A0A061HXK2_CRIGR Loading...

SAM and SH3 domain containing 3

AlphaFold DB , UniProt , Accession A0A061HXK2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 380 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M55.5Low54.4Low232 Ų232164.7 Ų164.7100%1.14386%0.86SS**  0126.80-70.2160.863.900108.9
2L51.3Low53.6Low154 Ų154167.4 Ų167.481%0.80686%0.86SS**  trans-155.298.8158.5-138.675.3000109.8
3R59.6Low53.2Low249 Ų249167.8 Ų167.894%0.9486%0.856SS**  trans-81.2128.4174.2-62.117079.2171.45.1107.8
4R65.4Low53Low227 Ų227162.4 Ų162.486%0.85784%0.838SS**  trans-111.5140.2163.8-75.8-173.8171.3168.6-1.9109.8
5K68.7Low51.9Low197 Ų197160.7 Ų160.786%0.85784%0.838SS**  trans-85.7160.3-172.1-72.4-177176.1-177.80111
6P59.8Low51.6Low128 Ų128161.9 Ų161.983%0.83184%0.838SS**  trans-73.7143.1174.731.4-35.2000111.5
7S52.8Low51.3Low128 Ų128163.6 Ų163.690%0.89584%0.838SS**  trans-100.1112.1169.6-64.30000109.1
8N45.8Very low51Low157 Ų157166 Ų16684%0.8484%0.841SS**  trans-110.2124.6172.3-170.50000107.5
9A47.4Very low51.1Low104 Ų104167.3 Ų167.386%0.8684%0.84SS**  trans-146.3114.9175.200000108.4
10S50.5Low50.9Low107 Ų107167.7 Ų167.775%0.74884%0.844SS**  trans-111.5165178.5-171.60000110.4
11D41.3Very low50.7Low129 Ų129164.6 Ų164.669%0.6984%0.838SS**  trans88.698154.1-130.4-90.2000119
12K44.7Very low50.3Low197 Ų197161.3 Ų161.386%0.85782%0.824SS**  -162.9137.995.8-98.6168.9-178.5175.20113.2
13E48.8Very low50.4Low172 Ų172162.7 Ų162.780%0.80483%0.827SS**  trans-83.9-173.3175.6-114.1-149.9128.500111.6
14P50.2Low49.7Very low93 Ų93162.1 Ų162.160%0.60483%0.825SS**  -131.4166.4-52.332.7-15.9000112.8
15T37Very low48.8Very low136 Ų136157.2 Ų157.283%0.83483%0.825SS**  trans-155.7120.2152.6-00000114.4
16Q47.7Very low47.7Very low181 Ų181153.5 Ų153.585%0.84682%0.824SS**  trans48.897.1153.4-62.8-174.47.200120
17K45.8Very low47.1Very low191 Ų191153 Ų15383%0.8382%0.823SS**  trans-80.2128.3163.4-61.6164.3-175164.40110.1
18K46.3Very low46.8Very low206 Ų206155.3 Ų155.390%0.89682%0.818SS**  trans-105.897.2157.7-74.1-176.2179.9177.30109
19K51.7Low47.1Very low191 Ų191155.2 Ų155.283%0.8381%0.81SS**  trans-94.2122.1169-80.7-170.4172.8-172.30109.2S21K19-S21 PolarHBondContact O-N 3.41Å
20L47.6Very low47Very low174 Ų174157.6 Ų157.691%0.91181%0.808SS**  trans-73.1101166.8-68167.1000108.6L22L20-L22 PolarHBondContact O-N 3.14Å
21S48Very low46.9Very low103 Ų103162.9 Ų162.972%0.7282%0.818SS**  trans-81.1109.7169.454.20000109.7K19 Q23K19-S21 PolarHBondContact O-N 3.41Å; S21-Q23 PolarHBondContact O-N 2.85Å
22L45.6Very low47Very low164 Ų164160.6 Ų160.686%0.85982%0.817SS**  trans-60.8109162.8-88.697.2000108.7L20 R24L20-L22 PolarHBondContact O-N 3.14Å; L22-R24 PolarHBondContact O-N 3.31Å; L22-R24 VanDerWaalsContact O-N 3.09Å
23Q53.4Low47.1Very low182 Ų182161.3 Ų161.385%0.8582%0.82SS**  trans-64.6109.1166.8-73.6-176.4-100.700108.6S21 S25S21-Q23 PolarHBondContact O-N 2.85Å; Q23-S25 PolarHBondContact O-N 3.35Å
24R45Very low47Very low238 Ų238159 Ų15990%0.89882%0.823SS**  trans-77.4112.5160.6-68.7177.168.2175.61.4107L22 S26L22-R24 PolarHBondContact O-N 3.31Å; L22-R24 VanDerWaalsContact O-N 3.09Å; R24-S26 PolarHBondContact O-N 3.16Å
25S47.7Very low47.3Very low124 Ų124164 Ų16487%0.86784%0.835SS**  trans-62100.7176-39.70000110.1Q23Q23-S25 PolarHBondContact O-N 3.35Å
26S44.5Very low47.8Very low119 Ų119163.9 Ų163.983%0.83284%0.836SS**  trans-89.2112.5162.2-176.80000107.5R24R24-S26 PolarHBondContact O-N 3.16Å
27S48.1Very low47.4Very low116 Ų116160.6 Ų160.681%0.81183%0.833SS**  trans-129.1109.3170.1-168.90000108.1
28F45.4Very low47.3Very low178 Ų178156.4 Ų156.478%0.78183%0.828SS**  trans-130.4139.7179174.9-96.5000107.7
29K52.4Low47.1Very low155 Ų155152.2 Ų152.267%0.67482%0.822SS**  trans73132-159.6-59.8170.3175177.40111.9
30D45.3Very low46.4Very low154 Ų154148.7 Ų148.782%0.82482%0.816SS**  cis-130.3148.742.7-99.4-72.6000116.6
31F48.4Very low45.8Very low218 Ų218146.2 Ų146.296%0.95681%0.808SS**  trans-120.991.1177.3-117.5-87.4000108.9
32A43.5Very low45.3Very low81 Ų81146.5 Ų146.567%0.66981%0.81SS**  trans-151.9107.2173.900000113.8
33K47.8Very low44.8Very low212 Ų212147 Ų14792%0.92281%0.808SS**  trans48.297.7140.1-60168.8179.2172.80118.1
34S46.4Very low44.1Very low123 Ų123147.5 Ų147.586%0.8681%0.807SS**  trans-139.6138.5133.951.80000109.9
35K54.8Low43.8Very low199 Ų199144.2 Ų144.287%0.86580%0.802SS**PPolyproline II helixtrans-84.8143179.5-59.6175.3-179.51790108.8S37K35-S37 PolarHBondContact O-N 2.71Å
36P48.1Very low42.8Very low133 Ų133147.9 Ų147.986%0.86480%0.803SS**PPolyproline II helixtrans-68.5116.6163.228.8-31.1000108.9
37S39.1Very low42.2Very low112 Ų112148.6 Ų148.678%0.78380%0.797SS**PPolyproline II helixtrans-85.2125.9166.7-171.70000108.6K35K35-S37 PolarHBondContact O-N 2.71Å
38S43.6Very low41.6Very low102 Ų102150.4 Ų150.471%0.71380%0.797SS**PPolyproline II helixtrans-65.9145168.5-56.50000111.1
39P42.8Very low41Very low118 Ų118148.9 Ų148.977%0.76680%0.797SS**  trans-95.5110.9136.131.1-22000107.3
40V36Very low40.1Very low118 Ų118147.6 Ų147.672%0.71580%0.798SS**  58.1104.487.8177.60000111.1
41V34.9Very low39.4Very low121 Ų121147 Ų14773%0.73379%0.794SS**  trans-62127.5165.1177.30000107.9E43V41-E43 HydrophobicContact CG1-CG 4Å
42S37.6Very low38.8Very low110 Ų110144.1 Ų144.177%0.76979%0.787SS**  trans-100.5102.3165.8-71.20000108.6K44S42-K44 PolarHBondContact O-N 2.58Å
43E36Very low38.9Very low174 Ų174145.4 Ų145.481%0.81379%0.789SS**  trans-71.3112169.7-60.3164.9-155.800107.7V41V41-E43 HydrophobicContact CG1-CG 4Å
44K39.7Very low38.3Very low192 Ų192144.1 Ų144.184%0.83579%0.786SS**  trans-143.2104.3169-156.773.1-176.6170.80110.2S42 F46S42-K44 PolarHBondContact O-N 2.58Å; K44-F46 PolarHBondContact O-N 3.44Å
45E36.9Very low37.6Very low169 Ų169145.3 Ų145.379%0.7978%0.783SS**  trans-56.1127.2173-57.4139.3125.700109.3
46F26.7Very low36.6Very low202 Ų202142.9 Ų142.989%0.88678%0.779SS**  trans-98106.1163.5-167.7-99.3000107.2K44K44-F46 PolarHBondContact O-N 3.44Å
47N32.1Very low35.9Very low133 Ų133141.6 Ų141.671%0.71177%0.774SS**  trans-68.1137.8175.1-89.8-103.2000109.5
48L36.4Very low35.5Very low155 Ų155140.1 Ų140.181%0.81278%0.776SS**  trans-80.9123.4163.2-178.875.6000107.3
49D33.3Very low34.9Very low145 Ų145141.6 Ų141.678%0.77578%0.78SS**  trans-171.5125.6140.6-117.136.3000112.7
50D32.9Very low34.3Very low129 Ų129144.1 Ų144.169%0.6979%0.787SS**  trans46.2108131.3-132.4-119.4000121.8
51N30.9Very low34.1Very low140 Ų140144.4 Ų144.475%0.74979%0.789SS**  165.9136.8113.5-95.3-87.4000115.1
52I35.7Very low34.7Very low158 Ų158144 Ų14481%0.8179%0.788SS**  trans-148.9141.1167.8-80.7178.3000103.1
53P45.3Very low34.3Very low108 Ų108148.5 Ų148.570%0.70180%0.797SS**  cis-142.7-157.237.729.4-2.6000115.8
54E35.3Very low34.1Very low186 Ų186147.5 Ų147.587%0.86980%0.798SS**  trans86.7143163.9-51-166.1147.500115.6
55D31.7Very low33.7Very low148 Ų148143.6 Ų143.679%0.79179%0.794SS**  cis176.2135.2-17.9173.7-115.7000103.2
56D33.8Very low33.5Very low147 Ų147138.8 Ų138.879%0.78679%0.79SS**  trans-177155144.9-164.5-156.3000111.2
57S34.1Very low34.3Very low107 Ų107139.2 Ų139.275%0.74879%0.791SS**  trans-87.6156.4-174.4-64.20000114.2
58G29.7Very low34.5Very low80 Ų80137 Ų13783%0.82579%0.786SS**  trans-172.183.2173.900000115.5
59V30.2Very low34.8Very low134 Ų134133.8 Ų133.881%0.81279%0.791SS**  trans-88.1124.5170.5168.20000110.7
60L31.1Very low35.5Very low171 Ų171135.1 Ų135.190%0.89579%0.789SS**  trans-148.2144.7151.3-78.8-174.9000111.1
61T31.7Very low36.4Very low124 Ų124139 Ų13976%0.76180%0.8SS**  trans-117.4-168.1177.254.90000109.5
62P47.7Very low37.2Very low111 Ų111141 Ų14172%0.72181%0.81SS**  -128.4151.5-86.638.4-22.4000114.1
63E29.2Very low37.7Very low206 Ų206135.8 Ų135.896%0.96380%0.795SS**  trans-151164.1165.823-158.1101.800116.7
64D31.6Very low38.3Very low153 Ų153139.1 Ų139.182%0.81880%0.798SS**  trans-78150.5-153.4178-110.6000116.4
65S32.2Very low39.3Very low110 Ų110139.1 Ų139.177%0.76980%0.795SS**  176.7138.9128.444.20000115.6
66G31.3Very low39.8Very low67 Ų67142.7 Ų142.769%0.69180%0.798SS**  91.887.3126.100000120S68G66-S68 PolarHBondContact O-N 2.94Å
67K43.6Very low41Very low212 Ų212144.5 Ų144.592%0.92279%0.794SS**  trans-16.2123.4153.2-67.8166.2175.9167.20116.5
68S36.1Very low42Very low87 Ų87143 Ų14361%0.60879%0.788SS**  trans-156.390.5153.4-141.80000114.7G66 K70G66-S68 PolarHBondContact O-N 2.94Å; S68-K70 PolarHBondContact O-N 3.36Å; S68-K70 WeakPolarHBondContact OG-CE 3.38Å
69G44.4Very low43.2Very low87 Ų87144.4 Ų144.490%0.89778%0.78SS**  trans-72.1123170.400000111.6
70K46.3Very low44.3Very low172 Ų172144.3 Ų144.375%0.74877%0.774SS**  trans-130.8118.8-178.5-65.3-178.1-172.81720112S68 L72S68-K70 PolarHBondContact O-N 3.36Å; S68-K70 WeakPolarHBondContact OG-CE 3.38Å; K70-L72 PolarHBondContact O-N 3.13Å
71K52.7Low45.4Very low210 Ų210140.4 Ų140.491%0.91376%0.761SS**  trans-61.2121.1-179.5-66.2168.4175.5172.10111.6G73K71-G73 PolarHBondContact O-N 3.17Å
72L47.2Very low46.5Very low183 Ų183145.5 Ų145.596%0.95877%0.766SS**  trans-72.488.3171.1-97.8160.3000111.2K70K70-L72 PolarHBondContact O-N 3.13Å
73G46.4Very low46.8Very low48 Ų48146.1 Ų146.150%0.49577%0.768SS.*  trans-87.3128.8-17500000115.4K71 K75K71-G73 PolarHBondContact O-N 3.17Å; G73-K75 VanDerWaalsContact C-N 3.33Å; G73-K75 PolarHBondContact O-N 3.15Å
74K57.5Low47.8Very low178 Ų178143.9 Ų143.977%0.77476%0.76SS**SBendtrans65.4-1.4135.9-56.6176.5-178.3178.10120.1
75K57.8Low49.1Very low186 Ų186143.9 Ų143.981%0.80976%0.76SS**THydrogen-bonded Turntrans-84.6-8.6-171.4-150.1160.9-178.8178.40116.9G73 R77G73-K75 VanDerWaalsContact C-N 3.33Å; G73-K75 PolarHBondContact O-N 3.15Å; K75-R77 PolarHBondContact O-N 2.84Å
76W41.8Very low50.4Low224 Ų224150.2 Ų150.285%0.84877%0.766SS**THydrogen-bonded Turntrans-75.9-16.1-176.8-7182000115.6A78W76-A78 VanDerWaalsContact C-N 3.33Å; W76-A78 PolarHBondContact O-N 3.39Å
77R58.1Low51.6Low185 Ų185156.5 Ų156.570%0.69878%0.775SS**Hα-helixtrans-72.6-18.2-176.4-69.7-162.5-64.8-100.15.2115.2K75 S81K75-R77 PolarHBondContact O-N 2.84Å; R77-S81 PolarHBondContact O-OG 3.41Å
78A55.9Low52.1Low76 Ų76156.1 Ų156.163%0.62878%0.779SS**Hα-helixtrans-83.7-19.3-176.300000114.2W76W76-A78 VanDerWaalsContact C-N 3.33Å; W76-A78 PolarHBondContact O-N 3.39Å
79V55Low52.9Low108 Ų108155.6 Ų155.666%0.65579%0.787SS**Hα-helixtrans-80.1-36.9-177.6-177.10000111.3S81 R82V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.08Å; V79-R82 PolarHBondContact O-N 3.24Å
80I52.8Low53.4Low133 Ų133161.2 Ų161.268%0.68279%0.787SS**Hα-helixtrans-69.3-28.9-177.3-58.2174.4000111.9R82I80-R82 PolarHBondContact O-N 3.26Å
81S53.5Low53.5Low89 Ų89162.2 Ų162.262%0.62280%0.796SS**THydrogen-bonded Turntrans-77.9-13.1-177.6-510000114.9R77 V79R77-S81 PolarHBondContact O-OG 3.41Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.08Å
82R54.7Low53.3Low231 Ų231161 Ų16187%0.87280%0.796SS**THydrogen-bonded Turntrans-79.6-18.5-168.7-171.6172.4170.1-161.2-4.3114.4V79 I80V79-R82 PolarHBondContact O-N 3.24Å; I80-R82 PolarHBondContact O-N 3.26Å
83T55.8Low53.3Low123 Ų123159.4 Ų159.476%0.75579%0.794SS**SBendtrans-110.5-10-169.252.30000115.3
84M49.6Very low53.2Low160 Ų160167.2 Ų167.279%0.78881%0.814SS**SBendtrans-92.2-5.6-166.6-147.2174.179.500116.2
85N58Low52.5Low153 Ų153163 Ų16382%0.81881%0.812SS**SBendtrans-109.242.2-172-76.2-5.1000114.8
86R59.9Low51.4Low242 Ų242162.7 Ų162.791%0.91382%0.818SS**SBendtrans-136.639.4177.8-163.7166.3155157.8-8.3114.8
87K57.5Low51.2Low200 Ų200157.9 Ų157.987%0.8782%0.819SS**SBendtrans-153.148.3170.2-153.6-178.1174.7179.20116.5
88M54.1Low50.3Low203 Ų203158.3 Ų158.3100%183%0.829SS**SBendtrans-168.381.6159.6-105.9139.5168.600110.5
89G52.9Low49.3Very low76 Ų76163.9 Ų163.978%0.78484%0.842SS**  trans-161.535.2-172.300000115.3
90K54.1Low48.3Very low205 Ų205167.7 Ų167.789%0.89186%0.855SS**SBendtrans-145.544.2179.2-72.3-164.6173.5-172.20113.8
91M49.3Very low47.2Very low193 Ų193164.9 Ų164.995%0.95186%0.858SS**SBendtrans-145.439.9172.6-65.9-169-176.500113.6
92M47.1Very low46.1Very low186 Ų186168 Ų16892%0.91687%0.868SS**SBendtrans-15853.2170.7-156.9178.7179.300114.8
93V47.8Very low45.1Very low148 Ų148162.5 Ų162.590%0.89786%0.861SS**  trans-146.268162.7-167.50000110.1
94K44.6Very low45Very low212 Ų212161.9 Ų161.992%0.92286%0.859SS**SBendtrans-157.352165.5-162.5170.6162.660.10111.9
95A41.8Very low44.3Very low89 Ų89162 Ų16274%0.73686%0.857SS**SBendtrans-150.3141.616200000106.4
96L35.9Very low43.1Very low180 Ų180162.8 Ų162.894%0.94286%0.856SS**SBendtrans72.770.8-173.5-46.1-179.2000115.7
97S36.5Very low41.7Very low123 Ų123154.2 Ų154.286%0.8684%0.843SS**  trans-163.769.5143.9-170.20000109.8
98E38.6Very low40.4Very low194 Ų194150.9 Ų150.991%0.90785%0.845SS**  trans-107.9165.1154.6-82.2176.284.400107.9
99E36.3Very low39.2Very low194 Ų194145.4 Ų145.491%0.90783%0.832SS**  trans86124-178.3-156.7-179.6108.800117.3
100M33Very low38.2Very low188 Ų188147.2 Ų147.293%0.92683%0.833SS**  trans93.7110.4164.6-15564.8-173.600119
101G30.6Very low38Very low73 Ų73143.3 Ų143.375%0.75383%0.828SS**  trans155.8105.6167.200000113.3
102D29.9Very low37Very low154 Ų154140 Ų14082%0.82482%0.819SS**  trans-80.9169-177.8-152.2-77.4000113.5
103T34.4Very low36.4Very low117 Ų117136.1 Ų136.172%0.71881%0.811SS**  trans-77.3-175.7178.959.30000112.9
104P53.2Low36.5Very low110 Ų110134.6 Ų134.671%0.71480%0.803SS**  cis-136.1-167-2.532.8-8.5000115.7
105E35.6Very low35.8Very low162 Ų162131 Ų13176%0.75780%0.795SS**  trans107127.1149.4-71-72.277.900123.7
106E32.3Very low35.2Very low169 Ų169133 Ų13379%0.7980%0.802SS**  trans69.2110.2146.4-74.2-82.172.900123.8
107G29.4Very low35.4Very low63 Ų63129.6 Ų129.665%0.64979%0.793SS**  119.1101.4114.400000121.5
108S30.4Very low35.1Very low129 Ų129132 Ų13290%0.90280%0.795SS**  trans65.7144.1138.7-152.30000120.4
109A29.3Very low34.6Very low89 Ų89126.1 Ų126.174%0.73679%0.786SS**  cis-164.8161-18.500000110.2
110S31.6Very low34.5Very low113 Ų113122.8 Ų122.879%0.7978%0.784SS**  trans-82.1167.4166.5-39.80000111
111P50.4Low35.3Very low123 Ų123119.8 Ų119.880%0.79978%0.779SS**  -134.8-164.454.825.41.5000112.3
112T28.6Very low35.1Very low124 Ų124119.7 Ų119.776%0.76178%0.777SS**  cis-155.6158.623.6113.50000111.7
113S34.8Very low36.1Very low105 Ų105117.9 Ų117.973%0.73477%0.774SS**  trans-106.8165.1159.554.70000110.8
114P50Low36Very low115 Ų115119.4 Ų119.475%0.74777%0.773SS**  -136.1142.197.637.1-24.6000111.9
115D29.2Very low35.3Very low138 Ų138121 Ų12174%0.73877%0.769SS**  57.8116.870.7-165.332.4000116.4
116C28.8Very low35.2Very low131 Ų131121.8 Ų121.889%0.88578%0.775SS**  trans-175.6135.2134.8-95.70000110.7
117S40.7Very low35.1Very low107 Ų107118 Ų11875%0.74877%0.772SS**  trans-129.1142.3-178.5176.10000110.9
118L30.1Very low35.2Very low175 Ų175123.2 Ų123.292%0.91678%0.784SS**  trans-178.9142.1156.7-124.769.8000107.9
119G28.9Very low35Very low69 Ų69121 Ų12171%0.71177%0.774SS**  cis122.8102.7-1.500000112.8
120S34Very low34.8Very low124 Ų124125.6 Ų125.687%0.86778%0.778SS**  trans168.9146.7136.6-157.30000112.8
121P48.5Very low34.6Very low126 Ų126125 Ų12582%0.81877%0.772SS**  trans-111.3176.8-177.941.2-33.4000115.7
122G27.6Very low33.5Very low70 Ų70127 Ų12772%0.72277%0.771SS**  trans-149.4163.4172.500000112.5
123P50Low33.5Very low116 Ų116130.5 Ų130.575%0.75378%0.779SS**  trans-123.3-167.2-132.640.6-28.6000117.3
124E32.3Very low33.4Very low149 Ų149133.8 Ų133.870%0.69678%0.783SS**  trans66.9141.2159.265.8170139.700119
125K39.5Very low32.4Very low143 Ų143137 Ų13762%0.62279%0.788SS**  cis-174.3156.71235.4-176.7168.8-680110.4
126M33.5Very low32.5Very low180 Ų180140.7 Ų140.789%0.88779%0.791SS**  trans55.5155.1160.981.6-172.2-175.600117.6
127A28.9Very low32.6Very low89 Ų89143.4 Ų143.474%0.73679%0.791SS**  cis-166170.3-1.800000107.3
128L31.2Very low32.1Very low172 Ų172142 Ų14290%0.90179%0.794SS**  cis-143.1-101.33.9-135.4169.5000114.7
129A28Very low32.5Very low83 Ų83139.6 Ų139.669%0.68679%0.788SS**  trans-154154.7-164.700000116.1
130F23.9Very low32.7Very low185 Ų185141 Ų14181%0.81179%0.793SS**  trans64.2109.3138.6-155.4-88.9000121.7
131C28.2Very low32.7Very low100 Ų100143.9 Ų143.968%0.67680%0.797SS**  -175.1166.4103.6-150.10000112
132E27.2Very low32.2Very low166 Ų166143.1 Ų143.178%0.77680%0.795SS**  trans-65.7153.3179.9-60.1148.810500113.9
133Q28.8Very low32.9Very low197 Ų197151.4 Ų151.492%0.92181%0.805SS**  -169.9142.6111.1-165.5155.3-4500111.8
134E31.5Very low32.8Very low175 Ų175154.8 Ų154.882%0.81881%0.81SS**  trans-84.1142.7-178.3-173.2-179.2121.300112.2
135E30.1Very low33.3Very low183 Ų183153.9 Ų153.986%0.85582%0.815SS**  trans176.1160.3132.9-98.3-128.184.700113.5
136R31.7Very low33.3Very low215 Ų215151.9 Ų151.981%0.81182%0.819SS**  trans78.290.5162-165.5-175.8-174.1157.33.9118.8
137E29.5Very low33.8Very low188 Ų188150.2 Ų150.288%0.87982%0.819SS**  trans-149.5100.5130.8-64.5-55.2170.600108.8
138G30.7Very low34.1Very low78 Ų78149.5 Ų149.580%0.80482%0.821SS**  trans-98.3129-173.600000114
139P38.1Very low34.7Very low123 Ų123146.2 Ų146.280%0.79981%0.813SS**  trans-100.8151.2-17736.6-33.9000115.7
140A32.9Very low35.4Very low98 Ų98149.6 Ų149.681%0.8181%0.814SS**  trans48.1110.314900000120.4
141L34.6Very low36.5Very low185 Ų185148.5 Ų148.597%0.96982%0.816SS**  trans-77.8132.2167.6-76.4166.2000112.9
142S37.2Very low36.9Very low110 Ų110150 Ų15077%0.76983%0.826SS**  trans-71.1148.3-180-65.50000114.8
143R43.5Very low37.5Very low244 Ų244147.7 Ų147.792%0.92183%0.828SS**  trans-86.7114.7162.9-72.7168.9138.1-110.50.5110.4
144Q47.6Very low38.8Very low187 Ų187144.6 Ų144.687%0.87483%0.825SS**  trans-141.1160.5159.4-72.3-164.2-99.300112.3
145T42.2Very low39Very low131 Ų131139.7 Ų139.780%0.80482%0.821SS**  trans-108.1-159.2-162.850.50000112.7
146S40.5Very low40.2Very low100 Ų100137.6 Ų137.670%0.69982%0.824SS**  trans74115.1174.525.30000115.7
147T42.8Very low40.5Very low145 Ų145131 Ų13189%0.8982%0.822SS**  72.5117.862.663.80000114.9
148G36Very low41.2Very low75 Ų75128.6 Ų128.677%0.77383%0.826SS**  trans149.483.4164.100000117.2
149S43.9Very low41.5Very low103 Ų103128 Ų12872%0.7282%0.82SS**  39.4134.7119-90.30000124.4
150E42.7Very low41.5Very low153 Ų153127 Ų12772%0.71582%0.816SS**  trans76.1126.2153.1-39-37.8103.400123.5
151L46.1Very low41.7Very low162 Ų162130.6 Ų130.685%0.84881%0.814SS**  trans69.6101.7142.9-62.5165.5000122.5
152C37Very low42.3Very low132 Ų132129.5 Ų129.589%0.89281%0.806SS**  -167133.8112.3-99.20000114.1
153S40.3Very low42.5Very low117 Ų117131.1 Ų131.182%0.81880%0.801SS**  trans-120.7162.1155-74.60000106.1
154P55.3Low42.5Very low132 Ų132126.4 Ų126.486%0.85779%0.79SS**  cis-140.8176.226.741.3-22.6000116.4
155G37.3Very low42.2Very low72 Ų72122.7 Ų122.774%0.74278%0.78SS**  trans165.1108.9165.800000113.6
156P55.1Low42.6Very low139 Ų139121.1 Ų121.190%0.90377%0.772SS**  trans-88.5133.3-179.333.8-31.7000111.8
157G36.8Very low43.3Very low76 Ų76119.2 Ų119.278%0.78476%0.762SS**  trans-163.788.5177.700000111.3G159G157-G159 PolarHBondContact O-N 2.76Å
158S45.2Very low43.9Very low138 Ų138118.2 Ų118.297%0.96576%0.758SS**  trans-63.9130171.6-173.10000109.7
159G36Very low45.5Very low65 Ų65121.4 Ų121.467%0.6775%0.753SS**  trans168.261-172.400000110.9G157 F161G157-G159 PolarHBondContact O-N 2.76Å; G159-F161 PolarHBondContact O-N 2.9Å
160S39.5Very low46.9Very low103 Ų103120 Ų12072%0.7273%0.733SS**  trans-62.689.6165.353.20000108.5M162S160-M162 PolarHBondContact O-N 2.89Å
161F37.3Very low48.5Very low173 Ų173119.4 Ų119.476%0.75974%0.74SS**  trans-67.178.1157.9-172-100.2000106.5G159 E163G159-F161 PolarHBondContact O-N 2.9Å; F161-E163 HydrophobicContact CD1-CB 4.14Å; F161-E163 HydrophobicContact CE1-CB 3.87Å; F161-E163 HydrophobicContact CE1-CG 4.11Å; F161-E163 PolarHBondContact O-N 2.87Å
162M45.2Very low50Low163 Ų163112.8 Ų112.880%0.80371%0.711SS**  trans-58.595.6153.857.5-152.8175.500105.1S160 E164S160-M162 PolarHBondContact O-N 2.89Å; M162-E164 VanDerWaalsContact C-N 3.32Å; M162-E164 PolarHBondContact O-N 3.27Å
163E42.4Very low52.3Low143 Ų143110.6 Ų110.667%0.66869%0.694SS**  trans-53102.9168.2-174.3166.9107.600106.1F161 T165F161-E163 HydrophobicContact CD1-CB 4.14Å; F161-E163 HydrophobicContact CE1-CB 3.87Å; F161-E163 HydrophobicContact CE1-CG 4.11Å; F161-E163 PolarHBondContact O-N 2.87Å; E163-T165 PolarHBondContact O-N 3.16Å
164E43.4Very low54.6Low146 Ų146107.7 Ų107.768%0.68267%0.667SS**  trans-6688.9168.8-172.1-165.5131.100104.9M162 P166M162-E164 VanDerWaalsContact C-N 3.32Å; M162-E164 PolarHBondContact O-N 3.27Å; E164-P166 VanDerWaalsContact O-CD 3.31Å; E164-P166 WeakPolarHBondContact O-CD 3.46Å
165T40.8Very low56.2Low108 Ų108104 Ų10466%0.66364%0.644SS**  trans-48.3114.5166.8-46.50000105.1E163 A167E163-T165 PolarHBondContact O-N 3.16Å; T165-A167 PolarHBondContact O-N 3.19Å
166P51.2Low58.8Low98 Ų98100.9 Ų100.964%0.63661%0.612SS**  trans-59.1110.4-173.221.1-31.7000106.7E164E164-P166 VanDerWaalsContact O-CD 3.31Å; E164-P166 WeakPolarHBondContact O-CD 3.46Å
167A54.6Low60.7Low61 Ų6198.7 Ų98.750%0.50459%0.586SS.*  trans-52.1136.2-176.800000107.4T165 Q169T165-A167 PolarHBondContact O-N 3.19Å; A167-Q169 PolarHBondContact O-N 2.82Å
168P56.4Low63.4Low124 Ų12495 Ų9581%0.80555%0.548SS*.  trans-53.9106.3-171.220.1-32.4000109Y170P168-Y170 PolarHBondContact O-N 3.25Å
169Q68.2Low65.9Low142 Ų14294.1 Ų94.166%0.66452%0.524SS*.  trans-58126.4-175.6-67.5-178.3-2.500106.6A167 T171A167-Q169 PolarHBondContact O-N 2.82Å; Q169-T171 VanDerWaalsContact C-N 3.31Å; Q169-T171 PolarHBondContact O-N 2.82Å; Q169-T171 PolarHBondContact O-OG1 3.43Å
170Y74.8Confident68.8Low73 Ų7391.1 Ų91.129%0.28649%0.492SS..  trans-69.491.5-173.2-178.9-94.2000109.8P168 G172 F174 I205 L221P168-Y170 PolarHBondContact O-N 3.25Å; Y170-G172 VanDerWaalsContact CE1-C 3.43Å; Y170-G172 PolarHBondContact O-N 2.89Å; Y170-F174 HydrophobicContact CD1-CD1 4.48Å; Y170-F174 AromaticContact CD1-CE1 3.77Å; Y170-F174 HydrophobicContact CD1-CE1 3.77Å; Y170-F174 AromaticContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CE1-CE1 4.27Å; Y170-F174 HydrophobicContact CE1-CZ 4.5Å; Y170-F174 VanDerWaalsContact O-CZ 3.27Å; Y170-F174 WeakPolarHBondContact O-CZ 3.39Å; Y170-I205 HydrophobicContact CD1-CD1 3.44Å; Y170-I205 VanDerWaalsContact CD1-CD1 3.44Å; Y170-I205 HydrophobicContact CD1-CG1 3.68Å; Y170-I205 HydrophobicContact CD1-CG2 4.43Å; Y170-I205 HydrophobicContact CD2-CD1 4.26Å; Y170-I205 HydrophobicContact CE1-CB 4.2Å; Y170-I205 HydrophobicContact CE1-CD1 3.78Å; Y170-I205 HydrophobicContact CE1-CG1 3.6Å; Y170-I205 HydrophobicContact CE1-CG2 3.64Å; Y170-I205 HydrophobicContact CE2-CG2 4.18Å; Y170-I205 HydrophobicContact CG-CD1 3.71Å; Y170-I205 HydrophobicContact CG-CG1 4.43Å; Y170-I205 VanDerWaalsContact CZ-CG2 3.48Å; Y170-I205 WeakPolarHBondContact OH-CG2 3.3Å; Y170-L221 HydrophobicContact CD2-CD1 3.91Å; Y170-L221 HydrophobicContact CG-CD1 4.09Å
171T75.5Confident71.5Confident141 Ų14189.2 Ų89.287%0.86547%0.472SS*.  trans-85.533.7172-39.50000110.8Q169Q169-T171 VanDerWaalsContact C-N 3.31Å; Q169-T171 PolarHBondContact O-N 2.82Å; Q169-T171 PolarHBondContact O-OG1 3.43Å
172G77.3Confident74.4Confident23 Ų2383.8 Ų83.824%0.23745%0.453CS..SBendtrans-91.2176.7174.100000112.1Y170 F174Y170-G172 VanDerWaalsContact CE1-C 3.43Å; Y170-G172 PolarHBondContact O-N 2.89Å; G172-F174 PolarHBondContact O-N 2.87Å
173P85.1Confident76.8Confident85 Ų8580.9 Ų80.955%0.55244%0.441SS*.  trans-68.9128.7178.729.1-34.3000111.1
174F89.2Confident79.3Confident56 Ų5676.7 Ų76.725%0.24642%0.42CS..  trans-89.1150.7167.9-59.8-80000110.4Y170 G172 Q203 I204 I205 L216Y170-F174 HydrophobicContact CD1-CD1 4.48Å; Y170-F174 AromaticContact CD1-CE1 3.77Å; Y170-F174 HydrophobicContact CD1-CE1 3.77Å; Y170-F174 AromaticContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CD1-CZ 3.82Å; Y170-F174 HydrophobicContact CE1-CE1 4.27Å; Y170-F174 HydrophobicContact CE1-CZ 4.5Å; Y170-F174 VanDerWaalsContact O-CZ 3.27Å; Y170-F174 WeakPolarHBondContact O-CZ 3.39Å; G172-F174 PolarHBondContact O-N 2.87Å; F174-Q203 HydrophobicContact CB-CG 3.93Å; F174-Q203 HydrophobicContact CD1-CB 3.7Å; F174-Q203 HydrophobicContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD2-CD 3.47Å; F174-Q203 HydrophobicContact CD2-CG 4.05Å; F174-Q203 HydrophobicContact CE1-CB 3.78Å; F174-Q203 HydrophobicContact CE1-CG 3.87Å; F174-Q203 HydrophobicContact CE2-CG 4.42Å; F174-Q203 HydrophobicContact CG-CB 4.3Å; F174-Q203 HydrophobicContact CG-CG 3.52Å; F174-Q203 HydrophobicContact CZ-CB 4.45Å; F174-Q203 HydrophobicContact CZ-CG 4.33Å; F174-I204 CarbonylContact C-O 3.54Å; F174-I204 WeakPolarHBondContact CA-O 3.46Å; F174-I204 WeakPolarHBondContact CB-O 3.43Å; F174-I205 HydrophobicContact CD1-CG1 3.76Å; F174-I205 HydrophobicContact CE1-CD1 4.26Å; F174-I205 HydrophobicContact CE1-CG1 3.72Å; F174-L216 HydrophobicContact CE1-CB 4Å; F174-L216 HydrophobicContact CE1-CD2 4.25Å; F174-L216 HydrophobicContact CZ-CD2 3.97Å
175C88.9Confident81.8Confident54 Ų5474.5 Ų74.537%0.36542%0.417SS..  trans-112.67.7-179.167.20000113.8I204 I205C175-I204 PolarHBondContact N-O 2.95Å; C175-I204 PolarHBondContact SG-O 3.29Å; C175-I205 VanDerWaalsContact SG-C 3.59Å; C175-I205 PolarHBondContact SG-O 2.83Å
176G91.6Very high84.2Confident7 Ų770.5 Ų70.57%0.07239%0.393CS..EExtended strand (participates in β ladder)trans160.1-176.7173.400000112.5I204 E234G176-I204 PolarHBondContact O-N 2.93Å; G176-E234 WeakPolarHBondContact CA-OE2 3.05Å
177R94.6Very high86.2Confident93 Ų9369 Ų6935%0.35139%0.385SS..EExtended strand (participates in β ladder)trans-120.2150.1163.4-64.5-178.7-61.8-170.51.6109.6V201 I202 Q203 L232R177-V201 HydrophobicContact CB-CG1 4.14Å; R177-I202 CarbonylContact C-O 3.47Å; R177-I202 WeakPolarHBondContact CA-O 3.24Å; R177-Q203 HydrophobicContact CG-CG 4.27Å; R177-L232 HydrophobicContact CB-CB 4.37Å; R177-L232 HydrophobicContact CB-CD1 4.46Å; R177-L232 PolarHBondContact O-N 2.92Å
178A95.2Very high87.9Confident0 Ų071.4 Ų71.40%040%0.395CS..EExtended strand (participates in β ladder)trans-133.3146.1169.900000110.7V201 I202 I204 V229 D230A178-V201 CarbonylContact O-C 3.53Å; A178-V201 WeakPolarHBondContact O-CA 3.34Å; A178-I202 PolarHBondContact N-O 3.11Å; A178-I202 PolarHBondContact O-N 3.41Å; A178-I204 HydrophobicContact CB-CD1 3.93Å; A178-I204 HydrophobicContact CB-CG1 4.16Å; A178-V229 HydrophobicContact CB-CB 3.82Å; A178-V229 HydrophobicContact CB-CG2 3.47Å; A178-V229 VanDerWaalsContact CB-CG2 3.47Å; A178-D230 CarbonylContact C-O 3.47Å; A178-D230 WeakPolarHBondContact CA-O 3.4Å; A178-D230 WeakPolarHBondContact CB-O 3.48Å
179R96.6Very high89.7Confident119 Ų11975.3 Ų75.345%0.44940%0.395SS..EExtended strand (participates in β ladder)trans-102.6127.9175-176171.359.1-153.6-4.1109.6H181 D200 V229 D230 L232R179-H181 PolarHBondContact O-N 2.75Å; R179-D200 CarbonylContact C-O 3.57Å; R179-D200 VanDerWaalsContact CA-O 3.32Å; R179-D200 WeakPolarHBondContact CA-O 3.32Å; R179-V229 CarbonylContact O-C 3.53Å; R179-V229 VanDerWaalsContact O-CA 3.28Å; R179-V229 WeakPolarHBondContact O-CA 3.25Å; R179-D230 PolarHBondContact N-O 3.32Å; R179-D230 PolarHBondContact O-N 2.95Å; R179-L232 HydrophobicContact CB-CD1 4.07Å; R179-L232 HydrophobicContact CB-CD2 3.99Å; R179-L232 HydrophobicContact CB-CG 4.02Å
180V97.3Very high90.7Very high2 Ų271.4 Ų71.41%0.01238%0.379CS..EExtended strand (participates in β ladder)trans-67.4127.4176.6179.30000109.9T182 L196 Q197 G199 D200 I202 V229V180-T182 WeakPolarHBondContact CG1-O 3.42Å; V180-L196 HydrophobicContact CG1-CB 3.77Å; V180-L196 HydrophobicContact CG1-CD1 4.5Å; V180-L196 HydrophobicContact CG2-CB 3.97Å; V180-L196 HydrophobicContact CG2-CD1 4.4Å; V180-L196 HydrophobicContact CG2-CD2 4.24Å; V180-L196 HydrophobicContact CG2-CG 4.45Å; V180-Q197 VanDerWaalsContact CB-O 3.27Å; V180-Q197 WeakPolarHBondContact CB-O 3.45Å; V180-Q197 WeakPolarHBondContact CG1-O 3.34Å; V180-G199 PolarHBondContact O-N 3.18Å; V180-D200 HydrophobicContact CB-CB 4.21Å; V180-D200 HydrophobicContact CG2-CB 3.81Å; V180-D200 PolarHBondContact N-O 3.29Å; V180-I202 HydrophobicContact CG2-CD1 3.92Å; V180-I202 HydrophobicContact CG2-CG1 3.99Å; V180-V229 HydrophobicContact CG2-CG1 4.01Å
181H96.7Very high91.4Very high63 Ų6375.7 Ų75.729%0.29240%0.401SS..  trans-105.8-19.4172.964.763.3000113.1R179 K198 I227 Y228 V229 D230R179-H181 PolarHBondContact O-N 2.75Å; H181-K198 WeakPolarHBondContact O-CD 3.31Å; H181-K198 WeakPolarHBondContact O-CG 3.38Å; H181-I227 PolarHBondContact CE1-O 3.17Å; H181-Y228 VanDerWaalsContact CE1-C 3.49Å; H181-Y228 PolarHBondContact N-O 2.78Å; H181-Y228 VanDerWaalsContact NE2-C 3.32Å; H181-V229 VanDerWaalsContact CD2-C 3.45Å; H181-V229 PolarHBondContact NE2-N 2.69Å; H181-D230 IonicContact CD2-OD1 3.93Å; H181-D230 IonicContact CD2-OD2 2.71Å
182T97.2Very high92.2Very high59 Ų5975 Ų7536%0.36239%0.393SS..SBendtrans-128.7128.4-179-62.80000110.9V180 Y228V180-T182 WeakPolarHBondContact CG1-O 3.42Å; T182-Y228 HydrophobicContact CG2-CD1 3.87Å; T182-Y228 HydrophobicContact CG2-CE1 4.35Å; T182-Y228 PolarHBondContact N-O 3.43Å
183D96.1Very high93Very high102 Ų10275.1 Ų75.155%0.54539%0.389SS..  trans-63.2138.1175.5-58.1-56.9000111.7L196 Q197 K198D183-L196 WeakPolarHBondContact CA-O 3.2Å; D183-Q197 VanDerWaalsContact OD1-CA 3.31Å; D183-Q197 WeakPolarHBondContact OD1-CA 3.32Å; D183-K198 PolarHBondContact OD1-N 3.2Å
184F95.2Very high93.4Very high54 Ų5471.4 Ų71.424%0.23737%0.365CS..BIsolated β-bridgetrans-141.6123.9174.1176.6-105.8000110.4P186 K195 L196 Y228F184-P186 HydrophobicContact CE1-CB 3.95Å; F184-P186 HydrophobicContact CZ-CB 4.33Å; F184-K195 CarbonylContact O-C 3.5Å; F184-K195 WeakPolarHBondContact O-CA 3.28Å; F184-L196 HydrophobicContact CB-CB 4.09Å; F184-L196 HydrophobicContact CB-CD1 4.08Å; F184-L196 HydrophobicContact CB-CG 4.08Å; F184-L196 HydrophobicContact CD1-CG 4.46Å; F184-L196 PolarHBondContact N-O 3.25Å; F184-L196 PolarHBondContact O-N 2.95Å; F184-Y228 HydrophobicContact CB-CD2 3.98Å; F184-Y228 HydrophobicContact CB-CE2 4.04Å; F184-Y228 HydrophobicContact CD1-CE2 4.47Å; F184-Y228 HydrophobicContact CD2-CD2 4.47Å; F184-Y228 AromaticContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CE2-CE2 4.28Å; F184-Y228 HydrophobicContact CG-CD2 4.16Å; F184-Y228 AromaticContact CG-CE2 3.8Å; F184-Y228 HydrophobicContact CG-CE2 3.8Å
185T94.5Very high93.7Very high100 Ų10074.2 Ų74.261%0.61338%0.377SS*.  trans-112.2117.1171.7-62.70000108.7
186P92.9Very high94.1Very high24 Ų2471.7 Ų71.716%0.15636%0.36CS..  trans-69168.917829.4-35.8000112F184 D190F184-P186 HydrophobicContact CE1-CB 3.95Å; F184-P186 HydrophobicContact CZ-CB 4.33Å; P186-D190 HydrophobicContact CB-CB 4.33Å
187S92.1Very high94.3Very high66 Ų6676.3 Ų76.346%0.46238%0.38SS..  trans-63.7145.5173-1760000110.5Y189 D190S187-Y189 PolarHBondContact O-N 3.14Å; S187-D190 PolarHBondContact O-N 2.63Å
188P91.5Very high94.4Very high113 Ų11379.1 Ų79.173%0.73439%0.394SS*.THydrogen-bonded Turntrans-57.7-15.7175.7-2735.9000115.6
189Y92.5Very high94.4Very high205 Ų20581.3 Ų81.380%0.80442%0.417SS*.THydrogen-bonded Turntrans-95.5-7.3176.3-55.3-77.3000113.7S187 H191S187-Y189 PolarHBondContact O-N 3.14Å; Y189-H191 PolarHBondContact O-N 3.09Å
190D90.6Very high94.3Very high60 Ų6077.2 Ų77.232%0.32140%0.404SS..  trans-100.580.6-177.5-177.86.9000109.2P186 S187 D192 S193P186-D190 HydrophobicContact CB-CB 4.33Å; S187-D190 PolarHBondContact O-N 2.63Å; D190-D192 PolarHBondContact O-N 2.77Å; D190-S193 VanDerWaalsContact CG-OG 3.24Å; D190-S193 PolarHBondContact OD1-N 3.14Å; D190-S193 PolarHBondContact OD1-OG 3.3Å; D190-S193 WeakPolarHBondContact OD2-CB 3.5Å; D190-S193 PolarHBondContact OD2-OG 2.67Å
191H88.9Confident94.3Very high163 Ų16380.6 Ų80.676%0.75543%0.425SS*.THydrogen-bonded Turntrans-73.4-16.3-179.7-59.2-70.2000113.2Y189Y189-H191 PolarHBondContact O-N 3.09Å
192D91.6Very high94.2Very high128 Ų12877.6 Ų77.668%0.68441%0.411SS*.THydrogen-bonded Turntrans-86.7-17.5-177.8-64.7-32.2000112.4D190 G222 S223D190-D192 PolarHBondContact O-N 2.77Å; D192-G222 CarbonylContact O-C 3.59Å; D192-G222 WeakPolarHBondContact O-CA 3.14Å; D192-S223 PolarHBondContact O-N 2.99Å
193S94.8Very high94.1Very high24 Ų2478.4 Ų78.417%0.16841%0.41CS..BIsolated β-bridgetrans-89.9139.4179.9-73.70000113.6D190 S223D190-S193 VanDerWaalsContact CG-OG 3.24Å; D190-S193 PolarHBondContact OD1-N 3.14Å; D190-S193 PolarHBondContact OD1-OG 3.3Å; D190-S193 WeakPolarHBondContact OD2-CB 3.5Å; D190-S193 PolarHBondContact OD2-OG 2.67Å; S193-S223 CarbonylContact C-O 3.56Å; S193-S223 WeakPolarHBondContact CA-O 3.36Å
194L94.4Very high94Very high7 Ų773.6 Ų73.64%0.03739%0.385CS..PPolyproline II helixtrans-74.3132.2172.8-62.3178.3000111.1L196 I202 L217 K220 S223 F224L194-L196 HydrophobicContact CB-CD2 3.66Å; L194-L196 PolarHBondContact O-N 3.26Å; L194-I202 HydrophobicContact CD1-CD1 4.42Å; L194-I202 HydrophobicContact CD1-CG2 3.95Å; L194-L217 HydrophobicContact CD1-CB 3.94Å; L194-L217 HydrophobicContact CD2-CB 4.3Å; L194-K220 HydrophobicContact CD2-CB 4.28Å; L194-K220 WeakPolarHBondContact CD2-O 3.48Å; L194-S223 PolarHBondContact N-O 3.21Å; L194-F224 HydrophobicContact CB-CB 4.5Å; L194-F224 HydrophobicContact CD1-CD1 3.88Å
195K95.1Very high93.9Very high116 Ų11672 Ų7250%0.50438%0.378SS..PPolyproline II helixtrans-74121.4160.5-176.1-176.5179.6-170.70108.4F184 L217F184-K195 CarbonylContact O-C 3.5Å; F184-K195 WeakPolarHBondContact O-CA 3.28Å; K195-L217 VanDerWaalsContact O-CD2 3.28Å; K195-L217 WeakPolarHBondContact O-CD2 3.4Å
196L95.9Very high93.9Very high1 Ų172.6 Ų72.61%0.00537%0.374CS..BIsolated β-bridgetrans-107.8135.3-177.8-47.9-175.7000110.3V180 D183 F184 L194 I202 L217 F224 Y228 V229V180-L196 HydrophobicContact CG1-CB 3.77Å; V180-L196 HydrophobicContact CG1-CD1 4.5Å; V180-L196 HydrophobicContact CG2-CB 3.97Å; V180-L196 HydrophobicContact CG2-CD1 4.4Å; V180-L196 HydrophobicContact CG2-CD2 4.24Å; V180-L196 HydrophobicContact CG2-CG 4.45Å; D183-L196 WeakPolarHBondContact CA-O 3.2Å; F184-L196 HydrophobicContact CB-CB 4.09Å; F184-L196 HydrophobicContact CB-CD1 4.08Å; F184-L196 HydrophobicContact CB-CG 4.08Å; F184-L196 HydrophobicContact CD1-CG 4.46Å; F184-L196 PolarHBondContact N-O 3.25Å; F184-L196 PolarHBondContact O-N 2.95Å; L194-L196 HydrophobicContact CB-CD2 3.66Å; L194-L196 PolarHBondContact O-N 3.26Å; L196-I202 HydrophobicContact CD2-CD1 3.55Å; L196-I202 HydrophobicContact CD2-CG1 4.45Å; L196-L217 HydrophobicContact CD2-CD2 3.96Å; L196-F224 HydrophobicContact CD1-CB 4.12Å; L196-F224 HydrophobicContact CD2-CB 4.14Å; L196-Y228 HydrophobicContact CD1-CD2 3.98Å; L196-Y228 HydrophobicContact CD1-CG 4.38Å; L196-V229 HydrophobicContact CD1-CG1 4.45Å
197Q96.3Very high93.9Very high103 Ų10377.4 Ų77.448%0.48139%0.393SS..  trans-119.5140.8167.5-49.8-162.3-107.900110.5V180 D183 G199 D200V180-Q197 VanDerWaalsContact CB-O 3.27Å; V180-Q197 WeakPolarHBondContact CB-O 3.45Å; V180-Q197 WeakPolarHBondContact CG1-O 3.34Å; D183-Q197 VanDerWaalsContact OD1-CA 3.31Å; D183-Q197 WeakPolarHBondContact OD1-CA 3.32Å; Q197-G199 PolarHBondContact O-N 3.3Å; Q197-D200 WeakPolarHBondContact CA-OD2 3.17Å; Q197-D200 WeakPolarHBondContact CB-OD2 3.27Å; Q197-D200 PolarHBondContact N-OD2 3.5Å; Q197-D200 WeakPolarHBondContact O-CB 3.46Å; Q197-D200 PolarHBondContact O-N 3.25Å
198K96.8Very high93.9Very high152 Ų15275.9 Ų75.966%0.66138%0.381SS*.THydrogen-bonded Turntrans-57.6120.9-179.5-179.3176.5-177.6177.40110.9H181 D183H181-K198 WeakPolarHBondContact O-CD 3.31Å; H181-K198 WeakPolarHBondContact O-CG 3.38Å; D183-K198 PolarHBondContact OD1-N 3.2Å
199G94.9Very high93.6Very high46 Ų4676.6 Ų76.647%0.47439%0.386SS..THydrogen-bonded Turntrans105.2-18.7-17400000114.3V180 Q197V180-G199 PolarHBondContact O-N 3.18Å; Q197-G199 PolarHBondContact O-N 3.3Å
200D95.9Very high93.3Very high34 Ų3472.2 Ų72.218%0.18238%0.38CS..  trans-58.2146175.1-75-16.9000111.4R179 V180 Q197 L217R179-D200 CarbonylContact C-O 3.57Å; R179-D200 VanDerWaalsContact CA-O 3.32Å; R179-D200 WeakPolarHBondContact CA-O 3.32Å; V180-D200 HydrophobicContact CB-CB 4.21Å; V180-D200 HydrophobicContact CG2-CB 3.81Å; V180-D200 PolarHBondContact N-O 3.29Å; Q197-D200 WeakPolarHBondContact CA-OD2 3.17Å; Q197-D200 WeakPolarHBondContact CB-OD2 3.27Å; Q197-D200 PolarHBondContact N-OD2 3.5Å; Q197-D200 WeakPolarHBondContact O-CB 3.46Å; Q197-D200 PolarHBondContact O-N 3.25Å; D200-L217 HydrophobicContact CB-CD1 3.83Å; D200-L217 HydrophobicContact CB-CD2 4.23Å
201V95.6Very high93.3Very high73 Ų7371.7 Ų71.744%0.44239%0.389SS..EExtended strand (participates in β ladder)trans-111.6114.4174.3-178.90000109.4R177 A178 L232R177-V201 HydrophobicContact CB-CG1 4.14Å; A178-V201 CarbonylContact O-C 3.53Å; A178-V201 WeakPolarHBondContact O-CA 3.34Å; V201-L232 HydrophobicContact CG1-CD1 4.24Å; V201-L232 HydrophobicContact CG2-CD1 4.42Å
202I95.4Very high93.6Very high0 Ų067 Ų670%037%0.372CS..EExtended strand (participates in β ladder)trans-91.7134.5175.9-45.1179.1000108.7R177 A178 V180 L194 L196 L216 L217 F224 V229R177-I202 CarbonylContact C-O 3.47Å; R177-I202 WeakPolarHBondContact CA-O 3.24Å; A178-I202 PolarHBondContact N-O 3.11Å; A178-I202 PolarHBondContact O-N 3.41Å; V180-I202 HydrophobicContact CG2-CD1 3.92Å; V180-I202 HydrophobicContact CG2-CG1 3.99Å; L194-I202 HydrophobicContact CD1-CD1 4.42Å; L194-I202 HydrophobicContact CD1-CG2 3.95Å; L196-I202 HydrophobicContact CD2-CD1 3.55Å; L196-I202 HydrophobicContact CD2-CG1 4.45Å; I202-L216 WeakPolarHBondContact CG2-O 3.37Å; I202-L217 HydrophobicContact CG1-CB 4.39Å; I202-L217 HydrophobicContact CG1-CD2 4.3Å; I202-L217 HydrophobicContact CG2-CB 4.41Å; I202-F224 HydrophobicContact CD1-CB 4.46Å; I202-F224 HydrophobicContact CD1-CD1 3.98Å; I202-F224 HydrophobicContact CD1-CD2 3.83Å; I202-F224 HydrophobicContact CD1-CE1 4.13Å; I202-F224 HydrophobicContact CD1-CE2 4Å; I202-F224 HydrophobicContact CD1-CG 3.82Å; I202-F224 HydrophobicContact CD1-CZ 4.12Å; I202-F224 HydrophobicContact CG2-CD1 4.23Å; I202-F224 HydrophobicContact CG2-CE1 3.78Å; I202-F224 HydrophobicContact CG2-CZ 4.22Å; I202-V229 HydrophobicContact CD1-CG1 3.9Å
203Q94.6Very high93.8Very high75 Ų7562.5 Ų62.535%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-88.3114.9168.3-143.9172.5-4.800109.1F174 R177 G215 L216F174-Q203 HydrophobicContact CB-CG 3.93Å; F174-Q203 HydrophobicContact CD1-CB 3.7Å; F174-Q203 HydrophobicContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD1-CG 3.44Å; F174-Q203 VanDerWaalsContact CD2-CD 3.47Å; F174-Q203 HydrophobicContact CD2-CG 4.05Å; F174-Q203 HydrophobicContact CE1-CB 3.78Å; F174-Q203 HydrophobicContact CE1-CG 3.87Å; F174-Q203 HydrophobicContact CE2-CG 4.42Å; F174-Q203 HydrophobicContact CG-CB 4.3Å; F174-Q203 HydrophobicContact CG-CG 3.52Å; F174-Q203 HydrophobicContact CZ-CB 4.45Å; F174-Q203 HydrophobicContact CZ-CG 4.33Å; R177-Q203 HydrophobicContact CG-CG 4.27Å; Q203-G215 CarbonylContact O-C 3.6Å; Q203-G215 WeakPolarHBondContact O-CA 3.46Å; Q203-L216 HydrophobicContact CB-CB 4.41Å; Q203-L216 PolarHBondContact N-O 3.13Å; Q203-L216 PolarHBondContact O-N 3.18Å
204I94.3Very high93.9Very high2 Ų264.1 Ų64.11%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-80.2126.9-170.7-42.6172.8000108.9F174 C175 G176 A178 K207 W213 F224F174-I204 CarbonylContact C-O 3.54Å; F174-I204 WeakPolarHBondContact CA-O 3.46Å; F174-I204 WeakPolarHBondContact CB-O 3.43Å; C175-I204 PolarHBondContact N-O 2.95Å; C175-I204 PolarHBondContact SG-O 3.29Å; G176-I204 PolarHBondContact O-N 2.93Å; A178-I204 HydrophobicContact CB-CD1 3.93Å; A178-I204 HydrophobicContact CB-CG1 4.16Å; I204-K207 HydrophobicContact CG2-CB 4.32Å; I204-W213 HydrophobicContact CD1-CE3 4.23Å; I204-W213 HydrophobicContact CD1-CZ3 4.06Å; I204-W213 HydrophobicContact CG2-CE3 4.3Å; I204-F224 HydrophobicContact CG2-CZ 4.47Å
205I94.3Very high93.9Very high20 Ų2063.8 Ų63.810%0.10335%0.35CS..EExtended strand (participates in β ladder)trans-95.6-49.7176.9-63.6169000109.5Y170 F174 C175 L214 L216 L221Y170-I205 HydrophobicContact CD1-CD1 3.44Å; Y170-I205 VanDerWaalsContact CD1-CD1 3.44Å; Y170-I205 HydrophobicContact CD1-CG1 3.68Å; Y170-I205 HydrophobicContact CD1-CG2 4.43Å; Y170-I205 HydrophobicContact CD2-CD1 4.26Å; Y170-I205 HydrophobicContact CE1-CB 4.2Å; Y170-I205 HydrophobicContact CE1-CD1 3.78Å; Y170-I205 HydrophobicContact CE1-CG1 3.6Å; Y170-I205 HydrophobicContact CE1-CG2 3.64Å; Y170-I205 HydrophobicContact CE2-CG2 4.18Å; Y170-I205 HydrophobicContact CG-CD1 3.71Å; Y170-I205 HydrophobicContact CG-CG1 4.43Å; Y170-I205 VanDerWaalsContact CZ-CG2 3.48Å; Y170-I205 WeakPolarHBondContact OH-CG2 3.3Å; F174-I205 HydrophobicContact CD1-CG1 3.76Å; F174-I205 HydrophobicContact CE1-CD1 4.26Å; F174-I205 HydrophobicContact CE1-CG1 3.72Å; C175-I205 VanDerWaalsContact SG-C 3.59Å; C175-I205 PolarHBondContact SG-O 2.83Å; I205-L214 HydrophobicContact CB-CB 4.48Å; I205-L214 HydrophobicContact CB-CD2 4.36Å; I205-L214 HydrophobicContact CB-CG 4.36Å; I205-L214 HydrophobicContact CG2-CD2 4.05Å; I205-L214 PolarHBondContact N-O 3.12Å; I205-L216 HydrophobicContact CD1-CB 4.39Å; I205-L221 HydrophobicContact CD1-CD1 4.14Å; I205-L221 HydrophobicContact CD1-CD2 3.64Å; I205-L221 HydrophobicContact CD1-CG 3.66Å
206E92.8Very high93.9Very high113 Ų11359.7 Ų59.753%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-133.2133.7179.4-155.5-172149.300111.1P208 W213 L214E206-P208 VanDerWaalsContact C-CD 3.41Å; E206-P208 HydrophobicContact CG-CG 4.38Å; E206-P208 WeakPolarHBondContact O-CD 3.41Å; E206-W213 WeakPolarHBondContact O-CA 3.43Å; E206-W213 WeakPolarHBondContact O-CB 3.03Å; E206-L214 HydrophobicContact CB-CB 3.93Å; E206-L214 PolarHBondContact N-O 3.14Å; E206-L214 VanDerWaalsContact N-O 3.09Å; E206-L214 PolarHBondContact O-N 3.48Å
207K92.9Very high93.8Very high125 Ų12560 Ų6054%0.54334%0.335SS..  trans-119.270.1178.559.6180-161.571.40113I204 W213I204-K207 HydrophobicContact CG2-CB 4.32Å; K207-W213 HydrophobicContact CB-CD2 4.15Å; K207-W213 HydrophobicContact CB-CG 4.47Å; K207-W213 HydrophobicContact CB-CZ2 4.34Å
208P91.9Very high93.5Very high34 Ų3461.4 Ų61.422%0.22135%0.346CS..  trans-50.5141.8168.5-27.836.4000111.4E206 V210 W213E206-P208 VanDerWaalsContact C-CD 3.41Å; E206-P208 HydrophobicContact CG-CG 4.38Å; E206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-V210 PolarHBondContact O-N 3.45Å; P208-V210 VanDerWaalsContact O-N 3.12Å; P208-W213 PolarHBondContact O-NE1 2.9Å
209P86.2Confident93.2Very high128 Ų12856.1 Ų56.183%0.83134%0.335SS*.SBendtrans-67.6-13.3-177.628.3-35.8000113.5
210V86.7Confident93Very high113 Ų11360.4 Ų60.469%0.68534%0.34SS*.SBendtrans-144.9152178.3-66.60000109.8P208P208-V210 PolarHBondContact O-N 3.45Å; P208-V210 VanDerWaalsContact O-N 3.12Å
211G91Very high92.9Very high48 Ų4862.5 Ų62.550%0.49535%0.351SS..SBendtrans94.5-134.7173.400000114.1F226G211-F226 WeakPolarHBondContact O-CD1 3.28Å
212T94.3Very high92.8Very high66 Ų6659.2 Ų59.241%0.40533%0.332SS..EExtended strand (participates in β ladder)trans-98.5148.7175.642.40000110.9F224 K225T212-F224 CarbonylContact C-O 3.51Å; T212-F224 VanDerWaalsContact CA-O 3.3Å; T212-F224 WeakPolarHBondContact CA-O 3.48Å; T212-F224 WeakPolarHBondContact CB-O 3.37Å; T212-K225 HydrophobicContact CG2-CG 3.79Å
213W96.3Very high92.9Very high33 Ų3360.6 Ų60.613%0.12534%0.341CS..EExtended strand (participates in β ladder)trans-100.4156.6170.1-700.2000109.5I204 E206 K207 P208 S223 F224 F226 V229 V231I204-W213 HydrophobicContact CD1-CE3 4.23Å; I204-W213 HydrophobicContact CD1-CZ3 4.06Å; I204-W213 HydrophobicContact CG2-CE3 4.3Å; E206-W213 WeakPolarHBondContact O-CA 3.43Å; E206-W213 WeakPolarHBondContact O-CB 3.03Å; K207-W213 HydrophobicContact CB-CD2 4.15Å; K207-W213 HydrophobicContact CB-CG 4.47Å; K207-W213 HydrophobicContact CB-CZ2 4.34Å; P208-W213 PolarHBondContact O-NE1 2.9Å; W213-S223 CarbonylContact O-C 3.36Å; W213-S223 VanDerWaalsContact O-CA 3.24Å; W213-S223 WeakPolarHBondContact O-CA 3.31Å; W213-F224 HydrophobicContact CB-CD1 4.38Å; W213-F224 HydrophobicContact CB-CD2 4.45Å; W213-F224 HydrophobicContact CB-CE1 3.82Å; W213-F224 HydrophobicContact CB-CE2 3.88Å; W213-F224 HydrophobicContact CB-CZ 3.56Å; W213-F224 HydrophobicContact CD2-CE2 4.43Å; W213-F224 HydrophobicContact CD2-CZ 4.46Å; W213-F224 AromaticContact CE3-CE2 3.8Å; W213-F224 HydrophobicContact CE3-CE2 3.8Å; W213-F224 AromaticContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CG-CZ 4.42Å; W213-F224 PolarHBondContact N-O 2.87Å; W213-F224 WeakPolarHBondContact O-CD1 3.44Å; W213-F224 PolarHBondContact O-N 3.22Å; W213-F226 HydrophobicContact CD2-CB 3.59Å; W213-F226 VanDerWaalsContact CE2-CB 3.44Å; W213-F226 HydrophobicContact CE3-CB 3.85Å; W213-F226 HydrophobicContact CG-CB 4.16Å; W213-F226 HydrophobicContact CH2-CB 3.85Å; W213-F226 HydrophobicContact CZ2-CB 3.61Å; W213-F226 HydrophobicContact CZ2-CG 4.17Å; W213-F226 HydrophobicContact CZ3-CB 3.96Å; W213-V229 HydrophobicContact CZ3-CG2 4.27Å; W213-V231 HydrophobicContact CH2-CG2 3.58Å; W213-V231 HydrophobicContact CZ3-CG2 3.67Å
214L95.7Very high92.9Very high58 Ų5857.1 Ų57.130%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-104.7135175.4-170.170.9000108.8I205 E206 L221I205-L214 HydrophobicContact CB-CB 4.48Å; I205-L214 HydrophobicContact CB-CD2 4.36Å; I205-L214 HydrophobicContact CB-CG 4.36Å; I205-L214 HydrophobicContact CG2-CD2 4.05Å; I205-L214 PolarHBondContact N-O 3.12Å; E206-L214 HydrophobicContact CB-CB 3.93Å; E206-L214 PolarHBondContact N-O 3.14Å; E206-L214 VanDerWaalsContact N-O 3.09Å; E206-L214 PolarHBondContact O-N 3.48Å; L214-L221 HydrophobicContact CD1-CD2 3.6Å; L214-L221 HydrophobicContact CD2-CD2 4.02Å; L214-L221 HydrophobicContact CG-CD2 3.68Å
215G95.2Very high92.9Very high0 Ų061.8 Ų61.80%035%0.346CS..EExtended strand (participates in β ladder)trans-156.1175.1179.200000114.3Q203 L221 G222Q203-G215 CarbonylContact O-C 3.6Å; Q203-G215 WeakPolarHBondContact O-CA 3.46Å; G215-L221 WeakPolarHBondContact O-CA 3.42Å; G215-G222 PolarHBondContact N-O 3.28Å; G215-G222 PolarHBondContact O-N 3.16Å
216L95.1Very high92.9Very high29 Ų2964.9 Ų64.915%0.15236%0.358CS..EExtended strand (participates in β ladder)trans-113.4124.1176.2-168.177.3000109F174 I202 Q203 I205 K220 L221F174-L216 HydrophobicContact CE1-CB 4Å; F174-L216 HydrophobicContact CE1-CD2 4.25Å; F174-L216 HydrophobicContact CZ-CD2 3.97Å; I202-L216 WeakPolarHBondContact CG2-O 3.37Å; Q203-L216 HydrophobicContact CB-CB 4.41Å; Q203-L216 PolarHBondContact N-O 3.13Å; Q203-L216 PolarHBondContact O-N 3.18Å; I205-L216 HydrophobicContact CD1-CB 4.39Å; L216-K220 WeakPolarHBondContact CA-O 3.39Å; L216-L221 HydrophobicContact CD1-CB 4.09Å; L216-L221 HydrophobicContact CD1-CG 4.39Å
217L94.3Very high93.1Very high8 Ų863.9 Ų63.94%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-136.1127.5174.4175.760.8000109.2L194 K195 L196 D200 I202 G219 K220L194-L217 HydrophobicContact CD1-CB 3.94Å; L194-L217 HydrophobicContact CD2-CB 4.3Å; K195-L217 VanDerWaalsContact O-CD2 3.28Å; K195-L217 WeakPolarHBondContact O-CD2 3.4Å; L196-L217 HydrophobicContact CD2-CD2 3.96Å; D200-L217 HydrophobicContact CB-CD1 3.83Å; D200-L217 HydrophobicContact CB-CD2 4.23Å; I202-L217 HydrophobicContact CG1-CB 4.39Å; I202-L217 HydrophobicContact CG1-CD2 4.3Å; I202-L217 HydrophobicContact CG2-CB 4.41Å; L217-G219 PolarHBondContact O-N 3.23Å; L217-K220 PolarHBondContact N-O 3.12Å; L217-K220 WeakPolarHBondContact O-CB 3.47Å; L217-K220 PolarHBondContact O-N 3.04Å
218N90.5Very high93.2Very high132 Ų13260.1 Ų60.171%0.70634%0.338SS*.THydrogen-bonded Turntrans51.539.4-179.9-59.5-32.1000113.3K220N218-K220 PolarHBondContact O-N 3.18Å
219G89.1Confident93.4Very high42 Ų4259 Ų5943%0.43333%0.331SS..THydrogen-bonded Turntrans76-7.7-176.600000115.3L217L217-G219 PolarHBondContact O-N 3.23Å
220K91.5Very high93.8Very high136 Ų13656.7 Ų56.759%0.59131%0.311SS*.EExtended strand (participates in β ladder)trans-91.8128.4178.4-60.1-169.2178.6-168.10110.2L194 L216 L217 N218L194-K220 HydrophobicContact CD2-CB 4.28Å; L194-K220 WeakPolarHBondContact CD2-O 3.48Å; L216-K220 WeakPolarHBondContact CA-O 3.39Å; L217-K220 PolarHBondContact N-O 3.12Å; L217-K220 WeakPolarHBondContact O-CB 3.47Å; L217-K220 PolarHBondContact O-N 3.04Å; N218-K220 PolarHBondContact O-N 3.18Å
221L93.8Very high94.1Very high78 Ų7855.5 Ų55.541%0.40830%0.304SS..EExtended strand (participates in β ladder)trans-92128.3175.7-151.6-177000107.6Y170 I205 L214 G215 L216Y170-L221 HydrophobicContact CD2-CD1 3.91Å; Y170-L221 HydrophobicContact CG-CD1 4.09Å; I205-L221 HydrophobicContact CD1-CD1 4.14Å; I205-L221 HydrophobicContact CD1-CD2 3.64Å; I205-L221 HydrophobicContact CD1-CG 3.66Å; L214-L221 HydrophobicContact CD1-CD2 3.6Å; L214-L221 HydrophobicContact CD2-CD2 4.02Å; L214-L221 HydrophobicContact CG-CD2 3.68Å; G215-L221 WeakPolarHBondContact O-CA 3.42Å; L216-L221 HydrophobicContact CD1-CB 4.09Å; L216-L221 HydrophobicContact CD1-CG 4.39Å
222G94.2Very high94.2Very high4 Ų455 Ų554%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-171.7172.5-179.300000114.2D192 G215D192-G222 CarbonylContact O-C 3.59Å; D192-G222 WeakPolarHBondContact O-CA 3.14Å; G215-G222 PolarHBondContact N-O 3.28Å; G215-G222 PolarHBondContact O-N 3.16Å
223S95.7Very high93.5Very high28 Ų2857.2 Ų57.220%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-85.8148.3178.491.30000111.8D192 S193 L194 W213D192-S223 PolarHBondContact O-N 2.99Å; S193-S223 CarbonylContact C-O 3.56Å; S193-S223 WeakPolarHBondContact CA-O 3.36Å; L194-S223 PolarHBondContact N-O 3.21Å; W213-S223 CarbonylContact O-C 3.36Å; W213-S223 VanDerWaalsContact O-CA 3.24Å; W213-S223 WeakPolarHBondContact O-CA 3.31Å
224F95.7Very high92.3Very high3 Ų360.5 Ų60.51%0.01332%0.322CS..EExtended strand (participates in β ladder)trans-147.9156.6173.966.1-84.1000109.7L194 L196 I202 I204 T212 W213 V229L194-F224 HydrophobicContact CB-CB 4.5Å; L194-F224 HydrophobicContact CD1-CD1 3.88Å; L196-F224 HydrophobicContact CD1-CB 4.12Å; L196-F224 HydrophobicContact CD2-CB 4.14Å; I202-F224 HydrophobicContact CD1-CB 4.46Å; I202-F224 HydrophobicContact CD1-CD1 3.98Å; I202-F224 HydrophobicContact CD1-CD2 3.83Å; I202-F224 HydrophobicContact CD1-CE1 4.13Å; I202-F224 HydrophobicContact CD1-CE2 4Å; I202-F224 HydrophobicContact CD1-CG 3.82Å; I202-F224 HydrophobicContact CD1-CZ 4.12Å; I202-F224 HydrophobicContact CG2-CD1 4.23Å; I202-F224 HydrophobicContact CG2-CE1 3.78Å; I202-F224 HydrophobicContact CG2-CZ 4.22Å; I204-F224 HydrophobicContact CG2-CZ 4.47Å; T212-F224 CarbonylContact C-O 3.51Å; T212-F224 VanDerWaalsContact CA-O 3.3Å; T212-F224 WeakPolarHBondContact CA-O 3.48Å; T212-F224 WeakPolarHBondContact CB-O 3.37Å; W213-F224 HydrophobicContact CB-CD1 4.38Å; W213-F224 HydrophobicContact CB-CD2 4.45Å; W213-F224 HydrophobicContact CB-CE1 3.82Å; W213-F224 HydrophobicContact CB-CE2 3.88Å; W213-F224 HydrophobicContact CB-CZ 3.56Å; W213-F224 HydrophobicContact CD2-CE2 4.43Å; W213-F224 HydrophobicContact CD2-CZ 4.46Å; W213-F224 AromaticContact CE3-CE2 3.8Å; W213-F224 HydrophobicContact CE3-CE2 3.8Å; W213-F224 AromaticContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CE3-CZ 3.85Å; W213-F224 HydrophobicContact CG-CZ 4.42Å; W213-F224 PolarHBondContact N-O 2.87Å; W213-F224 WeakPolarHBondContact O-CD1 3.44Å; W213-F224 PolarHBondContact O-N 3.22Å; F224-V229 HydrophobicContact CD2-CG1 3.94Å; F224-V229 HydrophobicContact CD2-CG2 4.35Å; F224-V229 HydrophobicContact CE2-CG1 3.98Å; F224-V229 HydrophobicContact CE2-CG2 3.7Å
225K95Very high90.5Very high100 Ų10064.9 Ų64.944%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-86.6131.6175.9-64.7173.6145.7169.80109.8T212 I227 Y228T212-K225 HydrophobicContact CG2-CG 3.79Å; K225-I227 HydrophobicContact CB-CD1 4.49Å; K225-I227 HydrophobicContact CB-CG1 3.86Å; K225-I227 HydrophobicContact CD-CD1 4.35Å; K225-I227 PolarHBondContact O-N 3.39Å; K225-I227 VanDerWaalsContact O-N 3.12Å; K225-Y228 HydrophobicContact CB-CD2 3.88Å; K225-Y228 HydrophobicContact CB-CE2 3.8Å; K225-Y228 HydrophobicContact CD-CE2 3.84Å; K225-Y228 HydrophobicContact CG-CE2 4.2Å; K225-Y228 PolarHBondContact O-N 3.41Å
226F94.3Very high88.3Confident85 Ų8569 Ų6937%0.37338%0.375SS..G310 helixtrans-60.2-24.7179.974-91.1000113.2G211 W213 Y228 V229G211-F226 WeakPolarHBondContact O-CD1 3.28Å; W213-F226 HydrophobicContact CD2-CB 3.59Å; W213-F226 VanDerWaalsContact CE2-CB 3.44Å; W213-F226 HydrophobicContact CE3-CB 3.85Å; W213-F226 HydrophobicContact CG-CB 4.16Å; W213-F226 HydrophobicContact CH2-CB 3.85Å; W213-F226 HydrophobicContact CZ2-CB 3.61Å; W213-F226 HydrophobicContact CZ2-CG 4.17Å; W213-F226 HydrophobicContact CZ3-CB 3.96Å; F226-Y228 PolarHBondContact O-N 2.87Å; F226-V229 PolarHBondContact O-N 3.01Å; F226-V229 VanDerWaalsContact O-N 3.16Å; F226-V229 VanDerWaalsContact O-O 3.14Å
227I95.5Very high86.3Confident92 Ų9273.9 Ų73.947%0.47241%0.406SS..G310 helixtrans-65.5-1.8177.269172.5000115.1H181 K225H181-I227 PolarHBondContact CE1-O 3.17Å; K225-I227 HydrophobicContact CB-CD1 4.49Å; K225-I227 HydrophobicContact CB-CG1 3.86Å; K225-I227 HydrophobicContact CD-CD1 4.35Å; K225-I227 PolarHBondContact O-N 3.39Å; K225-I227 VanDerWaalsContact O-N 3.12Å
228Y95.7Very high83.8Confident46 Ų4676.6 Ų76.618%0.1844%0.436CS..G310 helixtrans-109.2-0.9177.5-56-40.3000113H181 T182 F184 L196 K225 F226H181-Y228 VanDerWaalsContact CE1-C 3.49Å; H181-Y228 PolarHBondContact N-O 2.78Å; H181-Y228 VanDerWaalsContact NE2-C 3.32Å; T182-Y228 HydrophobicContact CG2-CD1 3.87Å; T182-Y228 HydrophobicContact CG2-CE1 4.35Å; T182-Y228 PolarHBondContact N-O 3.43Å; F184-Y228 HydrophobicContact CB-CD2 3.98Å; F184-Y228 HydrophobicContact CB-CE2 4.04Å; F184-Y228 HydrophobicContact CD1-CE2 4.47Å; F184-Y228 HydrophobicContact CD2-CD2 4.47Å; F184-Y228 AromaticContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CD2-CE2 3.68Å; F184-Y228 HydrophobicContact CE2-CE2 4.28Å; F184-Y228 HydrophobicContact CG-CD2 4.16Å; F184-Y228 AromaticContact CG-CE2 3.8Å; F184-Y228 HydrophobicContact CG-CE2 3.8Å; L196-Y228 HydrophobicContact CD1-CD2 3.98Å; L196-Y228 HydrophobicContact CD1-CG 4.38Å; K225-Y228 HydrophobicContact CB-CD2 3.88Å; K225-Y228 HydrophobicContact CB-CE2 3.8Å; K225-Y228 HydrophobicContact CD-CE2 3.84Å; K225-Y228 HydrophobicContact CG-CE2 4.2Å; K225-Y228 PolarHBondContact O-N 3.41Å; F226-Y228 PolarHBondContact O-N 2.87Å
229V95.5Very high81.6Confident10 Ų1076.2 Ų76.26%0.06144%0.441CS..EExtended strand (participates in β ladder)trans-136.7144.5-172.5-45.20000113A178 R179 V180 H181 L196 I202 W213 F224 F226A178-V229 HydrophobicContact CB-CB 3.82Å; A178-V229 HydrophobicContact CB-CG2 3.47Å; A178-V229 VanDerWaalsContact CB-CG2 3.47Å; R179-V229 CarbonylContact O-C 3.53Å; R179-V229 VanDerWaalsContact O-CA 3.28Å; R179-V229 WeakPolarHBondContact O-CA 3.25Å; V180-V229 HydrophobicContact CG2-CG1 4.01Å; H181-V229 VanDerWaalsContact CD2-C 3.45Å; H181-V229 PolarHBondContact NE2-N 2.69Å; L196-V229 HydrophobicContact CD1-CG1 4.45Å; I202-V229 HydrophobicContact CD1-CG1 3.9Å; W213-V229 HydrophobicContact CZ3-CG2 4.27Å; F224-V229 HydrophobicContact CD2-CG1 3.94Å; F224-V229 HydrophobicContact CD2-CG2 4.35Å; F224-V229 HydrophobicContact CE2-CG1 3.98Å; F224-V229 HydrophobicContact CE2-CG2 3.7Å; F226-V229 PolarHBondContact O-N 3.01Å; F226-V229 VanDerWaalsContact O-N 3.16Å; F226-V229 VanDerWaalsContact O-O 3.14Å
230D95.2Very high79.8Confident79 Ų7980.9 Ų80.942%0.42246%0.461SS..EExtended strand (participates in β ladder)trans-92.5127.6167.2-62.8-50.5000109.3A178 R179 H181 L232A178-D230 CarbonylContact C-O 3.47Å; A178-D230 WeakPolarHBondContact CA-O 3.4Å; A178-D230 WeakPolarHBondContact CB-O 3.48Å; R179-D230 PolarHBondContact N-O 3.32Å; R179-D230 PolarHBondContact O-N 2.95Å; H181-D230 IonicContact CD2-OD1 3.93Å; H181-D230 IonicContact CD2-OD2 2.71Å; D230-L232 PolarHBondContact O-N 2.96Å
231V93.9Very high77.9Confident89 Ų8984.2 Ų84.254%0.53947%0.47SS..EExtended strand (participates in β ladder)trans-66.5121.3172.3179.80000108.9W213W213-V231 HydrophobicContact CH2-CG2 3.58Å; W213-V231 HydrophobicContact CZ3-CG2 3.67Å
232L91.3Very high75.4Confident37 Ų3786.3 Ų86.319%0.19449%0.487CS..EExtended strand (participates in β ladder)trans-82.9139.9172.2-64179.5000109.1R177 R179 V201 D230 E234R177-L232 HydrophobicContact CB-CB 4.37Å; R177-L232 HydrophobicContact CB-CD1 4.46Å; R177-L232 PolarHBondContact O-N 2.92Å; R179-L232 HydrophobicContact CB-CD1 4.07Å; R179-L232 HydrophobicContact CB-CD2 3.99Å; R179-L232 HydrophobicContact CB-CG 4.02Å; V201-L232 HydrophobicContact CG1-CD1 4.24Å; V201-L232 HydrophobicContact CG2-CD1 4.42Å; D230-L232 PolarHBondContact O-N 2.96Å; L232-E234 PolarHBondContact O-N 2.83Å
233P80.2Confident73Confident112 Ų11291.1 Ų91.173%0.72752%0.521SS*.PPolyproline II helixtrans-59.7135.9168.925.9-32.8000109.9E235P233-E235 PolarHBondContact O-N 2.83Å
234E71.9Confident71Confident103 Ų10398.1 Ų98.148%0.48154%0.543SS..  trans-63.3115.6175.9-165.982.1158.500108.8G176 L232 A236G176-E234 WeakPolarHBondContact CA-OE2 3.05Å; L232-E234 PolarHBondContact O-N 2.83Å; E234-A236 PolarHBondContact O-N 2.82Å
235E57.4Low69Low149 Ų149108.5 Ų108.570%0.69658%0.582SS**  trans-83.1106.9174.6-144.6-81.311900105.6P233 V237P233-E235 PolarHBondContact O-N 2.83Å; E235-V237 PolarHBondContact O-N 3.5Å
236A48.6Very low67Low87 Ų87113.1 Ų113.172%0.71961%0.605SS**  trans-82.685-145.200000114E234E234-A236 PolarHBondContact O-N 2.82Å
237V53.5Low64.8Low132 Ų132114.5 Ų114.580%0.863%0.625SS**  trans-93.3105.5158-1720000107.7E235E235-V237 PolarHBondContact O-N 3.5Å
238G41.5Very low62.9Low65 Ų65118.4 Ų118.467%0.6764%0.639SS**  trans-65.1174.7-168.100000116
239P44.7Very low60.7Low124 Ų124118.4 Ų118.481%0.80565%0.652SS**  -137.2149.556.737.5-21.9000117.7R241P239-R241 PolarHBondContact O-N 3.12Å
240V50.4Low59Low140 Ų140127.7 Ų127.785%0.84869%0.692SS**  trans8.5103.7153.7-167.90000117.6
241R51Low57.4Low206 Ų206133.3 Ų133.378%0.77771%0.707SS**  trans-127.4140.2137.5-67.9-169.9-176.1-170.53.6108.8P239 S243P239-R241 PolarHBondContact O-N 3.12Å; R241-S243 PolarHBondContact O-N 2.93Å
242P41.4Very low56.3Low121 Ų121133.5 Ų133.579%0.78671%0.71SS**  trans-76.875-178.132.4-35.4000110.7R244P242-R244 PolarHBondContact O-N 3.47Å
243S44.6Very low55.7Low106 Ų106135.8 Ų135.874%0.74172%0.719SS**  trans-71.777.3164.4-174.10000108.7R241 R245R241-S243 PolarHBondContact O-N 2.93Å; S243-R245 PolarHBondContact O-N 3.34Å
244R53.8Low55.9Low175 Ų175131.2 Ų131.266%0.6669%0.689SS**  trans-70.365177.3-173.7-167.3178.3154.1-1.2110.8P242 E311P242-R244 PolarHBondContact O-N 3.47Å; R244-E311 IonicContact CZ-OE1 3.86Å; R244-E311 IonicContact CZ-OE2 3.25Å; R244-E311 IonicContact NH2-OE1 3.41Å; R244-E311 PolarHBondContact NH2-OE1 2.79Å; R244-E311 IonicContact NH2-OE2 3.38Å; R244-E311 PolarHBondContact NH2-OE2 2.81Å
245R52.6Low56.4Low221 Ų221134.9 Ų134.983%0.83470%0.703SS**SBendtrans-157.7133.4150.7-65.7-157.4-176-90.5-8.9108S243S243-R245 PolarHBondContact O-N 3.34Å
246Q54.5Low58Low197 Ų197131.1 Ų131.192%0.92169%0.691SS**  trans70.574.2170.6-53-171.1-5.300117.1
247S48.2Very low60.1Low114 Ų114127.2 Ų127.280%0.79766%0.658SS**  trans-132.383.6140.3-172.10000109.1G249S247-G249 PolarHBondContact O-N 3.32Å
248K54.8Low62Low174 Ų174125.7 Ų125.776%0.75764%0.642SS**  trans-74.355.5164-79.9-175.7170.1-174.90109.1K250K248-K250 PolarHBondContact O-N 3.09Å
249G50.6Low64.4Low45 Ų45125.2 Ų125.246%0.46462%0.622SS.*  trans-91.262.4-172.900000112.7S247 R251S247-G249 PolarHBondContact O-N 3.32Å; G249-R251 VanDerWaalsContact C-N 3.28Å; G249-R251 PolarHBondContact O-N 3.26Å
250K58.3Low66.8Low205 Ų205120 Ų12089%0.89159%0.587SS**  trans40.142.7157.3-54.4-174.7-179.6-174.50116.8K248K248-K250 PolarHBondContact O-N 3.09Å
251R63.1Low68.9Low197 Ų197113.3 Ų113.374%0.74355%0.547SS*.PPolyproline II helixtrans-75.6123.9161-69.2-74.1174.4140.1-3.7106G249 K253 Y316G249-R251 VanDerWaalsContact C-N 3.28Å; G249-R251 PolarHBondContact O-N 3.26Å; R251-K253 PolarHBondContact O-N 3.42Å; R251-Y316 PolarHBondContact O-OH 3.12Å; R251-Y316 VanDerWaalsContact O-OH 3.08Å
252P69.7Low70.9Confident93 Ų93108.4 Ų108.460%0.60453%0.533SS*.PPolyproline II helixtrans-60.7136.7176.425.4-32.9000109
253K79.7Confident73.3Confident86 Ų86108.1 Ų108.137%0.37452%0.516SS..PPolyproline II helixtrans-55.4130.8174.7-165.4176.4-170.7176.10108R251 L313 Y316 D317R251-K253 PolarHBondContact O-N 3.42Å; K253-L313 HydrophobicContact CG-CD2 4.45Å; K253-Y316 HydrophobicContact CD-CG 4.41Å; K253-Y316 HydrophobicContact CG-CD2 4.38Å; K253-Y316 HydrophobicContact CG-CG 4.35Å; K253-D317 IonicContact NZ-OD1 3.74Å; K253-D317 PolarHBondContact NZ-OD1 3.43Å
254P83.8Confident75.6Confident15 Ų15104.8 Ų104.810%0.09749%0.49CS..PPolyproline II helixtrans-53.6146.1172.9-20.328.8000110.3E259 L260 L281 L313P254-E259 VanDerWaalsContact CA-OE2 3.32Å; P254-E259 WeakPolarHBondContact CA-OE2 3.42Å; P254-L260 HydrophobicContact CB-CB 3.94Å; P254-L260 HydrophobicContact CG-CB 4.01Å; P254-L260 HydrophobicContact CG-CD1 3.86Å; P254-L260 HydrophobicContact CG-CG 4.39Å; P254-L281 HydrophobicContact CB-CD1 4.07Å; P254-L281 HydrophobicContact CB-CD2 4.39Å; P254-L281 WeakPolarHBondContact O-CD1 3.16Å; P254-L313 HydrophobicContact CG-CD2 4.35Å
255K82.1Confident77.4Confident180 Ų18098.7 Ų98.778%0.78348%0.481SS*.SBendtrans-97.3-24.4174.7-65.3-175.5179.5-176.60112.5E259K255-E259 PolarHBondContact N-OE2 3.03Å
256T91.9Very high79.3Confident71 Ų7188.2 Ų88.244%0.43644%0.441SS..SBendtrans-135.8157.4178.8710000111.1H258 E259 L260T256-H258 VanDerWaalsContact C-N 3.33Å; T256-E259 PolarHBondContact O-N 3.33Å; T256-E259 VanDerWaalsContact OG1-CB 3.24Å; T256-E259 WeakPolarHBondContact OG1-CB 3.41Å; T256-E259 PolarHBondContact OG1-N 2.97Å; T256-E259 VanDerWaalsContact OG1-N 3.17Å; T256-L260 PolarHBondContact O-N 3.27Å; T256-L260 VanDerWaalsContact O-N 3.15Å
257L92.6Very high81.1Confident5 Ų583.6 Ų83.63%0.02642%0.42CS..Hα-helixtrans-60.9-42.1174.7-177151.6000111.4E259 L260 L261 T270 L274 Y278 L281 F284L257-E259 PolarHBondContact O-N 3.39Å; L257-L260 WeakPolarHBondContact O-CB 3.09Å; L257-L260 PolarHBondContact O-N 3.03Å; L257-L260 VanDerWaalsContact O-N 3.14Å; L257-L261 HydrophobicContact CD2-CD1 3.86Å; L257-L261 HydrophobicContact CD2-CD2 3.92Å; L257-L261 HydrophobicContact CD2-CG 4.46Å; L257-L261 HydrophobicContact CG-CD1 4.12Å; L257-L261 WeakPolarHBondContact O-CD1 3.4Å; L257-L261 PolarHBondContact O-N 2.91Å; L257-T270 HydrophobicContact CD2-CG2 4.4Å; L257-L274 HydrophobicContact CD2-CD1 3.89Å; L257-Y278 WeakPolarHBondContact CD1-O 3.4Å; L257-L281 HydrophobicContact CB-CD2 4.48Å; L257-F284 HydrophobicContact CD1-CB 4.22Å; L257-F284 HydrophobicContact CD1-CD2 3.9Å; L257-F284 HydrophobicContact CD1-CG 4.45Å; L257-F284 HydrophobicContact CG-CD2 4.25Å
258H92.6Very high83.2Confident99 Ų9984 Ų8446%0.45841%0.409SS..Hα-helixtrans-56.7-49.2175.9-174.7-69000112.2T256 L260 L261 E262T256-H258 VanDerWaalsContact C-N 3.33Å; H258-L260 PolarHBondContact O-N 3.39Å; H258-L261 PolarHBondContact O-N 3.49Å; H258-L261 VanDerWaalsContact O-N 3.12Å; H258-E262 IonicContact ND1-OE2 3.46Å; H258-E262 WeakPolarHBondContact O-CB 3.42Å; H258-E262 PolarHBondContact O-N 3.22Å
259E93.3Very high85Confident56 Ų5677 Ų7726%0.26238%0.379SS..Hα-helixtrans-68.7-19-179.6-165-145.5-16300112.3P254 K255 T256 L257 R263P254-E259 VanDerWaalsContact CA-OE2 3.32Å; P254-E259 WeakPolarHBondContact CA-OE2 3.42Å; K255-E259 PolarHBondContact N-OE2 3.03Å; T256-E259 PolarHBondContact O-N 3.33Å; T256-E259 VanDerWaalsContact OG1-CB 3.24Å; T256-E259 WeakPolarHBondContact OG1-CB 3.41Å; T256-E259 PolarHBondContact OG1-N 2.97Å; T256-E259 VanDerWaalsContact OG1-N 3.17Å; L257-E259 PolarHBondContact O-N 3.39Å; E259-R263 VanDerWaalsContact CG-NH1 3.25Å; E259-R263 WeakPolarHBondContact O-CD 3.4Å; E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.25Å; E259-R263 PolarHBondContact O-NH1 3.39Å; E259-R263 IonicContact OE1-CZ 2.67Å; E259-R263 IonicContact OE1-NH1 2.68Å; E259-R263 IonicContact OE1-NH2 3.93Å; E259-R263 PolarHBondContact OE1-NH2 3.29Å; E259-R263 IonicContact OE2-CZ 2.65Å; E259-R263 IonicContact OE2-NH1 3.32Å; E259-R263 PolarHBondContact OE2-NH1 2.94Å; E259-R263 IonicContact OE2-NH2 2.96Å; E259-R263 PolarHBondContact OE2-NH2 2.97Å
260L93.5Very high87.1Confident13 Ų1375.6 Ų75.67%0.06836%0.362CS..Hα-helixtrans-77.2-47.6167.2173.359.3000111.3P254 T256 L257 H258 E262 R263 I264 L281 F284 A309 L313P254-L260 HydrophobicContact CB-CB 3.94Å; P254-L260 HydrophobicContact CG-CB 4.01Å; P254-L260 HydrophobicContact CG-CD1 3.86Å; P254-L260 HydrophobicContact CG-CG 4.39Å; T256-L260 PolarHBondContact O-N 3.27Å; T256-L260 VanDerWaalsContact O-N 3.15Å; L257-L260 WeakPolarHBondContact O-CB 3.09Å; L257-L260 PolarHBondContact O-N 3.03Å; L257-L260 VanDerWaalsContact O-N 3.14Å; H258-L260 PolarHBondContact O-N 3.39Å; L260-E262 PolarHBondContact O-N 3.43Å; L260-R263 PolarHBondContact O-N 3.44Å; L260-I264 HydrophobicContact CD1-CG2 4.34Å; L260-I264 WeakPolarHBondContact O-CG1 3.31Å; L260-I264 PolarHBondContact O-N 2.98Å; L260-L281 HydrophobicContact CB-CD2 4.27Å; L260-L281 HydrophobicContact CD2-CD2 3.94Å; L260-F284 HydrophobicContact CD2-CD1 3.74Å; L260-F284 HydrophobicContact CD2-CE1 3.53Å; L260-F284 HydrophobicContact CD2-CG 4.4Å; L260-F284 HydrophobicContact CD2-CZ 4.01Å; L260-A309 HydrophobicContact CD1-CB 4.12Å; L260-A309 HydrophobicContact CD2-CB 4.35Å; L260-L313 HydrophobicContact CD2-CD1 3.89Å
261L94Very high88.8Confident0 Ų070.2 Ų70.20%035%0.35CS..Hα-helixtrans-63.4-39-178.6-94.763.4000112.6L257 H258 I264 G265 L266 T270 L273 F284L257-L261 HydrophobicContact CD2-CD1 3.86Å; L257-L261 HydrophobicContact CD2-CD2 3.92Å; L257-L261 HydrophobicContact CD2-CG 4.46Å; L257-L261 HydrophobicContact CG-CD1 4.12Å; L257-L261 WeakPolarHBondContact O-CD1 3.4Å; L257-L261 PolarHBondContact O-N 2.91Å; H258-L261 PolarHBondContact O-N 3.49Å; H258-L261 VanDerWaalsContact O-N 3.12Å; L261-I264 WeakPolarHBondContact O-CG1 3.47Å; L261-I264 PolarHBondContact O-N 3.22Å; L261-G265 PolarHBondContact O-N 2.88Å; L261-L266 PolarHBondContact O-N 2.81Å; L261-T270 HydrophobicContact CD2-CG2 4.49Å; L261-T270 VanDerWaalsContact CD2-OG1 3.26Å; L261-T270 WeakPolarHBondContact CD2-OG1 3.26Å; L261-L273 HydrophobicContact CD1-CD1 4.48Å; L261-L273 HydrophobicContact CD2-CD1 3.84Å; L261-F284 HydrophobicContact CD1-CE2 3.84Å; L261-F284 HydrophobicContact CD1-CZ 4.32Å
262E93.8Very high90.3Very high103 Ų10363.1 Ų63.148%0.48133%0.328SS..Hα-helixtrans-56.4-51.6170.3179.2175.6-169.700111.6H258 L260 I264 G265 E267H258-E262 IonicContact ND1-OE2 3.46Å; H258-E262 WeakPolarHBondContact O-CB 3.42Å; H258-E262 PolarHBondContact O-N 3.22Å; L260-E262 PolarHBondContact O-N 3.43Å; E262-I264 VanDerWaalsContact C-N 3.28Å; E262-I264 PolarHBondContact O-N 2.66Å; E262-G265 PolarHBondContact O-N 3.02Å; E262-E267 WeakPolarHBondContact CA-OE1 3.3Å; E262-E267 HydrophobicContact CB-CG 4.1Å
263R92Very high91.4Very high115 Ų11558.7 Ų58.743%0.43430%0.299SS..Hα-helixtrans-61.6-30.5179.7-74.5177.6-175.9111.3-7.9114.6E259 L260E259-R263 VanDerWaalsContact CG-NH1 3.25Å; E259-R263 WeakPolarHBondContact O-CD 3.4Å; E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.25Å; E259-R263 PolarHBondContact O-NH1 3.39Å; E259-R263 IonicContact OE1-CZ 2.67Å; E259-R263 IonicContact OE1-NH1 2.68Å; E259-R263 IonicContact OE1-NH2 3.93Å; E259-R263 PolarHBondContact OE1-NH2 3.29Å; E259-R263 IonicContact OE2-CZ 2.65Å; E259-R263 IonicContact OE2-NH1 3.32Å; E259-R263 PolarHBondContact OE2-NH1 2.94Å; E259-R263 IonicContact OE2-NH2 2.96Å; E259-R263 PolarHBondContact OE2-NH2 2.97Å; L260-R263 PolarHBondContact O-N 3.44Å
264I92.4Very high92Very high37 Ų3758.5 Ų58.519%0.1930%0.302CS..Hα-helixtrans-92.8-3.2176.866.7-174.5000112.6L260 L261 E262 L266 K305 L306 A309L260-I264 HydrophobicContact CD1-CG2 4.34Å; L260-I264 WeakPolarHBondContact O-CG1 3.31Å; L260-I264 PolarHBondContact O-N 2.98Å; L261-I264 WeakPolarHBondContact O-CG1 3.47Å; L261-I264 PolarHBondContact O-N 3.22Å; E262-I264 VanDerWaalsContact C-N 3.28Å; E262-I264 PolarHBondContact O-N 2.66Å; I264-L266 HydrophobicContact CD1-CB 4.28Å; I264-L266 HydrophobicContact CD1-CD1 3.88Å; I264-L266 HydrophobicContact CD1-CG 4.33Å; I264-L266 HydrophobicContact CG1-CB 3.99Å; I264-L266 HydrophobicContact CG1-CD1 4.11Å; I264-L266 HydrophobicContact CG1-CG 4.03Å; I264-K305 WeakPolarHBondContact O-CD 3.48Å; I264-K305 WeakPolarHBondContact O-CE 3.47Å; I264-K305 PolarHBondContact O-NZ 3.21Å; I264-L306 HydrophobicContact CD1-CD2 3.95Å; I264-A309 HydrophobicContact CD1-CB 4.26Å; I264-A309 HydrophobicContact CG2-CB 4.49Å
265G91.6Very high92.5Very high46 Ų4665.2 Ų65.247%0.47434%0.336SS..THydrogen-bonded Turntrans61.852.4-177.600000112.3L261 E262 K305L261-G265 PolarHBondContact O-N 2.88Å; E262-G265 PolarHBondContact O-N 3.02Å; G265-K305 PolarHBondContact O-NZ 3Å
266L93.2Very high93.1Very high1 Ų161 Ų611%0.00532%0.322CS..  trans-134.429.8177.6-66.3-177.1000112.5L261 I264 E268 H269 H302 K305 L306L261-L266 PolarHBondContact O-N 2.81Å; I264-L266 HydrophobicContact CD1-CB 4.28Å; I264-L266 HydrophobicContact CD1-CD1 3.88Å; I264-L266 HydrophobicContact CD1-CG 4.33Å; I264-L266 HydrophobicContact CG1-CB 3.99Å; I264-L266 HydrophobicContact CG1-CD1 4.11Å; I264-L266 HydrophobicContact CG1-CG 4.03Å; L266-E268 PolarHBondContact O-N 3.12Å; L266-E268 VanDerWaalsContact O-N 3.12Å; L266-H269 PolarHBondContact O-N 2.8Å; L266-H302 HydrophobicContact CD1-CB 4.29Å; L266-H302 HydrophobicContact CD2-CB 3.93Å; L266-H302 WeakPolarHBondContact CD2-CD2 3.17Å; L266-H302 VanDerWaalsContact CD2-CG 3.46Å; L266-K305 HydrophobicContact CD1-CB 3.72Å; L266-K305 HydrophobicContact CD1-CD 3.82Å; L266-K305 HydrophobicContact CD1-CG 4.48Å; L266-K305 HydrophobicContact CD2-CD 4.04Å; L266-K305 HydrophobicContact CG-CD 3.88Å; L266-L306 HydrophobicContact CD1-CD1 4.17Å; L266-L306 HydrophobicContact CD1-CD2 3.79Å; L266-L306 HydrophobicContact CD1-CG 3.59Å
267E92.5Very high93Very high100 Ų10059.3 Ų59.347%0.46732%0.319SS..G310 helixtrans-53.2-31.7178.5-67.2161.9-135.900113E262 H269 T270E262-E267 WeakPolarHBondContact CA-OE1 3.3Å; E262-E267 HydrophobicContact CB-CG 4.1Å; E267-H269 PolarHBondContact O-N 2.78Å; E267-T270 WeakPolarHBondContact O-CB 3.43Å; E267-T270 PolarHBondContact O-N 2.84Å; E267-T270 PolarHBondContact O-OG1 2.87Å
268E92.8Very high93.1Very high124 Ų12460.4 Ų60.458%0.57932%0.323SS*.G310 helixtrans-57.1-28.6175.249.8164.1-148.800114.2L266 T270 H302L266-E268 PolarHBondContact O-N 3.12Å; L266-E268 VanDerWaalsContact O-N 3.12Å; E268-T270 VanDerWaalsContact C-N 3.35Å; E268-H302 IonicContact OE1-CE1 2.74Å; E268-H302 PolarHBondContact OE1-CE1 3.46Å; E268-H302 IonicContact OE1-ND1 3.51Å; E268-H302 PolarHBondContact OE1-ND1 2.8Å
269H92.4Very high93Very high26 Ų2662.7 Ų62.712%0.1233%0.334CS..G310 helixtrans-86.5-5178.2-63.1-65.7000113.3L266 E267 S271 T272 L273 I297 H302L266-H269 PolarHBondContact O-N 2.8Å; E267-H269 PolarHBondContact O-N 2.78Å; H269-S271 PolarHBondContact O-N 2.9Å; H269-T272 WeakPolarHBondContact O-CB 3.24Å; H269-T272 PolarHBondContact O-N 2.89Å; H269-L273 HydrophobicContact CB-CD1 4.2Å; H269-L273 WeakPolarHBondContact O-CB 3.18Å; H269-L273 PolarHBondContact O-N 3.18Å; H269-I297 HydrophobicContact CB-CD1 4.01Å; H269-H302 AromaticContact CD2-ND1 3.99Å; H269-H302 AromaticContact NE2-CE1 3.87Å; H269-H302 AromaticContact NE2-ND1 3.17Å; H269-H302 PolarHBondContact NE2-ND1 2.79Å; H269-H302 VanDerWaalsContact NE2-ND1 3.17Å
270T93.4Very high92.9Very high16 Ų1663.3 Ų63.310%0.09834%0.342CS..Hα-helixtrans-57-50.7-177.4-51.90000111.1L257 L261 E267 E268 T272 L273 L274L257-T270 HydrophobicContact CD2-CG2 4.4Å; L261-T270 HydrophobicContact CD2-CG2 4.49Å; L261-T270 VanDerWaalsContact CD2-OG1 3.26Å; L261-T270 WeakPolarHBondContact CD2-OG1 3.26Å; E267-T270 WeakPolarHBondContact O-CB 3.43Å; E267-T270 PolarHBondContact O-N 2.84Å; E267-T270 PolarHBondContact O-OG1 2.87Å; E268-T270 VanDerWaalsContact C-N 3.35Å; T270-T272 VanDerWaalsContact C-N 3.32Å; T270-T272 PolarHBondContact O-N 2.83Å; T270-L273 PolarHBondContact O-N 2.92Å; T270-L274 HydrophobicContact CG2-CD1 3.88Å; T270-L274 WeakPolarHBondContact O-CB 3.39Å; T270-L274 VanDerWaalsContact O-CD1 3.31Å; T270-L274 WeakPolarHBondContact O-CD1 3.36Å; T270-L274 PolarHBondContact O-N 3.34Å
271S94.4Very high92.8Very high92 Ų9263.9 Ų63.964%0.64335%0.345SS*.Hα-helixtrans-62.1-39.2179.9-550000112.5H269 L275H269-S271 PolarHBondContact O-N 2.9Å; S271-L275 VanDerWaalsContact O-CB 3.31Å; S271-L275 WeakPolarHBondContact O-CB 3.48Å; S271-L275 PolarHBondContact O-N 3.36Å
272T93.9Very high92.8Very high47 Ų4769 Ų6929%0.28837%0.369SS..Hα-helixtrans-64.6-44.7177.8-48.90000111.2H269 T270 N276 L295H269-T272 WeakPolarHBondContact O-CB 3.24Å; H269-T272 PolarHBondContact O-N 2.89Å; T270-T272 VanDerWaalsContact C-N 3.32Å; T270-T272 PolarHBondContact O-N 2.83Å; T272-N276 PolarHBondContact O-N 2.9Å; T272-N276 PolarHBondContact O-ND2 3.35Å; T272-L295 HydrophobicContact CG2-CB 4.24Å; T272-L295 HydrophobicContact CG2-CD2 4.23Å
273L93.4Very high92.7Very high0 Ų066.9 Ų66.90%036%0.361CS..Hα-helixtrans-66.5-47.6178-80.4158.2000111.5L261 H269 T270 L275 N276 G277 Y278 F284 L287 L295 L306L261-L273 HydrophobicContact CD1-CD1 4.48Å; L261-L273 HydrophobicContact CD2-CD1 3.84Å; H269-L273 HydrophobicContact CB-CD1 4.2Å; H269-L273 WeakPolarHBondContact O-CB 3.18Å; H269-L273 PolarHBondContact O-N 3.18Å; T270-L273 PolarHBondContact O-N 2.92Å; L273-L275 PolarHBondContact O-N 3.23Å; L273-N276 CarbonylContact O-C 3.51Å; L273-N276 PolarHBondContact O-N 3.24Å; L273-N276 VanDerWaalsContact O-N 3.12Å; L273-G277 PolarHBondContact O-N 2.8Å; L273-Y278 HydrophobicContact CD2-CD1 4.2Å; L273-Y278 HydrophobicContact CD2-CD2 3.67Å; L273-Y278 HydrophobicContact CD2-CE2 4.19Å; L273-Y278 HydrophobicContact CD2-CG 3.69Å; L273-Y278 WeakPolarHBondContact O-CB 3.5Å; L273-Y278 WeakPolarHBondContact O-CD2 3.34Å; L273-Y278 PolarHBondContact O-N 3.31Å; L273-F284 HydrophobicContact CD1-CE2 4.29Å; L273-L287 HydrophobicContact CD2-CD1 4.17Å; L273-L295 HydrophobicContact CD2-CD1 3.56Å; L273-L295 HydrophobicContact CG-CD1 4.3Å; L273-L306 HydrophobicContact CD1-CD2 4.46Å
274L93.2Very high92.8Very high83 Ų8361.4 Ų61.444%0.43534%0.34SS..Hα-helixtrans-60.3-43178.2-95.567000112.5L257 T270 N276 G277 Y278L257-L274 HydrophobicContact CD2-CD1 3.89Å; T270-L274 HydrophobicContact CG2-CD1 3.88Å; T270-L274 WeakPolarHBondContact O-CB 3.39Å; T270-L274 VanDerWaalsContact O-CD1 3.31Å; T270-L274 WeakPolarHBondContact O-CD1 3.36Å; T270-L274 PolarHBondContact O-N 3.34Å; L274-N276 PolarHBondContact O-N 3.01Å; L274-G277 PolarHBondContact O-N 2.98Å; L274-G277 VanDerWaalsContact O-N 3.09Å; L274-Y278 WeakPolarHBondContact CD1-O 3.49Å
275L93.9Very high92.8Very high156 Ų15660.7 Ų60.782%0.81734%0.335SS*.Hα-helixtrans-64.2-25.1178.6-175.161.3000112.7S271 L273S271-L275 VanDerWaalsContact O-CB 3.31Å; S271-L275 WeakPolarHBondContact O-CB 3.48Å; S271-L275 PolarHBondContact O-N 3.36Å; L273-L275 PolarHBondContact O-N 3.23Å
276N93.4Very high92.9Very high91 Ų9164.8 Ų64.849%0.48734%0.342SS..THydrogen-bonded Turntrans-97.917.4177-72.9-91.4000113T272 L273 L274 Y278 L295T272-N276 PolarHBondContact O-N 2.9Å; T272-N276 PolarHBondContact O-ND2 3.35Å; L273-N276 CarbonylContact O-C 3.51Å; L273-N276 PolarHBondContact O-N 3.24Å; L273-N276 VanDerWaalsContact O-N 3.12Å; L274-N276 PolarHBondContact O-N 3.01Å; N276-Y278 HydrophobicContact CB-CD2 4.29Å; N276-Y278 HydrophobicContact CB-CE2 4.42Å; N276-L295 HydrophobicContact CB-CD2 3.38Å; N276-L295 VanDerWaalsContact ND2-CD2 3.34Å; N276-L295 WeakPolarHBondContact ND2-CD2 3.38Å
277G90.6Very high92.9Very high36 Ų3665 Ų6537%0.37134%0.344SS..THydrogen-bonded Turntrans91.5-6170.800000116L273 L274 Q279L273-G277 PolarHBondContact O-N 2.8Å; L274-G277 PolarHBondContact O-N 2.98Å; L274-G277 VanDerWaalsContact O-N 3.09Å; G277-Q279 PolarHBondContact O-N 2.68Å
278Y94Very high93Very high28 Ų2866.9 Ų66.911%0.1135%0.346CS..  trans-74.190.4175.3-62.6-94.3000109.7L257 L273 L274 N276 D283 L287 H291 L295L257-Y278 WeakPolarHBondContact CD1-O 3.4Å; L273-Y278 HydrophobicContact CD2-CD1 4.2Å; L273-Y278 HydrophobicContact CD2-CD2 3.67Å; L273-Y278 HydrophobicContact CD2-CE2 4.19Å; L273-Y278 HydrophobicContact CD2-CG 3.69Å; L273-Y278 WeakPolarHBondContact O-CB 3.5Å; L273-Y278 WeakPolarHBondContact O-CD2 3.34Å; L273-Y278 PolarHBondContact O-N 3.31Å; L274-Y278 WeakPolarHBondContact CD1-O 3.49Å; N276-Y278 HydrophobicContact CB-CD2 4.29Å; N276-Y278 HydrophobicContact CB-CE2 4.42Å; Y278-D283 HydrophobicContact CD1-CB 3.98Å; Y278-D283 WeakPolarHBondContact CD1-O 3.45Å; Y278-D283 VanDerWaalsContact CE1-O 3.25Å; Y278-D283 WeakPolarHBondContact CE1-O 3.34Å; Y278-L287 HydrophobicContact CD1-CD1 4.46Å; Y278-L287 HydrophobicContact CE1-CB 4.27Å; Y278-L287 HydrophobicContact CE1-CD1 3.71Å; Y278-L287 HydrophobicContact CE2-CD1 4.49Å; Y278-H291 VanDerWaalsContact OH-CB 3.25Å; Y278-H291 WeakPolarHBondContact OH-CB 3.5Å; Y278-H291 PolarHBondContact OH-ND1 3.48Å; Y278-L295 HydrophobicContact CE2-CD1 4.21Å
279Q90.7Very high93Very high147 Ų14766.3 Ų66.369%0.68734%0.343SS*.  trans-108.2-32.7-178.5-70.4175.476.900111.8G277 D283G277-Q279 PolarHBondContact O-N 2.68Å; Q279-D283 PolarHBondContact N-OD2 3.33Å
280T92.1Very high93.1Very high68 Ų6868.4 Ų68.442%0.41736%0.358SS..SBendtrans-105.9168.9-178.875.10000111.6E282 D283 F284T280-E282 WeakPolarHBondContact OG1-CB 3.48Å; T280-E282 PolarHBondContact OG1-N 3.42Å; T280-E282 VanDerWaalsContact OG1-N 3.14Å; T280-D283 WeakPolarHBondContact CA-OD2 3.48Å; T280-D283 WeakPolarHBondContact CB-OD2 3.25Å; T280-D283 PolarHBondContact N-OD2 2.94Å; T280-D283 PolarHBondContact OG1-N 2.93Å; T280-D283 PolarHBondContact OG1-OD1 3.48Å; T280-D283 PolarHBondContact OG1-OD2 3.48Å; T280-F284 PolarHBondContact O-N 2.99Å
281L92Very high93.2Very high25 Ų2568.9 Ų68.913%0.13136%0.359CS..Hα-helixtrans-73.5-15.3169.1-68.4170.9000112.5P254 L257 L260 K285 L313P254-L281 HydrophobicContact CB-CD1 4.07Å; P254-L281 HydrophobicContact CB-CD2 4.39Å; P254-L281 WeakPolarHBondContact O-CD1 3.16Å; L257-L281 HydrophobicContact CB-CD2 4.48Å; L260-L281 HydrophobicContact CB-CD2 4.27Å; L260-L281 HydrophobicContact CD2-CD2 3.94Å; L281-K285 WeakPolarHBondContact O-CG 3.34Å; L281-K285 PolarHBondContact O-N 2.65Å; L281-L313 HydrophobicContact CB-CD1 4.5Å; L281-L313 HydrophobicContact CD2-CD1 4.12Å
282E92.3Very high93.2Very high109 Ų10964.5 Ų64.551%0.50933%0.329SS..Hα-helixtrans-72.5-52.8176.7-154.361.6-133.500110.1T280 F284 K285T280-E282 WeakPolarHBondContact OG1-CB 3.48Å; T280-E282 PolarHBondContact OG1-N 3.42Å; T280-E282 VanDerWaalsContact OG1-N 3.14Å; E282-F284 PolarHBondContact O-N 3.12Å; E282-F284 VanDerWaalsContact O-N 3.12Å; E282-K285 WeakPolarHBondContact O-CB 3.37Å; E282-K285 PolarHBondContact O-N 3.4Å; E282-K285 WeakPolarHBondContact OE1-CD 3.45Å; E282-K285 IonicContact OE1-NZ 2.58Å; E282-K285 PolarHBondContact OE1-NZ 2.82Å; E282-K285 WeakPolarHBondContact OE2-CE 3.34Å; E282-K285 IonicContact OE2-NZ 3.55Å; E282-K285 PolarHBondContact OE2-NZ 3.17Å
283D92.8Very high93.2Very high58 Ų5866.5 Ų66.531%0.3134%0.338SS..Hα-helixtrans-52.6-38.5174.2-40.4-49.5000110.9Y278 Q279 T280 E286Y278-D283 HydrophobicContact CD1-CB 3.98Å; Y278-D283 WeakPolarHBondContact CD1-O 3.45Å; Y278-D283 VanDerWaalsContact CE1-O 3.25Å; Y278-D283 WeakPolarHBondContact CE1-O 3.34Å; Q279-D283 PolarHBondContact N-OD2 3.33Å; T280-D283 WeakPolarHBondContact CA-OD2 3.48Å; T280-D283 WeakPolarHBondContact CB-OD2 3.25Å; T280-D283 PolarHBondContact N-OD2 2.94Å; T280-D283 PolarHBondContact OG1-N 2.93Å; T280-D283 PolarHBondContact OG1-OD1 3.48Å; T280-D283 PolarHBondContact OG1-OD2 3.48Å; D283-E286 PolarHBondContact O-N 3.32Å
284F93.9Very high93.2Very high0 Ų073.2 Ų73.20%037%0.369CS..Hα-helixtrans-70.8-26.2179.7-167-84.4000114L257 L260 L261 L273 T280 E282 E286 L287 L306 A309 A310 L313L257-F284 HydrophobicContact CD1-CB 4.22Å; L257-F284 HydrophobicContact CD1-CD2 3.9Å; L257-F284 HydrophobicContact CD1-CG 4.45Å; L257-F284 HydrophobicContact CG-CD2 4.25Å; L260-F284 HydrophobicContact CD2-CD1 3.74Å; L260-F284 HydrophobicContact CD2-CE1 3.53Å; L260-F284 HydrophobicContact CD2-CG 4.4Å; L260-F284 HydrophobicContact CD2-CZ 4.01Å; L261-F284 HydrophobicContact CD1-CE2 3.84Å; L261-F284 HydrophobicContact CD1-CZ 4.32Å; L273-F284 HydrophobicContact CD1-CE2 4.29Å; T280-F284 PolarHBondContact O-N 2.99Å; E282-F284 PolarHBondContact O-N 3.12Å; E282-F284 VanDerWaalsContact O-N 3.12Å; F284-E286 VanDerWaalsContact C-N 3.27Å; F284-E286 PolarHBondContact O-N 3.25Å; F284-L287 HydrophobicContact CD2-CD2 4.05Å; F284-L287 HydrophobicContact CE1-CD2 4.31Å; F284-L287 HydrophobicContact CE2-CD2 3.61Å; F284-L287 HydrophobicContact CZ-CD2 3.76Å; F284-L287 WeakPolarHBondContact O-CB 3.4Å; F284-L287 PolarHBondContact O-N 2.66Å; F284-L306 HydrophobicContact CE2-CD2 3.85Å; F284-L306 HydrophobicContact CZ-CD2 3.71Å; F284-A309 HydrophobicContact CE1-CB 3.93Å; F284-A309 HydrophobicContact CZ-CB 4.28Å; F284-A310 HydrophobicContact CD1-CB 4.27Å; F284-A310 HydrophobicContact CE1-CB 4.12Å; F284-A310 WeakPolarHBondContact O-CB 3.18Å; F284-L313 HydrophobicContact CD1-CD1 3.77Å; F284-L313 HydrophobicContact CE1-CD1 4.45Å
285K92.4Very high93.1Very high21 Ų2170 Ų709%0.09135%0.352CS..Hα-helixtrans-66.5-32.2173.4-70.1169.7-154.6171.20111.8L281 E282 L287 L313 L314 D317L281-K285 WeakPolarHBondContact O-CG 3.34Å; L281-K285 PolarHBondContact O-N 2.65Å; E282-K285 WeakPolarHBondContact O-CB 3.37Å; E282-K285 PolarHBondContact O-N 3.4Å; E282-K285 WeakPolarHBondContact OE1-CD 3.45Å; E282-K285 IonicContact OE1-NZ 2.58Å; E282-K285 PolarHBondContact OE1-NZ 2.82Å; E282-K285 WeakPolarHBondContact OE2-CE 3.34Å; E282-K285 IonicContact OE2-NZ 3.55Å; E282-K285 PolarHBondContact OE2-NZ 3.17Å; K285-L287 PolarHBondContact O-N 2.86Å; K285-L313 HydrophobicContact CG-CB 3.81Å; K285-L313 HydrophobicContact CG-CD1 4.27Å; K285-L314 HydrophobicContact CB-CD2 4.03Å; K285-L314 HydrophobicContact CB-CG 4.42Å; K285-L314 HydrophobicContact CD-CD2 4.13Å; K285-L314 HydrophobicContact CG-CD2 4.25Å; K285-D317 VanDerWaalsContact CE-OD2 3.3Å; K285-D317 WeakPolarHBondContact CE-OD2 3.46Å; K285-D317 IonicContact NZ-OD2 3.93Å; K285-D317 PolarHBondContact NZ-OD2 2.96Å
286E93.1Very high93Very high133 Ų13368.7 Ų68.762%0.62135%0.346SS*.THydrogen-bonded Turntrans-77.8-1.5178.2-57.8-163.6174.200113.5D283 F284 R288 H291D283-E286 PolarHBondContact O-N 3.32Å; F284-E286 VanDerWaalsContact C-N 3.27Å; F284-E286 PolarHBondContact O-N 3.25Å; E286-R288 PolarHBondContact O-N 3.3Å; E286-H291 PolarHBondContact O-CE1 3.25Å; E286-H291 VanDerWaalsContact O-CE1 3.24Å; E286-H291 PolarHBondContact O-ND1 3.44Å
287L93.8Very high93Very high6 Ų664.6 Ų64.63%0.03132%0.324CS..  trans-62.1105.7-177.7-17368.2000111.5L273 Y278 F284 K285 H291 L292 L295 L306 L307 A310L273-L287 HydrophobicContact CD2-CD1 4.17Å; Y278-L287 HydrophobicContact CD1-CD1 4.46Å; Y278-L287 HydrophobicContact CE1-CB 4.27Å; Y278-L287 HydrophobicContact CE1-CD1 3.71Å; Y278-L287 HydrophobicContact CE2-CD1 4.49Å; F284-L287 HydrophobicContact CD2-CD2 4.05Å; F284-L287 HydrophobicContact CE1-CD2 4.31Å; F284-L287 HydrophobicContact CE2-CD2 3.61Å; F284-L287 HydrophobicContact CZ-CD2 3.76Å; F284-L287 WeakPolarHBondContact O-CB 3.4Å; F284-L287 PolarHBondContact O-N 2.66Å; K285-L287 PolarHBondContact O-N 2.86Å; L287-H291 HydrophobicContact CD1-CB 4.05Å; L287-L292 HydrophobicContact CD1-CD2 4.04Å; L287-L292 HydrophobicContact CD1-CG 4.31Å; L287-L292 HydrophobicContact CD2-CD2 4.11Å; L287-L292 HydrophobicContact CG-CD2 4.22Å; L287-L292 HydrophobicContact CG-CG 4.37Å; L287-L295 HydrophobicContact CD1-CD1 4.23Å; L287-L306 HydrophobicContact CD2-CB 3.92Å; L287-L307 WeakPolarHBondContact O-CD2 3.42Å; L287-A310 HydrophobicContact CB-CB 4.43Å
288R93.6Very high93.1Very high138 Ų13867.6 Ų67.652%0.52133%0.33SS..  trans-102.5164.7178.6-79.3-179.7-80.8101.1-2.1112.2E286 T290 H291 L292E286-R288 PolarHBondContact O-N 3.3Å; R288-T290 PolarHBondContact NH1-OG1 3.09Å; R288-T290 PolarHBondContact O-N 2.65Å; R288-T290 VanDerWaalsContact O-N 3.15Å; R288-H291 VanDerWaalsContact CZ-CE1 3.49Å; R288-H291 PolarHBondContact N-ND1 2.92Å; R288-H291 PolarHBondContact NH1-NE2 3.48Å; R288-H291 VanDerWaalsContact NH1-NE2 3.14Å; R288-H291 PolarHBondContact NH2-CE1 3.24Å; R288-H291 VanDerWaalsContact NH2-CE1 3.31Å; R288-H291 PolarHBondContact NH2-NE2 3.46Å; R288-H291 PolarHBondContact O-N 2.93Å; R288-L292 PolarHBondContact O-N 3.02Å
289E94.1Very high93.1Very high112 Ų11269.4 Ų69.452%0.52334%0.341SS..Hα-helixtrans-57.9-28.6177.2-171.4174.8178.400113N293 R303 L307E289-N293 PolarHBondContact O-N 2.87Å; E289-R303 VanDerWaalsContact CD-NH2 3.35Å; E289-R303 IonicContact OE1-CZ 3.74Å; E289-R303 IonicContact OE1-NH1 2.77Å; E289-R303 IonicContact OE1-NH2 2.63Å; E289-R303 PolarHBondContact OE1-NH2 3.12Å; E289-L307 HydrophobicContact CB-CD1 4.2Å; E289-L307 HydrophobicContact CG-CD1 4.49Å
290T94.3Very high93.3Very high71 Ų7166.6 Ų66.644%0.43634%0.336SS..Hα-helixtrans-65.6-46.3172.951.20000112.3R288 L292 N293 E294R288-T290 PolarHBondContact NH1-OG1 3.09Å; R288-T290 PolarHBondContact O-N 2.65Å; R288-T290 VanDerWaalsContact O-N 3.15Å; T290-L292 VanDerWaalsContact C-N 3.31Å; T290-L292 PolarHBondContact O-N 3.5Å; T290-N293 VanDerWaalsContact O-CB 3.28Å; T290-N293 WeakPolarHBondContact O-CB 3.28Å; T290-N293 PolarHBondContact O-N 3.42Å; T290-E294 PolarHBondContact O-N 2.98Å; T290-E294 VanDerWaalsContact O-N 3.12Å
291H94.5Very high93.4Very high25 Ų2569.7 Ų69.712%0.11635%0.345CS..Hα-helixtrans-65-39.2-179.6-51.4162000110.4Y278 E286 L287 R288 N293 E294 L295Y278-H291 VanDerWaalsContact OH-CB 3.25Å; Y278-H291 WeakPolarHBondContact OH-CB 3.5Å; Y278-H291 PolarHBondContact OH-ND1 3.48Å; E286-H291 PolarHBondContact O-CE1 3.25Å; E286-H291 VanDerWaalsContact O-CE1 3.24Å; E286-H291 PolarHBondContact O-ND1 3.44Å; L287-H291 HydrophobicContact CD1-CB 4.05Å; R288-H291 VanDerWaalsContact CZ-CE1 3.49Å; R288-H291 PolarHBondContact N-ND1 2.92Å; R288-H291 PolarHBondContact NH1-NE2 3.48Å; R288-H291 VanDerWaalsContact NH1-NE2 3.14Å; R288-H291 PolarHBondContact NH2-CE1 3.24Å; R288-H291 VanDerWaalsContact NH2-CE1 3.31Å; R288-H291 PolarHBondContact NH2-NE2 3.46Å; R288-H291 PolarHBondContact O-N 2.93Å; H291-N293 PolarHBondContact O-N 2.8Å; H291-E294 IonicContact CD2-OE2 3.52Å; H291-E294 PolarHBondContact O-N 3.2Å; H291-E294 VanDerWaalsContact O-N 3.11Å; H291-L295 WeakPolarHBondContact O-CB 3.44Å; H291-L295 WeakPolarHBondContact O-CG 3.23Å; H291-L295 PolarHBondContact O-N 2.73Å
292L94.7Very high93.6Very high0 Ų070.6 Ų70.60%035%0.349CS..Hα-helixtrans-61.2-29.4174.9-65.6172.8000113.4L287 R288 T290 L295 N296 I297 R303 L306 L307L287-L292 HydrophobicContact CD1-CD2 4.04Å; L287-L292 HydrophobicContact CD1-CG 4.31Å; L287-L292 HydrophobicContact CD2-CD2 4.11Å; L287-L292 HydrophobicContact CG-CD2 4.22Å; L287-L292 HydrophobicContact CG-CG 4.37Å; R288-L292 PolarHBondContact O-N 3.02Å; T290-L292 VanDerWaalsContact C-N 3.31Å; T290-L292 PolarHBondContact O-N 3.5Å; L292-L295 HydrophobicContact CD2-CD1 4.47Å; L292-N296 PolarHBondContact O-N 3.17Å; L292-I297 HydrophobicContact CD2-CB 4.34Å; L292-I297 HydrophobicContact CD2-CD1 4.03Å; L292-I297 WeakPolarHBondContact O-CA 3.37Å; L292-I297 PolarHBondContact O-N 2.89Å; L292-R303 HydrophobicContact CB-CG 4.29Å; L292-R303 HydrophobicContact CD1-CB 4.06Å; L292-R303 HydrophobicContact CD1-CG 4.11Å; L292-L306 HydrophobicContact CD1-CB 4.37Å; L292-L306 HydrophobicContact CD2-CB 4.21Å; L292-L306 HydrophobicContact CD2-CD1 3.5Å; L292-L306 VanDerWaalsContact CD2-CD1 3.5Å; L292-L306 HydrophobicContact CD2-CG 4.47Å; L292-L307 HydrophobicContact CD1-CD1 4.11Å; L292-L307 HydrophobicContact CD1-CD2 3.79Å; L292-L307 HydrophobicContact CD1-CG 3.66Å
293N93.9Very high93.7Very high89 Ų8967.7 Ų67.748%0.47633%0.333SS..Hα-helixtrans-72.7-42.3173.4-171.865.4000111.5E289 T290 H291 N296 M298E289-N293 PolarHBondContact O-N 2.87Å; T290-N293 VanDerWaalsContact O-CB 3.28Å; T290-N293 WeakPolarHBondContact O-CB 3.28Å; T290-N293 PolarHBondContact O-N 3.42Å; H291-N293 PolarHBondContact O-N 2.8Å; N293-N296 PolarHBondContact O-N 2.77Å; N293-N296 VanDerWaalsContact O-N 3.08Å; N293-M298 WeakPolarHBondContact OD1-CE 3.3Å
294E93.4Very high93.8Very high142 Ų14267.2 Ų67.266%0.66434%0.337SS*.Hα-helixtrans-64.9-37.7175.3-68.3152.3-157.600112.2T290 H291 N296T290-E294 PolarHBondContact O-N 2.98Å; T290-E294 VanDerWaalsContact O-N 3.12Å; H291-E294 IonicContact CD2-OE2 3.52Å; H291-E294 PolarHBondContact O-N 3.2Å; H291-E294 VanDerWaalsContact O-N 3.11Å; E294-N296 PolarHBondContact O-N 3.24Å
295L92.1Very high93.9Very high14 Ų1471 Ų717%0.07335%0.354CS..THydrogen-bonded Turntrans-72.2-0.1172.6-62.2170.7000113.4T272 L273 N276 Y278 L287 H291 L292 I297T272-L295 HydrophobicContact CG2-CB 4.24Å; T272-L295 HydrophobicContact CG2-CD2 4.23Å; L273-L295 HydrophobicContact CD2-CD1 3.56Å; L273-L295 HydrophobicContact CG-CD1 4.3Å; N276-L295 HydrophobicContact CB-CD2 3.38Å; N276-L295 VanDerWaalsContact ND2-CD2 3.34Å; N276-L295 WeakPolarHBondContact ND2-CD2 3.38Å; Y278-L295 HydrophobicContact CE2-CD1 4.21Å; L287-L295 HydrophobicContact CD1-CD1 4.23Å; H291-L295 WeakPolarHBondContact O-CB 3.44Å; H291-L295 WeakPolarHBondContact O-CG 3.23Å; H291-L295 PolarHBondContact O-N 2.73Å; L292-L295 HydrophobicContact CD2-CD1 4.47Å; L295-I297 HydrophobicContact CB-CD1 3.98Å; L295-I297 HydrophobicContact CB-CG1 3.87Å; L295-I297 HydrophobicContact CD1-CD1 4.18Å; L295-I297 PolarHBondContact O-N 2.78Å; L295-I297 VanDerWaalsContact O-N 3.14Å
296N91.9Very high94Very high129 Ų12970 Ų7069%0.6935%0.35SS*.THydrogen-bonded Turntrans56.822.2-175.4-159.764.9000114.4L292 N293 E294 M298L292-N296 PolarHBondContact O-N 3.17Å; N293-N296 PolarHBondContact O-N 2.77Å; N293-N296 VanDerWaalsContact O-N 3.08Å; E294-N296 PolarHBondContact O-N 3.24Å; N296-M298 VanDerWaalsContact C-N 3.26Å; N296-M298 PolarHBondContact O-N 2.88Å
297I92.9Very high94.1Very high5 Ų566 Ų663%0.02633%0.332CS..  trans-82.675.8174.8-52.7177.9000107.6H269 L292 L295 H302 R303 L306H269-I297 HydrophobicContact CB-CD1 4.01Å; L292-I297 HydrophobicContact CD2-CB 4.34Å; L292-I297 HydrophobicContact CD2-CD1 4.03Å; L292-I297 WeakPolarHBondContact O-CA 3.37Å; L292-I297 PolarHBondContact O-N 2.89Å; L295-I297 HydrophobicContact CB-CD1 3.98Å; L295-I297 HydrophobicContact CB-CG1 3.87Å; L295-I297 HydrophobicContact CD1-CD1 4.18Å; L295-I297 PolarHBondContact O-N 2.78Å; L295-I297 VanDerWaalsContact O-N 3.14Å; I297-H302 HydrophobicContact CG2-CB 3.95Å; I297-R303 HydrophobicContact CG2-CG 4.44Å; I297-R303 WeakPolarHBondContact O-CD 3.43Å; I297-R303 WeakPolarHBondContact O-CG 3.43Å; I297-L306 HydrophobicContact CD1-CD1 4Å; I297-L306 HydrophobicContact CG2-CD1 4.13Å
298M91.6Very high94.1Very high99 Ų9968.9 Ų68.949%0.48835%0.35SS..  trans-80.8-18.1-174.7-67.3-106.473.800113.9N293 N296 R303N293-M298 WeakPolarHBondContact OD1-CE 3.3Å; N296-M298 VanDerWaalsContact C-N 3.26Å; N296-M298 PolarHBondContact O-N 2.88Å; M298-R303 WeakPolarHBondContact O-CD 3.36Å
299D95.3Very high94.1Very high66 Ų6662.6 Ų62.635%0.35333%0.328SS..  trans-65.4126.8-175.3176.777.7000112.5Q301 H302 R303D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.79Å; D299-Q301 VanDerWaalsContact OD2-CA 3.29Å; D299-Q301 WeakPolarHBondContact OD2-CA 3.33Å; D299-Q301 VanDerWaalsContact OD2-CB 3.24Å; D299-Q301 WeakPolarHBondContact OD2-CB 3.45Å; D299-Q301 PolarHBondContact OD2-N 3.07Å; D299-H302 HydrophobicContact CB-CB 4.12Å; D299-H302 PolarHBondContact O-N 2.8Å; D299-H302 IonicContact OD2-CD2 3.26Å; D299-H302 PolarHBondContact OD2-CD2 3.11Å; D299-H302 VanDerWaalsContact OD2-CD2 3.25Å; D299-H302 IonicContact OD2-CG 2.76Å; D299-H302 PolarHBondContact OD2-N 3.14Å; D299-H302 IonicContact OD2-NE2 3.44Å; D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 WeakPolarHBondContact O-CD 3.27Å; D299-R303 WeakPolarHBondContact O-CG 3.02Å; D299-R303 PolarHBondContact O-N 3.45Å
300P94.1Very high94.1Very high88 Ų8857.5 Ų57.557%0.57130%0.304SS*.Hα-helixtrans-68.1-26.1-175.826.7-35.9000114.4A304P300-A304 WeakPolarHBondContact O-CB 3.24Å; P300-A304 PolarHBondContact O-N 2.85Å; P300-A304 VanDerWaalsContact O-N 3.13Å
301Q94.8Very high94Very high133 Ų13358.2 Ų58.262%0.62130%0.303SS*.Hα-helixtrans-72.8-43.7174.2-62.2-68.6-86.700110.5D299 A304 K305D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.79Å; D299-Q301 VanDerWaalsContact OD2-CA 3.29Å; D299-Q301 WeakPolarHBondContact OD2-CA 3.33Å; D299-Q301 VanDerWaalsContact OD2-CB 3.24Å; D299-Q301 WeakPolarHBondContact OD2-CB 3.45Å; D299-Q301 PolarHBondContact OD2-N 3.07Å; Q301-A304 PolarHBondContact O-N 3.24Å; Q301-K305 WeakPolarHBondContact O-CB 3.31Å; Q301-K305 WeakPolarHBondContact O-CG 3.43Å; Q301-K305 PolarHBondContact O-N 3.03Å
302H95Very high93.8Very high44 Ų4461.3 Ų61.320%0.20432%0.32CS..Hα-helixtrans-67.5-44.5-178.7-61.3-174.4000110.2L266 E268 H269 I297 D299 A304 K305 L306L266-H302 HydrophobicContact CD1-CB 4.29Å; L266-H302 HydrophobicContact CD2-CB 3.93Å; L266-H302 WeakPolarHBondContact CD2-CD2 3.17Å; L266-H302 VanDerWaalsContact CD2-CG 3.46Å; E268-H302 IonicContact OE1-CE1 2.74Å; E268-H302 PolarHBondContact OE1-CE1 3.46Å; E268-H302 IonicContact OE1-ND1 3.51Å; E268-H302 PolarHBondContact OE1-ND1 2.8Å; H269-H302 AromaticContact CD2-ND1 3.99Å; H269-H302 AromaticContact NE2-CE1 3.87Å; H269-H302 AromaticContact NE2-ND1 3.17Å; H269-H302 PolarHBondContact NE2-ND1 2.79Å; H269-H302 VanDerWaalsContact NE2-ND1 3.17Å; I297-H302 HydrophobicContact CG2-CB 3.95Å; D299-H302 HydrophobicContact CB-CB 4.12Å; D299-H302 PolarHBondContact O-N 2.8Å; D299-H302 IonicContact OD2-CD2 3.26Å; D299-H302 PolarHBondContact OD2-CD2 3.11Å; D299-H302 VanDerWaalsContact OD2-CD2 3.25Å; D299-H302 IonicContact OD2-CG 2.76Å; D299-H302 PolarHBondContact OD2-N 3.14Å; D299-H302 IonicContact OD2-NE2 3.44Å; H302-A304 PolarHBondContact O-N 3.05Å; H302-K305 PolarHBondContact O-N 3.05Å; H302-L306 WeakPolarHBondContact O-CB 3.17Å; H302-L306 VanDerWaalsContact O-CG 3.28Å; H302-L306 WeakPolarHBondContact O-CG 3.28Å; H302-L306 PolarHBondContact O-N 3.15Å
303R95.3Very high93.6Very high48 Ų4861.5 Ų61.518%0.18132%0.321CS..Hα-helixtrans-59.3-47173.9-65.4167.889.8-144.1-2.3112E289 L292 I297 M298 D299 K305 L306 L307E289-R303 VanDerWaalsContact CD-NH2 3.35Å; E289-R303 IonicContact OE1-CZ 3.74Å; E289-R303 IonicContact OE1-NH1 2.77Å; E289-R303 IonicContact OE1-NH2 2.63Å; E289-R303 PolarHBondContact OE1-NH2 3.12Å; L292-R303 HydrophobicContact CB-CG 4.29Å; L292-R303 HydrophobicContact CD1-CB 4.06Å; L292-R303 HydrophobicContact CD1-CG 4.11Å; I297-R303 HydrophobicContact CG2-CG 4.44Å; I297-R303 WeakPolarHBondContact O-CD 3.43Å; I297-R303 WeakPolarHBondContact O-CG 3.43Å; M298-R303 WeakPolarHBondContact O-CD 3.36Å; D299-R303 WeakPolarHBondContact O-CB 3.39Å; D299-R303 WeakPolarHBondContact O-CD 3.27Å; D299-R303 WeakPolarHBondContact O-CG 3.02Å; D299-R303 PolarHBondContact O-N 3.45Å; R303-K305 PolarHBondContact O-N 3.4Å; R303-L306 PolarHBondContact O-N 3.35Å; R303-L307 WeakPolarHBondContact O-CB 3.5Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.26Å; R303-L307 PolarHBondContact O-N 3.2Å
304A94.9Very high93.3Very high48 Ų4861.3 Ų61.340%0.39732%0.319SS..Hα-helixtrans-62.1-43.5178.300000112.4P300 Q301 H302 T308P300-A304 WeakPolarHBondContact O-CB 3.24Å; P300-A304 PolarHBondContact O-N 2.85Å; P300-A304 VanDerWaalsContact O-N 3.13Å; Q301-A304 PolarHBondContact O-N 3.24Å; H302-A304 PolarHBondContact O-N 3.05Å; A304-T308 VanDerWaalsContact O-CB 3.23Å; A304-T308 WeakPolarHBondContact O-CB 3.5Å; A304-T308 PolarHBondContact O-N 3.45Å; A304-T308 PolarHBondContact O-OG1 3.14Å
305K95.5Very high92.9Very high81 Ų8158.9 Ų58.935%0.35231%0.311SS..Hα-helixtrans-60-49.9175.1-78.4175.4174.1-167.70112I264 G265 L266 Q301 H302 R303 T308 A309I264-K305 WeakPolarHBondContact O-CD 3.48Å; I264-K305 WeakPolarHBondContact O-CE 3.47Å; I264-K305 PolarHBondContact O-NZ 3.21Å; G265-K305 PolarHBondContact O-NZ 3Å; L266-K305 HydrophobicContact CD1-CB 3.72Å; L266-K305 HydrophobicContact CD1-CD 3.82Å; L266-K305 HydrophobicContact CD1-CG 4.48Å; L266-K305 HydrophobicContact CD2-CD 4.04Å; L266-K305 HydrophobicContact CG-CD 3.88Å; Q301-K305 WeakPolarHBondContact O-CB 3.31Å; Q301-K305 WeakPolarHBondContact O-CG 3.43Å; Q301-K305 PolarHBondContact O-N 3.03Å; H302-K305 PolarHBondContact O-N 3.05Å; R303-K305 PolarHBondContact O-N 3.4Å; K305-T308 PolarHBondContact O-N 3.08Å; K305-A309 VanDerWaalsContact O-CB 3.3Å; K305-A309 WeakPolarHBondContact O-CB 3.09Å; K305-A309 PolarHBondContact O-N 2.89Å
306L95.1Very high92.4Very high0 Ų062.4 Ų62.40%032%0.324CS..Hα-helixtrans-64.4-47.1-177.4-69.8167.6000111.8I264 L266 L273 F284 L287 L292 I297 H302 R303 T308 A309 A310I264-L306 HydrophobicContact CD1-CD2 3.95Å; L266-L306 HydrophobicContact CD1-CD1 4.17Å; L266-L306 HydrophobicContact CD1-CD2 3.79Å; L266-L306 HydrophobicContact CD1-CG 3.59Å; L273-L306 HydrophobicContact CD1-CD2 4.46Å; F284-L306 HydrophobicContact CE2-CD2 3.85Å; F284-L306 HydrophobicContact CZ-CD2 3.71Å; L287-L306 HydrophobicContact CD2-CB 3.92Å; L292-L306 HydrophobicContact CD1-CB 4.37Å; L292-L306 HydrophobicContact CD2-CB 4.21Å; L292-L306 HydrophobicContact CD2-CD1 3.5Å; L292-L306 VanDerWaalsContact CD2-CD1 3.5Å; L292-L306 HydrophobicContact CD2-CG 4.47Å; I297-L306 HydrophobicContact CD1-CD1 4Å; I297-L306 HydrophobicContact CG2-CD1 4.13Å; H302-L306 WeakPolarHBondContact O-CB 3.17Å; H302-L306 VanDerWaalsContact O-CG 3.28Å; H302-L306 WeakPolarHBondContact O-CG 3.28Å; H302-L306 PolarHBondContact O-N 3.15Å; R303-L306 PolarHBondContact O-N 3.35Å; L306-T308 PolarHBondContact O-N 3.21Å; L306-A309 WeakPolarHBondContact O-CB 3.47Å; L306-A309 PolarHBondContact O-N 2.99Å; L306-A310 PolarHBondContact O-N 2.94Å
307L94.7Very high91.4Very high49 Ų4958.8 Ų58.826%0.25731%0.305SS..Hα-helixtrans-64.2-40.3177-65.4171.5000112L287 E289 L292 R303 A309 A310 E311L287-L307 WeakPolarHBondContact O-CD2 3.42Å; E289-L307 HydrophobicContact CB-CD1 4.2Å; E289-L307 HydrophobicContact CG-CD1 4.49Å; L292-L307 HydrophobicContact CD1-CD1 4.11Å; L292-L307 HydrophobicContact CD1-CD2 3.79Å; L292-L307 HydrophobicContact CD1-CG 3.66Å; R303-L307 WeakPolarHBondContact O-CB 3.5Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.26Å; R303-L307 PolarHBondContact O-N 3.2Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.3Å; L307-A310 PolarHBondContact O-N 3.13Å; L307-E311 WeakPolarHBondContact O-CB 3.01Å; L307-E311 PolarHBondContact O-N 2.81Å
308T94.8Very high90.1Very high65 Ų6563 Ų6340%0.39933%0.331SS..Hα-helixtrans-66.3-36.2175.6-54.80000111.4A304 K305 L306 L312A304-T308 VanDerWaalsContact O-CB 3.23Å; A304-T308 WeakPolarHBondContact O-CB 3.5Å; A304-T308 PolarHBondContact O-N 3.45Å; A304-T308 PolarHBondContact O-OG1 3.14Å; K305-T308 PolarHBondContact O-N 3.08Å; L306-T308 PolarHBondContact O-N 3.21Å; T308-L312 HydrophobicContact CG2-CD1 4.21Å; T308-L312 WeakPolarHBondContact O-CB 3.44Å; T308-L312 VanDerWaalsContact O-CG 3.24Å; T308-L312 WeakPolarHBondContact O-CG 3.24Å; T308-L312 PolarHBondContact O-N 2.77Å
309A93.9Very high88.3Confident7 Ų759.7 Ų59.76%0.05832%0.322CS..Hα-helixtrans-66.1-41.4175.700000112.2L260 I264 F284 K305 L306 L307 L312 L313L260-A309 HydrophobicContact CD1-CB 4.12Å; L260-A309 HydrophobicContact CD2-CB 4.35Å; I264-A309 HydrophobicContact CD1-CB 4.26Å; I264-A309 HydrophobicContact CG2-CB 4.49Å; F284-A309 HydrophobicContact CE1-CB 3.93Å; F284-A309 HydrophobicContact CZ-CB 4.28Å; K305-A309 VanDerWaalsContact O-CB 3.3Å; K305-A309 WeakPolarHBondContact O-CB 3.09Å; K305-A309 PolarHBondContact O-N 2.89Å; L306-A309 WeakPolarHBondContact O-CB 3.47Å; L306-A309 PolarHBondContact O-N 2.99Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 3.3Å; A309-L312 PolarHBondContact O-N 3.36Å; A309-L313 WeakPolarHBondContact O-CG 3.29Å; A309-L313 PolarHBondContact O-N 2.9Å; A309-L313 VanDerWaalsContact O-N 3.13Å
310A93.8Very high86.2Confident4 Ų459.4 Ų59.43%0.03333%0.325CS..Hα-helixtrans-64.6-45.2174.400000111.8F284 L287 L306 L307 L312 L313 L314F284-A310 HydrophobicContact CD1-CB 4.27Å; F284-A310 HydrophobicContact CE1-CB 4.12Å; F284-A310 WeakPolarHBondContact O-CB 3.18Å; L287-A310 HydrophobicContact CB-CB 4.43Å; L306-A310 PolarHBondContact O-N 2.94Å; L307-A310 PolarHBondContact O-N 3.13Å; A310-L312 VanDerWaalsContact C-N 3.32Å; A310-L312 PolarHBondContact O-N 3.41Å; A310-L313 PolarHBondContact O-N 3.5Å; A310-L313 VanDerWaalsContact O-N 3.11Å; A310-L314 PolarHBondContact O-N 2.96Å
311E92.1Very high84Confident86 Ų8661.9 Ų61.940%0.40233%0.329SS..Hα-helixtrans-58.2-42.9174.9-170-176.7154.500111.9R244 L307 L313 L314 D315R244-E311 IonicContact CZ-OE1 3.86Å; R244-E311 IonicContact CZ-OE2 3.25Å; R244-E311 IonicContact NH2-OE1 3.41Å; R244-E311 PolarHBondContact NH2-OE1 2.79Å; R244-E311 IonicContact NH2-OE2 3.38Å; R244-E311 PolarHBondContact NH2-OE2 2.81Å; L307-E311 WeakPolarHBondContact O-CB 3.01Å; L307-E311 PolarHBondContact O-N 2.81Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.47Å; E311-L314 PolarHBondContact O-N 2.74Å; E311-D315 PolarHBondContact O-N 3.36Å
312L91Very high81.7Confident91 Ų9164.1 Ų64.148%0.47634%0.339SS..Hα-helixtrans-65.7-30.4176.5-74.6170.7000113.4T308 A309 A310 Y316T308-L312 HydrophobicContact CG2-CD1 4.21Å; T308-L312 WeakPolarHBondContact O-CB 3.44Å; T308-L312 VanDerWaalsContact O-CG 3.24Å; T308-L312 WeakPolarHBondContact O-CG 3.24Å; T308-L312 PolarHBondContact O-N 2.77Å; A309-L312 PolarHBondContact O-N 3.36Å; A310-L312 VanDerWaalsContact C-N 3.32Å; A310-L312 PolarHBondContact O-N 3.41Å; L312-Y316 WeakPolarHBondContact O-CD2 3.21Å
313L89.6Confident79.5Confident3 Ų365.5 Ų65.52%0.01636%0.359CS..Hα-helixtrans-69.4-37.3175.3-74.4172.5000112.1K253 P254 L260 L281 F284 K285 A309 A310 E311 Y316K253-L313 HydrophobicContact CG-CD2 4.45Å; P254-L313 HydrophobicContact CG-CD2 4.35Å; L260-L313 HydrophobicContact CD2-CD1 3.89Å; L281-L313 HydrophobicContact CB-CD1 4.5Å; L281-L313 HydrophobicContact CD2-CD1 4.12Å; F284-L313 HydrophobicContact CD1-CD1 3.77Å; F284-L313 HydrophobicContact CE1-CD1 4.45Å; K285-L313 HydrophobicContact CG-CB 3.81Å; K285-L313 HydrophobicContact CG-CD1 4.27Å; A309-L313 WeakPolarHBondContact O-CG 3.29Å; A309-L313 PolarHBondContact O-N 2.9Å; A309-L313 VanDerWaalsContact O-N 3.13Å; A310-L313 PolarHBondContact O-N 3.5Å; A310-L313 VanDerWaalsContact O-N 3.11Å; E311-L313 VanDerWaalsContact C-N 3.32Å; E311-L313 PolarHBondContact O-N 3.47Å; L313-Y316 PolarHBondContact O-N 3.4Å
314L87.6Confident77.2Confident85 Ų8569.8 Ų69.845%0.44538%0.381SS..Hα-helixtrans-63.5-42.8174.7-65.9168.3000111.3K285 A310 E311 Y316 D317 T318K285-L314 HydrophobicContact CB-CD2 4.03Å; K285-L314 HydrophobicContact CB-CG 4.42Å; K285-L314 HydrophobicContact CD-CD2 4.13Å; K285-L314 HydrophobicContact CG-CD2 4.25Å; A310-L314 PolarHBondContact O-N 2.96Å; E311-L314 PolarHBondContact O-N 2.74Å; L314-Y316 PolarHBondContact O-N 2.9Å; L314-Y316 VanDerWaalsContact O-N 3.14Å; L314-D317 PolarHBondContact O-N 3.49Å; L314-D317 VanDerWaalsContact O-N 3.09Å; L314-T318 PolarHBondContact O-N 3.44Å
315D84.4Confident74.7Confident92 Ų9277.3 Ų77.349%0.49241%0.407SS..Hα-helixtrans-58.1-24.8176.2-90-3.5000113.7E311 G319E311-D315 PolarHBondContact O-N 3.36Å; D315-G319 PolarHBondContact O-N 3.44Å
316Y81.4Confident72.1Confident87 Ų8777 Ų7734%0.34143%0.427SS..Hα-helixtrans-78-30.7176.3-79.7-72000113.4R251 K253 L312 L313 L314 S320R251-Y316 PolarHBondContact O-OH 3.12Å; R251-Y316 VanDerWaalsContact O-OH 3.08Å; K253-Y316 HydrophobicContact CD-CG 4.41Å; K253-Y316 HydrophobicContact CG-CD2 4.38Å; K253-Y316 HydrophobicContact CG-CG 4.35Å; L312-Y316 WeakPolarHBondContact O-CD2 3.21Å; L313-Y316 PolarHBondContact O-N 3.4Å; L314-Y316 PolarHBondContact O-N 2.9Å; L314-Y316 VanDerWaalsContact O-N 3.14Å; Y316-S320 WeakPolarHBondContact O-CB 3.12Å; Y316-S320 PolarHBondContact O-N 3.39Å
317D71.1Confident69.4Low54 Ų5480.8 Ų80.829%0.28946%0.458SS..Hα-helixtrans-77.1-51.5179.7-63.9-23.6000109.6K253 K285 L314 G319 S320 E321K253-D317 IonicContact NZ-OD1 3.74Å; K253-D317 PolarHBondContact NZ-OD1 3.43Å; K285-D317 VanDerWaalsContact CE-OD2 3.3Å; K285-D317 WeakPolarHBondContact CE-OD2 3.46Å; K285-D317 IonicContact NZ-OD2 3.93Å; K285-D317 PolarHBondContact NZ-OD2 2.96Å; L314-D317 PolarHBondContact O-N 3.49Å; L314-D317 VanDerWaalsContact O-N 3.09Å; D317-G319 PolarHBondContact O-N 3.41Å; D317-G319 VanDerWaalsContact O-N 3.13Å; D317-S320 PolarHBondContact O-N 3.02Å; D317-E321 PolarHBondContact O-N 3.09Å
318T66.6Low66.7Low94 Ų9488.2 Ų88.258%0.57749%0.492SS*.THydrogen-bonded Turntrans-64.3-19.2175.8-49.80000113.5L314 E321L314-T318 PolarHBondContact O-N 3.44Å; T318-E321 WeakPolarHBondContact CA-OE1 3.15Å
319G54.1Low63.7Low28 Ų2890.5 Ų90.529%0.28951%0.511SS..THydrogen-bonded Turntrans-88.8-8.117300000115.3D315 D317D315-G319 PolarHBondContact O-N 3.44Å; D317-G319 PolarHBondContact O-N 3.41Å; D317-G319 VanDerWaalsContact O-N 3.13Å
320S51.1Low61.2Low60 Ų6095.2 Ų95.242%0.4254%0.543SS..THydrogen-bonded Turntrans-99.3-28.5-177.2-165.60000112.8Y316 D317 E322 A323Y316-S320 WeakPolarHBondContact O-CB 3.12Å; Y316-S320 PolarHBondContact O-N 3.39Å; D317-S320 PolarHBondContact O-N 3.02Å; S320-E322 VanDerWaalsContact C-N 3.27Å; S320-E322 PolarHBondContact O-N 3.19Å; S320-A323 PolarHBondContact O-N 3.44Å; S320-A323 VanDerWaalsContact O-N 3.16Å
321E46.7Very low58.4Low141 Ų141104.3 Ų104.366%0.65959%0.585SS**THydrogen-bonded Turntrans-68.7-20.3-178.451.2-174117.900113.9D317 T318 A323D317-E321 PolarHBondContact O-N 3.09Å; T318-E321 WeakPolarHBondContact CA-OE1 3.15Å; E321-A323 VanDerWaalsContact C-N 3.33Å
322E46.4Very low55.5Low179 Ų179109.2 Ų109.284%0.83661%0.608SS**THydrogen-bonded Turntrans-82.5-2.1172.7-62.9-175.1158.400114.1S320S320-E322 VanDerWaalsContact C-N 3.27Å; S320-E322 PolarHBondContact O-N 3.19Å
323A48.7Very low53.4Low74 Ų74110 Ų11061%0.61262%0.618SS**THydrogen-bonded Turntrans-120.9-8.9-170.500000115.6S320 E321S320-A323 PolarHBondContact O-N 3.44Å; S320-A323 VanDerWaalsContact O-N 3.16Å; E321-A323 VanDerWaalsContact C-N 3.33Å
324E47.5Very low50.7Low138 Ų138116.3 Ų116.365%0.64566%0.657SS**  trans-117.716.6-169.2-70.8-71.6168.700114.6G326E324-G326 VanDerWaalsContact C-N 3.32Å; E324-G326 PolarHBondContact O-N 3.45Å
325E43.2Very low48Very low205 Ų205116.4 Ų116.496%0.95867%0.665SS**SBendtrans-88.772158-74.9-149.1159.100110.1
326G40.9Very low45.5Very low75 Ų75120 Ų12077%0.77368%0.678SS**SBendtrans-176.718.2-17700000117.4E324E324-G326 VanDerWaalsContact C-N 3.32Å; E324-G326 PolarHBondContact O-N 3.45Å
327A38.8Very low43.1Very low79 Ų79122.1 Ų122.165%0.65370%0.7SS**  trans-148.455.8-178.400000113.7S329A327-S329 PolarHBondContact O-N 3.35Å; A327-S329 VanDerWaalsContact O-N 3.14Å
328E36.2Very low41.4Very low205 Ų205127.1 Ų127.196%0.95873%0.726SS**  trans-69.3103.5160.459.1179.9118.400110.4
329S32.4Very low39.8Very low113 Ų113127.5 Ų127.579%0.7973%0.732SS**  trans-161.4112.6150.1-1780000110.9A327A327-S329 PolarHBondContact O-N 3.35Å; A327-S329 VanDerWaalsContact O-N 3.14Å
330S42Very low38.9Very low106 Ų106133.3 Ų133.374%0.74176%0.757SS**  trans-44.2148.7168.3-40.90000114.7
331Q34.1Very low39Very low196 Ų196135.5 Ų135.592%0.91677%0.77SS**  -167.8117.9123.7-107.2165.511.300113.2
332E32.6Very low38.9Very low189 Ų189138.1 Ų138.188%0.88378%0.779SS**  trans-93.8155.3149-78.7-116117.800108.9
333P45.5Very low38.9Very low106 Ų106135.4 Ų135.469%0.68877%0.774SS**  trans-99.3139.6-172.536.1-31.7000113.8
334V33.7Very low38.5Very low137 Ų137138.9 Ų138.983%0.8378%0.783SS**  trans-171.9119.5132.4-95.40000113.6
335S30.5Very low38.8Very low87 Ų87139.6 Ų139.661%0.60879%0.789SS**  60.3130.8127.2-440000124.4
336H32.4Very low39.4Very low168 Ų168135.4 Ų135.478%0.77878%0.78SS**  trans110.3112.3142.9-54.5-60.2000121.1
337T31.6Very low40.3Very low130 Ų130142.6 Ų142.680%0.79878%0.784SS**  trans81.9117.6138.251.40000124.5
338L34.5Very low40.3Very low160 Ų160146 Ų14684%0.83879%0.791SS**  trans93.8116135.8-125.984.2000123.3
339S32.9Very low41.2Very low101 Ų101141.1 Ų141.171%0.70678%0.779SS**  trans65.8113.5140.853.50000124.3
340D36.3Very low41.8Very low150 Ų150139.4 Ų139.480%0.80278%0.78SS**  trans-15.4166.7134.4-86.4-89.2000119.8
341P51.3Low42Very low106 Ų106139.4 Ų139.469%0.68878%0.778SS**  cis-142166.2-45.237.4-18.4000114.8
342K46.2Very low42.4Very low197 Ų197139.7 Ų139.786%0.85778%0.777SS**  trans42.7132.5147.6-161139.6-179.3171.70122
343V46.4Very low42.8Very low121 Ų121138.4 Ų138.473%0.73377%0.771SS**  trans92.3108.7166.2-169.20000115.6
344D39.6Very low42.4Very low148 Ų148137 Ų13779%0.79178%0.776SS**  -163.5148.6110.1-125-50.4000112.2
345I52.9Low42.9Very low152 Ų152135.9 Ų135.978%0.77977%0.774SS**  trans-131.7118.5175.4-63.4171.2000109
346P57.6Low43.6Very low117 Ų117141 Ų14176%0.7679%0.788SS**  trans-114.590158.133.5-21.3000110.7D348P346-D348 PolarHBondContact O-N 2.96Å
347R57.9Low43.8Very low227 Ų227138.8 Ų138.886%0.85779%0.791SS**  13.4105.1128.4-171.4-169.1-152.1115.7-0.3115.8
348D40.6Very low44.1Very low151 Ų151136 Ų13681%0.80779%0.788SS**  trans-134.4138.5139.2-16614000109.8P346P346-D348 PolarHBondContact O-N 2.96Å
349S53.1Low44.3Very low101 Ų101140.1 Ų140.171%0.70679%0.793SS**  trans-130.975.3-175.6-62.10000108C351S349-C351 PolarHBondContact O-N 3.25Å
350G46.1Very low44.7Very low78 Ų78142.7 Ų142.780%0.80480%0.799SS**  trans-69.875.1178.400000112.6
351C45.7Very low44.8Very low106 Ų106144.7 Ų144.772%0.71680%0.803SS**  trans-73131.8158.1-1740000108.6S349S349-C351 PolarHBondContact O-N 3.25Å
352F42.4Very low44.3Very low201 Ų201143.2 Ų143.288%0.88280%0.8SS**  trans-129.2128.9157.8-156.2-93.5000110.3
353E40.4Very low43.8Very low163 Ų163140.9 Ų140.976%0.76280%0.797SS**  trans-101.6136.7-172.9-165.9173.2116.200108.3
354G37.9Very low43.4Very low76 Ų76142.3 Ų142.378%0.78480%0.8SS**  trans-163.885.3-171.800000112.5
355S43.9Very low43.1Very low113 Ų113140.2 Ų140.279%0.7980%0.803SS**  trans-64.2144.7-168.5-42.10000116.4
356E45Very low42.1Very low195 Ų195136.2 Ų136.291%0.91180%0.799SS**  -145.1169.3128.269.3178.9164.700111.4
357S37.7Very low41.3Very low121 Ų121136.3 Ų136.385%0.84680%0.798SS**  trans-141.9145.2-144.457.40000116.1
358G36.7Very low40.3Very low71 Ų71133.4 Ų133.473%0.73279%0.794SS**  trans125.497.8167.200000111.5
359R40.1Very low40.3Very low248 Ų248133.5 Ų133.594%0.93679%0.789SS**  63.5119.469.2-73.4-163.7174.5-166.9-1115.3
360D40.1Very low39.7Very low155 Ų155135.3 Ų135.383%0.82979%0.787SS**  trans-61154.6173.9-42.7-117.2000113.9
361E38.3Very low39.4Very low191 Ų191137.7 Ų137.789%0.89378%0.781SS**  -178.1178.6112-109.1-111.865.900112.4
362A40.6Very low39.2Very low76 Ų76141.1 Ų141.163%0.62879%0.786SS**  trans-114.6166.9-157.700000117.2
363D36.1Very low39Very low148 Ų148134.5 Ų134.579%0.79177%0.774SS**  trans73.7161143.4-130.2-72.2000122.6
364L37.7Very low39.1Very low150 Ų150135.1 Ų135.179%0.78578%0.782SS**  trans79.3118.3165-58.4175.5000122
365A33.9Very low39.2Very low104 Ų104136.6 Ų136.686%0.8678%0.78SS**  trans49.8145.3141.600000121
366G32.1Very low39.2Very low68 Ų68138.6 Ų138.670%0.70178%0.781SS**  cis129.8976.600000111.8
367T41.7Very low39.1Very low120 Ų120134.1 Ų134.174%0.73678%0.778SS**  trans-178.6110.9166.742.80000105.1
368E37.3Very low39.2Very low166 Ų166132 Ų13278%0.77678%0.775SS**  75.9138.867.196.6-172.194.700115.1
369E40.5Very low39.3Very low152 Ų152133.2 Ų133.271%0.7178%0.778SS**  trans64.6150172-73.5-146.763.900119.5
370Q38.8Very low40.2Very low140 Ų140131 Ų13165%0.65480%0.796SS**  cis-170.9159.1-21.4-169.6108.3-82.800108.5
371L40.8Very low40.2Very low128 Ų128129.8 Ų129.867%0.6779%0.794SS**  trans87.4123.8154.7-54.6-178.7000123.1
372Q42.2Very low40.3Very low177 Ų177126.6 Ų126.683%0.82779%0.789SS**  trans69.8140.2135.3-62.5160.518.900119.2
373G37.1Very low40.3Very low62 Ų62129.4 Ų129.464%0.63980%0.798SS**  cis137.4117.1-5.500000113.2
374L43.5Very low40.6Very low177 Ų177128.3 Ų128.393%0.92780%0.798SS**  trans68.8158.6173.7-39.7175.6000113.7
375S39.4Very low40.7Very low107 Ų107126.9 Ų126.975%0.74880%0.799SS**  cis-154.7175.93.4-152.40000113.4
376L44.5Very low41.2Very low154 Ų154128.5 Ų128.581%0.80680%0.795SS**  trans-35.9146.1171.7-96.370.8000120.3
377A42.4Very low41.8Very low102 Ų102132.8 Ų132.884%0.84380%0.802SS**  69.6154.112500000122.6
378G40.2Very low41.9Very low75 Ų75133.8 Ų133.877%0.77381%0.807SS**  trans125.598.9156.900000114.6
379A37.6Very low42.2Very low97 Ų97131.1 Ų131.180%0.80281%0.809SS**  trans-75163.7160.200000110.6
380P59.9Low42.4Very low202 Ų202129.2 Ų129.2100%1.31282%0.818SS**  -1120121.133.1-33.8000112.7

Retrieved 380 of 380 residues in 106.8 ms (Link to these results)