A0A3Q0KL56_SCHMA Loading...

Rab-gap/tbc-related

AlphaFold DB , UniProt , Accession A0A3Q0KL56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low30.4Very low242 Ų242165.7 Ų165.7100%1.19285%0.85SS**  0103.40-74.7167.7165.600107.7
2K34Very low30.6Very low197 Ų197160.9 Ų160.986%0.85784%0.842SS**  trans-125.9104.2-179-78.9-177.4174.8-179.20107.2N4K2-N4 PolarHBondContact O-N 3.37Å
3H35.5Very low30.6Very low193 Ų193159.9 Ų159.989%0.89484%0.838SS**  trans-75.1110.2167.6-85.8-87.4000107.8
4N25.6Very low30.9Very low143 Ų143160.9 Ų160.977%0.76584%0.843SS**  trans-97.8122.3163.9-72.6-18.1000107.2K2K2-N4 PolarHBondContact O-N 3.37Å
5S34.4Very low30.9Very low117 Ų117154.7 Ų154.782%0.81883%0.834SS**  trans-153.4115147.845.60000108.9
6I28.9Very low31.2Very low165 Ų165154.5 Ų154.585%0.84684%0.839SS**  trans-81.5139.7-172.1-70.8164000109.2
7S26.2Very low31.4Very low103 Ų103152.9 Ų152.972%0.7284%0.836SS**  trans-93.9162.6169.9-28.70000111.2
8R25.2Very low31.8Very low235 Ų235150.4 Ų150.489%0.88783%0.831SS**  trans79.9139172.6-65.9179.9166.6132.4-2.6113.8
9I29.7Very low32.1Very low156 Ų156148.7 Ų148.780%0.883%0.831SS**  -157.9134.967.8-74.9150.5000109.8
10E26.2Very low32.5Very low189 Ų189150.7 Ų150.788%0.88383%0.83SS**  trans-83.4153.9155.5-75.6-177.3161.200109.8
11A27.4Very low32.6Very low83 Ų83155.1 Ų155.169%0.68684%0.835SS**  trans109128.5157.700000118.1
12S32.8Very low32.8Very low108 Ų108151.9 Ų151.976%0.75581%0.814SS**  trans73.8127130.8580000120.6
13D30.5Very low33Very low148 Ų148151 Ų15179%0.79181%0.81SS**  trans-7.4117.4146-67.1-39.7000115.9
14L35.4Very low33.3Very low173 Ų173148.8 Ų148.891%0.90680%0.804SS**  169.9117.4115.9-106.9101.4000109.8
15G31.5Very low34Very low69 Ų69144.9 Ų144.971%0.71179%0.786SS**  trans52106.3140.800000120.2
16V34.7Very low34.5Very low151 Ų151143.2 Ų143.292%0.91577%0.768SS**  trans-130.3113.2132.6-177.70000109.1
17T35.6Very low35.6Very low128 Ų128139.4 Ų139.479%0.78575%0.749SS**  trans-73.4132.5-177.551.30000112.1
18S38Very low36.8Very low107 Ų107138.1 Ų138.175%0.74874%0.74SS**  trans-123.3100.5139.565.10000108K20S18-K20 VanDerWaalsContact C-N 3.32Å; S18-K20 PolarHBondContact O-N 2.87Å
19S37.1Very low38.2Very low119 Ų119133.7 Ų133.783%0.83273%0.727SS**  trans-73.784-178-158.30000109.4R21S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.15Å
20K40.9Very low39.2Very low188 Ų188129.1 Ų129.182%0.81771%0.712SS**  trans-71.1104.2163.8-77.7-173.4-179.5178.50107.3S18 K22S18-K20 VanDerWaalsContact C-N 3.32Å; S18-K20 PolarHBondContact O-N 2.87Å; K20-K22 VanDerWaalsContact C-N 3.31Å; K20-K22 PolarHBondContact O-N 3.18Å
21R34.8Very low40.4Very low244 Ų244123.7 Ų123.792%0.92169%0.689SS**  trans-59.690.1173.4-165.4175.9-178.7-177.10.2108.9S19 F23S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.15Å; R21-F23 PolarHBondContact O-N 2.86Å
22K45.1Very low41.8Very low174 Ų174124.6 Ų124.676%0.75768%0.682SS**  trans-69.9117.2173-83-172.8174-172.60108.4K20 I24K20-K22 VanDerWaalsContact C-N 3.31Å; K20-K22 PolarHBondContact O-N 3.18Å; K22-I24 PolarHBondContact O-N 2.85Å
23F36.4Very low42.7Very low177 Ų177127 Ų12778%0.77668%0.679SS**  trans-72.3117166.9179-99.1000107.9R21 P25R21-F23 PolarHBondContact O-N 2.86Å; F23-P25 HydrophobicContact CD1-CB 4.42Å; F23-P25 HydrophobicContact CD1-CG 4.22Å; F23-P25 HydrophobicContact CE1-CB 3.79Å; F23-P25 HydrophobicContact CE1-CG 4.02Å; F23-P25 VanDerWaalsContact O-CD 3.31Å; F23-P25 WeakPolarHBondContact O-CD 3.45Å
24I41.8Very low43.7Very low147 Ų147124 Ų12475%0.75467%0.669SS**  trans-103.3100.9175-55.2176.6000106.9K22 N26K22-I24 PolarHBondContact O-N 2.85Å; I24-N26 PolarHBondContact O-N 3.15Å
25P40.5Very low44.4Very low62 Ų62123.5 Ų123.540%0.40366%0.656SS.*  trans-66.7126.117118.2-17.9000109.3F23 I27F23-P25 HydrophobicContact CD1-CB 4.42Å; F23-P25 HydrophobicContact CD1-CG 4.22Å; F23-P25 HydrophobicContact CE1-CB 3.79Å; F23-P25 HydrophobicContact CE1-CG 4.02Å; F23-P25 VanDerWaalsContact O-CD 3.31Å; F23-P25 WeakPolarHBondContact O-CD 3.45Å; P25-I27 VanDerWaalsContact C-N 3.31Å; P25-I27 WeakPolarHBondContact O-CG1 3.46Å; P25-I27 PolarHBondContact O-N 2.94Å
26N44.9Very low45.3Very low82 Ų82128.1 Ų128.144%0.43966%0.659SS.*  trans-7585.2174.5-171.4-36.9000109.4I24 S28 K29 A30I24-N26 PolarHBondContact O-N 3.15Å; N26-S28 VanDerWaalsContact C-N 3.26Å; N26-S28 PolarHBondContact O-N 2.85Å; N26-S28 PolarHBondContact OD1-OG 3.46Å; N26-K29 HydrophobicContact CB-CB 4.45Å; N26-K29 PolarHBondContact O-N 3.41Å; N26-K29 WeakPolarHBondContact OD1-CG 3.43Å; N26-K29 PolarHBondContact OD1-N 3.34Å; N26-A30 PolarHBondContact O-N 3.39Å
27I52.2Low46.1Very low85 Ų85127.6 Ų127.644%0.43665%0.651SS.*Hα-helixtrans-62.7-33.8-175.9-30.7176.7000111.3P25 K29 A30 L31P25-I27 VanDerWaalsContact C-N 3.31Å; P25-I27 WeakPolarHBondContact O-CG1 3.46Å; P25-I27 PolarHBondContact O-N 2.94Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.23Å; I27-A30 PolarHBondContact O-N 3.38Å; I27-A30 VanDerWaalsContact O-N 3.09Å; I27-L31 HydrophobicContact CG2-CD1 4.27Å; I27-L31 PolarHBondContact O-N 3.07Å; I27-L31 VanDerWaalsContact O-N 3.09Å
28S51.9Low46.8Very low76 Ų76128.6 Ų128.653%0.53165%0.651SS.*Hα-helixtrans-66-31.1178.647.40000112.8N26 N32N26-S28 VanDerWaalsContact C-N 3.26Å; N26-S28 PolarHBondContact O-N 2.85Å; N26-S28 PolarHBondContact OD1-OG 3.46Å; S28-N32 WeakPolarHBondContact O-CB 3.48Å; S28-N32 PolarHBondContact O-N 3.39Å; S28-N32 PolarHBondContact O-ND2 2.86Å
29K55Low47Very low142 Ų142129.9 Ų129.962%0.61765%0.654SS**Hα-helixtrans-76.2-26170.8-73.8-173.7-177.1-174.70113.8N26 I27 K33N26-K29 HydrophobicContact CB-CB 4.45Å; N26-K29 PolarHBondContact O-N 3.41Å; N26-K29 WeakPolarHBondContact OD1-CG 3.43Å; N26-K29 PolarHBondContact OD1-N 3.34Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.23Å; K29-K33 WeakPolarHBondContact O-CG 3.31Å
30A51.3Low47.2Very low59 Ų59128 Ų12849%0.48865%0.646SS.*Hα-helixtrans-73.9-42.3177.800000111.3N26 I27N26-A30 PolarHBondContact O-N 3.39Å; I27-A30 PolarHBondContact O-N 3.38Å; I27-A30 VanDerWaalsContact O-N 3.09Å
31L51.4Low47.1Very low75 Ų75126.5 Ų126.539%0.39365%0.647SS.*Hα-helixtrans-73.5-30.5-178.9-65.7170.9000113.5I27I27-L31 HydrophobicContact CG2-CD1 4.27Å; I27-L31 PolarHBondContact O-N 3.07Å; I27-L31 VanDerWaalsContact O-N 3.09Å
32N55Low47.3Very low102 Ų102127 Ų12755%0.54565%0.649SS.*Hα-helixtrans-78.9-16.4-177.5-79-21.7000114.9S28 S34 R35S28-N32 WeakPolarHBondContact O-CB 3.48Å; S28-N32 PolarHBondContact O-N 3.39Å; S28-N32 PolarHBondContact O-ND2 2.86Å; N32-S34 VanDerWaalsContact C-N 3.27Å; N32-S34 PolarHBondContact O-N 3.42Å; N32-R35 PolarHBondContact O-N 3.09Å
33K52.5Low46.8Very low159 Ų159124.3 Ų124.369%0.69165%0.651SS**THydrogen-bonded Turntrans-71.9-20179.5-75.1179.6-179.2-173.10113.8K29K29-K33 WeakPolarHBondContact O-CG 3.31Å
34S52Low47Very low84 Ų84121 Ų12159%0.58765%0.647SS**THydrogen-bonded Turntrans-78-34.4176.8175.10000112.1N32 Q36N32-S34 VanDerWaalsContact C-N 3.27Å; N32-S34 PolarHBondContact O-N 3.42Å; S34-Q36 VanDerWaalsContact C-N 3.26Å; S34-Q36 PolarHBondContact O-N 3.12Å; S34-Q36 VanDerWaalsContact O-N 3.15Å
35R50.4Low46.7Very low164 Ų164125.3 Ų125.362%0.61965%0.654SS**THydrogen-bonded Turntrans-73-8.1-174.6-73.3-170170.8-160.8-3.1115.8N32N32-R35 PolarHBondContact O-N 3.09Å
36Q50.6Low46.7Very low166 Ų166131.7 Ų131.778%0.77668%0.678SS**THydrogen-bonded Turntrans-95.8-3.4-176.9-102.6179.8-21.600114.9S34S34-Q36 VanDerWaalsContact C-N 3.26Å; S34-Q36 PolarHBondContact O-N 3.12Å; S34-Q36 VanDerWaalsContact O-N 3.15Å
37N50.6Low46.4Very low140 Ų140135.1 Ų135.175%0.74970%0.696SS**SBendtrans-102.7-2-174.5-85.8-9000116.1
38D49.7Very low46.1Very low149 Ų149137.4 Ų137.480%0.79771%0.714SS**SBendtrans-99.37.9-175.9-75.1-32.8000115.4
39T43.8Very low45.4Very low133 Ų133139.1 Ų139.182%0.81672%0.723SS**SBendtrans-136.760.6178.746.30000113
40A40.2Very low44.9Very low79 Ų79142 Ų14265%0.65374%0.736SS**  trans-143.1127.8162.500000111.8
41N38.9Very low44.5Very low157 Ų157145.9 Ų145.984%0.8475%0.754SS**  trans9476.6162.2-52.4-26.6000117.9
42R38.7Very low44Very low255 Ų255153.3 Ų153.396%0.96278%0.777SS**  trans-77.4122.4136.3-73.6-171.3-170.3-157.83.2108.7
43C34.4Very low43.5Very low118 Ų118153.2 Ų153.280%0.79778%0.781SS**  trans-52.4178.3166.5-76.60000113.9
44P41.3Very low42.8Very low107 Ų107154.1 Ų154.170%0.69579%0.788SS**  cis-144.6168.111.418.310000119
45R35Very low42.5Very low237 Ų237154.5 Ų154.589%0.89479%0.789SS**  trans64.5117.3141.7-71.2172.4-171.5172.32.5121.4
46Q40.5Very low41.9Very low197 Ų197158.3 Ų158.392%0.92180%0.803SS**  -158.1148.6126.8-113.3177.84.300112.3
47D39.2Very low41.3Very low153 Ų153155.6 Ų155.682%0.81880%0.803SS**  trans-74.4164.7-162.4-69.6-68.6000117.9
48V45.2Very low40.7Very low134 Ų134156 Ų15681%0.81281%0.81SS**  trans135.1118.9134.2-177.20000113.6
49P38.7Very low40Very low111 Ų111158.9 Ų158.972%0.72181%0.81SS**  trans-113.9149.8172.237.8-26.8000114.2
50K44.1Very low39.7Very low203 Ų203158.1 Ų158.188%0.88381%0.81SS**  trans168.4131.3156.7-94.3160.5-173.1-176.20106
51T41.8Very low39.6Very low140 Ų140162.4 Ų162.486%0.85981%0.811SS**  cis-170.4150.743-25.30000109
52R42.6Very low39.6Very low232 Ų232163.4 Ų163.488%0.87581%0.81SS**  trans-88.2-173.7-179.5-144.5-168.6168.5175.8-1.3111.2
53P44.4Very low39.5Very low99 Ų99158.5 Ų158.564%0.64380%0.803SS**  cis-122.7162.9-4914.78.8000115.4
54E36.2Very low39.5Very low178 Ų178160 Ų16083%0.83280%0.803SS**  trans17.2174.7134.1-90.2-145.3148.900124.4
55P46.6Very low39.4Very low93 Ų93160.9 Ų160.960%0.60481%0.807SS**  cis-141.8174.8-33.935.7-17.2000114.3
56R38.3Very low39.5Very low243 Ų243158 Ų15892%0.91780%0.803SS**  trans179.2114.3136.4-101.8169.2-175.9168.22.7114.4
57S36.7Very low39.4Very low110 Ų110160 Ų16077%0.76980%0.802SS**  trans38.5117.3135.9-164.60000121.2
58T38.8Very low39.3Very low148 Ų148157.6 Ų157.691%0.90880%0.798SS**  -151.2138.4125.632.60000111
59R35.2Very low38.6Very low210 Ų210154.3 Ų154.379%0.79279%0.791SS**  trans-71.1131.6-174.3-129.4175.3-177.3-167.30.6111.3Y61R59-Y61 HydrophobicContact CG-CE2 4.49Å
60S37.6Very low38.6Very low117 Ų117153.6 Ų153.682%0.81879%0.788SS**  trans-148.9111161.1172.60000109.3
61Y36.6Very low38.3Very low169 Ų169153.2 Ų153.266%0.66379%0.789SS**  trans-65.8132.2172.3-71.7-101.6000110R59R59-Y61 HydrophobicContact CG-CE2 4.49Å
62Q40Very low38.2Very low178 Ų178149.3 Ų149.383%0.83277%0.768SS**  170118.8124.1-93171.7-1.500112
63N36.8Very low38.7Very low151 Ų151145.1 Ų145.181%0.80777%0.768SS**  trans6784152.8-61.4-13.7000118.3T65N63-T65 PolarHBondContact O-N 3.38Å
64D33Very low39.5Very low149 Ų149149.6 Ų149.680%0.79777%0.772SS**  trans-49.7118.9144.1-76.8-54.4000111.5
65T39.9Very low40.7Very low126 Ų126143.8 Ų143.877%0.77375%0.75SS**  trans-141.482.5133.7-41.90000105.8N63 R67N63-T65 PolarHBondContact O-N 3.38Å; T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.26Å
66Q37.1Very low41.6Very low176 Ų176144.2 Ų144.282%0.82274%0.744SS**  trans-54.7101.9160.6-82-169.1-8.200107.4S68Q66-S68 PolarHBondContact O-N 3.27Å
67R38.4Very low42.9Very low239 Ų239137.5 Ų137.590%0.90272%0.721SS**  trans-66.289.9157.8-77.4-174.1179.8-136.90.2106.1T65 G69T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.26Å; R67-G69 PolarHBondContact O-N 3.09Å
68S37.7Very low44.3Very low103 Ų103135.5 Ų135.572%0.7270%0.704SS**  trans-42.6121.2158.6165.30000107.7Q66 C70Q66-S68 PolarHBondContact O-N 3.27Å; S68-C70 VanDerWaalsContact C-N 3.33Å; S68-C70 PolarHBondContact O-N 3.15Å
69G31.2Very low45.5Very low65 Ų65131.8 Ų131.867%0.6768%0.677SS**  trans-58.299.5173.700000108.2R67 Q71R67-G69 PolarHBondContact O-N 3.09Å; G69-Q71 PolarHBondContact O-N 2.82Å
70C38.2Very low46.5Very low97 Ų97124 Ų12466%0.65565%0.654SS**  trans-73.283.4172.6-154.30000106.6S68 S72S68-C70 VanDerWaalsContact C-N 3.33Å; S68-C70 PolarHBondContact O-N 3.15Å; C70-S72 PolarHBondContact O-N 3.32Å
71Q36.5Very low47.4Very low194 Ų194120.9 Ų120.991%0.90763%0.625SS**  trans-68.268.5158.1-67.2-162.69.500107.5G69G69-Q71 PolarHBondContact O-N 2.82Å
72S40.4Very low48.3Very low59 Ų59115.5 Ų115.541%0.41361%0.612SS.*  trans-84.1118.2163.6-170.30000106C70 R74C70-S72 PolarHBondContact O-N 3.32Å; S72-R74 PolarHBondContact O-N 3.4Å; S72-R74 VanDerWaalsContact O-N 3.12Å
73T53.3Low48.9Very low144 Ų144108 Ų10888%0.88358%0.577SS**  trans-68.21.3172.349.70000112.7
74R60.4Low49.7Very low192 Ų192104.4 Ų104.473%0.72556%0.555SS**SBendtrans-98.5139.3-178.2-69.4-173.2174.7-175.5-3.2111.5S72S72-R74 PolarHBondContact O-N 3.4Å; S72-R74 VanDerWaalsContact O-N 3.12Å
75P61.5Low50.1Low56 Ų56105 Ų10536%0.36455%0.552SS.*PPolyproline II helixtrans-54.3137.9174.7-26.135.5000112.4L217 D218 N219P75-L217 HydrophobicContact CB-CB 4.21Å; P75-L217 HydrophobicContact CB-CD1 4.01Å; P75-D218 WeakPolarHBondContact CA-OD1 3.3Å; P75-N219 HydrophobicContact CB-CB 4.3Å; P75-N219 WeakPolarHBondContact CB-ND2 3.35Å; P75-N219 HydrophobicContact CG-CB 4.37Å; P75-N219 WeakPolarHBondContact CG-ND2 3.3Å
76Q65.6Low50.1Low103 Ų103105.7 Ų105.748%0.48156%0.557SS.*PPolyproline II helixtrans-101.1145.4179.9-59.5-171.72.100111.4V78 L217 D218Q76-V78 PolarHBondContact O-N 2.98Å; Q76-L217 WeakPolarHBondContact O-CA 2.96Å; Q76-D218 WeakPolarHBondContact CB-OD2 3.09Å; Q76-D218 PolarHBondContact N-OD1 3.07Å; Q76-D218 PolarHBondContact N-OD2 3.03Å; Q76-D218 PolarHBondContact O-N 3.21Å
77F66.9Low49.9Very low101 Ų10198.6 Ų98.644%0.44353%0.531SS..EExtended strand (participates in β ladder)trans-63.8126.5174.7172.3-101.8000111.1H79 Q215 L217F77-H79 WeakPolarHBondContact CE2-O 3.36Å; F77-Q215 HydrophobicContact CD2-CB 3.97Å; F77-Q215 HydrophobicContact CD2-CG 4.05Å; F77-Q215 HydrophobicContact CE2-CB 3.96Å; F77-Q215 HydrophobicContact CE2-CG 3.82Å; F77-L217 HydrophobicContact CB-CD2 4.48Å
78V64.9Low49.7Very low68 Ų6892.2 Ų92.241%0.41251%0.513SS..EExtended strand (participates in β ladder)trans-103.9-49.5176176.60000111.2Q76 L216 D218Q76-V78 PolarHBondContact O-N 2.98Å; V78-L216 WeakPolarHBondContact CB-O 3.19Å; V78-L216 PolarHBondContact N-O 2.97Å; V78-D218 HydrophobicContact CG2-CB 3.52Å; V78-D218 VanDerWaalsContact CG2-N 3.28Å
79H64.1Low49.4Very low71 Ų7190.2 Ų90.233%0.32951%0.509SS..EExtended strand (participates in β ladder)trans-157.2155.1-172.5-166.363.7000112F77 Y81 Q215 L216F77-H79 WeakPolarHBondContact CE2-O 3.36Å; H79-Y81 AromaticContact CD2-CE2 3.52Å; H79-Y81 AromaticContact CD2-CZ 3.48Å; H79-Y81 VanDerWaalsContact CD2-CZ 3.48Å; H79-Y81 AromaticContact NE2-CE1 3.73Å; H79-Y81 AromaticContact NE2-CZ 3.65Å; H79-Q215 CarbonylContact O-C 3.39Å; H79-Q215 WeakPolarHBondContact O-CA 3.19Å; H79-L216 PolarHBondContact N-O 3.12Å; H79-L216 PolarHBondContact O-N 3.35Å
80S55.5Low49.4Very low45 Ų4589.4 Ų89.432%0.31549%0.493SS..EExtended strand (participates in β ladder)trans-134.3141.1173.154.50000112.1I214S80-I214 CarbonylContact C-O 3.38Å; S80-I214 WeakPolarHBondContact CA-O 3.42Å; S80-I214 WeakPolarHBondContact CB-O 3.44Å
81Y57.5Low49.1Very low52 Ų5291.1 Ų91.120%0.20449%0.494CS..EExtended strand (participates in β ladder)trans-101.5127.4165.4-61.1-85.2000108.9H79 I83 F180 I214 L216H79-Y81 AromaticContact CD2-CE2 3.52Å; H79-Y81 AromaticContact CD2-CZ 3.48Å; H79-Y81 VanDerWaalsContact CD2-CZ 3.48Å; H79-Y81 AromaticContact NE2-CE1 3.73Å; H79-Y81 AromaticContact NE2-CZ 3.65Å; Y81-I83 PolarHBondContact O-N 2.93Å; Y81-F180 HydrophobicContact CD1-CB 4.17Å; Y81-F180 HydrophobicContact CD2-CB 3.62Å; Y81-F180 HydrophobicContact CD2-CD1 4.11Å; Y81-F180 HydrophobicContact CD2-CD2 4.01Å; Y81-F180 AromaticContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CE1-CB 3.86Å; Y81-F180 WeakPolarHBondContact CE1-O 3.13Å; Y81-F180 HydrophobicContact CE2-CB 3.25Å; Y81-F180 AromaticContact CE2-CD2 3.97Å; Y81-F180 HydrophobicContact CE2-CD2 3.97Å; Y81-F180 AromaticContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CG-CB 4.06Å; Y81-F180 HydrophobicContact CG-CD1 4.31Å; Y81-F180 HydrophobicContact CG-CG 4.23Å; Y81-F180 PolarHBondContact OH-O 2.82Å; Y81-I214 PolarHBondContact N-O 3.19Å; Y81-I214 PolarHBondContact O-N 3.4Å; Y81-L216 HydrophobicContact CD2-CD1 3.54Å; Y81-L216 HydrophobicContact CE2-CD1 3.51Å; Y81-L216 HydrophobicContact CE2-CD2 4.01Å; Y81-L216 HydrophobicContact CE2-CG 4.46Å
82S56Low49Very low56 Ų5685.9 Ų85.939%0.39248%0.484SS..EExtended strand (participates in β ladder)trans-73.4115.6169.4-156.10000107L210S82-L210 WeakPolarHBondContact OG-CD1 3.09Å
83I52.9Low48.6Very low20 Ų2092.5 Ų92.510%0.10351%0.505CS..THydrogen-bonded Turntrans-77.413917048.5174000106.8Y81 L210 F211 G212 I214 L224Y81-I83 PolarHBondContact O-N 2.93Å; I83-L210 WeakPolarHBondContact O-CD1 3.16Å; I83-F211 HydrophobicContact CD1-CD2 4.48Å; I83-F211 HydrophobicContact CD1-CE2 3.78Å; I83-F211 HydrophobicContact CD1-CZ 3.84Å; I83-G212 VanDerWaalsContact CG1-O 3.3Å; I83-G212 WeakPolarHBondContact CG1-O 3.43Å; I83-I214 HydrophobicContact CG2-CD1 3.6Å; I83-I214 HydrophobicContact CG2-CG1 3.85Å; I83-L224 HydrophobicContact CD1-CD1 3.72Å
84F52.2Low47.7Very low77 Ų7790.4 Ų90.434%0.33849%0.494SS..THydrogen-bonded Turntrans93.923.1-179.3-46.1-68.1000120.8G209 F211F84-G209 WeakPolarHBondContact CB-O 3.48Å; F84-G209 WeakPolarHBondContact CD2-O 3.46Å; F84-G209 WeakPolarHBondContact CG-O 3.27Å; F84-F211 AromaticContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CE1 4.04Å; F84-F211 HydrophobicContact CD2-CG 4.39Å; F84-F211 HydrophobicContact CE1-CD1 4.45Å; F84-F211 AromaticContact CE1-CE1 3.99Å; F84-F211 HydrophobicContact CE1-CE1 3.99Å; F84-F211 AromaticContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD2 4.32Å; F84-F211 AromaticContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE2 4.13Å; F84-F211 AromaticContact CE2-CG 3.8Å; F84-F211 HydrophobicContact CE2-CG 3.8Å; F84-F211 AromaticContact CE2-CZ 3.46Å; F84-F211 HydrophobicContact CE2-CZ 3.46Å; F84-F211 VanDerWaalsContact CE2-CZ 3.46Å; F84-F211 AromaticContact CZ-CD1 3.51Å; F84-F211 HydrophobicContact CZ-CD1 3.51Å; F84-F211 AromaticContact CZ-CE1 2.91Å; F84-F211 HydrophobicContact CZ-CE1 2.91Å; F84-F211 AromaticContact CZ-CZ 3.51Å; F84-F211 HydrophobicContact CZ-CZ 3.51Å
85E41.9Very low46.3Very low160 Ų16087.1 Ų87.175%0.74849%0.491SS*.SBendtrans-98.7-28.2165.4-80.9-172.1152.900114.7
86T39.7Very low45.1Very low142 Ų14296.1 Ų96.187%0.87152%0.518SS*.SBendtrans-153.956.3-170.157.80000114.8
87G32.9Very low43.5Very low26 Ų2698 Ų9827%0.26853%0.531SS..  trans-112.7151.9174.100000112.9G89 C90G87-G89 PolarHBondContact O-N 3.09Å; G87-C90 PolarHBondContact N-SG 2.82Å; G87-C90 VanDerWaalsContact O-CB 3.28Å; G87-C90 WeakPolarHBondContact O-CB 3.41Å; G87-C90 PolarHBondContact O-N 3.44Å; G87-C90 PolarHBondContact O-SG 3.03Å
88I33.9Very low41.9Very low105 Ų10596.2 Ų96.254%0.53854%0.535SS..THydrogen-bonded Turntrans-62.3119.4166.9-61.5170.9000106.5
89G32.6Very low40.2Very low62 Ų6299.3 Ų99.364%0.63955%0.554SS**THydrogen-bonded Turntrans107-4.2-165.900000114.7G87G87-G89 PolarHBondContact O-N 3.09Å
90C31.1Very low38.7Very low47 Ų47104.1 Ų104.132%0.31858%0.577SS.*  trans-93.7103.9165.6-57.10000108.5G87 A92G87-C90 PolarHBondContact N-SG 2.82Å; G87-C90 VanDerWaalsContact O-CB 3.28Å; G87-C90 WeakPolarHBondContact O-CB 3.41Å; G87-C90 PolarHBondContact O-N 3.44Å; G87-C90 PolarHBondContact O-SG 3.03Å; C90-A92 PolarHBondContact O-N 3.36Å
91I31.6Very low37.3Very low133 Ų133110.1 Ų110.168%0.68260%0.604SS**  trans-70.4101.8169.2-51.1177.5000106.3K93I91-K93 PolarHBondContact O-N 2.91Å; I91-K93 VanDerWaalsContact O-N 3.08Å
92A33.9Very low36Very low85 Ų85113.1 Ų113.170%0.70263%0.631SS**  trans-55.7118.9166.100000106.8C90 P94C90-A92 PolarHBondContact O-N 3.36Å; A92-P94 WeakPolarHBondContact O-CD 3.33Å
93K32.4Very low34.9Very low197 Ų197119.9 Ų119.986%0.85766%0.657SS**  trans-45.6119.7171.5-82.1-177.8177.5171.80107.3I91 D95I91-K93 PolarHBondContact O-N 2.91Å; I91-K93 VanDerWaalsContact O-N 3.08Å; K93-D95 PolarHBondContact O-N 3.49Å; K93-D95 VanDerWaalsContact O-N 3.12Å
94P34.7Very low33.7Very low101 Ų101125.3 Ų125.366%0.65669%0.691SS**  trans-58.8127.1178.922-30.1000106.9A92 R96A92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-R96 PolarHBondContact O-N 2.87Å
95D30.8Very low32.9Very low123 Ų123131.7 Ų131.766%0.65872%0.719SS**  trans-48.2135.5169.6-163.6-5.4000107.3K93 N97 A98K93-D95 PolarHBondContact O-N 3.49Å; K93-D95 VanDerWaalsContact O-N 3.12Å; D95-N97 PolarHBondContact O-N 2.78Å; D95-A98 PolarHBondContact O-N 3.46Å
96R36.8Very low32.6Very low245 Ų245132.7 Ų132.793%0.92572%0.724SS**THydrogen-bonded Turntrans-62.58.2-171.2-82-175171-176.7-2.6114.2P94P94-R96 PolarHBondContact O-N 2.87Å
97N31.7Very low32.2Very low141 Ų141131.7 Ų131.775%0.75472%0.719SS**THydrogen-bonded Turntrans-121.96.6-179.9-63.8-23.9000113.7D95 V99D95-N97 PolarHBondContact O-N 2.78Å; N97-V99 PolarHBondContact O-N 2.9Å
98A33Very low32.3Very low65 Ų65137.1 Ų137.154%0.53775%0.747SS.*  trans-84.7104.5175.500000110.6D95 E100D95-A98 PolarHBondContact O-N 3.46Å; A98-E100 PolarHBondContact O-N 2.71Å
99V28.2Very low32.6Very low133 Ų133139.7 Ų139.781%0.80676%0.761SS**  trans-79107.7173.2174.90000108.2N97N97-V99 PolarHBondContact O-N 2.9Å
100E33.2Very low32.8Very low172 Ų172141.5 Ų141.580%0.80476%0.762SS**  trans-85.7129.6164.8-75.5-168.2162.700110A98 C102A98-E100 PolarHBondContact O-N 2.71Å; E100-C102 PolarHBondContact O-N 2.94Å
101L27Very low32.8Very low170 Ų170147.6 Ų147.689%0.8979%0.786SS**  trans-75.799.7173-71.6163.8000108.3E103L101-E103 PolarHBondContact O-N 2.95Å
102C29.7Very low32.9Very low115 Ų115148.1 Ų148.178%0.77780%0.795SS**  trans-75.1113.9168.9-58.60000109.8E100E100-C102 PolarHBondContact O-N 2.94Å
103E32.6Very low33.1Very low198 Ų198152.5 Ų152.593%0.92580%0.801SS**  trans-75.2127.3159-80.8-168.4161.900109.7L101L101-E103 PolarHBondContact O-N 2.95Å
104T26.7Very low32.9Very low134 Ų134148.1 Ų148.182%0.82280%0.801SS**  trans-84131.7-171-6.40000109.7
105K36.3Very low33.3Very low212 Ų212148.4 Ų148.492%0.92280%0.801SS**  trans-160140.9145.2-105.8160.2-169.4-177.30111.1
106E36.3Very low33.3Very low181 Ų181151.8 Ų151.885%0.84681%0.813SS**  trans-67.1159.1-151.1-70.8-173.4133.900118
107P30.8Very low33.3Very low120 Ų120149.2 Ų149.278%0.77981%0.809SS**  trans-91.5132.3173.635.6-27.9000111.6
108V36.1Very low33.5Very low141 Ų141146.7 Ų146.786%0.85581%0.808SS**  trans-134.2108.1160.7-174.80000109.1
109L38.3Very low33.4Very low158 Ų158153 Ų15383%0.82783%0.826SS**  trans-107.4158.8159-95.7163.7000106.1
110P36.7Very low33.8Very low101 Ų101152.9 Ų152.966%0.65683%0.826SS**  -157.3169.555.539.2-15.8000119.3
111Q31.1Very low33.8Very low175 Ų175154 Ų15482%0.81883%0.831SS**  trans55.5114.3140.1-71.11699.900120.5
112T35Very low34.4Very low144 Ų144150.5 Ų150.588%0.88382%0.821SS**  trans-144.6145140.3-44.50000111
113E37.1Very low34.8Very low176 Ų176153.3 Ų153.382%0.82283%0.828SS**  trans-72.8155.7-156.8-63.9162153.600116.3
114A29.2Very low35.1Very low105 Ų105150.7 Ų150.787%0.86882%0.82SS**  trans-70.9129.6170.200000110.7
115V42.8Very low35.6Very low108 Ų108149.3 Ų149.366%0.65581%0.807SS**  trans-120.2115166.3-175.50000108.5F117V115-F117 HydrophobicContact CB-CD2 4.48Å; V115-F117 HydrophobicContact CB-CE2 4.24Å; V115-F117 HydrophobicContact CG1-CD2 3.78Å; V115-F117 HydrophobicContact CG1-CE2 3.38Å; V115-F117 HydrophobicContact CG1-CZ 4.11Å
116E30.9Very low35.8Very low194 Ų194144.5 Ų144.591%0.90780%0.798SS**  trans-68.5124.7171.3-169.7176.3-160.200109.1
117F36.8Very low36.1Very low190 Ų190142.6 Ų142.683%0.83379%0.793SS**  trans-123.1133.6170.9-88.2-78.5000110.9V115V115-F117 HydrophobicContact CB-CD2 4.48Å; V115-F117 HydrophobicContact CB-CE2 4.24Å; V115-F117 HydrophobicContact CG1-CD2 3.78Å; V115-F117 HydrophobicContact CG1-CE2 3.38Å; V115-F117 HydrophobicContact CG1-CZ 4.11Å
118A36.5Very low36.6Very low89 Ų89143.2 Ų143.274%0.73679%0.789SS**  trans-70152.3-170.400000114T120A118-T120 PolarHBondContact O-N 3.34Å
119E30.8Very low36.8Very low197 Ų197144.3 Ų144.392%0.92179%0.785SS**  trans-51.8123.3173.6-59.9176.9160.900111.1
120T37.1Very low36.7Very low130 Ų130142 Ų14280%0.79878%0.781SS**  trans-141.6114.4163.6-43.90000109.6A118 S122A118-T120 PolarHBondContact O-N 3.34Å; T120-S122 PolarHBondContact O-N 2.99Å
121E31.9Very low36.6Very low196 Ų196145.7 Ų145.792%0.91679%0.789SS**  trans-52.9117.6172-59.1176.3148.600110.4
122S39.2Very low36.8Very low97 Ų97141.3 Ų141.368%0.67878%0.783SS**  trans-151.1122.9157.9790000112.1T120 L124T120-S122 PolarHBondContact O-N 2.99Å; S122-L124 PolarHBondContact O-N 3.26Å
123N38.3Very low37Very low174 Ų174142 Ų14293%0.9377%0.774SS**  trans-7373.9-178.9-83.6-68.1000112
124L38.7Very low37.2Very low143 Ų143139 Ų13975%0.74977%0.768SS**  trans-134.3116.3171.6-79.6162.2000110.6S122S122-L124 PolarHBondContact O-N 3.26Å
125N38.9Very low37.7Very low104 Ų104139.6 Ų139.656%0.55676%0.761SS**  trans-59.3118.1-176.6-156.8-6.3000110.3L127 N128N125-L127 PolarHBondContact O-N 3.4Å; N125-N128 PolarHBondContact O-N 2.97Å
126P40.2Very low37.6Very low112 Ų112140.9 Ų140.973%0.72776%0.764SS**THydrogen-bonded Turntrans-69.9-0.5-172.126.2-32.6000114.3
127L43Very low38.3Very low140 Ų140137.4 Ų137.473%0.73375%0.75SS**THydrogen-bonded Turntrans-85.9-10.3179.1-81.2153.3000114.7N125N125-L127 PolarHBondContact O-N 3.4Å
128N41Very low38.7Very low133 Ų133136.6 Ų136.671%0.71175%0.746SS**SBendtrans-96.63.9-172.9-83.6-12.6000115.7N125N125-N128 PolarHBondContact O-N 2.97Å
129H40.3Very low39.2Very low164 Ų164138.9 Ų138.976%0.75974%0.742SS**  trans-127.115.9-175.7-74.772.7000114.9E131H129-E131 VanDerWaalsContact C-N 3.29Å; H129-E131 PolarHBondContact O-N 2.74Å
130C34.6Very low39.9Very low109 Ų109137.5 Ų137.574%0.73674%0.74SS**  trans-81.873.4173.4-76.20000111.5A132C130-A132 PolarHBondContact O-N 2.75Å
131E35Very low40.2Very low180 Ų180136.8 Ų136.884%0.84173%0.726SS**  trans-75.868.8158.7-78-173.515600109.6H129H129-E131 VanDerWaalsContact C-N 3.29Å; H129-E131 PolarHBondContact O-N 2.74Å
132A35.6Very low40.7Very low83 Ų83137.2 Ų137.269%0.68672%0.724SS**  trans-151.865.1167.300000108.4C130 V134C130-A132 PolarHBondContact O-N 2.75Å; A132-V134 PolarHBondContact O-N 2.73Å; A132-V134 VanDerWaalsContact O-N 3.16Å
133F38.7Very low40.7Very low159 Ų159139.3 Ų139.370%0.69773%0.728SS**  trans-68.3110.6169.121.1-89.8000107.8T135F133-T135 VanDerWaalsContact C-N 3.35Å; F133-T135 HydrophobicContact CB-CG2 4.35Å; F133-T135 HydrophobicContact CD2-CG2 3.87Å; F133-T135 PolarHBondContact O-N 2.73Å
134V42.5Very low40.7Very low113 Ų113135.4 Ų135.469%0.68571%0.713SS**  trans-63.297.8167-177.30000107.2A132 I137A132-V134 PolarHBondContact O-N 2.73Å; A132-V134 VanDerWaalsContact O-N 3.16Å; V134-I137 HydrophobicContact CB-CG1 4.4Å; V134-I137 HydrophobicContact CG1-CD1 4.24Å; V134-I137 HydrophobicContact CG1-CG1 3.58Å
135T40Very low40.6Very low117 Ų117131.6 Ų131.672%0.71870%0.696SS**  trans-89.9-8.9-177.544.40000113.5F133F133-T135 VanDerWaalsContact C-N 3.35Å; F133-T135 HydrophobicContact CB-CG2 4.35Å; F133-T135 HydrophobicContact CD2-CG2 3.87Å; F133-T135 PolarHBondContact O-N 2.73Å
136D40.6Very low40.8Very low134 Ų134133.2 Ų133.272%0.71771%0.71SS**  trans-122.546.3-167.8-123.9-2.1000112.7K138D136-K138 PolarHBondContact O-N 2.93Å; D136-K138 VanDerWaalsContact O-N 3.15Å
137I44.7Very low40.8Very low122 Ų122135.5 Ų135.563%0.62671%0.714SS**  trans-74.6102.7174.9-53.8179000109.3V134 Q139V134-I137 HydrophobicContact CB-CG1 4.4Å; V134-I137 HydrophobicContact CG1-CD1 4.24Å; V134-I137 HydrophobicContact CG1-CG1 3.58Å; I137-Q139 HydrophobicContact CG2-CG 3.99Å; I137-Q139 PolarHBondContact O-N 2.82Å
138K46.1Very low40.6Very low172 Ų172135.7 Ų135.775%0.74871%0.713SS**  trans-87.8100.1168.6-69.5-178.1-177.9171.90110D136 L140D136-K138 PolarHBondContact O-N 2.93Å; D136-K138 VanDerWaalsContact O-N 3.15Å; K138-L140 PolarHBondContact O-N 3.32Å
139Q45.5Very low40.4Very low137 Ų137138.2 Ų138.264%0.6472%0.72SS**  trans-78.7117.4170.7-65.4-179.1-24.700109.8I137 F141I137-Q139 HydrophobicContact CG2-CG 3.99Å; I137-Q139 PolarHBondContact O-N 2.82Å; Q139-F141 HydrophobicContact CB-CD2 4.47Å; Q139-F141 HydrophobicContact CB-CE2 3.78Å; Q139-F141 HydrophobicContact CB-CZ 4.22Å
140L46.6Very low40.2Very low168 Ų168136.6 Ų136.688%0.8872%0.717SS**  trans-113110.1171.8-93133.6000108.7K138K138-L140 PolarHBondContact O-N 3.32Å
141F42.5Very low40.6Very low115 Ų115136.3 Ų136.350%0.50472%0.716SS.*  trans-93.4120.9175.2-61.7-84.8000110.1Q139 N143 P144Q139-F141 HydrophobicContact CB-CD2 4.47Å; Q139-F141 HydrophobicContact CB-CE2 3.78Å; Q139-F141 HydrophobicContact CB-CZ 4.22Å; F141-N143 VanDerWaalsContact C-N 3.29Å; F141-P144 HydrophobicContact CB-CB 3.76Å; F141-P144 HydrophobicContact CB-CG 4.42Å; F141-P144 HydrophobicContact CD2-CB 4.41Å; F141-P144 HydrophobicContact CG-CB 4.04Å
142K42.3Very low40.9Very low205 Ų205131.7 Ų131.789%0.89171%0.709SS**SBendtrans-68.7-33169.2-169175.6179.1-178.30111.3
143N39.6Very low41.1Very low141 Ų141131.9 Ų131.975%0.75471%0.711SS**SBendtrans-142.298.9169.6-67.5-50.4000107.6F141F141-N143 VanDerWaalsContact C-N 3.29Å
144P38.1Very low41Very low93 Ų93128 Ų12860%0.60472%0.715SS**  trans-66133.7-178.224.3-30.9000110.3F141F141-P144 HydrophobicContact CB-CB 3.76Å; F141-P144 HydrophobicContact CB-CG 4.42Å; F141-P144 HydrophobicContact CD2-CB 4.41Å; F141-P144 HydrophobicContact CG-CB 4.04Å
145P37.7Very low40.8Very low63 Ų63129.4 Ų129.441%0.40971%0.714SS.*  trans-60.8146.5172.924.2-30.2000109.7I147P145-I147 PolarHBondContact O-N 2.99Å
146V42.8Very low40.8Very low138 Ų138131.8 Ų131.884%0.83672%0.722SS**  trans-64.2103.7171.8179.20000106.9M148V146-M148 PolarHBondContact O-N 3.4Å
147I40Very low40.9Very low160 Ų160131.8 Ų131.882%0.82172%0.716SS**  trans-61.5100.4-179.9-55.5173.1000108P145P145-I147 PolarHBondContact O-N 2.99Å
148M38.7Very low40.9Very low144 Ų144132.1 Ų132.171%0.70972%0.719SS**  trans-78.7148.1162.5-83.6-168.5-59.500109.3V146 A242V146-M148 PolarHBondContact O-N 3.4Å; M148-A242 HydrophobicContact CE-CB 3.96Å
149H35.9Very low40.9Very low185 Ų185129.6 Ų129.686%0.85671%0.714SS**  trans-33.9133.4-169.2-87.1-83000116S151H149-S151 PolarHBondContact O-N 2.88Å
150D37.4Very low40.9Very low130 Ų130126.4 Ų126.470%0.69570%0.701SS**  trans-54.897.2176.4-168.53.6000112.1A152D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 WeakPolarHBondContact OD1-CB 3.34Å; D150-A152 PolarHBondContact OD1-N 2.76Å
151S42.6Very low40.9Very low104 Ų104123.2 Ų123.273%0.72769%0.69SS**THydrogen-bonded Turntrans-75.75.4171.7-63.10000112.8H149 A153H149-S151 PolarHBondContact O-N 2.88Å; S151-A153 PolarHBondContact O-N 2.84Å; S151-A153 VanDerWaalsContact O-N 3.12Å
152A40.3Very low41Very low83 Ų83123.9 Ų123.969%0.68669%0.693SS**THydrogen-bonded Turntrans-73.27.317500000113.8D150 G154D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 WeakPolarHBondContact OD1-CB 3.34Å; D150-A152 PolarHBondContact OD1-N 2.76Å; A152-G154 PolarHBondContact O-N 2.86Å
153A40.6Very low41.2Very low87 Ų87122 Ų12272%0.71968%0.681SS**SBendtrans-75.359.6168.500000112.2S151 Q155S151-A153 PolarHBondContact O-N 2.84Å; S151-A153 VanDerWaalsContact O-N 3.12Å; A153-Q155 PolarHBondContact O-N 2.79Å
154G35.8Very low41.4Very low77 Ų77121.1 Ų121.179%0.79468%0.676SS**  trans44.826.415000000120A152A152-G154 PolarHBondContact O-N 2.86Å
155Q39.5Very low41.7Very low143 Ų143121.2 Ų121.267%0.66867%0.671SS**  trans-97.5103.7176.1-154.5168.431.400108.2A153 F157A153-Q155 PolarHBondContact O-N 2.79Å; Q155-F157 HydrophobicContact CB-CD2 4.42Å; Q155-F157 HydrophobicContact CB-CE2 3.95Å; Q155-F157 HydrophobicContact CB-CZ 4.47Å; Q155-F157 HydrophobicContact CG-CE2 4.33Å; Q155-F157 HydrophobicContact CG-CZ 4.41Å; Q155-F157 WeakPolarHBondContact O-CD2 2.99Å; Q155-F157 PolarHBondContact O-N 2.59Å
156D38.9Very low41.8Very low166 Ų166122.9 Ų122.989%0.88868%0.676SS**  trans-57.997.9171.6-74.4-40.3000108.9D158D156-D158 PolarHBondContact O-N 2.97Å
157F43.3Very low42.2Very low134 Ų134123.2 Ų123.259%0.58867%0.673SS**  trans-84.2109.3166.2-70.3-84.7000107.3Q155 L159Q155-F157 HydrophobicContact CB-CD2 4.42Å; Q155-F157 HydrophobicContact CB-CE2 3.95Å; Q155-F157 HydrophobicContact CB-CZ 4.47Å; Q155-F157 HydrophobicContact CG-CE2 4.33Å; Q155-F157 HydrophobicContact CG-CZ 4.41Å; Q155-F157 WeakPolarHBondContact O-CD2 2.99Å; Q155-F157 PolarHBondContact O-N 2.59Å; F157-L159 HydrophobicContact CB-CD1 4.16Å; F157-L159 HydrophobicContact CB-CD2 4.2Å; F157-L159 HydrophobicContact CB-CG 3.74Å; F157-L159 PolarHBondContact O-N 3.24Å
158D44.7Very low42.5Very low129 Ų129119.6 Ų119.669%0.6966%0.662SS**  trans-69.773.9169.8-156.86.2000108.2D156 D160 R163D156-D158 PolarHBondContact O-N 2.97Å; D158-D160 VanDerWaalsContact C-N 3.27Å; D158-D160 PolarHBondContact O-N 3.33Å; D158-R163 IonicContact OD2-CZ 3.86Å; D158-R163 IonicContact OD2-NH1 2.69Å; D158-R163 PolarHBondContact OD2-NH1 3.21Å
159L46.4Very low42.3Very low120 Ų120118.3 Ų118.363%0.62866%0.658SS**  trans-80.871.9-177.6-69.2169.4000109.4F157 P161F157-L159 HydrophobicContact CB-CD1 4.16Å; F157-L159 HydrophobicContact CB-CD2 4.2Å; F157-L159 HydrophobicContact CB-CG 3.74Å; F157-L159 PolarHBondContact O-N 3.24Å; L159-P161 VanDerWaalsContact O-CD 3.22Å; L159-P161 WeakPolarHBondContact O-CD 3.13Å
160D45.7Very low42.3Very low70 Ų70113.2 Ų113.237%0.37466%0.655SS.*  trans-86.6105155.8175.64000107.7D158 F162 R163D158-D160 VanDerWaalsContact C-N 3.27Å; D158-D160 PolarHBondContact O-N 3.33Å; D160-F162 PolarHBondContact O-N 3.3Å; D160-F162 WeakPolarHBondContact OD1-CB 3.45Å; D160-F162 PolarHBondContact OD1-N 3.48Å; D160-R163 HydrophobicContact CB-CB 3.82Å; D160-R163 HydrophobicContact CB-CG 4.15Å; D160-R163 PolarHBondContact O-N 2.99Å; D160-R163 VanDerWaalsContact O-N 3.15Å; D160-R163 WeakPolarHBondContact OD2-CG 3.12Å
161P46.7Very low42.3Very low101 Ų101115.4 Ų115.466%0.65665%0.654SS**THydrogen-bonded Turntrans-63.5-6.7-177.325.7-32.4000113.3L159L159-P161 VanDerWaalsContact O-CD 3.22Å; L159-P161 WeakPolarHBondContact O-CD 3.13Å
162F44.7Very low42Very low129 Ų129115 Ų11557%0.56665%0.65SS**THydrogen-bonded Turntrans-111-10.3179.9-55.6-73.1000114.1D160 D164 L165D160-F162 PolarHBondContact O-N 3.3Å; D160-F162 WeakPolarHBondContact OD1-CB 3.45Å; D160-F162 PolarHBondContact OD1-N 3.48Å; F162-D164 VanDerWaalsContact C-N 3.34Å; F162-D164 PolarHBondContact O-N 3.22Å; F162-L165 WeakPolarHBondContact O-CB 3.36Å; F162-L165 PolarHBondContact O-N 2.86Å
163R46.6Very low42.1Very low165 Ų165114.4 Ų114.462%0.62364%0.641SS**THydrogen-bonded Turntrans-68.3-32.2-171.9-127.1176174.5-171.25.1114.1D158 D160D158-R163 IonicContact OD2-CZ 3.86Å; D158-R163 IonicContact OD2-NH1 2.69Å; D158-R163 PolarHBondContact OD2-NH1 3.21Å; D160-R163 HydrophobicContact CB-CB 3.82Å; D160-R163 HydrophobicContact CB-CG 4.15Å; D160-R163 PolarHBondContact O-N 2.99Å; D160-R163 VanDerWaalsContact O-N 3.15Å; D160-R163 WeakPolarHBondContact OD2-CG 3.12Å
164D42.2Very low42.6Very low123 Ų123118.4 Ų118.466%0.65864%0.638SS**THydrogen-bonded Turntrans-104.325.2177.5-65.4-23.4000112.1F162 D166F162-D164 VanDerWaalsContact C-N 3.34Å; F162-D164 PolarHBondContact O-N 3.22Å; D164-D166 PolarHBondContact O-N 3.38Å
165L44.8Very low43.7Very low94 Ų94115 Ų11549%0.49260%0.601SS.*  trans-73.869.3173.9-161.877.3000109.4F162 L167F162-L165 WeakPolarHBondContact O-CB 3.36Å; F162-L165 PolarHBondContact O-N 2.86Å; L165-L167 HydrophobicContact CD1-CD2 4.41Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.86Å; L165-L167 HydrophobicContact CD2-CG 4.24Å; L165-L167 HydrophobicContact CG-CD2 3.76Å; L165-L167 HydrophobicContact CG-CG 4.16Å; L165-L167 PolarHBondContact O-N 2.72Å
166D40.4Very low44.7Very low99 Ų99109.6 Ų109.653%0.52958%0.578SS.*  trans-72.798.5168.6-166.2-4.8000108.9D164 S168D164-D166 PolarHBondContact O-N 3.38Å; D166-S168 PolarHBondContact O-N 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 3.03Å; D166-S168 VanDerWaalsContact OD1-N 3.07Å; D166-S168 PolarHBondContact OD1-OG 3.35Å; D166-S168 PolarHBondContact OD2-OG 3.27Å
167L50.1Low45.8Very low145 Ų145104.1 Ų104.176%0.75955%0.547SS*.THydrogen-bonded Turntrans-76-1.5178.5-62.9175.2000112.6L165L165-L167 HydrophobicContact CD1-CD2 4.41Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.86Å; L165-L167 HydrophobicContact CD2-CG 4.24Å; L165-L167 HydrophobicContact CG-CD2 3.76Å; L165-L167 HydrophobicContact CG-CG 4.16Å; L165-L167 PolarHBondContact O-N 2.72Å
168S46.6Very low46.6Very low84 Ų84104 Ų10459%0.58755%0.552SS**THydrogen-bonded Turntrans-80.8-18.5-16667.10000115.3D166D166-S168 PolarHBondContact O-N 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 3.03Å; D166-S168 VanDerWaalsContact OD1-N 3.07Å; D166-S168 PolarHBondContact OD1-OG 3.35Å; D166-S168 PolarHBondContact OD2-OG 3.27Å
169D35.2Very low47.4Very low117 Ų11799.4 Ų99.463%0.62653%0.528SS*.SBendtrans-111.851.8-169.2-87.2-16.2000115.5W171D169-W171 PolarHBondContact O-N 3.14Å; D169-W171 PolarHBondContact O-NE1 3.24Å
170G36.4Very low48.1Very low78 Ų7894.1 Ų94.180%0.80450%0.5SS*.  trans5132.9157.700000116.9S172G170-S172 PolarHBondContact O-N 2.78Å
171W36.3Very low48.7Very low176 Ų17693.2 Ų93.267%0.66750%0.499SS*.  trans-69.6103.5-173.3-66.863.5000108.1D169 S173D169-W171 PolarHBondContact O-N 3.14Å; D169-W171 PolarHBondContact O-NE1 3.24Å; W171-S173 PolarHBondContact O-N 2.8Å
172S36.9Very low48.9Very low94 Ų9495.6 Ų95.666%0.65751%0.506SS*.  trans-57.686.1161.8153.30000107.5G170 R174G170-S172 PolarHBondContact O-N 2.78Å; S172-R174 PolarHBondContact O-N 3.48Å
173S43.4Very low49.2Very low71 Ų7192.9 Ų92.950%0.49752%0.515SS..  trans-61.280.3160.965.30000106.2W171 F175W171-S173 PolarHBondContact O-N 2.8Å; S173-F175 PolarHBondContact O-N 2.81Å
174R50.6Low49.5Very low171 Ų17187.2 Ų87.265%0.64550%0.503SS*.  trans-66.894.8169.8-101.2-161.8-111-179.81.5105S172S172-R174 PolarHBondContact O-N 3.48Å
175F58.4Low49.6Very low6 Ų688.3 Ų88.33%0.02651%0.514CS..  trans-49.9125176-172.1-78.6000106.8S173 F177 L179 F180 V222 L233 M268S173-F175 PolarHBondContact O-N 2.81Å; F175-F177 HydrophobicContact CB-CE1 4.39Å; F175-F177 HydrophobicContact CB-CE2 4.45Å; F175-F177 HydrophobicContact CB-CZ 4.21Å; F175-F177 HydrophobicContact CD1-CD1 4.07Å; F175-F177 HydrophobicContact CD1-CE1 4.29Å; F175-F177 HydrophobicContact CD1-CG 4.48Å; F175-F177 WeakPolarHBondContact O-CD2 3.42Å; F175-F177 WeakPolarHBondContact O-CE2 3.5Å; F175-F177 PolarHBondContact O-N 2.77Å; F175-L179 HydrophobicContact CE1-CD1 4.45Å; F175-L179 HydrophobicContact CZ-CD1 4.45Å; F175-F180 HydrophobicContact CD1-CE2 4.15Å; F175-F180 AromaticContact CE1-CD2 3.84Å; F175-F180 HydrophobicContact CE1-CD2 3.84Å; F175-F180 AromaticContact CE1-CE2 3.08Å; F175-F180 HydrophobicContact CE1-CE2 3.08Å; F175-F180 AromaticContact CE1-CZ 3.72Å; F175-F180 HydrophobicContact CE1-CZ 3.72Å; F175-F180 AromaticContact CZ-CE2 3.38Å; F175-F180 HydrophobicContact CZ-CE2 3.38Å; F175-F180 AromaticContact CZ-CZ 3.56Å; F175-F180 HydrophobicContact CZ-CZ 3.56Å; F175-V222 HydrophobicContact CB-CB 4.47Å; F175-V222 HydrophobicContact CB-CG2 3.69Å; F175-V222 HydrophobicContact CD1-CB 4.25Å; F175-V222 HydrophobicContact CD1-CG2 3.51Å; F175-V222 HydrophobicContact CD2-CB 3.52Å; F175-V222 HydrophobicContact CD2-CG1 4.09Å; F175-V222 HydrophobicContact CD2-CG2 3.58Å; F175-V222 HydrophobicContact CE1-CB 4.47Å; F175-V222 HydrophobicContact CE1-CG1 4.26Å; F175-V222 HydrophobicContact CE1-CG2 4.06Å; F175-V222 HydrophobicContact CE2-CB 3.72Å; F175-V222 HydrophobicContact CE2-CG1 3.76Å; F175-V222 HydrophobicContact CE2-CG2 4.07Å; F175-V222 HydrophobicContact CG-CB 3.8Å; F175-V222 HydrophobicContact CG-CG1 4.44Å; F175-V222 HydrophobicContact CG-CG2 3.26Å; F175-V222 HydrophobicContact CZ-CB 4.2Å; F175-V222 HydrophobicContact CZ-CG1 3.85Å; F175-V222 HydrophobicContact CZ-CG2 4.29Å; F175-L233 HydrophobicContact CD2-CB 4.41Å; F175-L233 HydrophobicContact CE2-CB 3.83Å; F175-L233 HydrophobicContact CE2-CD1 4.35Å; F175-M268 HydrophobicContact CE1-SD 4.49Å; F175-M268 HydrophobicContact CE2-SD 3.54Å; F175-M268 VanDerWaalsContact CE2-SD 3.54Å; F175-M268 HydrophobicContact CZ-SD 3.37Å; F175-M268 WeakPolarHBondContact CZ-SD 3.43Å
176P60.9Low49.8Very low29 Ų2987.8 Ų87.819%0.18852%0.519CS..  trans-71.484.3-177.324.1-27.8000108.6N178 L179P176-N178 PolarHBondContact O-N 2.96Å; P176-L179 HydrophobicContact CB-CD1 4.46Å; P176-L179 HydrophobicContact CB-CG 4.16Å; P176-L179 HydrophobicContact CG-CD1 3.64Å; P176-L179 HydrophobicContact CG-CG 3.88Å; P176-L179 WeakPolarHBondContact O-CB 3.11Å; P176-L179 VanDerWaalsContact O-CG 3.29Å; P176-L179 WeakPolarHBondContact O-CG 3.43Å; P176-L179 PolarHBondContact O-N 2.91Å
177F61.5Low50.1Low51 Ų5185.7 Ų85.722%0.22452%0.52CS..G310 helixtrans-58.1-18.6-178.3-65.1-72.3000113.4F175 L179 F180 L216 Q220 V222F175-F177 HydrophobicContact CB-CE1 4.39Å; F175-F177 HydrophobicContact CB-CE2 4.45Å; F175-F177 HydrophobicContact CB-CZ 4.21Å; F175-F177 HydrophobicContact CD1-CD1 4.07Å; F175-F177 HydrophobicContact CD1-CE1 4.29Å; F175-F177 HydrophobicContact CD1-CG 4.48Å; F175-F177 WeakPolarHBondContact O-CD2 3.42Å; F175-F177 WeakPolarHBondContact O-CE2 3.5Å; F175-F177 PolarHBondContact O-N 2.77Å; F177-L179 PolarHBondContact O-N 3.23Å; F177-F180 PolarHBondContact O-N 2.89Å; F177-L216 HydrophobicContact CD1-CD2 3.46Å; F177-L216 VanDerWaalsContact CD1-CD2 3.46Å; F177-L216 HydrophobicContact CD1-CG 4.08Å; F177-L216 HydrophobicContact CE1-CD2 3.77Å; F177-L216 HydrophobicContact CE1-CG 3.99Å; F177-Q220 HydrophobicContact CE2-CB 4.11Å; F177-Q220 HydrophobicContact CE2-CG 4.32Å; F177-Q220 HydrophobicContact CZ-CB 3.8Å; F177-Q220 HydrophobicContact CZ-CG 4.29Å; F177-Q220 WeakPolarHBondContact CZ-O 3.46Å; F177-V222 HydrophobicContact CD1-CG2 4.34Å; F177-V222 HydrophobicContact CE1-CG2 3.59Å; F177-V222 HydrophobicContact CZ-CG2 4.23Å
178N61.3Low50.4Low131 Ų13181.9 Ų81.970%0.70150%0.496SS*.G310 helixtrans-62.6-19.3170.9-59.9-13.1000112.3P176 F180 S181 R188P176-N178 PolarHBondContact O-N 2.96Å; N178-F180 PolarHBondContact O-N 3.07Å; N178-F180 VanDerWaalsContact O-N 3.14Å; N178-S181 PolarHBondContact O-N 3.07Å; N178-S181 PolarHBondContact O-OG 2.54Å; N178-R188 PolarHBondContact O-NH2 2.87Å
179L60.5Low50.7Low34 Ų3482.4 Ų82.418%0.17849%0.491CS..G310 helixtrans-62.8-9.9167.9-71.3-175.6000113.4F175 P176 F177 R188 M268F175-L179 HydrophobicContact CE1-CD1 4.45Å; F175-L179 HydrophobicContact CZ-CD1 4.45Å; P176-L179 HydrophobicContact CB-CD1 4.46Å; P176-L179 HydrophobicContact CB-CG 4.16Å; P176-L179 HydrophobicContact CG-CD1 3.64Å; P176-L179 HydrophobicContact CG-CG 3.88Å; P176-L179 WeakPolarHBondContact O-CB 3.11Å; P176-L179 VanDerWaalsContact O-CG 3.29Å; P176-L179 WeakPolarHBondContact O-CG 3.43Å; P176-L179 PolarHBondContact O-N 2.91Å; F177-L179 PolarHBondContact O-N 3.23Å; L179-R188 VanDerWaalsContact C-NH2 3.32Å; L179-R188 WeakPolarHBondContact O-CD 3.4Å; L179-R188 PolarHBondContact O-NE 3.35Å; L179-R188 PolarHBondContact O-NH1 3.06Å; L179-R188 PolarHBondContact O-NH2 3.37Å; L179-M268 HydrophobicContact CD1-CE 4.32Å; L179-M268 HydrophobicContact CD1-CG 4.45Å; L179-M268 HydrophobicContact CD1-SD 3.77Å
180F61.2Low51.6Low8 Ų880.9 Ų80.94%0.03548%0.479CS..G310 helixtrans-123.66.4177-53.3-58.9000113.9Y81 F175 F177 N178 F190 I214 L216 V222Y81-F180 HydrophobicContact CD1-CB 4.17Å; Y81-F180 HydrophobicContact CD2-CB 3.62Å; Y81-F180 HydrophobicContact CD2-CD1 4.11Å; Y81-F180 HydrophobicContact CD2-CD2 4.01Å; Y81-F180 AromaticContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CE1-CB 3.86Å; Y81-F180 WeakPolarHBondContact CE1-O 3.13Å; Y81-F180 HydrophobicContact CE2-CB 3.25Å; Y81-F180 AromaticContact CE2-CD2 3.97Å; Y81-F180 HydrophobicContact CE2-CD2 3.97Å; Y81-F180 AromaticContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CG-CB 4.06Å; Y81-F180 HydrophobicContact CG-CD1 4.31Å; Y81-F180 HydrophobicContact CG-CG 4.23Å; Y81-F180 PolarHBondContact OH-O 2.82Å; F175-F180 HydrophobicContact CD1-CE2 4.15Å; F175-F180 AromaticContact CE1-CD2 3.84Å; F175-F180 HydrophobicContact CE1-CD2 3.84Å; F175-F180 AromaticContact CE1-CE2 3.08Å; F175-F180 HydrophobicContact CE1-CE2 3.08Å; F175-F180 AromaticContact CE1-CZ 3.72Å; F175-F180 HydrophobicContact CE1-CZ 3.72Å; F175-F180 AromaticContact CZ-CE2 3.38Å; F175-F180 HydrophobicContact CZ-CE2 3.38Å; F175-F180 AromaticContact CZ-CZ 3.56Å; F175-F180 HydrophobicContact CZ-CZ 3.56Å; F177-F180 PolarHBondContact O-N 2.89Å; N178-F180 PolarHBondContact O-N 3.07Å; N178-F180 VanDerWaalsContact O-N 3.14Å; F180-F190 HydrophobicContact CE1-CE1 4.4Å; F180-F190 HydrophobicContact CE1-CZ 4.15Å; F180-I214 HydrophobicContact CE1-CD1 3.71Å; F180-I214 HydrophobicContact CE1-CG2 4.38Å; F180-I214 HydrophobicContact CE2-CG2 3.92Å; F180-I214 HydrophobicContact CZ-CB 4.36Å; F180-I214 HydrophobicContact CZ-CD1 3.73Å; F180-I214 HydrophobicContact CZ-CG2 3.64Å; F180-L216 HydrophobicContact CD2-CD1 4.13Å; F180-L216 HydrophobicContact CE2-CD1 4.28Å; F180-V222 HydrophobicContact CE2-CG1 4.24Å
181S57.4Low52.3Low51 Ų5183.2 Ų83.236%0.35748%0.478SS..  trans-77125.2175.756.60000111.6N178 G183 A184 R188N178-S181 PolarHBondContact O-N 3.07Å; N178-S181 PolarHBondContact O-OG 2.54Å; S181-G183 PolarHBondContact O-N 3.19Å; S181-A184 PolarHBondContact O-N 2.89Å; S181-R188 VanDerWaalsContact N-NH2 3.2Å; S181-R188 PolarHBondContact O-NH2 3.27Å
182D51.3Low53Low152 Ų15277.8 Ų77.881%0.81346%0.462SS*.THydrogen-bonded Turntrans-58.6-9.8177.5-85.3-7.7000115.1A184D182-A184 VanDerWaalsContact C-N 3.33Å
183G51.2Low53.5Low72 Ų7282.5 Ų82.574%0.74247%0.473SS*.THydrogen-bonded Turntrans-81.2-5.4178.600000115.2S181 T185S181-G183 PolarHBondContact O-N 3.19Å; G183-T185 PolarHBondContact O-N 3.02Å
184A52.6Low53.9Low46 Ų4680.3 Ų80.338%0.3846%0.456SS..  trans-76.5116.5176.700000109.5S181 D182 S186S181-A184 PolarHBondContact O-N 2.89Å; D182-A184 VanDerWaalsContact C-N 3.33Å; A184-S186 PolarHBondContact O-N 2.92Å
185T43.8Very low53.8Low145 Ų14575.8 Ų75.889%0.8945%0.449SS*.  trans-69.9-15.2175.8470000113.1G183G183-T185 PolarHBondContact O-N 3.02Å
186S50.2Low53.4Low84 Ų8482 Ų8259%0.58748%0.483SS*.SBendtrans-87.6125.6179.5-52.60000109.9A184A184-S186 PolarHBondContact O-N 2.92Å
187G47.2Very low53.2Low54 Ų5490.2 Ų90.256%0.55752%0.515SS*.  trans-55.1151.6169.600000111
188R56.1Low52.7Low66 Ų6690.7 Ų90.725%0.24952%0.52CS..  trans-113.1122.2-180-63.9168.8-176.9146.5-9.4108.6N178 L179 S181 F190N178-R188 PolarHBondContact O-NH2 2.87Å; L179-R188 VanDerWaalsContact C-NH2 3.32Å; L179-R188 WeakPolarHBondContact O-CD 3.4Å; L179-R188 PolarHBondContact O-NE 3.35Å; L179-R188 PolarHBondContact O-NH1 3.06Å; L179-R188 PolarHBondContact O-NH2 3.37Å; S181-R188 VanDerWaalsContact N-NH2 3.2Å; S181-R188 PolarHBondContact O-NH2 3.27Å; R188-F190 HydrophobicContact CB-CD2 4.29Å; R188-F190 HydrophobicContact CB-CE2 3.5Å; R188-F190 HydrophobicContact CB-CZ 3.75Å; R188-F190 HydrophobicContact CG-CZ 4.42Å
189L52.9Low52.3Low95 Ų9587.2 Ų87.250%0.49750%0.501SS..  trans-95.2126.8171.1-172.567.7000108.6V245L189-V245 HydrophobicContact CD2-CB 4.4Å; L189-V245 HydrophobicContact CD2-CG1 3.81Å; L189-V245 HydrophobicContact CD2-CG2 3.85Å
190F53.7Low51.8Low84 Ų8489.4 Ų89.437%0.36852%0.517SS..  trans-120.7124.2170.8-56.7-81.2000107.7F180 R188 M268F180-F190 HydrophobicContact CE1-CE1 4.4Å; F180-F190 HydrophobicContact CE1-CZ 4.15Å; R188-F190 HydrophobicContact CB-CD2 4.29Å; R188-F190 HydrophobicContact CB-CE2 3.5Å; R188-F190 HydrophobicContact CB-CZ 3.75Å; R188-F190 HydrophobicContact CG-CZ 4.42Å; F190-M268 HydrophobicContact CD1-CE 3.63Å; F190-M268 HydrophobicContact CE1-CE 3.46Å; F190-M268 VanDerWaalsContact CE1-CE 3.46Å
191T51Low51.4Low127 Ų12795.1 Ų95.178%0.77956%0.555SS**  trans-106.2133.1166.649.60000108.1
192L51.6Low51Low62 Ų6298.3 Ų98.333%0.32557%0.568SS.*  trans-124.4118.3174.1-173.373.2000108.5L194 F211 L224 V226 A270L192-L194 HydrophobicContact CD2-CD1 3.98Å; L192-L194 HydrophobicContact CD2-CD2 3.62Å; L192-L194 HydrophobicContact CD2-CG 3.63Å; L192-L194 HydrophobicContact CG-CD2 4.12Å; L192-L194 HydrophobicContact CG-CG 4Å; L192-F211 HydrophobicContact CB-CZ 4.05Å; L192-F211 HydrophobicContact CD2-CD2 4.41Å; L192-F211 HydrophobicContact CD2-CE2 3.24Å; L192-F211 HydrophobicContact CD2-CZ 3.33Å; L192-F211 HydrophobicContact CG-CZ 4.34Å; L192-L224 HydrophobicContact CD1-CD2 3.48Å; L192-L224 VanDerWaalsContact CD1-CD2 3.48Å; L192-L224 HydrophobicContact CD2-CD2 3.64Å; L192-L224 HydrophobicContact CG-CD2 4.24Å; L192-V226 HydrophobicContact CD2-CG2 4.41Å; L192-A270 HydrophobicContact CD1-CB 4.21Å
193Q47.7Very low50.7Low193 Ų19399 Ų9990%0.90257%0.571SS**  trans-91.7114165.8-71.8-177.8-8.700108
194L51.6Low50.2Low26 Ų26101.2 Ų101.214%0.13656%0.563CS.*  trans-98134.7174.4-73.3172.1000109L192 D196 L198 L199 I206 V226 F231L192-L194 HydrophobicContact CD2-CD1 3.98Å; L192-L194 HydrophobicContact CD2-CD2 3.62Å; L192-L194 HydrophobicContact CD2-CG 3.63Å; L192-L194 HydrophobicContact CG-CD2 4.12Å; L192-L194 HydrophobicContact CG-CG 4Å; L194-D196 PolarHBondContact O-N 2.81Å; L194-L198 HydrophobicContact CD2-CD1 4.41Å; L194-L199 HydrophobicContact CB-CD2 3.99Å; L194-L199 HydrophobicContact CD1-CD2 4.23Å; L194-I206 HydrophobicContact CD1-CD1 4.13Å; L194-V226 HydrophobicContact CD1-CG1 4.26Å; L194-V226 HydrophobicContact CD2-CG2 4.49Å; L194-F231 HydrophobicContact CD2-CZ 4.37Å
195P47.5Very low49.8Very low76 Ų76107.3 Ų107.349%0.49458%0.583SS.*  trans-54.4138.1166.8-23.931.6000110.9K197 L198P195-K197 PolarHBondContact O-N 3.26Å; P195-L198 HydrophobicContact CG-CD1 4.45Å; P195-L198 WeakPolarHBondContact O-CB 3.19Å; P195-L198 PolarHBondContact O-N 2.81Å
196D50.4Low50.1Low137 Ų137104.3 Ų104.373%0.73356%0.561SS**G310 helixtrans-51.2-31.6-177.4-57.7-23.7000113.5L194 L198 L199L194-D196 PolarHBondContact O-N 2.81Å; D196-L198 PolarHBondContact O-N 3.21Å; D196-L199 WeakPolarHBondContact O-CB 3.06Å; D196-L199 PolarHBondContact O-N 3.02Å
197K55.9Low49.8Very low200 Ų200107 Ų10787%0.8756%0.562SS**G310 helixtrans-64-18.2178-60.5-178.8-177.8179.10114.4P195P195-K197 PolarHBondContact O-N 3.26Å
198L51.5Low49.8Very low61 Ų61111 Ų11132%0.31957%0.566SS.*G310 helixtrans-99.8-7.7176.7-61.2-178.4000112.4L194 P195 D196 A229 F231L194-L198 HydrophobicContact CD2-CD1 4.41Å; P195-L198 HydrophobicContact CG-CD1 4.45Å; P195-L198 WeakPolarHBondContact O-CB 3.19Å; P195-L198 PolarHBondContact O-N 2.81Å; D196-L198 PolarHBondContact O-N 3.21Å; L198-A229 HydrophobicContact CD1-CB 4.42Å; L198-A229 HydrophobicContact CD2-CB 4.35Å; L198-F231 HydrophobicContact CD1-CE1 4.3Å; L198-F231 HydrophobicContact CD1-CE2 4.39Å; L198-F231 HydrophobicContact CD1-CZ 3.49Å; L198-F231 VanDerWaalsContact CD1-CZ 3.49Å
199L53.6Low49.4Very low59 Ų59109.2 Ų109.231%0.30957%0.568SS.*SBendtrans-75142.8170.1-55.8-180000108.3L194 D196 I206L194-L199 HydrophobicContact CB-CD2 3.99Å; L194-L199 HydrophobicContact CD1-CD2 4.23Å; D196-L199 WeakPolarHBondContact O-CB 3.06Å; D196-L199 PolarHBondContact O-N 3.02Å; L199-I206 HydrophobicContact CD2-CD1 3.49Å; L199-I206 VanDerWaalsContact CD2-CD1 3.49Å; L199-I206 HydrophobicContact CD2-CG1 3.88Å
200P48.8Very low49.7Very low80 Ų80110.4 Ų110.452%0.51957%0.574SS.*  trans-50.4143.3171.2-24.533.6000110.6D202P200-D202 CarbonylContact O-C 3.58Å; P200-D202 PolarHBondContact O-N 3.09Å
201P52.7Low50.3Low127 Ų127108.8 Ų108.883%0.82557%0.567SS**SBendtrans-62.6-18.1-175.924.9-34.1000113.4
202D49.3Very low51.2Low118 Ų118103.2 Ų103.263%0.63154%0.535SS*.SBendtrans-86.1114.5168.8-61.2-35.9000107.7P200 E204P200-D202 CarbonylContact O-C 3.58Å; P200-D202 PolarHBondContact O-N 3.09Å; D202-E204 PolarHBondContact O-N 3.23Å
203N44.4Very low52.2Low166 Ų166104.4 Ų104.489%0.88854%0.538SS*.  trans-56.222.8172.8-80-23.9000114.6Q205N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 2.89Å
204E42Very low53.6Low119 Ų11995.6 Ų95.656%0.55650%0.497SS*.  trans-58.1106.4159.7-65.6-152.6141.100106.4D202 I206 K207D202-E204 PolarHBondContact O-N 3.23Å; E204-I206 PolarHBondContact O-N 3.45Å; E204-I206 VanDerWaalsContact O-N 3.13Å; E204-K207 IonicContact OE1-NZ 2.91Å; E204-K207 PolarHBondContact OE1-NZ 2.71Å; E204-K207 WeakPolarHBondContact OE2-CE 3.47Å; E204-K207 IonicContact OE2-NZ 2.66Å; E204-K207 PolarHBondContact OE2-NZ 3.29Å
205Q43Very low54.8Low175 Ų17595 Ų9582%0.81849%0.493SS*.  trans-24.8123157.6-72.7170.2-18.200107.6N203 K207N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 2.89Å; Q205-K207 VanDerWaalsContact C-N 3.27Å; Q205-K207 WeakPolarHBondContact O-CA 3.34Å; Q205-K207 PolarHBondContact O-N 3.49Å
206I49.9Very low56.2Low82 Ų8292.1 Ų92.142%0.42147%0.473SS..  trans-44.6102.9175.9-59.3174.8000105.9L194 L199 E204 E208 F211L194-I206 HydrophobicContact CD1-CD1 4.13Å; L199-I206 HydrophobicContact CD2-CD1 3.49Å; L199-I206 VanDerWaalsContact CD2-CD1 3.49Å; L199-I206 HydrophobicContact CD2-CG1 3.88Å; E204-I206 PolarHBondContact O-N 3.45Å; E204-I206 VanDerWaalsContact O-N 3.13Å; I206-E208 PolarHBondContact O-N 2.95Å; I206-F211 HydrophobicContact CG2-CB 4.18Å; I206-F211 HydrophobicContact CG2-CD1 4.1Å; I206-F211 HydrophobicContact CG2-CG 4.48Å
207K45.1Very low57.5Low140 Ų14086 Ų8661%0.60944%0.441SS*.  trans-61.7131.4-173.7-81.7175.4175.8150.80104.8E204 Q205 G209E204-K207 IonicContact OE1-NZ 2.91Å; E204-K207 PolarHBondContact OE1-NZ 2.71Å; E204-K207 WeakPolarHBondContact OE2-CE 3.47Å; E204-K207 IonicContact OE2-NZ 2.66Å; E204-K207 PolarHBondContact OE2-NZ 3.29Å; Q205-K207 VanDerWaalsContact C-N 3.27Å; Q205-K207 WeakPolarHBondContact O-CA 3.34Å; Q205-K207 PolarHBondContact O-N 3.49Å; K207-G209 PolarHBondContact O-N 2.97Å; K207-G209 VanDerWaalsContact O-N 3.09Å
208E47.9Very low58.4Low139 Ų13979.9 Ų79.965%0.6542%0.418SS*.SBendtrans-44.7124.5175.2-70.2-178.5-17100109.2I206I206-E208 PolarHBondContact O-N 2.95Å
209G47Very low59.7Low28 Ų2879.9 Ų79.929%0.28942%0.418SS..SBendtrans150.9-176.5-173.400000112.9F84 K207 F211F84-G209 WeakPolarHBondContact CB-O 3.48Å; F84-G209 WeakPolarHBondContact CD2-O 3.46Å; F84-G209 WeakPolarHBondContact CG-O 3.27Å; K207-G209 PolarHBondContact O-N 2.97Å; K207-G209 VanDerWaalsContact O-N 3.09Å; G209-F211 PolarHBondContact O-N 3.15Å
210L58.9Low60.6Low119 Ų11980.8 Ų80.862%0.62342%0.421SS*.  trans-68.2100.8-175.8-176.560.8000111.4S82 I83 G212S82-L210 WeakPolarHBondContact OG-CD1 3.09Å; I83-L210 WeakPolarHBondContact O-CD1 3.16Å; L210-G212 WeakPolarHBondContact CD1-O 3.37Å
211F65.8Low61.9Low50 Ų5081.3 Ų81.322%0.21942%0.416CS..  trans-99.1-13.5173.174.8-115.8000113.9I83 F84 L192 I206 G209 V226I83-F211 HydrophobicContact CD1-CD2 4.48Å; I83-F211 HydrophobicContact CD1-CE2 3.78Å; I83-F211 HydrophobicContact CD1-CZ 3.84Å; F84-F211 AromaticContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CE1 4.04Å; F84-F211 HydrophobicContact CD2-CG 4.39Å; F84-F211 HydrophobicContact CE1-CD1 4.45Å; F84-F211 AromaticContact CE1-CE1 3.99Å; F84-F211 HydrophobicContact CE1-CE1 3.99Å; F84-F211 AromaticContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD2 4.32Å; F84-F211 AromaticContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE2 4.13Å; F84-F211 AromaticContact CE2-CG 3.8Å; F84-F211 HydrophobicContact CE2-CG 3.8Å; F84-F211 AromaticContact CE2-CZ 3.46Å; F84-F211 HydrophobicContact CE2-CZ 3.46Å; F84-F211 VanDerWaalsContact CE2-CZ 3.46Å; F84-F211 AromaticContact CZ-CD1 3.51Å; F84-F211 HydrophobicContact CZ-CD1 3.51Å; F84-F211 AromaticContact CZ-CE1 2.91Å; F84-F211 HydrophobicContact CZ-CE1 2.91Å; F84-F211 AromaticContact CZ-CZ 3.51Å; F84-F211 HydrophobicContact CZ-CZ 3.51Å; L192-F211 HydrophobicContact CB-CZ 4.05Å; L192-F211 HydrophobicContact CD2-CD2 4.41Å; L192-F211 HydrophobicContact CD2-CE2 3.24Å; L192-F211 HydrophobicContact CD2-CZ 3.33Å; L192-F211 HydrophobicContact CG-CZ 4.34Å; I206-F211 HydrophobicContact CG2-CB 4.18Å; I206-F211 HydrophobicContact CG2-CD1 4.1Å; I206-F211 HydrophobicContact CG2-CG 4.48Å; G209-F211 PolarHBondContact O-N 3.15Å; F211-V226 HydrophobicContact CD2-CG1 4.15Å; F211-V226 HydrophobicContact CD2-CG2 3.95Å; F211-V226 HydrophobicContact CE2-CG2 3.9Å
212G70.4Confident63Low10 Ų1075.4 Ų75.410%0.10338%0.378CS..  trans-171.2-177.2-173.800000113.6I83 L210 V225I83-G212 VanDerWaalsContact CG1-O 3.3Å; I83-G212 WeakPolarHBondContact CG1-O 3.43Å; L210-G212 WeakPolarHBondContact CD1-O 3.37Å; G212-V225 CarbonylContact C-O 3.59Å; G212-V225 WeakPolarHBondContact CA-O 3.38Å
213K72.5Confident64.5Low88 Ų8872.4 Ų72.438%0.38336%0.358SS..EExtended strand (participates in β ladder)trans-140.5143.3177.560.5-174.3172.5-170.80111.1Q215 V225K213-Q215 HydrophobicContact CD-CG 4.24Å; K213-Q215 VanDerWaalsContact CE-NE2 3.32Å; K213-Q215 HydrophobicContact CG-CG 4.06Å; K213-V225 HydrophobicContact CG-CB 3.98Å; K213-V225 PolarHBondContact N-O 3.39Å; K213-V225 PolarHBondContact O-N 3.37Å
214I78Confident66.2Low7 Ų764.8 Ų64.84%0.03632%0.317CS..EExtended strand (participates in β ladder)trans-91.1123.4168.6-61.7175.1000107.5S80 Y81 I83 F180 L216 V222 R223 L224 L233S80-I214 CarbonylContact C-O 3.38Å; S80-I214 WeakPolarHBondContact CA-O 3.42Å; S80-I214 WeakPolarHBondContact CB-O 3.44Å; Y81-I214 PolarHBondContact N-O 3.19Å; Y81-I214 PolarHBondContact O-N 3.4Å; I83-I214 HydrophobicContact CG2-CD1 3.6Å; I83-I214 HydrophobicContact CG2-CG1 3.85Å; F180-I214 HydrophobicContact CE1-CD1 3.71Å; F180-I214 HydrophobicContact CE1-CG2 4.38Å; F180-I214 HydrophobicContact CE2-CG2 3.92Å; F180-I214 HydrophobicContact CZ-CB 4.36Å; F180-I214 HydrophobicContact CZ-CD1 3.73Å; F180-I214 HydrophobicContact CZ-CG2 3.64Å; I214-L216 HydrophobicContact CG2-CD1 4.47Å; I214-V222 HydrophobicContact CG2-CG1 3.36Å; I214-R223 CarbonylContact C-O 3.59Å; I214-R223 WeakPolarHBondContact CA-O 3.23Å; I214-L224 HydrophobicContact CG1-CD1 4.22Å; I214-L233 HydrophobicContact CD1-CD1 4.18Å; I214-L233 HydrophobicContact CG1-CD1 4.13Å; I214-L233 HydrophobicContact CG2-CD1 3.87Å
215Q75.4Confident67.9Low13 Ų1359.9 Ų59.96%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-108.6132.2179.4-59-166.3-50.900110.5F77 H79 K213 V222 R223 V225F77-Q215 HydrophobicContact CD2-CB 3.97Å; F77-Q215 HydrophobicContact CD2-CG 4.05Å; F77-Q215 HydrophobicContact CE2-CB 3.96Å; F77-Q215 HydrophobicContact CE2-CG 3.82Å; H79-Q215 CarbonylContact O-C 3.39Å; H79-Q215 WeakPolarHBondContact O-CA 3.19Å; K213-Q215 HydrophobicContact CD-CG 4.24Å; K213-Q215 VanDerWaalsContact CE-NE2 3.32Å; K213-Q215 HydrophobicContact CG-CG 4.06Å; Q215-V222 CarbonylContact O-C 3.5Å; Q215-V222 VanDerWaalsContact O-CA 3.32Å; Q215-V222 WeakPolarHBondContact O-CA 3.29Å; Q215-R223 HydrophobicContact CB-CG 3.88Å; Q215-R223 PolarHBondContact N-O 3.31Å; Q215-R223 PolarHBondContact O-N 2.69Å; Q215-V225 HydrophobicContact CG-CG2 3.98Å
216L78.7Confident69.4Low16 Ų1652.3 Ų52.38%0.08426%0.261CS..EExtended strand (participates in β ladder)trans-98.7126.8170.8-70.670000107.8V78 H79 Y81 F177 F180 I214 V222V78-L216 WeakPolarHBondContact CB-O 3.19Å; V78-L216 PolarHBondContact N-O 2.97Å; H79-L216 PolarHBondContact N-O 3.12Å; H79-L216 PolarHBondContact O-N 3.35Å; Y81-L216 HydrophobicContact CD2-CD1 3.54Å; Y81-L216 HydrophobicContact CE2-CD1 3.51Å; Y81-L216 HydrophobicContact CE2-CD2 4.01Å; Y81-L216 HydrophobicContact CE2-CG 4.46Å; F177-L216 HydrophobicContact CD1-CD2 3.46Å; F177-L216 VanDerWaalsContact CD1-CD2 3.46Å; F177-L216 HydrophobicContact CD1-CG 4.08Å; F177-L216 HydrophobicContact CE1-CD2 3.77Å; F177-L216 HydrophobicContact CE1-CG 3.99Å; F180-L216 HydrophobicContact CD2-CD1 4.13Å; F180-L216 HydrophobicContact CE2-CD1 4.28Å; I214-L216 HydrophobicContact CG2-CD1 4.47Å; L216-V222 HydrophobicContact CG-CG2 4.27Å
217L77.2Confident70.5Confident8 Ų851.5 Ų51.54%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-100.1160.5179.6-55.8-179.2000110.3P75 Q76 F77 N219 Q220 E221P75-L217 HydrophobicContact CB-CB 4.21Å; P75-L217 HydrophobicContact CB-CD1 4.01Å; Q76-L217 WeakPolarHBondContact O-CA 2.96Å; F77-L217 HydrophobicContact CB-CD2 4.48Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 WeakPolarHBondContact CB-OD1 3.2Å; L217-N219 PolarHBondContact O-N 2.98Å; L217-Q220 PolarHBondContact O-N 3.48Å; L217-Q220 VanDerWaalsContact O-N 3.09Å; L217-E221 HydrophobicContact CB-CB 4.33Å; L217-E221 WeakPolarHBondContact CB-O 3.12Å; L217-E221 HydrophobicContact CD1-CB 4.03Å; L217-E221 PolarHBondContact N-O 3.08Å
218D75.3Confident71.7Confident73 Ų7352.1 Ų52.139%0.3928%0.282SS..THydrogen-bonded Turntrans-68-28.4-177.157.8-7.7000113.6P75 Q76 V78 Q220P75-D218 WeakPolarHBondContact CA-OD1 3.3Å; Q76-D218 WeakPolarHBondContact CB-OD2 3.09Å; Q76-D218 PolarHBondContact N-OD1 3.07Å; Q76-D218 PolarHBondContact N-OD2 3.03Å; Q76-D218 PolarHBondContact O-N 3.21Å; V78-D218 HydrophobicContact CG2-CB 3.52Å; V78-D218 VanDerWaalsContact CG2-N 3.28Å; D218-Q220 PolarHBondContact O-N 2.64Å
219N78.7Confident72.7Confident61 Ų6146 Ų4633%0.32626%0.255SS..THydrogen-bonded Turntrans-75.66.2171.270.7-18.2000113.9P75 L217 E221P75-N219 HydrophobicContact CB-CB 4.3Å; P75-N219 WeakPolarHBondContact CB-ND2 3.35Å; P75-N219 HydrophobicContact CG-CB 4.37Å; P75-N219 WeakPolarHBondContact CG-ND2 3.3Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 WeakPolarHBondContact CB-OD1 3.2Å; L217-N219 PolarHBondContact O-N 2.98Å; N219-E221 VanDerWaalsContact ND2-CG 3.34Å; N219-E221 WeakPolarHBondContact ND2-CG 3.5Å; N219-E221 PolarHBondContact ND2-OE1 3.18Å; N219-E221 PolarHBondContact ND2-OE2 2.85Å; N219-E221 PolarHBondContact O-N 2.79Å; N219-E221 WeakPolarHBondContact OD1-CB 3.14Å; N219-E221 PolarHBondContact OD1-N 2.95Å
220Q71.1Confident74.1Confident78 Ų7849.4 Ų49.436%0.36426%0.259SS..SBendtrans70.98.9-176.1-56.5165.963.400115F177 L217 D218F177-Q220 HydrophobicContact CE2-CB 4.11Å; F177-Q220 HydrophobicContact CE2-CG 4.32Å; F177-Q220 HydrophobicContact CZ-CB 3.8Å; F177-Q220 HydrophobicContact CZ-CG 4.29Å; F177-Q220 WeakPolarHBondContact CZ-O 3.46Å; L217-Q220 PolarHBondContact O-N 3.48Å; L217-Q220 VanDerWaalsContact O-N 3.09Å; D218-Q220 PolarHBondContact O-N 2.64Å
221E76.3Confident75.1Confident91 Ų9144.1 Ų44.143%0.42523%0.232SC..  trans-71.8147.3167.1-73.5173.3175.100110.4L217 N219L217-E221 HydrophobicContact CB-CB 4.33Å; L217-E221 WeakPolarHBondContact CB-O 3.12Å; L217-E221 HydrophobicContact CD1-CB 4.03Å; L217-E221 PolarHBondContact N-O 3.08Å; N219-E221 VanDerWaalsContact ND2-CG 3.34Å; N219-E221 WeakPolarHBondContact ND2-CG 3.5Å; N219-E221 PolarHBondContact ND2-OE1 3.18Å; N219-E221 PolarHBondContact ND2-OE2 2.85Å; N219-E221 PolarHBondContact O-N 2.79Å; N219-E221 WeakPolarHBondContact OD1-CB 3.14Å; N219-E221 PolarHBondContact OD1-N 2.95Å
222V76.8Confident75.9Confident3 Ų344.7 Ų44.72%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-122133.8173.8-174.20000107.8F175 F177 F180 I214 Q215 L216 L233F175-V222 HydrophobicContact CB-CB 4.47Å; F175-V222 HydrophobicContact CB-CG2 3.69Å; F175-V222 HydrophobicContact CD1-CB 4.25Å; F175-V222 HydrophobicContact CD1-CG2 3.51Å; F175-V222 HydrophobicContact CD2-CB 3.52Å; F175-V222 HydrophobicContact CD2-CG1 4.09Å; F175-V222 HydrophobicContact CD2-CG2 3.58Å; F175-V222 HydrophobicContact CE1-CB 4.47Å; F175-V222 HydrophobicContact CE1-CG1 4.26Å; F175-V222 HydrophobicContact CE1-CG2 4.06Å; F175-V222 HydrophobicContact CE2-CB 3.72Å; F175-V222 HydrophobicContact CE2-CG1 3.76Å; F175-V222 HydrophobicContact CE2-CG2 4.07Å; F175-V222 HydrophobicContact CG-CB 3.8Å; F175-V222 HydrophobicContact CG-CG1 4.44Å; F175-V222 HydrophobicContact CG-CG2 3.26Å; F175-V222 HydrophobicContact CZ-CB 4.2Å; F175-V222 HydrophobicContact CZ-CG1 3.85Å; F175-V222 HydrophobicContact CZ-CG2 4.29Å; F177-V222 HydrophobicContact CD1-CG2 4.34Å; F177-V222 HydrophobicContact CE1-CG2 3.59Å; F177-V222 HydrophobicContact CZ-CG2 4.23Å; F180-V222 HydrophobicContact CE2-CG1 4.24Å; I214-V222 HydrophobicContact CG2-CG1 3.36Å; Q215-V222 CarbonylContact O-C 3.5Å; Q215-V222 VanDerWaalsContact O-CA 3.32Å; Q215-V222 WeakPolarHBondContact O-CA 3.29Å; L216-V222 HydrophobicContact CG-CG2 4.27Å; V222-L233 HydrophobicContact CB-CB 4.36Å; V222-L233 HydrophobicContact CG1-CB 4.31Å; V222-L233 HydrophobicContact CG1-CD1 3.94Å; V222-L233 HydrophobicContact CG1-CG 4.49Å; V222-L233 PolarHBondContact O-N 2.97Å
223R79.9Confident76.4Confident54 Ų5445.1 Ų45.120%0.20424%0.237CC..EExtended strand (participates in β ladder)trans-132.3143.7178.966.3178.2-173.7-156-1.3111.9I214 Q215 V225 F231I214-R223 CarbonylContact C-O 3.59Å; I214-R223 WeakPolarHBondContact CA-O 3.23Å; Q215-R223 HydrophobicContact CB-CG 3.88Å; Q215-R223 PolarHBondContact N-O 3.31Å; Q215-R223 PolarHBondContact O-N 2.69Å; R223-V225 HydrophobicContact CG-CG2 4.2Å; R223-F231 CarbonylContact C-O 3.48Å; R223-F231 WeakPolarHBondContact CA-O 3.49Å; R223-F231 WeakPolarHBondContact CB-O 3.19Å
224L81Confident76.5Confident7 Ų742.8 Ų42.84%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-89.5131.8166.6170.868.9000108.5I83 L192 I214 V226 F231 L233 A270I83-L224 HydrophobicContact CD1-CD1 3.72Å; L192-L224 HydrophobicContact CD1-CD2 3.48Å; L192-L224 VanDerWaalsContact CD1-CD2 3.48Å; L192-L224 HydrophobicContact CD2-CD2 3.64Å; L192-L224 HydrophobicContact CG-CD2 4.24Å; I214-L224 HydrophobicContact CG1-CD1 4.22Å; L224-V226 HydrophobicContact CD1-CG2 4.06Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 3.88Å; L224-F231 HydrophobicContact CB-CB 4.26Å; L224-F231 HydrophobicContact CD2-CD2 4.29Å; L224-F231 HydrophobicContact CG-CD2 4.32Å; L224-F231 PolarHBondContact N-O 2.84Å; L224-F231 PolarHBondContact O-N 3.42Å; L224-L233 HydrophobicContact CB-CD1 4.19Å; L224-L233 HydrophobicContact CB-CD2 3.73Å; L224-L233 HydrophobicContact CB-CG 4.03Å; L224-A270 HydrophobicContact CD2-CB 4.27Å
225V76.8Confident76.2Confident15 Ų1544 Ų449%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-117.9119.6175.8-177.10000108.5G212 K213 Q215 R223 A229 R230G212-V225 CarbonylContact C-O 3.59Å; G212-V225 WeakPolarHBondContact CA-O 3.38Å; K213-V225 HydrophobicContact CG-CB 3.98Å; K213-V225 PolarHBondContact N-O 3.39Å; K213-V225 PolarHBondContact O-N 3.37Å; Q215-V225 HydrophobicContact CG-CG2 3.98Å; R223-V225 HydrophobicContact CG-CG2 4.2Å; V225-A229 WeakPolarHBondContact CA-O 3.49Å; V225-R230 HydrophobicContact CG2-CG 4.45Å
226V76Confident75.3Confident17 Ų1745.6 Ų45.610%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-125108.4178.5-179.80000107.5L192 L194 F211 L224 D228 A229 F231L192-V226 HydrophobicContact CD2-CG2 4.41Å; L194-V226 HydrophobicContact CD1-CG1 4.26Å; L194-V226 HydrophobicContact CD2-CG2 4.49Å; F211-V226 HydrophobicContact CD2-CG1 4.15Å; F211-V226 HydrophobicContact CD2-CG2 3.95Å; F211-V226 HydrophobicContact CE2-CG2 3.9Å; L224-V226 HydrophobicContact CD1-CG2 4.06Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 3.88Å; V226-D228 PolarHBondContact O-N 2.93Å; V226-A229 PolarHBondContact N-O 2.67Å; V226-A229 WeakPolarHBondContact O-CA 3.22Å; V226-A229 VanDerWaalsContact O-CB 3.3Å; V226-A229 WeakPolarHBondContact O-CB 3.21Å; V226-A229 PolarHBondContact O-N 3.36Å; V226-F231 HydrophobicContact CB-CE2 4.4Å; V226-F231 HydrophobicContact CG2-CE2 4.38Å
227G71.9Confident74.4Confident64 Ų6451.5 Ų51.566%0.6627%0.273SS*.THydrogen-bonded Turntrans54.4-122.3-167.800000111.4
228D69.8Low73.7Confident154 Ų15456.2 Ų56.282%0.82430%0.304SS*.THydrogen-bonded Turntrans-89.7-10.8175.6-65.9-35.9000113.7V226V226-D228 PolarHBondContact O-N 2.93Å
229A70Confident73.1Confident10 Ų1055.2 Ų55.28%0.08330%0.298CS..EExtended strand (participates in β ladder)trans-75.6139.6178.900000111.5L198 V225 V226 F231 Y277L198-A229 HydrophobicContact CD1-CB 4.42Å; L198-A229 HydrophobicContact CD2-CB 4.35Å; V225-A229 WeakPolarHBondContact CA-O 3.49Å; V226-A229 PolarHBondContact N-O 2.67Å; V226-A229 WeakPolarHBondContact O-CA 3.22Å; V226-A229 VanDerWaalsContact O-CB 3.3Å; V226-A229 WeakPolarHBondContact O-CB 3.21Å; V226-A229 PolarHBondContact O-N 3.36Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 4.08Å; A229-Y277 WeakPolarHBondContact CB-OH 3.01Å
230R76.8Confident72.3Confident99 Ų9957.9 Ų57.937%0.37432%0.319SS..EExtended strand (participates in β ladder)trans-125.9133.2177.8-59.7-177.5-174.1123.48.2109.9V225 D273V225-R230 HydrophobicContact CG2-CG 4.45Å; R230-D273 PolarHBondContact O-N 2.91Å
231F79.7Confident72Confident9 Ų958.2 Ų58.24%0.03932%0.322CS..EExtended strand (participates in β ladder)trans-127.7129.2178.3-53.3-97.7000109.3L194 L198 R223 L224 V226 A229 L233 A270 V271 P272L194-F231 HydrophobicContact CD2-CZ 4.37Å; L198-F231 HydrophobicContact CD1-CE1 4.3Å; L198-F231 HydrophobicContact CD1-CE2 4.39Å; L198-F231 HydrophobicContact CD1-CZ 3.49Å; L198-F231 VanDerWaalsContact CD1-CZ 3.49Å; R223-F231 CarbonylContact C-O 3.48Å; R223-F231 WeakPolarHBondContact CA-O 3.49Å; R223-F231 WeakPolarHBondContact CB-O 3.19Å; L224-F231 HydrophobicContact CB-CB 4.26Å; L224-F231 HydrophobicContact CD2-CD2 4.29Å; L224-F231 HydrophobicContact CG-CD2 4.32Å; L224-F231 PolarHBondContact N-O 2.84Å; L224-F231 PolarHBondContact O-N 3.42Å; V226-F231 HydrophobicContact CB-CE2 4.4Å; V226-F231 HydrophobicContact CG2-CE2 4.38Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 4.08Å; F231-L233 PolarHBondContact O-N 2.79Å; F231-A270 HydrophobicContact CB-CB 3.91Å; F231-A270 HydrophobicContact CD1-CB 4.37Å; F231-A270 HydrophobicContact CG-CB 4.28Å; F231-V271 CarbonylContact C-O 3.49Å; F231-V271 WeakPolarHBondContact CA-O 3.18Å; F231-P272 HydrophobicContact CD1-CB 4.27Å; F231-P272 HydrophobicContact CD1-CG 3.98Å; F231-P272 HydrophobicContact CE1-CB 4.38Å; F231-P272 HydrophobicContact CE1-CG 3.96Å
232N82.1Confident71.6Confident62 Ų6256.9 Ų56.933%0.33233%0.327SS..EExtended strand (participates in β ladder)trans-73127169-66.3-28.6000108.4V271N232-V271 PolarHBondContact N-O 3.04Å; N232-V271 PolarHBondContact O-N 2.82Å
233L79.6Confident71.4Confident18 Ų1859.2 Ų59.29%0.09434%0.343CS..EExtended strand (participates in β ladder)trans-90117.6175.1-63.2-172.7000109.1F175 I214 V222 L224 F231 A269 A270F175-L233 HydrophobicContact CD2-CB 4.41Å; F175-L233 HydrophobicContact CE2-CB 3.83Å; F175-L233 HydrophobicContact CE2-CD1 4.35Å; I214-L233 HydrophobicContact CD1-CD1 4.18Å; I214-L233 HydrophobicContact CG1-CD1 4.13Å; I214-L233 HydrophobicContact CG2-CD1 3.87Å; V222-L233 HydrophobicContact CB-CB 4.36Å; V222-L233 HydrophobicContact CG1-CB 4.31Å; V222-L233 HydrophobicContact CG1-CD1 3.94Å; V222-L233 HydrophobicContact CG1-CG 4.49Å; V222-L233 PolarHBondContact O-N 2.97Å; L224-L233 HydrophobicContact CB-CD1 4.19Å; L224-L233 HydrophobicContact CB-CD2 3.73Å; L224-L233 HydrophobicContact CB-CG 4.03Å; F231-L233 PolarHBondContact O-N 2.79Å; L233-A269 WeakPolarHBondContact CA-O 3.41Å; L233-A270 HydrophobicContact CD2-CB 3.68Å
234S75.2Confident71.3Confident40 Ų4060 Ų6028%0.2835%0.352SS..EExtended strand (participates in β ladder)trans-111.2148.3171.261.80000109.8P236 M268 A269S234-P236 WeakPolarHBondContact O-CD 3.28Å; S234-M268 CarbonylContact O-C 3.52Å; S234-M268 VanDerWaalsContact O-CA 3.23Å; S234-M268 WeakPolarHBondContact O-CA 3.22Å; S234-A269 PolarHBondContact N-O 3.48Å; S234-A269 PolarHBondContact O-N 3.11Å
235C71.1Confident70.9Confident32 Ų3261.4 Ų61.422%0.21636%0.36CS..  trans-102.595.7172.4-173.80000107.5R237 T267C235-R237 VanDerWaalsContact C-N 3.33Å; C235-R237 PolarHBondContact O-N 2.69Å; C235-T267 PolarHBondContact SG-O 2.9Å
236P57.7Low71Confident46 Ų4663.8 Ų63.830%0.29938%0.375SS..  trans-75.386-177.331-35.1000110.2S234 T267 A269S234-P236 WeakPolarHBondContact O-CD 3.28Å; P236-T267 WeakPolarHBondContact CD-O 3.36Å; P236-A269 HydrophobicContact CG-CB 4.3Å
237R59.7Low71.1Confident141 Ų14166.9 Ų66.953%0.53239%0.39SS..SBendtrans60.7154.5178-57.6-178.5-177.6174.15.3114.4C235C235-R237 VanDerWaalsContact C-N 3.33Å; C235-R237 PolarHBondContact O-N 2.69Å
238P62.9Low71.6Confident107 Ų10768.3 Ų68.370%0.69539%0.386SS*.EExtended strand (participates in β ladder)trans-57.7142.8161.1-19.532.3000109.3
239L62.9Low72Confident51 Ų5163.9 Ų63.927%0.26736%0.362SS..EExtended strand (participates in β ladder)trans-59.8131.5174.5-76.6171.3000109.5I241 V264 T267L239-I241 WeakPolarHBondContact CB-O 3.49Å; L239-I241 PolarHBondContact O-N 3.38Å; L239-V264 HydrophobicContact CD1-CB 4.1Å; L239-V264 HydrophobicContact CD1-CG1 3.53Å; L239-T267 HydrophobicContact CD1-CG2 3.95Å; L239-T267 HydrophobicContact CD2-CG2 3.65Å; L239-T267 HydrophobicContact CG-CG2 3.92Å
240P61.3Low72.5Confident117 Ų11769.1 Ų69.176%0.7639%0.385SS*.EExtended strand (participates in β ladder)trans-67.8-21.3178.927.5-33.8000112.1
241I64.9Low72.6Confident86 Ų8671 Ų7144%0.44140%0.403SS..EExtended strand (participates in β ladder)trans-131.1132-176.2-55.8171.5000107.1L239 S243L239-I241 WeakPolarHBondContact CB-O 3.49Å; L239-I241 PolarHBondContact O-N 3.38Å; I241-S243 PolarHBondContact O-N 3.44Å
242A67.8Low72.4Confident63 Ų6373.7 Ų73.752%0.52142%0.418SS..EExtended strand (participates in β ladder)trans-66.8123.8170.200000108.6M148M148-A242 HydrophobicContact CE-CB 3.96Å
243S71.8Confident72.1Confident52 Ų5276.3 Ų76.336%0.36444%0.438SS..EExtended strand (participates in β ladder)trans-109.7143.1178.1-60.60000109.8I241 H263 V264I241-S243 PolarHBondContact O-N 3.44Å; S243-H263 CarbonylContact O-C 3.52Å; S243-V264 PolarHBondContact O-N 2.92Å
244D77.5Confident72.2Confident71 Ų7183.7 Ų83.738%0.3847%0.472SS..EExtended strand (participates in β ladder)trans-100.2144.3174.1-70.71.6000109.8V246 H263D244-V246 HydrophobicContact CB-CG2 4.4Å; D244-H263 IonicContact OD1-CE1 3.42Å; D244-H263 PolarHBondContact OD1-CE1 3.49Å; D244-H263 IonicContact OD1-CG 3.79Å; D244-H263 IonicContact OD1-ND1 2.67Å; D244-H263 PolarHBondContact OD1-ND1 2.88Å; D244-H263 IonicContact OD2-CE1 3.78Å; D244-H263 IonicContact OD2-ND1 3.79Å
245V74.3Confident72.2Confident35 Ų3587 Ų8721%0.21249%0.486CS..EExtended strand (participates in β ladder)trans-94.4119.7167.6-169.70000107.6L189 I261 G262 V264L189-V245 HydrophobicContact CD2-CB 4.4Å; L189-V245 HydrophobicContact CD2-CG1 3.81Å; L189-V245 HydrophobicContact CD2-CG2 3.85Å; V245-I261 HydrophobicContact CB-CD1 4.32Å; V245-I261 HydrophobicContact CB-CG1 3.76Å; V245-I261 HydrophobicContact CG1-CD1 3.59Å; V245-I261 HydrophobicContact CG1-CG1 3.57Å; V245-I261 WeakPolarHBondContact O-CG1 3.33Å; V245-I261 PolarHBondContact O-N 3.21Å; V245-G262 PolarHBondContact N-O 2.73Å; V245-V264 HydrophobicContact CG2-CG2 3.37Å
246V77Confident72.7Confident65 Ų6590.5 Ų90.539%0.39450%0.501SS..EExtended strand (participates in β ladder)trans-116.6122.1-179.9-177.60000108.9D244 V248 L258 E259D244-V246 HydrophobicContact CB-CG2 4.4Å; V246-V248 PolarHBondContact O-N 3.13Å; V246-L258 HydrophobicContact CG1-CB 3.88Å; V246-L258 HydrophobicContact CG1-CD2 4.15Å; V246-E259 CarbonylContact C-O 3.54Å; V246-E259 WeakPolarHBondContact CA-O 3.43Å
247L78.7Confident73.6Confident82 Ų8292 Ų9243%0.42951%0.512SS..EExtended strand (participates in β ladder)trans-73.4120.8166.4178.265.4000108.2L258 E259 I261L247-L258 WeakPolarHBondContact O-CA 3.49Å; L247-E259 HydrophobicContact CB-CB 4.33Å; L247-E259 PolarHBondContact N-O 2.66Å; L247-E259 PolarHBondContact O-N 2.91Å; L247-I261 HydrophobicContact CB-CG2 3.88Å
248V83.7Confident74.8Confident95 Ų9590.7 Ų90.758%0.57652%0.515SS*.EExtended strand (participates in β ladder)trans-101.5112.7174-174.20000107.3V246 I256 L258V246-V248 PolarHBondContact O-N 3.13Å; V248-I256 HydrophobicContact CG1-CG2 3.68Å; V248-L258 HydrophobicContact CB-CD2 4.19Å; V248-L258 HydrophobicContact CG1-CD2 3.95Å; V248-L258 HydrophobicContact CG2-CD2 3.73Å
249N78.1Confident75.4Confident61 Ų6191.6 Ų91.633%0.32651%0.51SS..EExtended strand (participates in β ladder)trans-117.4129.4177.3-169.65.8000110.3D251 C257N249-D251 PolarHBondContact ND2-OD2 2.91Å; N249-D251 PolarHBondContact OD1-OD1 2.68Å; N249-D251 VanDerWaalsContact OD1-OD1 3.11Å; N249-C257 HydrophobicContact CB-CB 4.37Å; N249-C257 PolarHBondContact N-O 2.77Å; N249-C257 PolarHBondContact O-N 2.89Å
250Q80Confident76.1Confident120 Ų12092.3 Ų92.356%0.56152%0.518SS*.EExtended strand (participates in β ladder)trans-123.168.5178.1-167.7-179.412.200109.5N252 I256Q250-N252 WeakPolarHBondContact CG-O 3.45Å; Q250-N252 PolarHBondContact O-N 2.76Å; Q250-I256 HydrophobicContact CG-CG1 4.23Å
251D77.8Confident76.8Confident139 Ų13989.7 Ų89.774%0.74350%0.497SS*.EExtended strand (participates in β ladder)trans-72.7-19.8173.5-68.3-37.4000112.3N249N249-D251 PolarHBondContact ND2-OD2 2.91Å; N249-D251 PolarHBondContact OD1-OD1 2.68Å; N249-D251 VanDerWaalsContact OD1-OD1 3.11Å
252N75.3Confident77Confident65 Ų6587 Ų8735%0.34849%0.49SS..EExtended strand (participates in β ladder)trans-125.2130.1177.9-178.6-30.3000109.5Q250 E254 L255Q250-N252 WeakPolarHBondContact CG-O 3.45Å; Q250-N252 PolarHBondContact O-N 2.76Å; N252-E254 PolarHBondContact O-N 3.33Å; N252-E254 VanDerWaalsContact O-N 3.1Å; N252-E254 WeakPolarHBondContact OD1-CB 3.42Å; N252-E254 PolarHBondContact OD1-N 3.06Å; N252-L255 HydrophobicContact CB-CB 4.2Å; N252-L255 CarbonylContact O-C 3.56Å; N252-L255 PolarHBondContact O-N 3.12Å; N252-L255 VanDerWaalsContact O-N 3.08Å
253P76.7Confident77.2Confident116 Ų11690.1 Ų90.175%0.75349%0.494SS*.THydrogen-bonded Turntrans-57.8-25.8179.323-34000113.9
254E81.6Confident77.2Confident174 Ų17489.7 Ų89.781%0.81349%0.489SS*.THydrogen-bonded Turntrans-91.9-11.7-179.9-59.6-176.817300113.8N252N252-E254 PolarHBondContact O-N 3.33Å; N252-E254 VanDerWaalsContact O-N 3.1Å; N252-E254 WeakPolarHBondContact OD1-CB 3.42Å; N252-E254 PolarHBondContact OD1-N 3.06Å
255L76.2Confident76.7Confident109 Ų10993.3 Ų93.357%0.57150%0.504SS*.EExtended strand (participates in β ladder)trans-133.4125-175-63.8171.8000111.6N252N252-L255 HydrophobicContact CB-CB 4.2Å; N252-L255 CarbonylContact O-C 3.56Å; N252-L255 PolarHBondContact O-N 3.12Å; N252-L255 VanDerWaalsContact O-N 3.08Å
256I81.5Confident76.5Confident105 Ų10595.1 Ų95.154%0.53851%0.51SS..EExtended strand (participates in β ladder)trans-103.6117.8169.9-60.7171.7000107.8V248 Q250 L258V248-I256 HydrophobicContact CG1-CG2 3.68Å; Q250-I256 HydrophobicContact CG-CG1 4.23Å; I256-L258 HydrophobicContact CG2-CD2 3.95Å; I256-L258 HydrophobicContact CG2-CG 4.42Å
257C76.7Confident76.2Confident77 Ų7794.4 Ų94.452%0.5251%0.506SS..EExtended strand (participates in β ladder)trans-88.9124.6174-69.20000109.3N249N249-C257 HydrophobicContact CB-CB 4.37Å; N249-C257 PolarHBondContact N-O 2.77Å; N249-C257 PolarHBondContact O-N 2.89Å
258L83.2Confident75.9Confident115 Ų11593.3 Ų93.360%0.60250%0.499SS*.EExtended strand (participates in β ladder)trans-110.6117.9174.4-59.3179.7000109V246 L247 V248 I256V246-L258 HydrophobicContact CG1-CB 3.88Å; V246-L258 HydrophobicContact CG1-CD2 4.15Å; L247-L258 WeakPolarHBondContact O-CA 3.49Å; V248-L258 HydrophobicContact CB-CD2 4.19Å; V248-L258 HydrophobicContact CG1-CD2 3.95Å; V248-L258 HydrophobicContact CG2-CD2 3.73Å; I256-L258 HydrophobicContact CG2-CD2 3.95Å; I256-L258 HydrophobicContact CG2-CG 4.42Å
259E76Confident75.5Confident125 Ų12589.8 Ų89.858%0.58448%0.48SS*.EExtended strand (participates in β ladder)trans-119117.5176.9-177.9174.5-16900110.1V246 L247 I261V246-E259 CarbonylContact C-O 3.54Å; V246-E259 WeakPolarHBondContact CA-O 3.43Å; L247-E259 HydrophobicContact CB-CB 4.33Å; L247-E259 PolarHBondContact N-O 2.66Å; L247-E259 PolarHBondContact O-N 2.91Å; E259-I261 HydrophobicContact CG-CG2 4.29Å; E259-I261 PolarHBondContact O-N 3.41Å
260C78.6Confident75.5Confident67 Ų6788.7 Ų88.745%0.45348%0.479SS..EExtended strand (participates in β ladder)trans-73.3116.8173.3-177.60000109.5
261I75.3Confident75.5Confident62 Ų6286.4 Ų86.432%0.31847%0.473SS..EExtended strand (participates in β ladder)trans-101.8-8.3-176.162.3172.7000113.3V245 L247 E259V245-I261 HydrophobicContact CB-CD1 4.32Å; V245-I261 HydrophobicContact CB-CG1 3.76Å; V245-I261 HydrophobicContact CG1-CD1 3.59Å; V245-I261 HydrophobicContact CG1-CG1 3.57Å; V245-I261 WeakPolarHBondContact O-CG1 3.33Å; V245-I261 PolarHBondContact O-N 3.21Å; L247-I261 HydrophobicContact CB-CG2 3.88Å; E259-I261 HydrophobicContact CG-CG2 4.29Å; E259-I261 PolarHBondContact O-N 3.41Å
262G69.1Low75.5Confident28 Ų2882.3 Ų82.329%0.28945%0.454SS..EExtended strand (participates in β ladder)trans164.8173.4172.800000114.3V245V245-G262 PolarHBondContact N-O 2.73Å
263H72.2Confident75.3Confident129 Ų12980.7 Ų80.760%0.59745%0.446SS*.EExtended strand (participates in β ladder)trans-105.2136.2176.6-55.7-66.1000110.1S243 D244S243-H263 CarbonylContact O-C 3.52Å; D244-H263 IonicContact OD1-CE1 3.42Å; D244-H263 PolarHBondContact OD1-CE1 3.49Å; D244-H263 IonicContact OD1-CG 3.79Å; D244-H263 IonicContact OD1-ND1 2.67Å; D244-H263 PolarHBondContact OD1-ND1 2.88Å; D244-H263 IonicContact OD2-CE1 3.78Å; D244-H263 IonicContact OD2-ND1 3.79Å
264V71.6Confident75.1Confident43 Ų4381.1 Ų81.126%0.26144%0.441SS..EExtended strand (participates in β ladder)trans-92.2109174.6-168.10000108.5L239 S243 V245L239-V264 HydrophobicContact CD1-CB 4.1Å; L239-V264 HydrophobicContact CD1-CG1 3.53Å; S243-V264 PolarHBondContact O-N 2.92Å; V245-V264 HydrophobicContact CG2-CG2 3.37Å
265E68.3Low74.5Confident148 Ų14880.2 Ų80.269%0.69244%0.437SS*.EExtended strand (participates in β ladder)trans-96.1-27178-61.7-178.2171.400112.4
266Q68.6Low73.8Confident73 Ų7376.8 Ų76.834%0.34142%0.42SS..EExtended strand (participates in β ladder)trans-145.7146.9-169.9-63.3-179.67.200111.2
267T70.3Confident72.9Confident50 Ų5075.1 Ų75.131%0.30741%0.408SS..  trans-117.1153.6170.854.60000110.1C235 P236 L239C235-T267 PolarHBondContact SG-O 2.9Å; P236-T267 WeakPolarHBondContact CD-O 3.36Å; L239-T267 HydrophobicContact CD1-CG2 3.95Å; L239-T267 HydrophobicContact CD2-CG2 3.65Å; L239-T267 HydrophobicContact CG-CG2 3.92Å
268M73.4Confident72Confident59 Ų5976.4 Ų76.429%0.29141%0.413SS..  trans-131.2143173-63.5-177.1-67.800109.1F175 L179 F190 S234F175-M268 HydrophobicContact CE1-SD 4.49Å; F175-M268 HydrophobicContact CE2-SD 3.54Å; F175-M268 VanDerWaalsContact CE2-SD 3.54Å; F175-M268 HydrophobicContact CZ-SD 3.37Å; F175-M268 WeakPolarHBondContact CZ-SD 3.43Å; L179-M268 HydrophobicContact CD1-CE 4.32Å; L179-M268 HydrophobicContact CD1-CG 4.45Å; L179-M268 HydrophobicContact CD1-SD 3.77Å; F190-M268 HydrophobicContact CD1-CE 3.63Å; F190-M268 HydrophobicContact CE1-CE 3.46Å; F190-M268 VanDerWaalsContact CE1-CE 3.46Å; S234-M268 CarbonylContact O-C 3.52Å; S234-M268 VanDerWaalsContact O-CA 3.23Å; S234-M268 WeakPolarHBondContact O-CA 3.22Å
269A75.8Confident70.8Confident21 Ų2177.4 Ų77.417%0.17441%0.414CS..EExtended strand (participates in β ladder)trans-107.9133.817200000109.4L233 S234 P236L233-A269 WeakPolarHBondContact CA-O 3.41Å; S234-A269 PolarHBondContact N-O 3.48Å; S234-A269 PolarHBondContact O-N 3.11Å; P236-A269 HydrophobicContact CG-CB 4.3Å
270A78.3Confident69.6Low37 Ų3777.2 Ų77.231%0.30642%0.416SS..EExtended strand (participates in β ladder)trans-97.2103.5171.400000109L192 L224 F231 L233L192-A270 HydrophobicContact CD1-CB 4.21Å; L224-A270 HydrophobicContact CD2-CB 4.27Å; F231-A270 HydrophobicContact CB-CB 3.91Å; F231-A270 HydrophobicContact CD1-CB 4.37Å; F231-A270 HydrophobicContact CG-CB 4.28Å; L233-A270 HydrophobicContact CD2-CB 3.68Å
271V79.6Confident68Low73 Ų7377.4 Ų77.444%0.44243%0.43SS..EExtended strand (participates in β ladder)trans-98.4123-178.3-175.30000109F231 N232 D273F231-V271 CarbonylContact C-O 3.49Å; F231-V271 WeakPolarHBondContact CA-O 3.18Å; N232-V271 PolarHBondContact N-O 3.04Å; N232-V271 PolarHBondContact O-N 2.82Å; V271-D273 PolarHBondContact O-N 3.49Å
272P76.6Confident66.3Low53 Ų5386 Ų8634%0.34447%0.465SS..EExtended strand (participates in β ladder)trans-54134.9176.6-23.731.9000111.3F231 L274 Y277F231-P272 HydrophobicContact CD1-CB 4.27Å; F231-P272 HydrophobicContact CD1-CG 3.98Å; F231-P272 HydrophobicContact CE1-CB 4.38Å; F231-P272 HydrophobicContact CE1-CG 3.96Å; P272-L274 VanDerWaalsContact C-N 3.29Å; P272-L274 HydrophobicContact CB-CD2 4.39Å; P272-L274 PolarHBondContact O-N 3.08Å; P272-Y277 HydrophobicContact CB-CD2 4.04Å; P272-Y277 HydrophobicContact CB-CE2 3.83Å
273D72.5Confident66.1Low31 Ų3188.9 Ų88.917%0.16647%0.474CS..  trans-7387.2172.6176.36.3000109.7R230 V271 E275 T276 Y277R230-D273 PolarHBondContact O-N 2.91Å; V271-D273 PolarHBondContact O-N 3.49Å; D273-E275 PolarHBondContact O-N 3.44Å; D273-E275 WeakPolarHBondContact OD1-CB 3.34Å; D273-E275 PolarHBondContact OD1-N 3.1Å; D273-T276 WeakPolarHBondContact O-CA 3.36Å; D273-T276 WeakPolarHBondContact O-CB 3.48Å; D273-T276 PolarHBondContact O-N 3.15Å; D273-T276 PolarHBondContact OD1-N 2.86Å; D273-T276 WeakPolarHBondContact OD2-CB 3.2Å; D273-T276 PolarHBondContact OD2-OG1 3.49Å; D273-Y277 VanDerWaalsContact O-CD2 3.27Å; D273-Y277 WeakPolarHBondContact O-CD2 3.34Å; D273-Y277 PolarHBondContact O-N 2.94Å
274L71.7Confident65.8Low124 Ų12486.8 Ų86.865%0.64947%0.468SS*.Hα-helixtrans-59.2-29.7-176.7-64.4-179.3000112.4P272 T276 Y277 V278P272-L274 VanDerWaalsContact C-N 3.29Å; P272-L274 HydrophobicContact CB-CD2 4.39Å; P272-L274 PolarHBondContact O-N 3.08Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.16Å; L274-Y277 PolarHBondContact O-N 3.04Å; L274-V278 WeakPolarHBondContact O-CB 3.02Å; L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 3.41Å
275E68.6Low65.5Low156 Ų15689.2 Ų89.273%0.72948%0.479SS*.Hα-helixtrans-62.6-43.6174.1-67.2-170.3176.400110.6D273 H279D273-E275 PolarHBondContact O-N 3.44Å; D273-E275 WeakPolarHBondContact OD1-CB 3.34Å; D273-E275 PolarHBondContact OD1-N 3.1Å; E275-H279 PolarHBondContact O-CE1 3.01Å; E275-H279 PolarHBondContact O-ND1 3Å
276T61.5Low65.3Low37 Ų3785.8 Ų85.823%0.22747%0.467CS..Hα-helixtrans-66.6-39.5174.1-66.30000111.7D273 L274 H279D273-T276 WeakPolarHBondContact O-CA 3.36Å; D273-T276 WeakPolarHBondContact O-CB 3.48Å; D273-T276 PolarHBondContact O-N 3.15Å; D273-T276 PolarHBondContact OD1-N 2.86Å; D273-T276 WeakPolarHBondContact OD2-CB 3.2Å; D273-T276 PolarHBondContact OD2-OG1 3.49Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.16Å; T276-H279 PolarHBondContact O-N 3Å
277Y62.5Low65.1Low70 Ų7086.6 Ų86.628%0.27547%0.474SS..Hα-helixtrans-70-33.1-180-83-82.4000114.2A229 P272 D273 L274 H279 L280A229-Y277 WeakPolarHBondContact CB-OH 3.01Å; P272-Y277 HydrophobicContact CB-CD2 4.04Å; P272-Y277 HydrophobicContact CB-CE2 3.83Å; D273-Y277 VanDerWaalsContact O-CD2 3.27Å; D273-Y277 WeakPolarHBondContact O-CD2 3.34Å; D273-Y277 PolarHBondContact O-N 2.94Å; L274-Y277 PolarHBondContact O-N 3.04Å; Y277-H279 PolarHBondContact O-N 3.31Å; Y277-L280 HydrophobicContact CD1-CD1 3.92Å; Y277-L280 HydrophobicContact CE1-CD1 4.24Å; Y277-L280 HydrophobicContact CG-CD1 4.5Å; Y277-L280 WeakPolarHBondContact O-CB 3.48Å; Y277-L280 PolarHBondContact O-N 3.38Å
278V59.6Low64.8Low103 Ų10389 Ų8962%0.62449%0.486SS*.Hα-helixtrans-62.7-25.41761690000111.7L274L274-V278 WeakPolarHBondContact O-CB 3.02Å; L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 3.41Å
279H56.9Low64.1Low137 Ų13791.1 Ų91.163%0.63450%0.499SS*.THydrogen-bonded Turntrans-83.3-11.8175.2-65.290.7000114.1E275 T276 Y277E275-H279 PolarHBondContact O-CE1 3.01Å; E275-H279 PolarHBondContact O-ND1 3Å; T276-H279 PolarHBondContact O-N 3Å; Y277-H279 PolarHBondContact O-N 3.31Å
280L50.4Low63.3Low120 Ų12096.5 Ų96.563%0.62853%0.525SS*.THydrogen-bonded Turntrans-86.2-12.4177.2-69.5169.2000113Y277Y277-L280 HydrophobicContact CD1-CD1 3.92Å; Y277-L280 HydrophobicContact CE1-CD1 4.24Å; Y277-L280 HydrophobicContact CG-CD1 4.5Å; Y277-L280 WeakPolarHBondContact O-CB 3.48Å; Y277-L280 PolarHBondContact O-N 3.38Å
281G46.3Very low62Low72 Ų72101.5 Ų101.574%0.74254%0.543SS*.THydrogen-bonded Turntrans-97.417.1179.500000115.3
282K38Very low60.4Low242 Ų242104.1 Ų104.1100%1.05255%0.552SS**  trans-120.30171.6-70.1-174.2-179.5178.20109.6

Retrieved 282 of 282 residues in 416.8 ms (Link to these results)