A0A077Z5N6_TRITR Loading...

CREB regulated transcription coactivator 1

AlphaFold DB , UniProt , Accession A0A077Z5N6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 436 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.6Very low26.7Very low229 Ų229153 Ų153100%1.12886%0.862SS**  0119.70-114.5174-176.100107.6
2F27.7Very low26.8Very low189 Ų189148.8 Ų148.883%0.82985%0.849SS**  trans44.398.3173.7-57.9-74.6000120.7
3T21.7Very low26.9Very low143 Ų143149.9 Ų149.988%0.87785%0.85SS**  trans-66.1131.515017.80000111.6
4V30.3Very low27.3Very low140 Ų140146.1 Ų146.185%0.84883%0.834SS**  trans-134.7107.6162.6-176.50000104
5G25.5Very low27.2Very low60 Ų60147.9 Ų147.962%0.61984%0.84SS**  102.27166.100000107.9L7G5-L7 PolarHBondContact O-N 3.4Å; G5-L7 VanDerWaalsContact O-N 3.07Å
6T25.2Very low27Very low140 Ų140145.7 Ų145.786%0.85983%0.83SS**  trans-66.295.8178.644.90000110.7K8T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 PolarHBondContact O-N 3.33Å
7L29.2Very low26.8Very low179 Ų179144.4 Ų144.494%0.93782%0.815SS**  trans-80.989171.3-76.5171.6000110.7G5G5-L7 PolarHBondContact O-N 3.4Å; G5-L7 VanDerWaalsContact O-N 3.07Å
8K25.8Very low26.8Very low209 Ų209147.4 Ų147.491%0.90982%0.821SS**  trans-47.8133.6156.8-158.1175.2-172.9177.80111.3T6T6-K8 VanDerWaalsContact C-N 3.34Å; T6-K8 PolarHBondContact O-N 3.33Å
9G26.6Very low26.8Very low70 Ų70146.3 Ų146.372%0.72281%0.812SS**  trans122.485.916700000112.6
10G27.1Very low26.7Very low81 Ų81144.1 Ų144.184%0.83581%0.807SS**  cis77.7223600000112.9
11R25.8Very low26.7Very low243 Ų243141.5 Ų141.592%0.91780%0.799SS**  trans-108.976.9166.3-72.5-174.4170.5-164.8-2.6109.5
12S28.2Very low26.4Very low102 Ų102136.3 Ų136.371%0.71378%0.776SS**  trans-59.3139154.350.90000109
13L27.8Very low26.4Very low164 Ų164135.5 Ų135.586%0.85978%0.78SS**  trans163.4151.4138.7-85.9167.2000108.7
14P32.9Very low26.6Very low97 Ų97136.8 Ų136.863%0.6378%0.776SS**  cis-116.8160.9-2127-7.9000112V16P14-V16 HydrophobicContact CG-CG2 4.14Å; P14-V16 PolarHBondContact O-N 3.48Å
15N24.9Very low26.2Very low173 Ų173132.7 Ų132.793%0.92576%0.762SS**  trans-46.2108.7155.4-111.7-18.4000109.8
16V25.1Very low26.2Very low112 Ų112136.4 Ų136.468%0.67977%0.768SS**  trans-141.2118.4164.7175.10000104.6P14P14-V16 HydrophobicContact CG-CG2 4.14Å; P14-V16 PolarHBondContact O-N 3.48Å
17H23.8Very low26.2Very low124 Ų124140.5 Ų140.557%0.57477%0.769SS**  cis-159.6119.7-2.5-117.8-120.1000102.2L19H17-L19 WeakPolarHBondContact ND1-CD1 3.5Å
18H26.9Very low26.1Very low198 Ų198140.2 Ų140.292%0.91776%0.76SS**  trans-12489.4139.3-85.2-73.5000104.7S20H18-S20 PolarHBondContact O-N 3.48Å
19L25.5Very low26Very low126 Ų126132.5 Ų132.566%0.6674%0.74SS**  trans-49.298.8145.3-72.2164.4000105.8H17 S21H17-L19 WeakPolarHBondContact ND1-CD1 3.5Å; L19-S21 PolarHBondContact O-N 3.44Å
20S24.5Very low25.9Very low102 Ų102137 Ų13771%0.71374%0.742SS**SBendtrans-38.4127.4135.7170.40000107.5H18H18-S20 PolarHBondContact O-N 3.48Å
21S27.2Very low25.8Very low91 Ų91139.4 Ų139.464%0.63674%0.736SS**SBendtrans53.591.7175.1650000116L19L19-S21 PolarHBondContact O-N 3.44Å
22N22.6Very low25.6Very low120 Ų120137.4 Ų137.464%0.64273%0.73SS**  170.393.9115.9-90.3-27.2000108.9Q24N22-Q24 HydrophobicContact CB-CB 4.43Å; N22-Q24 PolarHBondContact O-N 3.17Å; N22-Q24 VanDerWaalsContact O-N 3.13Å
23N27.6Very low25.5Very low171 Ų171135.9 Ų135.991%0.91472%0.724SS**  trans-71.564.5133-77.3-2.1000106.3
24Q25.7Very low25.3Very low170 Ų170133.9 Ų133.979%0.79471%0.714SS**  -91.3110.3111.8-60.6-163-10.100112.4N22N22-Q24 HydrophobicContact CB-CB 4.43Å; N22-Q24 PolarHBondContact O-N 3.17Å; N22-Q24 VanDerWaalsContact O-N 3.13Å
25G22.8Very low24.8Very low54 Ų54135.1 Ų135.156%0.55771%0.714SS**  trans152.5105.1174.100000107.7
26L24.2Very low24.7Very low139 Ų139131.6 Ų131.673%0.72870%0.699SS**  cis-140.8115.621.9-69116.9000107.9F28L26-F28 HydrophobicContact CB-CD2 4.01Å; L26-F28 HydrophobicContact CB-CE2 4.11Å; L26-F28 HydrophobicContact CD2-CE2 4.15Å; L26-F28 HydrophobicContact CD2-CZ 4.37Å; L26-F28 HydrophobicContact CG-CE2 4.49Å; L26-F28 PolarHBondContact O-N 3.31Å
27Y25.1Very low24.7Very low225 Ų225130.4 Ų130.488%0.88270%0.696SS**  trans-57.994.8143.2-88.6-102.1000106G29Y27-G29 PolarHBondContact O-N 3.28Å
28F28.6Very low24.7Very low174 Ų174132.1 Ų132.176%0.76371%0.709SS**  trans-72.660.3139.2-76-77.6000107.1L26 E30L26-F28 HydrophobicContact CB-CD2 4.01Å; L26-F28 HydrophobicContact CB-CE2 4.11Å; L26-F28 HydrophobicContact CD2-CE2 4.15Å; L26-F28 HydrophobicContact CD2-CZ 4.37Å; L26-F28 HydrophobicContact CG-CE2 4.49Å; L26-F28 PolarHBondContact O-N 3.31Å; F28-E30 VanDerWaalsContact C-N 3.25Å
29G23.8Very low25.4Very low46 Ų46125.1 Ų125.147%0.47469%0.691SS.*  trans-98.530.3161.700000109.1Y27 N31Y27-G29 PolarHBondContact O-N 3.28Å; G29-N31 PolarHBondContact O-N 2.93Å
30E24.3Very low25.5Very low165 Ų165125.7 Ų125.777%0.77170%0.699SS**SBendtrans-71.489.7167-68.1-164.2161.600107.7F28F28-E30 VanDerWaalsContact C-N 3.25Å
31N24.2Very low25.6Very low132 Ų132126.7 Ų126.771%0.70671%0.707SS**SBendtrans73.154.5166-65-44.1000119G29G29-N31 PolarHBondContact O-N 2.93Å
32Y22.9Very low25.4Very low200 Ų200125.8 Ų125.878%0.78471%0.712SS**  trans-124.465133.2-58.3-81.4000106.6N34 L35Y32-N34 PolarHBondContact O-N 2.94Å; Y32-L35 HydrophobicContact CD1-CD1 4Å; Y32-L35 HydrophobicContact CE1-CD1 4.34Å
33A24.4Very low25.5Very low71 Ų71128.6 Ų128.659%0.58772%0.721SS**  19.870.277.700000110.2L35A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.86Å
34N23.6Very low25.4Very low122 Ų122131 Ų13165%0.65272%0.719SS**  trans2374.5136.8-14321.1000113.1Y32 T36Y32-N34 PolarHBondContact O-N 2.94Å; N34-T36 PolarHBondContact ND2-OG1 2.89Å; N34-T36 PolarHBondContact O-N 2.88Å; N34-T36 PolarHBondContact OD1-OG1 2.78Å
35L22.7Very low25.5Very low122 Ų122130.5 Ų130.564%0.63972%0.721SS**  trans-70.556.5145.3-78.7152.7000107.3Y32 A33Y32-L35 HydrophobicContact CD1-CD1 4Å; Y32-L35 HydrophobicContact CE1-CD1 4.34Å; A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.86Å
36T24.1Very low25.8Very low99 Ų99134.4 Ų134.461%0.60773%0.73SS**  trans-110.197.6134.564.40000102.1N34N34-T36 PolarHBondContact ND2-OG1 2.89Å; N34-T36 PolarHBondContact O-N 2.88Å; N34-T36 PolarHBondContact OD1-OG1 2.78Å
37S24.2Very low25.9Very low87 Ų87130.9 Ų130.961%0.60873%0.727SS**SBend-112.1-179.67554.40000112G39S37-G39 PolarHBondContact O-N 2.85Å
38D23Very low26.1Very low161 Ų161129.6 Ų129.686%0.86173%0.726SS**SBendtrans0.2123.1137.8-59.5-44.9000115.9
39G41.8Very low26Very low51 Ų51126.7 Ų126.753%0.52672%0.723SS.*  trans131.284.216000000119S37S37-G39 PolarHBondContact O-N 2.85Å
40T27.6Very low26.1Very low137 Ų137131.7 Ų131.784%0.8474%0.737SS**  trans60.5119.2160.5510000121.7
41S27.4Very low26.1Very low124 Ų124131 Ų13187%0.86773%0.733SS**  trans60.1123.8153.460.70000122.5
42G23.5Very low26.2Very low72 Ų72130.2 Ų130.274%0.74274%0.735SS**  trans156.392.5160.800000111.3
43E24.6Very low26.5Very low179 Ų179125.8 Ų125.884%0.83673%0.734SS**  75.2122.284.3-84.8176.1174.100115.9
44Y25.4Very low26.7Very low220 Ų220134.5 Ų134.586%0.86375%0.751SS**  trans-64.6135.9-170.2-71.3-107.8000112.7
45N28.3Very low26.9Very low160 Ų160132.2 Ų132.286%0.85676%0.757SS**  trans-120.358.6168.8-88.5-78.2000110.4G47N45-G47 PolarHBondContact O-N 3.3Å; N45-G47 VanDerWaalsContact O-N 3.12Å
46D28.9Very low27.1Very low137 Ų137135.6 Ų135.673%0.73376%0.761SS**  trans-83.571.1164-83-35.9000109.3F48D46-F48 PolarHBondContact O-N 3.32Å; D46-F48 VanDerWaalsContact O-N 3.11Å
47G24.6Very low27.3Very low65 Ų65135.4 Ų135.467%0.6776%0.764SS**  trans-72.897.4171.700000110.1N45 V49N45-G47 PolarHBondContact O-N 3.3Å; N45-G47 VanDerWaalsContact O-N 3.12Å; G47-V49 PolarHBondContact O-N 2.7Å
48F30.7Very low27.7Very low198 Ų198138.5 Ų138.587%0.86878%0.782SS**  trans-49.5102.8167.6-83.5-98.4000110.7D46 I50D46-F48 PolarHBondContact O-N 3.32Å; D46-F48 VanDerWaalsContact O-N 3.11Å; F48-I50 PolarHBondContact O-N 2.98Å
49V26.6Very low28Very low113 Ų113134 Ų13469%0.68577%0.774SS**  trans-7495.8165.6-179.90000106.7G47 H51G47-V49 PolarHBondContact O-N 2.7Å; V49-H51 PolarHBondContact O-N 3.03Å
50I25.8Very low27.3Very low151 Ų151135 Ų13577%0.77477%0.773SS**  trans-61.894.6165.3-57.6174.6000106F48 P52F48-I50 PolarHBondContact O-N 2.98Å; I50-P52 WeakPolarHBondContact O-CD 3.38Å; I50-P52 VanDerWaalsContact O-N 3.12Å
51H23Very low27.6Very low150 Ų150139.1 Ų139.169%0.69477%0.773SS**  trans-60.8113.3166.1-84.6-94.2000106.6V49 S53V49-H51 PolarHBondContact O-N 3.03Å; H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.24Å
52P27Very low27.6Very low115 Ų115142.3 Ų142.375%0.74777%0.767SS**  trans-62.1104.7166.926.2-30000105.2I50 R54I50-P52 WeakPolarHBondContact O-CD 3.38Å; I50-P52 VanDerWaalsContact O-N 3.12Å; P52-R54 PolarHBondContact O-N 3.03Å
53S29.1Very low27.6Very low108 Ų108147.2 Ų147.276%0.75577%0.771SS**  trans-51.9111.7175.6-53.40000106.7H51 G55H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.24Å; S53-G55 PolarHBondContact O-N 3.5Å; S53-G55 VanDerWaalsContact O-N 3.14Å
54R29.4Very low27.7Very low253 Ų253149.3 Ų149.396%0.95577%0.772SS**THydrogen-bonded Turntrans-36.6119.6175.2-88172.7162.3142.2-7.1110P52P52-R54 PolarHBondContact O-N 3.03Å
55G27.1Very low27.7Very low75 Ų75142.7 Ų142.777%0.77376%0.758SS**THydrogen-bonded Turntrans91.125147.600000118.8S53S53-G55 PolarHBondContact O-N 3.5Å; S53-G55 VanDerWaalsContact O-N 3.14Å
56R26.6Very low27.9Very low192 Ų192140.2 Ų140.273%0.72575%0.751SS**  trans-94.8108.1159.4-69.8-169.9179.3-147.60.6109.2
57S27.9Very low27.8Very low96 Ų96143.6 Ų143.667%0.67176%0.755SS**  trans-48.3148.3-179.5-50.70000111.7G59S57-G59 PolarHBondContact O-N 3.38Å
58P32.7Very low28Very low152 Ų152148.3 Ų148.399%0.98776%0.759SS**THydrogen-bonded Turntrans-6728.1-172.5-16.530.5000116.5
59G30.7Very low27.8Very low66 Ų66149 Ų14968%0.6876%0.756SS**THydrogen-bonded Turntrans-127.2-12.4-172.600000116.2S57 R61S57-G59 PolarHBondContact O-N 3.38Å; G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 3.36Å
60S27Very low27.8Very low73 Ų73148.2 Ų148.251%0.5176%0.756SS.*  trans-84.174.5178.671.80000110.8Y62S60-Y62 PolarHBondContact O-N 3.03Å
61R33.6Very low27.8Very low222 Ų222149.7 Ų149.784%0.83876%0.757SS**  trans-61123.2162.7-72.3-172-162.8-158.74107.4G59 H63G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 3.36Å; R61-H63 PolarHBondContact O-N 2.8Å
62Y27.1Very low28Very low192 Ų192147.1 Ų147.175%0.75376%0.755SS**  trans-53.2107.4171.9-66.9-90.1000109.4S60 Y64S60-Y62 PolarHBondContact O-N 3.03Å; Y62-Y64 PolarHBondContact O-N 3.17Å; Y62-Y64 VanDerWaalsContact O-N 3.14Å
63H24.3Very low28.3Very low175 Ų175147.5 Ų147.581%0.8176%0.758SS**  trans-74.596.6162.3-81.6-95.9000107.1R61 S65R61-H63 PolarHBondContact O-N 2.8Å; H63-S65 PolarHBondContact O-N 3.22Å
64Y26.1Very low28.2Very low222 Ų222150 Ų15087%0.87176%0.758SS**  trans-63.1101.1161.5-112.3-90.1000107.3Y62 P66Y62-Y64 PolarHBondContact O-N 3.17Å; Y62-Y64 VanDerWaalsContact O-N 3.14Å; Y64-P66 WeakPolarHBondContact O-CD 3.2Å
65S24.7Very low28.1Very low81 Ų81143.6 Ų143.657%0.56675%0.747SS**  trans-82.7119.6168.8-74.20000108.2H63 Y67H63-S65 PolarHBondContact O-N 3.22Å; S65-Y67 PolarHBondContact O-N 3.26Å
66P33.8Very low28Very low109 Ų109147.2 Ų147.271%0.70875%0.754SS**SBendtrans-70-3.4-177.3-14.828.9000114.2Y64Y64-P66 WeakPolarHBondContact O-CD 3.2Å
67Y25.9Very low28.2Very low208 Ų208142.5 Ų142.582%0.81676%0.756SS**  trans-10861.4-172.2-60.7-76000111.8S65S65-Y67 PolarHBondContact O-N 3.26Å
68H28.9Very low28.2Very low163 Ų163143.6 Ų143.676%0.75576%0.764SS**  trans-13049.8160.4-100-90.3000110.6S70H68-S70 PolarHBondContact O-N 2.94Å
69R26.3Very low27.9Very low212 Ų212141.2 Ų141.280%0.875%0.751SS**  trans-80.872.7151.1-69.6-174.4-168.3-103.21.1107.8F71R69-F71 HydrophobicContact CB-CD2 4.4Å; R69-F71 HydrophobicContact CB-CE2 4.32Å; R69-F71 PolarHBondContact O-N 3.18Å
70S27.8Very low28.3Very low97 Ų97146 Ų14668%0.67876%0.756SS**  trans-71.692.8160.450.40000106.7H68 S72H68-S70 PolarHBondContact O-N 2.94Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 2.81Å
71F26.1Very low28.9Very low183 Ų183149.3 Ų149.380%0.80377%0.766SS**  trans-56101.3161.9-79.9-91000107.2R69 P73R69-F71 HydrophobicContact CB-CD2 4.4Å; R69-F71 HydrophobicContact CB-CE2 4.32Å; R69-F71 PolarHBondContact O-N 3.18Å; F71-P73 WeakPolarHBondContact O-CD 3.43Å
72S25.4Very low28.9Very low95 Ų95148 Ų14866%0.66477%0.767SS**  trans-78.8116.1163.6-169.90000106.9S70 Q74S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 2.81Å; S72-Q74 PolarHBondContact O-N 3.42Å
73P33.6Very low29.2Very low123 Ų123145.5 Ų145.580%0.79977%0.766SS**  trans-8496.7173.131.5-25000107.8F71F71-P73 WeakPolarHBondContact O-CD 3.43Å
74Q27.4Very low30.1Very low162 Ų162142.1 Ų142.176%0.75775%0.754SS**  trans-135.4100.5166.3-76.2-159.80.100112.6S72S72-Q74 PolarHBondContact O-N 3.42Å
75T26.8Very low30.6Very low117 Ų117140.8 Ų140.872%0.71875%0.753SS**  trans55.196.5133.7600000118.7A77T75-A77 PolarHBondContact O-N 2.77Å; T75-A77 VanDerWaalsContact O-N 3.14Å
76T25.9Very low31.4Very low152 Ų152142.8 Ų142.893%0.93376%0.757SS**  trans-36.7107.6140.332.50000112.3
77A29.8Very low31.5Very low92 Ų92143.9 Ų143.976%0.7675%0.752SS**  trans-142.565.216100000109.3T75T75-A77 PolarHBondContact O-N 2.77Å; T75-A77 VanDerWaalsContact O-N 3.14Å
78S28.1Very low32.1Very low119 Ų119142.4 Ų142.483%0.83275%0.745SS**  trans-168.264.4154.526.70000106.8
79S26.9Very low32.5Very low103 Ų103142.5 Ų142.572%0.7275%0.746SS**  trans-58.815215151.30000109
80E39Very low33.1Very low166 Ų166142.3 Ų142.378%0.77675%0.745SS**SBendtrans82.393.8175.5-51.3-176.9173.200114.1
81I39.3Very low33.3Very low143 Ų143141.9 Ų141.973%0.73374%0.742SS**SBend172-3.5129.6-83.1154.3000112.9
82F34.1Very low33.7Very low195 Ų195140 Ų14086%0.85574%0.74SS**  trans-121.340.4172.1-66.8-76.8000114.5
83D33.3Very low33.9Very low138 Ų138144.1 Ų144.174%0.73875%0.749SS**  trans-78.9124154-90.3-64.4000109.3
84D42.9Very low33.6Very low105 Ų105143.7 Ų143.756%0.56175%0.746SS**SBendtrans138.5-24.1143.4-102.8-38.6000115.7
85K36.3Very low33.8Very low194 Ų194143.8 Ų143.884%0.84375%0.751SS**Hα-helixtrans-89.8-32.1178.4-99.8-172.8176.4-173.50114.5
86L41.9Very low33.9Very low122 Ų122146.9 Ų146.964%0.63976%0.757SS**Hα-helixtrans-84.4-30.8-179-96.9150.9000113.1R88 Q89 R90L86-R88 PolarHBondContact O-N 3.12Å; L86-Q89 PolarHBondContact O-N 3.04Å; L86-R90 PolarHBondContact O-N 3.2Å
87E36.6Very low34.2Very low132 Ų132145.8 Ų145.862%0.61775%0.75SS**Hα-helixtrans-66.5-38.8-178.9-157.865.3-158.300112Q89 R90 S91E87-Q89 PolarHBondContact O-N 3.42Å; E87-R90 PolarHBondContact O-N 3.04Å; E87-S91 PolarHBondContact O-N 2.68Å
88R37.7Very low34.6Very low177 Ų177150.2 Ų150.267%0.66876%0.755SS**Hα-helixtrans-66.9-34.7178.2-70.9-171.1-156.3-177.66.4113.2L86 R90 S91L86-R88 PolarHBondContact O-N 3.12Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R88-S91 PolarHBondContact O-N 2.84Å; R88-S91 PolarHBondContact O-OG 2.91Å
89Q36.6Very low34.8Very low165 Ų165155.3 Ų155.377%0.77176%0.756SS**Hα-helixtrans-74.7-22.6180-73.8-165.8-28.100113.2L86 E87L86-Q89 PolarHBondContact O-N 3.04Å; E87-Q89 PolarHBondContact O-N 3.42Å
90R38.8Very low35.2Very low209 Ų209161.2 Ų161.279%0.78976%0.764SS**Hα-helixtrans-82.6-18.1173.7-79.9-175.6164.9-169.6-2.8114.1L86 E87 R88 L92L86-R90 PolarHBondContact O-N 3.2Å; E87-R90 PolarHBondContact O-N 3.04Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 3.09Å
91S33.7Very low35.1Very low87 Ų87161.4 Ų161.461%0.60877%0.77SS**THydrogen-bonded Turntrans-77.2-6.4-175.771.70000116.3E87 R88E87-S91 PolarHBondContact O-N 2.68Å; R88-S91 PolarHBondContact O-N 2.84Å; R88-S91 PolarHBondContact O-OG 2.91Å
92L34.5Very low34.8Very low145 Ų145162.9 Ų162.976%0.75977%0.774SS**THydrogen-bonded Turntrans-121.522.1-171-77.4168.3000116.3R90R90-L92 VanDerWaalsContact C-N 3.33Å; R90-L92 PolarHBondContact O-N 3.09Å
93Q28.3Very low35.1Very low181 Ų181157.9 Ų157.985%0.84676%0.76SS**  trans-121.9100.5160.1-74.2-143.1-12.700111.6
94P27.9Very low35.3Very low114 Ų114155.8 Ų155.874%0.7475%0.754SS**  trans-64.9145.4169.325.5-30.4000110.7Q96P94-Q96 PolarHBondContact O-N 3.42Å
95L31.3Very low35.6Very low164 Ų164157 Ų15786%0.85977%0.768SS**  trans-26.1109.8174.9-70.682.4000114.1
96Q29.8Very low35.8Very low181 Ų181153.1 Ų153.185%0.84676%0.756SS**  trans-104.2107.7138.3-70.3-146.5-24.800107.1P94 Q98P94-Q96 PolarHBondContact O-N 3.42Å; Q96-Q98 VanDerWaalsContact C-N 3.3Å; Q96-Q98 PolarHBondContact O-N 2.86Å
97T32.4Very low35.7Very low129 Ų129151.1 Ų151.179%0.79175%0.749SS**  trans-35.391.1164.4-25.60000109.3R99T97-R99 PolarHBondContact O-N 2.91Å
98Q37.1Very low35.8Very low186 Ų186148.6 Ų148.687%0.86975%0.747SS**  trans-65.7108.8174.6-79.3-157.1-9.800105.6Q96 Y100Q96-Q98 VanDerWaalsContact C-N 3.3Å; Q96-Q98 PolarHBondContact O-N 2.86Å; Q98-Y100 PolarHBondContact O-N 3.29Å
99R31.5Very low36Very low225 Ų225147.7 Ų147.785%0.84974%0.743SS**  trans-43.1117.8-177.9-59.7-158.9-165.2-160.59.1107.8T97 L101T97-R99 PolarHBondContact O-N 2.91Å; R99-L101 PolarHBondContact O-N 3.09Å
100Y35.4Very low36Very low227 Ų227148.5 Ų148.589%0.8974%0.739SS**  trans-43.1115.1154.3-84.8-94000105.7Q98 Q102Q98-Y100 PolarHBondContact O-N 3.29Å; Y100-Q102 PolarHBondContact O-N 3.28Å
101L38.2Very low36Very low170 Ų170147.8 Ų147.889%0.8974%0.736SS**  trans-63.482.5173-74.8161.2000105.5R99 P103R99-L101 PolarHBondContact O-N 3.09Å; L101-P103 WeakPolarHBondContact O-CD 3.5Å; L101-P103 VanDerWaalsContact O-N 3.15Å
102Q31.5Very low36.3Very low175 Ų175148.7 Ų148.782%0.81874%0.738SS**PPolyproline II helixtrans-58.2119.8171.2-161.6169.41.800104.1Y100Y100-Q102 PolarHBondContact O-N 3.28Å
103P42Very low36.7Very low89 Ų89149 Ų14958%0.57874%0.736SS**PPolyproline II helixtrans-54.4145.1-179.621.7-31.6000108.2L101L101-P103 WeakPolarHBondContact O-CD 3.5Å; L101-P103 VanDerWaalsContact O-N 3.15Å
104P37.9Very low36.7Very low94 Ų94144.7 Ų144.761%0.6173%0.726SS**PPolyproline II helixtrans-48.2138.4-176.9-25.832.2000110.4D106P104-D106 PolarHBondContact O-N 3.25Å
105P47.4Very low36.9Very low130 Ų130144.6 Ų144.684%0.84472%0.719SS**SBendtrans-59.9-9.1179.221.7-30.8000113.3T107P105-T107 PolarHBondContact O-N 3.05Å; P105-T107 VanDerWaalsContact O-N 3.09Å
106D41.5Very low37Very low113 Ų113141.4 Ų141.460%0.60471%0.708SS**  trans-72.8100.1171.1-66.1-36.8000111.1P104 S108P104-D106 PolarHBondContact O-N 3.25Å; D106-S108 PolarHBondContact O-N 3.46Å; D106-S108 PolarHBondContact O-OG 3.13Å
107T39.4Very low37.4Very low80 Ų80138.1 Ų138.149%0.49170%0.7SS.*G310 helixtrans-62.919.7166.344.60000113.6P105 W109 R110P105-T107 PolarHBondContact O-N 3.05Å; P105-T107 VanDerWaalsContact O-N 3.09Å; T107-W109 PolarHBondContact O-N 3.35Å; T107-R110 WeakPolarHBondContact O-CA 3.24Å; T107-R110 WeakPolarHBondContact O-CB 3.48Å; T107-R110 PolarHBondContact O-N 3.25Å
108S38.8Very low37.5Very low80 Ų80139.3 Ų139.356%0.55970%0.701SS**G310 helixtrans-59.8-32.5177.253.40000112D106 R110 R111D106-S108 PolarHBondContact O-N 3.46Å; D106-S108 PolarHBondContact O-OG 3.13Å; S108-R110 PolarHBondContact O-N 3.12Å; S108-R111 PolarHBondContact O-N 2.89Å; S108-R111 VanDerWaalsContact O-N 3.09Å
109W41.8Very low37.2Very low158 Ų158138.5 Ų138.560%0.59870%0.697SS**G310 helixtrans-66.3-21172.968.6-90.7000113.6T107T107-W109 PolarHBondContact O-N 3.35Å
110R36.2Very low37Very low181 Ų181132.4 Ų132.468%0.68369%0.689SS**G310 helixtrans-85.2-11.3173-75.2-173.3171.2-1241.5113.5T107 S108T107-R110 WeakPolarHBondContact O-CA 3.24Å; T107-R110 WeakPolarHBondContact O-CB 3.48Å; T107-R110 PolarHBondContact O-N 3.25Å; S108-R110 PolarHBondContact O-N 3.12Å
111R39Very low36.8Very low194 Ų194126.9 Ų126.973%0.73268%0.683SS**  trans-89.9-6-170-85.5-173.7180-112.12.4115.9S108 H113S108-R111 PolarHBondContact O-N 2.89Å; S108-R111 VanDerWaalsContact O-N 3.09Å; R111-H113 PolarHBondContact O-N 2.85Å
112T40.5Very low36.2Very low106 Ų106121.4 Ų121.465%0.6567%0.667SS**THydrogen-bonded Turntrans-75.48.5-172.547.70000116.2
113H41.9Very low36.1Very low153 Ų153121.5 Ų121.571%0.70867%0.674SS**THydrogen-bonded Turntrans-131.216.8179.4-60.8-56.5000116.5R111R111-H113 PolarHBondContact O-N 2.85Å
114S29.5Very low35.3Very low90 Ų90123 Ų12363%0.62968%0.681SS**  trans-134.473.7167.558.70000109.3P116S114-P116 WeakPolarHBondContact O-CD 3.48Å
115D30.8Very low34.6Very low111 Ų111125.4 Ų125.459%0.59469%0.689SS**  trans-68.8111.2163.1-172.1-13.6000108V117D115-V117 PolarHBondContact O-N 2.89Å; D115-V117 WeakPolarHBondContact OD1-CB 3.46Å; D115-V117 WeakPolarHBondContact OD1-CG2 3.41Å; D115-V117 PolarHBondContact OD1-N 3.26Å; D115-V117 VanDerWaalsContact OD1-N 3.13Å
116P35Very low33.6Very low97 Ų97122.9 Ų122.963%0.6368%0.679SS**G310 helixtrans-73.7-5.1-177.1-11.428.4000113.6S114 L118 H119 S120S114-P116 WeakPolarHBondContact O-CD 3.48Å; P116-L118 PolarHBondContact O-N 3.07Å; P116-H119 PolarHBondContact O-N 2.92Å; P116-S120 PolarHBondContact O-OG 3.02Å
117V36.9Very low32.8Very low113 Ų113129.1 Ų129.169%0.68570%0.695SS**G310 helixtrans-72.9-13.3-174.2-177.60000112.7D115D115-V117 PolarHBondContact O-N 2.89Å; D115-V117 WeakPolarHBondContact OD1-CB 3.46Å; D115-V117 WeakPolarHBondContact OD1-CG2 3.41Å; D115-V117 PolarHBondContact OD1-N 3.26Å; D115-V117 VanDerWaalsContact OD1-N 3.13Å
118L34.5Very low32Very low153 Ų153128.3 Ų128.380%0.80170%0.704SS**G310 helixtrans-101.2-0.7175.6-75.2169000115.5P116P116-L118 PolarHBondContact O-N 3.07Å
119H30.6Very low31.5Very low169 Ų169131.2 Ų131.278%0.78272%0.718SS**SBendtrans-112.811.2177-73.6-83.9000114.7P116 S121P116-H119 PolarHBondContact O-N 2.92Å; H119-S121 PolarHBondContact O-N 3.42Å
120S27.4Very low30.7Very low98 Ų98129.1 Ų129.169%0.68572%0.722SS**  trans-91.555.9171.316.10000111.4P116 G122P116-S120 PolarHBondContact O-OG 3.02Å; S120-G122 PolarHBondContact O-N 3Å
121S31Very low30.3Very low111 Ų111126.3 Ų126.378%0.77673%0.727SS**  trans-82.186.515948.50000108.8H119H119-S121 PolarHBondContact O-N 3.42Å
122G25.6Very low29.7Very low54 Ų54124.3 Ų124.356%0.55773%0.73SS**  trans51.492.3144.300000119.5S120S120-G122 PolarHBondContact O-N 3Å
123D29.5Very low28.8Very low177 Ų177122.2 Ų122.295%0.94773%0.729SS**  trans-103.170.1139.3-70.6-42.4000108.1
124V25.9Very low28.3Very low121 Ų121123.6 Ų123.673%0.73374%0.741SS**  trans-99.594166.3178.10000106.5
125N24.1Very low28Very low144 Ų144125.8 Ų125.877%0.7775%0.751SS**  trans157.4111.4139.9-83.4-27.7000108.9
126A24.8Very low27.7Very low77 Ų77128.9 Ų128.964%0.63676%0.762SS**  76.496.192.500000110.9
127Y24.6Very low27.2Very low244 Ų244132.3 Ų132.396%0.95777%0.771SS**  -172.6116.9128.3-95.4-71.1000108.8
128G23.6Very low26.5Very low64 Ų64134 Ų13466%0.6678%0.776SS**  trans100.2104.1140.200000119.5
129T27.7Very low26.3Very low141 Ų141135.3 Ų135.387%0.86578%0.778SS**  trans88.1101.7134.90.30000120.5
130V26Very low25.9Very low113 Ų113131.5 Ų131.569%0.68577%0.771SS**  trans-45158.8158.5-128.70000114.5I132V130-I132 HydrophobicContact CG1-CD1 4.1Å; V130-I132 HydrophobicContact CG1-CG1 3.73Å
131P26.5Very low26.1Very low122 Ų122135.1 Ų135.179%0.79278%0.781SS**  -134129.558.832.6-13.5000115
132I27.7Very low26Very low152 Ų152135.8 Ų135.878%0.77978%0.781SS**  42.5110.8105.4-58.6164.5000115.8V130V130-I132 HydrophobicContact CG1-CD1 4.1Å; V130-I132 HydrophobicContact CG1-CG1 3.73Å
133G21.9Very low26.1Very low62 Ų62138.7 Ų138.764%0.63979%0.79SS**  trans167.782.3156.500000112.7
134L31.4Very low26.1Very low182 Ų182136.1 Ų136.195%0.95378%0.783SS**  trans149.670.9155.9-78.7157.3000110
135T23.3Very low26.4Very low136 Ų136137 Ų13783%0.83479%0.789SS**  trans-87.9110.4173.841.50000110.6
136Q24.4Very low26.6Very low177 Ų177141.3 Ų141.383%0.82779%0.794SS**  trans-156.5126.6155.4-129.3178.314.600113.1
137M24.4Very low26.6Very low169 Ų169142.3 Ų142.383%0.83380%0.796SS**  trans71.799.4165.4-52-158.4-71.100116.6
138N21.6Very low26.7Very low148 Ų148136.4 Ų136.479%0.79179%0.788SS**  cis67.193.346.3-155-6.8000114.7
139Q29.9Very low27.2Very low181 Ų181138.6 Ų138.685%0.84679%0.79SS**  trans175.886.4141.8-96.8177.573.600106.9
140S23.7Very low27.2Very low89 Ų89139.4 Ų139.462%0.62279%0.789SS**  46.9100.995.376.40000114
141L30.1Very low27.2Very low173 Ų173140.7 Ų140.791%0.90679%0.792SS**  trans-172.5118.9131-91.8139.6000107.2
142T28.8Very low27Very low126 Ų126141.9 Ų141.977%0.77379%0.791SS**  trans-39.6143.7-175.331.50000116.6
143P27.8Very low26.9Very low114 Ų114140 Ų14074%0.7479%0.792SS**PPolyproline II helixtrans-68.1139.717728-32.6000111.1T145P143-T145 PolarHBondContact O-N 3.42Å; P143-T145 VanDerWaalsContact O-N 3.1Å
144P31Very low26.8Very low123 Ų123142.4 Ų142.480%0.79980%0.799SS**PPolyproline II helixtrans-63.4117.2172.925.2-30.3000108.9R146P144-R146 PolarHBondContact O-N 3.18Å
145T30.4Very low26.6Very low139 Ų139139.9 Ų139.985%0.85379%0.794SS**PPolyproline II helixtrans-47.2120.1168.735.50000110.6P143 S147P143-T145 PolarHBondContact O-N 3.42Å; P143-T145 VanDerWaalsContact O-N 3.1Å; T145-S147 PolarHBondContact O-N 3.47Å
146R29.2Very low26.6Very low236 Ų236139.8 Ų139.889%0.89180%0.797SS**PPolyproline II helixtrans-52.9121.4168.8-79.4177.4171.4-173.3-3.2110.3P144P144-R146 PolarHBondContact O-N 3.18Å
147S24.5Very low26.5Very low97 Ų97134.9 Ų134.968%0.67879%0.794SS**  trans23.2125.9146.346.20000118.9T145T145-S147 PolarHBondContact O-N 3.47Å
148P27.5Very low26.5Very low121 Ų121132.1 Ų132.179%0.78679%0.791SS**  trans-67.7145.2155.425-19.1000109.7
149P33.3Very low26.7Very low109 Ų109130.3 Ų130.371%0.70879%0.788SS**  trans-73.5162.6176.335.8-33.7000108.1
150L28.6Very low26.4Very low159 Ų159131.1 Ų131.183%0.83279%0.789SS**  trans178.1110.2140.9-94.1150.8000109.9
151N24.8Very low26.4Very low140 Ų140132.8 Ų132.875%0.74980%0.799SS**  trans23.3108.9136.2-79.2-9.5000116.7
152D23.3Very low26.1Very low146 Ų146132.9 Ų132.978%0.78180%0.795SS**SBend27.5122.7121.1-68.9-31.7000117.7
153S24.3Very low25.7Very low113 Ų113132 Ų13279%0.7979%0.789SS**  trans92.175.7146.2-44.70000117.5
154S21.7Very low25.6Very low112 Ų112136.2 Ų136.278%0.78380%0.796SS**  trans-165.692.2143.538.90000112.7C156S154-C156 VanDerWaalsContact C-N 3.3Å; S154-C156 PolarHBondContact O-N 2.9Å
155P25.2Very low25.2Very low130 Ų130134.7 Ų134.784%0.84479%0.794SS**  trans-91.366.9168.935-29.3000109.8
156C24.2Very low24.9Very low134 Ų134133.8 Ų133.891%0.90579%0.793SS**  trans-129.661.8168.1-73.70000109.3S154S154-C156 VanDerWaalsContact C-N 3.3Å; S154-C156 PolarHBondContact O-N 2.9Å
157G23.1Very low24.6Very low74 Ų74127.2 Ų127.276%0.76379%0.789SS**  trans-159.879.1177.400000110.8
158S23.9Very low24.5Very low111 Ų111133.3 Ų133.378%0.77680%0.799SS**  trans177.499.7158.3159.40000110.7
159P25.8Very low24.2Very low110 Ų110138.3 Ų138.371%0.71480%0.804SS**  trans-86.8121156.232.5-22.7000109C161P159-C161 PolarHBondContact O-N 2.77Å
160F24.3Very low23.8Very low198 Ų198140.9 Ų140.987%0.86881%0.811SS**  trans31.786.3141.1-66-91.6000117.1
161C22.4Very low23.5Very low123 Ų123139 Ų13983%0.83181%0.809SS**  trans-109.3121.2138.2-80.70000106.9P159P159-C161 PolarHBondContact O-N 2.77Å
162E23.6Very low23.4Very low176 Ų176137.7 Ų137.782%0.82281%0.809SS**  trans72.899.4171.1-63.1179.5148.800116
163T21.4Very low23.3Very low108 Ų108138.8 Ų138.866%0.66381%0.809SS**  59.990.867.8-42.60000110
164F24.8Very low23.3Very low202 Ų202141.5 Ų141.589%0.88681%0.809SS**  trans57.8118.2164-51.5-84.9000117
165A23Very low23.5Very low91 Ų91145.7 Ų145.775%0.75282%0.816SS**SBendcis-144.1114.735.200000111.5
166S24.4Very low23.4Very low119 Ų119148.8 Ų148.883%0.83282%0.817SS**  trans67.477.3143.4-470000118.6
167A23.5Very low23.2Very low98 Ų98148 Ų14881%0.8181%0.807SS**  trans69.388.814300000117.6
168Y21.9Very low23.2Very low226 Ų226154.7 Ų154.789%0.88682%0.816SS**  trans-49.8140.8153.5-72.5-94.9000112.1
169Y21.3Very low23Very low225 Ų225153.9 Ų153.988%0.88281%0.81SS**  trans-25.8128.9171.6-73.9-99.9000116.8
170L24.7Very low22.8Very low163 Ų163155.1 Ų155.185%0.85382%0.816SS**  trans-131.799154.7-90.2154.8000108.7
171C21.2Very low22.6Very low119 Ų119150 Ų15080%0.80481%0.81SS**  trans-65.7131.9149.8-83.90000107.2
172P23.6Very low22.5Very low113 Ų113154.5 Ų154.573%0.73481%0.809SS**  -142.7124.3111.429.2-11.1000112.7H174P172-H174 PolarHBondContact O-N 2.9Å
173Q21.6Very low22.4Very low170 Ų170152.5 Ų152.579%0.79481%0.813SS**  trans-46.7118.3140.2-73.2175.4-45.200109.2
174H24.5Very low22.4Very low169 Ų169153.8 Ų153.878%0.78282%0.816SS**  171.477.2119.4-80.8144.6000108.1P172 K176P172-H174 PolarHBondContact O-N 2.9Å; H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.1Å
175E24.5Very low22.2Very low201 Ų201153.6 Ų153.694%0.93982%0.818SS**  trans-61.989.8161.6-164.5177.2-158.800108.2
176K23.2Very low22.2Very low195 Ų195153.3 Ų153.385%0.84882%0.816SS**  trans-92.699.4164.6-113.1-174.7-178.3-1760108.1H174H174-K176 VanDerWaalsContact C-N 3.29Å; H174-K176 PolarHBondContact O-N 3.1Å
177V21.8Very low22.2Very low117 Ų117152.9 Ų152.971%0.70981%0.812SS**  trans1.2116.3152.5-174.40000115.1
178F23.1Very low22.2Very low214 Ų214154.3 Ų154.394%0.93981%0.811SS**  trans-132.8115.9139.2-94.5-81.7000109.9
179S18.7Very low22.2Very low95 Ų95150.2 Ų150.266%0.66481%0.809SS**  trans-84.9141.6171.4-177.60000109.4
180T22.3Very low22.3Very low136 Ų136145.3 Ų145.383%0.83481%0.808SS**  trans-179.7108.713829.80000108.1
181A19.6Very low22.2Very low89 Ų89146.7 Ų146.774%0.73681%0.81SS**  74.7100.887.200000114.6
182R20.2Very low22.2Very low219 Ų219145.2 Ų145.283%0.82682%0.815SS**  trans55.1111.7145.9-60.7-159.2178.5168.50.7120.3
183C21.5Very low22.1Very low134 Ų134143.5 Ų143.591%0.90582%0.818SS**  trans-103.9112.8138.7-73.60000108.3
184N21Very low22.1Very low135 Ų135144.6 Ų144.672%0.72282%0.823SS**  trans-73.4121.6167.3-80.1-20000108.5
185E21.7Very low22.2Very low198 Ų198144.3 Ų144.393%0.92583%0.826SS**  trans-106.2106.7158-74.6-173.7165.600107.6
186A21.7Very low22Very low85 Ų85143.9 Ų143.970%0.70282%0.824SS**  trans-124.3127.1171.600000110.2
187S24.6Very low22.1Very low109 Ų109140.3 Ų140.376%0.76282%0.824SS**  trans71.3104.9144.851.80000121.7
188T24.1Very low22.3Very low128 Ų128139.5 Ų139.579%0.78582%0.824SS**  trans-27.4123.6134.444.90000114.2
189V22.5Very low22.2Very low140 Ų140135.5 Ų135.585%0.84882%0.816SS**  52.398.388.1-172.40000113.3
190S22.6Very low22.5Very low123 Ų123141.2 Ų141.286%0.8683%0.825SS**  trans-132.5141.4158.4-140.20000109.9
191Q22Very low22.5Very low192 Ų192143.4 Ų143.490%0.89783%0.826SS**  trans-73.1151.9-171.1-66.7165.7-29.300112.6
192G22Very low22.8Very low87 Ų87143.7 Ų143.790%0.89783%0.828SS**  trans106.190.9152.900000114.9
193G21.2Very low23Very low77 Ų77142.6 Ų142.679%0.79483%0.832SS**  trans169.5114.5168.500000110.2
194E20.8Very low23.3Very low193 Ų193143.2 Ų143.290%0.90283%0.832SS**  trans-53.2135.7-179-64.217412900112
195L26.5Very low23.5Very low164 Ų164140.2 Ų140.286%0.85983%0.833SS**  trans10.1111.5154.1-62.1158000116.4
196E21.7Very low23.7Very low191 Ų191136.7 Ų136.789%0.89383%0.83SS**  178.8142.2107.3-93.8-175.814500111.1S198E196-S198 PolarHBondContact O-N 3.04Å
197S24.9Very low23.7Very low120 Ų120138.6 Ų138.684%0.83984%0.838SS**  trans-65.2123.8179.7-173.20000111.4
198S24.9Very low23.9Very low101 Ų101139.1 Ų139.171%0.70684%0.839SS**  trans-167.6118.4138.629.50000112.3E196 Y200E196-S198 PolarHBondContact O-N 3.04Å; S198-Y200 PolarHBondContact O-N 3.02Å
199V22.1Very low24.3Very low129 Ų129138.6 Ų138.678%0.78284%0.838SS**  trans-55.4121.3162.6172.10000109.8
200Y24.4Very low24.4Very low215 Ų215137.9 Ų137.984%0.84384%0.839SS**  trans-142.6148.5150.4-84.9-74.9000111.8S198S198-Y200 PolarHBondContact O-N 3.02Å
201Q21.8Very low24.7Very low183 Ų183140.5 Ų140.586%0.85584%0.843SS**  trans-71.7162.7-152.9-72.1170.8-21.900117
202A26.3Very low24.8Very low95 Ų95134.4 Ų134.479%0.78583%0.831SS**  trans-59.4138.4165.300000113.8
203E25.1Very low24.9Very low195 Ų195137.2 Ų137.291%0.91183%0.831SS**  trans-124.6109.9149-76.9-161134.100109.7
204T27.4Very low25.1Very low148 Ų148138.9 Ų138.991%0.90883%0.83SS**  trans-55.7136.415725.70000111.7
205G24.3Very low25Very low71 Ų71134.5 Ų134.573%0.73282%0.821SS**  trans154.193.1149.900000115.9
206S27.3Very low25Very low125 Ų125132.7 Ų132.787%0.87482%0.819SS**  trans177.6122.613524.80000111.6
207S20.8Very low25.2Very low124 Ų124129.8 Ų129.887%0.86781%0.814SS**  trans-83.3148.4178.5-480000112.8
208P29.5Very low24.9Very low120 Ų120133 Ų13378%0.77982%0.816SS**  trans-131.7172156.543.3-29.7000112.3
209P32.9Very low24.9Very low118 Ų118135 Ų13577%0.76682%0.819SS**  -116.9164.5-91.829.7-10.7000114.3L211P209-L211 PolarHBondContact O-N 3.24Å
210S23.1Very low25.2Very low125 Ų125134.3 Ų134.387%0.87482%0.817SS**PPolyproline II helixtrans-62.5118.3175.1-50.70000112.1
211L30.3Very low25.2Very low178 Ų178128.1 Ų128.193%0.93281%0.805SS**PPolyproline II helixtrans-86.6121.7164.3-86.9143.2000108.9P209P209-L211 PolarHBondContact O-N 3.24Å
212G23.2Very low25.3Very low63 Ų63126.9 Ų126.965%0.64980%0.804SS**PPolyproline II helixtrans-65.5149.4-167.300000115.3S214G212-S214 PolarHBondContact O-N 3.3Å
213T23.7Very low25.2Very low147 Ų147126.1 Ų126.190%0.90281%0.805SS**  trans-49.2110.6159.744.40000111
214S25.6Very low25.1Very low111 Ų111125.1 Ų125.178%0.77680%0.801SS**  trans-115.898.7155.428.70000107.2G212G212-S214 PolarHBondContact O-N 3.3Å
215S20.1Very low24.9Very low101 Ų101124.3 Ų124.371%0.70680%0.8SS**  trans-59.9124.7164.916.50000108.8V217S215-V217 PolarHBondContact O-N 2.75Å
216P25.5Very low24.8Very low126 Ų126125.8 Ų125.882%0.81880%0.799SS**  trans-70112.9158.627.8-26.2000107
217V25.9Very low24.6Very low130 Ų130125.4 Ų125.479%0.78880%0.795SS**  trans-43.7132.2167.7164.90000110.7S215 N219S215-V217 PolarHBondContact O-N 2.75Å; V217-N219 PolarHBondContact O-N 2.71Å
218E19.9Very low24.7Very low189 Ų189122.2 Ų122.288%0.88378%0.782SS**  trans-52.1124.7163.9-81.2173.9111.400110.4
219N24.2Very low24.4Very low142 Ų142124.1 Ų124.176%0.75978%0.784SS**  trans-137.8117.3150.9-151.8-14.3000108.3V217V217-N219 PolarHBondContact O-N 2.71Å
220P28.9Very low23.9Very low115 Ų115125.8 Ų125.875%0.74779%0.786SS**  trans-92.4107.4-174.733.7-27.6000109.7
221S23.1Very low23.9Very low84 Ų84124.3 Ų124.359%0.58777%0.773SS**  trans-169.9113.3160.338.10000111.8
222N24.8Very low23.4Very low157 Ų157123.8 Ų123.884%0.8477%0.77SS**  trans79.7106.3140-43.1-7.9000115.5E224N222-E224 PolarHBondContact O-N 2.85Å
223G23Very low23.5Very low79 Ų79131.1 Ų131.181%0.81478%0.78SS**  trans-63.1124.6177.200000112.8
224E23.8Very low23.5Very low175 Ų175128.9 Ų128.982%0.81877%0.77SS**  trans-136.596.6149.9-72.9-174.6145.900106.3N222 S226N222-E224 PolarHBondContact O-N 2.85Å; E224-S226 PolarHBondContact O-N 3.28Å
225C22.5Very low23.3Very low131 Ų131128.6 Ų128.689%0.88577%0.768SS**  trans-64.978.9160.3-71.80000107.6C227C225-C227 VanDerWaalsContact C-N 3.3Å; C225-C227 PolarHBondContact O-N 3.41Å
226S23.6Very low23.4Very low102 Ų102128 Ų12871%0.71377%0.769SS**  trans-75.290.3167.7-85.20000107.9E224 G228E224-S226 PolarHBondContact O-N 3.28Å; S226-G228 PolarHBondContact O-N 2.98Å
227C21.3Very low23.3Very low116 Ų116128.1 Ų128.178%0.78477%0.768SS**  trans-66.269.8153.9-670000107.8C225 I229C225-C227 VanDerWaalsContact C-N 3.3Å; C225-C227 PolarHBondContact O-N 3.41Å; C227-I229 PolarHBondContact O-N 3.02Å
228G24Very low23.1Very low58 Ų58127.2 Ų127.260%0.59877%0.767SS**  trans-73.9104.2179.100000109.2S226 L230S226-G228 PolarHBondContact O-N 2.98Å; G228-L230 PolarHBondContact O-N 3.36Å
229I22.5Very low23.7Very low160 Ų160123 Ų12382%0.82176%0.756SS**  trans-46.5103163.9-61.7165.1000107.6C227 P231C227-I229 PolarHBondContact O-N 3.02Å; I229-P231 WeakPolarHBondContact O-CD 3.2Å
230L22.3Very low23.6Very low153 Ų153123.1 Ų123.180%0.80176%0.756SS**  trans-65.3116.8174.3-84.7162.9000108G228 L232G228-L230 PolarHBondContact O-N 3.36Å; L230-L232 PolarHBondContact O-N 2.9Å
231P22.7Very low23.2Very low94 Ų94125.7 Ų125.761%0.6176%0.759SS**  trans-64.3122.9176.8-1529.2000108.8I229 Y233I229-P231 WeakPolarHBondContact O-CD 3.2Å; P231-Y233 VanDerWaalsContact C-N 3.27Å; P231-Y233 HydrophobicContact CB-CD2 3.96Å; P231-Y233 HydrophobicContact CB-CE2 4.14Å; P231-Y233 PolarHBondContact O-N 3.35Å
232L21.4Very low23.3Very low167 Ų167130.2 Ų130.287%0.87477%0.77SS**  trans-65.989.5164.1-73.7159.3000107.8L230L230-L232 PolarHBondContact O-N 2.9Å
233Y24.8Very low23.3Very low217 Ų217129 Ų12985%0.85177%0.769SS**  trans-90.8111.2158.4-87.1-78.6000109.4P231P231-Y233 VanDerWaalsContact C-N 3.27Å; P231-Y233 HydrophobicContact CB-CD2 3.96Å; P231-Y233 HydrophobicContact CB-CE2 4.14Å; P231-Y233 PolarHBondContact O-N 3.35Å
234S23.2Very low23.3Very low99 Ų99132.5 Ų132.569%0.69277%0.769SS**  trans-35.8135.2163.2-166.30000113
235S21Very low23.2Very low105 Ų105131.3 Ų131.373%0.73477%0.768SS**  trans48.4130.4138-39.30000119.7
236A23.3Very low23.3Very low89 Ų89128.2 Ų128.274%0.73676%0.758SS**  trans103.3113.7149.700000116.9
237V23Very low23.3Very low129 Ų129129.3 Ų129.378%0.78277%0.766SS**  trans71.297.9133.8-176.10000116.1
238S21.3Very low23.4Very low110 Ų110128.7 Ų128.777%0.76977%0.769SS**  52.1150.8110.6-54.70000120.8
239P33.2Very low23.3Very low102 Ų102129.3 Ų129.366%0.66278%0.775SS**  trans-111.8176.6-137.530.1-13.4000113.7
240N20.9Very low23.4Very low143 Ų143127.6 Ų127.677%0.76578%0.777SS**  trans99.8143.4153.9-65.3-57.1000118.4
241Q22.3Very low23.5Very low170 Ų170124.9 Ų124.979%0.79478%0.777SS**  trans83.199.3160.2-73.2168.9-17.700115.5
242E23.6Very low23.6Very low179 Ų179124.5 Ų124.584%0.83678%0.782SS**  46.194.889.3-84.7-173.8132.200111.1
243V25.1Very low23.8Very low132 Ų132125.2 Ų125.280%0.878%0.78SS**  trans-152.5112.3137.6-165.40000109.5
244N23.7Very low23.8Very low152 Ų152123 Ų12381%0.81378%0.778SS**  trans-64.7117.5150.7179.734.6000108.4
245D22.2Very low23.9Very low150 Ų150129.1 Ų129.180%0.80279%0.787SS**  trans-167.9140.3148.5-100.8-29.7000111.6
246G23.2Very low24.1Very low66 Ų66129.1 Ų129.168%0.6879%0.787SS**  trans-82.5-176.7-164.400000116.6
247S23.5Very low24.1Very low125 Ų125133.6 Ų133.687%0.87479%0.793SS**  trans88.5119.6156.8-52.30000118.8
248A24.6Very low24.2Very low103 Ų103131.6 Ų131.685%0.85179%0.79SS**  trans80.587.3144.300000119.6
249G21.9Very low24.4Very low71 Ų71130.4 Ų130.473%0.73278%0.781SS**  84.3109.1113.500000118.1
250S23.9Very low24Very low123 Ų123136.4 Ų136.486%0.8679%0.791SS**  trans-177.3118.3137.8-76.80000111.3
251A26Very low24.1Very low96 Ų96137.1 Ų137.179%0.79379%0.79SS**  trans51.180.9153.800000119.1Q253A251-Q253 VanDerWaalsContact C-N 3.32Å; A251-Q253 PolarHBondContact O-N 3.38Å
252A24.2Very low24.2Very low86 Ų86134.3 Ų134.371%0.71179%0.788SS**  trans-66.191.2148.200000109.6
253Q24.9Very low24.3Very low182 Ų182131 Ų13185%0.8578%0.781SS**  trans-106.387.3150.4-76.4-158.1-16.200107.4A251 Y255A251-Q253 VanDerWaalsContact C-N 3.32Å; A251-Q253 PolarHBondContact O-N 3.38Å; Q253-Y255 PolarHBondContact O-N 3.39Å
254H25.2Very low24.4Very low171 Ų171129.6 Ų129.679%0.79278%0.784SS**  trans-49.5106.3163.9-76.5-94.2000108.4S256H254-S256 PolarHBondContact O-N 3.34Å
255Y26.2Very low24.5Very low228 Ų228127.1 Ų127.189%0.89477%0.774SS**  trans-55.7113.3158.5-106.3-96000106.9Q253 Q257Q253-Y255 PolarHBondContact O-N 3.39Å; Y255-Q257 PolarHBondContact O-N 3.41Å
256S24.2Very low24.9Very low105 Ų105124.7 Ų124.773%0.73477%0.767SS**  trans-54.6118.6-178.945.60000110.6H254 A258H254-S256 PolarHBondContact O-N 3.34Å; S256-A258 VanDerWaalsContact C-N 3.35Å; S256-A258 PolarHBondContact O-N 3.14Å
257Q23.6Very low25.3Very low183 Ų183131.2 Ų131.286%0.85578%0.777SS**  trans-54.4100.6156.8-73.6175.4-22.500107.9Y255 S259Y255-Q257 PolarHBondContact O-N 3.41Å; Q257-S259 PolarHBondContact O-N 3.28Å
258A24Very low25.6Very low87 Ų87129.7 Ų129.772%0.71976%0.762SS**  trans-72.981.6154.500000106.1S256 R260S256-A258 VanDerWaalsContact C-N 3.35Å; S256-A258 PolarHBondContact O-N 3.14Å; A258-R260 PolarHBondContact O-N 3Å
259S25.8Very low25.9Very low84 Ų84132.5 Ų132.559%0.58776%0.758SS**  trans-57.382.5157.954.80000107.4Q257 Q261Q257-S259 PolarHBondContact O-N 3.28Å; S259-Q261 PolarHBondContact O-N 2.94Å
260R25Very low26.1Very low229 Ų229139.5 Ų139.586%0.86476%0.764SS**  trans-72.583.7157.1-71.5-150.8177.6-1191.4105.4A258 C262A258-R260 PolarHBondContact O-N 3Å; R260-C262 VanDerWaalsContact C-N 3.33Å; R260-C262 PolarHBondContact O-N 3.21Å
261Q23.1Very low26.4Very low158 Ų158143.9 Ų143.974%0.73876%0.761SS**  trans-36.2101.3157.8-123.790.66.300107S259 P263S259-Q261 PolarHBondContact O-N 2.94Å; Q261-P263 WeakPolarHBondContact O-CD 3.34Å
262C23.7Very low26.5Very low111 Ų111143.8 Ų143.875%0.7575%0.748SS**  trans-58.7126.2153.7-690000104.5R260 A264R260-C262 VanDerWaalsContact C-N 3.33Å; R260-C262 PolarHBondContact O-N 3.21Å; C262-A264 PolarHBondContact O-N 3.01Å
263P25.7Very low26.8Very low108 Ų108145.1 Ų145.170%0.70175%0.751SS**  trans-54.3114.2175.9-16.825.8000107.4Q261 T265Q261-P263 WeakPolarHBondContact O-CD 3.34Å; P263-T265 PolarHBondContact O-N 3.07Å
264A27.8Very low27.1Very low104 Ų104143 Ų14386%0.8675%0.751SS**  trans-73.643.2173.200000110.4C262C262-A264 PolarHBondContact O-N 3.01Å
265T26.7Very low27.3Very low100 Ų100141.3 Ų141.361%0.61374%0.743SS**  trans-103.4111.9166.148.30000105.9P263 F267P263-T265 PolarHBondContact O-N 3.07Å; T265-F267 PolarHBondContact O-N 2.93Å
266P30Very low27.4Very low99 Ų99135.9 Ų135.964%0.64374%0.739SS**  trans-52.6136.4173.822.9-31.7000108T268P266-T268 PolarHBondContact O-N 2.72Å; P266-T268 PolarHBondContact O-OG1 3.04Å
267F31.2Very low27.6Very low202 Ų202135.7 Ų135.789%0.88674%0.743SS**SBendtrans-6570.3167.7-88.2-95.4000109T265 Q269T265-F267 PolarHBondContact O-N 2.93Å; F267-Q269 VanDerWaalsContact C-N 3.32Å
268T30.2Very low28Very low93 Ų93132.2 Ų132.257%0.57174%0.736SS**  trans-85.9-8.116236.80000111.3P266 Y270 R271P266-T268 PolarHBondContact O-N 2.72Å; P266-T268 PolarHBondContact O-OG1 3.04Å; T268-Y270 VanDerWaalsContact C-N 3.34Å; T268-Y270 PolarHBondContact O-N 2.96Å; T268-R271 PolarHBondContact O-N 2.98Å
269Q30.2Very low28.1Very low162 Ų162134.5 Ų134.576%0.75775%0.745SS**THydrogen-bonded Turntrans-77-6.1-172.9-83.4-177.3-20.700116.6F267 R271F267-Q269 VanDerWaalsContact C-N 3.32Å; Q269-R271 VanDerWaalsContact C-N 3.35Å
270Y27.7Very low28Very low218 Ų218135.5 Ų135.586%0.85575%0.752SS**THydrogen-bonded Turntrans-94.714.3170.8-116.5-84.5000114.2T268T268-Y270 VanDerWaalsContact C-N 3.34Å; T268-Y270 PolarHBondContact O-N 2.96Å
271R28.3Very low28.5Very low215 Ų215129.9 Ų129.981%0.81175%0.746SS**SBendtrans-104.1-9.5170-142-176172.61541114.3T268 Q269 S273T268-R271 PolarHBondContact O-N 2.98Å; Q269-R271 VanDerWaalsContact C-N 3.35Å; R271-S273 PolarHBondContact O-N 3.32Å
272D29.6Very low28.6Very low95 Ų95127.3 Ų127.351%0.50875%0.745SS.*G310 helixtrans-89.82.3-173.4-69.2-21.7000115.4V274 H275D272-V274 VanDerWaalsContact C-N 3.29Å; D272-V274 PolarHBondContact O-N 3.42Å; D272-H275 PolarHBondContact O-ND1 3.48Å; D272-H275 IonicContact OD1-CE1 3.17Å; D272-H275 PolarHBondContact OD1-CE1 3.37Å; D272-H275 IonicContact OD1-ND1 3.63Å
273S29Very low28.7Very low113 Ų113131 Ų13179%0.7975%0.752SS**G310 helixtrans-89.112.9171.5-63.30000114.5R271R271-S273 PolarHBondContact O-N 3.32Å
274V32.1Very low28.6Very low139 Ų139131.1 Ų131.184%0.84276%0.755SS**G310 helixtrans-127.847.5163.9-132.10000110.5D272D272-V274 VanDerWaalsContact C-N 3.29Å; D272-V274 PolarHBondContact O-N 3.42Å
275H29.6Very low28.4Very low134 Ų134132 Ų13262%0.6275%0.75SS**  trans-77.6125.9158.3-87.180.9000109.8D272D272-H275 PolarHBondContact O-ND1 3.48Å; D272-H275 IonicContact OD1-CE1 3.17Å; D272-H275 PolarHBondContact OD1-CE1 3.37Å; D272-H275 IonicContact OD1-ND1 3.63Å
276S28.2Very low28.2Very low115 Ų115131.4 Ų131.480%0.80475%0.749SS**  trans70.2102.9145.444.40000120.1
277A27.7Very low28Very low100 Ų100132.1 Ų132.183%0.82675%0.752SS**  -152.4147.1127.800000109.5
278P31.6Very low27.7Very low110 Ų110129.9 Ų129.971%0.71475%0.749SS**  -109.9150.5-124.637.4-31.7000114.2
279C26.9Very low27.4Very low135 Ų135134.7 Ų134.791%0.91277%0.765SS**  trans-121.9111.2149.5-74.10000108.1
280S24.6Very low27.3Very low105 Ų105130.6 Ų130.673%0.73477%0.766SS**  trans-74.7-179.2171.6-44.10000110.6
281P34.9Very low27.2Very low111 Ų111129 Ų12972%0.72177%0.767SS**  -94.3158.3-12137.1-22.2000115.2
282S25.1Very low27.1Very low105 Ų105123.8 Ų123.873%0.73476%0.763SS**  trans32.892.7137.6-500000118.3S284S282-S284 PolarHBondContact O-N 3.43Å
283E25.1Very low26.9Very low189 Ų189124.5 Ų124.588%0.88378%0.776SS**  trans-88.786.8146.2-75.2-167.1141.500109.2V285E283-V285 PolarHBondContact O-N 2.85Å
284S23.4Very low26.8Very low109 Ų109124.5 Ų124.576%0.76278%0.775SS**  trans-79.486.3158.4-44.60000107.8S282S282-S284 PolarHBondContact O-N 3.43Å
285V25.1Very low26.4Very low124 Ų124122.6 Ų122.675%0.75277%0.768SS**  trans-143128.1167.4-179.50000106.4E283E283-V285 PolarHBondContact O-N 2.85Å
286S22Very low26.5Very low87 Ų87122.5 Ų122.561%0.60878%0.78SS**  cis-162.4143.1-2164.20000104.9
287T26.2Very low26.6Very low113 Ų113122.8 Ų122.869%0.69378%0.776SS**  trans47.2106.114062.20000118.5
288N24.8Very low27Very low155 Ų155123.5 Ų123.583%0.82977%0.773SS**  179.4151.396.2-101.6-34.6000111.5
289E24.5Very low27.1Very low194 Ų194125 Ų12591%0.90778%0.779SS**  trans-60.8135.4-167.7-51.5-170.5126.500113.4
290G27.7Very low27.4Very low76 Ų76124.1 Ų124.178%0.78477%0.765SS**  trans-160.397.2172.500000108.5S292G290-S292 PolarHBondContact O-N 3.2Å
291Q25.5Very low27.6Very low185 Ų185127.4 Ų127.486%0.86477%0.771SS**  trans-46.5130.8-174.5-69.7155.7-3100114
292S26Very low27.5Very low106 Ų106126.5 Ų126.574%0.74177%0.768SS**  trans47.2117.1130.3-52.10000119.8G290G290-S292 PolarHBondContact O-N 3.2Å
293S25.2Very low27.9Very low110 Ų110127.2 Ų127.277%0.76977%0.77SS**  99.6120.6126.770.30000120.2
294S25.8Very low28.5Very low112 Ų112123.6 Ų123.678%0.78377%0.765SS**  trans73.192.214859.50000119.6
295S25.1Very low28.9Very low99 Ų99123 Ų12369%0.69276%0.761SS**  146.9100.9104.7-164.90000112.5
296P31.9Very low29.2Very low132 Ų132120.8 Ų120.886%0.85775%0.751SS**  trans-104.6103.115717.60.9000109.4
297V30.1Very low29.7Very low121 Ų121125.6 Ų125.673%0.73376%0.757SS**  trans-76.1145.9167.7175.90000108.8
298P36.3Very low30Very low116 Ų116129.7 Ų129.775%0.75376%0.762SS**  trans-92.9137.1-154.434.6-31.1000113.6N300P298-N300 PolarHBondContact O-N 3.1Å
299V34.1Very low30.4Very low140 Ų140126.7 Ų126.785%0.84875%0.749SS**  trans-92.291.5169.1-88.10000109.8
300N31.8Very low31Very low117 Ų117122.6 Ų122.663%0.62673%0.732SS**  trans-9885.4164.8-175.44.8000108.7P298 S302P298-N300 PolarHBondContact O-N 3.1Å; N300-S302 PolarHBondContact OD1-OG 3.3Å
301M29Very low31.7Very low174 Ų174124 Ų12486%0.85773%0.728SS**  trans-95.295165.8-74.9-173.9175.500108
302S33.1Very low32.4Very low92 Ų92118.8 Ų118.864%0.64371%0.712SS**  trans-74.2122.7166.7-67.70000108.8N300 S304N300-S302 PolarHBondContact OD1-OG 3.3Å; S302-S304 PolarHBondContact O-N 3.31Å
303P34.4Very low33.1Very low120 Ų120119.4 Ų119.478%0.77970%0.703SS**  trans-72125.6-177.626.3-31.4000111.1S305P303-S305 PolarHBondContact O-N 3.14Å
304S36.8Very low34.1Very low113 Ų113118.6 Ų118.679%0.7969%0.69SS**  trans-59.8102.4172.6-50.10000110.3S302 S306S302-S304 PolarHBondContact O-N 3.31Å; S304-S306 PolarHBondContact O-N 2.97Å
305S30.9Very low34.8Very low96 Ų96121 Ų12167%0.67169%0.688SS**  trans-79.764.8-179.637.20000111.9P303 Y307P303-S305 PolarHBondContact O-N 3.14Å; S305-Y307 PolarHBondContact O-N 2.98Å
306S32.5Very low35.5Very low78 Ų78123.8 Ų123.855%0.54570%0.696SS.*  trans-81.694.2163.522.10000109.1S304 Y308S304-S306 PolarHBondContact O-N 2.97Å; S306-Y308 PolarHBondContact O-N 2.87Å
307Y31.2Very low35.7Very low188 Ų188124.6 Ų124.674%0.73769%0.686SS**  trans-74.8107.4171.8-74.1-90000109.3S305S305-Y307 PolarHBondContact O-N 2.98Å
308Y34.3Very low35.7Very low199 Ų199125.6 Ų125.678%0.7869%0.687SS**PPolyproline II helixtrans-83119.6167-67.7-86.8000108.6S306 L310S306-Y308 PolarHBondContact O-N 2.87Å; Y308-L310 PolarHBondContact O-N 2.95Å
309V31.9Very low35.7Very low93 Ų93126.4 Ų126.456%0.56468%0.683SS**PPolyproline II helixtrans-73.7119.2170.6174.70000107.3Q313 L314V309-Q313 HydrophobicContact CG1-CB 3.94Å; V309-Q313 VanDerWaalsContact CG1-OE1 3.27Å; V309-L314 HydrophobicContact CG1-CD2 4.33Å; V309-L314 HydrophobicContact CG1-CG 4.33Å
310L37.2Very low35.3Very low107 Ų107126.8 Ų126.856%0.5668%0.676SS**PPolyproline II helixtrans-72.2142.7179.6-70.1168000109.6Y308 S312 Q313Y308-L310 PolarHBondContact O-N 2.95Å; L310-S312 PolarHBondContact O-N 3.43Å; L310-Q313 WeakPolarHBondContact O-CB 3.44Å; L310-Q313 PolarHBondContact O-N 3.48Å
311P42.9Very low35.1Very low106 Ų106126.5 Ų126.569%0.68868%0.68SS**G310 helixtrans-52.3-28.3177.4-28.134.3000114.5Q313 L314P311-Q313 PolarHBondContact O-N 2.77Å; P311-L314 WeakPolarHBondContact O-CB 3.3Å; P311-L314 PolarHBondContact O-N 2.89Å
312S39.2Very low35.1Very low76 Ų76123.7 Ų123.753%0.53167%0.668SS.*G310 helixtrans-63.1-26174.254.90000114L310 L314 Q315L310-S312 PolarHBondContact O-N 3.43Å; S312-L314 VanDerWaalsContact C-N 3.26Å; S312-Q315 WeakPolarHBondContact O-CB 3.36Å
313Q40.7Very low34.8Very low118 Ų118124.9 Ų124.955%0.55167%0.674SS**G310 helixtrans-75.7-18174.6-62.4178.9-33.400112.2V309 L310 P311V309-Q313 HydrophobicContact CG1-CB 3.94Å; V309-Q313 VanDerWaalsContact CG1-OE1 3.27Å; L310-Q313 WeakPolarHBondContact O-CB 3.44Å; L310-Q313 PolarHBondContact O-N 3.48Å; P311-Q313 PolarHBondContact O-N 2.77Å
314L46Very low34.6Very low94 Ų94127 Ų12749%0.49268%0.679SS.*G310 helixtrans-91.1-5.1177.8-61.6176.2000112.9V309 P311 S312 N316 F317V309-L314 HydrophobicContact CG1-CD2 4.33Å; V309-L314 HydrophobicContact CG1-CG 4.33Å; P311-L314 WeakPolarHBondContact O-CB 3.3Å; P311-L314 PolarHBondContact O-N 2.89Å; S312-L314 VanDerWaalsContact C-N 3.26Å; L314-N316 PolarHBondContact O-N 3.03Å; L314-F317 HydrophobicContact CD2-CD2 4.26Å; L314-F317 PolarHBondContact O-N 3.01Å
315Q40.5Very low34.1Very low161 Ų161131.5 Ų131.575%0.75269%0.687SS**THydrogen-bonded Turntrans-66-14.5-168.5-157.8148.216.400114.6S312S312-Q315 WeakPolarHBondContact O-CB 3.36Å
316N41.2Very low33.9Very low159 Ų159129.9 Ų129.985%0.8569%0.685SS**THydrogen-bonded Turntrans-100-1.9173.3-65.9-34.4000113.9L314 L318L314-N316 PolarHBondContact O-N 3.03Å; N316-L318 PolarHBondContact O-N 3.05Å
317F36.6Very low33.5Very low148 Ų148132 Ų13265%0.64970%0.7SS**  trans-92.8101.7176.7-66.9-88.3000108.9L314 I319L314-F317 HydrophobicContact CD2-CD2 4.26Å; L314-F317 PolarHBondContact O-N 3.01Å; F317-I319 PolarHBondContact O-N 3.25Å
318L28.1Very low33.2Very low143 Ų143134.5 Ų134.575%0.74971%0.708SS**  trans-73.2104.4168.2-151.588.5000107.6N316 E320N316-L318 PolarHBondContact O-N 3.05Å; L318-E320 HydrophobicContact CD2-CG 3.66Å; L318-E320 WeakPolarHBondContact CD2-OE1 3.48Å; L318-E320 HydrophobicContact CG-CG 4.27Å; L318-E320 PolarHBondContact O-N 2.68Å
319I36.9Very low33.3Very low132 Ų132131.7 Ų131.768%0.67771%0.714SS**  trans-87.185.5170.5-53.7173.1000106.2F317 P321F317-I319 PolarHBondContact O-N 3.25Å; I319-P321 WeakPolarHBondContact O-CD 3.34Å
320E26.8Very low33.1Very low148 Ų148130.2 Ų130.269%0.69272%0.718SS**  trans-78.1121.6171.7-90-178.5174.500109.7L318 I322L318-E320 HydrophobicContact CD2-CG 3.66Å; L318-E320 WeakPolarHBondContact CD2-OE1 3.48Å; L318-E320 HydrophobicContact CG-CG 4.27Å; L318-E320 PolarHBondContact O-N 2.68Å; E320-I322 PolarHBondContact O-N 2.89Å
321P26.8Very low32.5Very low111 Ų111132 Ų13272%0.72173%0.733SS**  trans-70.3114.2172.627.5-30.7000108.8I319 C323I319-P321 WeakPolarHBondContact O-CD 3.34Å; P321-C323 VanDerWaalsContact C-N 3.34Å; P321-C323 PolarHBondContact O-N 2.7Å
322I29.9Very low31.7Very low116 Ų116133.6 Ų133.660%0.59574%0.736SS**  trans-73.693173.1-58.1172.1000107.3E320 L324 L341E320-I322 PolarHBondContact O-N 2.89Å; I322-L324 PolarHBondContact O-N 3.23Å; I322-L324 VanDerWaalsContact O-N 3.09Å; I322-L341 HydrophobicContact CD1-CD1 3.44Å; I322-L341 VanDerWaalsContact CD1-CD1 3.44Å
323C25.5Very low30.9Very low116 Ų116136.2 Ų136.278%0.78475%0.749SS**  trans-67.5104.1161-73.30000107.3P321 Q325P321-C323 VanDerWaalsContact C-N 3.34Å; P321-C323 PolarHBondContact O-N 2.7Å; C323-Q325 PolarHBondContact O-N 3.23Å
324L31.7Very low30.3Very low166 Ų166135.1 Ų135.187%0.86975%0.754SS**  trans-48.5108.1173.9-81.4157.4000109.7I322 G326I322-L324 PolarHBondContact O-N 3.23Å; I322-L324 VanDerWaalsContact O-N 3.09Å; L324-G326 PolarHBondContact O-N 2.95Å
325Q25.6Very low29.4Very low207 Ų207137.8 Ų137.897%0.96777%0.769SS**  trans-78.590-174.8-152.8177.532.400108.8C323C323-Q325 PolarHBondContact O-N 3.23Å
326G25.4Very low28.5Very low62 Ų62134.5 Ų134.564%0.63976%0.762SS**SBendtrans147.586.4164.600000114.3L324L324-G326 PolarHBondContact O-N 2.95Å
327S25.6Very low27.8Very low122 Ų122131.8 Ų131.885%0.85376%0.756SS**SBendtrans154.494135.7-67.50000110.6
328R25.4Very low27.2Very low241 Ų241134.6 Ų134.691%0.90976%0.764SS**  trans51134.9162.2-78.4-177.8163.9-162-4.5119.8G330R328-G330 PolarHBondContact O-N 3.35Å
329P35.5Very low27Very low139 Ų139134.5 Ų134.590%0.90376%0.764SS**SBendtrans-80.2125.1-177.833.4-30.6000110.4
330G26.9Very low26.5Very low63 Ų63136.5 Ų136.565%0.64978%0.775SS**  trans149.3128.1172.200000109.5R328R328-G330 PolarHBondContact O-N 3.35Å
331V25.4Very low26.5Very low144 Ų144136.1 Ų136.187%0.87378%0.777SS**SBendtrans96.4120.1-176.4-167.60000113.7T333V331-T333 PolarHBondContact O-N 2.88Å
332D25.8Very low26.3Very low140 Ų140134 Ų13475%0.74978%0.776SS**  trans-52.3119.9-166.4-64.9-70.2000115.1S334D332-S334 VanDerWaalsContact C-N 3.34Å; D332-S334 PolarHBondContact O-N 2.93Å
333T23.4Very low26.1Very low130 Ų130137.3 Ų137.380%0.79879%0.789SS**  trans-70.386.3164.3470000109.7V331V331-T333 PolarHBondContact O-N 2.88Å
334S27.8Very low26Very low95 Ų95140.3 Ų140.366%0.66480%0.796SS**  trans-109.6-10.4171-55.40000114.3D332D332-S334 VanDerWaalsContact C-N 3.34Å; D332-S334 PolarHBondContact O-N 2.93Å
335D26Very low25.6Very low151 Ų151137.1 Ų137.181%0.80779%0.793SS**  trans-120.156.8-178-64.7-41.8000111.7S337D335-S337 VanDerWaalsContact C-N 3.27Å; D335-S337 PolarHBondContact O-N 3.2Å
336C22.3Very low25.4Very low91 Ų91131.9 Ų131.962%0.61578%0.78SS**  trans-77.584.6163.9-72.10000109Y338C336-Y338 PolarHBondContact O-N 3.3Å
337S26.3Very low25.3Very low102 Ų102135 Ų13571%0.71379%0.792SS**  trans-55.8120.9160.2-43.80000108.8D335 D339D335-S337 VanDerWaalsContact C-N 3.27Å; D335-S337 PolarHBondContact O-N 3.2Å; S337-D339 VanDerWaalsContact C-N 3.32Å; S337-D339 PolarHBondContact O-N 2.93Å
338Y23.8Very low25.1Very low207 Ų207135 Ų13581%0.81279%0.791SS**  trans-73.887.5171.9-66-90.8000109.1C336C336-Y338 PolarHBondContact O-N 3.3Å
339D23.8Very low24.9Very low142 Ų142127 Ų12776%0.75978%0.783SS**  trans-81.6117163.8-102.5-35.4000109.2S337 L341S337-D339 VanDerWaalsContact C-N 3.32Å; S337-D339 PolarHBondContact O-N 2.93Å; D339-L341 VanDerWaalsContact C-N 3.31Å; D339-L341 PolarHBondContact O-N 3.28Å
340L25.9Very low24.2Very low174 Ų174132.4 Ų132.491%0.91179%0.786SS**  trans-66.193.6166.6-89.2142.6000107.6G342L340-G342 PolarHBondContact O-N 2.87Å
341L27.3Very low24Very low139 Ų139135.2 Ų135.273%0.72880%0.795SS**  trans-60.985.5171.2-74.4165.9000110I322 D339 E343I322-L341 HydrophobicContact CD1-CD1 3.44Å; I322-L341 VanDerWaalsContact CD1-CD1 3.44Å; D339-L341 VanDerWaalsContact C-N 3.31Å; D339-L341 PolarHBondContact O-N 3.28Å; L341-E343 PolarHBondContact O-N 2.83Å
342G24.1Very low23.9Very low68 Ų68132.7 Ų132.770%0.70179%0.79SS**  trans-75.2108.3157.700000108.6L340L340-G342 PolarHBondContact O-N 2.87Å
343E23.8Very low23.6Very low185 Ų185135.2 Ų135.286%0.86480%0.797SS**SBendtrans58.3118.6163.4-70.9179.8137.700118L341 A345L341-E343 PolarHBondContact O-N 2.83Å; E343-A345 PolarHBondContact O-N 2.99Å
344L23.6Very low23.9Very low179 Ų179134.1 Ų134.194%0.93779%0.792SS**  trans-47.498.1169.2-77.780.4000112.1S346L344-S346 PolarHBondContact O-N 3.14Å
345A23.7Very low23.6Very low98 Ų98133.8 Ų133.881%0.8180%0.795SS**  trans-83.199.4156.400000107.7E343E343-A345 PolarHBondContact O-N 2.99Å
346S20.8Very low23.3Very low98 Ų98134.5 Ų134.569%0.68580%0.799SS**  trans-40.5135.4176.634.40000114.7L344 C348L344-S346 PolarHBondContact O-N 3.14Å; S346-C348 PolarHBondContact O-N 3.07Å
347S24.3Very low23.3Very low128 Ų128138.4 Ų138.490%0.89581%0.807SS**  trans-63.393175.338.30000112.5
348C21.5Very low23.2Very low122 Ų122141.4 Ų141.482%0.82482%0.816SS**  trans-97115.6172.5-62.80000110.2S346S346-C348 PolarHBondContact O-N 3.07Å
349G21.6Very low23.1Very low73 Ų73140.4 Ų140.475%0.75382%0.818SS**  trans115.846.6151.100000118.3S351G349-S351 PolarHBondContact O-N 3.04Å
350R20.2Very low23.2Very low252 Ų252140.1 Ų140.195%0.95182%0.822SS**  trans-61.6113.7145.9-80179.3170.3-178-2.6108.4
351S23.3Very low23.1Very low122 Ų122136.9 Ų136.985%0.85381%0.813SS**  trans-100.496.8155.260.40000108.5G349G349-S351 PolarHBondContact O-N 3.04Å
352A21.9Very low23.3Very low91 Ų91135.9 Ų135.975%0.75282%0.818SS**  trans-75.9133.2163.400000109.1
353Q20.9Very low23.2Very low193 Ų193140.1 Ų140.190%0.90283%0.825SS**  trans-169.9154.1136.5-102.5-163.5-63.800110.8
354P28.7Very low23.3Very low107 Ų107141.1 Ų141.170%0.69582%0.822SS**  trans-113.7162.7-138.239.7-29.3000114.3
355A21.7Very low23.5Very low88 Ų88136.8 Ų136.873%0.72781%0.812SS**  trans26.3113.2144.900000118.3
356N20.7Very low23.5Very low166 Ų166139.6 Ų139.689%0.88881%0.813SS**  trans-136.2117.7142.1-123.6-24.6000109.6
357H21.7Very low23.8Very low172 Ų172141.9 Ų141.980%0.79682%0.815SS**  trans-59.5137167.6-70.5-22.4000110.1
358N24Very low23.9Very low165 Ų165142 Ų14288%0.88281%0.81SS**  trans-153.5128.1144.5-98.5-17000109.1
359E22.3Very low24Very low187 Ų187143 Ų14387%0.87481%0.807SS**  trans-64.9126.6-177.4-60.8160.713100111.8
360V26.2Very low24.4Very low136 Ų136146.3 Ų146.382%0.82481%0.807SS**  trans-148.6112.8150-178.10000109.1
361S22.2Very low24.6Very low106 Ų106138.7 Ų138.774%0.74179%0.793SS**  trans48.9134.8144.3-149.20000122.2D363S361-D363 PolarHBondContact O-N 3.22Å
362S31.8Very low24.7Very low117 Ų117138 Ų13882%0.81879%0.786SS**SBendtrans-69.465.1-172.8-64.20000117.5
363D23.4Very low24.8Very low158 Ų158141 Ų14185%0.84579%0.785SS**  trans-119.637.3158.2-75.8-41.5000111.8S361 A365S361-D363 PolarHBondContact O-N 3.22Å; D363-A365 PolarHBondContact O-N 2.97Å; D363-A365 VanDerWaalsContact O-N 3.15Å
364Y25.6Very low25Very low206 Ų206137.8 Ų137.881%0.80877%0.774SS**THydrogen-bonded Turntrans-8674-177.9-140.3-83.6000111.1M367Y364-M367 HydrophobicContact CE1-SD 4.28Å
365A27.9Very low24.8Very low87 Ų87136.8 Ų136.872%0.71977%0.766SS**THydrogen-bonded Turntrans-162-2.716200000117.1D363 M367D363-A365 PolarHBondContact O-N 2.97Å; D363-A365 VanDerWaalsContact O-N 3.15Å; A365-M367 PolarHBondContact O-N 3.32Å
366D23.9Very low25Very low158 Ų158141.4 Ų141.485%0.84577%0.77SS**  trans-93.734.3172.1-85.7-22.4000113V368D366-V368 PolarHBondContact O-N 2.74Å
367M26.2Very low25Very low145 Ų145143.6 Ų143.671%0.71477%0.766SS**  trans-70.162.5160.7-91.4-176.45500110.6Y364 A365Y364-M367 HydrophobicContact CE1-SD 4.28Å; A365-M367 PolarHBondContact O-N 3.32Å
368V26.9Very low25.1Very low130 Ų130142.7 Ų142.779%0.78876%0.764SS**  trans-134.835.3147.7-157.30000109.5D366D366-V368 PolarHBondContact O-N 2.74Å
369N23.6Very low25Very low143 Ų143142.8 Ų142.877%0.76576%0.763SS**SBendtrans-98.1116.2147.2-113.8-25.8000107
370N30.3Very low25Very low143 Ų143136 Ų13677%0.76574%0.744SS**SBendtrans87.842.9166.4-62.3-14.2000121.6
371S23.2Very low24.8Very low93 Ų93133.5 Ų133.565%0.6574%0.737SS**SBendtrans-133.4124.9151.359.90000109.7
372C24.8Very low24.8Very low106 Ų106133 Ų13372%0.71673%0.732SS**  trans7940.9-169.4-59.20000115.5D374C372-D374 VanDerWaalsContact CA-N 3.35Å; C372-D374 PolarHBondContact O-N 3.05Å; C372-D374 PolarHBondContact SG-OD2 2.83Å
373Q24Very low24.4Very low156 Ų156132.9 Ų132.973%0.72973%0.729SS**  -64.575120-84.7-159.8-1.800107.5V375Q373-V375 HydrophobicContact CB-CG2 3.97Å; Q373-V375 HydrophobicContact CG-CG2 4.09Å; Q373-V375 PolarHBondContact O-N 3.36Å
374D26.4Very low24.3Very low124 Ų124134.7 Ų134.766%0.66373%0.726SS**  trans-71.152.8145.5-71.8-48.9000107.1C372 F376C372-D374 VanDerWaalsContact CA-N 3.35Å; C372-D374 PolarHBondContact O-N 3.05Å; C372-D374 PolarHBondContact SG-OD2 2.83Å; D374-F376 PolarHBondContact O-N 2.94Å
375V24.6Very low24.1Very low87 Ų87132 Ų13253%0.52773%0.725SS.*  trans-55.3106.8137.4175.80000101.5Q373 R377Q373-V375 HydrophobicContact CB-CG2 3.97Å; Q373-V375 HydrophobicContact CG-CG2 4.09Å; Q373-V375 PolarHBondContact O-N 3.36Å; V375-R377 PolarHBondContact O-N 3.28Å
376F25.2Very low23.8Very low185 Ų185131.1 Ų131.181%0.81172%0.718SS**  trans-47.484.1159.7-81.1-100.9000107.1D374 M378D374-F376 PolarHBondContact O-N 2.94Å; F376-M378 PolarHBondContact O-N 2.99Å
377R21.6Very low23.6Very low212 Ų212128.8 Ų128.880%0.871%0.714SS**  trans-68.286.9155.3-90.6-171.6179.1-139.81.5102.2V375 L379V375-R377 PolarHBondContact O-N 3.28Å; R377-L379 PolarHBondContact O-N 2.8Å
378M23Very low23.5Very low153 Ų153129.9 Ų129.975%0.75472%0.719SS**  trans-46.694.9152.7-72.8-75.3-73.400105.6F376 G380F376-M378 PolarHBondContact O-N 2.99Å; M378-G380 PolarHBondContact O-N 2.88Å; M378-G380 VanDerWaalsContact O-O 3.09Å
379L22.9Very low23.2Very low167 Ų167127 Ų12787%0.87471%0.705SS**  trans-731.2170.9-81.3165.2000110.7R377R377-L379 PolarHBondContact O-N 2.8Å
380G22Very low23.5Very low45 Ų45126.7 Ų126.746%0.46471%0.711SS.*SBendtrans-77.2121.8155.500000108.8M378M378-G380 PolarHBondContact O-N 2.88Å; M378-G380 VanDerWaalsContact O-O 3.09Å
381A21.4Very low23.2Very low83 Ų83127.5 Ų127.569%0.68671%0.708SS**  trans-38.4130.3169.800000109.5C383A381-C383 PolarHBondContact O-N 3.05Å
382P22.9Very low23.3Very low96 Ų96125.4 Ų125.462%0.62370%0.701SS**  trans-55119.7178.524.6-33.2000106.2Y384P382-Y384 HydrophobicContact CB-CD2 3.57Å; P382-Y384 HydrophobicContact CB-CE2 3.79Å; P382-Y384 HydrophobicContact CG-CD2 3.68Å; P382-Y384 HydrophobicContact CG-CE2 3.94Å; P382-Y384 PolarHBondContact O-N 3.31Å
383C22.3Very low23.4Very low114 Ų114128 Ų12877%0.7771%0.708SS**  trans-67.657.4169.9-58.90000108.7A381 N385A381-C383 PolarHBondContact O-N 3.05Å; C383-N385 PolarHBondContact O-N 2.93Å; C383-N385 VanDerWaalsContact O-N 3.1Å
384Y21.9Very low23.8Very low195 Ų195125.4 Ų125.477%0.76570%0.698SS**THydrogen-bonded Turntrans-54.8113.4149.4-79.8-83.2000104.5P382P382-Y384 HydrophobicContact CB-CD2 3.57Å; P382-Y384 HydrophobicContact CB-CE2 3.79Å; P382-Y384 HydrophobicContact CG-CD2 3.68Å; P382-Y384 HydrophobicContact CG-CE2 3.94Å; P382-Y384 PolarHBondContact O-N 3.31Å
385N20.6Very low23.9Very low150 Ų150124.6 Ų124.680%0.80270%0.699SS**THydrogen-bonded Turntrans85.739.9176.6-41.8-33.9000116.7C383 S387C383-N385 PolarHBondContact O-N 2.93Å; C383-N385 VanDerWaalsContact O-N 3.1Å; N385-S387 PolarHBondContact O-N 3.09Å
386A21.2Very low24.3Very low69 Ų69125 Ų12557%0.5770%0.699SS**  -77.578.3128.500000106.4M388A386-M388 PolarHBondContact O-N 2.96Å
387S20.5Very low24.8Very low109 Ų109120.9 Ų120.976%0.76268%0.684SS**  trans-61.980.4162.4177.70000106.2N385 S389N385-S387 PolarHBondContact O-N 3.09Å; S387-S389 PolarHBondContact O-N 2.58Å
388M23.7Very low25.2Very low167 Ų167115 Ų11582%0.82367%0.668SS**  trans-66.596.6159.7-68.8-158.5-173.400103.8A386 P390A386-M388 PolarHBondContact O-N 2.96Å; M388-P390 WeakPolarHBondContact O-CD 3.44Å; M388-P390 VanDerWaalsContact O-N 3.07Å
389S22.1Very low25.8Very low70 Ų70112.3 Ų112.349%0.4966%0.656SS.*  trans-43.3122.7161.1-1790000105.9S387 K391 G392S387-S389 PolarHBondContact O-N 2.58Å; S389-K391 CarbonylContact O-C 3.58Å; S389-K391 PolarHBondContact O-N 3Å; S389-G392 PolarHBondContact O-N 3.03Å
390P28.7Very low26.3Very low136 Ų136108.7 Ų108.788%0.88364%0.64SS**THydrogen-bonded Turntrans-63.88.5-177.920-28.8000113.5M388M388-P390 WeakPolarHBondContact O-CD 3.44Å; M388-P390 VanDerWaalsContact O-N 3.07Å
391K25.2Very low26.7Very low160 Ų160108 Ų10870%0.69663%0.633SS**THydrogen-bonded Turntrans-133.243.4167.5-65.8-178.1176.9178.90111.3S389 N393S389-K391 CarbonylContact O-C 3.58Å; S389-K391 PolarHBondContact O-N 3Å; K391-N393 PolarHBondContact O-N 2.83Å
392G25.4Very low27.3Very low50 Ų50108.9 Ų108.952%0.51564%0.641SS.*  trans-56.5113.9165.800000107.6S389 I394S389-G392 PolarHBondContact O-N 3.03Å; G392-I394 VanDerWaalsContact C-N 3.28Å; G392-I394 PolarHBondContact O-N 3.11Å
393N25.8Very low28.3Very low159 Ų159110.7 Ų110.785%0.8565%0.645SS**  trans-51.886.8-176.6-67.4-31.7000110.9K391 P395K391-N393 PolarHBondContact O-N 2.83Å; N393-P395 VanDerWaalsContact O-CD 3.3Å; N393-P395 WeakPolarHBondContact O-CD 3.34Å
394I32.2Very low28.6Very low102 Ų102107.6 Ų107.652%0.52363%0.633SS.*  trans-66.7113.8157.4-59.6171.8000102.8G392 D396G392-I394 VanDerWaalsContact C-N 3.28Å; G392-I394 PolarHBondContact O-N 3.11Å; I394-D396 PolarHBondContact O-N 3.04Å; I394-D396 VanDerWaalsContact O-N 3.12Å
395P29.3Very low29Very low107 Ų107100.6 Ų100.670%0.69561%0.612SS**  trans-56.2127.117723.6-31.4000107N393 I397N393-P395 VanDerWaalsContact O-CD 3.3Å; N393-P395 WeakPolarHBondContact O-CD 3.34Å; P395-I397 PolarHBondContact O-N 2.8Å
396D31.5Very low29.3Very low97 Ų9798.4 Ų98.452%0.51960%0.599SS.*  trans-47.2112.7175.1-77.6-39.6000107.6I394 I398I394-D396 PolarHBondContact O-N 3.04Å; I394-D396 VanDerWaalsContact O-N 3.12Å; D396-I398 PolarHBondContact O-N 2.8Å
397I35.7Very low29.7Very low97 Ų97104 Ų10450%0.49761%0.606SS.*  trans-71.994.6174.7-58.1175.4000104.7P395 L399P395-I397 PolarHBondContact O-N 2.8Å; I397-L399 VanDerWaalsContact C-N 3.27Å; I397-L399 HydrophobicContact CG2-CD2 3.75Å; I397-L399 HydrophobicContact CG2-CG 4.16Å; I397-L399 PolarHBondContact O-N 3.01Å
398I31.2Very low30.4Very low90 Ų90103.4 Ų103.446%0.46259%0.594SS.*EExtended strand (participates in β ladder)trans-66.892.9170.9-68.5168.8000106.6D396 T400 I406D396-I398 PolarHBondContact O-N 2.8Å; I398-T400 PolarHBondContact O-N 3.34Å; I398-T400 VanDerWaalsContact O-N 3.07Å; I398-I406 HydrophobicContact CB-CG2 4.33Å; I398-I406 HydrophobicContact CG1-CG2 4.2Å; I398-I406 HydrophobicContact CG2-CB 4.08Å; I398-I406 HydrophobicContact CG2-CD1 4.32Å; I398-I406 HydrophobicContact CG2-CG1 3.78Å; I398-I406 HydrophobicContact CG2-CG2 3.47Å; I398-I406 VanDerWaalsContact CG2-CG2 3.47Å
399L35.9Very low30.9Very low96 Ų9698 Ų9850%0.50357%0.573SS.*EExtended strand (participates in β ladder)trans-72.7100.3167.6-63.5177.1000106.5I397 G401 R407I397-L399 VanDerWaalsContact C-N 3.27Å; I397-L399 HydrophobicContact CG2-CD2 3.75Å; I397-L399 HydrophobicContact CG2-CG 4.16Å; I397-L399 PolarHBondContact O-N 3.01Å; L399-G401 PolarHBondContact O-N 3.47Å; L399-R407 PolarHBondContact O-N 2.91Å
400T32.3Very low31.3Very low90 Ų9099.5 Ų99.555%0.55258%0.583SS**EExtended strand (participates in β ladder)trans-79.2112169.8-51.80000107I398 S405I398-T400 PolarHBondContact O-N 3.34Å; I398-T400 VanDerWaalsContact O-N 3.07Å; T400-S405 CarbonylContact C-O 3.53Å; T400-S405 WeakPolarHBondContact CA-O 3.48Å
401G30.2Very low31.4Very low30 Ų3099.5 Ų99.531%0.30957%0.573SS.*  trans-58.7159.3171.600000111.1L399 D403 G404 S405L399-G401 PolarHBondContact O-N 3.47Å; G401-D403 PolarHBondContact O-N 2.99Å; G401-G404 WeakPolarHBondContact O-CA 3.45Å; G401-G404 PolarHBondContact O-N 2.92Å; G401-S405 PolarHBondContact N-O 3.35Å
402A34.6Very low31.5Very low103 Ų10397 Ų9785%0.85158%0.576SS**THydrogen-bonded Turntrans-59.9-16.9178.700000113.6
403D44.6Very low31.7Very low133 Ų13398.8 Ų98.871%0.71158%0.577SS**THydrogen-bonded Turntrans-88.3-0.2173.363.5-23.1000113.8G401 S405G401-D403 PolarHBondContact O-N 2.99Å; D403-S405 VanDerWaalsContact OD1-CB 3.24Å; D403-S405 WeakPolarHBondContact OD1-CB 3.37Å; D403-S405 PolarHBondContact OD1-N 2.98Å; D403-S405 VanDerWaalsContact OD1-N 3.12Å; D403-S405 WeakPolarHBondContact OD2-CB 3.37Å
404G28.8Very low31.7Very low49 Ų4996 Ų9651%0.50557%0.57SS.*SBendtrans854.7-174.100000114.4G401 I406G401-G404 WeakPolarHBondContact O-CA 3.45Å; G401-G404 PolarHBondContact O-N 2.92Å; G404-I406 PolarHBondContact O-N 3.11Å
405S28.6Very low31.5Very low49 Ų4996.6 Ų96.634%0.34358%0.578SS.*  trans-71.8122.1179.3179.70000111.6T400 G401 D403 R407T400-S405 CarbonylContact C-O 3.53Å; T400-S405 WeakPolarHBondContact CA-O 3.48Å; G401-S405 PolarHBondContact N-O 3.35Å; D403-S405 VanDerWaalsContact OD1-CB 3.24Å; D403-S405 WeakPolarHBondContact OD1-CB 3.37Å; D403-S405 PolarHBondContact OD1-N 2.98Å; D403-S405 VanDerWaalsContact OD1-N 3.12Å; D403-S405 WeakPolarHBondContact OD2-CB 3.37Å; S405-R407 PolarHBondContact O-N 3.19Å
406I28.8Very low31.2Very low103 Ų10395.7 Ų95.753%0.52858%0.58SS.*EExtended strand (participates in β ladder)trans-82.3109.7173.3-65.4169.6000108.8I398 G404 N408I398-I406 HydrophobicContact CB-CG2 4.33Å; I398-I406 HydrophobicContact CG1-CG2 4.2Å; I398-I406 HydrophobicContact CG2-CB 4.08Å; I398-I406 HydrophobicContact CG2-CD1 4.32Å; I398-I406 HydrophobicContact CG2-CG1 3.78Å; I398-I406 HydrophobicContact CG2-CG2 3.47Å; I398-I406 VanDerWaalsContact CG2-CG2 3.47Å; G404-I406 PolarHBondContact O-N 3.11Å; I406-N408 WeakPolarHBondContact CG2-OD1 3.41Å
407R29.8Very low30.7Very low187 Ų18795.9 Ų95.971%0.70659%0.587SS**EExtended strand (participates in β ladder)trans-98.2102.7167.6-71.1-172.6177.3-166-0.4109.4L399 S405 S409L399-R407 PolarHBondContact O-N 2.91Å; S405-R407 PolarHBondContact O-N 3.19Å; R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 PolarHBondContact O-OG 2.82Å
408N33.2Very low30.2Very low97 Ų9795.7 Ų95.752%0.51959%0.592SS.*EExtended strand (participates in β ladder)trans-65104.6168.2-79.110.6000108.7I406I406-N408 WeakPolarHBondContact CG2-OD1 3.41Å
409S35Very low29.7Very low53 Ų5394.5 Ų94.537%0.37160%0.596SS.*  trans-10089.5175.6-530000107.8R407 M411R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 PolarHBondContact O-OG 2.82Å; S409-M411 PolarHBondContact O-N 3.49Å
410S30.9Very low29.2Very low101 Ų101100.1 Ų100.171%0.70661%0.612SS**  trans-68.499.6169.957.50000108.2S412S410-S412 PolarHBondContact O-N 3.48Å
411M30.5Very low28.7Very low137 Ų137105.3 Ų105.368%0.67562%0.623SS**  trans-73.995.7174.9-162.9175.7-64.800108S409 T413S409-M411 PolarHBondContact O-N 3.49Å; M411-T413 HydrophobicContact CG-CG2 4.21Å; M411-T413 PolarHBondContact O-N 3.12Å
412S27Very low28.5Very low107 Ų107112.1 Ų112.175%0.74865%0.646SS**  trans-71.792172.8-170.80000108.6S410 S414S410-S412 PolarHBondContact O-N 3.48Å; S412-S414 PolarHBondContact O-N 3.25Å
413T30.8Very low28.1Very low87 Ų87112.6 Ų112.653%0.53465%0.65SS.*  trans-80.373.9169.958.10000108.7M411 V415M411-T413 HydrophobicContact CG-CG2 4.21Å; M411-T413 PolarHBondContact O-N 3.12Å; T413-V415 PolarHBondContact O-N 3.4Å
414S24.3Very low27.3Very low101 Ų101109.5 Ų109.571%0.70665%0.649SS**  trans-70.878.3159.664.90000107.7S412 A416S412-S414 PolarHBondContact O-N 3.25Å; S414-A416 PolarHBondContact O-N 3.13Å
415V28.8Very low27.4Very low114 Ų114110.5 Ų110.569%0.69165%0.653SS**  trans-75.183.1163.2-171.50000105T413 C417T413-V415 PolarHBondContact O-N 3.4Å; V415-C417 PolarHBondContact O-N 3.47Å
416A22.2Very low27.8Very low89 Ų89115.1 Ų115.174%0.73668%0.679SS**  trans-66.490.1160.300000105.5S414 P418S414-A416 PolarHBondContact O-N 3.13Å; A416-P418 WeakPolarHBondContact O-CD 3.32Å
417C22.7Very low27.7Very low100 Ų100114.8 Ų114.868%0.67668%0.679SS**  trans-55.1122.1164.4-67.50000105.9V415 A419V415-C417 PolarHBondContact O-N 3.47Å; C417-A419 VanDerWaalsContact C-N 3.33Å; C417-A419 PolarHBondContact O-N 3.36Å
418P23.4Very low27.8Very low94 Ų94111.6 Ų111.661%0.6168%0.682SS**  trans-62.2104.2173.323.7-29.1000106.6A416 Y420A416-P418 WeakPolarHBondContact O-CD 3.32Å; P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.21Å; P418-Y420 WeakPolarHBondContact O-CD2 3.47Å; P418-Y420 PolarHBondContact O-N 2.92Å
419A22Very low27.6Very low64 Ų64112.8 Ų112.853%0.52969%0.693SS.*  trans-63.1105163.800000105.3C417 Y421C417-A419 VanDerWaalsContact C-N 3.33Å; C417-A419 PolarHBondContact O-N 3.36Å; A419-Y421 HydrophobicContact CB-CD2 4.19Å; A419-Y421 HydrophobicContact CB-CE2 3.74Å; A419-Y421 WeakPolarHBondContact O-CD2 3.08Å; A419-Y421 PolarHBondContact O-N 2.84Å
420Y24Very low27.1Very low214 Ų214115.2 Ų115.284%0.83971%0.706SS**  trans-66.190.6168.8-69.2-90.3000106.6P418 E422P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.21Å; P418-Y420 WeakPolarHBondContact O-CD2 3.47Å; P418-Y420 PolarHBondContact O-N 2.92Å; Y420-E422 PolarHBondContact O-N 2.94Å
421Y22.3Very low27.1Very low200 Ų200117.5 Ų117.578%0.78471%0.709SS**  trans-70.6112161.1-66.7-81.4000105.8A419 A423A419-Y421 HydrophobicContact CB-CD2 4.19Å; A419-Y421 HydrophobicContact CB-CE2 3.74Å; A419-Y421 WeakPolarHBondContact O-CD2 3.08Å; A419-Y421 PolarHBondContact O-N 2.84Å; Y421-A423 PolarHBondContact O-N 2.99Å
422E26.7Very low26.8Very low173 Ų173115 Ų11581%0.80871%0.71SS**  trans-54.5112175-148.9171.4-16000108Y420 G424Y420-E422 PolarHBondContact O-N 2.94Å; E422-G424 PolarHBondContact O-N 3.15Å
423A26.4Very low26.7Very low113 Ų113117.4 Ų117.493%0.93471%0.709SS**THydrogen-bonded Turntrans-69.482179.200000108.4Y421Y421-A423 PolarHBondContact O-N 2.99Å
424G27.9Very low26.6Very low67 Ų67119.4 Ų119.469%0.69172%0.721SS**THydrogen-bonded Turntrans173.5-23.3-179.300000115.9E422 T426E422-G424 PolarHBondContact O-N 3.15Å; G424-T426 PolarHBondContact O-N 2.85Å
425A29.3Very low26.5Very low71 Ų71123 Ų12359%0.58773%0.726SS**  trans-90.995.7174.800000110.4N427A425-N427 PolarHBondContact O-N 3.18Å
426T37.1Very low26.8Very low145 Ų145126.2 Ų126.289%0.8975%0.754SS**SBendtrans-68.350.6167.9370000112.2G424G424-T426 PolarHBondContact O-N 2.85Å
427N27.5Very low27.1Very low97 Ų97128.1 Ų128.152%0.51976%0.755SS.*  trans173.4120.2148.9-121.9-42.6000109.2A425 T429A425-N427 PolarHBondContact O-N 3.18Å; N427-T429 PolarHBondContact O-N 2.9Å
428P32Very low27.3Very low119 Ų119129.6 Ų129.677%0.77376%0.759SS**THydrogen-bonded Turntrans-70.911.8-178.728.5-34.7000115.4
429T29.8Very low27.5Very low122 Ų122131.6 Ų131.675%0.74877%0.767SS**THydrogen-bonded Turntrans-118.37.3-179.748.10000114.8N427N427-T429 PolarHBondContact O-N 2.9Å
430T23.7Very low27.8Very low105 Ų105135.5 Ų135.564%0.64478%0.781SS**  trans-113.1102.5-178.5-24.90000111.2A432T430-A432 PolarHBondContact O-N 3.45Å; T430-A432 VanDerWaalsContact O-N 3.11Å
431I29.9Very low28.1Very low148 Ų148130.6 Ų130.676%0.75978%0.778SS**  trans-69.1100165.2-59.3169.9000106.4H433I431-H433 PolarHBondContact O-N 2.97Å
432A24.8Very low28.5Very low84 Ų84126 Ų12669%0.69478%0.777SS**  trans-7593.6175.200000109.5T430 V434T430-A432 PolarHBondContact O-N 3.45Å; T430-A432 VanDerWaalsContact O-N 3.11Å; A432-V434 HydrophobicContact CB-CG2 4.41Å; A432-V434 PolarHBondContact O-N 2.85Å
433H25Very low28.6Very low158 Ų158122.6 Ų122.673%0.73178%0.775SS**  trans-69.898157.7-84.4-90.4000108I431 H435I431-H433 PolarHBondContact O-N 2.97Å; H433-H435 PolarHBondContact O-N 2.96Å
434V28Very low28.8Very low130 Ų130123.4 Ų123.479%0.78876%0.763SS**  trans-88.597.2169.4-176.30000108.3A432A432-V434 HydrophobicContact CB-CG2 4.41Å; A432-V434 PolarHBondContact O-N 2.85Å
435H23.8Very low28.8Very low175 Ų175128.1 Ų128.181%0.8177%0.769SS**  trans-87.2115.2158.7-94.1-102.7000108.5H433H433-H435 PolarHBondContact O-N 2.96Å
436S35Very low28.8Very low183 Ų183133.3 Ų133.3100%1.2879%0.785SS**  trans173.30134.563.10000109.5

Retrieved 436 of 436 residues in 163.2 ms (Link to these results)