A0A5K4F4D8_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4D8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.7Low53.3Low243 Ų243160.4 Ų160.4100%1.19788%0.884SS**  0129.90-76.9-179.5154.700108.8V3M1-V3 PolarHBondContact O-N 3.41Å
2K52.4Low53.1Low213 Ų213156.4 Ų156.493%0.92688%0.876SS**  trans-66.3120.2-166.8-86.5171.2171171.20112.6
3V45.6Very low52.7Low140 Ų140156.4 Ų156.485%0.84887%0.87SS**  trans-80.1120170.6-1790000108.6M1M1-V3 PolarHBondContact O-N 3.41Å
4K59.5Low52.3Low201 Ų201153.8 Ų153.887%0.87487%0.866SS**  trans-98.8112.6170.1-78.9-176.3176.6178.70109
5S50Low51.8Low115 Ų115158.9 Ų158.980%0.80487%0.867SS**PPolyproline II helixtrans-75.5124169.954.70000110.9
6S63.8Low51.7Low122 Ų122160.5 Ų160.585%0.85386%0.862SS**PPolyproline II helixtrans-93.1135.4169.950.10000111
7K65.6Low51.1Low196 Ų196163.3 Ų163.385%0.85287%0.865SS**PPolyproline II helixtrans-79.2154.3-175.9-65.5172.2177.6177.50111.9
8P48.3Very low50.5Low119 Ų119164.5 Ų164.577%0.77386%0.862SS**PPolyproline II helixtrans-83.8141.2172.733.8-30.4000111.5T10P8-T10 PolarHBondContact O-N 3.1Å
9L51.1Low50.2Low180 Ų180161.3 Ų161.394%0.94286%0.855SS**  trans-77.2112173.9-72.7165.8000110.2
10T49.4Very low49.8Very low135 Ų135164.3 Ų164.383%0.82886%0.86SS**  trans-80.5111.5166.7480000109.6P8P8-T10 PolarHBondContact O-N 3.1Å
11A49.2Very low49.4Very low100 Ų100161.4 Ų161.483%0.82685%0.854SS**  trans-78.2125.9171.700000110.5
12S50.3Low49.1Very low113 Ų113159 Ų15979%0.7984%0.836SS**  trans-74.4128.7179.652.10000111.8C14S12-C14 PolarHBondContact O-N 3.45Å
13I48.3Very low48.9Very low156 Ų156158.9 Ų158.980%0.884%0.836SS**  trans-78.9100.3173.4-66168.7000108.1R15I13-R15 PolarHBondContact O-N 3.12Å
14C47.1Very low49Very low120 Ų120160 Ų16081%0.81183%0.832SS**  trans-85.9101.2176.3-144.60000110S12 K16S12-C14 PolarHBondContact O-N 3.45Å; C14-K16 PolarHBondContact O-N 3.35Å; C14-K16 VanDerWaalsContact O-N 3.13Å
15R44.8Very low48.6Very low231 Ų231155.9 Ų155.987%0.87282%0.819SS**  trans-7294.7172.6-75.7-178.8178.3-178.50.1110.1I13 K17I13-R15 PolarHBondContact O-N 3.12Å; R15-K17 PolarHBondContact O-N 3.48Å
16K49.8Very low48.7Very low184 Ų184159.2 Ų159.280%0.882%0.819SS**  trans-81.6107.1165.8-108.1175.8-179.8172.90110.1C14 F18C14-K16 PolarHBondContact O-N 3.35Å; C14-K16 VanDerWaalsContact O-N 3.13Å; K16-F18 PolarHBondContact O-N 3.42Å
17K42Very low48.1Very low208 Ų208158 Ų15890%0.90481%0.807SS**  trans-62.7120.1161.5-68.8-176.2177.9177.50108R15R15-K17 PolarHBondContact O-N 3.48Å
18F40.9Very low47.5Very low185 Ų185155.9 Ų155.981%0.81180%0.798SS**  trans-120127.5166.3-117.3-88.4000109.8K16K16-F18 PolarHBondContact O-N 3.42Å
19S44.6Very low47.6Very low104 Ų104160.3 Ų160.373%0.72780%0.799SS**  trans-71.4149.1-167.863.70000112.8S21S19-S21 PolarHBondContact O-N 2.7Å; S19-S21 VanDerWaalsContact O-N 3.14Å
20K41.3Very low47.6Very low220 Ų220157.8 Ų157.896%0.95779%0.786SS**SBendtrans-70.395.4172.1-69.1174.8176.8172.80109.5
21S41.3Very low47.8Very low105 Ų105157.9 Ų157.973%0.73478%0.777SS**  trans-162.392.6159.8-171.80000110.5S19S19-S21 PolarHBondContact O-N 2.7Å; S19-S21 VanDerWaalsContact O-N 3.14Å
22K45.3Very low48Very low191 Ų191161.1 Ų161.183%0.8377%0.772SS**  trans179.665.6162.7-105.5170.8-176.11780110
23K47.8Very low48Very low211 Ų211161.8 Ų161.892%0.91777%0.766SS**SBendtrans-111.6-1.1170.4-91.6-171.3177.8179.60114.4
24H48.3Very low48.1Very low163 Ų163160.9 Ų160.976%0.75576%0.762SS**SBendtrans-105.10.1-173.2-123.9-50.8000116.7
25D50.6Low48.4Very low115 Ų115162.7 Ų162.762%0.61576%0.759SS**SBendtrans-111.4-7.1-166.8-138.51000115.1
26K52.1Low48.7Very low185 Ų185155.9 Ų155.980%0.80475%0.747SS**Hα-helixtrans-85.7-17.8178.8-81.5-175.2175.4-179.30114
27T52Low48.7Very low97 Ų97156.1 Ų156.160%0.59575%0.748SS**Hα-helixtrans-88.2-26.9-17930.70000113.5
28K52.4Low49Very low152 Ų152150.8 Ų150.866%0.66174%0.743SS**Hα-helixtrans-76.9-27.8174.9-74.9-174.1175.5-177.20113.4K32K28-K32 PolarHBondContact O-N 3.2Å
29R51.9Low48.8Very low212 Ų212144.6 Ų144.680%0.873%0.731SS**Hα-helixtrans-77.3-23.5179.3-142.7172.9-174.3178.81.2113.6
30L51.1Low48.6Very low126 Ų126148.5 Ų148.566%0.6674%0.742SS**Hα-helixtrans-82.6-27.7173.9-108.4116.6000113.3
31Q52.3Low48.5Very low138 Ų138143.6 Ų143.665%0.64574%0.736SS**Hα-helixtrans-74.6-32.7174.5-119.1173.4-2.700112.3
32K54.3Low48.3Very low167 Ų167147.5 Ų147.573%0.72674%0.739SS**Hα-helixtrans-76.7-20.4178.1-146.8171-173.6178.90113.7K28K28-K32 PolarHBondContact O-N 3.2Å
33L50.4Low47.8Very low127 Ų127145.5 Ų145.567%0.66574%0.738SS**Hα-helixtrans-86.8-15.8177.2-139.685.6000113.5
34L50.5Low47.6Very low138 Ų138144.2 Ų144.272%0.72374%0.735SS**Hα-helixtrans-91.6-15.1176.9-74.6166.5000112.9
35Q53.1Low47Very low157 Ų157144.4 Ų144.473%0.73474%0.742SS**SBendtrans-93.7-14.1176.2-71.6175.6-9.300113.5
36S51.5Low46.4Very low89 Ų89146.7 Ų146.762%0.62275%0.749SS**THydrogen-bonded Turntrans-96.811.6-177.6690000114.7
37K49.7Very low45.4Very low189 Ų189144.4 Ų144.482%0.82275%0.751SS**THydrogen-bonded Turntrans-119.413.6178.4-94.1-169.6174.9-171.60114.2
38A47.2Very low45Very low96 Ų96146.4 Ų146.479%0.79376%0.756SS**  trans-100.822.8-178.200000114.2
39G36.8Very low44.1Very low54 Ų54147.4 Ų147.456%0.55776%0.763SS**  trans-110.4134.9174.100000110.7
40L40.4Very low43.5Very low186 Ų186143.7 Ų143.797%0.97476%0.764SS**  trans77.1120.8-175.5-58.192.8000113
41S40Very low43Very low117 Ų117144 Ų14482%0.81877%0.766SS**  cis-142.4152.525.957.60000112.7
42K37Very low42.4Very low187 Ų187142.4 Ų142.481%0.81378%0.776SS**  trans-79.8156.2163.8-69.6175.3175.2177.60109.5
43N35.5Very low41.8Very low150 Ų150143.3 Ų143.380%0.80278%0.78SS**  trans89.999.3166-52.5-17.6000115.7
44Q43.5Very low41.3Very low183 Ų183142.1 Ų142.186%0.85578%0.781SS**  -171.7119.5111.7-95.3169.913.300108.9E46Q44-E46 PolarHBondContact O-N 3.33Å
45N34Very low40.9Very low167 Ų167142.7 Ų142.789%0.89379%0.791SS**  trans-73.3106.4171.5-77-21.8000108.1
46E38.2Very low41.1Very low164 Ų164142.1 Ų142.177%0.76679%0.788SS**  trans-126.3106.3158-80.9-171.816500109Q44 I48Q44-E46 PolarHBondContact O-N 3.33Å; E46-I48 PolarHBondContact O-N 3.2Å
47T32.8Very low41.6Very low137 Ų137147.4 Ų147.484%0.8480%0.8SS**  trans-58.695.3171-56.60000109.5
48I42.3Very low42.5Very low138 Ų138141.9 Ų141.971%0.70878%0.779SS**  trans-98.7107.8164.4-62.1178.2000107.1E46 V50E46-I48 PolarHBondContact O-N 3.2Å; I48-V50 PolarHBondContact O-N 2.81Å
49Q33.6Very low44Very low173 Ų173141.2 Ų141.281%0.80877%0.765SS**  trans-51.1117.3169-68.2178.7400109.2
50V40.4Very low46.1Very low134 Ų134148.1 Ų148.181%0.81278%0.78SS**  trans-106.3107.3167.9-168.90000106.5I48 A52I48-V50 PolarHBondContact O-N 2.81Å; V50-A52 PolarHBondContact O-N 3.45Å
51D39Very low48.1Very low133 Ų133143.6 Ų143.671%0.71176%0.764SS**  trans-45.9107.4176.9-74.2-62.8000112.2K53D51-K53 PolarHBondContact O-N 3.15Å
52A40.3Very low50.1Low104 Ų104142.7 Ų142.786%0.8675%0.747SS**  trans-73.380.4160.300000108.5V50V50-A52 PolarHBondContact O-N 3.45Å
53K42.7Very low52.3Low186 Ų186141.4 Ų141.481%0.80974%0.737SS**  trans-132.9129.9169.8-90.5-179178.6172.20112.4D51D51-K53 PolarHBondContact O-N 3.15Å
54C37.9Very low54.8Low102 Ų102141.1 Ų141.169%0.68973%0.729SS**  trans86.479.7163.4-130.20000117.8E56C54-E56 PolarHBondContact O-N 3.42Å
55T43.1Very low56.9Low150 Ų150141 Ų14192%0.9272%0.72SS**  trans-71.958.1151.744.50000110.7
56E58.2Low59.3Low146 Ų146138.1 Ų138.168%0.68270%0.701SS**  trans-77.3128.8172-126.6179.8173.800109.2C54 L58C54-E56 PolarHBondContact O-N 3.42Å; E56-L58 PolarHBondContact O-N 3.4Å
57K62Low61.7Low199 Ų199138.1 Ų138.187%0.86570%0.699SS**  trans-67.776.9178.7-69.9-174.8-179.7177.70110.1T59K57-T59 PolarHBondContact O-N 3.29Å
58L67.2Low64.3Low74 Ų74140.2 Ų140.239%0.38769%0.691SS.*  trans-56.3125.7175.8-72.3164.3000109.6E56 Q62 R63E56-L58 PolarHBondContact O-N 3.4Å; L58-Q62 HydrophobicContact CB-CB 4.2Å; L58-Q62 HydrophobicContact CD2-CB 3.73Å; L58-Q62 HydrophobicContact CD2-CG 4.32Å; L58-R63 HydrophobicContact CB-CG 3.77Å; L58-R63 PolarHBondContact O-NE 2.74Å; L58-R63 VanDerWaalsContact O-NE 3.08Å
59T78.3Confident66.6Low81 Ų81138.1 Ų138.150%0.49768%0.678SS.*  trans-56.9154.7173.855.70000110.7K57 S61 Q62 R63K57-T59 PolarHBondContact O-N 3.29Å; T59-S61 PolarHBondContact O-N 2.95Å; T59-Q62 PolarHBondContact O-N 3.33Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.38Å; T59-Q62 PolarHBondContact OG1-OE1 3.36Å; T59-R63 PolarHBondContact O-N 2.74Å; T59-R63 VanDerWaalsContact O-N 3.14Å
60K82.8Confident69.2Low199 Ų199134.9 Ų134.987%0.86566%0.663SS**Hα-helixtrans-51.2-32.8178.2-71.4-178.3178.9175.20112.2K64K60-K64 PolarHBondContact O-N 2.89Å
61S81.9Confident71.6Confident91 Ų91135.4 Ų135.464%0.63666%0.655SS**Hα-helixtrans-68.2-47.7176.2-173.80000113.1T59 R63 K64 R65T59-S61 PolarHBondContact O-N 2.95Å; S61-R63 PolarHBondContact O-N 3.07Å; S61-K64 WeakPolarHBondContact O-CB 3.29Å; S61-K64 PolarHBondContact O-N 2.87Å; S61-R65 PolarHBondContact O-N 3.18Å
62Q82.3Confident74Confident99 Ų99133.9 Ų133.946%0.46365%0.646SS.*Hα-helixtrans-65-40.5-179.5-71.4164.8-3600112L58 T59 K64 R65 H66L58-Q62 HydrophobicContact CB-CB 4.2Å; L58-Q62 HydrophobicContact CD2-CB 3.73Å; L58-Q62 HydrophobicContact CD2-CG 4.32Å; T59-Q62 PolarHBondContact O-N 3.33Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.38Å; T59-Q62 PolarHBondContact OG1-OE1 3.36Å; Q62-K64 VanDerWaalsContact C-N 3.3Å; Q62-K64 PolarHBondContact O-N 2.66Å; Q62-R65 PolarHBondContact O-N 2.91Å; Q62-R65 VanDerWaalsContact O-N 3.16Å; Q62-H66 PolarHBondContact O-N 3.01Å
63R82.5Confident76.3Confident159 Ų159135.9 Ų135.960%0.664%0.635SS**Hα-helixtrans-58.9-40.7173.8-64.9-177.1-173.8-163-5.4112L58 T59 S61 H66 K67L58-R63 HydrophobicContact CB-CG 3.77Å; L58-R63 PolarHBondContact O-NE 2.74Å; L58-R63 VanDerWaalsContact O-NE 3.08Å; T59-R63 PolarHBondContact O-N 2.74Å; T59-R63 VanDerWaalsContact O-N 3.14Å; S61-R63 PolarHBondContact O-N 3.07Å; R63-H66 PolarHBondContact O-N 2.75Å; R63-K67 WeakPolarHBondContact O-CB 3.31Å; R63-K67 PolarHBondContact O-N 2.84Å
64K87.1Confident78.5Confident145 Ų145133 Ų13363%0.6363%0.628SS**Hα-helixtrans-66.4-37.5177.1-168.1176-177.7177.80111.9K60 S61 Q62 R68K60-K64 PolarHBondContact O-N 2.89Å; S61-K64 WeakPolarHBondContact O-CB 3.29Å; S61-K64 PolarHBondContact O-N 2.87Å; Q62-K64 VanDerWaalsContact C-N 3.3Å; Q62-K64 PolarHBondContact O-N 2.66Å; K64-R68 PolarHBondContact O-N 3.37Å; K64-R68 VanDerWaalsContact O-N 3.14Å
65R88.6Confident80.8Confident179 Ų179135.7 Ų135.768%0.67562%0.623SS**Hα-helixtrans-67.1-46.3175.2-171177.1-178.5-178.50.2111.7S61 Q62 K67 R68 Q69S61-R65 PolarHBondContact O-N 3.18Å; Q62-R65 PolarHBondContact O-N 2.91Å; Q62-R65 VanDerWaalsContact O-N 3.16Å; R65-K67 PolarHBondContact O-N 2.95Å; R65-R68 WeakPolarHBondContact O-CB 3.42Å; R65-R68 PolarHBondContact O-N 3.28Å; R65-Q69 PolarHBondContact O-N 3.34Å
66H83.5Confident82.8Confident107 Ų107135.6 Ų135.650%0.49561%0.61SS.*Hα-helixtrans-59.6-47.9177.5-165.9-92.8000111.4Q62 R63 R68 Q69 E70Q62-H66 PolarHBondContact O-N 3.01Å; R63-H66 PolarHBondContact O-N 2.75Å; H66-R68 VanDerWaalsContact C-N 3.28Å; H66-R68 PolarHBondContact O-N 3.3Å; H66-Q69 PolarHBondContact O-N 2.92Å; H66-Q69 VanDerWaalsContact O-N 3.08Å; H66-E70 WeakPolarHBondContact O-CG 3.49Å; H66-E70 PolarHBondContact O-N 3.32Å
67K88.7Confident84.1Confident165 Ų165131.5 Ų131.572%0.71760%0.602SS**Hα-helixtrans-60.3-33.7176.4-167170.5-174.8171.60113.1R63 R65 K71R63-K67 WeakPolarHBondContact O-CB 3.31Å; R63-K67 PolarHBondContact O-N 2.84Å; R65-K67 PolarHBondContact O-N 2.95Å; K67-K71 WeakPolarHBondContact O-CB 3.15Å; K67-K71 PolarHBondContact O-N 3.32Å; K67-K71 VanDerWaalsContact O-N 3.16Å
68R88.6Confident85Confident181 Ų181124.5 Ų124.568%0.68358%0.581SS**Hα-helixtrans-69-42.5173.4-88.9-177.7161.2-175.1-4.9112.1K64 R65 H66 K71 L72K64-R68 PolarHBondContact O-N 3.37Å; K64-R68 VanDerWaalsContact O-N 3.14Å; R65-R68 WeakPolarHBondContact O-CB 3.42Å; R65-R68 PolarHBondContact O-N 3.28Å; H66-R68 VanDerWaalsContact C-N 3.28Å; H66-R68 PolarHBondContact O-N 3.3Å; R68-K71 PolarHBondContact O-N 3.17Å; R68-L72 PolarHBondContact O-N 3.48Å
69Q89.8Confident85.6Confident94 Ų94128.1 Ų128.144%0.43959%0.593SS.*Hα-helixtrans-65.3-44178.3-73.5-177.2-7.400111.9R65 H66 K71 L72 K73R65-Q69 PolarHBondContact O-N 3.34Å; H66-Q69 PolarHBondContact O-N 2.92Å; H66-Q69 VanDerWaalsContact O-N 3.08Å; Q69-K71 PolarHBondContact O-N 2.85Å; Q69-L72 WeakPolarHBondContact O-CB 3.42Å; Q69-L72 PolarHBondContact O-N 3.07Å; Q69-L72 VanDerWaalsContact O-N 3.16Å; Q69-K73 WeakPolarHBondContact O-CG 3.31Å; Q69-K73 PolarHBondContact O-N 3.08Å
70E88.7Confident85.5Confident104 Ų104128.4 Ų128.449%0.48660%0.604SS.*Hα-helixtrans-57.8-47.2173.7-71.8-116.6111.400112H66 L72 K73 L74H66-E70 WeakPolarHBondContact O-CG 3.49Å; H66-E70 PolarHBondContact O-N 3.32Å; E70-L72 VanDerWaalsContact C-N 3.27Å; E70-L72 PolarHBondContact O-N 2.83Å; E70-K73 PolarHBondContact O-N 2.64Å; E70-K73 VanDerWaalsContact O-N 3.16Å; E70-L74 WeakPolarHBondContact O-CG 3.4Å; E70-L74 PolarHBondContact O-N 3.45Å
71K90.7Very high85Confident146 Ų146123.2 Ų123.264%0.63559%0.593SS**Hα-helixtrans-62.3-34176.6-168.7174.2-177.4176.40112.5K67 R68 Q69 R75K67-K71 WeakPolarHBondContact O-CB 3.15Å; K67-K71 PolarHBondContact O-N 3.32Å; K67-K71 VanDerWaalsContact O-N 3.16Å; R68-K71 PolarHBondContact O-N 3.17Å; Q69-K71 PolarHBondContact O-N 2.85Å; K71-R75 WeakPolarHBondContact O-CB 3.04Å; K71-R75 WeakPolarHBondContact O-CG 3.24Å; K71-R75 PolarHBondContact O-N 3.44Å
72L88.7Confident84.3Confident101 Ų101124.1 Ų124.153%0.52959%0.589SS.*Hα-helixtrans-69.2-42.4173.8-97.8146.6000112R68 Q69 E70 R75 K76R68-L72 PolarHBondContact O-N 3.48Å; Q69-L72 WeakPolarHBondContact O-CB 3.42Å; Q69-L72 PolarHBondContact O-N 3.07Å; Q69-L72 VanDerWaalsContact O-N 3.16Å; E70-L72 VanDerWaalsContact C-N 3.27Å; E70-L72 PolarHBondContact O-N 2.83Å; L72-R75 PolarHBondContact O-N 3.43Å; L72-K76 WeakPolarHBondContact O-CG 3.16Å; L72-K76 PolarHBondContact O-N 2.97Å
73K89.8Confident83.3Confident146 Ų146124.9 Ų124.964%0.63560%0.603SS**Hα-helixtrans-60.7-46.9173.8-72-179.4179.6-178.50110.9Q69 E70 R75 K76 A77Q69-K73 WeakPolarHBondContact O-CG 3.31Å; Q69-K73 PolarHBondContact O-N 3.08Å; E70-K73 PolarHBondContact O-N 2.64Å; E70-K73 VanDerWaalsContact O-N 3.16Å; K73-R75 PolarHBondContact O-N 3.01Å; K73-K76 PolarHBondContact O-N 3.17Å; K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.91Å
74L87.3Confident82.3Confident125 Ų125126.6 Ų126.665%0.65461%0.614SS**Hα-helixtrans-61.1-39.8175-71.5171.6000112.7E70 A78E70-L74 WeakPolarHBondContact O-CG 3.4Å; E70-L74 PolarHBondContact O-N 3.45Å; L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.44Å; L74-A78 PolarHBondContact O-N 3.39Å
75R86.5Confident80.8Confident158 Ų158125 Ų12560%0.59662%0.619SS**Hα-helixtrans-68.4-35.7174.6-76.3-179.182.6-1777.1113K71 L72 K73 K79K71-R75 WeakPolarHBondContact O-CB 3.04Å; K71-R75 WeakPolarHBondContact O-CG 3.24Å; K71-R75 PolarHBondContact O-N 3.44Å; L72-R75 PolarHBondContact O-N 3.43Å; K73-R75 PolarHBondContact O-N 3.01Å; R75-K79 WeakPolarHBondContact O-CB 3.18Å; R75-K79 WeakPolarHBondContact O-CG 3.39Å; R75-K79 PolarHBondContact O-N 2.9Å
76K86.6Confident79.4Confident149 Ų149124.6 Ų124.665%0.64863%0.625SS**Hα-helixtrans-68.7-44.2174.9-76.7-175.6177.1-173.60110.9L72 K73 K79 A80L72-K76 WeakPolarHBondContact O-CG 3.16Å; L72-K76 PolarHBondContact O-N 2.97Å; K73-K76 PolarHBondContact O-N 3.17Å; K76-K79 PolarHBondContact O-N 2.69Å; K76-A80 WeakPolarHBondContact O-CB 3.18Å; K76-A80 PolarHBondContact O-N 2.94Å
77A84.8Confident78Confident60 Ų60125.4 Ų125.450%0.49664%0.64SS.*Hα-helixtrans-61.5-45.8174.800000111.7K73 K79 A80 S81K73-A77 WeakPolarHBondContact O-CB 3.47Å; K73-A77 PolarHBondContact O-N 2.91Å; A77-K79 VanDerWaalsContact C-N 3.29Å; A77-K79 PolarHBondContact O-N 3.06Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.13Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.15Å
78A81.3Confident76.5Confident52 Ų52127 Ų12743%0.4365%0.646SS.*Hα-helixtrans-63.9-31.9175.800000113L74 S81 I82L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.44Å; L74-A78 PolarHBondContact O-N 3.39Å; A78-S81 PolarHBondContact O-OG 2.85Å; A78-S81 VanDerWaalsContact O-OG 3.14Å; A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 3.49Å
79K79.6Confident74.9Confident150 Ų150125.5 Ų125.565%0.65265%0.647SS**Hα-helixtrans-73.7-33.8173-78.7-178.1176.2-168.70112.7R75 K76 A77R75-K79 WeakPolarHBondContact O-CB 3.18Å; R75-K79 WeakPolarHBondContact O-CG 3.39Å; R75-K79 PolarHBondContact O-N 2.9Å; K76-K79 PolarHBondContact O-N 2.69Å; A77-K79 VanDerWaalsContact C-N 3.29Å; A77-K79 PolarHBondContact O-N 3.06Å
80A75.9Confident73.3Confident86 Ų86125.7 Ų125.771%0.71166%0.657SS**Hα-helixtrans-72.6-29.6175.900000112.3K76 A77K76-A80 WeakPolarHBondContact O-CB 3.18Å; K76-A80 PolarHBondContact O-N 2.94Å; A77-A80 PolarHBondContact O-N 2.89Å; A77-A80 VanDerWaalsContact O-N 3.13Å
81S72.3Confident71.8Confident91 Ų91132.2 Ų132.264%0.63668%0.677SS**SBendtrans-83.3-6.7176.874.10000114.3A77 A78 P83A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.15Å; A78-S81 PolarHBondContact O-OG 2.85Å; A78-S81 VanDerWaalsContact O-OG 3.14Å; S81-P83 WeakPolarHBondContact O-CD 3.42Å
82I67.8Low70.5Confident109 Ų109128 Ų12856%0.55966%0.664SS**SBendtrans-75.1117.2170.4-68.2161.7000106.5A78 K84A78-I82 VanDerWaalsContact O-CG1 3.3Å; A78-I82 WeakPolarHBondContact O-CG1 3.33Å; A78-I82 PolarHBondContact O-N 3.49Å; I82-K84 PolarHBondContact O-N 2.88Å
83P60.7Low69.7Low115 Ų115124.8 Ų124.875%0.74765%0.65SS**PPolyproline II helixtrans-53.6120.9175.4-20.431000108.1S81 P85S81-P83 WeakPolarHBondContact O-CD 3.42Å; P83-P85 WeakPolarHBondContact O-CD 3.4Å; P83-P85 VanDerWaalsContact O-N 3.11Å
84K62.4Low68.9Low195 Ų195124 Ų12485%0.84866%0.663SS**PPolyproline II helixtrans-53.6123.9170.5-83.1177.4-179.7171.60106.1I82 E86I82-K84 PolarHBondContact O-N 2.88Å; K84-E86 PolarHBondContact O-N 3.22Å
85P55.4Low68.6Low113 Ų113119.3 Ų119.373%0.73464%0.64SS**PPolyproline II helixtrans-56.7123.517322-29.1000106.5P83P83-P85 WeakPolarHBondContact O-CD 3.4Å; P83-P85 VanDerWaalsContact O-N 3.11Å
86E58.1Low68.4Low170 Ų170112 Ų11279%0.79461%0.613SS**PPolyproline II helixtrans-49.8138175.1-70.1-165.215800108.5K84 K88K84-E86 PolarHBondContact O-N 3.22Å; E86-K88 VanDerWaalsContact C-N 3.32Å; E86-K88 PolarHBondContact O-N 3.44Å
87P54.7Low68.3Low124 Ų124109.1 Ų109.181%0.80561%0.608SS**  trans-59.6100.7176.922.6-29.2000107.8E89P87-E89 PolarHBondContact O-N 3.38Å; P87-E89 VanDerWaalsContact O-N 3.12Å
88K56.4Low68.2Low197 Ų197108.6 Ų108.686%0.85760%0.596SS**PPolyproline II helixtrans-56.7120.3172.7-68.7-177.2179.4-179.50106.4E86E86-K88 VanDerWaalsContact C-N 3.32Å; E86-K88 PolarHBondContact O-N 3.44Å
89E56Low68.2Low150 Ų150107.9 Ų107.970%0.70159%0.587SS**PPolyproline II helixtrans-50.9137.6179.8-65.1-171.7160.600109.4P87 R91P87-E89 PolarHBondContact O-N 3.38Å; P87-E89 VanDerWaalsContact O-N 3.12Å; E89-R91 PolarHBondContact O-N 3.17Å
90P55.7Low67.7Low99 Ų99110.3 Ų110.364%0.64360%0.601SS**PPolyproline II helixtrans-54.7132.6177.922.7-31.6000108.5T92P90-T92 PolarHBondContact O-N 3.01Å
91R56.6Low67.3Low240 Ų240112.6 Ų112.691%0.90659%0.591SS**  trans-51113.2178.1-70.4-177.6177.6-175.6-1.8108.2E89E89-R91 PolarHBondContact O-N 3.17Å
92T63.6Low66.6Low58 Ų58117.9 Ų117.936%0.35660%0.603SS.*  trans-61.2144.3176.149.70000108.3P90 V96P90-T92 PolarHBondContact O-N 3.01Å; T92-V96 HydrophobicContact CG2-CG1 4.46Å
93S71.3Confident66.3Low34 Ų34117.4 Ų117.424%0.23862%0.615CS.*  trans-56.8148.1170.556.40000109.2S95 V96 Q242S93-S95 PolarHBondContact O-N 2.92Å; S93-V96 PolarHBondContact O-N 3.23Å; S93-Q242 VanDerWaalsContact N-OE1 3.1Å; S93-Q242 PolarHBondContact OG-OE1 3.34Å
94S74.9Confident66.6Low130 Ų130115.3 Ų115.391%0.90959%0.593SS**THydrogen-bonded Turntrans-59.1-14.5179.6530000113.7V96S94-V96 VanDerWaalsContact C-N 3.33Å
95S80.3Confident66.8Low25 Ų25110 Ų11018%0.17559%0.585CS.*THydrogen-bonded Turntrans-74.7-20.1174.2175.30000113.5S93 I286 H287S93-S95 PolarHBondContact O-N 2.92Å; S95-I286 CarbonylContact O-C 3.56Å; S95-I286 WeakPolarHBondContact O-CA 3.44Å; S95-H287 PolarHBondContact O-N 2.9Å; S95-H287 VanDerWaalsContact OG-CA 3.24Å; S95-H287 WeakPolarHBondContact OG-CA 3.41Å; S95-H287 PolarHBondContact OG-CE1 2.88Å; S95-H287 PolarHBondContact OG-N 3.16Å; S95-H287 PolarHBondContact OG-ND1 3.01Å
96V82.1Confident67.7Low6 Ų6106.2 Ų106.24%0.03656%0.562CS.*EExtended strand (participates in β ladder)trans-108115.6-175.5176.20000110.4T92 S93 S94 D239 V243 T284 F285 I286T92-V96 HydrophobicContact CG2-CG1 4.46Å; S93-V96 PolarHBondContact O-N 3.23Å; S94-V96 VanDerWaalsContact C-N 3.33Å; V96-D239 HydrophobicContact CG2-CB 4.44Å; V96-V243 HydrophobicContact CB-CG2 4.45Å; V96-V243 HydrophobicContact CG1-CG2 3.4Å; V96-V243 HydrophobicContact CG2-CG2 4.15Å; V96-T284 HydrophobicContact CG1-CG2 4.23Å; V96-F285 WeakPolarHBondContact CA-O 3.46Å; V96-I286 HydrophobicContact CG2-CG2 4.5Å
97V84.8Confident68.7Low87 Ų87101.8 Ų101.853%0.52755%0.549SS..EExtended strand (participates in β ladder)trans-116114174.2-173.70000109T284 F285V97-T284 WeakPolarHBondContact O-CG2 3.45Å; V97-F285 HydrophobicContact CB-CB 4.17Å; V97-F285 PolarHBondContact N-O 2.87Å; V97-F285 PolarHBondContact O-N 3.45Å
98L83.3Confident70.1Confident49 Ų4996.8 Ų96.826%0.25752%0.516SS..  trans-78.9144.7177.3-67.6174000110.5E100 V243 K281 T284L98-E100 PolarHBondContact O-N 2.67Å; L98-V243 HydrophobicContact CD2-CG1 4.34Å; L98-K281 HydrophobicContact CD2-CD 3.78Å; L98-T284 HydrophobicContact CD2-CG2 3.86Å
99P80.2Confident71.2Confident38 Ų3893.1 Ų93.125%0.24751%0.506CS..  trans-60.4130.3174-20.832.9000110.6R101 H282 T284P99-R101 PolarHBondContact O-N 2.94Å; P99-R101 VanDerWaalsContact O-N 3.15Å; P99-H282 WeakPolarHBondContact CG-O 3.46Å; P99-T284 WeakPolarHBondContact CD-OG1 3.13Å
100E69.9Low72.8Confident200 Ų20089 Ų8994%0.93549%0.491SS*.  trans-68.1111.7174.3-65.6-170.7171.200109.5L98L98-E100 PolarHBondContact O-N 2.67Å
101R66.1Low74.5Confident134 Ų13488.3 Ų88.351%0.50648%0.482SS..  trans-130133.3169.8-66.9-165.2176.3117-13.3110P99 E279 L280P99-R101 PolarHBondContact O-N 2.94Å; P99-R101 VanDerWaalsContact O-N 3.15Å; R101-E279 PolarHBondContact NH1-O 3.31Å; R101-E279 PolarHBondContact NH2-O 2.9Å; R101-L280 HydrophobicContact CB-CD1 4.19Å; R101-L280 VanDerWaalsContact NH1-C 3.28Å; R101-L280 VanDerWaalsContact NH1-CA 3.31Å; R101-L280 PolarHBondContact NH1-O 3.41Å
102K58.1Low76.2Confident202 Ų20284.1 Ų84.188%0.87847%0.472SS*.SBendtrans-62.4158.8168.4-63.3179.4-178176.40108.8Y104K102-Y104 PolarHBondContact O-N 3.31Å
103A62.1Low77.7Confident100 Ų10086.8 Ų86.883%0.82648%0.479SS*.SBendtrans-28.3126.3-170.600000114.3A105A103-A105 PolarHBondContact O-N 2.99Å
104Y66.2Low78.7Confident70 Ų7085.2 Ų85.228%0.27547%0.468SS..  trans-59.5110-176.8177.1-92.5000110.8K102 K276 E279K102-Y104 PolarHBondContact O-N 3.31Å; Y104-K276 HydrophobicContact CD1-CD 4.26Å; Y104-K276 HydrophobicContact CD1-CG 4.47Å; Y104-K276 HydrophobicContact CD2-CG 4.24Å; Y104-K276 HydrophobicContact CE1-CD 4.09Å; Y104-K276 HydrophobicContact CE1-CG 4.08Å; Y104-K276 HydrophobicContact CE2-CB 4.35Å; Y104-K276 HydrophobicContact CE2-CG 3.81Å; Y104-K276 WeakPolarHBondContact OH-CA 3.33Å; Y104-E279 HydrophobicContact CE2-CB 4.17Å
105A67.7Low79.7Confident83 Ų8380.2 Ų80.269%0.68643%0.431SS*.  trans-111.9125.315800000106A103 S107A103-A105 PolarHBondContact O-N 2.99Å; A105-S107 PolarHBondContact O-N 3.35Å
106S73.5Confident80.3Confident35 Ų3582.8 Ų82.825%0.24544%0.443CS..  trans-61.8121.3177.534.10000108.6L108 D109S106-L108 VanDerWaalsContact C-N 3.33Å; S106-D109 WeakPolarHBondContact CB-OD1 3.46Å; S106-D109 PolarHBondContact OG-OD1 3.49Å
107S79.4Confident80.9Confident76 Ų7683.5 Ų83.553%0.53145%0.45SS..SBendtrans-85.8-16.9176.356.60000111.6A105 E279A105-S107 PolarHBondContact O-N 3.35Å; S107-E279 PolarHBondContact N-OE2 3.14Å; S107-E279 VanDerWaalsContact N-OE2 3.09Å; S107-E279 PolarHBondContact OG-OE2 2.86Å
108L84.2Confident81.3Confident20 Ų2079.4 Ų79.411%0.10542%0.424CS..  trans-109.948.6-173.2-47.8178.3000111.4S106 T110 K113 L114 A117 L275 F278 E279S106-L108 VanDerWaalsContact C-N 3.33Å; L108-T110 PolarHBondContact O-N 3.06Å; L108-K113 HydrophobicContact CD2-CB 4.23Å; L108-L114 HydrophobicContact CB-CB 4.31Å; L108-L114 HydrophobicContact CB-CD1 4.42Å; L108-L114 HydrophobicContact CD1-CD1 3.91Å; L108-A117 HydrophobicContact CD1-CB 3.68Å; L108-A117 HydrophobicContact CD2-CB 3.72Å; L108-A117 HydrophobicContact CG-CB 4.38Å; L108-L275 HydrophobicContact CB-CD1 4.39Å; L108-L275 HydrophobicContact CD1-CD1 4.39Å; L108-F278 HydrophobicContact CD1-CD1 4.11Å; L108-F278 HydrophobicContact CD1-CE1 3.75Å; L108-E279 VanDerWaalsContact CB-OE1 3.26Å; L108-E279 WeakPolarHBondContact CB-OE1 3.37Å; L108-E279 HydrophobicContact CD1-CG 3.61Å; L108-E279 HydrophobicContact CG-CG 4.07Å; L108-E279 WeakPolarHBondContact CG-OE1 3.44Å; L108-E279 PolarHBondContact N-OE1 3.28Å
109D78.7Confident81.8Confident120 Ų12079.5 Ų79.564%0.64242%0.422SS*.  trans-66.7-24.7-178.6-67.6-30.8000113.3S106S106-D109 WeakPolarHBondContact CB-OD1 3.46Å; S106-D109 PolarHBondContact OG-OD1 3.49Å
110T90.8Very high82.4Confident64 Ų6482.6 Ų82.639%0.39344%0.436SS..SBendtrans-103.1146178.261.30000111.8L108 E112 K113 L114L108-T110 PolarHBondContact O-N 3.06Å; T110-E112 PolarHBondContact O-N 3.45Å; T110-K113 PolarHBondContact O-N 2.77Å; T110-K113 WeakPolarHBondContact OG1-CB 3.24Å; T110-K113 WeakPolarHBondContact OG1-CD 3.47Å; T110-K113 WeakPolarHBondContact OG1-CG 3.28Å; T110-K113 PolarHBondContact OG1-N 2.89Å; T110-L114 PolarHBondContact O-N 2.98Å
111D91.5Very high83.5Confident84 Ų8474.2 Ų74.245%0.44940%0.396SS..Hα-helixtrans-59.6-33.5178.8-85.67.2000112.2L115 L218 R271D111-L115 VanDerWaalsContact O-CB 3.32Å; D111-L115 WeakPolarHBondContact O-CB 3.21Å; D111-L115 PolarHBondContact O-N 3.4Å; D111-L218 HydrophobicContact CB-CD1 3.57Å; D111-R271 IonicContact OD1-CZ 3.91Å; D111-R271 IonicContact OD1-NH1 3.85Å; D111-R271 PolarHBondContact OD1-NH1 3.02Å; D111-R271 IonicContact OD1-NH2 3.77Å; D111-R271 PolarHBondContact OD1-NH2 3.25Å; D111-R271 IonicContact OD2-NH1 3.42Å; D111-R271 IonicContact OD2-NH2 3.99Å
112E92.8Very high84.7Confident151 Ų15168.3 Ų68.371%0.70637%0.374SS*.Hα-helixtrans-64.3-51.8174.9-64.1177.2171.600111.9T110 L114 L115 D116T110-E112 PolarHBondContact O-N 3.45Å; E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.09Å; E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.35Å; E112-L115 VanDerWaalsContact O-N 3.11Å; E112-D116 PolarHBondContact O-N 3.5Å
113K93.3Very high86.3Confident115 Ų11559.8 Ų59.850%0.534%0.339SS..Hα-helixtrans-60.4-40.2177.3-72.8176.7-176.6179.30111.3L108 T110 A117L108-K113 HydrophobicContact CD2-CB 4.23Å; T110-K113 PolarHBondContact O-N 2.77Å; T110-K113 WeakPolarHBondContact OG1-CB 3.24Å; T110-K113 WeakPolarHBondContact OG1-CD 3.47Å; T110-K113 WeakPolarHBondContact OG1-CG 3.28Å; T110-K113 PolarHBondContact OG1-N 2.89Å; K113-A117 WeakPolarHBondContact O-CB 3.28Å; K113-A117 PolarHBondContact O-N 3Å
114L93.9Very high87.7Confident1 Ų158.3 Ų58.31%0.00532%0.315CS..Hα-helixtrans-61.6-47175.2176.759000111.4L108 T110 E112 A117 I118 L218 M223 L275 F278 F295L108-L114 HydrophobicContact CB-CB 4.31Å; L108-L114 HydrophobicContact CB-CD1 4.42Å; L108-L114 HydrophobicContact CD1-CD1 3.91Å; T110-L114 PolarHBondContact O-N 2.98Å; E112-L114 VanDerWaalsContact C-N 3.27Å; E112-L114 PolarHBondContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 3.19Å; L114-I118 HydrophobicContact CD1-CD1 4.01Å; L114-I118 HydrophobicContact CD1-CG1 4.23Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.4Å; L114-I118 PolarHBondContact O-N 3.15Å; L114-L218 HydrophobicContact CD2-CD2 4.29Å; L114-L218 HydrophobicContact CG-CD2 4.27Å; L114-M223 HydrophobicContact CD2-SD 4.22Å; L114-L275 HydrophobicContact CD1-CD1 3.41Å; L114-L275 VanDerWaalsContact CD1-CD1 3.41Å; L114-L275 HydrophobicContact CD2-CD1 4.21Å; L114-L275 HydrophobicContact CG-CD1 4.38Å; L114-F278 HydrophobicContact CD1-CD1 4.4Å; L114-F278 HydrophobicContact CD1-CE1 4.14Å; L114-F295 HydrophobicContact CD1-CE2 3.94Å
115L94.3Very high88.8Confident24 Ų2455.8 Ų55.813%0.12631%0.306CS..Hα-helixtrans-61.3-46.1179.4-177.157.3000110.9D111 E112 A117 I118 R119 L218D111-L115 VanDerWaalsContact O-CB 3.32Å; D111-L115 WeakPolarHBondContact O-CB 3.21Å; D111-L115 PolarHBondContact O-N 3.4Å; E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.35Å; E112-L115 VanDerWaalsContact O-N 3.11Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.16Å; L115-I118 WeakPolarHBondContact O-CB 3.4Å; L115-I118 PolarHBondContact O-N 2.99Å; L115-I118 VanDerWaalsContact O-N 3.17Å; L115-R119 HydrophobicContact CD1-CG 4.32Å; L115-R119 HydrophobicContact CG-CG 4.48Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.47Å; L115-R119 PolarHBondContact O-N 2.83Å; L115-L218 HydrophobicContact CB-CD2 3.96Å; L115-L218 HydrophobicContact CB-CG 4.08Å; L115-L218 HydrophobicContact CD1-CD2 3.91Å; L115-L218 HydrophobicContact CD1-CG 4.07Å; L115-L218 HydrophobicContact CG-CD2 4.49Å; L115-L218 HydrophobicContact CG-CG 4.45Å
116D93.9Very high89.8Confident79 Ų7954 Ų5442%0.42228%0.281SS..Hα-helixtrans-62.1-41.9177.2-69.6-19.3000111.7E112 I118 R119 N120E112-D116 PolarHBondContact O-N 3.5Å; D116-I118 VanDerWaalsContact C-N 3.33Å; D116-I118 PolarHBondContact O-N 2.92Å; D116-R119 PolarHBondContact O-N 2.88Å; D116-R119 IonicContact OD1-NH1 3.8Å; D116-N120 VanDerWaalsContact O-CB 3.29Å; D116-N120 WeakPolarHBondContact O-CB 3.36Å; D116-N120 PolarHBondContact O-N 3.32Å; D116-N120 PolarHBondContact O-ND2 3.02Å
117A94Very high90.7Very high22 Ų2256.7 Ų56.718%0.18229%0.29CS..Hα-helixtrans-62.3-38.9174.700000112.6L108 K113 L114 L115 R121 F278L108-A117 HydrophobicContact CD1-CB 3.68Å; L108-A117 HydrophobicContact CD2-CB 3.72Å; L108-A117 HydrophobicContact CG-CB 4.38Å; K113-A117 WeakPolarHBondContact O-CB 3.28Å; K113-A117 PolarHBondContact O-N 3Å; L114-A117 PolarHBondContact O-N 3.19Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.16Å; A117-R121 WeakPolarHBondContact O-CB 3.41Å; A117-R121 PolarHBondContact O-N 2.87Å; A117-R121 VanDerWaalsContact O-N 3.14Å; A117-F278 HydrophobicContact CB-CE1 4.4Å
118I94.2Very high91.2Very high0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-65.3-47.5175.2-68.3165.8000110.4L114 L115 D116 R121 L122 L218 F221 M223 F278 M294 F295L114-I118 HydrophobicContact CD1-CD1 4.01Å; L114-I118 HydrophobicContact CD1-CG1 4.23Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.4Å; L114-I118 PolarHBondContact O-N 3.15Å; L115-I118 WeakPolarHBondContact O-CB 3.4Å; L115-I118 PolarHBondContact O-N 2.99Å; L115-I118 VanDerWaalsContact O-N 3.17Å; D116-I118 VanDerWaalsContact C-N 3.33Å; D116-I118 PolarHBondContact O-N 2.92Å; I118-R121 PolarHBondContact O-N 2.76Å; I118-L122 HydrophobicContact CG2-CD1 4.28Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 3.43Å; I118-L218 HydrophobicContact CD1-CD2 3.9Å; I118-F221 HydrophobicContact CG2-CD1 4.39Å; I118-F221 HydrophobicContact CG2-CD2 4.41Å; I118-F221 HydrophobicContact CG2-CE1 3.75Å; I118-F221 HydrophobicContact CG2-CE2 3.78Å; I118-F221 HydrophobicContact CG2-CZ 3.41Å; I118-F221 VanDerWaalsContact CG2-CZ 3.41Å; I118-M223 HydrophobicContact CD1-CE 4.5Å; I118-F278 HydrophobicContact CB-CZ 4.5Å; I118-F278 HydrophobicContact CG1-CE1 4.45Å; I118-F278 HydrophobicContact CG1-CE2 3.91Å; I118-F278 HydrophobicContact CG1-CZ 3.61Å; I118-M294 HydrophobicContact CG2-CE 4.42Å; I118-F295 HydrophobicContact CD1-CD2 3.52Å; I118-F295 HydrophobicContact CD1-CE2 4.03Å; I118-F295 HydrophobicContact CD1-CG 4.38Å; I118-F295 HydrophobicContact CG1-CD2 3.85Å; I118-F295 HydrophobicContact CG1-CE2 4.36Å
119R93.6Very high91.6Very high52 Ų5253.9 Ų53.920%0.19627%0.269CS..Hα-helixtrans-61.9-50-179.6-70.5177.1172162.6-11.6111.4L115 D116 R121 L122 V123 P213 L214 R216L115-R119 HydrophobicContact CD1-CG 4.32Å; L115-R119 HydrophobicContact CG-CG 4.48Å; L115-R119 VanDerWaalsContact O-CG 3.26Å; L115-R119 WeakPolarHBondContact O-CG 3.47Å; L115-R119 PolarHBondContact O-N 2.83Å; D116-R119 PolarHBondContact O-N 2.88Å; D116-R119 IonicContact OD1-NH1 3.8Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.4Å; R119-L122 WeakPolarHBondContact O-CB 3.43Å; R119-L122 PolarHBondContact O-N 2.81Å; R119-L122 VanDerWaalsContact O-N 3.12Å; R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 2.97Å; R119-P213 WeakPolarHBondContact CG-O 3.4Å; R119-L214 HydrophobicContact CB-CD2 4.42Å; R119-L214 VanDerWaalsContact CZ-O 3.27Å; R119-L214 PolarHBondContact NE-O 3.25Å; R119-L214 VanDerWaalsContact NE-O 3.12Å; R119-L214 PolarHBondContact NH2-O 2.94Å; R119-R216 VanDerWaalsContact CZ-O 3.25Å; R119-R216 PolarHBondContact NE-O 3.33Å; R119-R216 PolarHBondContact NH2-O 2.74Å
120N93.3Very high92.2Very high102 Ų10248.2 Ų48.255%0.54524%0.238SC..Hα-helixtrans-58.1-43.9178.7-71.1-20.5000111.5D116 L122 V123 E124D116-N120 VanDerWaalsContact O-CB 3.29Å; D116-N120 WeakPolarHBondContact O-CB 3.36Å; D116-N120 PolarHBondContact O-N 3.32Å; D116-N120 PolarHBondContact O-ND2 3.02Å; N120-L122 VanDerWaalsContact C-N 3.35Å; N120-L122 PolarHBondContact O-N 2.78Å; N120-V123 PolarHBondContact O-N 3.39Å; N120-E124 WeakPolarHBondContact O-CB 3.36Å; N120-E124 PolarHBondContact O-N 2.84Å
121R92.9Very high92.2Very high25 Ų2545.5 Ų45.59%0.09422%0.222CC..Hα-helixtrans-68.5-32.5178.6-163.5179.3-56168.5-4.3112.9A117 I118 R119 M125 F278 H282 Y292 V293 M294A117-R121 WeakPolarHBondContact O-CB 3.41Å; A117-R121 PolarHBondContact O-N 2.87Å; A117-R121 VanDerWaalsContact O-N 3.14Å; I118-R121 PolarHBondContact O-N 2.76Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R119-R121 PolarHBondContact O-N 3.4Å; R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.4Å; R121-M125 PolarHBondContact O-N 2.91Å; R121-F278 VanDerWaalsContact NH1-CD2 3.32Å; R121-F278 PolarHBondContact NH1-O 3.13Å; R121-F278 PolarHBondContact NH2-O 3.35Å; R121-H282 PolarHBondContact NE-CD2 3.48Å; R121-H282 VanDerWaalsContact NE-CD2 3.3Å; R121-Y292 HydrophobicContact CG-CD1 4.04Å; R121-Y292 HydrophobicContact CG-CE1 4.19Å; R121-V293 WeakPolarHBondContact CD-O 3.25Å; R121-V293 PolarHBondContact NH1-O 2.92Å; R121-M294 HydrophobicContact CB-CE 3.76Å; R121-M294 HydrophobicContact CB-SD 3.82Å; R121-M294 HydrophobicContact CG-CE 3.92Å; R121-M294 HydrophobicContact CG-SD 3.66Å
122L91.4Very high92.2Very high10 Ų1041.5 Ų41.55%0.05220%0.201CC..Hα-helixtrans-66.4-43.2171.6-76.5174.6000111.9I118 R119 N120 M125 Y126 P213 F221 M294I118-L122 HydrophobicContact CG2-CD1 4.28Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 3.43Å; R119-L122 WeakPolarHBondContact O-CB 3.43Å; R119-L122 PolarHBondContact O-N 2.81Å; R119-L122 VanDerWaalsContact O-N 3.12Å; N120-L122 VanDerWaalsContact C-N 3.35Å; N120-L122 PolarHBondContact O-N 2.78Å; L122-M125 HydrophobicContact CD2-CE 3.75Å; L122-M125 PolarHBondContact O-N 3.32Å; L122-Y126 PolarHBondContact O-N 2.87Å; L122-P213 HydrophobicContact CB-CB 3.82Å; L122-P213 HydrophobicContact CB-CG 4.23Å; L122-P213 HydrophobicContact CD1-CB 4.26Å; L122-F221 HydrophobicContact CD1-CE1 4.14Å; L122-F221 HydrophobicContact CD1-CZ 3.81Å; L122-M294 HydrophobicContact CD2-SD 4Å; L122-M294 HydrophobicContact CG-SD 4.16Å
123V91Very high92Very high22 Ų2236.8 Ų36.813%0.13318%0.176CC..Hα-helixtrans-61.6-50.2176.8173.20000110.2R119 N120 M125 Y126 Q127 L199 P213 L214R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 2.97Å; N120-V123 PolarHBondContact O-N 3.39Å; V123-M125 VanDerWaalsContact C-N 3.33Å; V123-M125 PolarHBondContact O-N 3.03Å; V123-Y126 PolarHBondContact O-N 2.89Å; V123-Y126 VanDerWaalsContact O-N 3.12Å; V123-Q127 HydrophobicContact CG1-CG 4.35Å; V123-Q127 WeakPolarHBondContact O-CG 3.37Å; V123-Q127 PolarHBondContact O-N 3.37Å; V123-L199 HydrophobicContact CG2-CD2 4.03Å; V123-P213 HydrophobicContact CG2-CB 4.11Å; V123-L214 HydrophobicContact CG2-CD2 3.89Å; V123-L214 HydrophobicContact CG2-CG 4.26Å
124E90.9Very high91.7Very high70 Ų7032.6 Ų32.633%0.32716%0.161SC..Hα-helixtrans-55.9-47.4177.3-171.8-160.6141.300111.4N120 Y126 Q127 H128 Y292N120-E124 WeakPolarHBondContact O-CB 3.36Å; N120-E124 PolarHBondContact O-N 2.84Å; E124-Y126 VanDerWaalsContact C-N 3.31Å; E124-Y126 PolarHBondContact O-N 2.97Å; E124-Q127 PolarHBondContact O-N 3.46Å; E124-H128 PolarHBondContact O-N 3.3Å; E124-H128 VanDerWaalsContact O-N 3.16Å; E124-H128 IonicContact OE1-CE1 2.92Å; E124-Y292 PolarHBondContact OE1-OH 3Å
125M90.7Very high91.3Very high16 Ų1632.8 Ų32.88%0.07916%0.162CC..Hα-helixtrans-59.7-40177.9-178.1-173.966.900112.3R121 L122 V123 H128 T129 L229 Y292R121-M125 VanDerWaalsContact O-CB 3.25Å; R121-M125 WeakPolarHBondContact O-CB 3.4Å; R121-M125 PolarHBondContact O-N 2.91Å; L122-M125 HydrophobicContact CD2-CE 3.75Å; L122-M125 PolarHBondContact O-N 3.32Å; V123-M125 VanDerWaalsContact C-N 3.33Å; V123-M125 PolarHBondContact O-N 3.03Å; M125-H128 PolarHBondContact O-N 2.91Å; M125-T129 WeakPolarHBondContact O-CB 3.47Å; M125-T129 PolarHBondContact O-N 2.85Å; M125-T129 PolarHBondContact O-OG1 3.22Å; M125-L229 HydrophobicContact CE-CD1 4.44Å; M125-L229 HydrophobicContact SD-CD1 3.53Å; M125-L229 VanDerWaalsContact SD-CD1 3.53Å; M125-Y292 HydrophobicContact CB-CD1 3.94Å; M125-Y292 HydrophobicContact CB-CE1 3.88Å; M125-Y292 HydrophobicContact CG-CD1 4.2Å; M125-Y292 HydrophobicContact CG-CE1 4.46Å
126Y88.8Confident90.8Very high45 Ų4532.6 Ų32.618%0.17616%0.162CC..Hα-helixtrans-71.9-38.1177.9-71.8-10.7000112.6L122 V123 E124 H128 T129 C197 L199 P213L122-Y126 PolarHBondContact O-N 2.87Å; V123-Y126 PolarHBondContact O-N 2.89Å; V123-Y126 VanDerWaalsContact O-N 3.12Å; E124-Y126 VanDerWaalsContact C-N 3.31Å; E124-Y126 PolarHBondContact O-N 2.97Å; Y126-H128 PolarHBondContact O-N 3Å; Y126-T129 PolarHBondContact O-N 2.9Å; Y126-T129 VanDerWaalsContact O-N 3.1Å; Y126-C197 HydrophobicContact CD1-CB 4.32Å; Y126-C197 HydrophobicContact CG-CB 4.33Å; Y126-L199 HydrophobicContact CD2-CD2 4.29Å; Y126-P213 HydrophobicContact CD2-CG 3.59Å; Y126-P213 HydrophobicContact CE2-CG 3.23Å
127Q90.5Very high90Very high92 Ų9239 Ų3943%0.4318%0.18SC..Hα-helixtrans-63.8-21.2175.1-72.4173.9-16.400113.4V123 E124 H172 L175V123-Q127 HydrophobicContact CG1-CG 4.35Å; V123-Q127 WeakPolarHBondContact O-CG 3.37Å; V123-Q127 PolarHBondContact O-N 3.37Å; E124-Q127 PolarHBondContact O-N 3.46Å; Q127-H172 PolarHBondContact O-ND1 2.8Å; Q127-L175 WeakPolarHBondContact O-CD1 3.39Å
128H91.7Very high89.4Confident28 Ų2844.4 Ų44.413%0.1321%0.206CC..THydrogen-bonded Turntrans-100.84.6176.8-61.5164.2000113.9E124 M125 Y126 K168 F169 Y292E124-H128 PolarHBondContact O-N 3.3Å; E124-H128 VanDerWaalsContact O-N 3.16Å; E124-H128 IonicContact OE1-CE1 2.92Å; M125-H128 PolarHBondContact O-N 2.91Å; Y126-H128 PolarHBondContact O-N 3Å; H128-K168 CarbonylContact O-C 3.56Å; H128-K168 WeakPolarHBondContact O-CA 3.37Å; H128-F169 PolarHBondContact O-N 3.45Å; H128-Y292 PolarHBondContact ND1-OH 3.47Å
129T91.9Very high88.8Confident10 Ų1045 Ų456%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-121.3128.3-178.5-53.50000111.6M125 Y126 F166 A167 L175 C197M125-T129 WeakPolarHBondContact O-CB 3.47Å; M125-T129 PolarHBondContact O-N 2.85Å; M125-T129 PolarHBondContact O-OG1 3.22Å; Y126-T129 PolarHBondContact O-N 2.9Å; Y126-T129 VanDerWaalsContact O-N 3.1Å; T129-F166 HydrophobicContact CG2-CB 3.85Å; T129-F166 HydrophobicContact CG2-CD1 4.17Å; T129-F166 HydrophobicContact CG2-CG 4.46Å; T129-A167 CarbonylContact C-O 3.59Å; T129-A167 WeakPolarHBondContact CA-O 3.4Å; T129-L175 VanDerWaalsContact C-CD1 3.48Å; T129-C197 WeakPolarHBondContact CG2-SG 3.5Å; T129-C197 VanDerWaalsContact O-CB 3.28Å; T129-C197 WeakPolarHBondContact O-CB 3.36Å; T129-C197 PolarHBondContact O-N 3.16Å; T129-C197 PolarHBondContact O-SG 3.01Å; T129-C197 VanDerWaalsContact O-SG 3.4Å
130L92Very high88.5Confident0 Ų045 Ų450%022%0.217CC..EExtended strand (participates in β ladder)trans-100.1132.9175.6-166.570.6000110.1F148 F166 A167 F169 L175 Q179 T194L130-F148 HydrophobicContact CD2-CE1 3.73Å; L130-F148 HydrophobicContact CD2-CZ 4.01Å; L130-F166 CarbonylContact O-C 3.6Å; L130-F166 VanDerWaalsContact O-CA 3.31Å; L130-F166 WeakPolarHBondContact O-CA 3.24Å; L130-A167 PolarHBondContact N-O 3.29Å; L130-A167 PolarHBondContact O-N 3.13Å; L130-F169 HydrophobicContact CB-CD2 4.46Å; L130-F169 HydrophobicContact CB-CE2 3.78Å; L130-F169 HydrophobicContact CD2-CE2 4.18Å; L130-L175 HydrophobicContact CB-CD1 4.17Å; L130-L175 HydrophobicContact CB-CG 4.25Å; L130-L175 HydrophobicContact CD1-CD2 4Å; L130-L175 HydrophobicContact CD1-CG 4.32Å; L130-Q179 HydrophobicContact CD1-CB 4.23Å; L130-Q179 HydrophobicContact CD1-CG 4.12Å; L130-T194 HydrophobicContact CD2-CG2 3.85Å; L130-T194 HydrophobicContact CG-CG2 4.41Å
131T90.4Very high88.1Confident8 Ų840.9 Ų40.95%0.04920%0.196CC..EExtended strand (participates in β ladder)trans-89.1136.4167.469.10000110.2A165 F166 T194 E195 C197T131-A165 WeakPolarHBondContact CA-O 3.12Å; T131-F166 HydrophobicContact CG2-CD1 3.8Å; T131-F166 HydrophobicContact CG2-CE1 3.62Å; T131-T194 WeakPolarHBondContact O-CA 3.46Å; T131-E195 WeakPolarHBondContact CA-O 3.48Å; T131-E195 PolarHBondContact N-O 3.15Å; T131-E195 PolarHBondContact O-N 3.04Å; T131-E195 WeakPolarHBondContact OG1-CB 3.28Å; T131-E195 PolarHBondContact OG1-O 3.2Å; T131-C197 HydrophobicContact CG2-CB 4.29Å; T131-C197 WeakPolarHBondContact CG2-SG 3.24Å
132I90.2Very high87.9Confident0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-121.6121.4-176-55.9155.6000108.2L135 I144 F148 F164 A165 A167 I192 T194I132-L135 HydrophobicContact CG2-CD2 3.88Å; I132-I144 HydrophobicContact CD1-CG2 3.67Å; I132-F148 HydrophobicContact CD1-CD2 3.69Å; I132-F148 HydrophobicContact CD1-CE2 3.26Å; I132-F148 HydrophobicContact CD1-CZ 3.97Å; I132-F148 HydrophobicContact CG1-CE2 3.72Å; I132-F148 HydrophobicContact CG1-CZ 3.97Å; I132-F148 HydrophobicContact CG2-CE2 4.32Å; I132-F164 CarbonylContact O-C 3.57Å; I132-F164 WeakPolarHBondContact O-CA 3.44Å; I132-F164 WeakPolarHBondContact O-CB 3.46Å; I132-A165 PolarHBondContact N-O 2.95Å; I132-A165 PolarHBondContact O-N 2.87Å; I132-A167 HydrophobicContact CD1-CB 3.75Å; I132-I192 HydrophobicContact CG2-CG2 3.59Å; I132-T194 HydrophobicContact CG1-CG2 4.41Å
133R88.2Confident87.7Confident52 Ų5243.6 Ų43.620%0.19622%0.217CC..EExtended strand (participates in β ladder)trans-144.5154.9-179.9-55.8-162.5178.21120.3110.5F164 I192 K193 E195R133-F164 HydrophobicContact CG-CB 3.56Å; R133-I192 CarbonylContact O-C 3.57Å; R133-K193 PolarHBondContact N-O 3.26Å; R133-K193 CarbonylContact O-C 3.51Å; R133-K193 VanDerWaalsContact O-CA 3.31Å; R133-K193 WeakPolarHBondContact O-CA 3.32Å; R133-K193 WeakPolarHBondContact O-CB 3.47Å; R133-K193 PolarHBondContact O-N 3.4Å; R133-E195 IonicContact NH1-OE2 2.69Å
134P87.4Confident87.7Confident26 Ų2642.6 Ų42.617%0.16921%0.211CC..PPolyproline II helixcis-78.2143.9-19.432.9-30.2000110.6K190 E191P134-K190 HydrophobicContact CG-CB 3.88Å; P134-K190 HydrophobicContact CG-CD 4.08Å; P134-E191 VanDerWaalsContact CD-O 3.24Å; P134-E191 WeakPolarHBondContact CD-O 3.35Å
135L85.8Confident87.6Confident5 Ų542.8 Ų42.83%0.02621%0.211CC..PPolyproline II helixtrans-100.9150169.3-64.8-176.3000112.2I132 C139 I144 R163 A165 L187I132-L135 HydrophobicContact CG2-CD2 3.88Å; L135-C139 HydrophobicContact CB-CB 4.24Å; L135-I144 HydrophobicContact CD1-CD1 3.61Å; L135-I144 HydrophobicContact CD2-CD1 4.48Å; L135-R163 PolarHBondContact N-O 3.46Å; L135-A165 HydrophobicContact CD1-CB 3.36Å; L135-L187 HydrophobicContact CD2-CD2 3.49Å; L135-L187 VanDerWaalsContact CD2-CD2 3.49Å
136P83.3Confident87.6Confident21 Ų2147.6 Ų47.614%0.13624%0.237CC..PPolyproline II helixtrans-56.3150.7165.9-23.433.1000111.6N138 C139 L187 N188P136-N138 PolarHBondContact O-N 3.27Å; P136-C139 HydrophobicContact CB-CB 4.36Å; P136-C139 HydrophobicContact CG-CB 4.49Å; P136-C139 PolarHBondContact O-N 2.97Å; P136-L187 VanDerWaalsContact CD-CD2 3.5Å; P136-L187 HydrophobicContact CG-CD2 4.21Å; P136-L187 HydrophobicContact CG-CG 4.1Å; P136-N188 HydrophobicContact CG-CB 4.29Å
137R78.9Confident87.7Confident213 Ų21346.1 Ų46.180%0.80423%0.232SC*.THydrogen-bonded Turntrans-56.9-34.6179.1-70.9-174.5-178.6-131.85.1112.7
138N80.1Confident87.7Confident135 Ų13541.8 Ų41.872%0.72221%0.212SC*.THydrogen-bonded Turntrans-118.858.1179.1-164.320.4000110.4P136 P140 Y386P136-N138 PolarHBondContact O-N 3.27Å; N138-P140 WeakPolarHBondContact O-CD 3.49Å; N138-Y386 PolarHBondContact O-OH 3.02Å
139C82.8Confident87.7Confident14 Ų1445.8 Ų45.810%0.09524%0.24CC..  trans-81.2115.6175.8-169.40000109.4L135 P136 I156L135-C139 HydrophobicContact CB-CB 4.24Å; P136-C139 HydrophobicContact CB-CB 4.36Å; P136-C139 HydrophobicContact CG-CB 4.49Å; P136-C139 PolarHBondContact O-N 2.97Å; C139-I156 HydrophobicContact CB-CD1 4.47Å; C139-I156 WeakPolarHBondContact O-CD1 3.33Å
140P85.7Confident87.7Confident50 Ų5047.9 Ų47.933%0.32526%0.255SS..  trans-70.6149.9175.231.3-34.2000110.1N138 S142 L143N138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-S142 PolarHBondContact O-N 3.01Å; P140-L143 HydrophobicContact CG-CB 3.88Å; P140-L143 PolarHBondContact O-N 3.46Å
141V86.5Confident87.7Confident17 Ų1748.7 Ų48.710%0.10326%0.261CS..Hα-helixtrans-67.6-26-180179.90000112.2I144 K145 V154 I156 R233V141-I144 PolarHBondContact O-N 2.85Å; V141-K145 PolarHBondContact O-N 3.33Å; V141-K145 VanDerWaalsContact O-N 3.07Å; V141-V154 HydrophobicContact CG1-CB 3.88Å; V141-V154 HydrophobicContact CG1-CG1 3.89Å; V141-I156 HydrophobicContact CG2-CD1 3.64Å; V141-I156 HydrophobicContact CG2-CG1 3.92Å; V141-R233 VanDerWaalsContact CG1-NH2 3.34Å
142S87.2Confident87.6Confident70 Ų7049 Ų4949%0.4926%0.263SS..Hα-helixtrans-57.3-48.8173.246.90000111.6P140 I144 K145 D146P140-S142 PolarHBondContact O-N 3.01Å; S142-I144 PolarHBondContact O-N 3.45Å; S142-K145 CarbonylContact O-C 3.48Å; S142-K145 WeakPolarHBondContact O-CA 3.42Å; S142-K145 WeakPolarHBondContact O-CB 3.5Å; S142-K145 PolarHBondContact O-N 3.29Å; S142-D146 PolarHBondContact O-N 2.92Å
143L88.7Confident87.6Confident22 Ų2249.7 Ų49.712%0.11527%0.266CS..Hα-helixtrans-57.5-37-179.8-176.962.1000112.6P140 D146 L147 L187 Y386P140-L143 HydrophobicContact CG-CB 3.88Å; P140-L143 PolarHBondContact O-N 3.46Å; L143-D146 PolarHBondContact O-N 2.73Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.33Å; L143-L147 VanDerWaalsContact O-N 3.08Å; L143-L187 HydrophobicContact CD2-CD1 3.8Å; L143-L187 HydrophobicContact CG-CD1 4.43Å; L143-Y386 HydrophobicContact CD2-CD1 4.14Å; L143-Y386 HydrophobicContact CD2-CD2 4.47Å; L143-Y386 HydrophobicContact CD2-CE1 4.48Å; L143-Y386 HydrophobicContact CD2-CG 4.14Å
144I89.9Confident87.7Confident0 Ų047.5 Ų47.50%026%0.259CS..Hα-helixtrans-72.8-37.1176.4-55.2179.5000111.1I132 L135 V141 S142 D146 L147 F148 V154 I156 A165I132-I144 HydrophobicContact CD1-CG2 3.67Å; L135-I144 HydrophobicContact CD1-CD1 3.61Å; L135-I144 HydrophobicContact CD2-CD1 4.48Å; V141-I144 PolarHBondContact O-N 2.85Å; S142-I144 PolarHBondContact O-N 3.45Å; I144-D146 VanDerWaalsContact C-N 3.28Å; I144-D146 PolarHBondContact O-N 3.43Å; I144-L147 PolarHBondContact O-N 3.36Å; I144-F148 HydrophobicContact CG2-CD2 3.9Å; I144-F148 HydrophobicContact CG2-CE2 4.42Å; I144-F148 WeakPolarHBondContact O-CD2 3.34Å; I144-F148 PolarHBondContact O-N 3.07Å; I144-V154 HydrophobicContact CB-CG1 3.82Å; I144-V154 HydrophobicContact CD1-CG1 4.06Å; I144-V154 HydrophobicContact CG2-CB 4.45Å; I144-V154 HydrophobicContact CG2-CG1 3.49Å; I144-V154 VanDerWaalsContact CG2-CG1 3.49Å; I144-V154 HydrophobicContact CG2-CG2 4.09Å; I144-I156 HydrophobicContact CD1-CD1 3.54Å; I144-I156 HydrophobicContact CD1-CG1 3.76Å; I144-A165 HydrophobicContact CD1-CB 3.5Å; I144-A165 VanDerWaalsContact CD1-CB 3.5Å
145K89.9Confident87.6Confident75 Ų7549.9 Ų49.933%0.32626%0.264SS..Hα-helixtrans-64.4-34.8173.2-73.9-170.9167.9-151.40111.9V141 S142 F148 P149 V154V141-K145 PolarHBondContact O-N 3.33Å; V141-K145 VanDerWaalsContact O-N 3.07Å; S142-K145 CarbonylContact O-C 3.48Å; S142-K145 WeakPolarHBondContact O-CA 3.42Å; S142-K145 WeakPolarHBondContact O-CB 3.5Å; S142-K145 PolarHBondContact O-N 3.29Å; K145-F148 CarbonylContact O-C 3.56Å; K145-F148 PolarHBondContact O-N 3.09Å; K145-P149 WeakPolarHBondContact O-CA 3.4Å; K145-P149 VanDerWaalsContact O-N 3.12Å; K145-V154 HydrophobicContact CG-CB 4.44Å; K145-V154 HydrophobicContact CG-CG2 3.94Å
146D90.1Very high87.6Confident117 Ų11751 Ų5163%0.62627%0.27SS*.Hα-helixtrans-69.3-36.5176.1-59-25.7000111.4S142 L143 I144S142-D146 PolarHBondContact O-N 2.92Å; L143-D146 PolarHBondContact O-N 2.73Å; I144-D146 VanDerWaalsContact C-N 3.28Å; I144-D146 PolarHBondContact O-N 3.43Å
147L90.1Very high87.6Confident13 Ų1351.1 Ų51.17%0.06827%0.271CS..Hα-helixtrans-68.6-34.1172.1-72.4169.3000112.8L143 I144 P149 I192 L388L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 3.33Å; L143-L147 VanDerWaalsContact O-N 3.08Å; I144-L147 PolarHBondContact O-N 3.36Å; L147-P149 VanDerWaalsContact C-CD 3.5Å; L147-P149 WeakPolarHBondContact O-CD 3.38Å; L147-I192 HydrophobicContact CD1-CD1 3.95Å; L147-I192 HydrophobicContact CD2-CD1 4.3Å; L147-L388 HydrophobicContact CD2-CD1 4.03Å; L147-L388 HydrophobicContact CD2-CD2 4.19Å
148F92Very high87.2Confident2 Ų245.7 Ų45.71%0.00926%0.255CS..  trans-126.271.2-176.9-61.3-76.4000111.1L130 I132 I144 K145 S150 S151 F169 A178 V182 T194L130-F148 HydrophobicContact CD2-CE1 3.73Å; L130-F148 HydrophobicContact CD2-CZ 4.01Å; I132-F148 HydrophobicContact CD1-CD2 3.69Å; I132-F148 HydrophobicContact CD1-CE2 3.26Å; I132-F148 HydrophobicContact CD1-CZ 3.97Å; I132-F148 HydrophobicContact CG1-CE2 3.72Å; I132-F148 HydrophobicContact CG1-CZ 3.97Å; I132-F148 HydrophobicContact CG2-CE2 4.32Å; I144-F148 HydrophobicContact CG2-CD2 3.9Å; I144-F148 HydrophobicContact CG2-CE2 4.42Å; I144-F148 WeakPolarHBondContact O-CD2 3.34Å; I144-F148 PolarHBondContact O-N 3.07Å; K145-F148 CarbonylContact O-C 3.56Å; K145-F148 PolarHBondContact O-N 3.09Å; F148-S150 PolarHBondContact O-N 3.42Å; F148-S151 VanDerWaalsContact O-CB 3.24Å; F148-S151 WeakPolarHBondContact O-CB 3.31Å; F148-S151 PolarHBondContact O-N 2.75Å; F148-S151 PolarHBondContact O-OG 3.21Å; F148-F169 HydrophobicContact CB-CE1 4.45Å; F148-F169 HydrophobicContact CB-CZ 4.18Å; F148-F169 HydrophobicContact CD1-CE1 4.43Å; F148-F169 AromaticContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CE1-CZ 4.46Å; F148-F169 HydrophobicContact CG-CZ 4.2Å; F148-A178 HydrophobicContact CD1-CB 3.95Å; F148-A178 HydrophobicContact CE1-CB 4.27Å; F148-V182 HydrophobicContact CD1-CG2 4.04Å; F148-V182 HydrophobicContact CE1-CB 3.98Å; F148-V182 HydrophobicContact CE1-CG1 4.42Å; F148-V182 HydrophobicContact CE1-CG2 3.41Å; F148-V182 VanDerWaalsContact CE1-CG2 3.41Å; F148-V182 HydrophobicContact CE2-CG2 4.44Å; F148-V182 HydrophobicContact CZ-CB 3.95Å; F148-V182 HydrophobicContact CZ-CG1 3.88Å; F148-V182 HydrophobicContact CZ-CG2 3.65Å; F148-T194 HydrophobicContact CZ-CG2 3.86Å
149P91Very high86.7Confident112 Ų11247.8 Ų47.873%0.72726%0.257SS*.THydrogen-bonded Turntrans-65.6-25.6-175.325.1-34.6000113.1K145 L147 S151K145-P149 WeakPolarHBondContact O-CA 3.4Å; K145-P149 VanDerWaalsContact O-N 3.12Å; L147-P149 VanDerWaalsContact C-CD 3.5Å; L147-P149 WeakPolarHBondContact O-CD 3.38Å; P149-S151 VanDerWaalsContact C-N 3.26Å; P149-S151 PolarHBondContact O-N 3.35Å
150S91.3Very high85.2Confident53 Ų5352.9 Ų52.937%0.37129%0.292SS..THydrogen-bonded Turntrans-77.7-7173.654.80000113.8F148 V152 F169F148-S150 PolarHBondContact O-N 3.42Å; S150-V152 PolarHBondContact O-N 2.81Å; S150-F169 WeakPolarHBondContact OG-CE1 3.29Å
151S91.7Very high84.1Confident17 Ų1755.7 Ų55.712%0.11930%0.304CS..  trans-68.2133179.467.80000111.2F148 P149 V154 K168F148-S151 VanDerWaalsContact O-CB 3.24Å; F148-S151 WeakPolarHBondContact O-CB 3.31Å; F148-S151 PolarHBondContact O-N 2.75Å; F148-S151 PolarHBondContact O-OG 3.21Å; P149-S151 VanDerWaalsContact C-N 3.26Å; P149-S151 PolarHBondContact O-N 3.35Å; S151-V154 WeakPolarHBondContact OG-CG2 3.42Å; S151-K168 CarbonylContact C-O 3.04Å; S151-K168 WeakPolarHBondContact CA-O 3.24Å
152V89.2Confident83.4Confident16 Ų1655.8 Ų55.810%0.09731%0.305CS..SBendtrans-74-46.4174-177.30000109.3S150 K168 R170 E289S150-V152 PolarHBondContact O-N 2.81Å; V152-K168 HydrophobicContact CB-CD 3.84Å; V152-K168 HydrophobicContact CG1-CD 4.33Å; V152-K168 HydrophobicContact CG2-CD 4.22Å; V152-K168 PolarHBondContact N-O 2.94Å; V152-R170 HydrophobicContact CG2-CB 4.43Å; V152-R170 HydrophobicContact CG2-CG 3.38Å; V152-E289 HydrophobicContact CG1-CB 3.8Å; V152-E289 HydrophobicContact CG1-CG 3.74Å
153N89.1Confident83.2Confident13 Ų1358.2 Ų58.27%0.0730%0.304CS..EExtended strand (participates in β ladder)trans-142.2140.3-173.8-161.7-94.1000111A167 K168 H230 L231N153-A167 WeakPolarHBondContact O-CA 3.47Å; N153-K168 HydrophobicContact CB-CB 4.37Å; N153-K168 PolarHBondContact N-O 2.64Å; N153-K168 PolarHBondContact O-N 3.45Å; N153-H230 HydrophobicContact CB-CB 4.28Å; N153-L231 PolarHBondContact ND2-O 3.4Å
154V90.2Very high83.2Confident6 Ų659.8 Ų59.84%0.03631%0.31CS..EExtended strand (participates in β ladder)trans-127131176.7178.70000109.7V141 I144 K145 S151 F166 A167V141-V154 HydrophobicContact CG1-CB 3.88Å; V141-V154 HydrophobicContact CG1-CG1 3.89Å; I144-V154 HydrophobicContact CB-CG1 3.82Å; I144-V154 HydrophobicContact CD1-CG1 4.06Å; I144-V154 HydrophobicContact CG2-CB 4.45Å; I144-V154 HydrophobicContact CG2-CG1 3.49Å; I144-V154 VanDerWaalsContact CG2-CG1 3.49Å; I144-V154 HydrophobicContact CG2-CG2 4.09Å; K145-V154 HydrophobicContact CG-CB 4.44Å; K145-V154 HydrophobicContact CG-CG2 3.94Å; S151-V154 WeakPolarHBondContact OG-CG2 3.42Å; V154-F166 CarbonylContact C-O 3.54Å; V154-F166 WeakPolarHBondContact CA-O 3.23Å; V154-A167 HydrophobicContact CG2-CB 4.28Å
155R86.5Confident83.2Confident77 Ų7759.8 Ų59.829%0.29131%0.31SS..EExtended strand (participates in β ladder)trans-128.8126.5-179.2-178.4-177.7173.5-147.41.9111.2A165 F166R155-A165 WeakPolarHBondContact O-CA 3.37Å; R155-F166 PolarHBondContact N-O 3.14Å; R155-F166 PolarHBondContact O-N 3.34Å
156I86.7Confident83.2Confident28 Ų2858.5 Ų58.514%0.14431%0.305CS..  trans-108.2117.9170-52.3-179.2000107.8C139 V141 I144 Q158 A165C139-I156 HydrophobicContact CB-CD1 4.47Å; C139-I156 WeakPolarHBondContact O-CD1 3.33Å; V141-I156 HydrophobicContact CG2-CD1 3.64Å; V141-I156 HydrophobicContact CG2-CG1 3.92Å; I144-I156 HydrophobicContact CD1-CD1 3.54Å; I144-I156 HydrophobicContact CD1-CG1 3.76Å; I156-Q158 PolarHBondContact O-N 2.84Å; I156-A165 HydrophobicContact CG1-CB 3.93Å
157P81.4Confident83.3Confident24 Ų2453 Ų5316%0.15628%0.275CS..  trans-61.9129.4173.1-2234.8000110.5K159 S162 F164 F166P157-K159 VanDerWaalsContact C-N 3.28Å; P157-K159 PolarHBondContact O-N 3.21Å; P157-S162 WeakPolarHBondContact O-CB 3.48Å; P157-S162 PolarHBondContact O-OG 2.93Å; P157-S162 VanDerWaalsContact O-OG 3.07Å; P157-F164 WeakPolarHBondContact CD-O 3.32Å; P157-F164 HydrophobicContact CG-CD2 4.3Å; P157-F164 HydrophobicContact CG-CE2 3.69Å; P157-F164 HydrophobicContact CG-CZ 4.02Å; P157-F166 HydrophobicContact CG-CD2 4.16Å; P157-F166 HydrophobicContact CG-CE2 3.74Å
158Q71Confident83.4Confident99 Ų9952.5 Ų52.546%0.46327%0.272SS..  trans-85.29.6-178.6-79.1-165.4-23.400114.5I156 C160I156-Q158 PolarHBondContact O-N 2.84Å; Q158-C160 PolarHBondContact O-N 3.1Å
159K69.8Low83.4Confident178 Ų17852.4 Ų52.477%0.77427%0.272SS*.SBendtrans-59.2131.2169.7-70.4-175.4179.6-179.20106.8P157 N161 S162P157-K159 VanDerWaalsContact C-N 3.28Å; P157-K159 PolarHBondContact O-N 3.21Å; K159-N161 PolarHBondContact O-N 2.7Å; K159-S162 WeakPolarHBondContact O-CB 3.22Å; K159-S162 PolarHBondContact O-N 3.33Å; K159-S162 PolarHBondContact O-OG 2.76Å
160C50.8Low83.4Confident122 Ų12255 Ų5582%0.82427%0.267SS*.THydrogen-bonded Turntrans-56.61.9-160.4530000117.5Q158Q158-C160 PolarHBondContact O-N 3.1Å
161N63.6Low83.4Confident108 Ų10856.7 Ų56.758%0.57827%0.272SS*.THydrogen-bonded Turntrans-139.924.6177-70.8-43.2000112.6K159 R163K159-N161 PolarHBondContact O-N 2.7Å; N161-R163 PolarHBondContact O-N 2.78Å
162S70.6Confident83.4Confident19 Ų1959.5 Ų59.513%0.13328%0.283CS..  trans-74.295.8-177.3-540000110.2P157 K159 F164P157-S162 WeakPolarHBondContact O-CB 3.48Å; P157-S162 PolarHBondContact O-OG 2.93Å; P157-S162 VanDerWaalsContact O-OG 3.07Å; K159-S162 WeakPolarHBondContact O-CB 3.22Å; K159-S162 PolarHBondContact O-N 3.33Å; K159-S162 PolarHBondContact O-OG 2.76Å; S162-F164 PolarHBondContact O-N 3.37Å
163R84.6Confident83.6Confident122 Ų12264.6 Ų64.646%0.4631%0.31SS..  trans-85.835176.3-53.6-154.1-57.8128.5-1.4112.4L135 N161L135-R163 PolarHBondContact N-O 3.46Å; N161-R163 PolarHBondContact O-N 2.78Å
164F87.4Confident83.9Confident54 Ų5466.8 Ų66.824%0.23732%0.32CS..  trans-151.6155.3-176.166.5-85.4000112.1I132 R133 P157 S162 F166I132-F164 CarbonylContact O-C 3.57Å; I132-F164 WeakPolarHBondContact O-CA 3.44Å; I132-F164 WeakPolarHBondContact O-CB 3.46Å; R133-F164 HydrophobicContact CG-CB 3.56Å; P157-F164 WeakPolarHBondContact CD-O 3.32Å; P157-F164 HydrophobicContact CG-CD2 4.3Å; P157-F164 HydrophobicContact CG-CE2 3.69Å; P157-F164 HydrophobicContact CG-CZ 4.02Å; S162-F164 PolarHBondContact O-N 3.37Å; F164-F166 AromaticContact CD2-CE2 3.97Å; F164-F166 HydrophobicContact CD2-CE2 3.97Å; F164-F166 AromaticContact CD2-CZ 3.97Å; F164-F166 HydrophobicContact CD2-CZ 3.97Å; F164-F166 AromaticContact CE2-CE2 3.56Å; F164-F166 HydrophobicContact CE2-CE2 3.56Å; F164-F166 AromaticContact CE2-CZ 3.58Å; F164-F166 HydrophobicContact CE2-CZ 3.58Å
165A90.2Very high84Confident0 Ų066.5 Ų66.50%032%0.318CS..EExtended strand (participates in β ladder)trans-134.2168.6173.100000111.6T131 I132 L135 I144 R155 I156T131-A165 WeakPolarHBondContact CA-O 3.12Å; I132-A165 PolarHBondContact N-O 2.95Å; I132-A165 PolarHBondContact O-N 2.87Å; L135-A165 HydrophobicContact CD1-CB 3.36Å; I144-A165 HydrophobicContact CD1-CB 3.5Å; I144-A165 VanDerWaalsContact CD1-CB 3.5Å; R155-A165 WeakPolarHBondContact O-CA 3.37Å; I156-A165 HydrophobicContact CG1-CB 3.93Å
166F90.1Very high84.3Confident49 Ų4964.5 Ų64.522%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-118.3127.3173.1-58.8-78.2000109T129 L130 T131 V154 R155 P157 F164 C197T129-F166 HydrophobicContact CG2-CB 3.85Å; T129-F166 HydrophobicContact CG2-CD1 4.17Å; T129-F166 HydrophobicContact CG2-CG 4.46Å; L130-F166 CarbonylContact O-C 3.6Å; L130-F166 VanDerWaalsContact O-CA 3.31Å; L130-F166 WeakPolarHBondContact O-CA 3.24Å; T131-F166 HydrophobicContact CG2-CD1 3.8Å; T131-F166 HydrophobicContact CG2-CE1 3.62Å; V154-F166 CarbonylContact C-O 3.54Å; V154-F166 WeakPolarHBondContact CA-O 3.23Å; R155-F166 PolarHBondContact N-O 3.14Å; R155-F166 PolarHBondContact O-N 3.34Å; P157-F166 HydrophobicContact CG-CD2 4.16Å; P157-F166 HydrophobicContact CG-CE2 3.74Å; F164-F166 AromaticContact CD2-CE2 3.97Å; F164-F166 HydrophobicContact CD2-CE2 3.97Å; F164-F166 AromaticContact CD2-CZ 3.97Å; F164-F166 HydrophobicContact CD2-CZ 3.97Å; F164-F166 AromaticContact CE2-CE2 3.56Å; F164-F166 HydrophobicContact CE2-CE2 3.56Å; F164-F166 AromaticContact CE2-CZ 3.58Å; F164-F166 HydrophobicContact CE2-CZ 3.58Å; F166-C197 VanDerWaalsContact CD1-SG 3.55Å
167A92.7Very high84.7Confident0 Ų066 Ų660%033%0.331CS..EExtended strand (participates in β ladder)trans-115.4123.7171.600000109.2T129 L130 I132 N153 V154 F169T129-A167 CarbonylContact C-O 3.59Å; T129-A167 WeakPolarHBondContact CA-O 3.4Å; L130-A167 PolarHBondContact N-O 3.29Å; L130-A167 PolarHBondContact O-N 3.13Å; I132-A167 HydrophobicContact CD1-CB 3.75Å; N153-A167 WeakPolarHBondContact O-CA 3.47Å; V154-A167 HydrophobicContact CG2-CB 4.28Å; A167-F169 HydrophobicContact CB-CE2 3.98Å; A167-F169 HydrophobicContact CB-CZ 4.22Å
168K91.5Very high85.2Confident4 Ų465.2 Ų65.22%0.01733%0.326CS..EExtended strand (participates in β ladder)trans-98.1135.3178.1-179.7-102.6-174.2172.60110.2H128 S151 V152 N153 S290H128-K168 CarbonylContact O-C 3.56Å; H128-K168 WeakPolarHBondContact O-CA 3.37Å; S151-K168 CarbonylContact C-O 3.04Å; S151-K168 WeakPolarHBondContact CA-O 3.24Å; V152-K168 HydrophobicContact CB-CD 3.84Å; V152-K168 HydrophobicContact CG1-CD 4.33Å; V152-K168 HydrophobicContact CG2-CD 4.22Å; V152-K168 PolarHBondContact N-O 2.94Å; N153-K168 HydrophobicContact CB-CB 4.37Å; N153-K168 PolarHBondContact N-O 2.64Å; N153-K168 PolarHBondContact O-N 3.45Å; K168-S290 PolarHBondContact NZ-OG 3.19Å
169F93Very high86.3Confident0 Ų063 Ų630%032%0.316CS..  trans-109.4168.6177.1-63.2-87.7000110.3H128 L130 F148 S150 A167 E174 L175 A178H128-F169 PolarHBondContact O-N 3.45Å; L130-F169 HydrophobicContact CB-CD2 4.46Å; L130-F169 HydrophobicContact CB-CE2 3.78Å; L130-F169 HydrophobicContact CD2-CE2 4.18Å; F148-F169 HydrophobicContact CB-CE1 4.45Å; F148-F169 HydrophobicContact CB-CZ 4.18Å; F148-F169 HydrophobicContact CD1-CE1 4.43Å; F148-F169 AromaticContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CD1-CZ 3.75Å; F148-F169 HydrophobicContact CE1-CZ 4.46Å; F148-F169 HydrophobicContact CG-CZ 4.2Å; S150-F169 WeakPolarHBondContact OG-CE1 3.29Å; A167-F169 HydrophobicContact CB-CE2 3.98Å; A167-F169 HydrophobicContact CB-CZ 4.22Å; F169-E174 HydrophobicContact CB-CB 4.18Å; F169-E174 HydrophobicContact CD1-CB 4.31Å; F169-L175 HydrophobicContact CB-CB 4.02Å; F169-L175 HydrophobicContact CD2-CB 3.72Å; F169-L175 HydrophobicContact CD2-CD1 3.93Å; F169-L175 HydrophobicContact CD2-CG 3.79Å; F169-L175 HydrophobicContact CE2-CB 4.47Å; F169-L175 HydrophobicContact CE2-CG 4.24Å; F169-L175 HydrophobicContact CG-CB 3.94Å; F169-A178 HydrophobicContact CD1-CB 4.19Å; F169-A178 HydrophobicContact CE1-CB 3.36Å; F169-A178 HydrophobicContact CE2-CB 4.26Å; F169-A178 HydrophobicContact CZ-CB 3.41Å; F169-A178 VanDerWaalsContact CZ-CB 3.41Å
170R90.7Very high87.3Confident165 Ų16562.1 Ų62.162%0.62331%0.312SS*.SBendtrans-71.6-47.3178.8-64.1177.1171.5165.1-2.2110.5V152 E174V152-R170 HydrophobicContact CG2-CB 4.43Å; V152-R170 HydrophobicContact CG2-CG 3.38Å; R170-E174 WeakPolarHBondContact CB-OE2 3.48Å; R170-E174 PolarHBondContact N-OE2 3.48Å
171N91.6Very high89.3Confident89 Ų8959.9 Ų59.948%0.47630%0.298SS..SBendtrans-132.3162.7-174.9-60.43.2000110.2D173 E174 L175N171-D173 VanDerWaalsContact C-N 3.29Å; N171-D173 PolarHBondContact O-N 2.82Å; N171-E174 PolarHBondContact O-N 2.98Å; N171-L175 PolarHBondContact O-N 2.87Å
172H91.2Very high90.5Very high76 Ų7654.8 Ų54.835%0.35227%0.27SS..Hα-helixtrans-59.1-37.7175.3-173.766.9000112.9Q127 E174 L175 V176Q127-H172 PolarHBondContact O-ND1 2.8Å; H172-E174 PolarHBondContact O-N 3.3Å; H172-L175 WeakPolarHBondContact O-CB 2.95Å; H172-L175 PolarHBondContact O-N 2.84Å; H172-L175 VanDerWaalsContact O-N 3.14Å; H172-V176 WeakPolarHBondContact O-CG2 2.81Å; H172-V176 PolarHBondContact O-N 3.38Å
173D93.4Very high91.2Very high123 Ų12358 Ų5866%0.65829%0.293SS*.Hα-helixtrans-63.2-42.1-179.6-58.5-38.8000112.8N171 L175 V176 A177N171-D173 VanDerWaalsContact C-N 3.29Å; N171-D173 PolarHBondContact O-N 2.82Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.98Å; D173-V176 PolarHBondContact O-N 3.23Å; D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.39Å
174E94.1Very high91Very high59 Ų5954.3 Ų54.328%0.27629%0.293SS..Hα-helixtrans-63.7-37.3175.2-71.5-176.2178.900111.3F169 R170 N171 H172 A178F169-E174 HydrophobicContact CB-CB 4.18Å; F169-E174 HydrophobicContact CD1-CB 4.31Å; R170-E174 WeakPolarHBondContact CB-OE2 3.48Å; R170-E174 PolarHBondContact N-OE2 3.48Å; N171-E174 PolarHBondContact O-N 2.98Å; H172-E174 PolarHBondContact O-N 3.3Å; E174-A178 VanDerWaalsContact O-CB 3.22Å; E174-A178 WeakPolarHBondContact O-CB 2.73Å; E174-A178 PolarHBondContact O-N 3.44Å
175L93.4Very high91Very high0 Ų054 Ų540%029%0.292CS..Hα-helixtrans-64.5-46.6176.3-177.9153.6000111.1Q127 T129 L130 F169 N171 H172 D173 A177 A178 Q179 I196Q127-L175 WeakPolarHBondContact O-CD1 3.39Å; T129-L175 VanDerWaalsContact C-CD1 3.48Å; L130-L175 HydrophobicContact CB-CD1 4.17Å; L130-L175 HydrophobicContact CB-CG 4.25Å; L130-L175 HydrophobicContact CD1-CD2 4Å; L130-L175 HydrophobicContact CD1-CG 4.32Å; F169-L175 HydrophobicContact CB-CB 4.02Å; F169-L175 HydrophobicContact CD2-CB 3.72Å; F169-L175 HydrophobicContact CD2-CD1 3.93Å; F169-L175 HydrophobicContact CD2-CG 3.79Å; F169-L175 HydrophobicContact CE2-CB 4.47Å; F169-L175 HydrophobicContact CE2-CG 4.24Å; F169-L175 HydrophobicContact CG-CB 3.94Å; N171-L175 PolarHBondContact O-N 2.87Å; H172-L175 WeakPolarHBondContact O-CB 2.95Å; H172-L175 PolarHBondContact O-N 2.84Å; H172-L175 VanDerWaalsContact O-N 3.14Å; D173-L175 VanDerWaalsContact C-N 3.29Å; D173-L175 PolarHBondContact O-N 2.98Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-A178 PolarHBondContact O-N 2.92Å; L175-Q179 WeakPolarHBondContact O-CB 3.35Å; L175-Q179 PolarHBondContact O-N 3.47Å; L175-I196 HydrophobicContact CD1-CG2 4.48Å; L175-I196 HydrophobicContact CD2-CB 4.46Å; L175-I196 HydrophobicContact CD2-CD1 3.74Å; L175-I196 HydrophobicContact CD2-CG1 3.72Å; L175-I196 HydrophobicContact CD2-CG2 4.31Å
176V93Very high90.8Very high36 Ų3657.2 Ų57.222%0.21831%0.308CS..Hα-helixtrans-64.6-41178.6173.40000110.8H172 D173 Q179 K180H172-V176 WeakPolarHBondContact O-CG2 2.81Å; H172-V176 PolarHBondContact O-N 3.38Å; D173-V176 PolarHBondContact O-N 3.23Å; V176-Q179 PolarHBondContact O-N 3.27Å; V176-K180 HydrophobicContact CG1-CD 4.28Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.07Å
177A94Very high90.4Very high59 Ų5955.2 Ų55.249%0.48830%0.3SS..Hα-helixtrans-61.5-44.7174.500000111.8D173 L175 K180 S181D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.39Å; L175-A177 VanDerWaalsContact C-N 3.35Å; A177-K180 PolarHBondContact O-N 2.83Å; A177-S181 WeakPolarHBondContact O-CB 3.28Å; A177-S181 PolarHBondContact O-N 3.3Å
178A93.5Very high89.8Confident7 Ų759.2 Ų59.26%0.05832%0.321CS..Hα-helixtrans-63.6-40.817600000112.7F148 F169 E174 L175 S181 V182F148-A178 HydrophobicContact CD1-CB 3.95Å; F148-A178 HydrophobicContact CE1-CB 4.27Å; F169-A178 HydrophobicContact CD1-CB 4.19Å; F169-A178 HydrophobicContact CE1-CB 3.36Å; F169-A178 HydrophobicContact CE2-CB 4.26Å; F169-A178 HydrophobicContact CZ-CB 3.41Å; F169-A178 VanDerWaalsContact CZ-CB 3.41Å; E174-A178 VanDerWaalsContact O-CB 3.22Å; E174-A178 WeakPolarHBondContact O-CB 2.73Å; E174-A178 PolarHBondContact O-N 3.44Å; L175-A178 PolarHBondContact O-N 2.92Å; A178-S181 PolarHBondContact O-N 3.33Å; A178-V182 PolarHBondContact O-N 3.08Å
179Q92.6Very high89.3Confident54 Ų5464.6 Ų64.625%0.25236%0.359SS..Hα-helixtrans-60.3-47.2175.9-168.4-176.81500111L130 L175 V176 S181 V182 S183 T194L130-Q179 HydrophobicContact CD1-CB 4.23Å; L130-Q179 HydrophobicContact CD1-CG 4.12Å; L175-Q179 WeakPolarHBondContact O-CB 3.35Å; L175-Q179 PolarHBondContact O-N 3.47Å; V176-Q179 PolarHBondContact O-N 3.27Å; Q179-S181 PolarHBondContact O-N 2.98Å; Q179-V182 PolarHBondContact O-N 3.48Å; Q179-S183 PolarHBondContact O-N 2.93Å; Q179-S183 VanDerWaalsContact O-N 3.15Å; Q179-T194 WeakPolarHBondContact CG-OG1 3.41Å; Q179-T194 PolarHBondContact NE2-O 3.3Å
180K92.2Very high89Confident159 Ų15970 Ų7069%0.69138%0.383SS*.Hα-helixtrans-63.5-38.5176.9-71.6174.2-178.9177.30112.5V176 A177 V182V176-K180 HydrophobicContact CG1-CD 4.28Å; V176-K180 WeakPolarHBondContact O-CG 3.21Å; V176-K180 PolarHBondContact O-N 3.07Å; A177-K180 PolarHBondContact O-N 2.83Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.93Å
181S90.9Very high88.9Confident74 Ų7467.1 Ų67.152%0.51738%0.376SS..Hα-helixtrans-67.8-29-178.9-176.30000113.8A177 A178 Q179 K185A177-S181 WeakPolarHBondContact O-CB 3.28Å; A177-S181 PolarHBondContact O-N 3.3Å; A178-S181 PolarHBondContact O-N 3.33Å; Q179-S181 PolarHBondContact O-N 2.98Å; S181-K185 VanDerWaalsContact O-CE 3.25Å; S181-K185 WeakPolarHBondContact O-CE 3.48Å
182V89.6Confident88.8Confident1 Ų163 Ų631%0.00636%0.355CS..Hα-helixtrans-99.4-14.4-177178.90000113F148 A178 Q179 K180 G184 K185 I192 T194F148-V182 HydrophobicContact CD1-CG2 4.04Å; F148-V182 HydrophobicContact CE1-CB 3.98Å; F148-V182 HydrophobicContact CE1-CG1 4.42Å; F148-V182 HydrophobicContact CE1-CG2 3.41Å; F148-V182 VanDerWaalsContact CE1-CG2 3.41Å; F148-V182 HydrophobicContact CE2-CG2 4.44Å; F148-V182 HydrophobicContact CZ-CB 3.95Å; F148-V182 HydrophobicContact CZ-CG1 3.88Å; F148-V182 HydrophobicContact CZ-CG2 3.65Å; A178-V182 PolarHBondContact O-N 3.08Å; Q179-V182 PolarHBondContact O-N 3.48Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.93Å; V182-G184 PolarHBondContact O-N 2.99Å; V182-K185 HydrophobicContact CG1-CB 4.31Å; V182-K185 HydrophobicContact CG2-CD 4.5Å; V182-K185 WeakPolarHBondContact O-CB 3.36Å; V182-K185 PolarHBondContact O-N 3.07Å; V182-I192 HydrophobicContact CG1-CB 4Å; V182-I192 HydrophobicContact CG1-CD1 3.77Å; V182-I192 HydrophobicContact CG1-CG2 3.86Å; V182-T194 HydrophobicContact CB-CG2 4.5Å; V182-T194 HydrophobicContact CG1-CG2 4.23Å
183S85.6Confident88.6Confident87 Ų8766 Ų6661%0.60837%0.366SS*.THydrogen-bonded Turntrans-53.7124.5173.5-166.80000110.9Q179Q179-S183 PolarHBondContact O-N 2.93Å; Q179-S183 VanDerWaalsContact O-N 3.15Å
184G81.1Confident88.4Confident45 Ų4560.9 Ų60.946%0.46434%0.34SS..THydrogen-bonded Turntrans85.9-7.8-176.300000116.1V182 E191V182-G184 PolarHBondContact O-N 2.99Å; G184-E191 WeakPolarHBondContact CA-OE1 3.44Å; G184-E191 PolarHBondContact N-OE1 2.88Å
185K87.7Confident88.2Confident48 Ų4862 Ų6221%0.20935%0.345CS..  trans-73142.1175.3-67.7-169.3175.6178.40111S181 V182 I192 L388 E390S181-K185 VanDerWaalsContact O-CE 3.25Å; S181-K185 WeakPolarHBondContact O-CE 3.48Å; V182-K185 HydrophobicContact CG1-CB 4.31Å; V182-K185 HydrophobicContact CG2-CD 4.5Å; V182-K185 WeakPolarHBondContact O-CB 3.36Å; V182-K185 PolarHBondContact O-N 3.07Å; K185-I192 HydrophobicContact CB-CD1 4.22Å; K185-I192 WeakPolarHBondContact O-CG1 3.36Å; K185-I192 PolarHBondContact O-N 3.04Å; K185-L388 HydrophobicContact CB-CD2 4.38Å; K185-L388 HydrophobicContact CD-CD2 4.44Å; K185-E390 WeakPolarHBondContact CE-OE1 3.39Å; K185-E390 IonicContact NZ-OE1 2.66Å
186L84.8Confident87.9Confident66 Ų6664.7 Ų64.735%0.34636%0.359SS..EExtended strand (participates in β ladder)trans-100132.1178.5-61.2177.8000110.7K190 E191 L388L186-K190 CarbonylContact C-O 3.59Å; L186-K190 WeakPolarHBondContact CA-O 3.49Å; L186-E191 HydrophobicContact CD2-CB 4Å; L186-L388 WeakPolarHBondContact O-CD2 3.5Å
187L82.6Confident87.4Confident8 Ų863.6 Ų63.64%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-119.8116.2168.3-174.164.7000108.5L135 P136 L143 S189 K190 I192L135-L187 HydrophobicContact CD2-CD2 3.49Å; L135-L187 VanDerWaalsContact CD2-CD2 3.49Å; P136-L187 VanDerWaalsContact CD-CD2 3.5Å; P136-L187 HydrophobicContact CG-CD2 4.21Å; P136-L187 HydrophobicContact CG-CG 4.1Å; L143-L187 HydrophobicContact CD2-CD1 3.8Å; L143-L187 HydrophobicContact CG-CD1 4.43Å; L187-S189 VanDerWaalsContact C-N 3.34Å; L187-S189 PolarHBondContact O-N 2.89Å; L187-K190 PolarHBondContact N-O 2.89Å; L187-K190 PolarHBondContact O-N 2.95Å; L187-K190 VanDerWaalsContact O-N 3.15Å; L187-I192 HydrophobicContact CB-CD1 3.83Å; L187-I192 HydrophobicContact CB-CG1 3.62Å
188N78.6Confident86Confident83 Ų8363 Ų6344%0.44435%0.345SS..THydrogen-bonded Turntrans51.949-173.5-67.434.9000112.8P136 K190 Y386P136-N188 HydrophobicContact CG-CB 4.29Å; N188-K190 PolarHBondContact O-N 2.92Å; N188-K190 VanDerWaalsContact O-N 3.1Å; N188-Y386 VanDerWaalsContact OD1-CD1 3.31Å; N188-Y386 WeakPolarHBondContact OD1-CD1 3.43Å; N188-Y386 WeakPolarHBondContact OD1-CE1 3.4Å
189S82.4Confident84.5Confident117 Ų11765.1 Ų65.182%0.81836%0.355SS*.THydrogen-bonded Turntrans62.814.3179.8-43.70000114.7L187L187-S189 VanDerWaalsContact C-N 3.34Å; L187-S189 PolarHBondContact O-N 2.89Å
190K85.7Confident82.7Confident114 Ų11469.3 Ų69.350%0.49637%0.374SS..EExtended strand (participates in β ladder)trans-119.4135.1174.4-64-175.3-178.3-174.20109.4P134 L186 L187 N188 I192P134-K190 HydrophobicContact CG-CB 3.88Å; P134-K190 HydrophobicContact CG-CD 4.08Å; L186-K190 CarbonylContact C-O 3.59Å; L186-K190 WeakPolarHBondContact CA-O 3.49Å; L187-K190 PolarHBondContact N-O 2.89Å; L187-K190 PolarHBondContact O-N 2.95Å; L187-K190 VanDerWaalsContact O-N 3.15Å; N188-K190 PolarHBondContact O-N 2.92Å; N188-K190 VanDerWaalsContact O-N 3.1Å; K190-I192 PolarHBondContact O-N 3.33Å
191E88.7Confident81.2Confident104 Ų10462.1 Ų62.149%0.48635%0.345SS..EExtended strand (participates in β ladder)trans-65.2132.2176.6-169.8178.3-174.800110.9P134 G184 L186 K193P134-E191 VanDerWaalsContact CD-O 3.24Å; P134-E191 WeakPolarHBondContact CD-O 3.35Å; G184-E191 WeakPolarHBondContact CA-OE1 3.44Å; G184-E191 PolarHBondContact N-OE1 2.88Å; L186-E191 HydrophobicContact CD2-CB 4Å; E191-K193 PolarHBondContact O-N 2.8Å
192I89.4Confident79.8Confident4 Ų460.8 Ų60.82%0.02134%0.335CS..  trans-75.8113.8175.5-54.6171.7000108I132 R133 L147 V182 K185 L187 K190 T194I132-I192 HydrophobicContact CG2-CG2 3.59Å; R133-I192 CarbonylContact O-C 3.57Å; L147-I192 HydrophobicContact CD1-CD1 3.95Å; L147-I192 HydrophobicContact CD2-CD1 4.3Å; V182-I192 HydrophobicContact CG1-CB 4Å; V182-I192 HydrophobicContact CG1-CD1 3.77Å; V182-I192 HydrophobicContact CG1-CG2 3.86Å; K185-I192 HydrophobicContact CB-CD1 4.22Å; K185-I192 WeakPolarHBondContact O-CG1 3.36Å; K185-I192 PolarHBondContact O-N 3.04Å; L187-I192 HydrophobicContact CB-CD1 3.83Å; L187-I192 HydrophobicContact CB-CG1 3.62Å; K190-I192 PolarHBondContact O-N 3.33Å; I192-T194 HydrophobicContact CG2-CG2 3.96Å
193K88Confident78.3Confident137 Ų13767 Ų6760%0.59637%0.368SS*.EExtended strand (participates in β ladder)trans-86.4123.8165.1-60.2-171.7177.3-170.20109.8R133 E191R133-K193 PolarHBondContact N-O 3.26Å; R133-K193 CarbonylContact O-C 3.51Å; R133-K193 VanDerWaalsContact O-CA 3.31Å; R133-K193 WeakPolarHBondContact O-CA 3.32Å; R133-K193 WeakPolarHBondContact O-CB 3.47Å; R133-K193 PolarHBondContact O-N 3.4Å; E191-K193 PolarHBondContact O-N 2.8Å
194T89.6Confident77.1Confident16 Ų1670.1 Ų70.110%0.09838%0.378CS..EExtended strand (participates in β ladder)trans-117122.3176.848.20000109.5L130 T131 I132 F148 Q179 V182 I192L130-T194 HydrophobicContact CD2-CG2 3.85Å; L130-T194 HydrophobicContact CG-CG2 4.41Å; T131-T194 WeakPolarHBondContact O-CA 3.46Å; I132-T194 HydrophobicContact CG1-CG2 4.41Å; F148-T194 HydrophobicContact CZ-CG2 3.86Å; Q179-T194 WeakPolarHBondContact CG-OG1 3.41Å; Q179-T194 PolarHBondContact NE2-O 3.3Å; V182-T194 HydrophobicContact CB-CG2 4.5Å; V182-T194 HydrophobicContact CG1-CG2 4.23Å; I192-T194 HydrophobicContact CG2-CG2 3.96Å
195E88.7Confident76.2Confident84 Ų8470.7 Ų70.739%0.39337%0.372SS..EExtended strand (participates in β ladder)trans-127.4133.1179.2-69.6165.5-172.300108.5T131 R133 C197T131-E195 WeakPolarHBondContact CA-O 3.48Å; T131-E195 PolarHBondContact N-O 3.15Å; T131-E195 PolarHBondContact O-N 3.04Å; T131-E195 WeakPolarHBondContact OG1-CB 3.28Å; T131-E195 PolarHBondContact OG1-O 3.2Å; R133-E195 IonicContact NH1-OE2 2.69Å; E195-C197 PolarHBondContact O-N 3.29Å
196I87.7Confident75.1Confident55 Ų5572.8 Ų72.828%0.28239%0.385SS..EExtended strand (participates in β ladder)trans-55.7133169.4-44.7-164.9000107L175 S198L175-I196 HydrophobicContact CD1-CG2 4.48Å; L175-I196 HydrophobicContact CD2-CB 4.46Å; L175-I196 HydrophobicContact CD2-CD1 3.74Å; L175-I196 HydrophobicContact CD2-CG1 3.72Å; L175-I196 HydrophobicContact CD2-CG2 4.31Å; I196-S198 PolarHBondContact O-N 3.16Å
197C81.1Confident74Confident13 Ų1378.5 Ų78.59%0.08841%0.407CS..  trans-47107.6179.9-87.90000109.4Y126 T129 T131 F166 E195 L199Y126-C197 HydrophobicContact CD1-CB 4.32Å; Y126-C197 HydrophobicContact CG-CB 4.33Å; T129-C197 WeakPolarHBondContact CG2-SG 3.5Å; T129-C197 VanDerWaalsContact O-CB 3.28Å; T129-C197 WeakPolarHBondContact O-CB 3.36Å; T129-C197 PolarHBondContact O-N 3.16Å; T129-C197 PolarHBondContact O-SG 3.01Å; T129-C197 VanDerWaalsContact O-SG 3.4Å; T131-C197 HydrophobicContact CG2-CB 4.29Å; T131-C197 WeakPolarHBondContact CG2-SG 3.24Å; F166-C197 VanDerWaalsContact CD1-SG 3.55Å; E195-C197 PolarHBondContact O-N 3.29Å; C197-L199 PolarHBondContact O-N 3.4Å
198S65.9Low73.1Confident47 Ų4785.8 Ų85.833%0.32945%0.446SS..  trans-66.1133.9-170.156.80000108.8I196 H200 G201I196-S198 PolarHBondContact O-N 3.16Å; S198-H200 PolarHBondContact O-N 3.03Å; S198-H200 VanDerWaalsContact O-N 3.09Å; S198-G201 PolarHBondContact O-N 3.05Å; S198-G201 PolarHBondContact OG-N 3.04Å; S198-G201 PolarHBondContact OG-O 2.8Å
199L60.7Low72.8Confident51 Ų5188.5 Ų88.527%0.26745%0.454SS..THydrogen-bonded Turntrans-55.2-19.1162.5-78.8168.3000111.3V123 Y126 C197 W210 E212 P213V123-L199 HydrophobicContact CG2-CD2 4.03Å; Y126-L199 HydrophobicContact CD2-CD2 4.29Å; C197-L199 PolarHBondContact O-N 3.4Å; L199-W210 WeakPolarHBondContact O-CH2 3.45Å; L199-W210 WeakPolarHBondContact O-CZ2 3.3Å; L199-E212 WeakPolarHBondContact O-CG 3.34Å; L199-P213 HydrophobicContact CD2-CB 4.31Å; L199-P213 HydrophobicContact CD2-CG 3.85Å
200H56.6Low72.4Confident143 Ų14385.3 Ų85.366%0.66243%0.425SS*.THydrogen-bonded Turntrans-96.12.8-173.8-57.694000115.5S198 W210S198-H200 PolarHBondContact O-N 3.03Å; S198-H200 VanDerWaalsContact O-N 3.09Å; H200-W210 VanDerWaalsContact C-CH2 3.42Å; H200-W210 VanDerWaalsContact CA-CH2 3.47Å
201G60Low72.1Confident7 Ų782.1 Ų82.17%0.07242%0.415CS..  trans81.5174.6176.600000115.2S198 W210S198-G201 PolarHBondContact O-N 3.05Å; S198-G201 PolarHBondContact OG-N 3.04Å; S198-G201 PolarHBondContact OG-O 2.8Å; G201-W210 VanDerWaalsContact N-CZ2 3.27Å
202P60.7Low71.8Confident47 Ų4778.6 Ų78.631%0.30540%0.398SS..  trans-73.8135.7180-3.920.5000110.2N204 V205P202-N204 PolarHBondContact O-N 3.12Å; P202-V205 HydrophobicContact CB-CG2 4.01Å; P202-V205 HydrophobicContact CG-CB 4.44Å; P202-V205 HydrophobicContact CG-CG2 3.62Å; P202-V205 PolarHBondContact O-N 3.02Å
203D57.8Low71.6Confident132 Ų13278.4 Ų78.471%0.70640%0.397SS*.THydrogen-bonded Turntrans-51.3-26.7178.4-53-37.5000114.1
204N60.8Low71.5Confident152 Ų15276 Ų7681%0.81339%0.391SS*.THydrogen-bonded Turntrans-92.46.2-176.7-59.5-48.5000114.4P202P202-N204 PolarHBondContact O-N 3.12Å
205V62.2Low71.5Confident56 Ų5681.2 Ų81.234%0.33941%0.414SS..SBendtrans-102.7129.7173.2-177.50000107.7P202 K207 K209 W210P202-V205 HydrophobicContact CB-CG2 4.01Å; P202-V205 HydrophobicContact CG-CB 4.44Å; P202-V205 HydrophobicContact CG-CG2 3.62Å; P202-V205 PolarHBondContact O-N 3.02Å; V205-K207 PolarHBondContact O-N 3.34Å; V205-K209 HydrophobicContact CG1-CB 3.93Å; V205-W210 HydrophobicContact CB-CB 4.29Å; V205-W210 HydrophobicContact CG1-CB 3.73Å
206D64.2Low71.5Confident92 Ų9278.1 Ų78.149%0.49240%0.398SS..  trans-45.8122.5170.2-57.5-34000107.8N208 K209 W210D206-N208 PolarHBondContact O-N 3.45Å; D206-K209 HydrophobicContact CB-CB 4.38Å; D206-K209 HydrophobicContact CB-CD 4.18Å; D206-K209 HydrophobicContact CB-CG 4.21Å; D206-K209 PolarHBondContact O-N 3.12Å; D206-K209 WeakPolarHBondContact OD2-CD 3.44Å; D206-K209 VanDerWaalsContact OD2-CE 3.28Å; D206-K209 WeakPolarHBondContact OD2-CE 3.36Å; D206-K209 IonicContact OD2-NZ 3.86Å; D206-K209 PolarHBondContact OD2-NZ 3.38Å; D206-W210 PolarHBondContact O-N 3.06Å
207K63.1Low71.7Confident186 Ų18678.3 Ų78.381%0.80940%0.402SS*.THydrogen-bonded Turntrans-51.9-24.9-180-65.3-177.7-179.3-1780111.7V205 W210V205-K207 PolarHBondContact O-N 3.34Å; K207-W210 VanDerWaalsContact O-O 3.05Å
208N63.8Low72.2Confident161 Ų16179.2 Ų79.286%0.86141%0.406SS*.THydrogen-bonded Turntrans-75.1-17.6177-57.81.7000114.7D206D206-N208 PolarHBondContact O-N 3.45Å
209K72.3Confident73.4Confident141 Ų14180.9 Ų80.961%0.61342%0.418SS*.THydrogen-bonded Turntrans-100.7-23.9-179.4-76176.5-177.2151.10113.1V205 D206V205-K209 HydrophobicContact CG1-CB 3.93Å; D206-K209 HydrophobicContact CB-CB 4.38Å; D206-K209 HydrophobicContact CB-CD 4.18Å; D206-K209 HydrophobicContact CB-CG 4.21Å; D206-K209 PolarHBondContact O-N 3.12Å; D206-K209 WeakPolarHBondContact OD2-CD 3.44Å; D206-K209 VanDerWaalsContact OD2-CE 3.28Å; D206-K209 WeakPolarHBondContact OD2-CE 3.36Å; D206-K209 IonicContact OD2-NZ 3.86Å; D206-K209 PolarHBondContact OD2-NZ 3.38Å
210W73.1Confident74.8Confident50 Ų5080.7 Ų80.719%0.18942%0.417CS..  trans-98.1140.2178.1174100.9000108.8L199 H200 G201 V205 D206 K207 E212L199-W210 WeakPolarHBondContact O-CH2 3.45Å; L199-W210 WeakPolarHBondContact O-CZ2 3.3Å; H200-W210 VanDerWaalsContact C-CH2 3.42Å; H200-W210 VanDerWaalsContact CA-CH2 3.47Å; G201-W210 VanDerWaalsContact N-CZ2 3.27Å; V205-W210 HydrophobicContact CB-CB 4.29Å; V205-W210 HydrophobicContact CG1-CB 3.73Å; D206-W210 PolarHBondContact O-N 3.06Å; K207-W210 VanDerWaalsContact O-O 3.05Å; W210-E212 HydrophobicContact CH2-CB 3.29Å; W210-E212 HydrophobicContact CH2-CG 3.84Å; W210-E212 VanDerWaalsContact CZ2-CA 3.41Å; W210-E212 HydrophobicContact CZ2-CB 4.16Å; W210-E212 HydrophobicContact CZ3-CB 3.77Å
211T80.4Confident76.5Confident47 Ų4774 Ų7429%0.28839%0.386SS..  trans-126.8129.4179.2-47.10000109.3Q215 R216T211-Q215 HydrophobicContact CG2-CB 4.01Å; T211-R216 HydrophobicContact CG2-CG 3.75Å; T211-R216 PolarHBondContact O-NE 2.86Å; T211-R216 PolarHBondContact O-NH2 2.88Å
212E81.7Confident78.2Confident29 Ų2976 Ų7614%0.13640%0.395CS..  trans-58.6142.3178.9-170.1162.5-164.700111.8L199 W210 L214 Q215 R216L199-E212 WeakPolarHBondContact O-CG 3.34Å; W210-E212 HydrophobicContact CH2-CB 3.29Å; W210-E212 HydrophobicContact CH2-CG 3.84Å; W210-E212 VanDerWaalsContact CZ2-CA 3.41Å; W210-E212 HydrophobicContact CZ2-CB 4.16Å; W210-E212 HydrophobicContact CZ3-CB 3.77Å; E212-L214 PolarHBondContact O-N 2.92Å; E212-L214 VanDerWaalsContact O-N 3.16Å; E212-Q215 HydrophobicContact CB-CB 4.03Å; E212-Q215 HydrophobicContact CB-CG 3.84Å; E212-Q215 PolarHBondContact O-N 3.45Å; E212-Q215 PolarHBondContact OE2-NE2 2.88Å; E212-R216 WeakPolarHBondContact O-CG 3.47Å; E212-R216 PolarHBondContact O-N 3.36Å; E212-R216 VanDerWaalsContact O-N 3.12Å
213P85Confident79.8Confident0 Ų075.1 Ų75.10%039%0.387CS..G310 helixtrans-47.1-46.2176.1-33.940.8000113.1R119 L122 V123 Y126 L199 Q215 R216R119-P213 WeakPolarHBondContact CG-O 3.4Å; L122-P213 HydrophobicContact CB-CB 3.82Å; L122-P213 HydrophobicContact CB-CG 4.23Å; L122-P213 HydrophobicContact CD1-CB 4.26Å; V123-P213 HydrophobicContact CG2-CB 4.11Å; Y126-P213 HydrophobicContact CD2-CG 3.59Å; Y126-P213 HydrophobicContact CE2-CG 3.23Å; L199-P213 HydrophobicContact CD2-CB 4.31Å; L199-P213 HydrophobicContact CD2-CG 3.85Å; P213-Q215 VanDerWaalsContact C-N 3.34Å; P213-Q215 PolarHBondContact O-N 3.26Å; P213-R216 PolarHBondContact O-N 3.39Å
214L87.1Confident81.6Confident88 Ų8874.6 Ų74.646%0.46138%0.375SS..G310 helixtrans-71.3-26.8-178.1-62.2178.2000113.4R119 V123 E212R119-L214 HydrophobicContact CB-CD2 4.42Å; R119-L214 VanDerWaalsContact CZ-O 3.27Å; R119-L214 PolarHBondContact NE-O 3.25Å; R119-L214 VanDerWaalsContact NE-O 3.12Å; R119-L214 PolarHBondContact NH2-O 2.94Å; V123-L214 HydrophobicContact CG2-CD2 3.89Å; V123-L214 HydrophobicContact CG2-CG 4.26Å; E212-L214 PolarHBondContact O-N 2.92Å; E212-L214 VanDerWaalsContact O-N 3.16Å
215Q87.6Confident83.3Confident124 Ų12467.8 Ų67.858%0.57934%0.34SS*.G310 helixtrans-86-13.5-179.7-63.9176.31900113.2T211 E212 P213T211-Q215 HydrophobicContact CG2-CB 4.01Å; E212-Q215 HydrophobicContact CB-CB 4.03Å; E212-Q215 HydrophobicContact CB-CG 3.84Å; E212-Q215 PolarHBondContact O-N 3.45Å; E212-Q215 PolarHBondContact OE2-NE2 2.88Å; P213-Q215 VanDerWaalsContact C-N 3.34Å; P213-Q215 PolarHBondContact O-N 3.26Å
216R89Confident84.9Confident19 Ų1965.1 Ų65.17%0.07232%0.323CS..  trans-66.3147-179.7-75.3175.3-171.5-160-3.9112.3R119 T211 E212 P213 D220 F221 L297R119-R216 VanDerWaalsContact CZ-O 3.25Å; R119-R216 PolarHBondContact NE-O 3.33Å; R119-R216 PolarHBondContact NH2-O 2.74Å; T211-R216 HydrophobicContact CG2-CG 3.75Å; T211-R216 PolarHBondContact O-NE 2.86Å; T211-R216 PolarHBondContact O-NH2 2.88Å; E212-R216 WeakPolarHBondContact O-CG 3.47Å; E212-R216 PolarHBondContact O-N 3.36Å; E212-R216 VanDerWaalsContact O-N 3.12Å; P213-R216 PolarHBondContact O-N 3.39Å; R216-D220 WeakPolarHBondContact CA-OD2 3.06Å; R216-F221 HydrophobicContact CB-CE2 3.86Å; R216-F221 HydrophobicContact CB-CZ 4.09Å; R216-F221 HydrophobicContact CG-CZ 4.47Å; R216-L297 VanDerWaalsContact CZ-CD2 3.48Å; R216-L297 VanDerWaalsContact NH1-CD2 3.27Å
217T92.2Very high86.4Confident60 Ų6062.6 Ų62.637%0.36831%0.309SS..  trans-110.1166.4174.367.50000110.2S219 D220 F221T217-S219 PolarHBondContact O-N 3.02Å; T217-S219 VanDerWaalsContact O-N 3.16Å; T217-S219 PolarHBondContact OG1-N 2.86Å; T217-S219 PolarHBondContact OG1-OG 3.32Å; T217-D220 PolarHBondContact N-OD2 3.44Å; T217-D220 WeakPolarHBondContact O-CB 3.36Å; T217-D220 PolarHBondContact O-N 3.21Å; T217-D220 VanDerWaalsContact O-N 3.16Å; T217-D220 PolarHBondContact OG1-OD2 2.77Å; T217-F221 VanDerWaalsContact O-CD2 3.23Å; T217-F221 WeakPolarHBondContact O-CD2 3.45Å; T217-F221 WeakPolarHBondContact O-CE2 3.24Å
218L91.7Very high88Confident31 Ų3153.8 Ų53.816%0.16227%0.27CS..G310 helixtrans-59.8-26.1174.9-69.8179.4000112.8D111 L114 L115 I118 D220 F221 M223D111-L218 HydrophobicContact CB-CD1 3.57Å; L114-L218 HydrophobicContact CD2-CD2 4.29Å; L114-L218 HydrophobicContact CG-CD2 4.27Å; L115-L218 HydrophobicContact CB-CD2 3.96Å; L115-L218 HydrophobicContact CB-CG 4.08Å; L115-L218 HydrophobicContact CD1-CD2 3.91Å; L115-L218 HydrophobicContact CD1-CG 4.07Å; L115-L218 HydrophobicContact CG-CD2 4.49Å; L115-L218 HydrophobicContact CG-CG 4.45Å; I118-L218 HydrophobicContact CD1-CD2 3.9Å; L218-D220 PolarHBondContact O-N 3.38Å; L218-F221 PolarHBondContact O-N 3Å; L218-F221 VanDerWaalsContact O-N 3.15Å; L218-M223 HydrophobicContact CB-CE 4.34Å; L218-M223 HydrophobicContact CD2-CE 3.91Å; L218-M223 HydrophobicContact CD2-SD 4.32Å; L218-M223 WeakPolarHBondContact O-CE 3.43Å
219S90.7Very high89.4Confident82 Ų8247 Ų4757%0.57323%0.234SC*.G310 helixtrans-63.6-28.7179.576.10000112.8T217 F221 K298T217-S219 PolarHBondContact O-N 3.02Å; T217-S219 VanDerWaalsContact O-N 3.16Å; T217-S219 PolarHBondContact OG1-N 2.86Å; T217-S219 PolarHBondContact OG1-OG 3.32Å; S219-F221 PolarHBondContact O-N 3.16Å; S219-K298 WeakPolarHBondContact O-CD 3.33Å; S219-K298 PolarHBondContact O-NZ 3.16Å
220D90.4Very high90.2Very high48 Ų4841.1 Ų41.126%0.25721%0.208SC..G310 helixtrans-69.7-18.1178.6-60.9-44.5000112.7R216 T217 L218 L297 K298R216-D220 WeakPolarHBondContact CA-OD2 3.06Å; T217-D220 PolarHBondContact N-OD2 3.44Å; T217-D220 WeakPolarHBondContact O-CB 3.36Å; T217-D220 PolarHBondContact O-N 3.21Å; T217-D220 VanDerWaalsContact O-N 3.16Å; T217-D220 PolarHBondContact OG1-OD2 2.77Å; L218-D220 PolarHBondContact O-N 3.38Å; D220-L297 HydrophobicContact CB-CD1 3.94Å; D220-L297 WeakPolarHBondContact O-CD1 3.35Å; D220-K298 WeakPolarHBondContact O-CB 3.3Å; D220-K298 PolarHBondContact O-N 3.49Å
221F93.3Very high91.2Very high3 Ų338.7 Ų38.71%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-108.9145.6-174.5-60.9-84.1000111.7I118 L122 R216 T217 L218 S219 M223 F295 L296 L297 K298I118-F221 HydrophobicContact CG2-CD1 4.39Å; I118-F221 HydrophobicContact CG2-CD2 4.41Å; I118-F221 HydrophobicContact CG2-CE1 3.75Å; I118-F221 HydrophobicContact CG2-CE2 3.78Å; I118-F221 HydrophobicContact CG2-CZ 3.41Å; I118-F221 VanDerWaalsContact CG2-CZ 3.41Å; L122-F221 HydrophobicContact CD1-CE1 4.14Å; L122-F221 HydrophobicContact CD1-CZ 3.81Å; R216-F221 HydrophobicContact CB-CE2 3.86Å; R216-F221 HydrophobicContact CB-CZ 4.09Å; R216-F221 HydrophobicContact CG-CZ 4.47Å; T217-F221 VanDerWaalsContact O-CD2 3.23Å; T217-F221 WeakPolarHBondContact O-CD2 3.45Å; T217-F221 WeakPolarHBondContact O-CE2 3.24Å; L218-F221 PolarHBondContact O-N 3Å; L218-F221 VanDerWaalsContact O-N 3.15Å; S219-F221 PolarHBondContact O-N 3.16Å; F221-M223 HydrophobicContact CB-CE 3.28Å; F221-M223 HydrophobicContact CD2-CE 4.5Å; F221-M223 HydrophobicContact CG-CE 4.26Å; F221-M223 PolarHBondContact O-N 3.2Å; F221-F295 HydrophobicContact CB-CB 4Å; F221-F295 HydrophobicContact CD1-CB 4.03Å; F221-F295 HydrophobicContact CG-CB 4.29Å; F221-L296 CarbonylContact C-O 3.56Å; F221-L296 WeakPolarHBondContact CA-O 3.43Å; F221-L297 HydrophobicContact CD1-CD1 3.87Å; F221-L297 HydrophobicContact CE1-CD1 3.74Å; F221-L297 HydrophobicContact CG-CD1 4.43Å; F221-L297 HydrophobicContact CZ-CD1 4.19Å; F221-K298 WeakPolarHBondContact O-CE 3.33Å; F221-K298 PolarHBondContact O-NZ 3.04Å
222D94.4Very high91.7Very high49 Ų4936.7 Ų36.726%0.26219%0.187SC..EExtended strand (participates in β ladder)trans-85102168.4-179.53000109.6R224 S225 F295 L296 K298D222-R224 PolarHBondContact O-N 2.6Å; D222-R224 PolarHBondContact OD1-N 3.14Å; D222-S225 PolarHBondContact O-N 3.18Å; D222-S225 WeakPolarHBondContact OD2-CB 3.42Å; D222-S225 PolarHBondContact OD2-OG 2.66Å; D222-F295 WeakPolarHBondContact O-CD1 3.43Å; D222-L296 HydrophobicContact CB-CB 4.43Å; D222-L296 PolarHBondContact N-O 2.62Å; D222-K298 HydrophobicContact CB-CG 4.18Å
223M94.2Very high92.1Very high27 Ų2738.7 Ų38.713%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-63.6-7.6-178.5-65.7-62.8119.700114.5L114 I118 L218 F221 R271 F295L114-M223 HydrophobicContact CD2-SD 4.22Å; I118-M223 HydrophobicContact CD1-CE 4.5Å; L218-M223 HydrophobicContact CB-CE 4.34Å; L218-M223 HydrophobicContact CD2-CE 3.91Å; L218-M223 HydrophobicContact CD2-SD 4.32Å; L218-M223 WeakPolarHBondContact O-CE 3.43Å; F221-M223 HydrophobicContact CB-CE 3.28Å; F221-M223 HydrophobicContact CD2-CE 4.5Å; F221-M223 HydrophobicContact CG-CE 4.26Å; F221-M223 PolarHBondContact O-N 3.2Å; M223-R271 HydrophobicContact CB-CB 4.41Å; M223-R271 HydrophobicContact CB-CG 3.93Å; M223-R271 WeakPolarHBondContact O-CA 3.49Å; M223-F295 HydrophobicContact CE-CG 4.44Å; M223-F295 WeakPolarHBondContact O-CE1 3.41Å; M223-F295 HydrophobicContact SD-CD1 4.47Å; M223-F295 HydrophobicContact SD-CE1 4.44Å
224R95.4Very high92.4Very high122 Ų12241.6 Ų41.646%0.4622%0.218SC..EExtended strand (participates in β ladder)trans-106.5-4.5176.3-67.1178.261.7169.4-1.5113.2D222 Y268 H269D222-R224 PolarHBondContact O-N 2.6Å; D222-R224 PolarHBondContact OD1-N 3.14Å; R224-Y268 PolarHBondContact NE-O 2.94Å; R224-Y268 PolarHBondContact NH2-O 2.85Å; R224-Y268 WeakPolarHBondContact O-CB 3.49Å; R224-Y268 PolarHBondContact O-N 3.42Å; R224-H269 PolarHBondContact NE-O 3.41Å; R224-H269 PolarHBondContact NH2-O 2.9Å
225S96.5Very high92.7Very high9 Ų937.6 Ų37.66%0.06320%0.197CC..EExtended strand (participates in β ladder)trans-125.1131.1-175.2-60.30000111D222 L266 L296D222-S225 PolarHBondContact O-N 3.18Å; D222-S225 WeakPolarHBondContact OD2-CB 3.42Å; D222-S225 PolarHBondContact OD2-OG 2.66Å; S225-L266 CarbonylContact C-O 3.48Å; S225-L266 WeakPolarHBondContact CA-O 3.38Å; S225-L296 PolarHBondContact O-N 3.49Å
226L97.3Very high93Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-104.8144.2174.2-57.6178.6000110.2T265 L266 Y268 A274 D277 F278 V293 M294 F295L226-T265 CarbonylContact O-C 3.56Å; L226-T265 WeakPolarHBondContact O-CA 3.42Å; L226-L266 HydrophobicContact CB-CB 4.26Å; L226-L266 HydrophobicContact CB-CD1 4.4Å; L226-L266 PolarHBondContact N-O 2.93Å; L226-L266 PolarHBondContact O-N 2.92Å; L226-Y268 HydrophobicContact CB-CE2 4.21Å; L226-Y268 HydrophobicContact CD1-CD2 4.48Å; L226-Y268 HydrophobicContact CD1-CE2 3.56Å; L226-Y268 HydrophobicContact CG-CD2 4.31Å; L226-Y268 HydrophobicContact CG-CE2 3.72Å; L226-A274 HydrophobicContact CD2-CB 4.34Å; L226-A274 HydrophobicContact CG-CB 4.31Å; L226-D277 HydrophobicContact CD1-CB 3.92Å; L226-F278 HydrophobicContact CD2-CB 4.1Å; L226-F278 HydrophobicContact CD2-CD2 4.43Å; L226-V293 HydrophobicContact CB-CG1 4.29Å; L226-V293 HydrophobicContact CD1-CG1 3.73Å; L226-V293 HydrophobicContact CD2-CG1 4.48Å; L226-V293 HydrophobicContact CG-CG1 4.4Å; L226-M294 CarbonylContact C-O 3.52Å; L226-M294 WeakPolarHBondContact CA-O 3.48Å; L226-F295 HydrophobicContact CD2-CD1 3.62Å; L226-F295 HydrophobicContact CD2-CD2 4.45Å; L226-F295 HydrophobicContact CD2-CE1 3.69Å; L226-F295 HydrophobicContact CD2-CE2 4.49Å; L226-F295 HydrophobicContact CD2-CG 4.05Å; L226-F295 HydrophobicContact CD2-CZ 4.14Å
227H95.9Very high93.2Very high39 Ų3941.5 Ų41.518%0.18121%0.213CC..EExtended strand (participates in β ladder)trans-110.3112.6170.2-169.7-140.2000108Y263 C264 M294 L296H227-Y263 AromaticContact NE2-CD2 3.38Å; H227-Y263 WeakPolarHBondContact NE2-CD2 3.44Å; H227-Y263 AromaticContact NE2-CG 3.98Å; H227-C264 WeakPolarHBondContact CA-O 3.44Å; H227-C264 PolarHBondContact CD2-O 3.39Å; H227-M294 PolarHBondContact N-O 3.26Å; H227-M294 PolarHBondContact O-N 3.23Å; H227-L296 HydrophobicContact CB-CD1 4.05Å
228V95.6Very high93.3Very high0 Ų044.9 Ų44.90%022%0.223CC..EExtended strand (participates in β ladder)trans-95.6129.7176.9-1720000108.3L231 F244 Y263 C264 L266 I291 Y292 V293V228-L231 HydrophobicContact CG1-CD2 3.72Å; V228-L231 HydrophobicContact CG1-CG 4.29Å; V228-F244 HydrophobicContact CG1-CE2 4.49Å; V228-F244 HydrophobicContact CG2-CE2 3.92Å; V228-F244 HydrophobicContact CG2-CZ 3.79Å; V228-Y263 CarbonylContact O-C 3.59Å; V228-Y263 WeakPolarHBondContact O-CA 3.4Å; V228-Y263 WeakPolarHBondContact O-CB 3.44Å; V228-C264 VanDerWaalsContact CB-SG 3.6Å; V228-C264 PolarHBondContact N-O 3.33Å; V228-C264 PolarHBondContact O-N 2.66Å; V228-L266 HydrophobicContact CG2-CD1 3.54Å; V228-L266 HydrophobicContact CG2-CG 4.04Å; V228-I291 HydrophobicContact CG1-CB 4.05Å; V228-I291 HydrophobicContact CG1-CD1 3.9Å; V228-I291 HydrophobicContact CG1-CG1 4.21Å; V228-Y292 CarbonylContact C-O 3.59Å; V228-Y292 VanDerWaalsContact CA-O 3.24Å; V228-Y292 WeakPolarHBondContact CA-O 3.37Å; V228-Y292 WeakPolarHBondContact CG1-O 3.18Å; V228-V293 HydrophobicContact CG1-CG2 4.47Å; V228-V293 HydrophobicContact CG2-CG2 4.43Å
229L93.3Very high93.4Very high20 Ų2044 Ų4411%0.10522%0.218CC..EExtended strand (participates in β ladder)trans-123.3161-174.2-74.3158.2000110.4M125 Y292M125-L229 HydrophobicContact CE-CD1 4.44Å; M125-L229 HydrophobicContact SD-CD1 3.53Å; M125-L229 VanDerWaalsContact SD-CD1 3.53Å; L229-Y292 PolarHBondContact N-O 2.76Å; L229-Y292 PolarHBondContact O-N 3.46Å
230H89.8Confident93.6Very high16 Ų1640 Ų407%0.07419%0.191CC..  trans61.541.1-179.4-46.9-65.8000113.1N153 G262 Y292N153-H230 HydrophobicContact CB-CB 4.28Å; H230-G262 PolarHBondContact N-O 3.42Å; H230-Y292 AromaticContact CD2-CD2 3.44Å; H230-Y292 VanDerWaalsContact CD2-CD2 3.44Å; H230-Y292 WeakPolarHBondContact CD2-CD2 3.42Å; H230-Y292 AromaticContact CD2-CG 3.85Å
231L93.3Very high93.8Very high0 Ų039.8 Ų39.80%020%0.196CC..  trans-72.9134.9170.2-59.8176.5000109.8N153 V228 T235 L240 G262 C264 I286 I291N153-L231 PolarHBondContact ND2-O 3.4Å; V228-L231 HydrophobicContact CG1-CD2 3.72Å; V228-L231 HydrophobicContact CG1-CG 4.29Å; L231-T235 HydrophobicContact CB-CG2 4.43Å; L231-T235 HydrophobicContact CD1-CG2 4.41Å; L231-T235 HydrophobicContact CD2-CG2 4.31Å; L231-L240 HydrophobicContact CD1-CD1 4.16Å; L231-L240 HydrophobicContact CD1-CD2 4.05Å; L231-L240 HydrophobicContact CD2-CD2 3.93Å; L231-G262 PolarHBondContact N-O 2.73Å; L231-G262 VanDerWaalsContact O-CA 3.23Å; L231-G262 WeakPolarHBondContact O-CA 3.35Å; L231-C264 HydrophobicContact CD1-CB 3.94Å; L231-I286 HydrophobicContact CD2-CD1 4.17Å; L231-I291 HydrophobicContact CD2-CB 4.36Å; L231-I291 HydrophobicContact CD2-CG2 3.71Å
232P91.3Very high93.7Very high4 Ų441.2 Ų41.23%0.02620%0.202CC..  trans-54.7151.8166.5-14.313.2000111.9A234 T235 I286 H287 E289P232-A234 PolarHBondContact O-N 3.44Å; P232-T235 VanDerWaalsContact CD-OG1 3.24Å; P232-T235 WeakPolarHBondContact CD-OG1 3.25Å; P232-T235 WeakPolarHBondContact CG-OG1 3.17Å; P232-T235 VanDerWaalsContact O-CB 3.29Å; P232-T235 WeakPolarHBondContact O-CB 3.2Å; P232-T235 PolarHBondContact O-N 3.12Å; P232-T235 PolarHBondContact O-OG1 3.47Å; P232-T235 VanDerWaalsContact O-OG1 3.13Å; P232-I286 HydrophobicContact CG-CB 4.46Å; P232-I286 WeakPolarHBondContact CG-O 3.44Å; P232-H287 HydrophobicContact CB-CB 4.07Å; P232-H287 HydrophobicContact CG-CB 3.85Å; P232-E289 HydrophobicContact CB-CG 4.49Å; P232-E289 HydrophobicContact CG-CB 3.91Å; P232-E289 HydrophobicContact CG-CG 4.05Å
233R89.6Confident93.7Very high71 Ų7138.9 Ų38.927%0.26819%0.19SC..THydrogen-bonded Turntrans-60-30.5175.4-78.1-178.4166.7-93.7-4.8113.1V141 T235 Y255 S259 C260V141-R233 VanDerWaalsContact CG1-NH2 3.34Å; R233-T235 VanDerWaalsContact C-N 3.28Å; R233-T235 PolarHBondContact O-N 2.98Å; R233-Y255 VanDerWaalsContact NH2-CE2 3.28Å; R233-S259 PolarHBondContact NH1-OG 3.32Å; R233-S259 VanDerWaalsContact NH1-OG 3.17Å; R233-C260 PolarHBondContact O-N 2.93Å
234A91.7Very high93.7Very high62 Ų6237.6 Ų37.651%0.51218%0.184SC..THydrogen-bonded Turntrans-77.7-8.8178.400000113.7P232 T236 H287P232-A234 PolarHBondContact O-N 3.44Å; A234-T236 PolarHBondContact O-N 3.35Å; A234-H287 PolarHBondContact O-NE2 3.12Å
235T93.6Very high93.7Very high4 Ų436.1 Ų36.13%0.02519%0.19CC..  trans-62.3125.8-179.5-61.90000111L231 P232 R233 D239 L240 C260 I286L231-T235 HydrophobicContact CB-CG2 4.43Å; L231-T235 HydrophobicContact CD1-CG2 4.41Å; L231-T235 HydrophobicContact CD2-CG2 4.31Å; P232-T235 VanDerWaalsContact CD-OG1 3.24Å; P232-T235 WeakPolarHBondContact CD-OG1 3.25Å; P232-T235 WeakPolarHBondContact CG-OG1 3.17Å; P232-T235 VanDerWaalsContact O-CB 3.29Å; P232-T235 WeakPolarHBondContact O-CB 3.2Å; P232-T235 PolarHBondContact O-N 3.12Å; P232-T235 PolarHBondContact O-OG1 3.47Å; P232-T235 VanDerWaalsContact O-OG1 3.13Å; R233-T235 VanDerWaalsContact C-N 3.28Å; R233-T235 PolarHBondContact O-N 2.98Å; T235-D239 HydrophobicContact CG2-CB 4.29Å; T235-L240 HydrophobicContact CG2-CD2 4.27Å; T235-L240 HydrophobicContact CG2-CG 4.01Å; T235-C260 WeakPolarHBondContact O-CB 3.26Å; T235-I286 HydrophobicContact CG2-CG2 4.13Å
236T93.9Very high93.6Very high64 Ų6441.1 Ų41.139%0.39321%0.21SC..  trans-98.616417669.30000111.2A234 F238 D239 L240A234-T236 PolarHBondContact O-N 3.35Å; T236-F238 PolarHBondContact O-N 2.84Å; T236-F238 PolarHBondContact OG1-N 3.36Å; T236-D239 PolarHBondContact N-OD2 2.89Å; T236-D239 PolarHBondContact O-N 3.29Å; T236-D239 PolarHBondContact OG1-N 2.88Å; T236-D239 PolarHBondContact OG1-OD1 2.99Å; T236-D239 PolarHBondContact OG1-OD2 3.17Å; T236-L240 PolarHBondContact O-N 3.16Å
237R93.4Very high93.5Very high160 Ų16042 Ų4260%0.60422%0.217SC*.Hα-helixtrans-60.6-29.4170.9-175.4177.6174-177.1-1.5111.9L240 A241 I250 M252R237-L240 PolarHBondContact O-N 2.93Å; R237-A241 WeakPolarHBondContact O-CB 3.46Å; R237-A241 PolarHBondContact O-N 3.42Å; R237-I250 HydrophobicContact CG-CG2 4.24Å; R237-M252 HydrophobicContact CB-CE 4.41Å
238F93.3Very high93.5Very high132 Ų13245.1 Ų45.158%0.57924%0.239SC*.Hα-helixtrans-66.8-45177.1-179.2-98.6000111.4T236 L240 A241 Q242T236-F238 PolarHBondContact O-N 2.84Å; T236-F238 PolarHBondContact OG1-N 3.36Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 2.86Å; F238-A241 PolarHBondContact O-N 3.3Å; F238-Q242 HydrophobicContact CD1-CG 4.32Å; F238-Q242 VanDerWaalsContact CE1-CD 3.44Å; F238-Q242 HydrophobicContact CE1-CG 3.98Å; F238-Q242 HydrophobicContact CZ-CG 4.19Å; F238-Q242 WeakPolarHBondContact O-CG 3.32Å; F238-Q242 PolarHBondContact O-N 2.71Å
239D94.3Very high93.4Very high11 Ų1146.2 Ų46.26%0.05925%0.25CS..Hα-helixtrans-56.7-44.4175.4-54.3-30.8000110.6V96 T235 T236 A241 Q242 V243 I286 H287V96-D239 HydrophobicContact CG2-CB 4.44Å; T235-D239 HydrophobicContact CG2-CB 4.29Å; T236-D239 PolarHBondContact N-OD2 2.89Å; T236-D239 PolarHBondContact O-N 3.29Å; T236-D239 PolarHBondContact OG1-N 2.88Å; T236-D239 PolarHBondContact OG1-OD1 2.99Å; T236-D239 PolarHBondContact OG1-OD2 3.17Å; D239-A241 PolarHBondContact O-N 3.14Å; D239-Q242 PolarHBondContact O-N 3.35Å; D239-V243 WeakPolarHBondContact O-CG2 3.48Å; D239-V243 PolarHBondContact O-N 3.42Å; D239-V243 VanDerWaalsContact O-N 3.08Å; D239-I286 HydrophobicContact CB-CG2 4.27Å; D239-H287 IonicContact OD2-CD2 3.33Å; D239-H287 IonicContact OD2-CE1 3.64Å; D239-H287 IonicContact OD2-NE2 3.71Å; D239-H287 PolarHBondContact OD2-NE2 3.16Å
240L95Very high93.6Very high0 Ų046.5 Ų46.50%025%0.252CS..Hα-helixtrans-64.1-38.7175.9-68.4173.3000112.9L231 T235 T236 R237 F238 Q242 V243 F244 I250 M252 C264 I286L231-L240 HydrophobicContact CD1-CD1 4.16Å; L231-L240 HydrophobicContact CD1-CD2 4.05Å; L231-L240 HydrophobicContact CD2-CD2 3.93Å; T235-L240 HydrophobicContact CG2-CD2 4.27Å; T235-L240 HydrophobicContact CG2-CG 4.01Å; T236-L240 PolarHBondContact O-N 3.16Å; R237-L240 PolarHBondContact O-N 2.93Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 2.86Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; L240-Q242 PolarHBondContact O-N 3.25Å; L240-V243 PolarHBondContact O-N 3.19Å; L240-F244 HydrophobicContact CD2-CD2 4.38Å; L240-F244 HydrophobicContact CD2-CE2 4.24Å; L240-F244 WeakPolarHBondContact O-CB 3.4Å; L240-F244 WeakPolarHBondContact O-CD2 3.35Å; L240-F244 PolarHBondContact O-N 3.39Å; L240-I250 HydrophobicContact CB-CD1 4.31Å; L240-I250 HydrophobicContact CB-CG2 4.25Å; L240-I250 HydrophobicContact CD1-CG2 3.9Å; L240-M252 HydrophobicContact CD1-CB 4.25Å; L240-M252 HydrophobicContact CD1-CG 4.18Å; L240-M252 HydrophobicContact CD1-SD 3.63Å; L240-C264 HydrophobicContact CD1-CB 3.86Å; L240-I286 HydrophobicContact CD2-CD1 4.32Å
241A94.2Very high93.9Very high43 Ų4353.8 Ų53.836%0.35528%0.278SS..Hα-helixtrans-68-29.5177.200000112.4R237 F238 D239 P245 I250R237-A241 WeakPolarHBondContact O-CB 3.46Å; R237-A241 PolarHBondContact O-N 3.42Å; F238-A241 PolarHBondContact O-N 3.3Å; D239-A241 PolarHBondContact O-N 3.14Å; A241-P245 WeakPolarHBondContact O-CA 3.49Å; A241-I250 HydrophobicContact CB-CD1 4.09Å
242Q92.4Very high93.9Very high32 Ų3255.7 Ų55.715%0.1529%0.288CS..Hα-helixtrans-70.6-41.3171.7-67-170.4-38.400111.7S93 F238 D239 L240S93-Q242 VanDerWaalsContact N-OE1 3.1Å; S93-Q242 PolarHBondContact OG-OE1 3.34Å; F238-Q242 HydrophobicContact CD1-CG 4.32Å; F238-Q242 VanDerWaalsContact CE1-CD 3.44Å; F238-Q242 HydrophobicContact CE1-CG 3.98Å; F238-Q242 HydrophobicContact CZ-CG 4.19Å; F238-Q242 WeakPolarHBondContact O-CG 3.32Å; F238-Q242 PolarHBondContact O-N 2.71Å; D239-Q242 PolarHBondContact O-N 3.35Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; L240-Q242 PolarHBondContact O-N 3.25Å
243V93.7Very high93.9Very high0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-72-41.5179.7178.70000111.6V96 L98 D239 L240 P245 K281 T284 I286 I291V96-V243 HydrophobicContact CB-CG2 4.45Å; V96-V243 HydrophobicContact CG1-CG2 3.4Å; V96-V243 HydrophobicContact CG2-CG2 4.15Å; L98-V243 HydrophobicContact CD2-CG1 4.34Å; D239-V243 WeakPolarHBondContact O-CG2 3.48Å; D239-V243 PolarHBondContact O-N 3.42Å; D239-V243 VanDerWaalsContact O-N 3.08Å; L240-V243 PolarHBondContact O-N 3.19Å; V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 3.48Å; V243-K281 HydrophobicContact CG1-CB 4.45Å; V243-K281 HydrophobicContact CG1-CD 4.01Å; V243-K281 HydrophobicContact CG1-CG 4.48Å; V243-K281 WeakPolarHBondContact O-CE 3.43Å; V243-K281 PolarHBondContact O-NZ 3.44Å; V243-T284 HydrophobicContact CG1-CG2 4.04Å; V243-T284 HydrophobicContact CG2-CG2 4.1Å; V243-I286 HydrophobicContact CG2-CD1 3.97Å; V243-I286 HydrophobicContact CG2-CG1 4.3Å; V243-I291 HydrophobicContact CG1-CD1 4.48Å
244F95.3Very high94Very high1 Ų155.9 Ų55.90%0.00430%0.297CS..  trans-120.564.9-174.2-55.8-80.1000112V228 L240 K246 A247 L266 Y268 D277 K281 I291 V293V228-F244 HydrophobicContact CG1-CE2 4.49Å; V228-F244 HydrophobicContact CG2-CE2 3.92Å; V228-F244 HydrophobicContact CG2-CZ 3.79Å; L240-F244 HydrophobicContact CD2-CD2 4.38Å; L240-F244 HydrophobicContact CD2-CE2 4.24Å; L240-F244 WeakPolarHBondContact O-CB 3.4Å; L240-F244 WeakPolarHBondContact O-CD2 3.35Å; L240-F244 PolarHBondContact O-N 3.39Å; F244-K246 PolarHBondContact O-N 3.28Å; F244-K246 VanDerWaalsContact O-N 3.14Å; F244-A247 HydrophobicContact CB-CB 4.24Å; F244-A247 WeakPolarHBondContact O-CB 3.25Å; F244-A247 PolarHBondContact O-N 2.85Å; F244-L266 HydrophobicContact CB-CD1 3.96Å; F244-L266 HydrophobicContact CD1-CD1 3.55Å; F244-L266 HydrophobicContact CD2-CD1 3.58Å; F244-L266 HydrophobicContact CE1-CD1 3.82Å; F244-L266 HydrophobicContact CE2-CD1 3.87Å; F244-L266 HydrophobicContact CG-CD1 3.41Å; F244-L266 VanDerWaalsContact CG-CD1 3.41Å; F244-L266 HydrophobicContact CZ-CD1 3.98Å; F244-Y268 WeakPolarHBondContact CD1-OH 3.19Å; F244-D277 HydrophobicContact CD1-CB 4.17Å; F244-D277 HydrophobicContact CE1-CB 4.38Å; F244-K281 HydrophobicContact CD1-CB 4.32Å; F244-K281 HydrophobicContact CD1-CG 4.1Å; F244-K281 HydrophobicContact CE1-CB 3.49Å; F244-K281 VanDerWaalsContact CE1-CB 3.49Å; F244-K281 HydrophobicContact CE1-CG 3.77Å; F244-K281 HydrophobicContact CZ-CB 3.96Å; F244-I291 HydrophobicContact CE2-CD1 4.14Å; F244-I291 HydrophobicContact CZ-CD1 4Å; F244-V293 HydrophobicContact CE1-CG1 4.49Å; F244-V293 HydrophobicContact CE1-CG2 4.21Å; F244-V293 HydrophobicContact CZ-CG2 3.82Å
245P94.1Very high93.8Very high90 Ų9054.3 Ų54.358%0.58428%0.278SS*.THydrogen-bonded Turntrans-66.9-18.3-17427.6-35.9000113.7A241 V243A241-P245 WeakPolarHBondContact O-CA 3.49Å; V243-P245 VanDerWaalsContact O-CD 3.25Å; V243-P245 WeakPolarHBondContact O-CD 3.48Å
246K94.5Very high93.4Very high115 Ų11561.6 Ų61.650%0.532%0.317SS..THydrogen-bonded Turntrans-91.1-2.6-179.5-63.1-175.7-179.8-177.50113.6F244 V248 Y268F244-K246 PolarHBondContact O-N 3.28Å; F244-K246 VanDerWaalsContact O-N 3.14Å; K246-V248 PolarHBondContact O-N 3.19Å; K246-Y268 HydrophobicContact CB-CE1 4.28Å
247A95.5Very high93.1Very high18 Ų1863.9 Ų63.915%0.14933%0.327CS..  trans-71.2125.7177.400000110.1F244 G249 I250 L266 Y268F244-A247 HydrophobicContact CB-CB 4.24Å; F244-A247 WeakPolarHBondContact O-CB 3.25Å; F244-A247 PolarHBondContact O-N 2.85Å; A247-G249 VanDerWaalsContact C-N 3.33Å; A247-I250 HydrophobicContact CB-CG1 4.15Å; A247-L266 HydrophobicContact CB-CB 4.34Å; A247-L266 HydrophobicContact CB-CD2 4.27Å; A247-Y268 HydrophobicContact CB-CE1 4.22Å
248V95.8Very high92.9Very high105 Ų10558.6 Ų58.664%0.63632%0.322SS*.SBendtrans-72.4-33.3177.4-179.20000110.7K246 T267 H269K246-V248 PolarHBondContact O-N 3.19Å; V248-T267 WeakPolarHBondContact CB-O 3.3Å; V248-T267 PolarHBondContact N-O 3.31Å; V248-H269 HydrophobicContact CG2-CB 4.02Å
249G94.8Very high92.7Very high23 Ų2353.4 Ų53.424%0.23730%0.303CS..EExtended strand (participates in β ladder)trans-139.5137.6-179.700000111A247 L266 T267A247-G249 VanDerWaalsContact C-N 3.33Å; G249-L266 WeakPolarHBondContact O-CA 3.35Å; G249-T267 VanDerWaalsContact CA-OG1 3.28Å; G249-T267 WeakPolarHBondContact CA-OG1 3.37Å; G249-T267 PolarHBondContact N-O 2.93Å; G249-T267 PolarHBondContact N-OG1 2.91Å; G249-T267 PolarHBondContact O-N 3.45Å; G249-T267 PolarHBondContact O-OG1 3.11Å
250I96.5Very high92.5Very high26 Ų2653 Ų5313%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-124.3110.4175.3-54.9-178.7000107.4R237 L240 A241 A247 L266R237-I250 HydrophobicContact CG-CG2 4.24Å; L240-I250 HydrophobicContact CB-CD1 4.31Å; L240-I250 HydrophobicContact CB-CG2 4.25Å; L240-I250 HydrophobicContact CD1-CG2 3.9Å; A241-I250 HydrophobicContact CB-CD1 4.09Å; A247-I250 HydrophobicContact CB-CG1 4.15Å; I250-L266 HydrophobicContact CB-CD2 4.2Å; I250-L266 HydrophobicContact CD1-CD2 4.42Å; I250-L266 HydrophobicContact CG1-CD2 3.79Å; I250-L266 HydrophobicContact CG2-CD2 3.93Å
251R95.5Very high92.2Very high168 Ų16855.6 Ų55.663%0.63431%0.31SS*.EExtended strand (participates in β ladder)trans-106.5103.6175.2-175.1175.8-177.5-91.2-1.2109.2C264 T265R251-C264 CarbonylContact O-C 3.42Å; R251-C264 VanDerWaalsContact O-CA 3.32Å; R251-C264 WeakPolarHBondContact O-CA 3.44Å; R251-C264 WeakPolarHBondContact O-CB 3.44Å; R251-T265 PolarHBondContact N-O 2.89Å; R251-T265 PolarHBondContact O-N 2.89Å
252M93.9Very high92.1Very high40 Ų4053.8 Ų53.820%0.19730%0.296CS..  trans-115.7104.5-179.9-174.9-177.278.200109.8R237 L240 T254 C260 C264R237-M252 HydrophobicContact CB-CE 4.41Å; L240-M252 HydrophobicContact CD1-CB 4.25Å; L240-M252 HydrophobicContact CD1-CG 4.18Å; L240-M252 HydrophobicContact CD1-SD 3.63Å; M252-T254 HydrophobicContact CE-CG2 4.17Å; M252-C260 HydrophobicContact SD-CB 4.25Å; M252-C264 HydrophobicContact CB-CB 4.03Å; M252-C264 HydrophobicContact CG-CB 4.22Å
253P92.1Very high92.1Very high19 Ų1954.3 Ų54.312%0.12330%0.297CS..  trans-65.4138.3174.1-25.438.6000111.9R261 Y263P253-R261 HydrophobicContact CB-CB 4.32Å; P253-R261 HydrophobicContact CB-CG 4.2Å; P253-R261 WeakPolarHBondContact O-CB 3.25Å; P253-R261 WeakPolarHBondContact O-CG 3.5Å; P253-R261 PolarHBondContact O-N 2.93Å; P253-Y263 WeakPolarHBondContact CD-O 3.14Å; P253-Y263 HydrophobicContact CG-CE2 3.73Å
254T91.4Very high92.2Very high60 Ų6054.3 Ų54.337%0.36830%0.297SS..BIsolated β-bridgetrans-115.6151176.955.10000111.3M252 G258 S259 R261M252-T254 HydrophobicContact CE-CG2 4.17Å; T254-G258 WeakPolarHBondContact CG2-O 3.38Å; T254-S259 CarbonylContact C-O 3.48Å; T254-S259 WeakPolarHBondContact CA-O 3.41Å; T254-S259 WeakPolarHBondContact CB-O 3.35Å; T254-R261 VanDerWaalsContact C-NE 3.34Å; T254-R261 VanDerWaalsContact O-CZ 3.27Å; T254-R261 PolarHBondContact O-NE 3.36Å; T254-R261 PolarHBondContact O-NH2 3.12Å
255Y86Confident92.3Very high29 Ų2955.3 Ų55.311%0.11430%0.303CS..  trans-71.1174.5166.1-68.3-73.6000110.1R233 D257 G258 S259 R261R233-Y255 VanDerWaalsContact NH2-CE2 3.28Å; Y255-D257 WeakPolarHBondContact CB-OD1 3.23Å; Y255-D257 PolarHBondContact O-N 3.4Å; Y255-G258 PolarHBondContact O-N 2.68Å; Y255-S259 WeakPolarHBondContact CD2-OG 3.48Å; Y255-S259 PolarHBondContact N-O 3.49Å; Y255-R261 HydrophobicContact CD1-CG 4.11Å; Y255-R261 HydrophobicContact CD2-CG 3.9Å; Y255-R261 HydrophobicContact CE1-CG 4.11Å; Y255-R261 HydrophobicContact CE2-CB 4.19Å; Y255-R261 HydrophobicContact CE2-CG 3.93Å; Y255-R261 HydrophobicContact CG-CG 4Å
256D85.5Confident92.4Very high158 Ų15851 Ų5185%0.84528%0.275SS*.THydrogen-bonded Turntrans-66.5-23-178.3-52.8-39.5000112.1G258D256-G258 PolarHBondContact O-N 3.33Å
257D87.6Confident92.6Very high112 Ų11248.3 Ų48.360%0.59927%0.268SS*.THydrogen-bonded Turntrans-77.2-1.4171.566.9-0.4000113.7Y255 S259Y255-D257 WeakPolarHBondContact CB-OD1 3.23Å; Y255-D257 PolarHBondContact O-N 3.4Å; D257-S259 VanDerWaalsContact C-N 3.29Å; D257-S259 PolarHBondContact O-N 3.46Å; D257-S259 VanDerWaalsContact OD1-CB 3.24Å; D257-S259 WeakPolarHBondContact OD1-CB 3.48Å; D257-S259 PolarHBondContact OD1-N 2.96Å; D257-S259 PolarHBondContact OD1-OG 3.48Å; D257-S259 PolarHBondContact OD2-OG 2.84Å
258G89.2Confident92.6Very high49 Ų4947.8 Ų47.851%0.50526%0.262SS..SBendtrans81.9-5.2-176.100000115.1T254 Y255 D256T254-G258 WeakPolarHBondContact CG2-O 3.38Å; Y255-G258 PolarHBondContact O-N 2.68Å; D256-G258 PolarHBondContact O-N 3.33Å
259S89.2Confident92.7Very high23 Ų2349.9 Ų49.916%0.16127%0.265CS..  trans-72.3152.2179.171.10000112.3R233 T254 Y255 D257R233-S259 PolarHBondContact NH1-OG 3.32Å; R233-S259 VanDerWaalsContact NH1-OG 3.17Å; T254-S259 CarbonylContact C-O 3.48Å; T254-S259 WeakPolarHBondContact CA-O 3.41Å; T254-S259 WeakPolarHBondContact CB-O 3.35Å; Y255-S259 WeakPolarHBondContact CD2-OG 3.48Å; Y255-S259 PolarHBondContact N-O 3.49Å; D257-S259 VanDerWaalsContact C-N 3.29Å; D257-S259 PolarHBondContact O-N 3.46Å; D257-S259 VanDerWaalsContact OD1-CB 3.24Å; D257-S259 WeakPolarHBondContact OD1-CB 3.48Å; D257-S259 PolarHBondContact OD1-N 2.96Å; D257-S259 PolarHBondContact OD1-OG 3.48Å; D257-S259 PolarHBondContact OD2-OG 2.84Å
260C91.3Very high92.7Very high1 Ų151.3 Ų51.31%0.00727%0.271CS..BIsolated β-bridgetrans-66.2138.4-179.1-179.30000111.6R233 T235 M252 G262R233-C260 PolarHBondContact O-N 2.93Å; T235-C260 WeakPolarHBondContact O-CB 3.26Å; M252-C260 HydrophobicContact SD-CB 4.25Å; C260-G262 PolarHBondContact O-N 2.76Å; C260-G262 PolarHBondContact SG-N 3.13Å; C260-G262 VanDerWaalsContact SG-N 3.38Å
261R88.9Confident92.6Very high56 Ų5654.2 Ų54.221%0.21128%0.28CS..  trans-75.15.1175.7-66.7-167.8-166.7-169.1-7.5115.1P253 T254 Y255 Y263P253-R261 HydrophobicContact CB-CB 4.32Å; P253-R261 HydrophobicContact CB-CG 4.2Å; P253-R261 WeakPolarHBondContact O-CB 3.25Å; P253-R261 WeakPolarHBondContact O-CG 3.5Å; P253-R261 PolarHBondContact O-N 2.93Å; T254-R261 VanDerWaalsContact C-NE 3.34Å; T254-R261 VanDerWaalsContact O-CZ 3.27Å; T254-R261 PolarHBondContact O-NE 3.36Å; T254-R261 PolarHBondContact O-NH2 3.12Å; Y255-R261 HydrophobicContact CD1-CG 4.11Å; Y255-R261 HydrophobicContact CD2-CG 3.9Å; Y255-R261 HydrophobicContact CE1-CG 4.11Å; Y255-R261 HydrophobicContact CE2-CB 4.19Å; Y255-R261 HydrophobicContact CE2-CG 3.93Å; Y255-R261 HydrophobicContact CG-CG 4Å; R261-Y263 HydrophobicContact CB-CD1 4.11Å; R261-Y263 HydrophobicContact CB-CE1 3.79Å
262G91Very high92.5Very high5 Ų551.6 Ų51.65%0.05228%0.275CS..SBendtrans84.88.7178.600000115.3H230 L231 C260H230-G262 PolarHBondContact N-O 3.42Å; L231-G262 PolarHBondContact N-O 2.73Å; L231-G262 VanDerWaalsContact O-CA 3.23Å; L231-G262 WeakPolarHBondContact O-CA 3.35Å; C260-G262 PolarHBondContact O-N 2.76Å; C260-G262 PolarHBondContact SG-N 3.13Å; C260-G262 VanDerWaalsContact SG-N 3.38Å
263Y93.4Very high92.5Very high43 Ų4351.3 Ų51.317%0.16928%0.276CS..EExtended strand (participates in β ladder)trans-150.6156.5175.169.9-82.7000112H227 V228 P253 R261H227-Y263 AromaticContact NE2-CD2 3.38Å; H227-Y263 WeakPolarHBondContact NE2-CD2 3.44Å; H227-Y263 AromaticContact NE2-CG 3.98Å; V228-Y263 CarbonylContact O-C 3.59Å; V228-Y263 WeakPolarHBondContact O-CA 3.4Å; V228-Y263 WeakPolarHBondContact O-CB 3.44Å; P253-Y263 WeakPolarHBondContact CD-O 3.14Å; P253-Y263 HydrophobicContact CG-CE2 3.73Å; R261-Y263 HydrophobicContact CB-CD1 4.11Å; R261-Y263 HydrophobicContact CB-CE1 3.79Å
264C95.2Very high92.6Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-144.7159.2171.479.60000111.4H227 V228 L231 L240 R251 M252H227-C264 WeakPolarHBondContact CA-O 3.44Å; H227-C264 PolarHBondContact CD2-O 3.39Å; V228-C264 VanDerWaalsContact CB-SG 3.6Å; V228-C264 PolarHBondContact N-O 3.33Å; V228-C264 PolarHBondContact O-N 2.66Å; L231-C264 HydrophobicContact CD1-CB 3.94Å; L240-C264 HydrophobicContact CD1-CB 3.86Å; R251-C264 CarbonylContact O-C 3.42Å; R251-C264 VanDerWaalsContact O-CA 3.32Å; R251-C264 WeakPolarHBondContact O-CA 3.44Å; R251-C264 WeakPolarHBondContact O-CB 3.44Å; M252-C264 HydrophobicContact CB-CB 4.03Å; M252-C264 HydrophobicContact CG-CB 4.22Å
265T96.9Very high92.8Very high21 Ų2148.5 Ų48.513%0.12926%0.257CS..EExtended strand (participates in β ladder)trans-112.4128.8172.2-51.10000108.9L226 R251 L296L226-T265 CarbonylContact O-C 3.56Å; L226-T265 WeakPolarHBondContact O-CA 3.42Å; R251-T265 PolarHBondContact N-O 2.89Å; R251-T265 PolarHBondContact O-N 2.89Å; T265-L296 HydrophobicContact CG2-CD1 4.21Å; T265-L296 HydrophobicContact CG2-CD2 3.84Å
266L97.3Very high93.2Very high0 Ų050 Ų500%026%0.264CS..EExtended strand (participates in β ladder)trans-109.8135.8177.3-54.2175.1000108.7S225 L226 V228 F244 A247 G249 I250 Y268S225-L266 CarbonylContact C-O 3.48Å; S225-L266 WeakPolarHBondContact CA-O 3.38Å; L226-L266 HydrophobicContact CB-CB 4.26Å; L226-L266 HydrophobicContact CB-CD1 4.4Å; L226-L266 PolarHBondContact N-O 2.93Å; L226-L266 PolarHBondContact O-N 2.92Å; V228-L266 HydrophobicContact CG2-CD1 3.54Å; V228-L266 HydrophobicContact CG2-CG 4.04Å; F244-L266 HydrophobicContact CB-CD1 3.96Å; F244-L266 HydrophobicContact CD1-CD1 3.55Å; F244-L266 HydrophobicContact CD2-CD1 3.58Å; F244-L266 HydrophobicContact CE1-CD1 3.82Å; F244-L266 HydrophobicContact CE2-CD1 3.87Å; F244-L266 HydrophobicContact CG-CD1 3.41Å; F244-L266 VanDerWaalsContact CG-CD1 3.41Å; F244-L266 HydrophobicContact CZ-CD1 3.98Å; A247-L266 HydrophobicContact CB-CB 4.34Å; A247-L266 HydrophobicContact CB-CD2 4.27Å; G249-L266 WeakPolarHBondContact O-CA 3.35Å; I250-L266 HydrophobicContact CB-CD2 4.2Å; I250-L266 HydrophobicContact CD1-CD2 4.42Å; I250-L266 HydrophobicContact CG1-CD2 3.79Å; I250-L266 HydrophobicContact CG2-CD2 3.93Å; L266-Y268 HydrophobicContact CB-CE2 3.73Å; L266-Y268 HydrophobicContact CD1-CE2 4.41Å
267T97.1Very high93.6Very high59 Ų5942.8 Ų42.836%0.36223%0.226SC..EExtended strand (participates in β ladder)trans-117133.4175.855.30000110.2V248 G249V248-T267 WeakPolarHBondContact CB-O 3.3Å; V248-T267 PolarHBondContact N-O 3.31Å; G249-T267 VanDerWaalsContact CA-OG1 3.28Å; G249-T267 WeakPolarHBondContact CA-OG1 3.37Å; G249-T267 PolarHBondContact N-O 2.93Å; G249-T267 PolarHBondContact N-OG1 2.91Å; G249-T267 PolarHBondContact O-N 3.45Å; G249-T267 PolarHBondContact O-OG1 3.11Å
268Y97.3Very high93.9Very high6 Ų637.5 Ų37.52%0.02420%0.197CC..  trans-115.7156.6-177.2-67.8-95.2000112.8R224 L226 F244 K246 A247 L266 A274 D277R224-Y268 PolarHBondContact NE-O 2.94Å; R224-Y268 PolarHBondContact NH2-O 2.85Å; R224-Y268 WeakPolarHBondContact O-CB 3.49Å; R224-Y268 PolarHBondContact O-N 3.42Å; L226-Y268 HydrophobicContact CB-CE2 4.21Å; L226-Y268 HydrophobicContact CD1-CD2 4.48Å; L226-Y268 HydrophobicContact CD1-CE2 3.56Å; L226-Y268 HydrophobicContact CG-CD2 4.31Å; L226-Y268 HydrophobicContact CG-CE2 3.72Å; F244-Y268 WeakPolarHBondContact CD1-OH 3.19Å; K246-Y268 HydrophobicContact CB-CE1 4.28Å; A247-Y268 HydrophobicContact CB-CE1 4.22Å; L266-Y268 HydrophobicContact CB-CE2 3.73Å; L266-Y268 HydrophobicContact CD1-CE2 4.41Å; Y268-A274 HydrophobicContact CD2-CB 3.78Å; Y268-A274 HydrophobicContact CE2-CB 4.39Å; Y268-A274 HydrophobicContact CG-CB 3.99Å; Y268-D277 HydrophobicContact CE1-CB 4.46Å; Y268-D277 WeakPolarHBondContact CE1-OD2 3.23Å; Y268-D277 VanDerWaalsContact CZ-OD2 3.25Å; Y268-D277 WeakPolarHBondContact OH-CB 3.46Å; Y268-D277 PolarHBondContact OH-OD2 3.05Å
269H96Very high94.1Very high150 Ų15036 Ų3669%0.69418%0.177SC*.SBendtrans-71.4-32.5175.8-154.570.5000112.2R224 V248R224-H269 PolarHBondContact NE-O 3.41Å; R224-H269 PolarHBondContact NH2-O 2.9Å; V248-H269 HydrophobicContact CG2-CB 4.02Å
270S95.2Very high94.2Very high52 Ų5237 Ų3736%0.36418%0.181SC..  trans-134.3151-178173.20000112.4H272 T273 A274S270-H272 VanDerWaalsContact C-N 3.26Å; S270-H272 PolarHBondContact O-N 3.09Å; S270-H272 PolarHBondContact OG-N 3.15Å; S270-T273 PolarHBondContact N-OG1 3.27Å; S270-T273 PolarHBondContact O-N 3.33Å; S270-T273 PolarHBondContact O-OG1 3.47Å; S270-A274 PolarHBondContact O-N 2.97Å
271R94.2Very high94.4Very high87 Ų8737.8 Ų37.833%0.32818%0.184SC..Hα-helixtrans-56.6-41.2169.6172.7174.5-175.7-163.6-4.5111.4D111 M223 T273 A274 L275D111-R271 IonicContact OD1-CZ 3.91Å; D111-R271 IonicContact OD1-NH1 3.85Å; D111-R271 PolarHBondContact OD1-NH1 3.02Å; D111-R271 IonicContact OD1-NH2 3.77Å; D111-R271 PolarHBondContact OD1-NH2 3.25Å; D111-R271 IonicContact OD2-NH1 3.42Å; D111-R271 IonicContact OD2-NH2 3.99Å; M223-R271 HydrophobicContact CB-CB 4.41Å; M223-R271 HydrophobicContact CB-CG 3.93Å; M223-R271 WeakPolarHBondContact O-CA 3.49Å; R271-T273 VanDerWaalsContact C-N 3.33Å; R271-T273 PolarHBondContact O-N 3.25Å; R271-A274 PolarHBondContact O-N 3.18Å; R271-L275 WeakPolarHBondContact O-CB 3.32Å; R271-L275 PolarHBondContact O-N 3.42Å
272H93.4Very high94.6Very high113 Ų11336.4 Ų36.452%0.52318%0.18SC..Hα-helixtrans-62.9-39.8-178.5-177.876.1000112.1S270 L275 K276S270-H272 VanDerWaalsContact C-N 3.26Å; S270-H272 PolarHBondContact O-N 3.09Å; S270-H272 PolarHBondContact OG-N 3.15Å; H272-L275 PolarHBondContact O-N 3.35Å; H272-K276 PolarHBondContact O-N 3.07Å
273T94.4Very high94.6Very high35 Ų3537.2 Ų37.222%0.21519%0.189CC..Hα-helixtrans-67-38.1175.946.60000112.6S270 R271 D277S270-T273 PolarHBondContact N-OG1 3.27Å; S270-T273 PolarHBondContact O-N 3.33Å; S270-T273 PolarHBondContact O-OG1 3.47Å; R271-T273 VanDerWaalsContact C-N 3.33Å; R271-T273 PolarHBondContact O-N 3.25Å; T273-D277 PolarHBondContact O-N 3.42Å
274A95.4Very high94.7Very high0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-68.1-41.9175.900000111.5L226 Y268 S270 R271 K276 D277 F278 F295L226-A274 HydrophobicContact CD2-CB 4.34Å; L226-A274 HydrophobicContact CG-CB 4.31Å; Y268-A274 HydrophobicContact CD2-CB 3.78Å; Y268-A274 HydrophobicContact CE2-CB 4.39Å; Y268-A274 HydrophobicContact CG-CB 3.99Å; S270-A274 PolarHBondContact O-N 2.97Å; R271-A274 PolarHBondContact O-N 3.18Å; A274-K276 PolarHBondContact O-N 3.23Å; A274-D277 PolarHBondContact O-N 2.55Å; A274-F278 VanDerWaalsContact O-CB 3.3Å; A274-F278 WeakPolarHBondContact O-CB 3.36Å; A274-F278 PolarHBondContact O-N 2.92Å; A274-F295 HydrophobicContact CB-CE1 4.02Å
275L94.5Very high94.5Very high19 Ų1939.7 Ų39.710%0.09920%0.2CC..Hα-helixtrans-59.8-45.1176179.561.7000112L108 L114 R271 H272 D277 F278 E279 F295L108-L275 HydrophobicContact CB-CD1 4.39Å; L108-L275 HydrophobicContact CD1-CD1 4.39Å; L114-L275 HydrophobicContact CD1-CD1 3.41Å; L114-L275 VanDerWaalsContact CD1-CD1 3.41Å; L114-L275 HydrophobicContact CD2-CD1 4.21Å; L114-L275 HydrophobicContact CG-CD1 4.38Å; R271-L275 WeakPolarHBondContact O-CB 3.32Å; R271-L275 PolarHBondContact O-N 3.42Å; H272-L275 PolarHBondContact O-N 3.35Å; L275-D277 VanDerWaalsContact C-N 3.35Å; L275-D277 PolarHBondContact O-N 3.18Å; L275-F278 HydrophobicContact CD1-CD1 4.42Å; L275-F278 WeakPolarHBondContact O-CB 3.41Å; L275-F278 PolarHBondContact O-N 3.23Å; L275-E279 PolarHBondContact O-N 3.04Å; L275-F295 HydrophobicContact CD1-CZ 4.44Å
276K93.6Very high94.4Very high60 Ų6038.7 Ų38.726%0.26119%0.194SC..Hα-helixtrans-58.3-45.7177.3-178.2165.1-174.3163.10112.5Y104 H272 A274 L280Y104-K276 HydrophobicContact CD1-CD 4.26Å; Y104-K276 HydrophobicContact CD1-CG 4.47Å; Y104-K276 HydrophobicContact CD2-CG 4.24Å; Y104-K276 HydrophobicContact CE1-CD 4.09Å; Y104-K276 HydrophobicContact CE1-CG 4.08Å; Y104-K276 HydrophobicContact CE2-CB 4.35Å; Y104-K276 HydrophobicContact CE2-CG 3.81Å; Y104-K276 WeakPolarHBondContact OH-CA 3.33Å; H272-K276 PolarHBondContact O-N 3.07Å; A274-K276 PolarHBondContact O-N 3.23Å; K276-L280 WeakPolarHBondContact O-CB 3.29Å; K276-L280 PolarHBondContact O-N 3.47Å
277D94.4Very high94.1Very high8 Ų842.3 Ų42.34%0.04321%0.211CC..Hα-helixtrans-72.2-33.2178-78.4-2000111.9L226 F244 Y268 T273 A274 L275 E279 K281L226-D277 HydrophobicContact CD1-CB 3.92Å; F244-D277 HydrophobicContact CD1-CB 4.17Å; F244-D277 HydrophobicContact CE1-CB 4.38Å; Y268-D277 HydrophobicContact CE1-CB 4.46Å; Y268-D277 WeakPolarHBondContact CE1-OD2 3.23Å; Y268-D277 VanDerWaalsContact CZ-OD2 3.25Å; Y268-D277 WeakPolarHBondContact OH-CB 3.46Å; Y268-D277 PolarHBondContact OH-OD2 3.05Å; T273-D277 PolarHBondContact O-N 3.42Å; A274-D277 PolarHBondContact O-N 2.55Å; L275-D277 VanDerWaalsContact C-N 3.35Å; L275-D277 PolarHBondContact O-N 3.18Å; D277-E279 PolarHBondContact O-N 3.02Å; D277-K281 HydrophobicContact CB-CG 4.16Å; D277-K281 VanDerWaalsContact O-CB 3.23Å; D277-K281 WeakPolarHBondContact O-CB 3.26Å; D277-K281 PolarHBondContact O-N 3.39Å
278F95.1Very high93.6Very high0 Ų042.3 Ų42.30%022%0.222CC..Hα-helixtrans-59.9-42.9173.2170.5-88.8000112.5L108 L114 A117 I118 R121 L226 A274 L275 M294 F295L108-F278 HydrophobicContact CD1-CD1 4.11Å; L108-F278 HydrophobicContact CD1-CE1 3.75Å; L114-F278 HydrophobicContact CD1-CD1 4.4Å; L114-F278 HydrophobicContact CD1-CE1 4.14Å; A117-F278 HydrophobicContact CB-CE1 4.4Å; I118-F278 HydrophobicContact CB-CZ 4.5Å; I118-F278 HydrophobicContact CG1-CE1 4.45Å; I118-F278 HydrophobicContact CG1-CE2 3.91Å; I118-F278 HydrophobicContact CG1-CZ 3.61Å; R121-F278 VanDerWaalsContact NH1-CD2 3.32Å; R121-F278 PolarHBondContact NH1-O 3.13Å; R121-F278 PolarHBondContact NH2-O 3.35Å; L226-F278 HydrophobicContact CD2-CB 4.1Å; L226-F278 HydrophobicContact CD2-CD2 4.43Å; A274-F278 VanDerWaalsContact O-CB 3.3Å; A274-F278 WeakPolarHBondContact O-CB 3.36Å; A274-F278 PolarHBondContact O-N 2.92Å; L275-F278 HydrophobicContact CD1-CD1 4.42Å; L275-F278 WeakPolarHBondContact O-CB 3.41Å; L275-F278 PolarHBondContact O-N 3.23Å; F278-M294 HydrophobicContact CD2-CE 4.38Å; F278-M294 HydrophobicContact CE2-CE 3.35Å; F278-M294 HydrophobicContact CZ-CE 3.94Å; F278-F295 HydrophobicContact CB-CE2 3.92Å; F278-F295 HydrophobicContact CB-CZ 4.07Å; F278-F295 AromaticContact CD1-CE2 4Å; F278-F295 HydrophobicContact CD1-CE2 4Å; F278-F295 AromaticContact CD2-CD2 3.54Å; F278-F295 HydrophobicContact CD2-CD2 3.54Å; F278-F295 AromaticContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CE2 3.43Å; F278-F295 VanDerWaalsContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CZ 4.34Å; F278-F295 HydrophobicContact CE1-CE2 4.38Å; F278-F295 AromaticContact CE2-CD2 3.65Å; F278-F295 HydrophobicContact CE2-CD2 3.65Å; F278-F295 AromaticContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CG-CD2 4.13Å; F278-F295 AromaticContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CZ 4.18Å; F278-F295 HydrophobicContact CZ-CD2 4.39Å; F278-F295 HydrophobicContact CZ-CE2 4.31Å
279E92.9Very high93.2Very high17 Ų1743.8 Ų43.88%0.07923%0.23CC..Hα-helixtrans-71.6-54.5175.2-72.9-174.3-142.800110.2R101 Y104 S107 L108 L275 D277R101-E279 PolarHBondContact NH1-O 3.31Å; R101-E279 PolarHBondContact NH2-O 2.9Å; Y104-E279 HydrophobicContact CE2-CB 4.17Å; S107-E279 PolarHBondContact N-OE2 3.14Å; S107-E279 VanDerWaalsContact N-OE2 3.09Å; S107-E279 PolarHBondContact OG-OE2 2.86Å; L108-E279 VanDerWaalsContact CB-OE1 3.26Å; L108-E279 WeakPolarHBondContact CB-OE1 3.37Å; L108-E279 HydrophobicContact CD1-CG 3.61Å; L108-E279 HydrophobicContact CG-CG 4.07Å; L108-E279 WeakPolarHBondContact CG-OE1 3.44Å; L108-E279 PolarHBondContact N-OE1 3.28Å; L275-E279 PolarHBondContact O-N 3.04Å; D277-E279 PolarHBondContact O-N 3.02Å
280L92Very high93Very high46 Ų4638.1 Ų38.124%0.24121%0.207CC..Hα-helixtrans-76.8-34.8-165.7-173.360.1000114.5R101 K276R101-L280 HydrophobicContact CB-CD1 4.19Å; R101-L280 VanDerWaalsContact NH1-C 3.28Å; R101-L280 VanDerWaalsContact NH1-CA 3.31Å; R101-L280 PolarHBondContact NH1-O 3.41Å; K276-L280 WeakPolarHBondContact O-CB 3.29Å; K276-L280 PolarHBondContact O-N 3.47Å
281K93.6Very high93Very high16 Ų1635.7 Ų35.77%0.0719%0.19CC..SBendtrans-99.7-7.5-168.1-55.8-68.6179.31580113.9L98 V243 F244 D277 G283 T284 V293L98-K281 HydrophobicContact CD2-CD 3.78Å; V243-K281 HydrophobicContact CG1-CB 4.45Å; V243-K281 HydrophobicContact CG1-CD 4.01Å; V243-K281 HydrophobicContact CG1-CG 4.48Å; V243-K281 WeakPolarHBondContact O-CE 3.43Å; V243-K281 PolarHBondContact O-NZ 3.44Å; F244-K281 HydrophobicContact CD1-CB 4.32Å; F244-K281 HydrophobicContact CD1-CG 4.1Å; F244-K281 HydrophobicContact CE1-CB 3.49Å; F244-K281 VanDerWaalsContact CE1-CB 3.49Å; F244-K281 HydrophobicContact CE1-CG 3.77Å; F244-K281 HydrophobicContact CZ-CB 3.96Å; D277-K281 HydrophobicContact CB-CG 4.16Å; D277-K281 VanDerWaalsContact O-CB 3.23Å; D277-K281 WeakPolarHBondContact O-CB 3.26Å; D277-K281 PolarHBondContact O-N 3.39Å; K281-G283 PolarHBondContact O-N 3.18Å; K281-T284 WeakPolarHBondContact O-CB 3.21Å; K281-T284 PolarHBondContact O-N 3.14Å; K281-T284 PolarHBondContact O-OG1 2.91Å; K281-V293 HydrophobicContact CB-CG2 4.35Å
282H93.4Very high92.9Very high27 Ų2732 Ų3213%0.12518%0.176CC..THydrogen-bonded Turntrans-62.3132.4172.3178.746.1000111P99 R121 T284 Y292 V293P99-H282 WeakPolarHBondContact CG-O 3.46Å; R121-H282 PolarHBondContact NE-CD2 3.48Å; R121-H282 VanDerWaalsContact NE-CD2 3.3Å; H282-T284 VanDerWaalsContact C-N 3.33Å; H282-Y292 AromaticContact CE1-CD1 3.44Å; H282-Y292 VanDerWaalsContact CE1-CD1 3.44Å; H282-Y292 WeakPolarHBondContact CE1-CD1 3.48Å; H282-Y292 AromaticContact CE1-CE1 3.59Å; H282-Y292 AromaticContact CE1-CG 3.77Å; H282-V293 HydrophobicContact CB-CB 4.32Å
283G92.2Very high93Very high23 Ų2326.7 Ų26.724%0.23715%0.151CC..THydrogen-bonded Turntrans84.14.1-177.100000114.3K281 F285 I291K281-G283 PolarHBondContact O-N 3.18Å; G283-F285 WeakPolarHBondContact O-CD2 3.37Å; G283-F285 PolarHBondContact O-N 3.48Å; G283-I291 PolarHBondContact N-O 3Å
284T93.7Very high93.1Very high0 Ų025.3 Ų25.30%014%0.142CC..  trans-57.1134.2172.2-59.10000110V96 V97 L98 P99 V243 K281 H282 I286 I291V96-T284 HydrophobicContact CG1-CG2 4.23Å; V97-T284 WeakPolarHBondContact O-CG2 3.45Å; L98-T284 HydrophobicContact CD2-CG2 3.86Å; P99-T284 WeakPolarHBondContact CD-OG1 3.13Å; V243-T284 HydrophobicContact CG1-CG2 4.04Å; V243-T284 HydrophobicContact CG2-CG2 4.1Å; K281-T284 WeakPolarHBondContact O-CB 3.21Å; K281-T284 PolarHBondContact O-N 3.14Å; K281-T284 PolarHBondContact O-OG1 2.91Å; H282-T284 VanDerWaalsContact C-N 3.33Å; T284-I286 HydrophobicContact CG2-CG1 4.26Å; T284-I291 HydrophobicContact CG2-CD1 4.37Å; T284-I291 WeakPolarHBondContact O-CG1 3.48Å; T284-I291 PolarHBondContact O-N 3.03Å
285F92.5Very high93.1Very high95 Ų9525.5 Ų25.542%0.41714%0.143SC..EExtended strand (participates in β ladder)trans-88.2126.9173.3-69.7-98.3000109.6V96 V97 G283 E289V96-F285 WeakPolarHBondContact CA-O 3.46Å; V97-F285 HydrophobicContact CB-CB 4.17Å; V97-F285 PolarHBondContact N-O 2.87Å; V97-F285 PolarHBondContact O-N 3.45Å; G283-F285 WeakPolarHBondContact O-CD2 3.37Å; G283-F285 PolarHBondContact O-N 3.48Å; F285-E289 CarbonylContact C-O 3.57Å; F285-E289 VanDerWaalsContact CA-O 3.3Å; F285-E289 WeakPolarHBondContact CA-O 3.32Å
286I93.6Very high93.1Very high0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-122.7127.1170.9-55.9-176.3000106.2S95 V96 L231 P232 T235 D239 L240 V243 T284 G288 E289 I291S95-I286 CarbonylContact O-C 3.56Å; S95-I286 WeakPolarHBondContact O-CA 3.44Å; V96-I286 HydrophobicContact CG2-CG2 4.5Å; L231-I286 HydrophobicContact CD2-CD1 4.17Å; P232-I286 HydrophobicContact CG-CB 4.46Å; P232-I286 WeakPolarHBondContact CG-O 3.44Å; T235-I286 HydrophobicContact CG2-CG2 4.13Å; D239-I286 HydrophobicContact CB-CG2 4.27Å; L240-I286 HydrophobicContact CD2-CD1 4.32Å; V243-I286 HydrophobicContact CG2-CD1 3.97Å; V243-I286 HydrophobicContact CG2-CG1 4.3Å; T284-I286 HydrophobicContact CG2-CG1 4.26Å; I286-G288 PolarHBondContact O-N 2.96Å; I286-E289 PolarHBondContact N-O 3.31Å; I286-E289 PolarHBondContact O-N 3.48Å; I286-I291 HydrophobicContact CB-CG2 4.32Å; I286-I291 HydrophobicContact CD1-CD1 3.99Å; I286-I291 HydrophobicContact CD1-CG2 3.9Å; I286-I291 HydrophobicContact CG1-CD1 4.48Å; I286-I291 HydrophobicContact CG1-CG2 3.96Å
287H91Very high92.9Very high76 Ų7626.8 Ų26.835%0.35215%0.153SC..THydrogen-bonded Turntrans47.535.6-174.9-57.4-73.5000113.4S95 P232 A234 D239 E289S95-H287 PolarHBondContact O-N 2.9Å; S95-H287 VanDerWaalsContact OG-CA 3.24Å; S95-H287 WeakPolarHBondContact OG-CA 3.41Å; S95-H287 PolarHBondContact OG-CE1 2.88Å; S95-H287 PolarHBondContact OG-N 3.16Å; S95-H287 PolarHBondContact OG-ND1 3.01Å; P232-H287 HydrophobicContact CB-CB 4.07Å; P232-H287 HydrophobicContact CG-CB 3.85Å; A234-H287 PolarHBondContact O-NE2 3.12Å; D239-H287 IonicContact OD2-CD2 3.33Å; D239-H287 IonicContact OD2-CE1 3.64Å; D239-H287 IonicContact OD2-NE2 3.71Å; D239-H287 PolarHBondContact OD2-NE2 3.16Å; H287-E289 VanDerWaalsContact C-N 3.33Å; H287-E289 PolarHBondContact O-N 3.08Å
288G87.8Confident92.6Very high58 Ų5831.4 Ų31.460%0.59817%0.172SC*.THydrogen-bonded Turntrans80.40.7179.300000116.1I286I286-G288 PolarHBondContact O-N 2.96Å
289E88.6Confident91.5Very high38 Ų3838 Ų3818%0.17821%0.207CC..EExtended strand (participates in β ladder)trans-108138.7174.8-55.4178.8-159.900111.2V152 P232 F285 I286 H287V152-E289 HydrophobicContact CG1-CB 3.8Å; V152-E289 HydrophobicContact CG1-CG 3.74Å; P232-E289 HydrophobicContact CB-CG 4.49Å; P232-E289 HydrophobicContact CG-CB 3.91Å; P232-E289 HydrophobicContact CG-CG 4.05Å; F285-E289 CarbonylContact C-O 3.57Å; F285-E289 VanDerWaalsContact CA-O 3.3Å; F285-E289 WeakPolarHBondContact CA-O 3.32Å; I286-E289 PolarHBondContact N-O 3.31Å; I286-E289 PolarHBondContact O-N 3.48Å; H287-E289 VanDerWaalsContact C-N 3.33Å; H287-E289 PolarHBondContact O-N 3.08Å
290S92.2Very high89.7Confident31 Ų3142 Ų4222%0.21724%0.235CC..EExtended strand (participates in β ladder)trans-80.4131.4176.960.30000112.3K168K168-S290 PolarHBondContact NZ-OG 3.19Å
291I93.9Very high87.6Confident0 Ų048.8 Ų48.80%026%0.262CS..PPolyproline II helixtrans-93.9147.4-17976.3-175.6000112.2V228 L231 V243 F244 G283 T284 I286 V293V228-I291 HydrophobicContact CG1-CB 4.05Å; V228-I291 HydrophobicContact CG1-CD1 3.9Å; V228-I291 HydrophobicContact CG1-CG1 4.21Å; L231-I291 HydrophobicContact CD2-CB 4.36Å; L231-I291 HydrophobicContact CD2-CG2 3.71Å; V243-I291 HydrophobicContact CG1-CD1 4.48Å; F244-I291 HydrophobicContact CE2-CD1 4.14Å; F244-I291 HydrophobicContact CZ-CD1 4Å; G283-I291 PolarHBondContact N-O 3Å; T284-I291 HydrophobicContact CG2-CD1 4.37Å; T284-I291 WeakPolarHBondContact O-CG1 3.48Å; T284-I291 PolarHBondContact O-N 3.03Å; I286-I291 HydrophobicContact CB-CG2 4.32Å; I286-I291 HydrophobicContact CD1-CD1 3.99Å; I286-I291 HydrophobicContact CD1-CG2 3.9Å; I286-I291 HydrophobicContact CG1-CD1 4.48Å; I286-I291 HydrophobicContact CG1-CG2 3.96Å; I291-V293 HydrophobicContact CD1-CG2 4.26Å; I291-V293 HydrophobicContact CG1-CG2 4.23Å
292Y93.4Very high84.9Confident11 Ų1157.5 Ų57.54%0.04330%0.3CS..EExtended strand (participates in β ladder)trans-98.3134.8168.2-83.3-111.6000110R121 E124 M125 H128 V228 L229 H230 H282R121-Y292 HydrophobicContact CG-CD1 4.04Å; R121-Y292 HydrophobicContact CG-CE1 4.19Å; E124-Y292 PolarHBondContact OE1-OH 3Å; M125-Y292 HydrophobicContact CB-CD1 3.94Å; M125-Y292 HydrophobicContact CB-CE1 3.88Å; M125-Y292 HydrophobicContact CG-CD1 4.2Å; M125-Y292 HydrophobicContact CG-CE1 4.46Å; H128-Y292 PolarHBondContact ND1-OH 3.47Å; V228-Y292 CarbonylContact C-O 3.59Å; V228-Y292 VanDerWaalsContact CA-O 3.24Å; V228-Y292 WeakPolarHBondContact CA-O 3.37Å; V228-Y292 WeakPolarHBondContact CG1-O 3.18Å; L229-Y292 PolarHBondContact N-O 2.76Å; L229-Y292 PolarHBondContact O-N 3.46Å; H230-Y292 AromaticContact CD2-CD2 3.44Å; H230-Y292 VanDerWaalsContact CD2-CD2 3.44Å; H230-Y292 WeakPolarHBondContact CD2-CD2 3.42Å; H230-Y292 AromaticContact CD2-CG 3.85Å; H282-Y292 AromaticContact CE1-CD1 3.44Å; H282-Y292 VanDerWaalsContact CE1-CD1 3.44Å; H282-Y292 WeakPolarHBondContact CE1-CD1 3.48Å; H282-Y292 AromaticContact CE1-CE1 3.59Å; H282-Y292 AromaticContact CE1-CG 3.77Å
293V95.8Very high82.1Confident0 Ų064 Ų640%033%0.334CS..EExtended strand (participates in β ladder)trans-117.1118.9176.6-1780000107.3R121 L226 V228 F244 K281 H282 I291R121-V293 WeakPolarHBondContact CD-O 3.25Å; R121-V293 PolarHBondContact NH1-O 2.92Å; L226-V293 HydrophobicContact CB-CG1 4.29Å; L226-V293 HydrophobicContact CD1-CG1 3.73Å; L226-V293 HydrophobicContact CD2-CG1 4.48Å; L226-V293 HydrophobicContact CG-CG1 4.4Å; V228-V293 HydrophobicContact CG1-CG2 4.47Å; V228-V293 HydrophobicContact CG2-CG2 4.43Å; F244-V293 HydrophobicContact CE1-CG1 4.49Å; F244-V293 HydrophobicContact CE1-CG2 4.21Å; F244-V293 HydrophobicContact CZ-CG2 3.82Å; K281-V293 HydrophobicContact CB-CG2 4.35Å; H282-V293 HydrophobicContact CB-CB 4.32Å; I291-V293 HydrophobicContact CD1-CG2 4.26Å; I291-V293 HydrophobicContact CG1-CG2 4.23Å
294M94.8Very high79.4Confident6 Ų665.8 Ų65.83%0.0334%0.343CS..EExtended strand (participates in β ladder)trans-130.2157.9-177.5-62.6-85.940.100111I118 R121 L122 L226 H227 F278I118-M294 HydrophobicContact CG2-CE 4.42Å; R121-M294 HydrophobicContact CB-CE 3.76Å; R121-M294 HydrophobicContact CB-SD 3.82Å; R121-M294 HydrophobicContact CG-CE 3.92Å; R121-M294 HydrophobicContact CG-SD 3.66Å; L122-M294 HydrophobicContact CD2-SD 4Å; L122-M294 HydrophobicContact CG-SD 4.16Å; L226-M294 CarbonylContact C-O 3.52Å; L226-M294 WeakPolarHBondContact CA-O 3.48Å; H227-M294 PolarHBondContact N-O 3.26Å; H227-M294 PolarHBondContact O-N 3.23Å; F278-M294 HydrophobicContact CD2-CE 4.38Å; F278-M294 HydrophobicContact CE2-CE 3.35Å; F278-M294 HydrophobicContact CZ-CE 3.94Å
295F95.9Very high76.7Confident5 Ų571.4 Ų71.42%0.02237%0.372CS..EExtended strand (participates in β ladder)trans-70.6142.3166.4-75-81.6000109.9L114 I118 F221 D222 M223 L226 A274 L275 F278 L297L114-F295 HydrophobicContact CD1-CE2 3.94Å; I118-F295 HydrophobicContact CD1-CD2 3.52Å; I118-F295 HydrophobicContact CD1-CE2 4.03Å; I118-F295 HydrophobicContact CD1-CG 4.38Å; I118-F295 HydrophobicContact CG1-CD2 3.85Å; I118-F295 HydrophobicContact CG1-CE2 4.36Å; F221-F295 HydrophobicContact CB-CB 4Å; F221-F295 HydrophobicContact CD1-CB 4.03Å; F221-F295 HydrophobicContact CG-CB 4.29Å; D222-F295 WeakPolarHBondContact O-CD1 3.43Å; M223-F295 HydrophobicContact CE-CG 4.44Å; M223-F295 WeakPolarHBondContact O-CE1 3.41Å; M223-F295 HydrophobicContact SD-CD1 4.47Å; M223-F295 HydrophobicContact SD-CE1 4.44Å; L226-F295 HydrophobicContact CD2-CD1 3.62Å; L226-F295 HydrophobicContact CD2-CD2 4.45Å; L226-F295 HydrophobicContact CD2-CE1 3.69Å; L226-F295 HydrophobicContact CD2-CE2 4.49Å; L226-F295 HydrophobicContact CD2-CG 4.05Å; L226-F295 HydrophobicContact CD2-CZ 4.14Å; A274-F295 HydrophobicContact CB-CE1 4.02Å; L275-F295 HydrophobicContact CD1-CZ 4.44Å; F278-F295 HydrophobicContact CB-CE2 3.92Å; F278-F295 HydrophobicContact CB-CZ 4.07Å; F278-F295 AromaticContact CD1-CE2 4Å; F278-F295 HydrophobicContact CD1-CE2 4Å; F278-F295 AromaticContact CD2-CD2 3.54Å; F278-F295 HydrophobicContact CD2-CD2 3.54Å; F278-F295 AromaticContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CE2 3.43Å; F278-F295 VanDerWaalsContact CD2-CE2 3.43Å; F278-F295 HydrophobicContact CD2-CZ 4.34Å; F278-F295 HydrophobicContact CE1-CE2 4.38Å; F278-F295 AromaticContact CE2-CD2 3.65Å; F278-F295 HydrophobicContact CE2-CD2 3.65Å; F278-F295 AromaticContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CE2-CE2 3.81Å; F278-F295 HydrophobicContact CG-CD2 4.13Å; F278-F295 AromaticContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CE2 3.52Å; F278-F295 HydrophobicContact CG-CZ 4.18Å; F278-F295 HydrophobicContact CZ-CD2 4.39Å; F278-F295 HydrophobicContact CZ-CE2 4.31Å; F295-L297 PolarHBondContact O-N 3.17Å
296L94.1Very high74.2Confident48 Ų4876.1 Ų76.125%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-66.7129.3178.8-177.969000109.5F221 D222 S225 H227 T265F221-L296 CarbonylContact C-O 3.56Å; F221-L296 WeakPolarHBondContact CA-O 3.43Å; D222-L296 HydrophobicContact CB-CB 4.43Å; D222-L296 PolarHBondContact N-O 2.62Å; S225-L296 PolarHBondContact O-N 3.49Å; H227-L296 HydrophobicContact CB-CD1 4.05Å; T265-L296 HydrophobicContact CG2-CD1 4.21Å; T265-L296 HydrophobicContact CG2-CD2 3.84Å
297L90.4Very high71.7Confident58 Ų5882 Ų8230%0.30442%0.418SS..EExtended strand (participates in β ladder)trans-73.4128.8172.8-161.470.6000109.7R216 D220 F221 F295 N299R216-L297 VanDerWaalsContact CZ-CD2 3.48Å; R216-L297 VanDerWaalsContact NH1-CD2 3.27Å; D220-L297 HydrophobicContact CB-CD1 3.94Å; D220-L297 WeakPolarHBondContact O-CD1 3.35Å; F221-L297 HydrophobicContact CD1-CD1 3.87Å; F221-L297 HydrophobicContact CE1-CD1 3.74Å; F221-L297 HydrophobicContact CG-CD1 4.43Å; F221-L297 HydrophobicContact CZ-CD1 4.19Å; F295-L297 PolarHBondContact O-N 3.17Å; L297-N299 PolarHBondContact O-N 3.14Å
298K88.1Confident69.6Low105 Ų10581.6 Ų81.646%0.45743%0.428SS..PPolyproline II helixtrans-68.6126.5170.1-64.5179.1-172.2145.80107.8S219 D220 F221 D222 P300S219-K298 WeakPolarHBondContact O-CD 3.33Å; S219-K298 PolarHBondContact O-NZ 3.16Å; D220-K298 WeakPolarHBondContact O-CB 3.3Å; D220-K298 PolarHBondContact O-N 3.49Å; F221-K298 WeakPolarHBondContact O-CE 3.33Å; F221-K298 PolarHBondContact O-NZ 3.04Å; D222-K298 HydrophobicContact CB-CG 4.18Å; K298-P300 WeakPolarHBondContact O-CD 3.45Å
299N71.4Confident67.5Low137 Ų13786.1 Ų86.173%0.73343%0.432SS*.PPolyproline II helixtrans-72.7124.8168.2-72.3-29000108.1L297 K301L297-N299 PolarHBondContact O-N 3.14Å; N299-K301 PolarHBondContact O-N 3.36Å
300P55.1Low65.6Low101 Ų10193 Ų9366%0.65646%0.456SS*.SBendtrans-63.5110.4169.625.6-31.2000107.8K298K298-P300 WeakPolarHBondContact O-CD 3.45Å
301K48.4Very low63.5Low189 Ų18999.4 Ų99.482%0.82248%0.482SS*.  trans74.1113.1175.5-48172.7-176.7179.40112.7N299N299-K301 PolarHBondContact O-N 3.36Å
302K37.3Very low61.4Low200 Ų200102.6 Ų102.687%0.8751%0.509SS*.  -118.3102.652.3-57.3177.3-178.7-175.70111S304K302-S304 PolarHBondContact O-N 3.44Å
303I33.8Very low59.4Low162 Ų162105.3 Ų105.383%0.83153%0.529SS*.  trans-6393.4146.8-66.8164.7000103.8I305I303-I305 PolarHBondContact O-N 3.16Å; I303-I305 VanDerWaalsContact O-N 3.15Å
304S34.8Very low57.1Low62 Ų62112 Ų11243%0.43457%0.566SS.*  trans-61.9115.3169.8146.70000105.8K302 R306K302-S304 PolarHBondContact O-N 3.44Å; S304-R306 PolarHBondContact O-N 3.19Å; S304-R306 WeakPolarHBondContact OG-CB 3.24Å; S304-R306 WeakPolarHBondContact OG-CG 3.38Å; S304-R306 PolarHBondContact OG-N 3.26Å
305I38.5Very low55.1Low118 Ų118117.4 Ų117.461%0.60559%0.593SS**THydrogen-bonded Turntrans-52.41.4173.4-67.1164.5000113.2I303 N307 A308 K309I303-I305 PolarHBondContact O-N 3.16Å; I303-I305 VanDerWaalsContact O-N 3.15Å; I305-N307 PolarHBondContact O-N 3.03Å; I305-N307 VanDerWaalsContact O-N 3.16Å; I305-A308 HydrophobicContact CG2-CB 4.48Å; I305-A308 PolarHBondContact O-N 3.02Å; I305-K309 PolarHBondContact O-N 3.33Å
306R39Very low52.6Low193 Ų193126.9 Ų126.973%0.72863%0.63SS**THydrogen-bonded Turntrans-59.5-24176.9-70.1-177.3-158.1-176.14.2115.2S304 R310S304-R306 PolarHBondContact O-N 3.19Å; S304-R306 WeakPolarHBondContact OG-CB 3.24Å; S304-R306 WeakPolarHBondContact OG-CG 3.38Å; S304-R306 PolarHBondContact OG-N 3.26Å; R306-R310 WeakPolarHBondContact O-CG 3.47Å
307N42.5Very low50.3Low123 Ų123133.5 Ų133.566%0.65866%0.66SS**THydrogen-bonded Turntrans-93.4-23.5175.1-720.3000113.6I305I305-N307 PolarHBondContact O-N 3.03Å; I305-N307 VanDerWaalsContact O-N 3.16Å
308A45.2Very low48Very low68 Ų68139.6 Ų139.656%0.56269%0.689SS**Hα-helixtrans-75.6-32.4171.800000111.6I305 R310 A312I305-A308 HydrophobicContact CG2-CB 4.48Å; I305-A308 PolarHBondContact O-N 3.02Å; A308-R310 PolarHBondContact O-N 2.99Å; A308-A312 PolarHBondContact O-N 3.23Å
309K44.8Very low45.9Very low154 Ų154142.6 Ų142.667%0.6771%0.71SS**Hα-helixtrans-74.4-20.1175.7-109.2-176.9178.8-175.60114.6I305 S313I305-K309 PolarHBondContact O-N 3.33Å; K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 3.14Å; K309-S313 VanDerWaalsContact O-N 3.09Å; K309-S313 PolarHBondContact O-OG 3.47Å
310R47.4Very low45.1Very low181 Ų181142.1 Ų142.168%0.68371%0.712SS**Hα-helixtrans-81.1-22.4177.9-77.7-179.7178.3-179-2.9114R306 A308R306-R310 WeakPolarHBondContact O-CG 3.47Å; A308-R310 PolarHBondContact O-N 2.99Å
311Q49Very low44.6Very low166 Ų166143.7 Ų143.778%0.77672%0.715SS**Hα-helixtrans-92-16.5170.5-72.7-172.1-5.700112.8
312A48.8Very low44.6Very low67 Ų67140.8 Ų140.855%0.55472%0.718SS**Hα-helixtrans-91.6-16.2174.300000113.9A308A308-A312 PolarHBondContact O-N 3.23Å
313S51.7Low45.3Very low68 Ų68137 Ų13748%0.47671%0.712SS.*G310 helixtrans-88.1-10.6178.760.30000114.9K309 I315K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 3.14Å; K309-S313 VanDerWaalsContact O-N 3.09Å; K309-S313 PolarHBondContact O-OG 3.47Å; S313-I315 VanDerWaalsContact C-N 3.26Å; S313-I315 PolarHBondContact O-N 3.08Å
314D48.8Very low45.8Very low142 Ų142134.3 Ų134.376%0.75971%0.705SS**G310 helixtrans-90.215.3176.8-72-11.7000112.8
315I52.7Low46.4Very low119 Ų119138.2 Ų138.261%0.6173%0.726SS**G310 helixtrans-112.4-3.7-178.7-65.6177.5000113S313S313-I315 VanDerWaalsContact C-N 3.26Å; S313-I315 PolarHBondContact O-N 3.08Å
316Y43.2Very low46.6Very low204 Ų204138.5 Ų138.580%0.874%0.736SS**SBendtrans-149.782.2173.8-71.2-83000111.6
317Q45.2Very low46.8Very low187 Ų187138 Ų13887%0.87474%0.741SS**  trans-174.882.7155.6-116.7180-31.300109.8
318M42.6Very low47Very low185 Ų185140.2 Ų140.291%0.91175%0.745SS**  trans-168.775.6143.5-74.7-14179.400107
319D43.2Very low47.2Very low168 Ų168142.9 Ų142.990%0.89875%0.75SS**  trans-131.5103.5155.3-93.8-39000105.5
320V54.9Low47.3Very low128 Ų128144.1 Ų144.178%0.77676%0.755SS**  trans-139.4110.6164.1-168.20000107
321D44.7Very low47.1Very low134 Ų134141.6 Ų141.672%0.71776%0.764SS**  trans5199.8152.8-63.7-29.6000119.3
322S47.8Very low47Very low127 Ų127137.3 Ų137.389%0.88876%0.757SS**  trans-134.996.4137.1-68.30000108.1
323T52.7Low46.9Very low120 Ų120144.1 Ų144.174%0.73677%0.774SS**  trans-58.6169.7167.845.60000112.2
324P43.5Very low46.6Very low107 Ų107144.7 Ų144.770%0.69578%0.783SS**  cis-137.6160.3-48.737.2-21.3000111.1
325T49.1Very low46.5Very low143 Ų143144.3 Ų144.388%0.87779%0.785SS**  trans-176130.7142.323.50000108.9
326P40.9Very low46.4Very low124 Ų124144.2 Ų144.281%0.80579%0.79SS**  trans-99.9127.7177.634.4-25.2000110.4
327H44.5Very low46.4Very low182 Ų182140 Ų14084%0.84378%0.782SS**  trans-143.6140.2150.8-145-82.1000111.3
328K45.6Very low46.7Very low171 Ų171139.1 Ų139.174%0.74378%0.777SS**  trans-77.4171-166-70.2170.4171.6171.50113.1
329D49.1Very low46.9Very low124 Ų124135.3 Ų135.366%0.66377%0.766SS**  trans91.3140.3157.1-52.5-44.6000114.6
330K48Very low47.3Very low179 Ų179134.5 Ų134.578%0.77876%0.76SS**  cis169.1148.6-19.3-113.6178.1-177.1177.30103.1
331C43Very low46.8Very low129 Ų129133.4 Ų133.487%0.87276%0.756SS**  trans72.5152.2165.9-61.30000117.2
332A46.5Very low46.5Very low76 Ų76135.4 Ų135.463%0.62876%0.763SS**  cis176.6143-24.900000105.7
333K47.9Very low46.1Very low210 Ų210134.4 Ų134.491%0.91376%0.756SS**  trans67.6153.6157.9-65.3172.4-177.8178.40115.8
334A45.3Very low45.4Very low79 Ų79135.4 Ų135.465%0.65376%0.755SS**  cis-175.9144.4-3.200000107.9
335V46.7Very low45.1Very low134 Ų134136.8 Ų136.881%0.81276%0.757SS**  trans71.2149.3137.5-170.30000120
336V49.7Very low44.4Very low118 Ų118134.9 Ų134.972%0.71575%0.749SS**  trans118.297.7151.3-170.10000116.4
337D44.5Very low44.1Very low116 Ų116138.8 Ų138.862%0.6275%0.754SS**  59.9122.6126.7-62.5-34.5000126
338H51.4Low43.8Very low168 Ų168137 Ų13778%0.77875%0.75SS**  91.9152.6119.9-73.75.8000122.2
339P45.3Very low43.7Very low105 Ų105134 Ų13468%0.68275%0.748SS**  trans-131.3-175.5-137.135.8-13.7000117.4
340I51.8Low43Very low150 Ų150135.2 Ų135.277%0.76975%0.75SS**  trans76.9165.4157.9-15.9-179.7000118.5
341P45.7Very low42.5Very low106 Ų106135.9 Ų135.969%0.68875%0.754SS**  -120.1-175.4-92.338.6-21.8000113.3
342M38.3Very low42.3Very low176 Ų176138.4 Ų138.487%0.86775%0.75SS**  170.9135.5126-86.7-152.7-51.200112.4
343S38.5Very low42.1Very low105 Ų105141.9 Ų141.973%0.73476%0.756SS**  trans37.8126.6141.7-136.40000121.6
344I38.1Very low41.8Very low141 Ų141136.2 Ų136.272%0.72375%0.749SS**  154.7138.796.9-158.8147.5000112.7
345D36.3Very low41.6Very low136 Ų136142.7 Ų142.773%0.72776%0.762SS**  trans62.4126149.4-74.8-12.9000124.9
346S34.7Very low41.5Very low103 Ų103141.9 Ų141.972%0.7276%0.762SS**  67.7107.9122.7-1600000119.7
347F36.3Very low41.2Very low207 Ų207144.7 Ų144.791%0.90877%0.772SS**  trans-144.5110.3151.3-93.7-84000110.6
348D37.3Very low40.8Very low143 Ų143143.5 Ų143.577%0.76578%0.778SS**  trans-78.4161.3138.5-122.6-21.8000106.7
349P44Very low40.6Very low108 Ų108145.6 Ų145.670%0.70179%0.785SS**  -161-175.865.139.3-14.6000118
350E33.2Very low40.6Very low151 Ų151146.5 Ų146.571%0.70679%0.794SS**  trans-36.5148.3167.6-69.2177.5115.100118
351F38.7Very low40Very low192 Ų192143.1 Ų143.184%0.84280%0.796SS**  trans-133.7115.4147.9-100-85.7000112I353F351-I353 HydrophobicContact CD1-CD1 4.21Å; F351-I353 HydrophobicContact CD1-CG1 4.4Å; F351-I353 HydrophobicContact CE1-CD1 4.37Å
352K38.6Very low40.1Very low182 Ų182148 Ų14879%0.79181%0.806SS**  trans-100.1123.6161.4-79.6175.4179163.30108.9
353I42.3Very low40.1Very low149 Ų149145 Ų14576%0.76480%0.8SS**  trans-160.3142.9158.3-53.2-178.4000106.1F351F351-I353 HydrophobicContact CD1-CD1 4.21Å; F351-I353 HydrophobicContact CD1-CG1 4.4Å; F351-I353 HydrophobicContact CE1-CD1 4.37Å
354A41.4Very low40.5Very low91 Ų91148.6 Ų148.675%0.75281%0.81SS**  cis-167.2161.4-2600000105.7
355K40.4Very low40.8Very low216 Ų216151.3 Ų151.394%0.93982%0.817SS**  trans-75.8140.3170.7-84.4170.4169.9171.20111
356S45.8Very low41.4Very low116 Ų116154.8 Ų154.881%0.81183%0.826SS**  trans-140.7106.8151.354.90000107.5
357L41.7Very low41.9Very low178 Ų178159.9 Ų159.993%0.93284%0.835SS**  64.3114.891.7-154.872.4000114.2
358A37.4Very low42.4Very low90 Ų90155.6 Ų155.674%0.74483%0.83SS**  trans-66.2148.1-177.100000114.1
359K46.3Very low42.9Very low213 Ų213158.4 Ų158.493%0.92684%0.836SS**  trans-140.7137.6140.1-76.8-167179.91750111.1
360S44.8Very low42.7Very low123 Ų123159.8 Ų159.886%0.8684%0.842SS**  trans-62.2149.4-176.951.40000115.5
361G39.7Very low43Very low79 Ų79156.6 Ų156.681%0.81484%0.841SS**  trans-174.595.9166.300000112.8
362K47.6Very low43.1Very low208 Ų208153.3 Ų153.390%0.90484%0.837SS**  trans-14.6155.4178.2-69.9173.3-179.5176.90122.3
363P39.3Very low43.2Very low113 Ų113150.7 Ų150.773%0.73484%0.836SS**  trans-100.1149.5-165.638.7-30.1000114.2
364L47.5Very low43.3Very low182 Ų182151.8 Ų151.895%0.95384%0.838SS**  trans-108.3112.2163.6-91160.7000110.1
365K44Very low43Very low197 Ų197158 Ų15886%0.85784%0.842SS**  trans-68.9122.6172.8-64.8179.9177.1177.60109.7
366K48.3Very low43Very low210 Ų210155 Ų15591%0.91384%0.836SS**  trans-133.6122.9152-95.8-177.3179175.10110
367K45.7Very low43Very low210 Ų210156.8 Ų156.891%0.91384%0.835SS**  trans-66121.5-176.8-62174.3175.5178.60109.8
368S46Very low43.1Very low117 Ų117153.9 Ų153.982%0.81883%0.827SS**  trans-85.7110.6163.656.50000108.9
369K48.8Very low43.4Very low201 Ų201157 Ų15787%0.87483%0.831SS**  trans-69.6128.9164.4-90.3179.7173.1179.10108.7A371K369-A371 PolarHBondContact O-N 3.01Å
370V38Very low43Very low137 Ų137151.5 Ų151.583%0.8382%0.817SS**  trans-58.4125.3161.6173.50000107.9
371A40.3Very low42.7Very low84 Ų84153.5 Ų153.569%0.69482%0.817SS**  trans-130.1106.116900000108.6K369 V373K369-A371 PolarHBondContact O-N 3.01Å; A371-V373 PolarHBondContact O-N 2.71Å
372T40.9Very low42.7Very low123 Ų123156.5 Ų156.576%0.75582%0.819SS**  trans-61.2113.9166.1-52.10000108.4H374T372-H374 PolarHBondContact O-N 3.37Å
373V41.2Very low42.2Very low127 Ų127153.3 Ų153.377%0.7781%0.812SS**  trans-90.7100.2173.91800000108.3A371A371-V373 PolarHBondContact O-N 2.71Å
374H43.8Very low42.8Very low172 Ų172155.7 Ų155.780%0.79682%0.817SS**  trans-56.7127.7157.7-105.7-96000108.8T372T372-H374 PolarHBondContact O-N 3.37Å
375R36.4Very low42.9Very low221 Ų221155.8 Ų155.883%0.83481%0.81SS**  trans-81.7124.8162.9-72.3-174.9170151.8-1.3106.9
376D40.3Very low42.9Very low154 Ų154150.4 Ų150.482%0.82479%0.785SS**  trans155.6105.4149.7-76.7-22.2000108.2
377I44.5Very low42.6Very low153 Ų153148.1 Ų148.179%0.78578%0.777SS**  trans-166.1122.3148.2-79.9129.8000105.7
378P44.9Very low42.4Very low117 Ų117142 Ų14276%0.7675%0.754SS**PPolyproline II helixtrans-81.9125.1163.131.4-25.3000108.7P380P378-P380 VanDerWaalsContact O-CD 3.29Å; P378-P380 WeakPolarHBondContact O-CD 3.47Å
379D42.4Very low42.3Very low155 Ų155142.9 Ų142.983%0.82975%0.745SS**PPolyproline II helixtrans-63.7121.7171.6-100.8-20.8000110.1
380P37.5Very low41.9Very low98 Ų98139.4 Ų139.464%0.63673%0.732SS**PPolyproline II helixtrans-79.4163.5155.234.4-25.9000108.3P378P378-P380 VanDerWaalsContact O-CD 3.29Å; P378-P380 WeakPolarHBondContact O-CD 3.47Å
381L39.4Very low41.7Very low166 Ų166143.1 Ų143.187%0.86974%0.737SS**  trans10050.1169.9-47.3174.4000118.4
382V40.9Very low41.9Very low142 Ų142144 Ų14486%0.86174%0.738SS**  trans-148.675.8147.6-168.70000110.4
383N36.6Very low42Very low141 Ų141144.9 Ų144.975%0.75474%0.743SS**  trans-160.973.1166.7-116.3-4.6000113.5
384I51.2Low41.8Very low162 Ų162148.6 Ų148.683%0.83175%0.749SS**SBendtrans-130.9-7.5167.5-57.1179.6000112.4
385K49.8Very low41.7Very low185 Ų185152.3 Ų152.380%0.80476%0.756SS**SBendtrans-108.86-167.9-131.9175-175.3174.60117.3
386Y44.5Very low42Very low83 Ų83152 Ų15233%0.32576%0.761SS.*  trans-137.382178.6-59.8-75.8000110N138 L143 N188N138-Y386 PolarHBondContact O-OH 3.02Å; L143-Y386 HydrophobicContact CD2-CD1 4.14Å; L143-Y386 HydrophobicContact CD2-CD2 4.47Å; L143-Y386 HydrophobicContact CD2-CE1 4.48Å; L143-Y386 HydrophobicContact CD2-CG 4.14Å; N188-Y386 VanDerWaalsContact OD1-CD1 3.31Å; N188-Y386 WeakPolarHBondContact OD1-CD1 3.43Å; N188-Y386 WeakPolarHBondContact OD1-CE1 3.4Å
387Q40.7Very low42.2Very low163 Ų163150.9 Ų150.976%0.76277%0.765SS**  trans-88.6122168.6-67.6-156.349.400109.5
388L42Very low42Very low80 Ų80149.1 Ų149.142%0.41977%0.766SS.*  trans-79.2112.1167.5-93.2146.2000107.5L147 K185 L186L147-L388 HydrophobicContact CD2-CD1 4.03Å; L147-L388 HydrophobicContact CD2-CD2 4.19Å; K185-L388 HydrophobicContact CB-CD2 4.38Å; K185-L388 HydrophobicContact CD-CD2 4.44Å; L186-L388 WeakPolarHBondContact O-CD2 3.5Å
389E43.2Very low42.1Very low137 Ų137149.4 Ų149.464%0.6477%0.771SS**  trans-93.3116.5172.4-72.9-79149.600108.8
390E40.6Very low42Very low128 Ų128151.8 Ų151.860%0.59877%0.774SS**  trans-98.7126.3170.5-71.3-171.116700109.9K185K185-E390 WeakPolarHBondContact CE-OE1 3.39Å; K185-E390 IonicContact NZ-OE1 2.66Å
391K35.6Very low42.1Very low214 Ų214151.6 Ų151.693%0.9378%0.775SS**  trans-89108.6166.6-73.9-177.1177.3179.30108.4
392S43.8Very low42.5Very low103 Ų103152 Ų15272%0.7278%0.776SS**  trans-143.7142169.544.90000114.1
393V42.7Very low42.6Very low142 Ų142154.9 Ų154.986%0.86178%0.777SS**  trans-73.7139.5-165.2168.80000111.5R395V393-R395 PolarHBondContact O-N 3.02Å
394K37.9Very low42.7Very low205 Ų205155 Ų15589%0.89178%0.778SS**  trans-54.7114.2-179.1-73.4174.6175.6171.90113.5
395R41.8Very low42.1Very low250 Ų250153 Ų15394%0.94378%0.778SS**  trans-146.4128.6145.5-70.2-166174154-1.9110.1V393V393-R395 PolarHBondContact O-N 3.02Å
396K41.8Very low41.5Very low215 Ų215151.6 Ų151.694%0.93578%0.779SS**  trans-99.5132.4-176.8-81.4178.9172178.90111
397S45.4Very low41.3Very low129 Ų129156.9 Ų156.990%0.90280%0.804SS**  trans-159.1135.8147.554.70000110
398S38.7Very low41.5Very low116 Ų116158.7 Ų158.781%0.81181%0.812SS**  trans-101.1148.7-163.4670000114.8
399S46.7Very low41.2Very low123 Ų123160.1 Ų160.186%0.8683%0.827SS**  trans-165.215213754.70000110.7
400K41.7Very low40.8Very low206 Ų206159.5 Ų159.590%0.89684%0.837SS**  trans-95139.5-151-63157.7172.8172.30113.2
401S39.5Very low40.8Very low94 Ų94159.7 Ų159.766%0.65785%0.847SS**  trans-159.3100.3150.669.90000114.3F403S401-F403 VanDerWaalsContact C-N 3.27Å; S401-F403 PolarHBondContact O-N 3.03Å
402I46.8Very low41Very low175 Ų175153.7 Ų153.790%0.89785%0.846SS**SBendtrans48.4-7.1138.9-52.2177.3000121.3
403F44.5Very low41.1Very low202 Ų202152.7 Ų152.789%0.88684%0.844SS**  trans-105.46.2174-118.7-88.9000114.5S401 S405S401-F403 VanDerWaalsContact C-N 3.27Å; S401-F403 PolarHBondContact O-N 3.03Å; F403-S405 PolarHBondContact O-N 3.21Å; F403-S405 VanDerWaalsContact O-N 3.12Å
404D37.5Very low41.2Very low142 Ų142153.4 Ų153.476%0.75984%0.843SS**  trans-87.552.6-171.4-80.7-33.8000114.6
405S38.1Very low41.6Very low121 Ų121149.5 Ų149.585%0.84683%0.832SS**  trans-107.424174-66.30000114.6F403F403-S405 PolarHBondContact O-N 3.21Å; F403-S405 VanDerWaalsContact O-N 3.12Å
406L37.2Very low41.7Very low155 Ų155145.6 Ų145.681%0.81282%0.821SS**SBendtrans-130.816.4-175.7-113.8139.6000116.1
407F40.7Very low41.8Very low194 Ų194144.9 Ų144.985%0.85182%0.818SS**  trans-140.5108.8169.4-72.8-80.9000110.9
408Q44.6Very low41.9Very low201 Ų201147.1 Ų147.194%0.93982%0.815SS**  trans-79.3136.5168.3-75.1-175.2-23.700110.3
409P36.1Very low42.1Very low111 Ų111150.7 Ų150.772%0.72182%0.816SS**  trans-114.7122.6152.629.7-16.3000110.3T411P409-T411 PolarHBondContact O-N 3.34Å
410S36.1Very low41.9Very low123 Ų123153.8 Ų153.886%0.8681%0.813SS**  trans-67.7120.3169.458.40000110.3
411T39.7Very low42Very low133 Ų133152.9 Ų152.982%0.81681%0.81SS**  trans-125.3112.3161.553.40000109P409P409-T411 PolarHBondContact O-N 3.34Å
412G40.2Very low42.1Very low87 Ų87154 Ų15490%0.89781%0.813SS**  trans-81.5126.6163.300000109.8
413A44.4Very low41.8Very low82 Ų82154.6 Ų154.668%0.67881%0.809SS**  trans-88.4146.5172.900000110.7
414N44.8Very low42Very low157 Ų157150 Ų15084%0.8480%0.802SS**  169.595.3113.8-82.9-28.3000112.6
415D46.3Very low42.3Very low123 Ų123149.4 Ų149.466%0.65880%0.798SS**  30.1136.6120-102.1-1.6000123.9
416K45.8Very low42.7Very low168 Ų168150.2 Ų150.273%0.7379%0.792SS**  trans77.9132.6143.6-68.4164.4178.8132.40116.3
417K44Very low43.2Very low200 Ų200152.9 Ų152.987%0.8779%0.791SS**  cis-169.9156.141.2-132.9167.5-174.9177.40110.9
418Q46.1Very low43.4Very low177 Ų177150.8 Ų150.883%0.82779%0.789SS**  trans-57.7149.5179.6-57.9172.6-19.900116.3
419K43.8Very low43.4Very low190 Ų190144.7 Ų144.783%0.82678%0.78SS**  166.9122.8107.7-105.6179.1173.5173.20113.5
420K42.3Very low43.9Very low188 Ų188150.8 Ų150.882%0.81779%0.788SS**  27.1117.9128.8-103.3178.9177.8176.10118.5
421K43.9Very low44.7Very low188 Ų188154.7 Ų154.782%0.81779%0.79SS**  162.5121110.2-92.2-178.5-177.7-175.10114.2
422T40.8Very low44.9Very low117 Ų117158.3 Ų158.372%0.71880%0.795SS**  trans41.8128.8134.546.70000123.9
423K41.7Very low45.8Very low187 Ų187164 Ų16481%0.81380%0.795SS**  82.2130.8127.3-81.7-176.5174.9179.50121.3
424S47.6Very low46.4Very low106 Ų106173.1 Ų173.174%0.74182%0.819SS**  trans74148.9149.580.30000114.6
425N44.5Very low46.5Very low129 Ų129174 Ų17469%0.6982%0.818SS**  cis-172.515513.6-132.8-15.3000106.3
426I46.5Very low46.5Very low139 Ų139176.6 Ų176.671%0.71383%0.827SS**  trans62.3147138.8-64.4163000117.4
427R46.5Very low46.6Very low210 Ų210177.1 Ų177.179%0.79283%0.832SS**  cis174.1161.8-15.2-164.4-172.5-167.8173.72.3102.6
428N45Very low46.7Very low151 Ų151175.8 Ų175.881%0.80783%0.83SS**  trans85.6132.8166.6-44.4-26.2000115.1
429G45Very low46.8Very low72 Ų72175.7 Ų175.774%0.74283%0.83SS**  cis-178.3151.82.600000111.7
430R46.7Very low47Very low239 Ų239174.7 Ų174.790%0.90283%0.83SS**  trans25.5129.7143.9-89.1176.3168.3-179.3-3.3119.1
431K54.5Low47.3Very low205 Ų205173.8 Ų173.889%0.89183%0.831SS**  -173.5134.399.7-97.4172-174.5179.90112.4
432F42.8Very low47.6Very low209 Ų209172.7 Ų172.792%0.91783%0.832SS**  trans-75.9148.5170.5-97.4-97.9000112.1
433K59.5Low48.1Very low208 Ų208177.3 Ų177.390%0.90484%0.842SS**  trans-172.8128.8147.5-99.8177.8179.8-178.70103.7
434K57.6Low48.7Very low273 Ų273176.5 Ų176.5100%1.18784%0.844SS**  cis-156.4031.6-153.2179.3-169.6-177.40108.2

Retrieved 434 of 434 residues in 90.1 ms (Link to these results)