CS..THydrogen-bonded Turntrans-99.2-56.5168.7-67.4177.6000111.8V1101 V1104 L1115 L1117 Y1154 S1155 R1196V1101-L1157 HydrophobicContact CG2-CD1 4.21Å; V1104-L1157 HydrophobicContact CG2-CD2 3.99Å; L1115-L1157 WeakPolarHBondContact CD1-O 3.32Å; L1115-L1157 HydrophobicContact CD2-CD2 4.49Å; L1117-L1157 HydrophobicContact CD2-CD1 4.48Å; Y1154-L1157 HydrophobicContact CD1-CD1 4.49Å; Y1154-L1157 WeakPolarHBondContact O-CA 3.11Å; Y1154-L1157 WeakPolarHBondContact O-CB 3.36Å; Y1154-L1157 PolarHBondContact O-N 3.01Å; S1155-L1157 VanDerWaalsContact C-N 3.32Å; S1155-L1157 PolarHBondContact O-N 2.99Å; L1157-R1196 PolarHBondContact O-NH2 3.43Å
1158L92Very high88.9Confident2 Ų246 Ų461%0.0128%0.275CS..  trans-144.3141.9-169.7-168.868.4000110.6L1115 L1117 F1127 V1142 Y1154 D1162 I1192 V1194L1115-L1158 HydrophobicContact CD1-CD1 4.34Å; L1117-L1158 HydrophobicContact CD1-CD2 4.4Å; F1127-L1158 HydrophobicContact CD1-CD2 4.04Å; F1127-L1158 HydrophobicContact CD2-CD2 4.13Å; F1127-L1158 HydrophobicContact CE1-CD2 3.98Å; F1127-L1158 HydrophobicContact CE2-CD2 4.08Å; F1127-L1158 HydrophobicContact CG-CD2 4.12Å; F1127-L1158 HydrophobicContact CZ-CD2 4.01Å; V1142-L1158 HydrophobicContact CG2-CD1 3.8Å; V1142-L1158 HydrophobicContact CG2-CD2 3.87Å; V1142-L1158 HydrophobicContact CG2-CG 3.85Å; Y1154-L1158 PolarHBondContact O-N 2.84Å; L1158-D1162 HydrophobicContact CD1-CB 4.1Å; L1158-I1192 HydrophobicContact CD1-CD1 4.44Å; L1158-I1192 HydrophobicContact CD2-CD1 4.5Å; L1158-V1194 HydrophobicContact CD1-CG1 3.97Å; L1158-V1194 HydrophobicContact CD1-CG2 4.07Å
1159R90.6Very high88.7Confident154 Ų15442.4 Ų42.458%0.58127%0.269SS*.  trans-132.2156179.3-61.3-17965-178.5-2.6111.6V1142 G1161 D1162V1142-R1159 WeakPolarHBondContact CB-O 3.09Å; R1159-G1161 PolarHBondContact O-N 3.31Å; R1159-D1162 WeakPolarHBondContact CB-OD2 3.35Å; R1159-D1162 PolarHBondContact N-OD2 2.83Å; R1159-D1162 WeakPolarHBondContact O-CB 3.02Å; R1159-D1162 PolarHBondContact O-N 2.8Å; R1159-D1162 VanDerWaalsContact O-N 3.07Å
1160V90.5Very high88.8Confident79 Ų7941.1 Ų41.148%0.47927%0.269SS..THydrogen-bonded Turntrans-56.8132.2164.8177.30000109.1V1142 Q1143 M1145V1142-V1160 CarbonylContact O-C 3.41Å; V1142-V1160 WeakPolarHBondContact O-CA 3.4Å; Q1143-V1160 WeakPolarHBondContact O-CG1 3.36Å; M1145-V1160 HydrophobicContact CE-CG2 4.5Å; M1145-V1160 HydrophobicContact CG-CG2 4.08Å
1161G87.8Confident88.9Confident14 Ų1447.6 Ų47.614%0.14430%0.296CS..THydrogen-bonded Turntrans96.3-24.9-172.200000114.8V1142 R1159 Q1197V1142-G1161 PolarHBondContact O-N 2.68Å; R1159-G1161 PolarHBondContact O-N 3.31Å; G1161-Q1197 VanDerWaalsContact O-CG 3.25Å; G1161-Q1197 WeakPolarHBondContact O-CG 3.19Å; G1161-Q1197 PolarHBondContact O-NE2 2.65Å
1162D90.9Very high88.8Confident3 Ų345.8 Ų45.82%0.01628%0.281CS..  trans-61.2140.4-179.1-73.6-23000111.7Y1141 V1142 L1158 R1159 V1194 R1196 Q1197Y1141-D1162 WeakPolarHBondContact CA-O 3.34Å; V1142-D1162 PolarHBondContact N-O 3.26Å; L1158-D1162 HydrophobicContact CD1-CB 4.1Å; R1159-D1162 WeakPolarHBondContact CB-OD2 3.35Å; R1159-D1162 PolarHBondContact N-OD2 2.83Å; R1159-D1162 WeakPolarHBondContact O-CB 3.02Å; R1159-D1162 PolarHBondContact O-N 2.8Å; R1159-D1162 VanDerWaalsContact O-N 3.07Å; D1162-V1194 HydrophobicContact CB-CG1 3.76Å; D1162-R1196 VanDerWaalsContact OD1-CA 3.26Å; D1162-R1196 WeakPolarHBondContact OD1-CA 3.43Å; D1162-Q1197 PolarHBondContact OD1-N 2.62Å
1163E90.9Very high88.4Confident12 Ų1244.5 Ų44.56%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-98.2122.1-173.1-178.3173.3-125.100110.3R1135 L1140 Y1141 L1165 V1194 L1195R1135-E1163 WeakPolarHBondContact CD-OE1 3.48Å; R1135-E1163 WeakPolarHBondContact CG-OE1 3.27Å; R1135-E1163 IonicContact CZ-OE2 3.69Å; R1135-E1163 VanDerWaalsContact NE-CD 3.28Å; R1135-E1163 IonicContact NE-OE1 3.8Å; R1135-E1163 PolarHBondContact NE-OE1 3.33Å; R1135-E1163 VanDerWaalsContact NE-OE1 3.15Å; R1135-E1163 IonicContact NE-OE2 3.34Å; R1135-E1163 PolarHBondContact NE-OE2 3.39Å; R1135-E1163 IonicContact NH2-OE2 3.82Å; R1135-E1163 PolarHBondContact NH2-OE2 3.01Å; L1140-E1163 CarbonylContact O-C 3.59Å; L1140-E1163 WeakPolarHBondContact O-CA 3.37Å; Y1141-E1163 HydrophobicContact CD1-CB 3.73Å; Y1141-E1163 HydrophobicContact CD1-CG 4.03Å; Y1141-E1163 HydrophobicContact CE1-CB 3.56Å; Y1141-E1163 HydrophobicContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-CG 3.49Å; Y1141-E1163 VanDerWaalsContact CE1-OE1 3.26Å; Y1141-E1163 WeakPolarHBondContact CE1-OE1 3.11Å; Y1141-E1163 VanDerWaalsContact CZ-OE1 3.24Å; Y1141-E1163 PolarHBondContact OH-OE1 2.85Å; E1163-L1165 HydrophobicContact CG-CD2 3.91Å; E1163-V1194 CarbonylContact O-C 3.57Å; E1163-V1194 VanDerWaalsContact O-CA 3.29Å; E1163-V1194 WeakPolarHBondContact O-CA 3.28Å; E1163-L1195 HydrophobicContact CB-CB 4.27Å; E1163-L1195 PolarHBondContact N-O 3.11Å; E1163-L1195 PolarHBondContact O-N 3.4Å; E1163-L1195 WeakPolarHBondContact OE2-CD2 3.38Å
1164I91.1Very high87.7Confident3 Ų346 Ų462%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-96.6114.3179.4-58.3170.8000108F1127 V1129 L1140 V1142 V1167 V1172 I1192 V1194F1127-I1164 HydrophobicContact CE2-CD1 4.48Å; V1129-I1164 HydrophobicContact CG1-CD1 3.81Å; L1140-I1164 HydrophobicContact CB-CB 4.48Å; L1140-I1164 HydrophobicContact CD2-CB 4.06Å; L1140-I1164 HydrophobicContact CD2-CD1 4.22Å; L1140-I1164 HydrophobicContact CD2-CG2 4.19Å; L1140-I1164 PolarHBondContact O-N 3.3Å; V1142-I1164 HydrophobicContact CG2-CD1 3.99Å; V1142-I1164 HydrophobicContact CG2-CG1 4.39Å; I1164-V1167 HydrophobicContact CG2-CG2 3.69Å; I1164-V1172 HydrophobicContact CG2-CG2 4.31Å; I1164-I1192 HydrophobicContact CD1-CD1 4.48Å; I1164-I1192 HydrophobicContact CG2-CB 4.22Å; I1164-I1192 HydrophobicContact CG2-CG2 4.32Å; I1164-V1194 HydrophobicContact CG1-CG2 4.38Å
1165L89.8Confident87.1Confident49 Ų4947.9 Ų47.926%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-94.3-31.9-175.8-59175.5000112.7T1112 E1163 V1172 R1193 L1195T1112-L1165 HydrophobicContact CG2-CD1 3.55Å; E1163-L1165 HydrophobicContact CG-CD2 3.91Å; L1165-V1172 PolarHBondContact O-N 3.05Å; L1165-R1193 PolarHBondContact N-O 2.61Å; L1165-L1195 HydrophobicContact CD1-CB 4.12Å; L1165-L1195 HydrophobicContact CG-CB 4.49Å
1166E91Very high86.9Confident31 Ų3146.1 Ų46.115%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-138.6144.2-179.9-60.2160.5-162.500110.2A1170 K1171 I1192 R1193E1166-A1170 CarbonylContact C-O 3.57Å; E1166-A1170 WeakPolarHBondContact CA-O 3.46Å; E1166-K1171 HydrophobicContact CG-CG 4.15Å; E1166-I1192 CarbonylContact O-C 3.52Å; E1166-I1192 VanDerWaalsContact O-CA 3.26Å; E1166-I1192 WeakPolarHBondContact O-CA 3.49Å; E1166-R1193 HydrophobicContact CB-CB 3.74Å; E1166-R1193 HydrophobicContact CG-CB 4.09Å; E1166-R1193 PolarHBondContact O-N 3.47Å; E1166-R1193 WeakPolarHBondContact OE1-CD 3.39Å; E1166-R1193 IonicContact OE1-CZ 3.04Å; E1166-R1193 IonicContact OE1-NE 3.49Å; E1166-R1193 IonicContact OE1-NH1 2.69Å; E1166-R1193 PolarHBondContact OE1-NH1 3.38Å; E1166-R1193 VanDerWaalsContact OE2-CD 3.28Å; E1166-R1193 WeakPolarHBondContact OE2-CD 3.25Å
1167V90.8Very high86.8Confident7 Ų746.1 Ų46.14%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-131.3125.7173.9179.50000108I1164 G1169 A1170 V1172 L1183 L1190 I1192I1164-V1167 HydrophobicContact CG2-CG2 3.69Å; V1167-G1169 PolarHBondContact O-N 2.92Å; V1167-G1169 VanDerWaalsContact O-N 3.14Å; V1167-A1170 PolarHBondContact N-O 3.06Å; V1167-A1170 PolarHBondContact O-N 3.42Å; V1167-V1172 HydrophobicContact CB-CG2 4.5Å; V1167-V1172 HydrophobicContact CG2-CG2 3.76Å; V1167-L1183 HydrophobicContact CG1-CD1 4.29Å; V1167-L1190 HydrophobicContact CG1-CD1 3.9Å; V1167-L1190 HydrophobicContact CG1-CG 4.5Å; V1167-I1192 HydrophobicContact CG1-CG2 4.42Å; V1167-I1192 HydrophobicContact CG2-CG2 4.1Å
1168G86.9Confident86.5Confident65 Ų6548.8 Ų48.867%0.6733%0.328SS*.THydrogen-bonded Turntrans65.98.7-174.700000114.9S1191G1168-S1191 PolarHBondContact N-O 3.36Å
1169G84.8Confident86.1Confident51 Ų5152.6 Ų52.653%0.52635%0.346SS..THydrogen-bonded Turntrans90-7.6-169.400000114.2V1167V1167-G1169 PolarHBondContact O-N 2.92Å; V1167-G1169 VanDerWaalsContact O-N 3.14Å
1170A86.7Confident85.9Confident48 Ų4845.5 Ų45.540%0.39732%0.319SS..EExtended strand (participates in β ladder)trans-84.5135.7169.500000110.3E1166 V1167 L1175E1166-A1170 CarbonylContact C-O 3.57Å; E1166-A1170 WeakPolarHBondContact CA-O 3.46Å; V1167-A1170 PolarHBondContact N-O 3.06Å; V1167-A1170 PolarHBondContact O-N 3.42Å; A1170-L1175 HydrophobicContact CB-CD1 4.06Å
1171K88.2Confident85.7Confident148 Ų14847.4 Ų47.464%0.64332%0.321SS*.EExtended strand (participates in β ladder)trans-65.7134.5174.9-70.5-177.4178.9179.50110.5E1166 A1173E1166-K1171 HydrophobicContact CG-CG 4.15Å; K1171-A1173 HydrophobicContact CB-CB 4.25Å; K1171-A1173 PolarHBondContact O-N 2.94Å
1172V86.2Confident85.6Confident0 Ų051.5 Ų51.50%034%0.336CS..G310 helixtrans-66.2-20.7176.8-179.40000112.1S1138 L1140 I1164 L1165 V1167 G1174 L1175 I1180S1138-V1172 PolarHBondContact OG-O 2.94Å; L1140-V1172 HydrophobicContact CB-CG1 3.61Å; L1140-V1172 HydrophobicContact CD2-CG1 4.2Å; L1140-V1172 HydrophobicContact CD2-CG2 4.34Å; L1140-V1172 HydrophobicContact CG-CG1 4.39Å; I1164-V1172 HydrophobicContact CG2-CG2 4.31Å; L1165-V1172 PolarHBondContact O-N 3.05Å; V1167-V1172 HydrophobicContact CB-CG2 4.5Å; V1167-V1172 HydrophobicContact CG2-CG2 3.76Å; V1172-G1174 PolarHBondContact O-N 3.48Å; V1172-L1175 PolarHBondContact O-N 2.87Å; V1172-I1180 HydrophobicContact CG1-CD1 3.66Å
1173A78.4Confident85.4Confident56 Ų5654 Ų5446%0.46335%0.349SS..G310 helixtrans-49-20.2176.900000116.4D1137 K1171D1137-A1173 WeakPolarHBondContact O-CA 3.29Å; D1137-A1173 VanDerWaalsContact O-CB 3.27Å; D1137-A1173 WeakPolarHBondContact O-CB 3.4Å; K1171-A1173 HydrophobicContact CB-CB 4.25Å; K1171-A1173 PolarHBondContact O-N 2.94Å
1174G71.9Confident85.2Confident74 Ų7454.6 Ų54.676%0.76335%0.353SS*.G310 helixtrans-126.88.9175.800000115.3V1172V1172-G1174 PolarHBondContact O-N 3.48Å
1175L77.9Confident84.9Confident42 Ų4256.9 Ų56.922%0.2237%0.372CS..  trans-101.6121.1-176.1-59.7-178.5000111.3A1170 V1172 I1180A1170-L1175 HydrophobicContact CB-CD1 4.06Å; V1172-L1175 PolarHBondContact O-N 2.87Å; L1175-I1180 HydrophobicContact CB-CD1 3.97Å; L1175-I1180 HydrophobicContact CB-CG1 3.83Å; L1175-I1180 WeakPolarHBondContact O-CD1 3.42Å
1176G80.3Confident84.7Confident47 Ų4761.2 Ų61.249%0.48539%0.391SS..  trans-64.1140.8175.200000112.2A1178 H1179 I1180G1176-A1178 PolarHBondContact O-N 2.83Å; G1176-H1179 PolarHBondContact O-N 3.03Å; G1176-I1180 PolarHBondContact O-N 2.89Å
1177L84.1Confident84.5Confident59 Ų5961.1 Ų61.131%0.30940%0.395SS..Hα-helixtrans-55.8-27.5-178.3-177.462.2000113.6V1129 L1140 K1181V1129-L1177 HydrophobicContact CG2-CD1 4.4Å; L1140-L1177 HydrophobicContact CD1-CD1 3.95Å; L1177-K1181 HydrophobicContact CG-CD 4.36Å; L1177-K1181 WeakPolarHBondContact O-CB 3.31Å; L1177-K1181 VanDerWaalsContact O-CG 3.26Å; L1177-K1181 WeakPolarHBondContact O-CG 3.45Å; L1177-K1181 PolarHBondContact O-N 3.45Å
1178A84.8Confident84.3Confident81 Ų8168.5 Ų68.567%0.66943%0.429SS*.Hα-helixtrans-62.9-50.5172.400000112G1176 I1180 K1181 E1182G1176-A1178 PolarHBondContact O-N 2.83Å; A1178-I1180 VanDerWaalsContact C-N 3.35Å; A1178-I1180 PolarHBondContact O-N 3.03Å; A1178-K1181 WeakPolarHBondContact O-CB 3.31Å; A1178-K1181 PolarHBondContact O-N 3.17Å; A1178-E1182 WeakPolarHBondContact O-CB 3.39Å; A1178-E1182 PolarHBondContact O-N 3.31Å
1179H85Confident84.3Confident82 Ų8267.9 Ų67.938%0.3842%0.415SS..Hα-helixtrans-67.1-34.5178.2-17460.4000112.3G1176 E1182 L1183G1176-H1179 PolarHBondContact O-N 3.03Å; H1179-E1182 IonicContact CE1-OE2 3.87Å; H1179-E1182 IonicContact CG-OE2 2.65Å; H1179-E1182 IonicContact ND1-OE2 3.07Å; H1179-E1182 PolarHBondContact ND1-OE2 2.64Å; H1179-E1182 WeakPolarHBondContact O-CB 3.35Å; H1179-E1182 PolarHBondContact O-N 3.1Å; H1179-L1183 WeakPolarHBondContact O-CG 3.31Å; H1179-L1183 PolarHBondContact O-N 3Å
1180I86.7Confident84.7Confident4 Ų465.8 Ų65.82%0.02139%0.391CS..Hα-helixtrans-63.9-42.4172.8-61.7168.5000111V1129 L1140 V1172 L1175 G1176 A1178 E1182 L1183 L1184V1129-I1180 HydrophobicContact CG2-CG2 4.16Å; L1140-I1180 HydrophobicContact CD1-CD1 4.18Å; L1140-I1180 HydrophobicContact CD1-CG2 4.4Å; L1140-I1180 HydrophobicContact CD2-CD1 4.25Å; L1140-I1180 HydrophobicContact CD2-CG2 3.77Å; V1172-I1180 HydrophobicContact CG1-CD1 3.66Å; L1175-I1180 HydrophobicContact CB-CD1 3.97Å; L1175-I1180 HydrophobicContact CB-CG1 3.83Å; L1175-I1180 WeakPolarHBondContact O-CD1 3.42Å; G1176-I1180 PolarHBondContact O-N 2.89Å; A1178-I1180 VanDerWaalsContact C-N 3.35Å; A1178-I1180 PolarHBondContact O-N 3.03Å; I1180-E1182 VanDerWaalsContact C-N 3.34Å; I1180-L1183 PolarHBondContact O-N 2.83Å; I1180-L1184 HydrophobicContact CG2-CD1 4.18Å; I1180-L1184 WeakPolarHBondContact O-CB 3.3Å; I1180-L1184 VanDerWaalsContact O-CG 3.3Å; I1180-L1184 WeakPolarHBondContact O-CG 3.42Å; I1180-L1184 PolarHBondContact O-N 3.26Å
1181K85.2Confident85Confident120 Ų12064.9 Ų64.952%0.52238%0.382SS..Hα-helixtrans-64-39.1173.9-75.7171177.31800111.8L1177 A1178 L1184 A1185L1177-K1181 HydrophobicContact CG-CD 4.36Å; L1177-K1181 WeakPolarHBondContact O-CB 3.31Å; L1177-K1181 VanDerWaalsContact O-CG 3.26Å; L1177-K1181 WeakPolarHBondContact O-CG 3.45Å; L1177-K1181 PolarHBondContact O-N 3.45Å; A1178-K1181 WeakPolarHBondContact O-CB 3.31Å; A1178-K1181 PolarHBondContact O-N 3.17Å; K1181-L1184 CarbonylContact O-C 3.57Å; K1181-L1184 PolarHBondContact O-N 3.2Å; K1181-A1185 VanDerWaalsContact O-CB 3.23Å; K1181-A1185 WeakPolarHBondContact O-CB 3.47Å; K1181-A1185 PolarHBondContact O-N 3.14Å
1182E86.4Confident85.2Confident99 Ų9957.9 Ų57.946%0.46335%0.352SS..Hα-helixtrans-63.1-45.9175-178-176.6-147.100112.2A1178 H1179 I1180 L1184 A1185 H1186A1178-E1182 WeakPolarHBondContact O-CB 3.39Å; A1178-E1182 PolarHBondContact O-N 3.31Å; H1179-E1182 IonicContact CE1-OE2 3.87Å; H1179-E1182 IonicContact CG-OE2 2.65Å; H1179-E1182 IonicContact ND1-OE2 3.07Å; H1179-E1182 PolarHBondContact ND1-OE2 2.64Å; H1179-E1182 WeakPolarHBondContact O-CB 3.35Å; H1179-E1182 PolarHBondContact O-N 3.1Å; I1180-E1182 VanDerWaalsContact C-N 3.34Å; E1182-L1184 PolarHBondContact O-N 3.38Å; E1182-A1185 CarbonylContact O-C 3.54Å; E1182-A1185 WeakPolarHBondContact O-CA 3.41Å; E1182-A1185 WeakPolarHBondContact O-CB 3.5Å; E1182-A1185 PolarHBondContact O-N 3.01Å; E1182-H1186 PolarHBondContact O-N 3.14Å; E1182-H1186 PolarHBondContact O-ND1 3.07Å
1183L86.4Confident85.6Confident55 Ų5560.1 Ų60.129%0.28836%0.36SS..Hα-helixtrans-59.8-45.3173.4-71.8170.2000111.4V1167 H1179 I1180 A1185 H1186 A1187V1167-L1183 HydrophobicContact CG1-CD1 4.29Å; H1179-L1183 WeakPolarHBondContact O-CG 3.31Å; H1179-L1183 PolarHBondContact O-N 3Å; I1180-L1183 PolarHBondContact O-N 2.83Å; L1183-A1185 PolarHBondContact O-N 3.4Å; L1183-H1186 PolarHBondContact O-N 3.03Å; L1183-A1187 VanDerWaalsContact O-CB 3.26Å; L1183-A1187 WeakPolarHBondContact O-CB 3.3Å; L1183-A1187 PolarHBondContact O-N 3.1Å
1184L87.1Confident86.3Confident26 Ų2657.5 Ų57.514%0.13634%0.338CS..Hα-helixtrans-64.7-25.3174-70.9170.8000113.1R1119 F1125 F1127 V1129 I1180 K1181 E1182 L1190R1119-L1184 PolarHBondContact NH2-O 3.06Å; F1125-L1184 HydrophobicContact CD2-CD2 4.11Å; F1127-L1184 HydrophobicContact CE2-CD2 4.29Å; F1127-L1184 HydrophobicContact CZ-CD2 4.16Å; V1129-L1184 HydrophobicContact CG1-CD1 4.19Å; V1129-L1184 HydrophobicContact CG2-CD1 3.54Å; I1180-L1184 HydrophobicContact CG2-CD1 4.18Å; I1180-L1184 WeakPolarHBondContact O-CB 3.3Å; I1180-L1184 VanDerWaalsContact O-CG 3.3Å; I1180-L1184 WeakPolarHBondContact O-CG 3.42Å; I1180-L1184 PolarHBondContact O-N 3.26Å; K1181-L1184 CarbonylContact O-C 3.57Å; K1181-L1184 PolarHBondContact O-N 3.2Å; E1182-L1184 PolarHBondContact O-N 3.38Å; L1184-L1190 HydrophobicContact CD2-CD1 4.32Å; L1184-L1190 HydrophobicContact CD2-CD2 3.51Å
1185A84.9Confident87.2Confident51 Ų5156 Ų5642%0.42131%0.313SS..Hα-helixtrans-85.5-24177.600000113.5R1119 K1181 E1182 L1183R1119-A1185 PolarHBondContact NH1-O 3.13Å; R1119-A1185 PolarHBondContact NH2-O 2.86Å; R1119-A1185 VanDerWaalsContact NH2-O 3.12Å; K1181-A1185 VanDerWaalsContact O-CB 3.23Å; K1181-A1185 WeakPolarHBondContact O-CB 3.47Å; K1181-A1185 PolarHBondContact O-N 3.14Å; E1182-A1185 CarbonylContact O-C 3.54Å; E1182-A1185 WeakPolarHBondContact O-CA 3.41Å; E1182-A1185 WeakPolarHBondContact O-CB 3.5Å; E1182-A1185 PolarHBondContact O-N 3.01Å; L1183-A1185 PolarHBondContact O-N 3.4Å
1186H84.6Confident87.6Confident140 Ų14058.3 Ų58.365%0.64832%0.318SS*.Hα-helixtrans-115.3-31.8-176.3-60.6103.1000116.3R1119 E1182 L1183 E1188R1119-H1186 VanDerWaalsContact NH2-N 3.13Å; E1182-H1186 PolarHBondContact O-N 3.14Å; E1182-H1186 PolarHBondContact O-ND1 3.07Å; L1183-H1186 PolarHBondContact O-N 3.03Å; H1186-E1188 PolarHBondContact O-N 3.19Å
1187A86.2Confident87.4Confident29 Ų2961.6 Ų61.624%0.2432%0.321CS..  trans-69.5121.9-178.200000113.8R1119 F1125 L1183 S1189 L1190R1119-A1187 PolarHBondContact NE-O 3.01Å; R1119-A1187 PolarHBondContact NH2-O 3.11Å; F1125-A1187 VanDerWaalsContact CE2-O 3.24Å; F1125-A1187 WeakPolarHBondContact CE2-O 3.49Å; F1125-A1187 WeakPolarHBondContact CZ-O 3.15Å; L1183-A1187 VanDerWaalsContact O-CB 3.26Å; L1183-A1187 WeakPolarHBondContact O-CB 3.3Å; L1183-A1187 PolarHBondContact O-N 3.1Å; A1187-S1189 VanDerWaalsContact C-N 3.33Å; A1187-L1190 HydrophobicContact CB-CD1 4.2Å
1188E86.7Confident86.3Confident161 Ų16169.1 Ų69.175%0.75235%0.346SS*.SBendtrans-66.9-33.6173.1-59.9-173.615600112.8R1119 H1186R1119-E1188 VanDerWaalsContact CB-O 3.28Å; R1119-E1188 WeakPolarHBondContact CB-O 3.5Å; R1119-E1188 PolarHBondContact N-O 3.38Å; H1186-E1188 PolarHBondContact O-N 3.19Å
1189S88.6Confident84.8Confident52 Ų5270.1 Ų70.136%0.36435%0.345SS..EExtended strand (participates in β ladder)trans-132.4130.4-178.6-176.20000108.7Q1116 L1117 A1187Q1116-S1189 PolarHBondContact NE2-OG 3.49Å; Q1116-S1189 VanDerWaalsContact NE2-OG 3.14Å; L1117-S1189 WeakPolarHBondContact O-CA 3.29Å; A1187-S1189 VanDerWaalsContact C-N 3.33Å
1190L91.4Very high82.8Confident7 Ų771.9 Ų71.94%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-125.8112.9-170.7-167.285.8000109.8Q1116 L1117 F1125 F1127 V1167 L1184 A1187 I1192Q1116-L1190 WeakPolarHBondContact CA-O 3.37Å; L1117-L1190 PolarHBondContact N-O 3.25Å; L1117-L1190 PolarHBondContact O-N 2.96Å; F1125-L1190 HydrophobicContact CE1-CB 3.98Å; F1125-L1190 HydrophobicContact CE2-CB 4.15Å; F1125-L1190 HydrophobicContact CE2-CD2 4.47Å; F1125-L1190 HydrophobicContact CZ-CB 3.57Å; F1127-L1190 HydrophobicContact CZ-CD2 4.41Å; V1167-L1190 HydrophobicContact CG1-CD1 3.9Å; V1167-L1190 HydrophobicContact CG1-CG 4.5Å; L1184-L1190 HydrophobicContact CD2-CD1 4.32Å; L1184-L1190 HydrophobicContact CD2-CD2 3.51Å; A1187-L1190 HydrophobicContact CB-CD1 4.2Å; L1190-I1192 HydrophobicContact CD2-CG2 3.53Å; L1190-I1192 HydrophobicContact CG-CG2 3.81Å
1191S93Very high80.4Confident29 Ų2977.2 Ų77.220%0.20340%0.396CS..EExtended strand (participates in β ladder)trans-85.7125.9167.9-167.80000108.9Q1114 L1115 G1168Q1114-S1191 PolarHBondContact NE2-OG 3.24Å; L1115-S1191 CarbonylContact O-C 3.57Å; L1115-S1191 WeakPolarHBondContact O-CA 3.44Å; G1168-S1191 PolarHBondContact N-O 3.36Å
1192I93.7Very high77.8Confident2 Ų277.3 Ų77.31%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-133.1141.2176.958.4174.4000111.2Q1114 L1115 L1117 L1158 I1164 E1166 V1167 L1190 V1194Q1114-I1192 CarbonylContact C-O 3.53Å; Q1114-I1192 WeakPolarHBondContact CA-O 3.45Å; L1115-I1192 HydrophobicContact CB-CG1 3.96Å; L1115-I1192 HydrophobicContact CD1-CD1 4.31Å; L1115-I1192 HydrophobicContact CD1-CG1 4.42Å; L1115-I1192 HydrophobicContact CG-CG1 4.47Å; L1115-I1192 PolarHBondContact N-O 3.07Å; L1115-I1192 PolarHBondContact O-N 3.09Å; L1117-I1192 HydrophobicContact CD1-CD1 3.78Å; L1117-I1192 HydrophobicContact CD1-CG1 4.48Å; L1117-I1192 HydrophobicContact CG-CD1 4.34Å; L1158-I1192 HydrophobicContact CD1-CD1 4.44Å; L1158-I1192 HydrophobicContact CD2-CD1 4.5Å; I1164-I1192 HydrophobicContact CD1-CD1 4.48Å; I1164-I1192 HydrophobicContact CG2-CB 4.22Å; I1164-I1192 HydrophobicContact CG2-CG2 4.32Å; E1166-I1192 CarbonylContact O-C 3.52Å; E1166-I1192 VanDerWaalsContact O-CA 3.26Å; E1166-I1192 WeakPolarHBondContact O-CA 3.49Å; V1167-I1192 HydrophobicContact CG1-CG2 4.42Å; V1167-I1192 HydrophobicContact CG2-CG2 4.1Å; L1190-I1192 HydrophobicContact CD2-CG2 3.53Å; L1190-I1192 HydrophobicContact CG-CG2 3.81Å; I1192-V1194 HydrophobicContact CB-CG2 4.33Å; I1192-V1194 HydrophobicContact CD1-CG2 3.66Å; I1192-V1194 HydrophobicContact CG1-CG2 3.79Å
1193R93.6Very high77.4Confident47 Ų4776.3 Ų76.318%0.17740%0.395CS..EExtended strand (participates in β ladder)trans-100.1122.3170-169.4179.3-174.1172.88.9109.1F1108 D1110 T1112 L1165 E1166F1108-R1193 HydrophobicContact CD2-CG 4.24Å; F1108-R1193 VanDerWaalsContact CD2-NE 3.33Å; F1108-R1193 HydrophobicContact CE2-CG 4.03Å; D1110-R1193 IonicContact OD1-NH2 3.88Å; D1110-R1193 IonicContact OD2-CZ 2.97Å; D1110-R1193 IonicContact OD2-NE 3.34Å; D1110-R1193 IonicContact OD2-NH2 2.82Å; D1110-R1193 PolarHBondContact OD2-NH2 3.21Å; T1112-R1193 PolarHBondContact OG1-NE 3.41Å; T1112-R1193 PolarHBondContact OG1-NH2 3.39Å; L1165-R1193 PolarHBondContact N-O 2.61Å; E1166-R1193 HydrophobicContact CB-CB 3.74Å; E1166-R1193 HydrophobicContact CG-CB 4.09Å; E1166-R1193 PolarHBondContact O-N 3.47Å; E1166-R1193 WeakPolarHBondContact OE1-CD 3.39Å; E1166-R1193 IonicContact OE1-CZ 3.04Å; E1166-R1193 IonicContact OE1-NE 3.49Å; E1166-R1193 IonicContact OE1-NH1 2.69Å; E1166-R1193 PolarHBondContact OE1-NH1 3.38Å; E1166-R1193 VanDerWaalsContact OE2-CD 3.28Å; E1166-R1193 WeakPolarHBondContact OE2-CD 3.25Å
1194V93.4Very high76.9Confident0 Ų077.4 Ų77.40%040%0.401CS..EExtended strand (participates in β ladder)trans-121.3125-170.2-175.60000110.5T1112 S1113 L1115 L1158 D1162 E1163 I1164 I1192 R1196T1112-V1194 CarbonylContact C-O 3.59Å; T1112-V1194 WeakPolarHBondContact CA-O 3.4Å; S1113-V1194 PolarHBondContact N-O 2.85Å; S1113-V1194 PolarHBondContact O-N 3.25Å; L1115-V1194 HydrophobicContact CD1-CB 4.42Å; L1115-V1194 HydrophobicContact CD1-CG2 3.8Å; L1115-V1194 HydrophobicContact CG-CG2 4.2Å; L1158-V1194 HydrophobicContact CD1-CG1 3.97Å; L1158-V1194 HydrophobicContact CD1-CG2 4.07Å; D1162-V1194 HydrophobicContact CB-CG1 3.76Å; E1163-V1194 CarbonylContact O-C 3.57Å; E1163-V1194 VanDerWaalsContact O-CA 3.29Å; E1163-V1194 WeakPolarHBondContact O-CA 3.28Å; I1164-V1194 HydrophobicContact CG1-CG2 4.38Å; I1192-V1194 HydrophobicContact CB-CG2 4.33Å; I1192-V1194 HydrophobicContact CD1-CG2 3.66Å; I1192-V1194 HydrophobicContact CG1-CG2 3.79Å; V1194-R1196 HydrophobicContact CG1-CG 4.48Å
1195L90.9Very high76.3Confident42 Ų4280.2 Ų80.222%0.2242%0.416CS..EExtended strand (participates in β ladder)trans-86.5116.1159.2-176.569.3000108.5T1112 E1163 L1165T1112-L1195 HydrophobicContact CG2-CB 4.1Å; T1112-L1195 HydrophobicContact CG2-CD1 3.97Å; E1163-L1195 HydrophobicContact CB-CB 4.27Å; E1163-L1195 PolarHBondContact N-O 3.11Å; E1163-L1195 PolarHBondContact O-N 3.4Å; E1163-L1195 WeakPolarHBondContact OE2-CD2 3.38Å; L1165-L1195 HydrophobicContact CD1-CB 4.12Å; L1165-L1195 HydrophobicContact CG-CB 4.49Å
1196R86.8Confident75.8Confident91 Ų9181.9 Ų81.934%0.34342%0.416SS..  trans-73.8134.4177.8-71.2176.9171.4-177.1-4.7110.6G1156 L1157 D1162 V1194 R1198G1156-R1196 PolarHBondContact O-NH2 2.69Å; L1157-R1196 PolarHBondContact O-NH2 3.43Å; D1162-R1196 VanDerWaalsContact OD1-CA 3.26Å; D1162-R1196 WeakPolarHBondContact OD1-CA 3.43Å; V1194-R1196 HydrophobicContact CG1-CG 4.48Å; R1196-R1198 PolarHBondContact O-N 3.49Å
1197Q76.1Confident75.3Confident116 Ų11678.3 Ų78.354%0.54240%0.401SS..  trans-64111.5165.5-79-168.32.900108.1G1161 D1162G1161-Q1197 VanDerWaalsContact O-CG 3.25Å; G1161-Q1197 WeakPolarHBondContact O-CG 3.19Å; G1161-Q1197 PolarHBondContact O-NE2 2.65Å; D1162-Q1197 PolarHBondContact OD1-N 2.62Å
1198R60.1Low74.5Confident218 Ų21881.6 Ų81.682%0.82341%0.412SS*.PPolyproline II helixtrans-57.8131.5162-63.1-175-172.4-175.44.2106R1196 V1200R1196-R1198 PolarHBondContact O-N 3.49Å; R1198-V1200 PolarHBondContact O-N 3.17Å
1199P54.8Low73.7Confident102 Ų10275.9 Ų75.966%0.66239%0.387SS*.PPolyproline II helixtrans-52123.2163.3-20.431.8000106.9
1200V41.4Very low72.5Confident118 Ų11877.8 Ų77.872%0.71539%0.389SS*.PPolyproline II helixtrans-52.9126.3165.21790000105.2R1198 Q1202R1198-V1200 PolarHBondContact O-N 3.17Å; V1200-Q1202 VanDerWaalsContact C-N 3.33Å; V1200-Q1202 PolarHBondContact O-N 3.35Å
1201P36.2Very low70.9Confident116 Ų11683.7 Ų83.775%0.75342%0.419SS*.  trans-60.5106.317025.9-31.1000105.7
1202Q31.3Very low68.9Low123 Ų12388.6 Ų88.658%0.57544%0.438SS*.  trans-60.90-175-78.3-162.8-113.600110.2F445 D449 V1200F445-Q1202 WeakPolarHBondContact CD1-O 3.3Å; F445-Q1202 WeakPolarHBondContact CE1-O 3.26Å; F445-Q1202 WeakPolarHBondContact CE1-OXT 3.24Å; F445-Q1202 WeakPolarHBondContact CZ-OXT 3.32Å; D449-Q1202 PolarHBondContact OD1-NE2 3.21Å; D449-Q1202 PolarHBondContact OD1-OE1 3.47Å; V1200-Q1202 VanDerWaalsContact C-N 3.33Å; V1200-Q1202 PolarHBondContact O-N 3.35Å

Retrieved 1,202 of 1,202 residues in 653.2 ms (Link to these results)