A0A096M6J5_POEFO Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M6J5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S38.4Very low28.7Very low171 Ų171165.3 Ų165.3100%1.19688%0.882SS**  099.10-71.50000109.4
2T29.2Very low28.7Very low140 Ų140166.5 Ų166.586%0.85988%0.879SS**  trans177.399.8154.625.20000104.3
3L28.6Very low28.6Very low173 Ų173165.4 Ų165.491%0.90687%0.874SS**  trans-96.8110.1171.5-89.9157.4000105.4Q5L3-Q5 PolarHBondContact O-N 3.36Å
4D27.2Very low28.5Very low155 Ų155168 Ų16883%0.82988%0.879SS**  trans-68.8123.6169.4-76.7-40.4000109.4
5Q31.9Very low28.4Very low190 Ų190168.9 Ų168.989%0.88888%0.877SS**  trans-86.1101.9168.2-74.1176.1-32.100107.4L3L3-Q5 PolarHBondContact O-N 3.36Å
6E26.9Very low28.2Very low187 Ų187167.3 Ų167.387%0.87486%0.864SS**  trans-82.8118.1163.2-91-176.3152.500109.9L8E6-L8 PolarHBondContact O-N 3.19Å
7E25.6Very low28.1Very low186 Ų186167.2 Ų167.287%0.86986%0.863SS**  trans-51.9120.9169.5-89170.3127.600111.9E9E7-E9 PolarHBondContact O-N 3.48Å
8L26.5Very low27.9Very low173 Ų173165.7 Ų165.791%0.90685%0.852SS**  trans-81.198.7161.7-95.6105.9000109.6E6E6-L8 PolarHBondContact O-N 3.19Å
9E25.6Very low27.7Very low164 Ų164163.4 Ų163.477%0.76684%0.84SS**  trans-66.1139.1158.3-68.3-168.8154.900110.8E7 L11E7-E9 PolarHBondContact O-N 3.48Å; E9-L11 PolarHBondContact O-N 3.1Å
10P29.1Very low27.6Very low121 Ų121164.4 Ų164.479%0.78684%0.838SS**  trans-87.4103.916831.1-25.8000110.1Q12P10-Q12 PolarHBondContact O-N 3.33Å
11L26.7Very low27.4Very low158 Ų158163.1 Ų163.183%0.82783%0.829SS**  trans-51.7123.3169.5-76.7163.2000111.4E9E9-L11 PolarHBondContact O-N 3.1Å
12Q28.9Very low26.9Very low180 Ų180163.2 Ų163.284%0.84181%0.81SS**  trans-69.7121.8164-63.7175.5-34.400108.1P10P10-Q12 PolarHBondContact O-N 3.33Å
13D28Very low26.7Very low152 Ų152160.9 Ų160.981%0.81380%0.796SS**  trans-164.396.8159.7-90.9-31.1000108.9
14E26.8Very low26.8Very low202 Ų202158.4 Ų158.494%0.94478%0.784SS**  trans-140.588.3155.2-78.1-163.4165.200108.5
15E26.2Very low26.9Very low181 Ų181156.8 Ų156.885%0.84678%0.779SS**  trans-85.8112.3165.9-150.9174.8-168.100110.1
16Q26.5Very low26.8Very low143 Ų143150.7 Ų150.767%0.66876%0.757SS**  trans25.5120.1149.3-54.9-172.828.600120.9
17I25.4Very low26.9Very low166 Ų166150.5 Ų150.585%0.85176%0.759SS**  trans-122.296.8133.8-60.9179.2000107.5L19I17-L19 PolarHBondContact O-N 3.14Å
18E24.6Very low27Very low141 Ų141147.5 Ų147.566%0.65975%0.753SS**  trans-63.9106.3163.8-94.1-167.5154.100109.2
19L23.5Very low27.1Very low121 Ų121145.5 Ų145.563%0.63474%0.743SS**  trans-92.9103.1153.6-152.880.9000106.2I17 Q21I17-L19 PolarHBondContact O-N 3.14Å; L19-Q21 HydrophobicContact CD2-CG 4.2Å; L19-Q21 PolarHBondContact O-N 3.22Å
20K27.1Very low27.2Very low183 Ų183142.6 Ų142.680%0.79674%0.738SS**  trans-62.287.3169.9-73.4-179.9179.5176.80109.2
21Q23.9Very low27.1Very low139 Ų139142.1 Ų142.165%0.6573%0.733SS**  trans-106.499.2156.7-70.9-174.2-16.600106.1L19 T23L19-Q21 HydrophobicContact CD2-CG 4.2Å; L19-Q21 PolarHBondContact O-N 3.22Å; Q21-T23 HydrophobicContact CB-CG2 4.3Å; Q21-T23 PolarHBondContact O-N 3.24Å
22E26.9Very low27.2Very low172 Ų172142.1 Ų142.180%0.80473%0.734SS**  trans-61.585.6166.1-71.6-173175.800108.3K185E22-K185 IonicContact OE2-NZ 3.17Å; E22-K185 PolarHBondContact OE2-NZ 3.16Å
23T26Very low27.1Very low91 Ų91140.1 Ų140.156%0.55872%0.724SS**  trans-91.1114.1171.348.90000107.6Q21 T25Q21-T23 HydrophobicContact CB-CG2 4.3Å; Q21-T23 PolarHBondContact O-N 3.24Å; T23-T25 PolarHBondContact O-N 3.43Å; T23-T25 PolarHBondContact O-OG1 2.89Å
24D30.5Very low27.1Very low121 Ų121142 Ų14265%0.64773%0.728SS**  trans-62.277.4174.2-132.2-5.9000109C26D24-C26 VanDerWaalsContact C-N 3.3Å; D24-C26 PolarHBondContact O-N 3.5Å
25T29Very low27.2Very low121 Ų121138.5 Ų138.574%0.74272%0.721SS**  trans-87.271.2-175.732.60000109.8T23T23-T25 PolarHBondContact O-N 3.43Å; T23-T25 PolarHBondContact O-OG1 2.89Å
26C29.7Very low27.3Very low62 Ų62135.5 Ų135.542%0.41972%0.72SS.*  trans-79.3117.5151.4-74.20000107.3D24 V28 C192D24-C26 VanDerWaalsContact C-N 3.3Å; D24-C26 PolarHBondContact O-N 3.5Å; C26-V28 PolarHBondContact O-N 3.19Å; C26-C192 PolarHBondContact SG-SG 3.43Å
27M27.9Very low27.4Very low184 Ų184137.2 Ų137.291%0.90673%0.728SS**  trans-49.5113.5174.7-69.9-162.5175.400110.2
28V29.2Very low27.5Very low123 Ų123135.2 Ų135.275%0.74572%0.723SS**PPolyproline II helixtrans-80.8123.1161.2-109.60000106.6C26C26-V28 PolarHBondContact O-N 3.19Å
29D26.8Very low27.5Very low130 Ų130137.1 Ų137.170%0.69573%0.732SS**PPolyproline II helixtrans-53.3144.4169.7-67-49.9000110.1V31D29-V31 PolarHBondContact O-N 3.08Å
30P27.9Very low27.6Very low104 Ų104136.4 Ų136.468%0.67574%0.737SS**PPolyproline II helixtrans-51.8139.2-175.4-23.531.9000112.9D32P30-D32 PolarHBondContact O-N 3.27Å
31V28.6Very low27.7Very low110 Ų110135.9 Ų135.967%0.66774%0.737SS**  trans-80.7104.2161.6-177.30000105.5D29D29-V31 PolarHBondContact O-N 3.08Å
32D27.4Very low28.4Very low159 Ų159134.6 Ų134.685%0.8574%0.741SS**  trans-81122.2159.9-82.4-36.6000107.5P30P30-D32 PolarHBondContact O-N 3.27Å
33E26.9Very low28.6Very low137 Ų137132.4 Ų132.464%0.6474%0.735SS**  trans-117.8100.8-177.2-176.2179.3-15200104.5K274E33-K274 IonicContact OE2-NZ 3.55Å; E33-K274 PolarHBondContact OE2-NZ 3.08Å
34Q29Very low28.8Very low192 Ų192139.4 Ų139.490%0.89775%0.751SS**  trans-131101.6167.8-86.2-177.2-1900107.8
35T28.3Very low28.9Very low128 Ų128140.5 Ų140.579%0.78576%0.757SS**  trans-84.6130.9162.541.70000109.7
36S29.2Very low29.1Very low119 Ų119143 Ų14383%0.83276%0.76SS**  trans-147.2114.3149.457.10000109.7
37H27.9Very low29.1Very low179 Ų179146.2 Ų146.283%0.82978%0.778SS**  trans-70.4160.9154.4-61.2-80.4000108.4
38T26.7Very low29.3Very low123 Ų123143.8 Ų143.876%0.75577%0.767SS**  cis-151.1157.816.736.50000105.8
39E24.4Very low30.2Very low182 Ų182145.7 Ų145.785%0.8577%0.771SS**  -163.2152.268.6-80.3-179.9160.400112.7
40S26.1Very low30.6Very low105 Ų105147.2 Ų147.273%0.73477%0.774SS**  trans-50.4128.7174.1430000116.4
41E28.5Very low30.9Very low172 Ų172150.6 Ų150.680%0.80478%0.781SS**  82.6155.198.9-90.9-161.5-16000115.4
42P38.7Very low31.6Very low112 Ų112150.7 Ų150.773%0.72779%0.793SS**  cis-136.6151.728.836.1-15000118.8
43N32.3Very low32.2Very low126 Ų126147.2 Ų147.267%0.67479%0.787SS**  15.6123.3126-159.2-1.4000118.6N45N43-N45 PolarHBondContact OD1-N 3.26Å
44R30.7Very low32.9Very low239 Ų239149.1 Ų149.190%0.90280%0.796SS**  trans-149.779.9143.1-151.8176.4-172.4-176.82.8110.9
45N32.6Very low33.7Very low144 Ų144148.3 Ų148.377%0.7780%0.796SS**  trans-87.2148150.4-99.8-16.1000109.9N43N43-N45 PolarHBondContact OD1-N 3.26Å
46Q31.7Very low34.3Very low173 Ų173151.3 Ų151.381%0.80880%0.801SS**  trans77.9125.9177.5-66.2171.8-19.400113.9
47V29.8Very low34.8Very low129 Ų129152.9 Ų152.978%0.78280%0.8SS**  cis-147.6137.840-170.70000104.8
48I33.5Very low35.8Very low134 Ų134153.6 Ų153.669%0.68780%0.804SS**  -161.4123.177.3-75.5164000108.5Q50I48-Q50 HydrophobicContact CG2-CB 4.13Å
49I46.6Very low36.8Very low163 Ų163155.3 Ų155.384%0.83681%0.808SS**  trans-74.4130.6153.4-68.6165.6000106
50Q36.1Very low37.6Very low162 Ų162155.5 Ų155.576%0.75781%0.809SS**  trans11697.7-171.2-73.3159.3-17.800106.2I48I48-Q50 HydrophobicContact CG2-CB 4.13Å
51E33Very low38.5Very low175 Ų175157.3 Ų157.382%0.81881%0.806SS**  cis-143.4102.447.2-74.2153.1147.800110.5A53E51-A53 PolarHBondContact O-N 3.15Å; E51-A53 VanDerWaalsContact O-N 3.16Å
52A44.5Very low39.8Very low111 Ų111159.4 Ų159.492%0.91781%0.806SS**THydrogen-bonded Turntrans-82.672.3163.900000108.6
53A40.6Very low40.7Very low87 Ų87163.2 Ų163.272%0.71981%0.806SS**THydrogen-bonded Turntrans-16624.917100000115E51E51-A53 PolarHBondContact O-N 3.15Å; E51-A53 VanDerWaalsContact O-N 3.16Å
54E40.2Very low42.8Very low176 Ų176162.7 Ų162.782%0.82280%0.798SS**SBendtrans-149.121.6-178.9-113169.4-140.800116.7
55I45.5Very low45.2Very low176 Ų176155.6 Ų155.690%0.90378%0.783SS**SBendtrans-125.655165.1-46.6178.2000109.5
56E41.8Very low47.5Very low191 Ų191152.1 Ų152.189%0.89376%0.761SS**SBendtrans-127.715.4169.7-127.7175.5-166.400112.8
57N40.6Very low49.9Very low151 Ų151147 Ų14781%0.80774%0.744SS**SBendtrans-13343.5-176.2-137.8-2.7000114.7
58Q48.3Very low52.5Low195 Ų195141 Ų14191%0.91171%0.708SS**SBendtrans-131.514.1160.5-74.2-170300113.8
59N46.8Very low54.7Low158 Ų158141.4 Ų141.485%0.84572%0.716SS**  trans-11065.4166.6-86.7-31.4000109.8E61N59-E61 PolarHBondContact O-N 3.48Å; N59-E61 VanDerWaalsContact O-N 3.07Å
60Q41.7Very low56.3Low187 Ų187137.9 Ų137.987%0.87470%0.703SS**  trans-57.2115.1152.5-97.9177.1-16.900107.8R62Q60-R62 PolarHBondContact O-N 3.35Å
61E45.5Very low58.6Low143 Ų143132.8 Ų132.867%0.66868%0.684SS**  trans-31.7118178.1-56.3-178.9144.400113.6N59 R63N59-E61 PolarHBondContact O-N 3.48Å; N59-E61 VanDerWaalsContact O-N 3.07Å; E61-R63 HydrophobicContact CB-CG 4.2Å; E61-R63 PolarHBondContact O-N 2.82Å; E61-R63 IonicContact OE2-NE 2.87Å
62R56.1Low60.9Low215 Ų215127.1 Ų127.181%0.81167%0.673SS**  trans-65.785.1148.5-74.9-167.8-170.1-140.83.2106.6Q60 K64Q60-R62 PolarHBondContact O-N 3.35Å; R62-K64 PolarHBondContact O-N 2.95Å
63R57.9Low62.8Low192 Ų192127.7 Ų127.773%0.72565%0.654SS**  trans-50120.9171.8-78.3-170.7173.1-168.60.8107.8E61 P65E61-R63 HydrophobicContact CB-CG 4.2Å; E61-R63 PolarHBondContact O-N 2.82Å; E61-R63 IonicContact OE2-NE 2.87Å; R63-P65 WeakPolarHBondContact O-CD 3.37Å
64K76.2Confident65Low116 Ų116126.2 Ų126.250%0.50464%0.639SS.*  trans-110.967.8174.8-72.9173.3176.5-178.60109.2R62 F66 S74 F75R62-K64 PolarHBondContact O-N 2.95Å; K64-F66 PolarHBondContact O-N 3.08Å; K64-F66 VanDerWaalsContact O-N 3.14Å; K64-S74 WeakPolarHBondContact CD-O 3.41Å; K64-F75 CarbonylContact C-O 3.52Å; K64-F75 WeakPolarHBondContact CA-O 3.12Å
65P79.4Confident67.2Low89 Ų89119.8 Ų119.858%0.57861%0.608SS**  trans-71.5-9.3-169.329.7-35.1000113.3R63R63-P65 WeakPolarHBondContact O-CD 3.37Å
66F82.1Confident69.1Low72 Ų72114 Ų11432%0.31658%0.584SS.*EExtended strand (participates in β ladder)trans-105.5103.8-176.6-55.6-72.7000110.3K64 S74 F75 K78 L81K64-F66 PolarHBondContact O-N 3.08Å; K64-F66 VanDerWaalsContact O-N 3.14Å; F66-S74 CarbonylContact O-C 3.51Å; F66-S74 WeakPolarHBondContact O-CA 3.49Å; F66-F75 HydrophobicContact CB-CB 4.41Å; F66-F75 PolarHBondContact N-O 3.04Å; F66-F75 WeakPolarHBondContact O-CD2 3.5Å; F66-F75 PolarHBondContact O-N 3.33Å; F66-K78 HydrophobicContact CD1-CB 4Å; F66-K78 HydrophobicContact CD1-CG 4.26Å; F66-K78 HydrophobicContact CD2-CB 4.3Å; F66-K78 HydrophobicContact CE1-CB 3.8Å; F66-K78 HydrophobicContact CE1-CD 4.39Å; F66-K78 HydrophobicContact CE1-CG 4.2Å; F66-K78 HydrophobicContact CE2-CB 4.1Å; F66-K78 VanDerWaalsContact CE2-N 3.34Å; F66-K78 HydrophobicContact CG-CB 4.24Å; F66-K78 HydrophobicContact CZ-CB 3.86Å; F66-L81 HydrophobicContact CB-CB 4.05Å; F66-L81 HydrophobicContact CB-CD2 3.79Å
67S81.1Confident71.2Confident65 Ų65110.2 Ų110.246%0.45557%0.566SS.*EExtended strand (participates in β ladder)trans-102.7138.5179.253.90000112.6V69 K73S67-V69 PolarHBondContact O-N 3.14Å; S67-K73 CarbonylContact C-O 3.29Å; S67-K73 WeakPolarHBondContact CA-O 3.25Å
68C85.9Confident73.3Confident3 Ų3109.9 Ų109.92%0.0256%0.557CS.*  trans-76.2119.4171.4177.20000110T70 C71 G72 K73 F75 L81 H84 M85C68-T70 VanDerWaalsContact C-N 3.26Å; C68-T70 PolarHBondContact O-N 3.49Å; C68-T70 PolarHBondContact SG-N 3.4Å; C68-C71 VanDerWaalsContact SG-SG 3.66Å; C68-G72 WeakPolarHBondContact O-CA 3.4Å; C68-G72 PolarHBondContact O-N 3.49Å; C68-K73 HydrophobicContact CB-CB 4.5Å; C68-K73 PolarHBondContact N-O 3.41Å; C68-F75 HydrophobicContact CB-CE2 4.23Å; C68-L81 HydrophobicContact CB-CD1 3.64Å; C68-H84 PolarHBondContact SG-NE2 3.38Å; C68-M85 HydrophobicContact CB-SD 4.37Å
69V79.9Confident74.9Confident143 Ų143107.5 Ų107.587%0.86755%0.546SS*.THydrogen-bonded Turntrans-67.3-29179.9-174.70000111.6S67S67-V69 PolarHBondContact O-N 3.14Å
70T79.8Confident76.5Confident89 Ų89101.8 Ų101.855%0.54652%0.519SS..THydrogen-bonded Turntrans-79.8-28.3-176.6-43.90000113.8C68 H88C68-T70 VanDerWaalsContact C-N 3.26Å; C68-T70 PolarHBondContact O-N 3.49Å; C68-T70 PolarHBondContact SG-N 3.4Å; T70-H88 WeakPolarHBondContact CG2-ND1 3.41Å
71C84.6Confident78.5Confident55 Ų5594.2 Ų94.237%0.37248%0.484SS..THydrogen-bonded Turntrans-139.410.2-178.273.20000115.6C68 K73 H84 H88C68-C71 VanDerWaalsContact SG-SG 3.66Å; C71-K73 PolarHBondContact O-N 3.5Å; C71-K73 VanDerWaalsContact O-N 3.11Å; C71-H84 PolarHBondContact SG-CE1 3.49Å; C71-H84 PolarHBondContact SG-NE2 2.88Å; C71-H88 PolarHBondContact SG-NE2 3.17Å
72G80.9Confident80.1Confident56 Ų5691.6 Ų91.658%0.57748%0.478SS*.  trans70.51.5174.700000115.8C68 S74C68-G72 WeakPolarHBondContact O-CA 3.4Å; C68-G72 PolarHBondContact O-N 3.49Å; G72-S74 PolarHBondContact O-N 3.39Å
73K84.9Confident81.2Confident122 Ų12285 Ų8553%0.5346%0.457SS..  trans-70.2130.8-178.1-70.9-176-1751790111.4S67 C68 C71 F75S67-K73 CarbonylContact C-O 3.29Å; S67-K73 WeakPolarHBondContact CA-O 3.25Å; C68-K73 HydrophobicContact CB-CB 4.5Å; C68-K73 PolarHBondContact N-O 3.41Å; C71-K73 PolarHBondContact O-N 3.5Å; C71-K73 VanDerWaalsContact O-N 3.11Å; K73-F75 HydrophobicContact CB-CE2 3.73Å; K73-F75 HydrophobicContact CB-CZ 3.8Å; K73-F75 WeakPolarHBondContact O-CD2 3.5Å; K73-F75 WeakPolarHBondContact O-CE2 3.4Å
74S85.9Confident82.3Confident57 Ų5776.6 Ų76.640%0.39943%0.425SS..EExtended strand (participates in β ladder)trans-103.1140.2-179.6-61.10000112K64 F66 G72K64-S74 WeakPolarHBondContact CD-O 3.41Å; F66-S74 CarbonylContact O-C 3.51Å; F66-S74 WeakPolarHBondContact O-CA 3.49Å; G72-S74 PolarHBondContact O-N 3.39Å
75F86.7Confident82.3Confident40 Ų4074 Ų7418%0.17542%0.416CS..EExtended strand (participates in β ladder)trans-128.2144-173.1-59-88.1000110.5K64 F66 C68 K73 Q77 L81 H84K64-F75 CarbonylContact C-O 3.52Å; K64-F75 WeakPolarHBondContact CA-O 3.12Å; F66-F75 HydrophobicContact CB-CB 4.41Å; F66-F75 PolarHBondContact N-O 3.04Å; F66-F75 WeakPolarHBondContact O-CD2 3.5Å; F66-F75 PolarHBondContact O-N 3.33Å; C68-F75 HydrophobicContact CB-CE2 4.23Å; K73-F75 HydrophobicContact CB-CE2 3.73Å; K73-F75 HydrophobicContact CB-CZ 3.8Å; K73-F75 WeakPolarHBondContact O-CD2 3.5Å; K73-F75 WeakPolarHBondContact O-CE2 3.4Å; F75-Q77 VanDerWaalsContact C-N 3.29Å; F75-L81 HydrophobicContact CB-CB 4.28Å; F75-L81 HydrophobicContact CD2-CB 3.84Å; F75-L81 HydrophobicContact CD2-CD1 3.7Å; F75-L81 HydrophobicContact CD2-CG 4.35Å; F75-L81 HydrophobicContact CE2-CD1 3.78Å; F75-L81 HydrophobicContact CG-CB 4.2Å; F75-H84 HydrophobicContact CE1-CB 3.89Å; F75-H84 HydrophobicContact CE2-CB 3.93Å; F75-H84 AromaticContact CE2-CD2 3.52Å; F75-H84 AromaticContact CE2-CG 3.67Å; F75-H84 HydrophobicContact CZ-CB 3.42Å; F75-H84 VanDerWaalsContact CZ-CB 3.42Å; F75-H84 AromaticContact CZ-CD2 3.53Å; F75-H84 AromaticContact CZ-CG 3.19Å; F75-H84 AromaticContact CZ-ND1 3.62Å
76S86Confident82.3Confident56 Ų5671 Ų7139%0.39239%0.394SS..SBendtrans-76.7-17.2178.351.40000113.2
77Q85.7Confident82Confident111 Ų11171.5 Ų71.552%0.51940%0.399SS..SBendtrans-135.6140.5-177.8-64.7175.91.600110.4F75 Q79 S80 L81F75-Q77 VanDerWaalsContact C-N 3.29Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.2Å; Q77-S80 WeakPolarHBondContact O-CB 3.29Å; Q77-S80 PolarHBondContact O-N 2.92Å; Q77-S80 VanDerWaalsContact O-N 3.13Å; Q77-L81 PolarHBondContact O-N 3.23Å
78K83.4Confident81.8Confident143 Ų14372.1 Ų72.162%0.62240%0.395SS*.Hα-helixtrans-58.2-40.8177.5-171.3176.4179.7179.20111.6F66 S80 L81 T82F66-K78 HydrophobicContact CD1-CB 4Å; F66-K78 HydrophobicContact CD1-CG 4.26Å; F66-K78 HydrophobicContact CD2-CB 4.3Å; F66-K78 HydrophobicContact CE1-CB 3.8Å; F66-K78 HydrophobicContact CE1-CD 4.39Å; F66-K78 HydrophobicContact CE1-CG 4.2Å; F66-K78 HydrophobicContact CE2-CB 4.1Å; F66-K78 VanDerWaalsContact CE2-N 3.34Å; F66-K78 HydrophobicContact CG-CB 4.24Å; F66-K78 HydrophobicContact CZ-CB 3.86Å; K78-S80 VanDerWaalsContact C-N 3.29Å; K78-S80 PolarHBondContact O-N 3.23Å; K78-L81 WeakPolarHBondContact O-CB 3.21Å; K78-L81 PolarHBondContact O-N 3.44Å; K78-L81 VanDerWaalsContact O-N 3.1Å; K78-T82 PolarHBondContact O-N 3.37Å; K78-T82 PolarHBondContact O-OG1 3.41Å; K78-T82 VanDerWaalsContact O-OG1 3.08Å
79Q81.7Confident81.3Confident146 Ų14675.6 Ų75.668%0.68242%0.416SS*.Hα-helixtrans-59.1-38.3177.4-171.2179.719.800112.5Q77 T82 Q83Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.2Å; Q79-T82 PolarHBondContact O-N 3.31Å; Q79-Q83 VanDerWaalsContact O-CB 3.27Å; Q79-Q83 WeakPolarHBondContact O-CB 3.3Å; Q79-Q83 PolarHBondContact O-N 2.98Å
80S81.7Confident80.8Confident37 Ų3770.9 Ų70.926%0.25940%0.397SS..Hα-helixtrans-68.2-36.1176.6-52.60000112.2Q77 K78 H84Q77-S80 WeakPolarHBondContact O-CB 3.29Å; Q77-S80 PolarHBondContact O-N 2.92Å; Q77-S80 VanDerWaalsContact O-N 3.13Å; K78-S80 VanDerWaalsContact C-N 3.29Å; K78-S80 PolarHBondContact O-N 3.23Å; S80-H84 WeakPolarHBondContact O-CB 3.35Å; S80-H84 PolarHBondContact O-N 2.78Å
81L82.3Confident80.5Confident29 Ų2972.2 Ų72.215%0.15240%0.397CS..Hα-helixtrans-66.5-48.7171.6174.661.4000110.7F66 C68 F75 Q77 K78 Q83 H84 M85F66-L81 HydrophobicContact CB-CB 4.05Å; F66-L81 HydrophobicContact CB-CD2 3.79Å; C68-L81 HydrophobicContact CB-CD1 3.64Å; F75-L81 HydrophobicContact CB-CB 4.28Å; F75-L81 HydrophobicContact CD2-CB 3.84Å; F75-L81 HydrophobicContact CD2-CD1 3.7Å; F75-L81 HydrophobicContact CD2-CG 4.35Å; F75-L81 HydrophobicContact CE2-CD1 3.78Å; F75-L81 HydrophobicContact CG-CB 4.2Å; Q77-L81 PolarHBondContact O-N 3.23Å; K78-L81 WeakPolarHBondContact O-CB 3.21Å; K78-L81 PolarHBondContact O-N 3.44Å; K78-L81 VanDerWaalsContact O-N 3.1Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 2.98Å; L81-H84 CarbonylContact O-C 3.58Å; L81-H84 WeakPolarHBondContact O-CA 3.46Å; L81-H84 WeakPolarHBondContact O-CB 3.37Å; L81-H84 PolarHBondContact O-N 3.16Å; L81-M85 HydrophobicContact CD1-CG 4.31Å; L81-M85 HydrophobicContact CD1-SD 4.14Å; L81-M85 WeakPolarHBondContact O-CG 3.27Å; L81-M85 PolarHBondContact O-N 3.47Å
82T80.5Confident80Confident87 Ų8777 Ų7753%0.53441%0.407SS..Hα-helixtrans-55.6-44.9176.6-550000111.4K78 Q79 H84 M85K78-T82 PolarHBondContact O-N 3.37Å; K78-T82 PolarHBondContact O-OG1 3.41Å; K78-T82 VanDerWaalsContact O-OG1 3.08Å; Q79-T82 PolarHBondContact O-N 3.31Å; T82-H84 VanDerWaalsContact C-N 3.32Å; T82-H84 PolarHBondContact O-N 2.91Å; T82-M85 PolarHBondContact O-N 3.34Å
83Q78.1Confident79.7Confident78 Ų7881.4 Ų81.436%0.36441%0.412SS..Hα-helixtrans-63.9-37.7175.1178.6-174.7-13.500113Q79 L81 M86 L105Q79-Q83 VanDerWaalsContact O-CB 3.27Å; Q79-Q83 WeakPolarHBondContact O-CB 3.3Å; Q79-Q83 PolarHBondContact O-N 2.98Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 2.98Å; Q83-M86 HydrophobicContact CB-CE 4Å; Q83-M86 HydrophobicContact CG-CE 3.71Å; Q83-M86 WeakPolarHBondContact O-CB 3.34Å; Q83-M86 PolarHBondContact O-N 3.24Å; Q83-L105 VanDerWaalsContact CD-CD2 3.46Å; Q83-L105 HydrophobicContact CG-CD2 3.8Å
84H81.2Confident79.5Confident15 Ų1578.3 Ų78.37%0.06940%0.399CS..Hα-helixtrans-68.3-33.7175.8168.973.6000112.4C68 C71 F75 S80 L81 T82 M86 I87 H88C68-H84 PolarHBondContact SG-NE2 3.38Å; C71-H84 PolarHBondContact SG-CE1 3.49Å; C71-H84 PolarHBondContact SG-NE2 2.88Å; F75-H84 HydrophobicContact CE1-CB 3.89Å; F75-H84 HydrophobicContact CE2-CB 3.93Å; F75-H84 AromaticContact CE2-CD2 3.52Å; F75-H84 AromaticContact CE2-CG 3.67Å; F75-H84 HydrophobicContact CZ-CB 3.42Å; F75-H84 VanDerWaalsContact CZ-CB 3.42Å; F75-H84 AromaticContact CZ-CD2 3.53Å; F75-H84 AromaticContact CZ-CG 3.19Å; F75-H84 AromaticContact CZ-ND1 3.62Å; S80-H84 WeakPolarHBondContact O-CB 3.35Å; S80-H84 PolarHBondContact O-N 2.78Å; L81-H84 CarbonylContact O-C 3.58Å; L81-H84 WeakPolarHBondContact O-CA 3.46Å; L81-H84 WeakPolarHBondContact O-CB 3.37Å; L81-H84 PolarHBondContact O-N 3.16Å; T82-H84 VanDerWaalsContact C-N 3.32Å; T82-H84 PolarHBondContact O-N 2.91Å; H84-M86 PolarHBondContact O-N 2.95Å; H84-I87 WeakPolarHBondContact O-CB 3.48Å; H84-I87 WeakPolarHBondContact O-CG1 3.27Å; H84-I87 PolarHBondContact O-N 3.36Å; H84-H88 AromaticContact CE1-NE2 3.9Å; H84-H88 AromaticContact NE2-CD2 3.97Å; H84-H88 AromaticContact NE2-NE2 3.46Å; H84-H88 PolarHBondContact NE2-NE2 3.29Å
85M77.3Confident79.3Confident61 Ų6179 Ų7930%0.340%0.403SS..Hα-helixtrans-61.6-27.8176-66.6-51.2-6700112.6C68 L81 T82 I87 H88 T89C68-M85 HydrophobicContact CB-SD 4.37Å; L81-M85 HydrophobicContact CD1-CG 4.31Å; L81-M85 HydrophobicContact CD1-SD 4.14Å; L81-M85 WeakPolarHBondContact O-CG 3.27Å; L81-M85 PolarHBondContact O-N 3.47Å; T82-M85 PolarHBondContact O-N 3.34Å; M85-I87 PolarHBondContact O-N 3.26Å; M85-H88 PolarHBondContact O-N 3.23Å; M85-T89 PolarHBondContact O-N 3Å; M85-T89 PolarHBondContact O-OG1 3.17Å
86M78.3Confident79.1Confident27 Ų2777.1 Ų77.113%0.13340%0.396CS..Hα-helixtrans-60.3-14.9171.9-61-168.3-84.100113.9Q83 H84 T89 G90 R104 L105Q83-M86 HydrophobicContact CB-CE 4Å; Q83-M86 HydrophobicContact CG-CE 3.71Å; Q83-M86 WeakPolarHBondContact O-CB 3.34Å; Q83-M86 PolarHBondContact O-N 3.24Å; H84-M86 PolarHBondContact O-N 2.95Å; M86-T89 WeakPolarHBondContact CA-OG1 3.44Å; M86-G90 PolarHBondContact O-N 2.88Å; M86-R104 HydrophobicContact CE-CB 4.35Å; M86-L105 HydrophobicContact CE-CD2 4.44Å
87I75.3Confident78.8Confident81 Ų8181.2 Ų81.242%0.41542%0.418SS..Hα-helixtrans-73-38.4171.9-54.5-175000110.7H84 M85H84-I87 WeakPolarHBondContact O-CB 3.48Å; H84-I87 WeakPolarHBondContact O-CG1 3.27Å; H84-I87 PolarHBondContact O-N 3.36Å; M85-I87 PolarHBondContact O-N 3.26Å
88H77Confident78.4Confident78 Ų7880.3 Ų80.336%0.36142%0.42SS..Hα-helixtrans-82.3-39.4-178.2-64.8-66.1000111.9T70 C71 H84 M85 G90T70-H88 WeakPolarHBondContact CG2-ND1 3.41Å; C71-H88 PolarHBondContact SG-NE2 3.17Å; H84-H88 AromaticContact CE1-NE2 3.9Å; H84-H88 AromaticContact NE2-CD2 3.97Å; H84-H88 AromaticContact NE2-NE2 3.46Å; H84-H88 PolarHBondContact NE2-NE2 3.29Å; M85-H88 PolarHBondContact O-N 3.23Å; H88-G90 VanDerWaalsContact C-N 3.3Å
89T77.1Confident78.3Confident77 Ų7776 Ų7647%0.47241%0.408SS..Hα-helixtrans-78.2-16.1177.962.80000112.9M85 M86 E91M85-T89 PolarHBondContact O-N 3Å; M85-T89 PolarHBondContact O-OG1 3.17Å; M86-T89 WeakPolarHBondContact CA-OG1 3.44Å; T89-E91 PolarHBondContact O-N 3.29Å; T89-E91 WeakPolarHBondContact OG1-CG 3.41Å; T89-E91 PolarHBondContact OG1-OE2 3.28Å
90G69.4Low78.2Confident44 Ų4471.7 Ų71.745%0.45440%0.402SS..  trans72.32.3-178.200000114.4M86 H88M86-G90 PolarHBondContact O-N 2.88Å; H88-G90 VanDerWaalsContact C-N 3.3Å
91E72.8Confident78.1Confident117 Ų11776 Ų7655%0.54742%0.416SS..  trans-61.3132.6-178.2-70.8170.1164.700111.7T89T89-E91 PolarHBondContact O-N 3.29Å; T89-E91 WeakPolarHBondContact OG1-CG 3.41Å; T89-E91 PolarHBondContact OG1-OE2 3.28Å
92R74.8Confident78.1Confident156 Ų15676.9 Ų76.959%0.58943%0.425SS*.  trans-131.492.8-179.9-64.7170.3-174.6169.23.9109F94 S102 V103 R104R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 2.86Å; R92-S102 VanDerWaalsContact CB-CB 3.41Å; R92-S102 WeakPolarHBondContact CD-O 3.46Å; R92-V103 CarbonylContact C-O 3.5Å; R92-R104 HydrophobicContact CG-CG 4.38Å
93Q74.4Confident78.1Confident147 Ų14774.2 Ų74.269%0.68741%0.408SS*.  trans-74.5-20.2-169.4-164.6176.116.100114.3V103Q93-V103 PolarHBondContact N-O 3.43Å
94F79.5Confident78.2Confident58 Ų5875 Ų7525%0.25441%0.408SS..EExtended strand (participates in β ladder)trans-118.9115-173.6-57.5-80.1000110.5R92 S102 V103 K106 L109R92-F94 VanDerWaalsContact C-N 3.34Å; R92-F94 PolarHBondContact O-N 2.86Å; F94-S102 CarbonylContact O-C 3.54Å; F94-S102 VanDerWaalsContact O-CA 3.3Å; F94-S102 WeakPolarHBondContact O-CA 3.35Å; F94-V103 HydrophobicContact CB-CG2 4.01Å; F94-V103 PolarHBondContact N-O 2.99Å; F94-V103 VanDerWaalsContact N-O 3.09Å; F94-V103 WeakPolarHBondContact O-CG2 3.25Å; F94-V103 PolarHBondContact O-N 2.79Å; F94-K106 HydrophobicContact CD1-CB 4.15Å; F94-K106 HydrophobicContact CE1-CB 3.94Å; F94-K106 HydrophobicContact CE1-CG 4.4Å; F94-K106 HydrophobicContact CE2-CB 4.31Å; F94-K106 HydrophobicContact CG-CB 4.44Å; F94-K106 HydrophobicContact CZ-CB 4.03Å; F94-L109 HydrophobicContact CB-CB 4.28Å; F94-L109 HydrophobicContact CB-CD2 3.87Å
95S81.5Confident78.3Confident70 Ų7076.3 Ų76.349%0.4942%0.415SS..EExtended strand (participates in β ladder)trans-105.4142.318053.90000112.3
96C84.1Confident78.5Confident2 Ų280.3 Ų80.31%0.01443%0.431CS..  trans-80.3117.8170.7177.20000109.7T98 C99 G100 K101 L109 H112 M113 H116C96-T98 PolarHBondContact O-N 3.14Å; C96-C99 PolarHBondContact O-N 2.86Å; C96-G100 VanDerWaalsContact O-CA 3.23Å; C96-G100 WeakPolarHBondContact O-CA 3.43Å; C96-G100 PolarHBondContact O-N 2.79Å; C96-K101 HydrophobicContact CB-CB 4.42Å; C96-K101 WeakPolarHBondContact CB-O 3.34Å; C96-K101 PolarHBondContact N-O 3.03Å; C96-L109 HydrophobicContact CB-CD1 3.74Å; C96-H112 PolarHBondContact SG-NE2 3.47Å; C96-H112 VanDerWaalsContact SG-NE2 3.43Å; C96-M113 HydrophobicContact CB-SD 4.38Å; C96-H116 PolarHBondContact SG-NE2 2.84Å; C96-H116 VanDerWaalsContact SG-NE2 3.38Å
97V78Confident78.7Confident142 Ų14286.6 Ų86.686%0.86146%0.46SS*.THydrogen-bonded Turntrans-64-30.8178.8-175.50000111.9
98T78.1Confident79.1Confident92 Ų9284.8 Ų84.856%0.56445%0.451SS*.THydrogen-bonded Turntrans-76.9-30.6-176.6-440000114C96 H116C96-T98 PolarHBondContact O-N 3.14Å; T98-H116 HydrophobicContact CG2-CB 4.34Å
99C82.3Confident79.5Confident53 Ų5382.4 Ų82.436%0.35844%0.441SS..THydrogen-bonded Turntrans-138.810.1-174.773.80000114.9C96 K101 H112 H116C96-C99 PolarHBondContact O-N 2.86Å; C99-K101 PolarHBondContact O-N 2.83Å; C99-H112 PolarHBondContact SG-NE2 3.43Å; C99-H116 PolarHBondContact SG-NE2 3.06Å; C99-H116 VanDerWaalsContact SG-NE2 3.39Å
100G78.5Confident79.9Confident55 Ų5582.5 Ų82.557%0.56744%0.442SS*.  trans68.41.1177.600000115.5C96 S102C96-G100 VanDerWaalsContact O-CA 3.23Å; C96-G100 WeakPolarHBondContact O-CA 3.43Å; C96-G100 PolarHBondContact O-N 2.79Å; G100-S102 PolarHBondContact O-N 3.4Å
101K79.8Confident80.6Confident127 Ų12785.7 Ų85.755%0.55244%0.44SS*.  trans-70.1119.5-178-75.3-178.1-176.4174.10111.4C96 C99C96-K101 HydrophobicContact CB-CB 4.42Å; C96-K101 WeakPolarHBondContact CB-O 3.34Å; C96-K101 PolarHBondContact N-O 3.03Å; C99-K101 PolarHBondContact O-N 2.83Å
102S81.6Confident81.3Confident48 Ų4881.3 Ų81.334%0.33642%0.419SS..EExtended strand (participates in β ladder)trans-92.6139.2174.2-45.60000111.9R92 F94 G100R92-S102 VanDerWaalsContact CB-CB 3.41Å; R92-S102 WeakPolarHBondContact CD-O 3.46Å; F94-S102 CarbonylContact O-C 3.54Å; F94-S102 VanDerWaalsContact O-CA 3.3Å; F94-S102 WeakPolarHBondContact O-CA 3.35Å; G100-S102 PolarHBondContact O-N 3.4Å
103V81.1Confident81.7Confident30 Ų3076.6 Ų76.618%0.18240%0.404CS..EExtended strand (participates in β ladder)trans-131159.5178.7-62.20000109.9R92 Q93 F94 L105 D108 L109R92-V103 CarbonylContact C-O 3.5Å; Q93-V103 PolarHBondContact N-O 3.43Å; F94-V103 HydrophobicContact CB-CG2 4.01Å; F94-V103 PolarHBondContact N-O 2.99Å; F94-V103 VanDerWaalsContact N-O 3.09Å; F94-V103 WeakPolarHBondContact O-CG2 3.25Å; F94-V103 PolarHBondContact O-N 2.79Å; V103-L105 WeakPolarHBondContact CG2-O 3.41Å; V103-D108 HydrophobicContact CB-CB 4.21Å; V103-D108 HydrophobicContact CG2-CB 4.24Å; V103-L109 HydrophobicContact CG2-CB 3.56Å; V103-L109 HydrophobicContact CG2-CD1 4.32Å; V103-L109 HydrophobicContact CG2-CG 4.47Å
104R80.9Confident82.4Confident94 Ų9472.4 Ų72.436%0.35538%0.382SS..SBendtrans-81.2-23-174.8-55.4179.8-168.3139.5-0.7112.7M86 R92M86-R104 HydrophobicContact CE-CB 4.35Å; R92-R104 HydrophobicContact CG-CG 4.38Å
105L81.6Confident82.6Confident43 Ų4375.3 Ų75.323%0.22540%0.4CS..  trans-128.2141.1-175.2-60.6173.1000112.4Q83 M86 V103 Q107 D108 L109Q83-L105 VanDerWaalsContact CD-CD2 3.46Å; Q83-L105 HydrophobicContact CG-CD2 3.8Å; M86-L105 HydrophobicContact CE-CD2 4.44Å; V103-L105 WeakPolarHBondContact CG2-O 3.41Å; L105-Q107 VanDerWaalsContact C-N 3.3Å; L105-Q107 PolarHBondContact O-N 2.93Å; L105-D108 HydrophobicContact CB-CB 4.25Å; L105-D108 WeakPolarHBondContact O-CB 3.23Å; L105-D108 PolarHBondContact O-N 2.94Å; L105-D108 VanDerWaalsContact O-N 3.1Å; L105-L109 PolarHBondContact O-N 3.17Å; L105-L109 VanDerWaalsContact O-N 3.1Å
106K81.9Confident82.7Confident146 Ų14675.5 Ų75.564%0.63539%0.392SS*.Hα-helixtrans-56.2-42.3173.3-170.5175.2-179.91780112.5F94 D108 L109 T110F94-K106 HydrophobicContact CD1-CB 4.15Å; F94-K106 HydrophobicContact CE1-CB 3.94Å; F94-K106 HydrophobicContact CE1-CG 4.4Å; F94-K106 HydrophobicContact CE2-CB 4.31Å; F94-K106 HydrophobicContact CG-CB 4.44Å; F94-K106 HydrophobicContact CZ-CB 4.03Å; K106-D108 VanDerWaalsContact C-N 3.3Å; K106-D108 PolarHBondContact O-N 3.44Å; K106-L109 WeakPolarHBondContact O-CA 3.29Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 3.07Å; K106-L109 VanDerWaalsContact O-N 3.09Å; K106-T110 PolarHBondContact O-N 2.96Å; K106-T110 PolarHBondContact O-OG1 3.31Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å
107Q83.2Confident82.7Confident159 Ų15979.1 Ų79.174%0.74341%0.414SS*.Hα-helixtrans-62.6-35.7177.8-64.7-179.6-1.200112.8L105 L109 R111L105-Q107 VanDerWaalsContact C-N 3.3Å; L105-Q107 PolarHBondContact O-N 2.93Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; Q107-R111 WeakPolarHBondContact O-CB 3.39Å; Q107-R111 PolarHBondContact O-N 2.77Å
108D83.9Confident83Confident43 Ų4374.4 Ų74.423%0.2340%0.395CS..Hα-helixtrans-69.6-34.3175.6-69.3-31.2000111V103 L105 K106 R111 H112V103-D108 HydrophobicContact CB-CB 4.21Å; V103-D108 HydrophobicContact CG2-CB 4.24Å; L105-D108 HydrophobicContact CB-CB 4.25Å; L105-D108 WeakPolarHBondContact O-CB 3.23Å; L105-D108 PolarHBondContact O-N 2.94Å; L105-D108 VanDerWaalsContact O-N 3.1Å; K106-D108 VanDerWaalsContact C-N 3.3Å; K106-D108 PolarHBondContact O-N 3.44Å; D108-R111 IonicContact OD1-CZ 3.13Å; D108-R111 IonicContact OD1-NH1 3.31Å; D108-R111 PolarHBondContact OD1-NH1 3.37Å; D108-R111 IonicContact OD1-NH2 2.63Å; D108-R111 PolarHBondContact OD1-NH2 2.85Å; D108-H112 WeakPolarHBondContact O-CB 3.45Å; D108-H112 PolarHBondContact O-N 3.11Å
109L85.1Confident83.4Confident28 Ų2875.1 Ų75.115%0.14739%0.392CS..Hα-helixtrans-66.5-49.8174-176.958.8000110F94 C96 V103 L105 K106 Q107 R111 H112 M113F94-L109 HydrophobicContact CB-CB 4.28Å; F94-L109 HydrophobicContact CB-CD2 3.87Å; C96-L109 HydrophobicContact CB-CD1 3.74Å; V103-L109 HydrophobicContact CG2-CB 3.56Å; V103-L109 HydrophobicContact CG2-CD1 4.32Å; V103-L109 HydrophobicContact CG2-CG 4.47Å; L105-L109 PolarHBondContact O-N 3.17Å; L105-L109 VanDerWaalsContact O-N 3.1Å; K106-L109 WeakPolarHBondContact O-CA 3.29Å; K106-L109 WeakPolarHBondContact O-CB 3.48Å; K106-L109 PolarHBondContact O-N 3.07Å; K106-L109 VanDerWaalsContact O-N 3.09Å; Q107-L109 VanDerWaalsContact C-N 3.32Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 3.06Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.35Å; L109-H112 WeakPolarHBondContact O-CB 3.46Å; L109-H112 PolarHBondContact O-N 3.28Å; L109-M113 HydrophobicContact CD1-SD 4.29Å; L109-M113 WeakPolarHBondContact O-CG 3.42Å; L109-M113 PolarHBondContact O-N 2.92Å
110T84.5Confident83.8Confident79 Ų7978.6 Ų78.649%0.48540%0.401SS..Hα-helixtrans-55.5-43.1175.8-53.50000111.7K106 M113K106-T110 PolarHBondContact O-N 2.96Å; K106-T110 PolarHBondContact O-OG1 3.31Å; K106-T110 VanDerWaalsContact O-OG1 3.11Å; T110-M113 PolarHBondContact O-N 3.43Å
111R85.9Confident84.3Confident111 Ų11179.4 Ų79.442%0.41940%0.396SS..Hα-helixtrans-66-38.1175.3-176.1176.471.4-153.9-1.6112.5Q107 D108 L109 R114 L133Q107-R111 WeakPolarHBondContact O-CB 3.39Å; Q107-R111 PolarHBondContact O-N 2.77Å; D108-R111 IonicContact OD1-CZ 3.13Å; D108-R111 IonicContact OD1-NH1 3.31Å; D108-R111 PolarHBondContact OD1-NH1 3.37Å; D108-R111 IonicContact OD1-NH2 2.63Å; D108-R111 PolarHBondContact OD1-NH2 2.85Å; L109-R111 VanDerWaalsContact C-N 3.27Å; L109-R111 PolarHBondContact O-N 3.06Å; R111-R114 WeakPolarHBondContact O-CB 3.2Å; R111-R114 PolarHBondContact O-N 3.03Å; R111-L133 HydrophobicContact CG-CD2 3.4Å
112H85.9Confident84.8Confident25 Ų2576.2 Ų76.212%0.11638%0.383CS..Hα-helixtrans-65.9-38.5176169.970.1000111.8C96 C99 D108 L109 R114 I115 H116C96-H112 PolarHBondContact SG-NE2 3.47Å; C96-H112 VanDerWaalsContact SG-NE2 3.43Å; C99-H112 PolarHBondContact SG-NE2 3.43Å; D108-H112 WeakPolarHBondContact O-CB 3.45Å; D108-H112 PolarHBondContact O-N 3.11Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.35Å; L109-H112 WeakPolarHBondContact O-CB 3.46Å; L109-H112 PolarHBondContact O-N 3.28Å; H112-R114 PolarHBondContact O-N 3.25Å; H112-R114 VanDerWaalsContact O-N 3.13Å; H112-I115 VanDerWaalsContact O-CB 3.29Å; H112-I115 WeakPolarHBondContact O-CB 3.48Å; H112-I115 WeakPolarHBondContact O-CG1 3.38Å; H112-I115 PolarHBondContact O-N 3.08Å; H112-H116 AromaticContact CE1-NE2 3.77Å; H112-H116 AromaticContact NE2-CD2 3.95Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.38Å
113M84Confident85.2Confident56 Ų5677.3 Ų77.328%0.27639%0.39SS..Hα-helixtrans-58.4-27178.6-67.7-49.8-67.600113.2C96 L109 T110 I115 H116 T117C96-M113 HydrophobicContact CB-SD 4.38Å; L109-M113 HydrophobicContact CD1-SD 4.29Å; L109-M113 WeakPolarHBondContact O-CG 3.42Å; L109-M113 PolarHBondContact O-N 2.92Å; T110-M113 PolarHBondContact O-N 3.43Å; M113-I115 PolarHBondContact O-N 2.88Å; M113-I115 VanDerWaalsContact O-N 3.09Å; M113-H116 PolarHBondContact O-N 2.78Å; M113-T117 PolarHBondContact O-N 2.77Å; M113-T117 PolarHBondContact O-OG1 2.84Å
114R88.4Confident85.7Confident59 Ų5976 Ų7622%0.22338%0.382CS..Hα-helixtrans-59.7-19.3173.6-59.8-177.6-174163.62.9114.3R111 H112 H116 T117 G118 E119 S132R111-R114 WeakPolarHBondContact O-CB 3.2Å; R111-R114 PolarHBondContact O-N 3.03Å; H112-R114 PolarHBondContact O-N 3.25Å; H112-R114 VanDerWaalsContact O-N 3.13Å; R114-H116 VanDerWaalsContact C-N 3.34Å; R114-T117 WeakPolarHBondContact CA-OG1 3.48Å; R114-G118 WeakPolarHBondContact O-CA 3.43Å; R114-G118 PolarHBondContact O-N 2.79Å; R114-G118 VanDerWaalsContact O-N 3.14Å; R114-E119 HydrophobicContact CB-CB 4.37Å; R114-E119 HydrophobicContact CG-CB 4.17Å; R114-S132 PolarHBondContact NH1-O 2.9Å
115I83.7Confident86.1Confident120 Ų12078.5 Ų78.562%0.61541%0.408SS*.Hα-helixtrans-69.9-37.4173.4-60.2175.1000110.2H112 M113H112-I115 VanDerWaalsContact O-CB 3.29Å; H112-I115 WeakPolarHBondContact O-CB 3.48Å; H112-I115 WeakPolarHBondContact O-CG1 3.38Å; H112-I115 PolarHBondContact O-N 3.08Å; M113-I115 PolarHBondContact O-N 2.88Å; M113-I115 VanDerWaalsContact O-N 3.09Å
116H84.6Confident86.3Confident73 Ų7381.5 Ų81.534%0.33843%0.428SS..Hα-helixtrans-85.2-42.3-178.7-56.1-55000111.7C96 T98 C99 H112 M113 R114 G118C96-H116 PolarHBondContact SG-NE2 2.84Å; C96-H116 VanDerWaalsContact SG-NE2 3.38Å; T98-H116 HydrophobicContact CG2-CB 4.34Å; C99-H116 PolarHBondContact SG-NE2 3.06Å; C99-H116 VanDerWaalsContact SG-NE2 3.39Å; H112-H116 AromaticContact CE1-NE2 3.77Å; H112-H116 AromaticContact NE2-CD2 3.95Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.38Å; M113-H116 PolarHBondContact O-N 2.78Å; R114-H116 VanDerWaalsContact C-N 3.34Å; H116-G118 VanDerWaalsContact C-N 3.27Å; H116-G118 PolarHBondContact O-N 3.14Å
117T84.7Confident86.6Confident78 Ų7877.1 Ų77.148%0.47942%0.415SS..Hα-helixtrans-78.1-12.9-179.963.90000113.2M113 R114 E119M113-T117 PolarHBondContact O-N 2.77Å; M113-T117 PolarHBondContact O-OG1 2.84Å; R114-T117 WeakPolarHBondContact CA-OG1 3.48Å; T117-E119 PolarHBondContact O-N 3.2Å; T117-E119 VanDerWaalsContact O-N 3.17Å; T117-E119 WeakPolarHBondContact OG1-CG 3.28Å
118G83.9Confident86.7Confident44 Ų4472.2 Ų72.245%0.45441%0.407SS..  trans70.83.1-177.100000114.4R114 H116 K120R114-G118 WeakPolarHBondContact O-CA 3.43Å; R114-G118 PolarHBondContact O-N 2.79Å; R114-G118 VanDerWaalsContact O-N 3.14Å; H116-G118 VanDerWaalsContact C-N 3.27Å; H116-G118 PolarHBondContact O-N 3.14Å; G118-K120 WeakPolarHBondContact O-CG 3.34Å; G118-K120 PolarHBondContact O-N 2.77Å
119E86.8Confident86.8Confident106 Ų10676.2 Ų76.250%0.49542%0.422SS..  trans-57.3125.2-179.3-78.2173.8-153.400112.1R114 T117R114-E119 HydrophobicContact CB-CB 4.37Å; R114-E119 HydrophobicContact CG-CB 4.17Å; T117-E119 PolarHBondContact O-N 3.2Å; T117-E119 VanDerWaalsContact O-N 3.17Å; T117-E119 WeakPolarHBondContact OG1-CG 3.28Å
120K88.9Confident87.1Confident127 Ų12777.2 Ų77.255%0.55243%0.432SS*.  trans-127.877.5179-71.9165179.4-179.60110.1G118 F122 S130 F131G118-K120 WeakPolarHBondContact O-CG 3.34Å; G118-K120 PolarHBondContact O-N 2.77Å; K120-F122 PolarHBondContact O-N 2.81Å; K120-F122 VanDerWaalsContact O-N 3.09Å; K120-S130 VanDerWaalsContact CB-CB 3.5Å; K120-S130 WeakPolarHBondContact CD-O 3.37Å; K120-F131 CarbonylContact C-O 3.24Å; K120-F131 VanDerWaalsContact C-O 3.29Å; K120-F131 WeakPolarHBondContact CA-O 3.23Å
121P89.4Confident87.4Confident72 Ų7275.4 Ų75.447%0.46842%0.417SS..  trans-67.7-12.4-171-21.934.7000114.9
122F91.9Very high87.6Confident60 Ų6071.9 Ų71.926%0.26341%0.409SS..EExtended strand (participates in β ladder)trans-112.1101.8-173.4-55.4-76.4000110.2K120 S130 F131 K134 L137K120-F122 PolarHBondContact O-N 2.81Å; K120-F122 VanDerWaalsContact O-N 3.09Å; F122-S130 CarbonylContact O-C 3.41Å; F122-S130 WeakPolarHBondContact O-CA 3.35Å; F122-F131 WeakPolarHBondContact CD2-O 3.46Å; F122-F131 PolarHBondContact N-O 3.22Å; F122-F131 VanDerWaalsContact N-O 3.1Å; F122-F131 PolarHBondContact O-N 3.28Å; F122-K134 HydrophobicContact CD1-CB 3.95Å; F122-K134 HydrophobicContact CD1-CG 4.28Å; F122-K134 HydrophobicContact CD2-CB 4.45Å; F122-K134 VanDerWaalsContact CD2-N 3.25Å; F122-K134 HydrophobicContact CE1-CB 3.76Å; F122-K134 HydrophobicContact CE1-CD 4.49Å; F122-K134 HydrophobicContact CE1-CG 4.26Å; F122-K134 HydrophobicContact CE2-CB 4.28Å; F122-K134 VanDerWaalsContact CE2-N 3.34Å; F122-K134 HydrophobicContact CG-CB 4.28Å; F122-K134 HydrophobicContact CZ-CB 3.93Å; F122-L137 HydrophobicContact CB-CB 4.07Å; F122-L137 HydrophobicContact CB-CD2 3.81Å
123S89.2Confident87.7Confident70 Ų7071.9 Ų71.949%0.4941%0.41SS..EExtended strand (participates in β ladder)trans-96.6145179.652.10000112.7L137S123-L137 WeakPolarHBondContact O-CD2 3.42Å
124C91.6Very high87.9Confident2 Ų276 Ų761%0.01443%0.426CS..  trans-86119.7170.5177.90000109.5T126 C127 G128 K129 F131 L137 H140 H144C124-T126 VanDerWaalsContact C-N 3.27Å; C124-T126 PolarHBondContact O-N 3.32Å; C124-C127 VanDerWaalsContact SG-SG 3.69Å; C124-G128 WeakPolarHBondContact O-CA 3.37Å; C124-G128 PolarHBondContact O-N 3.35Å; C124-K129 WeakPolarHBondContact CB-O 3.34Å; C124-K129 PolarHBondContact N-O 3.21Å; C124-F131 HydrophobicContact CB-CE2 4.38Å; C124-L137 HydrophobicContact CB-CD1 3.63Å; C124-H140 VanDerWaalsContact SG-CD2 3.59Å; C124-H140 PolarHBondContact SG-NE2 3.29Å; C124-H144 PolarHBondContact SG-NE2 2.86Å; C124-H144 VanDerWaalsContact SG-NE2 3.45Å
125V88.8Confident87.8Confident148 Ų14881.5 Ų81.590%0.89745%0.447SS*.THydrogen-bonded Turntrans-65.7-32.4-179.3-155.90000111.7
126T86.1Confident88.1Confident105 Ų10577.5 Ų77.564%0.64443%0.427SS*.THydrogen-bonded Turntrans-72.5-32.9-176.9-42.70000113.9C124 H144C124-T126 VanDerWaalsContact C-N 3.27Å; C124-T126 PolarHBondContact O-N 3.32Å; T126-H144 HydrophobicContact CG2-CB 4.33Å
127C87.3Confident88.4Confident54 Ų5475 Ų7537%0.36542%0.416SS..THydrogen-bonded Turntrans-136.98.5-174.274.10000114.9C124 K129 H140C124-C127 VanDerWaalsContact SG-SG 3.69Å; C127-K129 PolarHBondContact O-N 3.13Å; C127-H140 PolarHBondContact SG-NE2 3.5Å
128G85.8Confident88.5Confident56 Ų5675.1 Ų75.158%0.57742%0.417SS*.  trans69.5-2.3178.200000115.7C124 S130C124-G128 WeakPolarHBondContact O-CA 3.37Å; C124-G128 PolarHBondContact O-N 3.35Å; G128-S130 PolarHBondContact O-N 3.4Å
129K87.3Confident88.7Confident127 Ų12777.6 Ų77.655%0.55241%0.413SS*.  trans-69.5130.1-177.8-71.2-178.5-176.7177.20111.7C124 C127 F131C124-K129 WeakPolarHBondContact CB-O 3.34Å; C124-K129 PolarHBondContact N-O 3.21Å; C127-K129 PolarHBondContact O-N 3.13Å; K129-F131 HydrophobicContact CB-CE2 3.99Å; K129-F131 HydrophobicContact CB-CZ 4Å; K129-F131 VanDerWaalsContact O-CE2 3.25Å; K129-F131 WeakPolarHBondContact O-CE2 3.23Å
130S90.9Very high88.8Confident50 Ų5073.4 Ų73.435%0.3539%0.393SS..EExtended strand (participates in β ladder)trans-105.5145.9-179.7-54.20000113.1K120 F122 G128K120-S130 VanDerWaalsContact CB-CB 3.5Å; K120-S130 WeakPolarHBondContact CD-O 3.37Å; F122-S130 CarbonylContact O-C 3.41Å; F122-S130 WeakPolarHBondContact O-CA 3.35Å; G128-S130 PolarHBondContact O-N 3.4Å
131F90.4Very high88.8Confident41 Ų4170.5 Ų70.518%0.1838%0.383CS..EExtended strand (participates in β ladder)trans-129.7145.7-175.4-56.5-87000110.8K120 F122 C124 K129 L133 N136 L137 H140K120-F131 CarbonylContact C-O 3.24Å; K120-F131 VanDerWaalsContact C-O 3.29Å; K120-F131 WeakPolarHBondContact CA-O 3.23Å; F122-F131 WeakPolarHBondContact CD2-O 3.46Å; F122-F131 PolarHBondContact N-O 3.22Å; F122-F131 VanDerWaalsContact N-O 3.1Å; F122-F131 PolarHBondContact O-N 3.28Å; C124-F131 HydrophobicContact CB-CE2 4.38Å; K129-F131 HydrophobicContact CB-CE2 3.99Å; K129-F131 HydrophobicContact CB-CZ 4Å; K129-F131 VanDerWaalsContact O-CE2 3.25Å; K129-F131 WeakPolarHBondContact O-CE2 3.23Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 PolarHBondContact O-N 2.87Å; F131-N136 HydrophobicContact CB-CB 4.09Å; F131-N136 HydrophobicContact CD1-CB 3.95Å; F131-N136 HydrophobicContact CG-CB 4.23Å; F131-L137 HydrophobicContact CB-CB 4.37Å; F131-L137 HydrophobicContact CD2-CB 3.79Å; F131-L137 HydrophobicContact CD2-CD1 3.79Å; F131-L137 HydrophobicContact CD2-CG 4.4Å; F131-L137 HydrophobicContact CE2-CD1 3.89Å; F131-L137 HydrophobicContact CG-CB 4.29Å; F131-H140 HydrophobicContact CE1-CB 4Å; F131-H140 HydrophobicContact CE2-CB 3.76Å; F131-H140 AromaticContact CE2-CD2 3.55Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.39Å; F131-H140 AromaticContact CZ-CD2 3.62Å; F131-H140 AromaticContact CZ-CG 3.21Å; F131-H140 AromaticContact CZ-ND1 3.64Å
132S89.3Confident88.7Confident36 Ų3668.6 Ų68.625%0.25237%0.368SS..SBendtrans-73.9-18.7176.855.30000113.3R114R114-S132 PolarHBondContact NH1-O 2.9Å
133L88.2Confident88.4Confident25 Ų2571.7 Ų71.713%0.13139%0.386CS..SBendtrans-131.5135.7-176.8-54.5-178.4000112.2R111 F131 R135 N136 L137R111-L133 HydrophobicContact CG-CD2 3.4Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 PolarHBondContact O-N 2.87Å; L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 HydrophobicContact CB-CG 4.09Å; L133-R135 HydrophobicContact CD1-CG 4.46Å; L133-R135 PolarHBondContact O-N 2.89Å; L133-N136 HydrophobicContact CB-CB 4.38Å; L133-N136 WeakPolarHBondContact O-CB 3.4Å; L133-N136 PolarHBondContact O-N 3.16Å; L133-L137 PolarHBondContact O-N 3.37Å
134K88.9Confident88.2Confident142 Ų14272 Ų7262%0.61738%0.38SS*.Hα-helixtrans-53.8-45.4175.7-170.1175.2-179.3177.60112.7F122 N136 L137 T138F122-K134 HydrophobicContact CD1-CB 3.95Å; F122-K134 HydrophobicContact CD1-CG 4.28Å; F122-K134 HydrophobicContact CD2-CB 4.45Å; F122-K134 VanDerWaalsContact CD2-N 3.25Å; F122-K134 HydrophobicContact CE1-CB 3.76Å; F122-K134 HydrophobicContact CE1-CD 4.49Å; F122-K134 HydrophobicContact CE1-CG 4.26Å; F122-K134 HydrophobicContact CE2-CB 4.28Å; F122-K134 VanDerWaalsContact CE2-N 3.34Å; F122-K134 HydrophobicContact CG-CB 4.28Å; F122-K134 HydrophobicContact CZ-CB 3.93Å; K134-N136 PolarHBondContact O-N 2.77Å; K134-N136 VanDerWaalsContact O-N 3.16Å; K134-L137 WeakPolarHBondContact O-CB 3.27Å; K134-L137 PolarHBondContact O-N 3.02Å; K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.3Å
135R86.8Confident87.9Confident175 Ų17575.4 Ų75.466%0.6640%0.4SS*.Hα-helixtrans-57-31.7177.270179.5179.9-176.4-3.1113.8L133 R139L133-R135 VanDerWaalsContact C-N 3.33Å; L133-R135 HydrophobicContact CB-CG 4.09Å; L133-R135 HydrophobicContact CD1-CG 4.46Å; L133-R135 PolarHBondContact O-N 2.89Å; R135-R139 WeakPolarHBondContact O-CB 3.46Å; R135-R139 PolarHBondContact O-N 3.29Å
136N89.3Confident87.6Confident36 Ų3670.6 Ų70.619%0.19338%0.381CS..Hα-helixtrans-75.3-38179-69.2-13.9000110.5F131 L133 K134 R139 H140F131-N136 HydrophobicContact CB-CB 4.09Å; F131-N136 HydrophobicContact CD1-CB 3.95Å; F131-N136 HydrophobicContact CG-CB 4.23Å; L133-N136 HydrophobicContact CB-CB 4.38Å; L133-N136 WeakPolarHBondContact O-CB 3.4Å; L133-N136 PolarHBondContact O-N 3.16Å; K134-N136 PolarHBondContact O-N 2.77Å; K134-N136 VanDerWaalsContact O-N 3.16Å; N136-R139 PolarHBondContact O-N 3.11Å; N136-R139 PolarHBondContact OD1-NH2 3.09Å; N136-H140 VanDerWaalsContact O-CB 3.32Å; N136-H140 WeakPolarHBondContact O-CB 3.46Å; N136-H140 PolarHBondContact O-N 3.04Å
137L90.3Very high87.6Confident22 Ų2271.1 Ų71.112%0.11538%0.376CS..Hα-helixtrans-63.2-50.2171.9172.662.3000111.1F122 S123 C124 F131 L133 K134 R139 H140 I141F122-L137 HydrophobicContact CB-CB 4.07Å; F122-L137 HydrophobicContact CB-CD2 3.81Å; S123-L137 WeakPolarHBondContact O-CD2 3.42Å; C124-L137 HydrophobicContact CB-CD1 3.63Å; F131-L137 HydrophobicContact CB-CB 4.37Å; F131-L137 HydrophobicContact CD2-CB 3.79Å; F131-L137 HydrophobicContact CD2-CD1 3.79Å; F131-L137 HydrophobicContact CD2-CG 4.4Å; F131-L137 HydrophobicContact CE2-CD1 3.89Å; F131-L137 HydrophobicContact CG-CB 4.29Å; L133-L137 PolarHBondContact O-N 3.37Å; K134-L137 WeakPolarHBondContact O-CB 3.27Å; K134-L137 PolarHBondContact O-N 3.02Å; L137-R139 PolarHBondContact O-N 3.36Å; L137-H140 CarbonylContact O-C 3.2Å; L137-H140 WeakPolarHBondContact O-CA 3.47Å; L137-H140 WeakPolarHBondContact O-CB 3.43Å; L137-H140 PolarHBondContact O-N 3.46Å; L137-I141 HydrophobicContact CD1-CD1 4.04Å; L137-I141 HydrophobicContact CD1-CG1 4.09Å; L137-I141 HydrophobicContact CG-CD1 3.96Å; L137-I141 HydrophobicContact CG-CG1 4.45Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.3Å
138T88.1Confident87.6Confident80 Ų8074.6 Ų74.649%0.49139%0.385SS..Hα-helixtrans-55-43176.4-52.50000111.1K134 H140 I141K134-T138 PolarHBondContact O-N 3.34Å; K134-T138 PolarHBondContact O-OG1 3.3Å; T138-H140 VanDerWaalsContact C-N 3.34Å; T138-H140 PolarHBondContact O-N 2.91Å; T138-I141 PolarHBondContact O-N 3.46Å
139R87.7Confident87.7Confident96 Ų9675.8 Ų75.836%0.36238%0.383SS..Hα-helixtrans-64.3-38.7174.4176.617758.6-164.1-3.2113.6R135 N136 L137 I141 M142 Q161R135-R139 WeakPolarHBondContact O-CB 3.46Å; R135-R139 PolarHBondContact O-N 3.29Å; N136-R139 PolarHBondContact O-N 3.11Å; N136-R139 PolarHBondContact OD1-NH2 3.09Å; L137-R139 PolarHBondContact O-N 3.36Å; R139-I141 VanDerWaalsContact C-N 3.34Å; R139-M142 VanDerWaalsContact CA-CE 3.47Å; R139-M142 HydrophobicContact CB-CE 3.96Å; R139-M142 HydrophobicContact CG-CE 3.87Å; R139-M142 WeakPolarHBondContact O-CB 3.25Å; R139-M142 PolarHBondContact O-N 2.81Å; R139-Q161 HydrophobicContact CG-CG 4.47Å
140H88.9Confident87.8Confident17 Ų1773.2 Ų73.28%0.07937%0.372CS..Hα-helixtrans-67-37.3178.216972.6000111.9C124 C127 F131 N136 L137 T138 M142 I143 H144C124-H140 VanDerWaalsContact SG-CD2 3.59Å; C124-H140 PolarHBondContact SG-NE2 3.29Å; C127-H140 PolarHBondContact SG-NE2 3.5Å; F131-H140 HydrophobicContact CE1-CB 4Å; F131-H140 HydrophobicContact CE2-CB 3.76Å; F131-H140 AromaticContact CE2-CD2 3.55Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.39Å; F131-H140 AromaticContact CZ-CD2 3.62Å; F131-H140 AromaticContact CZ-CG 3.21Å; F131-H140 AromaticContact CZ-ND1 3.64Å; N136-H140 VanDerWaalsContact O-CB 3.32Å; N136-H140 WeakPolarHBondContact O-CB 3.46Å; N136-H140 PolarHBondContact O-N 3.04Å; L137-H140 CarbonylContact O-C 3.2Å; L137-H140 WeakPolarHBondContact O-CA 3.47Å; L137-H140 WeakPolarHBondContact O-CB 3.43Å; L137-H140 PolarHBondContact O-N 3.46Å; T138-H140 VanDerWaalsContact C-N 3.34Å; T138-H140 PolarHBondContact O-N 2.91Å; H140-M142 PolarHBondContact O-N 3.1Å; H140-I143 VanDerWaalsContact O-CB 3.22Å; H140-I143 WeakPolarHBondContact O-CB 3.49Å; H140-I143 WeakPolarHBondContact O-CG1 3.36Å; H140-I143 PolarHBondContact O-N 3.32Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-NE2 3.57Å; H140-H144 AromaticContact NE2-CD2 3.89Å; H140-H144 AromaticContact NE2-CE1 3.95Å; H140-H144 AromaticContact NE2-NE2 3.02Å; H140-H144 PolarHBondContact NE2-NE2 3.34Å
141I87.8Confident87.6Confident67 Ų6774.3 Ų74.334%0.34438%0.379SS..Hα-helixtrans-59.5-32.9178.3-69.3165.8000111.7L137 T138 R139 I143 H144 T145L137-I141 HydrophobicContact CD1-CD1 4.04Å; L137-I141 HydrophobicContact CD1-CG1 4.09Å; L137-I141 HydrophobicContact CG-CD1 3.96Å; L137-I141 HydrophobicContact CG-CG1 4.45Å; L137-I141 WeakPolarHBondContact O-CG1 3.38Å; L137-I141 PolarHBondContact O-N 3.3Å; T138-I141 PolarHBondContact O-N 3.46Å; R139-I141 VanDerWaalsContact C-N 3.34Å; I141-I143 PolarHBondContact O-N 3.32Å; I141-H144 PolarHBondContact O-N 2.88Å; I141-T145 HydrophobicContact CG2-CG2 3.97Å; I141-T145 PolarHBondContact O-N 3.06Å; I141-T145 VanDerWaalsContact O-N 3.08Å; I141-T145 PolarHBondContact O-OG1 2.9Å
142M88.6Confident87.5Confident32 Ų3272.8 Ų72.816%0.15837%0.373CS..Hα-helixtrans-57.9-19173.5-68.7-171.6-82.500114.1R139 H140 H144 T145 G146 E147 P149 S160R139-M142 VanDerWaalsContact CA-CE 3.47Å; R139-M142 HydrophobicContact CB-CE 3.96Å; R139-M142 HydrophobicContact CG-CE 3.87Å; R139-M142 WeakPolarHBondContact O-CB 3.25Å; R139-M142 PolarHBondContact O-N 2.81Å; H140-M142 PolarHBondContact O-N 3.1Å; M142-H144 VanDerWaalsContact C-N 3.35Å; M142-T145 WeakPolarHBondContact CA-OG1 3.35Å; M142-G146 WeakPolarHBondContact O-CA 3.35Å; M142-G146 PolarHBondContact O-N 3.43Å; M142-G146 VanDerWaalsContact O-N 3.1Å; M142-E147 HydrophobicContact CG-CB 4.33Å; M142-P149 HydrophobicContact SD-CG 4.03Å; M142-S160 VanDerWaalsContact CE-O 3.25Å; M142-S160 WeakPolarHBondContact CE-O 3.37Å
143I85.3Confident87.3Confident125 Ų12577.8 Ų77.864%0.64140%0.402SS*.Hα-helixtrans-70.7-35.9173.8-59174.2000110.5H140 I141H140-I143 VanDerWaalsContact O-CB 3.22Å; H140-I143 WeakPolarHBondContact O-CB 3.49Å; H140-I143 WeakPolarHBondContact O-CG1 3.36Å; H140-I143 PolarHBondContact O-N 3.32Å; I141-I143 PolarHBondContact O-N 3.32Å
144H84.6Confident87Confident76 Ų7682.9 Ų82.935%0.35242%0.423SS..Hα-helixtrans-83.7-40.1-178.7-56.2-55.3000111.8C124 T126 H140 I141 M142 G146C124-H144 PolarHBondContact SG-NE2 2.86Å; C124-H144 VanDerWaalsContact SG-NE2 3.45Å; T126-H144 HydrophobicContact CG2-CB 4.33Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-NE2 3.57Å; H140-H144 AromaticContact NE2-CD2 3.89Å; H140-H144 AromaticContact NE2-CE1 3.95Å; H140-H144 AromaticContact NE2-NE2 3.02Å; H140-H144 PolarHBondContact NE2-NE2 3.34Å; I141-H144 PolarHBondContact O-N 2.88Å; M142-H144 VanDerWaalsContact C-N 3.35Å; H144-G146 VanDerWaalsContact C-N 3.31Å
145T85.8Confident86.8Confident73 Ų7378 Ų7845%0.44841%0.406SS..Hα-helixtrans-79.5-16179.562.20000112.9I141 M142 E147I141-T145 HydrophobicContact CG2-CG2 3.97Å; I141-T145 PolarHBondContact O-N 3.06Å; I141-T145 VanDerWaalsContact O-N 3.08Å; I141-T145 PolarHBondContact O-OG1 2.9Å; M142-T145 WeakPolarHBondContact CA-OG1 3.35Å; T145-E147 PolarHBondContact O-N 3.36Å; T145-E147 WeakPolarHBondContact OG1-CG 3.49Å; T145-E147 PolarHBondContact OG1-N 2.96Å
146G83Confident86.5Confident47 Ų4778.8 Ų78.849%0.48542%0.417SS..  trans71.51-17500000114.1M142 H144 K148M142-G146 WeakPolarHBondContact O-CA 3.35Å; M142-G146 PolarHBondContact O-N 3.43Å; M142-G146 VanDerWaalsContact O-N 3.1Å; H144-G146 VanDerWaalsContact C-N 3.31Å; G146-K148 PolarHBondContact O-N 3.28Å
147E85.4Confident86.1Confident116 Ų11680.9 Ų80.954%0.54243%0.425SS..  trans-59.7128.3-179.1-74177.8-173.500111.7M142 T145M142-E147 HydrophobicContact CG-CB 4.33Å; T145-E147 PolarHBondContact O-N 3.36Å; T145-E147 WeakPolarHBondContact OG1-CG 3.49Å; T145-E147 PolarHBondContact OG1-N 2.96Å
148K87.4Confident86.1Confident127 Ų12781.9 Ų81.955%0.55243%0.434SS*.  trans-13180.3179.1-73.5165.1171.2-176.70109.2G146 F150 S158 F159G146-K148 PolarHBondContact O-N 3.28Å; K148-F150 PolarHBondContact O-N 2.87Å; K148-S158 VanDerWaalsContact CB-CB 3.48Å; K148-S158 WeakPolarHBondContact CD-O 3.49Å; K148-F159 CarbonylContact C-O 3.27Å; K148-F159 VanDerWaalsContact C-O 3.32Å; K148-F159 WeakPolarHBondContact CA-O 3.33Å
149P87.9Confident86Confident82 Ų8280.1 Ų80.153%0.53242%0.419SS..  trans-64.9-12.5-169.6-23.734.9000115.2M142M142-P149 HydrophobicContact SD-CG 4.03Å
150F89.7Confident85.9Confident73 Ų7377.4 Ų77.432%0.3242%0.415SS..EExtended strand (participates in β ladder)trans-113.294.2-175.2-55.4-77.6000110.1K148 S158 F159 Q161 K162 L165K148-F150 PolarHBondContact O-N 2.87Å; F150-S158 CarbonylContact O-C 3.5Å; F150-S158 WeakPolarHBondContact O-CA 3.32Å; F150-F159 HydrophobicContact CB-CB 4.45Å; F150-F159 WeakPolarHBondContact CB-O 3.47Å; F150-F159 WeakPolarHBondContact CD2-O 3.34Å; F150-F159 PolarHBondContact N-O 3.13Å; F150-F159 VanDerWaalsContact N-O 3.07Å; F150-F159 PolarHBondContact O-N 2.87Å; F150-Q161 VanDerWaalsContact CD2-C 3.44Å; F150-K162 HydrophobicContact CD1-CB 3.84Å; F150-K162 HydrophobicContact CD1-CG 4.25Å; F150-K162 VanDerWaalsContact CD2-N 3.27Å; F150-K162 HydrophobicContact CE1-CB 3.7Å; F150-K162 HydrophobicContact CE1-CD 4.5Å; F150-K162 HydrophobicContact CE1-CG 4.26Å; F150-K162 HydrophobicContact CE2-CB 4.37Å; F150-K162 HydrophobicContact CG-CB 4.25Å; F150-K162 HydrophobicContact CZ-CB 3.96Å; F150-L165 HydrophobicContact CB-CB 4.11Å; F150-L165 HydrophobicContact CB-CD2 3.87Å
151S87.1Confident85.8Confident72 Ų7279.1 Ų79.150%0.50342%0.423SS..EExtended strand (participates in β ladder)trans-85.8146.3176.250.30000112.2S158 L165S151-S158 WeakPolarHBondContact CB-OG 3.48Å; S151-L165 WeakPolarHBondContact O-CD2 3.45Å
152C88.6Confident85.7Confident9 Ų982.7 Ų82.76%0.06144%0.436CS..  trans-80.4136.7167.8-178.70000109.4K154 C155 K157 L165 H168 M169 H172C152-K154 PolarHBondContact SG-N 3.09Å; C152-C155 CarbonylContact C-O 3.54Å; C152-C155 VanDerWaalsContact CB-O 3.3Å; C152-C155 WeakPolarHBondContact CB-O 3.45Å; C152-C155 VanDerWaalsContact SG-SG 3.62Å; C152-K157 VanDerWaalsContact CB-O 3.28Å; C152-K157 WeakPolarHBondContact CB-O 3.31Å; C152-K157 PolarHBondContact N-O 3.38Å; C152-L165 HydrophobicContact CB-CD1 3.75Å; C152-H168 PolarHBondContact SG-NE2 3.11Å; C152-H168 VanDerWaalsContact SG-NE2 3.35Å; C152-M169 HydrophobicContact CB-SD 4.38Å; C152-M169 PolarHBondContact SG-SD 3.32Å; C152-H172 PolarHBondContact SG-NE2 3.39Å; C152-H172 VanDerWaalsContact SG-NE2 3.42Å
153V85Confident85.5Confident141 Ų14187.6 Ų87.686%0.85546%0.459SS*.SBendtrans-82.1-24.1178.7-176.70000111.4
154K80.2Confident85.6Confident132 Ų13284.4 Ų84.457%0.57444%0.443SS*.SBendtrans-92-14.6-177.8-68.1-173.8173.5-169.20113.7C152 M169 H172C152-K154 PolarHBondContact SG-N 3.09Å; K154-M169 HydrophobicContact CD-CE 4.24Å; K154-M169 HydrophobicContact CG-CE 4.4Å; K154-H172 HydrophobicContact CB-CB 4.42Å; K154-H172 HydrophobicContact CD-CB 3.44Å; K154-H172 VanDerWaalsContact CD-CB 3.44Å
155C84.5Confident85.7Confident39 Ų3982 Ų8226%0.26443%0.433SS..SBendtrans-152.8161.1171.969.90000110.1C152 K157 H168 H172C152-C155 CarbonylContact C-O 3.54Å; C152-C155 VanDerWaalsContact CB-O 3.3Å; C152-C155 WeakPolarHBondContact CB-O 3.45Å; C152-C155 VanDerWaalsContact SG-SG 3.62Å; C155-K157 PolarHBondContact O-N 3.31Å; C155-H168 VanDerWaalsContact SG-CE1 3.54Å; C155-H168 PolarHBondContact SG-NE2 2.81Å; C155-H172 PolarHBondContact SG-NE2 3.29Å; C155-H172 VanDerWaalsContact SG-NE2 3.41Å
156E82.3Confident85.7Confident192 Ų19282.2 Ų82.290%0.89743%0.434SS*.SBendtrans-72.614-174.7-62.5172.5-176.700114.4
157K81.1Confident85.6Confident81 Ų8184.3 Ų84.335%0.35243%0.43SS..  trans-81.4127.1-179.4-66.6-167.9175.9-169.40111.2C152 C155 F159C152-K157 VanDerWaalsContact CB-O 3.28Å; C152-K157 WeakPolarHBondContact CB-O 3.31Å; C152-K157 PolarHBondContact N-O 3.38Å; C155-K157 PolarHBondContact O-N 3.31Å; K157-F159 HydrophobicContact CB-CE2 4.05Å; K157-F159 HydrophobicContact CB-CZ 3.99Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å
158S88.3Confident85.6Confident43 Ų4379.6 Ų79.630%0.30141%0.408SS..EExtended strand (participates in β ladder)trans-113.9149.5175.7-57.70000112.5K148 F150 S151K148-S158 VanDerWaalsContact CB-CB 3.48Å; K148-S158 WeakPolarHBondContact CD-O 3.49Å; F150-S158 CarbonylContact O-C 3.5Å; F150-S158 WeakPolarHBondContact O-CA 3.32Å; S151-S158 WeakPolarHBondContact CB-OG 3.48Å
159F87.4Confident85.4Confident42 Ų4276 Ų7618%0.18439%0.393CS..EExtended strand (participates in β ladder)trans-128.9147.3-173.7-56.3-88.2000111.3K148 F150 K157 Q161 N164 L165 H168K148-F159 CarbonylContact C-O 3.27Å; K148-F159 VanDerWaalsContact C-O 3.32Å; K148-F159 WeakPolarHBondContact CA-O 3.33Å; F150-F159 HydrophobicContact CB-CB 4.45Å; F150-F159 WeakPolarHBondContact CB-O 3.47Å; F150-F159 WeakPolarHBondContact CD2-O 3.34Å; F150-F159 PolarHBondContact N-O 3.13Å; F150-F159 VanDerWaalsContact N-O 3.07Å; F150-F159 PolarHBondContact O-N 2.87Å; K157-F159 HydrophobicContact CB-CE2 4.05Å; K157-F159 HydrophobicContact CB-CZ 3.99Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å; F159-Q161 VanDerWaalsContact C-N 3.25Å; F159-Q161 PolarHBondContact O-N 3.24Å; F159-N164 HydrophobicContact CB-CB 4.21Å; F159-N164 HydrophobicContact CD1-CB 3.94Å; F159-N164 HydrophobicContact CG-CB 4.29Å; F159-L165 HydrophobicContact CB-CB 4.37Å; F159-L165 HydrophobicContact CD2-CB 3.79Å; F159-L165 HydrophobicContact CD2-CD1 3.77Å; F159-L165 HydrophobicContact CD2-CG 4.38Å; F159-L165 HydrophobicContact CE2-CD1 3.87Å; F159-L165 HydrophobicContact CG-CB 4.27Å; F159-H168 HydrophobicContact CE1-CB 3.99Å; F159-H168 HydrophobicContact CE2-CB 3.77Å; F159-H168 AromaticContact CE2-CD2 3.66Å; F159-H168 AromaticContact CE2-CG 3.56Å; F159-H168 HydrophobicContact CZ-CB 3.39Å; F159-H168 AromaticContact CZ-CD2 3.79Å; F159-H168 AromaticContact CZ-CG 3.22Å; F159-H168 AromaticContact CZ-ND1 3.48Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.21Å
160S85.8Confident85.3Confident40 Ų4074.3 Ų74.328%0.2838%0.376SS..SBendtrans-76.1-12.217457.30000113.4M142M142-S160 VanDerWaalsContact CE-O 3.25Å; M142-S160 WeakPolarHBondContact CE-O 3.37Å
161Q86.2Confident84.9Confident52 Ų5274.3 Ų74.324%0.24338%0.379CS..SBendtrans-139.1133.2-177.3-67.3177.279.200111.4R139 F150 F159 Q163 N164 L165R139-Q161 HydrophobicContact CG-CG 4.47Å; F150-Q161 VanDerWaalsContact CD2-C 3.44Å; F159-Q161 VanDerWaalsContact C-N 3.25Å; F159-Q161 PolarHBondContact O-N 3.24Å; Q161-Q163 PolarHBondContact O-N 3.03Å; Q161-N164 HydrophobicContact CB-CB 4.48Å; Q161-N164 WeakPolarHBondContact O-CB 3.35Å; Q161-N164 PolarHBondContact O-N 2.92Å; Q161-L165 PolarHBondContact O-N 3.06Å
162K86.3Confident84.6Confident143 Ų14373.6 Ų73.662%0.62237%0.368SS*.Hα-helixtrans-52.7-38.2175.8-170.5176.2-175.3177.50113.4F150 N164 L165 T166F150-K162 HydrophobicContact CD1-CB 3.84Å; F150-K162 HydrophobicContact CD1-CG 4.25Å; F150-K162 VanDerWaalsContact CD2-N 3.27Å; F150-K162 HydrophobicContact CE1-CB 3.7Å; F150-K162 HydrophobicContact CE1-CD 4.5Å; F150-K162 HydrophobicContact CE1-CG 4.26Å; F150-K162 HydrophobicContact CE2-CB 4.37Å; F150-K162 HydrophobicContact CG-CB 4.25Å; F150-K162 HydrophobicContact CZ-CB 3.96Å; K162-N164 VanDerWaalsContact C-N 3.29Å; K162-N164 PolarHBondContact O-N 3.23Å; K162-L165 PolarHBondContact O-N 3.39Å; K162-T166 PolarHBondContact O-N 3.11Å; K162-T166 PolarHBondContact O-OG1 3.25Å
163Q84.4Confident84.3Confident134 Ų13476.7 Ų76.763%0.62639%0.386SS*.Hα-helixtrans-64-34.5178.5-63.7-179.713.800112.4Q161 T166 K167Q161-Q163 PolarHBondContact O-N 3.03Å; Q163-T166 PolarHBondContact O-N 2.77Å; Q163-K167 WeakPolarHBondContact O-CG 3.4Å; Q163-K167 PolarHBondContact O-N 2.91Å
164N85.9Confident83.9Confident58 Ų5874.2 Ų74.231%0.3138%0.375SS..Hα-helixtrans-73.1-40.9177.8-67.6-12.7000110.6F159 Q161 K162 T166 K167 H168F159-N164 HydrophobicContact CB-CB 4.21Å; F159-N164 HydrophobicContact CD1-CB 3.94Å; F159-N164 HydrophobicContact CG-CB 4.29Å; Q161-N164 HydrophobicContact CB-CB 4.48Å; Q161-N164 WeakPolarHBondContact O-CB 3.35Å; Q161-N164 PolarHBondContact O-N 2.92Å; K162-N164 VanDerWaalsContact C-N 3.29Å; K162-N164 PolarHBondContact O-N 3.23Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 3.09Å; N164-K167 PolarHBondContact O-N 3.23Å; N164-H168 WeakPolarHBondContact O-CB 3.49Å; N164-H168 PolarHBondContact O-N 3.08Å
165L87.4Confident84Confident27 Ų2772.7 Ų72.714%0.14137%0.37CS..Hα-helixtrans-57.7-47.5169.8174.661.6000110.9F150 S151 C152 F159 Q161 K162 K167 H168 M169F150-L165 HydrophobicContact CB-CB 4.11Å; F150-L165 HydrophobicContact CB-CD2 3.87Å; S151-L165 WeakPolarHBondContact O-CD2 3.45Å; C152-L165 HydrophobicContact CB-CD1 3.75Å; F159-L165 HydrophobicContact CB-CB 4.37Å; F159-L165 HydrophobicContact CD2-CB 3.79Å; F159-L165 HydrophobicContact CD2-CD1 3.77Å; F159-L165 HydrophobicContact CD2-CG 4.38Å; F159-L165 HydrophobicContact CE2-CD1 3.87Å; F159-L165 HydrophobicContact CG-CB 4.27Å; Q161-L165 PolarHBondContact O-N 3.06Å; K162-L165 PolarHBondContact O-N 3.39Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.29Å; L165-H168 CarbonylContact O-C 3.54Å; L165-H168 WeakPolarHBondContact O-CA 3.21Å; L165-H168 WeakPolarHBondContact O-CB 3.37Å; L165-H168 PolarHBondContact O-N 2.82Å; L165-M169 HydrophobicContact CD1-CG 4.23Å; L165-M169 HydrophobicContact CD1-SD 3.93Å; L165-M169 HydrophobicContact CG-CG 4.41Å; L165-M169 WeakPolarHBondContact O-CG 3.4Å; L165-M169 PolarHBondContact O-N 3.44Å
166T85.6Confident84Confident77 Ų7776 Ų7647%0.47238%0.38SS..Hα-helixtrans-58.8-43.3179.2-51.90000111.7K162 Q163 N164 M169K162-T166 PolarHBondContact O-N 3.11Å; K162-T166 PolarHBondContact O-OG1 3.25Å; Q163-T166 PolarHBondContact O-N 2.77Å; N164-T166 VanDerWaalsContact C-N 3.34Å; N164-T166 PolarHBondContact O-N 3.09Å; T166-M169 PolarHBondContact O-N 3.42Å
167K81.7Confident84.2Confident90 Ų9069.6 Ų69.639%0.39136%0.355SS..Hα-helixtrans-64.8-40174-72171-175.5174.20111.9Q163 N164 L165 M169 R170Q163-K167 WeakPolarHBondContact O-CG 3.4Å; Q163-K167 PolarHBondContact O-N 2.91Å; N164-K167 PolarHBondContact O-N 3.23Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.29Å; K167-M169 VanDerWaalsContact C-N 3.35Å; K167-R170 WeakPolarHBondContact O-CB 3.17Å; K167-R170 PolarHBondContact O-N 3.48Å
168H85Confident84.4Confident17 Ų1768.3 Ų68.38%0.07935%0.349CS..Hα-helixtrans-63.1-39.3176.5167.781.1000112C152 C155 F159 N164 L165 R170 I171 H172C152-H168 PolarHBondContact SG-NE2 3.11Å; C152-H168 VanDerWaalsContact SG-NE2 3.35Å; C155-H168 VanDerWaalsContact SG-CE1 3.54Å; C155-H168 PolarHBondContact SG-NE2 2.81Å; F159-H168 HydrophobicContact CE1-CB 3.99Å; F159-H168 HydrophobicContact CE2-CB 3.77Å; F159-H168 AromaticContact CE2-CD2 3.66Å; F159-H168 AromaticContact CE2-CG 3.56Å; F159-H168 HydrophobicContact CZ-CB 3.39Å; F159-H168 AromaticContact CZ-CD2 3.79Å; F159-H168 AromaticContact CZ-CG 3.22Å; F159-H168 AromaticContact CZ-ND1 3.48Å; F159-H168 WeakPolarHBondContact CZ-ND1 3.21Å; N164-H168 WeakPolarHBondContact O-CB 3.49Å; N164-H168 PolarHBondContact O-N 3.08Å; L165-H168 CarbonylContact O-C 3.54Å; L165-H168 WeakPolarHBondContact O-CA 3.21Å; L165-H168 WeakPolarHBondContact O-CB 3.37Å; L165-H168 PolarHBondContact O-N 2.82Å; H168-R170 PolarHBondContact O-N 3.22Å; H168-I171 VanDerWaalsContact O-CB 3.24Å; H168-I171 WeakPolarHBondContact O-CB 3.42Å; H168-I171 WeakPolarHBondContact O-CG1 3.46Å; H168-I171 PolarHBondContact O-N 3.16Å; H168-H172 AromaticContact CE1-NE2 3.8Å; H168-H172 AromaticContact NE2-CD2 3.7Å; H168-H172 AromaticContact NE2-NE2 3.15Å; H168-H172 PolarHBondContact NE2-NE2 3.37Å; H168-H172 VanDerWaalsContact NE2-NE2 3.15Å
169M83.1Confident84.4Confident51 Ų5169 Ų6925%0.25135%0.354SS..Hα-helixtrans-57.2-24.7179.5-68.7-48.7-67.200113.2C152 K154 L165 T166 K167 I171 H172 T173C152-M169 HydrophobicContact CB-SD 4.38Å; C152-M169 PolarHBondContact SG-SD 3.32Å; K154-M169 HydrophobicContact CD-CE 4.24Å; K154-M169 HydrophobicContact CG-CE 4.4Å; L165-M169 HydrophobicContact CD1-CG 4.23Å; L165-M169 HydrophobicContact CD1-SD 3.93Å; L165-M169 HydrophobicContact CG-CG 4.41Å; L165-M169 WeakPolarHBondContact O-CG 3.4Å; L165-M169 PolarHBondContact O-N 3.44Å; T166-M169 PolarHBondContact O-N 3.42Å; K167-M169 VanDerWaalsContact C-N 3.35Å; M169-I171 PolarHBondContact O-N 2.76Å; M169-I171 VanDerWaalsContact O-N 3.15Å; M169-H172 PolarHBondContact O-N 3.25Å; M169-T173 PolarHBondContact O-N 3.44Å; M169-T173 VanDerWaalsContact O-N 3.09Å; M169-T173 PolarHBondContact O-OG1 2.77Å
170R85.1Confident84.3Confident47 Ų4767 Ų6718%0.17735%0.346CS..THydrogen-bonded Turntrans-62.9-16.5173.5-57179.6-177.2169.5-1.3114.1K167 H168 T173 S174 E175 R188K167-R170 WeakPolarHBondContact O-CB 3.17Å; K167-R170 PolarHBondContact O-N 3.48Å; H168-R170 PolarHBondContact O-N 3.22Å; R170-T173 WeakPolarHBondContact CA-OG1 3.3Å; R170-S174 PolarHBondContact O-N 2.79Å; R170-E175 HydrophobicContact CG-CB 4.46Å; R170-R188 VanDerWaalsContact C-NE 3.33Å; R170-R188 HydrophobicContact CB-CG 3.58Å; R170-R188 HydrophobicContact CG-CG 4.43Å; R170-R188 PolarHBondContact NH1-O 3.39Å; R170-R188 PolarHBondContact O-NE 2.91Å; R170-R188 PolarHBondContact O-NH2 3.4Å
171I81.9Confident84.3Confident73 Ų7373 Ų7337%0.37437%0.374SS..THydrogen-bonded Turntrans-66.5-44170.8-64.8164.1000109.9H168 M169 R188H168-I171 VanDerWaalsContact O-CB 3.24Å; H168-I171 WeakPolarHBondContact O-CB 3.42Å; H168-I171 WeakPolarHBondContact O-CG1 3.46Å; H168-I171 PolarHBondContact O-N 3.16Å; M169-I171 PolarHBondContact O-N 2.76Å; M169-I171 VanDerWaalsContact O-N 3.15Å; I171-R188 VanDerWaalsContact CA-CZ 3.49Å
172H81.4Confident84.1Confident58 Ų5874.9 Ų74.927%0.26939%0.389SS..THydrogen-bonded Turntrans-85.4-25.8-174.8-60.1-60.8000113.9C152 K154 C155 H168 M169C152-H172 PolarHBondContact SG-NE2 3.39Å; C152-H172 VanDerWaalsContact SG-NE2 3.42Å; K154-H172 HydrophobicContact CB-CB 4.42Å; K154-H172 HydrophobicContact CD-CB 3.44Å; K154-H172 VanDerWaalsContact CD-CB 3.44Å; C155-H172 PolarHBondContact SG-NE2 3.29Å; C155-H172 VanDerWaalsContact SG-NE2 3.41Å; H168-H172 AromaticContact CE1-NE2 3.8Å; H168-H172 AromaticContact NE2-CD2 3.7Å; H168-H172 AromaticContact NE2-NE2 3.15Å; H168-H172 PolarHBondContact NE2-NE2 3.37Å; H168-H172 VanDerWaalsContact NE2-NE2 3.15Å; M169-H172 PolarHBondContact O-N 3.25Å
173T82Confident83.9Confident74 Ų7470.9 Ų70.945%0.45438%0.378SS..SBendtrans-92.5-4.5178.557.90000112.7M169 R170 E175M169-T173 PolarHBondContact O-N 3.44Å; M169-T173 VanDerWaalsContact O-N 3.09Å; M169-T173 PolarHBondContact O-OG1 2.77Å; R170-T173 WeakPolarHBondContact CA-OG1 3.3Å; T173-E175 PolarHBondContact O-N 2.95Å; T173-E175 WeakPolarHBondContact OG1-CB 3.25Å
174S77.2Confident83.8Confident89 Ų8967 Ų6762%0.62237%0.374SS*.  trans51.618.1-171.5-64.70000114.3R170 K176R170-S174 PolarHBondContact O-N 2.79Å; S174-K176 PolarHBondContact O-N 3.21Å
175E81.6Confident83.5Confident100 Ų10069 Ų6947%0.46738%0.38SS..  trans-66.2127.1-179.5-166.2-165.6166.100109.7R170 T173 P177R170-E175 HydrophobicContact CG-CB 4.46Å; T173-E175 PolarHBondContact O-N 2.95Å; T173-E175 WeakPolarHBondContact OG1-CB 3.25Å; E175-P177 HydrophobicContact CG-CG 3.95Å; E175-P177 WeakPolarHBondContact O-CD 3.27Å
176K85.1Confident83.4Confident109 Ų10969.8 Ų69.847%0.47439%0.388SS..  trans-123.576.8179-73.5171.7162.7-156.40109.5S174 F178 S186 F187S174-K176 PolarHBondContact O-N 3.21Å; K176-F178 PolarHBondContact O-N 3.34Å; K176-F178 VanDerWaalsContact O-N 3.1Å; K176-S186 VanDerWaalsContact CD-O 3.28Å; K176-S186 WeakPolarHBondContact CD-O 3.24Å; K176-S186 PolarHBondContact NZ-O 3.28Å; K176-F187 CarbonylContact C-O 3.53Å; K176-F187 VanDerWaalsContact C-O 3.24Å; K176-F187 WeakPolarHBondContact CA-O 3.46Å
177P85.8Confident83.3Confident56 Ų5666.7 Ų66.736%0.36437%0.368SS..  trans-68-12.6-170.3-19.231.8000114.8E175E175-P177 HydrophobicContact CG-CG 3.95Å; E175-P177 WeakPolarHBondContact O-CD 3.27Å
178F86Confident83.2Confident54 Ų5465.6 Ų65.624%0.23736%0.361CS..EExtended strand (participates in β ladder)trans-111.598-172.3-56.2-75.1000109.6K176 S186 F187 R188 K190 L193K176-F178 PolarHBondContact O-N 3.34Å; K176-F178 VanDerWaalsContact O-N 3.1Å; F178-S186 CarbonylContact O-C 3.31Å; F178-S186 WeakPolarHBondContact O-CA 3.38Å; F178-F187 HydrophobicContact CB-CB 4.39Å; F178-F187 PolarHBondContact N-O 3.09Å; F178-F187 VanDerWaalsContact N-O 3.13Å; F178-F187 WeakPolarHBondContact O-CD2 3.42Å; F178-F187 PolarHBondContact O-N 2.88Å; F178-R188 WeakPolarHBondContact CE2-O 3.4Å; F178-K190 HydrophobicContact CD1-CB 4.03Å; F178-K190 HydrophobicContact CD1-CG 4.38Å; F178-K190 VanDerWaalsContact CD2-N 3.33Å; F178-K190 HydrophobicContact CE1-CB 3.78Å; F178-K190 HydrophobicContact CE1-CG 4.31Å; F178-K190 HydrophobicContact CE2-CB 4.28Å; F178-K190 VanDerWaalsContact CE2-N 3.32Å; F178-K190 HydrophobicContact CG-CB 4.4Å; F178-K190 HydrophobicContact CZ-CB 3.91Å; F178-L193 HydrophobicContact CB-CB 3.95Å; F178-L193 HydrophobicContact CB-CD2 3.82Å; F178-L193 HydrophobicContact CB-CG 4.49Å
179S86.5Confident83Confident57 Ų5768.6 Ų68.640%0.39938%0.375SS..EExtended strand (participates in β ladder)trans-94.2142.6177.749.80000112.1S186 L193S179-S186 WeakPolarHBondContact CB-OG 3.28Å; S179-L193 WeakPolarHBondContact O-CD2 3.5Å
180C86.1Confident82.9Confident1 Ų172.9 Ų72.91%0.00739%0.392CS..  trans-78.7121.4166176.90000108.7T182 C183 G184 K185 F187 L193 H196 M197 H200C180-T182 VanDerWaalsContact C-N 3.26Å; C180-T182 PolarHBondContact O-N 2.94Å; C180-T182 PolarHBondContact SG-N 3.15Å; C180-T182 VanDerWaalsContact SG-N 3.37Å; C180-C183 PolarHBondContact SG-N 2.87Å; C180-C183 VanDerWaalsContact SG-SG 3.64Å; C180-G184 WeakPolarHBondContact O-CA 3.43Å; C180-G184 PolarHBondContact O-N 3.2Å; C180-K185 WeakPolarHBondContact CB-O 3.42Å; C180-K185 PolarHBondContact N-O 3.42Å; C180-F187 HydrophobicContact CB-CE2 4.38Å; C180-L193 HydrophobicContact CB-CD1 3.79Å; C180-H196 PolarHBondContact SG-NE2 3.4Å; C180-H196 VanDerWaalsContact SG-NE2 3.36Å; C180-M197 HydrophobicContact CB-SD 4.18Å; C180-M197 PolarHBondContact SG-SD 2.97Å; C180-H200 PolarHBondContact SG-NE2 2.84Å
181L85.2Confident82.5Confident167 Ų16775.7 Ų75.787%0.87441%0.406SS*.THydrogen-bonded Turntrans-72.1-22.5177.2-62.3177.4000112.4
182T82.9Confident82.4Confident91 Ų9172.9 Ų72.956%0.55839%0.393SS*.THydrogen-bonded Turntrans-79-39-177.6-46.60000113C180 H200C180-T182 VanDerWaalsContact C-N 3.26Å; C180-T182 PolarHBondContact O-N 2.94Å; C180-T182 PolarHBondContact SG-N 3.15Å; C180-T182 VanDerWaalsContact SG-N 3.37Å; T182-H200 HydrophobicContact CG2-CB 4.24Å
183C83.1Confident82.4Confident58 Ų5871.5 Ų71.539%0.39239%0.387SS..THydrogen-bonded Turntrans-129.96.1-177.273.40000114.8C180 K185 H196C180-C183 PolarHBondContact SG-N 2.87Å; C180-C183 VanDerWaalsContact SG-SG 3.64Å; C183-K185 PolarHBondContact O-N 3.45Å; C183-H196 PolarHBondContact SG-CE1 3.15Å; C183-H196 PolarHBondContact SG-NE2 3.41Å
184G82.3Confident82.3Confident53 Ų5371.5 Ų71.555%0.54639%0.387SS..  trans72.8-7.3177.900000115.8C180 S186C180-G184 WeakPolarHBondContact O-CA 3.43Å; C180-G184 PolarHBondContact O-N 3.2Å; G184-S186 PolarHBondContact O-N 3.35Å; G184-S186 PolarHBondContact O-OG 3.46Å
185K79Confident82Confident101 Ų10170 Ų7044%0.43937%0.371SS..  trans-61.3132.3178.6-71-173.8-177.7-176.60110.6E22 C180 C183 F187E22-K185 IonicContact OE2-NZ 3.17Å; E22-K185 PolarHBondContact OE2-NZ 3.16Å; C180-K185 WeakPolarHBondContact CB-O 3.42Å; C180-K185 PolarHBondContact N-O 3.42Å; C183-K185 PolarHBondContact O-N 3.45Å; K185-F187 HydrophobicContact CB-CE2 3.97Å; K185-F187 HydrophobicContact CB-CZ 3.89Å; K185-F187 VanDerWaalsContact O-CE2 3.29Å; K185-F187 WeakPolarHBondContact O-CE2 3.41Å
186S86Confident81.8Confident42 Ų4266 Ų6629%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-114.5144.1-176.5-590000113K176 F178 S179 G184K176-S186 VanDerWaalsContact CD-O 3.28Å; K176-S186 WeakPolarHBondContact CD-O 3.24Å; K176-S186 PolarHBondContact NZ-O 3.28Å; F178-S186 CarbonylContact O-C 3.31Å; F178-S186 WeakPolarHBondContact O-CA 3.38Å; S179-S186 WeakPolarHBondContact CB-OG 3.28Å; G184-S186 PolarHBondContact O-N 3.35Å; G184-S186 PolarHBondContact O-OG 3.46Å
187F82.3Confident81.3Confident13 Ų1363.5 Ų63.56%0.05734%0.342CS..EExtended strand (participates in β ladder)trans-129.3149.5-169.6-56.7-84.8000112.1K176 F178 C180 K185 C192 L193 H196K176-F187 CarbonylContact C-O 3.53Å; K176-F187 VanDerWaalsContact C-O 3.24Å; K176-F187 WeakPolarHBondContact CA-O 3.46Å; F178-F187 HydrophobicContact CB-CB 4.39Å; F178-F187 PolarHBondContact N-O 3.09Å; F178-F187 VanDerWaalsContact N-O 3.13Å; F178-F187 WeakPolarHBondContact O-CD2 3.42Å; F178-F187 PolarHBondContact O-N 2.88Å; C180-F187 HydrophobicContact CB-CE2 4.38Å; K185-F187 HydrophobicContact CB-CE2 3.97Å; K185-F187 HydrophobicContact CB-CZ 3.89Å; K185-F187 VanDerWaalsContact O-CE2 3.29Å; K185-F187 WeakPolarHBondContact O-CE2 3.41Å; F187-C192 HydrophobicContact CB-CB 3.93Å; F187-C192 HydrophobicContact CD1-CB 3.82Å; F187-C192 HydrophobicContact CG-CB 4.1Å; F187-L193 HydrophobicContact CB-CB 4.34Å; F187-L193 HydrophobicContact CD2-CB 3.85Å; F187-L193 HydrophobicContact CD2-CD1 3.78Å; F187-L193 HydrophobicContact CD2-CG 4.43Å; F187-L193 HydrophobicContact CE2-CD1 3.94Å; F187-L193 HydrophobicContact CG-CB 4.3Å; F187-H196 HydrophobicContact CE1-CB 3.93Å; F187-H196 HydrophobicContact CE2-CB 3.67Å; F187-H196 AromaticContact CE2-CD2 3.53Å; F187-H196 AromaticContact CE2-CG 3.48Å; F187-H196 VanDerWaalsContact CE2-CG 3.48Å; F187-H196 HydrophobicContact CZ-CB 3.34Å; F187-H196 AromaticContact CZ-CD2 3.67Å; F187-H196 AromaticContact CZ-CG 3.15Å; F187-H196 AromaticContact CZ-ND1 3.51Å
188R80.4Confident80.6Confident67 Ų6763.2 Ų63.225%0.25334%0.337SS..SBendtrans-76.5-30.4-179.9-175.4176.2-69.7144.30.4113.3R170 I171 F178R170-R188 VanDerWaalsContact C-NE 3.33Å; R170-R188 HydrophobicContact CB-CG 3.58Å; R170-R188 HydrophobicContact CG-CG 4.43Å; R170-R188 PolarHBondContact NH1-O 3.39Å; R170-R188 PolarHBondContact O-NE 2.91Å; R170-R188 PolarHBondContact O-NH2 3.4Å; I171-R188 VanDerWaalsContact CA-CZ 3.49Å; F178-R188 WeakPolarHBondContact CE2-O 3.4Å
189H80.6Confident79.9Confident79 Ų7966.4 Ų66.437%0.36636%0.355SS..SBendtrans-126.5143.4-177.5-58.3-88.6000110.9F191 C192 L193H189-F191 VanDerWaalsContact C-N 3.27Å; H189-F191 PolarHBondContact O-N 2.87Å; H189-C192 WeakPolarHBondContact O-CB 3.3Å; H189-C192 PolarHBondContact O-N 3.47Å; H189-C192 VanDerWaalsContact O-N 3.1Å; H189-L193 PolarHBondContact O-N 3.05Å
190K80.9Confident79.4Confident142 Ų14266.9 Ų66.962%0.61735%0.351SS*.Hα-helixtrans-57-40.1178.9-173.8176.3179.7177.90112.4F178 C192 L193 T194F178-K190 HydrophobicContact CD1-CB 4.03Å; F178-K190 HydrophobicContact CD1-CG 4.38Å; F178-K190 VanDerWaalsContact CD2-N 3.33Å; F178-K190 HydrophobicContact CE1-CB 3.78Å; F178-K190 HydrophobicContact CE1-CG 4.31Å; F178-K190 HydrophobicContact CE2-CB 4.28Å; F178-K190 VanDerWaalsContact CE2-N 3.32Å; F178-K190 HydrophobicContact CG-CB 4.4Å; F178-K190 HydrophobicContact CZ-CB 3.91Å; K190-C192 VanDerWaalsContact C-N 3.29Å; K190-C192 PolarHBondContact O-N 3.46Å; K190-L193 WeakPolarHBondContact O-CB 3.48Å; K190-L193 PolarHBondContact O-N 3.02Å; K190-L193 VanDerWaalsContact O-N 3.16Å; K190-T194 PolarHBondContact O-N 3.25Å; K190-T194 PolarHBondContact O-OG1 3.16Å; K190-T194 VanDerWaalsContact O-OG1 3.13Å
191F76.3Confident78.5Confident105 Ų10570.1 Ų70.146%0.46137%0.37SS..Hα-helixtrans-59.2-39178.1176.2-99.3000112.5H189 T194 Q195 Q217H189-F191 VanDerWaalsContact C-N 3.27Å; H189-F191 PolarHBondContact O-N 2.87Å; F191-T194 PolarHBondContact O-N 3.43Å; F191-Q195 WeakPolarHBondContact O-CB 3.37Å; F191-Q195 PolarHBondContact O-N 3.4Å; F191-Q217 HydrophobicContact CZ-CG 4.35Å
192C79.6Confident77.3Confident15 Ų1567.5 Ų67.510%0.10137%0.366CS..Hα-helixtrans-65.3-41.1176.8-53.40000111.3C26 F187 H189 K190 Q195 H196C26-C192 PolarHBondContact SG-SG 3.43Å; F187-C192 HydrophobicContact CB-CB 3.93Å; F187-C192 HydrophobicContact CD1-CB 3.82Å; F187-C192 HydrophobicContact CG-CB 4.1Å; H189-C192 WeakPolarHBondContact O-CB 3.3Å; H189-C192 PolarHBondContact O-N 3.47Å; H189-C192 VanDerWaalsContact O-N 3.1Å; K190-C192 VanDerWaalsContact C-N 3.29Å; K190-C192 PolarHBondContact O-N 3.46Å; C192-Q195 PolarHBondContact O-N 2.9Å; C192-H196 VanDerWaalsContact O-CB 3.26Å; C192-H196 WeakPolarHBondContact O-CB 3.41Å; C192-H196 PolarHBondContact O-N 2.99Å
193L81.9Confident76.3Confident29 Ų2969.4 Ų69.415%0.15237%0.369CS..Hα-helixtrans-62.2-47.4172.317462.6000110.7F178 S179 C180 F187 H189 K190 Q195 H196 M197F178-L193 HydrophobicContact CB-CB 3.95Å; F178-L193 HydrophobicContact CB-CD2 3.82Å; F178-L193 HydrophobicContact CB-CG 4.49Å; S179-L193 WeakPolarHBondContact O-CD2 3.5Å; C180-L193 HydrophobicContact CB-CD1 3.79Å; F187-L193 HydrophobicContact CB-CB 4.34Å; F187-L193 HydrophobicContact CD2-CB 3.85Å; F187-L193 HydrophobicContact CD2-CD1 3.78Å; F187-L193 HydrophobicContact CD2-CG 4.43Å; F187-L193 HydrophobicContact CE2-CD1 3.94Å; F187-L193 HydrophobicContact CG-CB 4.3Å; H189-L193 PolarHBondContact O-N 3.05Å; K190-L193 WeakPolarHBondContact O-CB 3.48Å; K190-L193 PolarHBondContact O-N 3.02Å; K190-L193 VanDerWaalsContact O-N 3.16Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 3.39Å; L193-H196 CarbonylContact O-C 3.58Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 2.96Å; L193-H196 VanDerWaalsContact O-N 3.09Å; L193-M197 HydrophobicContact CD1-CG 4.06Å; L193-M197 HydrophobicContact CD1-SD 3.99Å; L193-M197 HydrophobicContact CG-CG 4.29Å; L193-M197 VanDerWaalsContact O-CG 3.3Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 3.1Å
194T78.7Confident75Confident73 Ų7374.8 Ų74.845%0.44839%0.386SS..Hα-helixtrans-57.5-45177.5-56.40000111.6K190 F191 H196 M197 M198K190-T194 PolarHBondContact O-N 3.25Å; K190-T194 PolarHBondContact O-OG1 3.16Å; K190-T194 VanDerWaalsContact O-OG1 3.13Å; F191-T194 PolarHBondContact O-N 3.43Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.06Å; T194-M197 PolarHBondContact O-N 2.75Å; T194-M198 WeakPolarHBondContact O-CG 3.48Å
195Q71Confident74.3Confident59 Ų5974.7 Ų74.728%0.27637%0.372SS..Hα-helixtrans-61.9-41.3175-175-171.6-5.200111.9F191 C192 L193 M198 M205F191-Q195 WeakPolarHBondContact O-CB 3.37Å; F191-Q195 PolarHBondContact O-N 3.4Å; C192-Q195 PolarHBondContact O-N 2.9Å; L193-Q195 VanDerWaalsContact C-N 3.31Å; L193-Q195 PolarHBondContact O-N 3.39Å; Q195-M198 WeakPolarHBondContact O-CB 3.44Å; Q195-M198 WeakPolarHBondContact O-CG 3.35Å; Q195-M198 PolarHBondContact O-N 2.74Å; Q195-M205 HydrophobicContact CG-CE 3.41Å; Q195-M205 VanDerWaalsContact CG-CE 3.41Å
196H78.4Confident74.1Confident16 Ų1674.3 Ų74.37%0.07437%0.37CS..Hα-helixtrans-66.2-38.4177170.475000112.5C180 C183 F187 C192 L193 T194 M198 I199 H200C180-H196 PolarHBondContact SG-NE2 3.4Å; C180-H196 VanDerWaalsContact SG-NE2 3.36Å; C183-H196 PolarHBondContact SG-CE1 3.15Å; C183-H196 PolarHBondContact SG-NE2 3.41Å; F187-H196 HydrophobicContact CE1-CB 3.93Å; F187-H196 HydrophobicContact CE2-CB 3.67Å; F187-H196 AromaticContact CE2-CD2 3.53Å; F187-H196 AromaticContact CE2-CG 3.48Å; F187-H196 VanDerWaalsContact CE2-CG 3.48Å; F187-H196 HydrophobicContact CZ-CB 3.34Å; F187-H196 AromaticContact CZ-CD2 3.67Å; F187-H196 AromaticContact CZ-CG 3.15Å; F187-H196 AromaticContact CZ-ND1 3.51Å; C192-H196 VanDerWaalsContact O-CB 3.26Å; C192-H196 WeakPolarHBondContact O-CB 3.41Å; C192-H196 PolarHBondContact O-N 2.99Å; L193-H196 CarbonylContact O-C 3.58Å; L193-H196 WeakPolarHBondContact O-CB 3.29Å; L193-H196 PolarHBondContact O-N 2.96Å; L193-H196 VanDerWaalsContact O-N 3.09Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.06Å; H196-M198 PolarHBondContact O-N 3.15Å; H196-M198 VanDerWaalsContact O-N 3.14Å; H196-I199 VanDerWaalsContact O-CB 3.28Å; H196-I199 WeakPolarHBondContact O-CB 3.38Å; H196-I199 WeakPolarHBondContact O-CG1 3.16Å; H196-I199 PolarHBondContact O-N 3.03Å; H196-H200 AromaticContact CD2-NE2 3.9Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-CD2 3.8Å; H196-H200 AromaticContact NE2-NE2 3.05Å; H196-H200 PolarHBondContact NE2-NE2 3.03Å
197M74.9Confident73.7Confident55 Ų5573.9 Ų73.927%0.27137%0.367SS..Hα-helixtrans-59.8-25.5177.8-69.8-52-6100112.4C180 L193 T194 I199 H200 T201C180-M197 HydrophobicContact CB-SD 4.18Å; C180-M197 PolarHBondContact SG-SD 2.97Å; L193-M197 HydrophobicContact CD1-CG 4.06Å; L193-M197 HydrophobicContact CD1-SD 3.99Å; L193-M197 HydrophobicContact CG-CG 4.29Å; L193-M197 VanDerWaalsContact O-CG 3.3Å; L193-M197 WeakPolarHBondContact O-CG 3.36Å; L193-M197 PolarHBondContact O-N 3.1Å; T194-M197 PolarHBondContact O-N 2.75Å; M197-I199 PolarHBondContact O-N 3.37Å; M197-H200 PolarHBondContact O-N 2.82Å; M197-T201 PolarHBondContact O-N 2.98Å; M197-T201 VanDerWaalsContact O-N 3.1Å; M197-T201 PolarHBondContact O-OG1 3.07Å
198M71.7Confident73.6Confident51 Ų5173.4 Ų73.425%0.25137%0.365SS..Hα-helixtrans-64.2-20.2175.5-46.7-53-71.500113.2T194 Q195 H196 H200 S202 E203T194-M198 WeakPolarHBondContact O-CG 3.48Å; Q195-M198 WeakPolarHBondContact O-CB 3.44Å; Q195-M198 WeakPolarHBondContact O-CG 3.35Å; Q195-M198 PolarHBondContact O-N 2.74Å; H196-M198 PolarHBondContact O-N 3.15Å; H196-M198 VanDerWaalsContact O-N 3.14Å; M198-H200 VanDerWaalsContact C-N 3.29Å; M198-S202 PolarHBondContact O-N 3.41Å; M198-E203 HydrophobicContact CE-CB 3.37Å; M198-E203 VanDerWaalsContact CE-O 3.25Å; M198-E203 WeakPolarHBondContact CE-O 3.45Å
199I71.1Confident73.6Confident120 Ų12073.8 Ų73.862%0.61539%0.39SS*.Hα-helixtrans-68.1-33.8172.7-57.9174.1000110.4H196 M197H196-I199 VanDerWaalsContact O-CB 3.28Å; H196-I199 WeakPolarHBondContact O-CB 3.38Å; H196-I199 WeakPolarHBondContact O-CG1 3.16Å; H196-I199 PolarHBondContact O-N 3.03Å; M197-I199 PolarHBondContact O-N 3.37Å
200H74.3Confident73.6Confident68 Ų6875.4 Ų75.432%0.31540%0.402SS..Hα-helixtrans-87-33.7-178.3-58.5-59.3000112.5C180 T182 H196 M197 M198C180-H200 PolarHBondContact SG-NE2 2.84Å; T182-H200 HydrophobicContact CG2-CB 4.24Å; H196-H200 AromaticContact CD2-NE2 3.9Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-CD2 3.8Å; H196-H200 AromaticContact NE2-NE2 3.05Å; H196-H200 PolarHBondContact NE2-NE2 3.03Å; M197-H200 PolarHBondContact O-N 2.82Å; M198-H200 VanDerWaalsContact C-N 3.29Å
201T68.3Low73.6Confident68 Ų6871.3 Ų71.342%0.41739%0.39SS..Hα-helixtrans-91.3-6.9-173.758.60000113.9M197 E203M197-T201 PolarHBondContact O-N 2.98Å; M197-T201 VanDerWaalsContact O-N 3.1Å; M197-T201 PolarHBondContact O-OG1 3.07Å; T201-E203 PolarHBondContact O-N 2.86Å
202S59.8Low73.5Confident113 Ų11368.8 Ų68.879%0.7939%0.394SS*.  trans52.911.3-172.3-60.70000114.3M198M198-S202 PolarHBondContact O-N 3.41Å
203E61.7Low73.1Confident131 Ų13174.1 Ų74.161%0.61242%0.415SS*.PPolyproline II helixtrans-73.7137.5175.5-74.3-174162.700109.2M198 T201 M205M198-E203 HydrophobicContact CE-CB 3.37Å; M198-E203 VanDerWaalsContact CE-O 3.25Å; M198-E203 WeakPolarHBondContact CE-O 3.45Å; T201-E203 PolarHBondContact O-N 2.86Å; E203-M205 PolarHBondContact O-N 3.48Å
204K56.4Low72.8Confident171 Ų17175.9 Ų75.974%0.74343%0.43SS*.PPolyproline II helixtrans-75.4123.8-158.7-128.4178.3-172.3-179.20112.7S207K204-S207 WeakPolarHBondContact CE-OG 3.46Å
205M67.1Low72.6Confident51 Ų5174.4 Ų74.425%0.25142%0.418SS..PPolyproline II helixtrans-56164.7148-81.4-175.1165.500110.5Q195 E203 S207 F215Q195-M205 HydrophobicContact CG-CE 3.41Å; Q195-M205 VanDerWaalsContact CG-CE 3.41Å; E203-M205 PolarHBondContact O-N 3.48Å; M205-S207 VanDerWaalsContact C-N 3.33Å; M205-S207 PolarHBondContact O-N 3.47Å; M205-F215 WeakPolarHBondContact CB-O 3.43Å
206F75.3Confident72.6Confident92 Ų9273.5 Ų73.540%0.40442%0.418SS..EExtended strand (participates in β ladder)trans-66.596.1168.7-64-79.8000108.2F215 Q217 K218 L221F206-F215 HydrophobicContact CB-CB 4.48Å; F206-F215 PolarHBondContact N-O 3.08Å; F206-F215 WeakPolarHBondContact O-CD2 3.33Å; F206-F215 PolarHBondContact O-N 3.38Å; F206-Q217 VanDerWaalsContact CD2-C 3.45Å; F206-K218 HydrophobicContact CD1-CB 3.88Å; F206-K218 HydrophobicContact CD1-CG 4.07Å; F206-K218 HydrophobicContact CD2-CB 4.18Å; F206-K218 HydrophobicContact CE1-CB 3.7Å; F206-K218 HydrophobicContact CE1-CD 4.11Å; F206-K218 HydrophobicContact CE1-CG 4.03Å; F206-K218 HydrophobicContact CE2-CB 4Å; F206-K218 HydrophobicContact CG-CB 4.12Å; F206-K218 HydrophobicContact CZ-CB 3.76Å; F206-L221 HydrophobicContact CB-CB 3.87Å; F206-L221 HydrophobicContact CB-CD2 3.71Å; F206-L221 HydrophobicContact CB-CG 4.39Å
207S76.4Confident72.4Confident34 Ų3477.1 Ų77.124%0.23843%0.434CS..EExtended strand (participates in β ladder)trans-90.4140.4-176.461.20000111.9K204 M205 K213K204-S207 WeakPolarHBondContact CE-OG 3.46Å; M205-S207 VanDerWaalsContact C-N 3.33Å; M205-S207 PolarHBondContact O-N 3.47Å; S207-K213 CarbonylContact C-O 3.6Å; S207-K213 WeakPolarHBondContact CA-O 3.36Å
208C80.5Confident72.6Confident3 Ų380.8 Ų80.82%0.0245%0.449CS..  trans-75125.7167.8-178.90000110.3N210 C211 G212 K213 F215 L221 H224 M225 H228C208-N210 VanDerWaalsContact C-N 3.3Å; C208-N210 PolarHBondContact O-N 2.77Å; C208-N210 PolarHBondContact SG-N 3.07Å; C208-N210 VanDerWaalsContact SG-N 3.39Å; C208-C211 VanDerWaalsContact SG-SG 3.68Å; C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.28Å; C208-G212 PolarHBondContact O-N 3.46Å; C208-K213 PolarHBondContact N-O 2.89Å; C208-F215 HydrophobicContact CB-CE2 4.45Å; C208-L221 HydrophobicContact CB-CD1 3.84Å; C208-H224 WeakPolarHBondContact CB-NE2 3.32Å; C208-H224 PolarHBondContact SG-NE2 3.01Å; C208-H224 VanDerWaalsContact SG-NE2 3.42Å; C208-M225 HydrophobicContact CB-SD 4.35Å; C208-M225 VanDerWaalsContact SG-SD 3.61Å; C208-H228 PolarHBondContact SG-CD2 3.36Å; C208-H228 PolarHBondContact SG-NE2 2.87Å; C208-H228 VanDerWaalsContact SG-NE2 3.35Å
209G79.9Confident73.2Confident75 Ų7582.5 Ų82.577%0.77346%0.464SS*.THydrogen-bonded Turntrans-68-26.5175.700000113.9
210N81.6Confident73.7Confident113 Ų11379.3 Ų79.360%0.60445%0.448SS*.THydrogen-bonded Turntrans-84.1-33.6-174.6-61.565.6000113.7C208C208-N210 VanDerWaalsContact C-N 3.3Å; C208-N210 PolarHBondContact O-N 2.77Å; C208-N210 PolarHBondContact SG-N 3.07Å; C208-N210 VanDerWaalsContact SG-N 3.39Å
211C81.5Confident74.2Confident55 Ų5577.3 Ų77.337%0.37244%0.44SS..THydrogen-bonded Turntrans-130.96-17669.30000114.5C208 K213 H224 H228C208-C211 VanDerWaalsContact SG-SG 3.68Å; C211-K213 PolarHBondContact O-N 3.37Å; C211-H224 VanDerWaalsContact SG-CE1 3.53Å; C211-H224 PolarHBondContact SG-NE2 2.92Å; C211-H228 PolarHBondContact SG-NE2 3.28Å; C211-H228 VanDerWaalsContact SG-NE2 3.39Å
212G73.6Confident75Confident53 Ų5378.1 Ų78.155%0.54645%0.445SS..  trans69.8-3.3177.800000115.6C208C208-G212 VanDerWaalsContact O-CA 3.29Å; C208-G212 WeakPolarHBondContact O-CA 3.28Å; C208-G212 PolarHBondContact O-N 3.46Å
213K71.6Confident76.3Confident127 Ų12777.3 Ų77.355%0.55243%0.428SS*.  trans-63.6136.3-179.8-72.8-178.8-1791750111.7S207 C208 C211 F215S207-K213 CarbonylContact C-O 3.6Å; S207-K213 WeakPolarHBondContact CA-O 3.36Å; C208-K213 PolarHBondContact N-O 2.89Å; C211-K213 PolarHBondContact O-N 3.37Å; K213-F215 HydrophobicContact CB-CE2 3.87Å; K213-F215 HydrophobicContact CB-CZ 4.03Å; K213-F215 WeakPolarHBondContact O-CE2 3.43Å
214S74.8Confident77.4Confident66 Ų6671.7 Ų71.746%0.46240%0.402SS..EExtended strand (participates in β ladder)trans-108.1136-175.5-76.30000112.4
215F75.2Confident78.9Confident42 Ų4266.2 Ų66.218%0.18438%0.38CS..EExtended strand (participates in β ladder)trans-122.2140.4-177.8-59.2-90.1000111.8M205 F206 C208 K213 Q217 N220 L221 H224M205-F215 WeakPolarHBondContact CB-O 3.43Å; F206-F215 HydrophobicContact CB-CB 4.48Å; F206-F215 PolarHBondContact N-O 3.08Å; F206-F215 WeakPolarHBondContact O-CD2 3.33Å; F206-F215 PolarHBondContact O-N 3.38Å; C208-F215 HydrophobicContact CB-CE2 4.45Å; K213-F215 HydrophobicContact CB-CE2 3.87Å; K213-F215 HydrophobicContact CB-CZ 4.03Å; K213-F215 WeakPolarHBondContact O-CE2 3.43Å; F215-Q217 VanDerWaalsContact C-N 3.26Å; F215-Q217 PolarHBondContact O-N 2.9Å; F215-N220 HydrophobicContact CB-CB 4.22Å; F215-N220 HydrophobicContact CD1-CB 3.97Å; F215-N220 HydrophobicContact CG-CB 4.4Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.89Å; F215-L221 HydrophobicContact CD2-CD1 3.64Å; F215-L221 HydrophobicContact CD2-CG 4.38Å; F215-L221 HydrophobicContact CE2-CD1 3.89Å; F215-L221 HydrophobicContact CG-CB 4.15Å; F215-H224 HydrophobicContact CE1-CB 3.75Å; F215-H224 HydrophobicContact CE2-CB 3.74Å; F215-H224 AromaticContact CE2-CD2 3.38Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.34Å; F215-H224 AromaticContact CE2-CG 3.46Å; F215-H224 VanDerWaalsContact CE2-CG 3.46Å; F215-H224 AromaticContact CE2-NE2 3.98Å; F215-H224 HydrophobicContact CZ-CB 3.31Å; F215-H224 AromaticContact CZ-CD2 3.54Å; F215-H224 AromaticContact CZ-CG 3.1Å; F215-H224 AromaticContact CZ-ND1 3.44Å; F215-H224 WeakPolarHBondContact CZ-ND1 3.48Å
216S70.1Confident79.8Confident39 Ų3964.6 Ų64.627%0.27337%0.373SS..SBendtrans-72.3-17.918060.60000114.4
217Q74.2Confident80.4Confident92 Ų9264.2 Ų64.243%0.4337%0.374SS..SBendtrans-141142.2-178.6-56.2-17516.500110.3F191 F206 F215 N220 L221F191-Q217 HydrophobicContact CZ-CG 4.35Å; F206-Q217 VanDerWaalsContact CD2-C 3.45Å; F215-Q217 VanDerWaalsContact C-N 3.26Å; F215-Q217 PolarHBondContact O-N 2.9Å; Q217-N220 WeakPolarHBondContact O-CB 3.34Å; Q217-N220 PolarHBondContact O-N 3.4Å; Q217-N220 VanDerWaalsContact O-N 3.13Å; Q217-L221 PolarHBondContact O-N 3.37Å
218K79.9Confident80.9Confident133 Ų13366 Ų6658%0.57838%0.379SS*.Hα-helixtrans-55.7-43.8179.1-169.9174179.8174.50113.4F206 N220 L221 T222F206-K218 HydrophobicContact CD1-CB 3.88Å; F206-K218 HydrophobicContact CD1-CG 4.07Å; F206-K218 HydrophobicContact CD2-CB 4.18Å; F206-K218 HydrophobicContact CE1-CB 3.7Å; F206-K218 HydrophobicContact CE1-CD 4.11Å; F206-K218 HydrophobicContact CE1-CG 4.03Å; F206-K218 HydrophobicContact CE2-CB 4Å; F206-K218 HydrophobicContact CG-CB 4.12Å; F206-K218 HydrophobicContact CZ-CB 3.76Å; K218-N220 PolarHBondContact O-N 2.86Å; K218-L221 PolarHBondContact O-N 3.4Å; K218-L221 VanDerWaalsContact O-N 3.13Å; K218-T222 PolarHBondContact O-N 3.04Å; K218-T222 PolarHBondContact O-OG1 3.18Å
219P83.3Confident81.2Confident86 Ų8669.7 Ų69.756%0.55840%0.401SS*.Hα-helixtrans-60.4-32.4178.5-24.936.2000113.4T222 Q223P219-T222 PolarHBondContact O-N 3.31Å; P219-Q223 VanDerWaalsContact O-CB 3.32Å; P219-Q223 WeakPolarHBondContact O-CB 3.45Å; P219-Q223 PolarHBondContact O-N 3.18Å
220N82.4Confident81.5Confident54 Ų5468.3 Ų68.329%0.28939%0.387SS..Hα-helixtrans-71.4-39.3177.5-64.8-7.7000111.2F215 Q217 K218 Q223 H224F215-N220 HydrophobicContact CB-CB 4.22Å; F215-N220 HydrophobicContact CD1-CB 3.97Å; F215-N220 HydrophobicContact CG-CB 4.4Å; Q217-N220 WeakPolarHBondContact O-CB 3.34Å; Q217-N220 PolarHBondContact O-N 3.4Å; Q217-N220 VanDerWaalsContact O-N 3.13Å; K218-N220 PolarHBondContact O-N 2.86Å; N220-Q223 PolarHBondContact O-N 3.29Å; N220-H224 VanDerWaalsContact O-CB 3.3Å; N220-H224 WeakPolarHBondContact O-CB 3.36Å; N220-H224 PolarHBondContact O-N 3.46Å
221L84.4Confident81.8Confident26 Ų2668.5 Ų68.514%0.13638%0.384CS..Hα-helixtrans-61.8-49.7170.6173.763.5000110.5F206 C208 F215 Q217 K218 Q223 H224 M225F206-L221 HydrophobicContact CB-CB 3.87Å; F206-L221 HydrophobicContact CB-CD2 3.71Å; F206-L221 HydrophobicContact CB-CG 4.39Å; C208-L221 HydrophobicContact CB-CD1 3.84Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.89Å; F215-L221 HydrophobicContact CD2-CD1 3.64Å; F215-L221 HydrophobicContact CD2-CG 4.38Å; F215-L221 HydrophobicContact CE2-CD1 3.89Å; F215-L221 HydrophobicContact CG-CB 4.15Å; Q217-L221 PolarHBondContact O-N 3.37Å; K218-L221 PolarHBondContact O-N 3.4Å; K218-L221 VanDerWaalsContact O-N 3.13Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 3.24Å; L221-H224 CarbonylContact O-C 3.55Å; L221-H224 WeakPolarHBondContact O-CA 3.46Å; L221-H224 WeakPolarHBondContact O-CB 3.37Å; L221-H224 PolarHBondContact O-N 3.05Å; L221-M225 HydrophobicContact CD1-CG 4.31Å; L221-M225 HydrophobicContact CD1-SD 3.98Å; L221-M225 HydrophobicContact CG-CG 4.42Å; L221-M225 WeakPolarHBondContact O-CG 3.32Å; L221-M225 PolarHBondContact O-N 3.47Å
222T85.8Confident82.2Confident85 Ų8568.8 Ų68.852%0.52138%0.381SS..Hα-helixtrans-56.7-43.9178.7-57.60000111.4K218 P219 M225K218-T222 PolarHBondContact O-N 3.04Å; K218-T222 PolarHBondContact O-OG1 3.18Å; P219-T222 PolarHBondContact O-N 3.31Å; T222-M225 PolarHBondContact O-N 3.46Å
223Q85.7Confident82.9Confident95 Ų9569.8 Ų69.844%0.44438%0.377SS..Hα-helixtrans-63.7-41.4174179.2174.174.500111.7P219 N220 L221 M225 T226 H245P219-Q223 VanDerWaalsContact O-CB 3.32Å; P219-Q223 WeakPolarHBondContact O-CB 3.45Å; P219-Q223 PolarHBondContact O-N 3.18Å; N220-Q223 PolarHBondContact O-N 3.29Å; L221-Q223 VanDerWaalsContact C-N 3.28Å; L221-Q223 PolarHBondContact O-N 3.24Å; Q223-M225 VanDerWaalsContact C-N 3.3Å; Q223-M225 PolarHBondContact O-N 3.37Å; Q223-T226 WeakPolarHBondContact O-CB 3.37Å; Q223-T226 PolarHBondContact O-N 3.46Å; Q223-T226 PolarHBondContact O-OG1 3.13Å; Q223-H245 VanDerWaalsContact CD-ND1 3.3Å; Q223-H245 VanDerWaalsContact CG-CE1 3.47Å; Q223-H245 WeakPolarHBondContact CG-CE1 3.47Å; Q223-H245 PolarHBondContact NE2-CE1 3.07Å; Q223-H245 PolarHBondContact NE2-ND1 2.88Å
224H86.3Confident83.9Confident14 Ų1467.1 Ų67.17%0.06537%0.366CS..Hα-helixtrans-62.4-35.8175.4166.876.8000112.6C208 C211 F215 N220 L221 T226 I227 H228C208-H224 WeakPolarHBondContact CB-NE2 3.32Å; C208-H224 PolarHBondContact SG-NE2 3.01Å; C208-H224 VanDerWaalsContact SG-NE2 3.42Å; C211-H224 VanDerWaalsContact SG-CE1 3.53Å; C211-H224 PolarHBondContact SG-NE2 2.92Å; F215-H224 HydrophobicContact CE1-CB 3.75Å; F215-H224 HydrophobicContact CE2-CB 3.74Å; F215-H224 AromaticContact CE2-CD2 3.38Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.34Å; F215-H224 AromaticContact CE2-CG 3.46Å; F215-H224 VanDerWaalsContact CE2-CG 3.46Å; F215-H224 AromaticContact CE2-NE2 3.98Å; F215-H224 HydrophobicContact CZ-CB 3.31Å; F215-H224 AromaticContact CZ-CD2 3.54Å; F215-H224 AromaticContact CZ-CG 3.1Å; F215-H224 AromaticContact CZ-ND1 3.44Å; F215-H224 WeakPolarHBondContact CZ-ND1 3.48Å; N220-H224 VanDerWaalsContact O-CB 3.3Å; N220-H224 WeakPolarHBondContact O-CB 3.36Å; N220-H224 PolarHBondContact O-N 3.46Å; L221-H224 CarbonylContact O-C 3.55Å; L221-H224 WeakPolarHBondContact O-CA 3.46Å; L221-H224 WeakPolarHBondContact O-CB 3.37Å; L221-H224 PolarHBondContact O-N 3.05Å; H224-T226 PolarHBondContact O-N 3.29Å; H224-T226 VanDerWaalsContact O-N 3.07Å; H224-I227 VanDerWaalsContact ND1-CD1 3.31Å; H224-I227 WeakPolarHBondContact ND1-CD1 3.43Å; H224-I227 VanDerWaalsContact O-CB 3.23Å; H224-I227 WeakPolarHBondContact O-CB 3.39Å; H224-I227 WeakPolarHBondContact O-CG1 3.46Å; H224-I227 PolarHBondContact O-N 3.07Å; H224-H228 AromaticContact CE1-NE2 3.81Å; H224-H228 AromaticContact NE2-CD2 3.84Å; H224-H228 AromaticContact NE2-NE2 3.36Å; H224-H228 PolarHBondContact NE2-NE2 2.95Å
225M86.4Confident84.9Confident56 Ų5668.3 Ų68.328%0.27637%0.366SS..Hα-helixtrans-58.3-25.1178.5-66.8-51.3-65.700113C208 L221 T222 Q223 I227 H228 T229C208-M225 HydrophobicContact CB-SD 4.35Å; C208-M225 VanDerWaalsContact SG-SD 3.61Å; L221-M225 HydrophobicContact CD1-CG 4.31Å; L221-M225 HydrophobicContact CD1-SD 3.98Å; L221-M225 HydrophobicContact CG-CG 4.42Å; L221-M225 WeakPolarHBondContact O-CG 3.32Å; L221-M225 PolarHBondContact O-N 3.47Å; T222-M225 PolarHBondContact O-N 3.46Å; Q223-M225 VanDerWaalsContact C-N 3.3Å; Q223-M225 PolarHBondContact O-N 3.37Å; M225-I227 PolarHBondContact O-N 3.16Å; M225-I227 VanDerWaalsContact O-N 3.1Å; M225-H228 PolarHBondContact O-N 3.33Å; M225-T229 PolarHBondContact O-N 2.77Å; M225-T229 PolarHBondContact O-OG1 3.36Å
226T87.4Confident85.8Confident17 Ų1766.3 Ų66.310%0.10436%0.358CS..THydrogen-bonded Turntrans-64-11.9173.169.40000114Q223 H224 T229 G230 E231 R244Q223-T226 WeakPolarHBondContact O-CB 3.37Å; Q223-T226 PolarHBondContact O-N 3.46Å; Q223-T226 PolarHBondContact O-OG1 3.13Å; H224-T226 PolarHBondContact O-N 3.29Å; H224-T226 VanDerWaalsContact O-N 3.07Å; T226-T229 WeakPolarHBondContact CA-OG1 3.31Å; T226-G230 PolarHBondContact O-N 3.35Å; T226-E231 HydrophobicContact CG2-CB 4.47Å; T226-R244 PolarHBondContact O-NE 3.47Å; T226-R244 PolarHBondContact O-NH2 3.33Å; T226-R244 WeakPolarHBondContact OG1-CD 3.44Å; T226-R244 WeakPolarHBondContact OG1-CG 3.47Å; T226-R244 PolarHBondContact OG1-NE 2.91Å
227I87.4Confident86.9Confident83 Ų8370.6 Ų70.643%0.42638%0.382SS..THydrogen-bonded Turntrans-68.3-44.6166.5-67.9155.7000111H224 M225 R244H224-I227 VanDerWaalsContact ND1-CD1 3.31Å; H224-I227 WeakPolarHBondContact ND1-CD1 3.43Å; H224-I227 VanDerWaalsContact O-CB 3.23Å; H224-I227 WeakPolarHBondContact O-CB 3.39Å; H224-I227 WeakPolarHBondContact O-CG1 3.46Å; H224-I227 PolarHBondContact O-N 3.07Å; M225-I227 PolarHBondContact O-N 3.16Å; M225-I227 VanDerWaalsContact O-N 3.1Å; I227-R244 VanDerWaalsContact CA-NH2 3.34Å; I227-R244 VanDerWaalsContact CG1-CZ 3.49Å
228H87.8Confident87.8Confident73 Ų7371.2 Ų71.234%0.33839%0.388SS..THydrogen-bonded Turntrans-81.9-36.7-176-63.2-60.7000112.4C208 C211 H224 M225 G230C208-H228 PolarHBondContact SG-CD2 3.36Å; C208-H228 PolarHBondContact SG-NE2 2.87Å; C208-H228 VanDerWaalsContact SG-NE2 3.35Å; C211-H228 PolarHBondContact SG-NE2 3.28Å; C211-H228 VanDerWaalsContact SG-NE2 3.39Å; H224-H228 AromaticContact CE1-NE2 3.81Å; H224-H228 AromaticContact NE2-CD2 3.84Å; H224-H228 AromaticContact NE2-NE2 3.36Å; H224-H228 PolarHBondContact NE2-NE2 2.95Å; M225-H228 PolarHBondContact O-N 3.33Å; H228-G230 VanDerWaalsContact C-N 3.29Å; H228-G230 PolarHBondContact O-N 3.44Å
229T86.4Confident88.4Confident80 Ų8067.6 Ų67.649%0.49138%0.379SS..SBendtrans-79.6-12.4178.662.50000113.3M225 T226 E231M225-T229 PolarHBondContact O-N 2.77Å; M225-T229 PolarHBondContact O-OG1 3.36Å; T226-T229 WeakPolarHBondContact CA-OG1 3.31Å; T229-E231 PolarHBondContact O-N 3.3Å; T229-E231 VanDerWaalsContact O-N 3.12Å; T229-E231 WeakPolarHBondContact OG1-CG 3.33Å; T229-E231 PolarHBondContact OG1-N 3.1Å
230G85.9Confident88.9Confident46 Ų4665.7 Ų65.747%0.47438%0.375SS..  trans676-173.700000114.1T226 H228 M232T226-G230 PolarHBondContact O-N 3.35Å; H228-G230 VanDerWaalsContact C-N 3.29Å; H228-G230 PolarHBondContact O-N 3.44Å; G230-M232 WeakPolarHBondContact O-CG 3.29Å; G230-M232 PolarHBondContact O-N 2.81Å
231E87.9Confident89.3Confident116 Ų11669.2 Ų69.254%0.54239%0.388SS..  trans-62.5126.7-180-75.1-179.7179.200111.2T226 T229T226-E231 HydrophobicContact CG2-CB 4.47Å; T229-E231 PolarHBondContact O-N 3.3Å; T229-E231 VanDerWaalsContact O-N 3.12Å; T229-E231 WeakPolarHBondContact OG1-CG 3.33Å; T229-E231 PolarHBondContact OG1-N 3.1Å
232M89.2Confident89.7Confident62 Ų6275.3 Ų75.331%0.30541%0.409SS..  trans-125.682.1177.2-62.9-71.1-108.600108.4G230 F234 R242 F243 R244G230-M232 WeakPolarHBondContact O-CG 3.29Å; G230-M232 PolarHBondContact O-N 2.81Å; M232-F234 PolarHBondContact O-N 3.01Å; M232-R242 HydrophobicContact CB-CB 3.47Å; M232-R242 VanDerWaalsContact CB-CB 3.47Å; M232-R242 HydrophobicContact CG-CB 4.4Å; M232-R242 PolarHBondContact O-NE 3.4Å; M232-R242 PolarHBondContact O-NH2 3.32Å; M232-R242 VanDerWaalsContact O-NH2 3.13Å; M232-F243 CarbonylContact C-O 3.49Å; M232-F243 VanDerWaalsContact C-O 3.31Å; M232-F243 WeakPolarHBondContact CA-O 3.45Å; M232-F243 VanDerWaalsContact SD-C 3.59Å; M232-R244 VanDerWaalsContact SD-CA 3.59Å; M232-R244 HydrophobicContact SD-CB 3.57Å; M232-R244 VanDerWaalsContact SD-CB 3.57Å; M232-R244 PolarHBondContact SD-N 2.96Å
233P88.4Confident90Very high73 Ų7373 Ų7347%0.47439%0.392SS..  trans-65.7-21.4-169.4-23.334.7000114.2
234F93Very high90.1Very high72 Ų7271.6 Ų71.632%0.31638%0.382SS..EExtended strand (participates in β ladder)trans-101.3109.3-169.9-56.9-77.5000111M232 R242 F243 R244 H245 K246 L249M232-F234 PolarHBondContact O-N 3.01Å; F234-R242 CarbonylContact O-C 3.5Å; F234-R242 VanDerWaalsContact O-CA 3.32Å; F234-R242 WeakPolarHBondContact O-CA 3.35Å; F234-F243 HydrophobicContact CB-CB 4.24Å; F234-F243 WeakPolarHBondContact CB-O 3.26Å; F234-F243 WeakPolarHBondContact CD2-O 3.43Å; F234-F243 PolarHBondContact N-O 3.2Å; F234-F243 VanDerWaalsContact N-O 3.1Å; F234-F243 PolarHBondContact O-N 3.34Å; F234-R244 WeakPolarHBondContact CD2-O 3.31Å; F234-R244 VanDerWaalsContact CE2-O 3.25Å; F234-R244 WeakPolarHBondContact CE2-O 3.48Å; F234-H245 VanDerWaalsContact CD2-C 3.45Å; F234-K246 HydrophobicContact CD1-CB 4.03Å; F234-K246 HydrophobicContact CD1-CG 4.41Å; F234-K246 HydrophobicContact CE1-CB 3.75Å; F234-K246 HydrophobicContact CE1-CG 4.29Å; F234-K246 HydrophobicContact CE2-CB 4.46Å; F234-K246 HydrophobicContact CZ-CB 3.98Å; F234-L249 HydrophobicContact CB-CB 4.13Å; F234-L249 HydrophobicContact CB-CD2 3.91Å
235L94.6Very high90.1Very high90 Ų9073.8 Ų73.847%0.47139%0.392SS..EExtended strand (participates in β ladder)trans-92.2134.7-179.8179.968.7000111.7G240 R242 L249L235-G240 WeakPolarHBondContact CD1-O 3.36Å; L235-R242 HydrophobicContact CD1-CG 3.85Å; L235-L249 WeakPolarHBondContact O-CD2 3.49Å
236C95.2Very high90.3Very high0 Ų078 Ų780%041%0.409CS..  trans-82.9117.5163.9178.50000109.9N238 G240 K241 F243 L249 H252 M253 H256C236-N238 VanDerWaalsContact C-N 3.29Å; C236-N238 PolarHBondContact O-N 3.3Å; C236-G240 VanDerWaalsContact O-CA 3.25Å; C236-G240 WeakPolarHBondContact O-CA 3.47Å; C236-G240 PolarHBondContact O-N 3.41Å; C236-K241 HydrophobicContact CB-CB 4.48Å; C236-K241 VanDerWaalsContact CB-O 3.29Å; C236-K241 WeakPolarHBondContact CB-O 3.46Å; C236-K241 PolarHBondContact N-O 3.32Å; C236-F243 HydrophobicContact CB-CE2 4.06Å; C236-L249 HydrophobicContact CB-CD1 3.72Å; C236-H252 VanDerWaalsContact SG-CD2 3.59Å; C236-H252 PolarHBondContact SG-NE2 3.32Å; C236-M253 HydrophobicContact CB-SD 4.48Å; C236-M253 VanDerWaalsContact SG-SD 3.62Å; C236-H256 PolarHBondContact SG-NE2 2.88Å; C236-H256 VanDerWaalsContact SG-NE2 3.4Å
237V92.8Very high90.4Very high130 Ų13082.6 Ų82.679%0.78844%0.437SS*.THydrogen-bonded Turntrans-68.3-29.6-178.9-177.40000111.8
238N92.4Very high90.7Very high105 Ų10580.9 Ų80.956%0.56143%0.432SS*.THydrogen-bonded Turntrans-78-27.8-175.5-66.360.6000114.2C236 M253 H256C236-N238 VanDerWaalsContact C-N 3.29Å; C236-N238 PolarHBondContact O-N 3.3Å; N238-M253 WeakPolarHBondContact OD1-CE 3.49Å; N238-H256 HydrophobicContact CB-CB 4.46Å
239C94.4Very high91Very high56 Ų5678.7 Ų78.738%0.37842%0.423SS..THydrogen-bonded Turntrans-138.17.6-177.467.80000115K241 H252 H256C239-K241 PolarHBondContact O-N 3.18Å; C239-H252 PolarHBondContact SG-NE2 2.81Å; C239-H256 PolarHBondContact SG-NE2 3.38Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å
240G91.9Very high91.3Very high46 Ų4678.5 Ų78.547%0.47442%0.422SS..  trans70.4-2.4178.700000115.3L235 C236L235-G240 WeakPolarHBondContact CD1-O 3.36Å; C236-G240 VanDerWaalsContact O-CA 3.25Å; C236-G240 WeakPolarHBondContact O-CA 3.47Å; C236-G240 PolarHBondContact O-N 3.41Å
241K92.6Very high91.6Very high129 Ų12978.8 Ų78.856%0.56141%0.413SS*.  trans-67.1137.4-179.3-71.4-174.5-179.9-174.10111.4C236 C239 F243C236-K241 HydrophobicContact CB-CB 4.48Å; C236-K241 VanDerWaalsContact CB-O 3.29Å; C236-K241 WeakPolarHBondContact CB-O 3.46Å; C236-K241 PolarHBondContact N-O 3.32Å; C239-K241 PolarHBondContact O-N 3.18Å; K241-F243 HydrophobicContact CB-CE2 3.94Å; K241-F243 HydrophobicContact CB-CZ 4.1Å; K241-F243 WeakPolarHBondContact O-CE2 3.44Å
242R92.6Very high91.9Very high153 Ų15374.1 Ų74.158%0.57739%0.391SS*.EExtended strand (participates in β ladder)trans-104.3149.2-179.9-54.8-175.371.5149.33111.5M232 F234 L235M232-R242 HydrophobicContact CB-CB 3.47Å; M232-R242 VanDerWaalsContact CB-CB 3.47Å; M232-R242 HydrophobicContact CG-CB 4.4Å; M232-R242 PolarHBondContact O-NE 3.4Å; M232-R242 PolarHBondContact O-NH2 3.32Å; M232-R242 VanDerWaalsContact O-NH2 3.13Å; F234-R242 CarbonylContact O-C 3.5Å; F234-R242 VanDerWaalsContact O-CA 3.32Å; F234-R242 WeakPolarHBondContact O-CA 3.35Å; L235-R242 HydrophobicContact CD1-CG 3.85Å
243F90.9Very high92.2Very high36 Ų3673.7 Ų73.716%0.15839%0.389CS..EExtended strand (participates in β ladder)trans-133149.5-177.4-60.8-89.4000111.2M232 F234 C236 K241 L249 H252M232-F243 CarbonylContact C-O 3.49Å; M232-F243 VanDerWaalsContact C-O 3.31Å; M232-F243 WeakPolarHBondContact CA-O 3.45Å; M232-F243 VanDerWaalsContact SD-C 3.59Å; F234-F243 HydrophobicContact CB-CB 4.24Å; F234-F243 WeakPolarHBondContact CB-O 3.26Å; F234-F243 WeakPolarHBondContact CD2-O 3.43Å; F234-F243 PolarHBondContact N-O 3.2Å; F234-F243 VanDerWaalsContact N-O 3.1Å; F234-F243 PolarHBondContact O-N 3.34Å; C236-F243 HydrophobicContact CB-CE2 4.06Å; K241-F243 HydrophobicContact CB-CE2 3.94Å; K241-F243 HydrophobicContact CB-CZ 4.1Å; K241-F243 WeakPolarHBondContact O-CE2 3.44Å; F243-L249 HydrophobicContact CB-CB 4.21Å; F243-L249 HydrophobicContact CD2-CB 3.93Å; F243-L249 HydrophobicContact CD2-CD1 3.72Å; F243-L249 HydrophobicContact CD2-CG 4.42Å; F243-L249 HydrophobicContact CE2-CD1 3.91Å; F243-L249 HydrophobicContact CG-CB 4.15Å; F243-H252 HydrophobicContact CE1-CB 3.7Å; F243-H252 AromaticContact CE1-CG 3.91Å; F243-H252 HydrophobicContact CE2-CB 3.96Å; F243-H252 AromaticContact CE2-CD2 3.43Å; F243-H252 VanDerWaalsContact CE2-CD2 3.43Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.38Å; F243-H252 AromaticContact CE2-CG 3.64Å; F243-H252 AromaticContact CE2-NE2 4Å; F243-H252 HydrophobicContact CZ-CB 3.38Å; F243-H252 AromaticContact CZ-CD2 3.39Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.33Å; F243-H252 AromaticContact CZ-CE1 3.96Å; F243-H252 AromaticContact CZ-CG 3.11Å; F243-H252 AromaticContact CZ-ND1 3.5Å; F243-H252 AromaticContact CZ-NE2 3.89Å
244R88.1Confident92.5Very high66 Ų6673.3 Ų73.325%0.24938%0.378CS..SBendtrans-75.8-34.1178-175.5168.3-74.4138.18.4113T226 I227 M232 F234T226-R244 PolarHBondContact O-NE 3.47Å; T226-R244 PolarHBondContact O-NH2 3.33Å; T226-R244 WeakPolarHBondContact OG1-CD 3.44Å; T226-R244 WeakPolarHBondContact OG1-CG 3.47Å; T226-R244 PolarHBondContact OG1-NE 2.91Å; I227-R244 VanDerWaalsContact CA-NH2 3.34Å; I227-R244 VanDerWaalsContact CG1-CZ 3.49Å; M232-R244 VanDerWaalsContact SD-CA 3.59Å; M232-R244 HydrophobicContact SD-CB 3.57Å; M232-R244 VanDerWaalsContact SD-CB 3.57Å; M232-R244 PolarHBondContact SD-N 2.96Å; F234-R244 WeakPolarHBondContact CD2-O 3.31Å; F234-R244 VanDerWaalsContact CE2-O 3.25Å; F234-R244 WeakPolarHBondContact CE2-O 3.48Å
245H87.4Confident92.5Very high60 Ų6075.8 Ų75.828%0.27839%0.393SS..SBendtrans-124.8142.5-175.6-50.1-82.8000110.6Q223 F234 V247 S248 L249Q223-H245 VanDerWaalsContact CD-ND1 3.3Å; Q223-H245 VanDerWaalsContact CG-CE1 3.47Å; Q223-H245 WeakPolarHBondContact CG-CE1 3.47Å; Q223-H245 PolarHBondContact NE2-CE1 3.07Å; Q223-H245 PolarHBondContact NE2-ND1 2.88Å; F234-H245 VanDerWaalsContact CD2-C 3.45Å; H245-V247 VanDerWaalsContact C-N 3.26Å; H245-V247 PolarHBondContact O-N 3.22Å; H245-S248 WeakPolarHBondContact O-CB 3.25Å; H245-S248 PolarHBondContact O-N 3.45Å; H245-S248 VanDerWaalsContact O-N 3.08Å; H245-L249 PolarHBondContact O-N 3.14Å
246K89.6Confident92.4Very high144 Ų14474.9 Ų74.963%0.62639%0.386SS*.Hα-helixtrans-56-41.1175.3-171.7176.1-179.7178.20112.2F234 S248 L249 T250F234-K246 HydrophobicContact CD1-CB 4.03Å; F234-K246 HydrophobicContact CD1-CG 4.41Å; F234-K246 HydrophobicContact CE1-CB 3.75Å; F234-K246 HydrophobicContact CE1-CG 4.29Å; F234-K246 HydrophobicContact CE2-CB 4.46Å; F234-K246 HydrophobicContact CZ-CB 3.98Å; K246-S248 VanDerWaalsContact C-N 3.29Å; K246-S248 PolarHBondContact O-N 3.3Å; K246-L249 WeakPolarHBondContact O-CB 2.97Å; K246-L249 PolarHBondContact O-N 2.76Å; K246-T250 PolarHBondContact O-N 3.46Å; K246-T250 PolarHBondContact O-OG1 3.44Å; K246-T250 VanDerWaalsContact O-OG1 3.14Å
247V89.6Confident92.3Very high114 Ų11478.8 Ų78.869%0.69141%0.41SS*.Hα-helixtrans-61.1-39178.51800000111.4H245 T250 L251H245-V247 VanDerWaalsContact C-N 3.26Å; H245-V247 PolarHBondContact O-N 3.22Å; V247-T250 PolarHBondContact O-N 3.47Å; V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 PolarHBondContact O-N 3.1Å
248S93Very high92.3Very high47 Ų4774.8 Ų74.833%0.32940%0.395SS..Hα-helixtrans-64.9-41.7176.3-52.70000111.5H245 K246 L251 H252H245-S248 WeakPolarHBondContact O-CB 3.25Å; H245-S248 PolarHBondContact O-N 3.45Å; H245-S248 VanDerWaalsContact O-N 3.08Å; K246-S248 VanDerWaalsContact C-N 3.29Å; K246-S248 PolarHBondContact O-N 3.3Å; S248-L251 PolarHBondContact O-N 3.49Å; S248-H252 VanDerWaalsContact O-CB 3.31Å; S248-H252 WeakPolarHBondContact O-CB 3.42Å; S248-H252 PolarHBondContact O-N 2.86Å
249L94.1Very high92.4Very high28 Ų2875 Ų7515%0.14739%0.393CS..Hα-helixtrans-61.5-50.4172.7172.961.8000110.9F234 L235 C236 F243 H245 K246 L251 H252 M253F234-L249 HydrophobicContact CB-CB 4.13Å; F234-L249 HydrophobicContact CB-CD2 3.91Å; L235-L249 WeakPolarHBondContact O-CD2 3.49Å; C236-L249 HydrophobicContact CB-CD1 3.72Å; F243-L249 HydrophobicContact CB-CB 4.21Å; F243-L249 HydrophobicContact CD2-CB 3.93Å; F243-L249 HydrophobicContact CD2-CD1 3.72Å; F243-L249 HydrophobicContact CD2-CG 4.42Å; F243-L249 HydrophobicContact CE2-CD1 3.91Å; F243-L249 HydrophobicContact CG-CB 4.15Å; H245-L249 PolarHBondContact O-N 3.14Å; K246-L249 WeakPolarHBondContact O-CB 2.97Å; K246-L249 PolarHBondContact O-N 2.76Å; L249-L251 VanDerWaalsContact C-N 3.27Å; L249-L251 PolarHBondContact O-N 3.08Å; L249-H252 CarbonylContact O-C 3.16Å; L249-H252 WeakPolarHBondContact O-CA 3.32Å; L249-H252 WeakPolarHBondContact O-CB 3.45Å; L249-H252 PolarHBondContact O-N 3.41Å; L249-M253 HydrophobicContact CD1-CG 4.22Å; L249-M253 HydrophobicContact CD1-SD 4Å; L249-M253 HydrophobicContact CG-CG 4.45Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 2.98Å
250T92.9Very high92.4Very high76 Ų7677.6 Ų77.647%0.46640%0.398SS..Hα-helixtrans-56.2-42.7178.6-590000112K246 V247 M253K246-T250 PolarHBondContact O-N 3.46Å; K246-T250 PolarHBondContact O-OG1 3.44Å; K246-T250 VanDerWaalsContact O-OG1 3.14Å; V247-T250 PolarHBondContact O-N 3.47Å; T250-M253 PolarHBondContact O-N 3.19Å
251L93.4Very high92.4Very high52 Ų5278.5 Ų78.527%0.27240%0.395SS..Hα-helixtrans-66.1-41.6176173.157.8000112V247 S248 L249 M253 R254 Q273V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 PolarHBondContact O-N 3.1Å; S248-L251 PolarHBondContact O-N 3.49Å; L249-L251 VanDerWaalsContact C-N 3.27Å; L249-L251 PolarHBondContact O-N 3.08Å; L251-M253 VanDerWaalsContact C-N 3.31Å; L251-M253 PolarHBondContact O-N 2.78Å; L251-R254 WeakPolarHBondContact O-CB 3.47Å; L251-R254 PolarHBondContact O-N 3.05Å; L251-Q273 HydrophobicContact CD1-CG 3.34Å; L251-Q273 HydrophobicContact CD2-CG 4.16Å; L251-Q273 HydrophobicContact CG-CG 4.31Å
252H94.2Very high92.6Very high18 Ų1875.2 Ų75.28%0.08338%0.381CS..Hα-helixtrans-61.5-38.3175.5167.675000112.4C236 C239 F243 S248 L249 R254 I255 H256C236-H252 VanDerWaalsContact SG-CD2 3.59Å; C236-H252 PolarHBondContact SG-NE2 3.32Å; C239-H252 PolarHBondContact SG-NE2 2.81Å; F243-H252 HydrophobicContact CE1-CB 3.7Å; F243-H252 AromaticContact CE1-CG 3.91Å; F243-H252 HydrophobicContact CE2-CB 3.96Å; F243-H252 AromaticContact CE2-CD2 3.43Å; F243-H252 VanDerWaalsContact CE2-CD2 3.43Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.38Å; F243-H252 AromaticContact CE2-CG 3.64Å; F243-H252 AromaticContact CE2-NE2 4Å; F243-H252 HydrophobicContact CZ-CB 3.38Å; F243-H252 AromaticContact CZ-CD2 3.39Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.33Å; F243-H252 AromaticContact CZ-CE1 3.96Å; F243-H252 AromaticContact CZ-CG 3.11Å; F243-H252 AromaticContact CZ-ND1 3.5Å; F243-H252 AromaticContact CZ-NE2 3.89Å; S248-H252 VanDerWaalsContact O-CB 3.31Å; S248-H252 WeakPolarHBondContact O-CB 3.42Å; S248-H252 PolarHBondContact O-N 2.86Å; L249-H252 CarbonylContact O-C 3.16Å; L249-H252 WeakPolarHBondContact O-CA 3.32Å; L249-H252 WeakPolarHBondContact O-CB 3.45Å; L249-H252 PolarHBondContact O-N 3.41Å; H252-R254 PolarHBondContact O-N 3.14Å; H252-I255 VanDerWaalsContact O-CB 3.29Å; H252-I255 WeakPolarHBondContact O-CB 3.2Å; H252-I255 WeakPolarHBondContact O-CG1 3.3Å; H252-I255 PolarHBondContact O-N 3.36Å; H252-H256 AromaticContact CE1-NE2 3.81Å; H252-H256 AromaticContact NE2-CD2 3.85Å; H252-H256 AromaticContact NE2-NE2 3.29Å; H252-H256 PolarHBondContact NE2-NE2 2.86Å
253M94.3Very high92.8Very high53 Ų5372.2 Ų72.226%0.26138%0.376SS..Hα-helixtrans-56.4-25.9178-67.8-52.2-65.900112.9C236 N238 L249 T250 L251 I255 H256 T257C236-M253 HydrophobicContact CB-SD 4.48Å; C236-M253 VanDerWaalsContact SG-SD 3.62Å; N238-M253 WeakPolarHBondContact OD1-CE 3.49Å; L249-M253 HydrophobicContact CD1-CG 4.22Å; L249-M253 HydrophobicContact CD1-SD 4Å; L249-M253 HydrophobicContact CG-CG 4.45Å; L249-M253 WeakPolarHBondContact O-CG 3.47Å; L249-M253 PolarHBondContact O-N 2.98Å; T250-M253 PolarHBondContact O-N 3.19Å; L251-M253 VanDerWaalsContact C-N 3.31Å; L251-M253 PolarHBondContact O-N 2.78Å; M253-I255 PolarHBondContact O-N 3.13Å; M253-I255 VanDerWaalsContact O-N 3.16Å; M253-H256 PolarHBondContact O-N 3.22Å; M253-T257 PolarHBondContact O-N 2.98Å; M253-T257 PolarHBondContact O-OG1 3.32Å
254R94.6Very high93Very high65 Ų6570.5 Ų70.525%0.24537%0.369CS..Hα-helixtrans-62-20.5174.5-60.5-173.8-179.1153.54.1113.9L251 H252 H256 T257 G258 E259 S272L251-R254 WeakPolarHBondContact O-CB 3.47Å; L251-R254 PolarHBondContact O-N 3.05Å; H252-R254 PolarHBondContact O-N 3.14Å; R254-H256 VanDerWaalsContact C-N 3.34Å; R254-T257 WeakPolarHBondContact CA-OG1 3.29Å; R254-G258 WeakPolarHBondContact O-CA 3.25Å; R254-G258 PolarHBondContact O-N 3.36Å; R254-E259 HydrophobicContact CB-CB 4.37Å; R254-E259 HydrophobicContact CG-CB 4.2Å; R254-E259 PolarHBondContact O-N 3.29Å; R254-S272 PolarHBondContact NH1-O 2.84Å
255I93.4Very high93.3Very high124 Ų12473.4 Ų73.464%0.63639%0.393SS*.Hα-helixtrans-69.2-37.3172.9-60.3175.6000110.2H252 M253H252-I255 VanDerWaalsContact O-CB 3.29Å; H252-I255 WeakPolarHBondContact O-CB 3.2Å; H252-I255 WeakPolarHBondContact O-CG1 3.3Å; H252-I255 PolarHBondContact O-N 3.36Å; M253-I255 PolarHBondContact O-N 3.13Å; M253-I255 VanDerWaalsContact O-N 3.16Å
256H94Very high93.6Very high71 Ų7174.7 Ų74.733%0.32941%0.405SS..Hα-helixtrans-80.2-41.3179.6-63.7-59000112.2C236 N238 C239 H252 M253 R254 G258C236-H256 PolarHBondContact SG-NE2 2.88Å; C236-H256 VanDerWaalsContact SG-NE2 3.4Å; N238-H256 HydrophobicContact CB-CB 4.46Å; C239-H256 PolarHBondContact SG-NE2 3.38Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å; H252-H256 AromaticContact CE1-NE2 3.81Å; H252-H256 AromaticContact NE2-CD2 3.85Å; H252-H256 AromaticContact NE2-NE2 3.29Å; H252-H256 PolarHBondContact NE2-NE2 2.86Å; M253-H256 PolarHBondContact O-N 3.22Å; R254-H256 VanDerWaalsContact C-N 3.34Å; H256-G258 VanDerWaalsContact C-N 3.32Å
257T93.2Very high93.9Very high81 Ų8170.5 Ų70.550%0.49739%0.393SS..Hα-helixtrans-79.4-17179.662.90000113.1M253 R254 E259M253-T257 PolarHBondContact O-N 2.98Å; M253-T257 PolarHBondContact O-OG1 3.32Å; R254-T257 WeakPolarHBondContact CA-OG1 3.29Å; T257-E259 PolarHBondContact O-N 3.48Å; T257-E259 WeakPolarHBondContact OG1-CG 3.28Å; T257-E259 PolarHBondContact OG1-N 3.27Å
258G92.6Very high94.1Very high47 Ų4767.4 Ų67.449%0.48539%0.385SS..  trans726.7-17400000114R254 H256 K260R254-G258 WeakPolarHBondContact O-CA 3.25Å; R254-G258 PolarHBondContact O-N 3.36Å; H256-G258 VanDerWaalsContact C-N 3.32Å; G258-K260 PolarHBondContact O-N 3.09Å
259E93.6Very high94.2Very high110 Ų11071.3 Ų71.351%0.51440%0.396SS..  trans-59.3122.8-178.6-80.3-179.6-171.900112.2R254 T257R254-E259 HydrophobicContact CB-CB 4.37Å; R254-E259 HydrophobicContact CG-CB 4.2Å; R254-E259 PolarHBondContact O-N 3.29Å; T257-E259 PolarHBondContact O-N 3.48Å; T257-E259 WeakPolarHBondContact OG1-CG 3.28Å; T257-E259 PolarHBondContact OG1-N 3.27Å
260K94.6Very high94.3Very high110 Ų11077 Ų7748%0.47842%0.415SS..  trans-128.978.8176.6-68.6172.7177.6-177.90110.3G258 F262 R270 F271G258-K260 PolarHBondContact O-N 3.09Å; K260-F262 PolarHBondContact O-N 2.99Å; K260-R270 HydrophobicContact CB-CB 3.59Å; K260-R270 HydrophobicContact CD-CB 4.25Å; K260-R270 PolarHBondContact O-NE 3.25Å; K260-R270 PolarHBondContact O-NH2 3.01Å; K260-F271 CarbonylContact C-O 3.34Å; K260-F271 VanDerWaalsContact CA-O 3.25Å; K260-F271 WeakPolarHBondContact CA-O 3.29Å
261P92.6Very high94.4Very high64 Ų6475.2 Ų75.242%0.41640%0.401SS..  trans-64.7-25.7-172.3-22.534.4000113.6
262F96.2Very high94.4Very high61 Ų6174.3 Ų74.327%0.26840%0.399SS..EExtended strand (participates in β ladder)trans-97.4115-168.8-55.3-78.4000111.1K260 R270 F271 K274 L277K260-F262 PolarHBondContact O-N 2.99Å; F262-R270 CarbonylContact O-C 3.56Å; F262-R270 VanDerWaalsContact O-CA 3.3Å; F262-R270 WeakPolarHBondContact O-CA 3.48Å; F262-F271 HydrophobicContact CB-CB 4.32Å; F262-F271 WeakPolarHBondContact CD2-O 3.44Å; F262-F271 PolarHBondContact N-O 3.13Å; F262-F271 VanDerWaalsContact N-O 3.09Å; F262-F271 PolarHBondContact O-N 2.96Å; F262-K274 HydrophobicContact CD1-CB 3.91Å; F262-K274 HydrophobicContact CD1-CG 4.33Å; F262-K274 VanDerWaalsContact CD2-N 3.34Å; F262-K274 HydrophobicContact CE1-CB 3.67Å; F262-K274 HydrophobicContact CE1-CG 4.28Å; F262-K274 HydrophobicContact CE2-CB 4.45Å; F262-K274 VanDerWaalsContact CE2-N 3.34Å; F262-K274 HydrophobicContact CG-CB 4.4Å; F262-K274 HydrophobicContact CZ-CB 3.95Å; F262-L277 HydrophobicContact CB-CB 4.15Å; F262-L277 HydrophobicContact CB-CD2 3.87Å
263L96.1Very high94.3Very high90 Ų9076.1 Ų76.147%0.47141%0.408SS..EExtended strand (participates in β ladder)trans-96.6132.5-178.8177.866.6000111.2G268 R270 L277L263-G268 VanDerWaalsContact CD1-O 3.25Å; L263-G268 WeakPolarHBondContact CD1-O 3.35Å; L263-R270 HydrophobicContact CD1-CG 3.82Å; L263-L277 WeakPolarHBondContact O-CD2 3.35Å
264C96.1Very high94.2Very high0 Ų078.1 Ų78.10%042%0.415CS..  trans-79.9113.2163177.50000109.2T266 G268 K269 F271 L277 H280 M281 H284C264-T266 PolarHBondContact O-N 3.39Å; C264-G268 VanDerWaalsContact O-CA 3.23Å; C264-G268 WeakPolarHBondContact O-CA 3.41Å; C264-G268 PolarHBondContact O-N 2.87Å; C264-K269 HydrophobicContact CB-CB 4.44Å; C264-K269 VanDerWaalsContact CB-O 3.27Å; C264-K269 WeakPolarHBondContact CB-O 3.38Å; C264-K269 PolarHBondContact N-O 3.36Å; C264-F271 HydrophobicContact CB-CE2 4.12Å; C264-L277 HydrophobicContact CB-CD1 3.66Å; C264-H280 PolarHBondContact SG-NE2 2.78Å; C264-H280 VanDerWaalsContact SG-NE2 3.38Å; C264-M281 HydrophobicContact CB-SD 4.37Å; C264-H284 PolarHBondContact SG-NE2 3.18Å
265V93.4Very high94.1Very high127 Ų12782 Ų8277%0.7744%0.436SS*.THydrogen-bonded Turntrans-66.7-25.9179.5-640000112.9
266T94.3Very high94.1Very high86 Ų8679.2 Ų79.253%0.52842%0.422SS..THydrogen-bonded Turntrans-78.4-35.6-177.2-47.70000113.3C264 H284C264-T266 PolarHBondContact O-N 3.39Å; T266-H284 HydrophobicContact CG2-CB 4.2Å
267C95.3Very high94.2Very high56 Ų5677 Ų7738%0.37841%0.413SS..THydrogen-bonded Turntrans-131.47.7-176.171.20000115K269 H280 H284C267-K269 PolarHBondContact O-N 3.35Å; C267-H280 PolarHBondContact SG-NE2 3.36Å; C267-H284 PolarHBondContact SG-NE2 3.47Å
268G93.8Very high94.2Very high49 Ų4976.7 Ų76.751%0.50541%0.411SS..  trans71.1-3.1178.900000115.3L263 C264L263-G268 VanDerWaalsContact CD1-O 3.25Å; L263-G268 WeakPolarHBondContact CD1-O 3.35Å; C264-G268 VanDerWaalsContact O-CA 3.23Å; C264-G268 WeakPolarHBondContact O-CA 3.41Å; C264-G268 PolarHBondContact O-N 2.87Å
269K95.8Very high94.3Very high130 Ų13076.8 Ų76.857%0.56540%0.4SS*.  trans-66.3135.8-179.2-74.6-176.6-178.4178.70111.4C264 C267 F271C264-K269 HydrophobicContact CB-CB 4.44Å; C264-K269 VanDerWaalsContact CB-O 3.27Å; C264-K269 WeakPolarHBondContact CB-O 3.38Å; C264-K269 PolarHBondContact N-O 3.36Å; C267-K269 PolarHBondContact O-N 3.35Å; K269-F271 HydrophobicContact CB-CE2 3.94Å; K269-F271 HydrophobicContact CB-CZ 4.12Å; K269-F271 WeakPolarHBondContact O-CE2 3.47Å
270R95.8Very high94.4Very high146 Ų14672.5 Ų72.555%0.55138%0.38SS*.EExtended strand (participates in β ladder)trans-104.9145.3179.7-56.1-174.372.9150.67.3112.3K260 F262 L263K260-R270 HydrophobicContact CB-CB 3.59Å; K260-R270 HydrophobicContact CD-CB 4.25Å; K260-R270 PolarHBondContact O-NE 3.25Å; K260-R270 PolarHBondContact O-NH2 3.01Å; F262-R270 CarbonylContact O-C 3.56Å; F262-R270 VanDerWaalsContact O-CA 3.3Å; F262-R270 WeakPolarHBondContact O-CA 3.48Å; L263-R270 HydrophobicContact CD1-CG 3.82Å
271F94.4Very high94.4Very high40 Ų4069.7 Ų69.718%0.17537%0.369CS..EExtended strand (participates in β ladder)trans-128.1147.3-177.9-59.8-90.5000111.1K260 F262 C264 K269 Q273 N276 L277 H280K260-F271 CarbonylContact C-O 3.34Å; K260-F271 VanDerWaalsContact CA-O 3.25Å; K260-F271 WeakPolarHBondContact CA-O 3.29Å; F262-F271 HydrophobicContact CB-CB 4.32Å; F262-F271 WeakPolarHBondContact CD2-O 3.44Å; F262-F271 PolarHBondContact N-O 3.13Å; F262-F271 VanDerWaalsContact N-O 3.09Å; F262-F271 PolarHBondContact O-N 2.96Å; C264-F271 HydrophobicContact CB-CE2 4.12Å; K269-F271 HydrophobicContact CB-CE2 3.94Å; K269-F271 HydrophobicContact CB-CZ 4.12Å; K269-F271 WeakPolarHBondContact O-CE2 3.47Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; F271-N276 HydrophobicContact CB-CB 4.34Å; F271-N276 HydrophobicContact CD1-CB 3.94Å; F271-N276 HydrophobicContact CG-CB 4.44Å; F271-L277 HydrophobicContact CB-CB 4.27Å; F271-L277 HydrophobicContact CD2-CB 3.9Å; F271-L277 HydrophobicContact CD2-CD1 3.8Å; F271-L277 HydrophobicContact CD2-CG 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.93Å; F271-L277 HydrophobicContact CG-CB 4.18Å; F271-H280 HydrophobicContact CE1-CB 3.82Å; F271-H280 HydrophobicContact CE2-CB 4Å; F271-H280 AromaticContact CE2-CD2 3.42Å; F271-H280 VanDerWaalsContact CE2-CD2 3.42Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.36Å; F271-H280 AromaticContact CE2-CG 3.7Å; F271-H280 HydrophobicContact CZ-CB 3.43Å; F271-H280 VanDerWaalsContact CZ-CB 3.43Å; F271-H280 AromaticContact CZ-CD2 3.38Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.23Å; F271-H280 AromaticContact CZ-CG 3.17Å; F271-H280 AromaticContact CZ-ND1 3.65Å; F271-H280 AromaticContact CZ-NE2 3.91Å
272S93.3Very high94.5Very high32 Ų3269.6 Ų69.622%0.22436%0.36CS..SBendtrans-79.7-11.9176.556.30000113.4R254R254-S272 PolarHBondContact NH1-O 2.84Å
273Q93Very high94.5Very high57 Ų5772.7 Ų72.727%0.26638%0.378SS..SBendtrans-139.9140.3-177.6-63.2-176.946.900111.7L251 F271 Q275 N276 L277L251-Q273 HydrophobicContact CD1-CG 3.34Å; L251-Q273 HydrophobicContact CD2-CG 4.16Å; L251-Q273 HydrophobicContact CG-CG 4.31Å; F271-Q273 VanDerWaalsContact C-N 3.3Å; Q273-Q275 VanDerWaalsContact C-N 3.32Å; Q273-Q275 PolarHBondContact O-N 3.27Å; Q273-N276 HydrophobicContact CB-CB 4.36Å; Q273-N276 PolarHBondContact O-N 3.48Å; Q273-L277 PolarHBondContact O-N 3.43Å
274K92.6Very high94.4Very high94 Ų9472 Ų7241%0.40937%0.373SS..Hα-helixtrans-57.9-43.4176.8-170.7171.8-177.7169.10111.5E33 F262 N276 L277 T278E33-K274 IonicContact OE2-NZ 3.55Å; E33-K274 PolarHBondContact OE2-NZ 3.08Å; F262-K274 HydrophobicContact CD1-CB 3.91Å; F262-K274 HydrophobicContact CD1-CG 4.33Å; F262-K274 VanDerWaalsContact CD2-N 3.34Å; F262-K274 HydrophobicContact CE1-CB 3.67Å; F262-K274 HydrophobicContact CE1-CG 4.28Å; F262-K274 HydrophobicContact CE2-CB 4.45Å; F262-K274 VanDerWaalsContact CE2-N 3.34Å; F262-K274 HydrophobicContact CG-CB 4.4Å; F262-K274 HydrophobicContact CZ-CB 3.95Å; K274-N276 VanDerWaalsContact C-N 3.29Å; K274-N276 PolarHBondContact O-N 2.99Å; K274-L277 WeakPolarHBondContact O-CB 3.38Å; K274-L277 PolarHBondContact O-N 3.13Å; K274-L277 VanDerWaalsContact O-N 3.09Å; K274-T278 PolarHBondContact O-N 2.84Å; K274-T278 PolarHBondContact O-OG1 3.07Å; K274-T278 VanDerWaalsContact O-OG1 3.13Å
275Q92.1Very high94.3Very high146 Ų14675.9 Ų75.968%0.68240%0.396SS*.Hα-helixtrans-58.9-39.4179.8-65.1169.34.100112.4Q273 T278 L279Q273-Q275 VanDerWaalsContact C-N 3.32Å; Q273-Q275 PolarHBondContact O-N 3.27Å; Q275-T278 PolarHBondContact O-N 3.29Å; Q275-L279 WeakPolarHBondContact O-CB 3.41Å; Q275-L279 PolarHBondContact O-N 2.91Å
276N94.5Very high94.3Very high66 Ų6672 Ų7235%0.35338%0.383SS..Hα-helixtrans-68.7-37.7177.1-68.5-13.8000111.7F271 Q273 K274 H280F271-N276 HydrophobicContact CB-CB 4.34Å; F271-N276 HydrophobicContact CD1-CB 3.94Å; F271-N276 HydrophobicContact CG-CB 4.44Å; Q273-N276 HydrophobicContact CB-CB 4.36Å; Q273-N276 PolarHBondContact O-N 3.48Å; K274-N276 VanDerWaalsContact C-N 3.29Å; K274-N276 PolarHBondContact O-N 2.99Å; N276-H280 VanDerWaalsContact O-CB 3.23Å; N276-H280 WeakPolarHBondContact O-CB 3.46Å; N276-H280 PolarHBondContact O-N 3.19Å
277L95.3Very high94.3Very high26 Ų2673.2 Ų73.214%0.13638%0.382CS..Hα-helixtrans-62.4-50.8171.2171.461.8000110.6F262 L263 C264 F271 Q273 K274 L279 H280 M281F262-L277 HydrophobicContact CB-CB 4.15Å; F262-L277 HydrophobicContact CB-CD2 3.87Å; L263-L277 WeakPolarHBondContact O-CD2 3.35Å; C264-L277 HydrophobicContact CB-CD1 3.66Å; F271-L277 HydrophobicContact CB-CB 4.27Å; F271-L277 HydrophobicContact CD2-CB 3.9Å; F271-L277 HydrophobicContact CD2-CD1 3.8Å; F271-L277 HydrophobicContact CD2-CG 4.44Å; F271-L277 HydrophobicContact CE2-CD1 3.93Å; F271-L277 HydrophobicContact CG-CB 4.18Å; Q273-L277 PolarHBondContact O-N 3.43Å; K274-L277 WeakPolarHBondContact O-CB 3.38Å; K274-L277 PolarHBondContact O-N 3.13Å; K274-L277 VanDerWaalsContact O-N 3.09Å; L277-L279 VanDerWaalsContact C-N 3.27Å; L277-L279 PolarHBondContact O-N 2.96Å; L277-H280 CarbonylContact O-C 3.32Å; L277-H280 WeakPolarHBondContact O-CA 3.4Å; L277-H280 WeakPolarHBondContact O-CB 3.3Å; L277-H280 PolarHBondContact O-N 3.1Å; L277-M281 HydrophobicContact CD1-CG 4.16Å; L277-M281 HydrophobicContact CD1-SD 3.95Å; L277-M281 HydrophobicContact CG-CG 4.44Å; L277-M281 WeakPolarHBondContact O-CG 3.32Å; L277-M281 PolarHBondContact O-N 2.58Å
278T93Very high94.3Very high73 Ų7376 Ų7645%0.44839%0.388SS..Hα-helixtrans-55.9-43.6178.4-560000111.9K274 Q275 M281K274-T278 PolarHBondContact O-N 2.84Å; K274-T278 PolarHBondContact O-OG1 3.07Å; K274-T278 VanDerWaalsContact O-OG1 3.13Å; Q275-T278 PolarHBondContact O-N 3.29Å; T278-M281 PolarHBondContact O-N 2.86Å
279L94.6Very high94.2Very high50 Ų5076.6 Ų76.626%0.26238%0.383SS..Hα-helixtrans-65-42.1175.8174.258.9000112Q275 L277 M281 R282 Q301Q275-L279 WeakPolarHBondContact O-CB 3.41Å; Q275-L279 PolarHBondContact O-N 2.91Å; L277-L279 VanDerWaalsContact C-N 3.27Å; L277-L279 PolarHBondContact O-N 2.96Å; L279-M281 VanDerWaalsContact C-N 3.32Å; L279-M281 PolarHBondContact O-N 3.05Å; L279-R282 WeakPolarHBondContact O-CB 3.1Å; L279-R282 PolarHBondContact O-N 3.37Å; L279-Q301 HydrophobicContact CD1-CG 3.35Å; L279-Q301 HydrophobicContact CD2-CG 4.23Å; L279-Q301 HydrophobicContact CG-CG 4.36Å
280H95.5Very high94.2Very high19 Ų1973.2 Ų73.29%0.08837%0.368CS..Hα-helixtrans-62.1-38176167.771.1000112.4C264 C267 F271 N276 L277 R282 I283 H284C264-H280 PolarHBondContact SG-NE2 2.78Å; C264-H280 VanDerWaalsContact SG-NE2 3.38Å; C267-H280 PolarHBondContact SG-NE2 3.36Å; F271-H280 HydrophobicContact CE1-CB 3.82Å; F271-H280 HydrophobicContact CE2-CB 4Å; F271-H280 AromaticContact CE2-CD2 3.42Å; F271-H280 VanDerWaalsContact CE2-CD2 3.42Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.36Å; F271-H280 AromaticContact CE2-CG 3.7Å; F271-H280 HydrophobicContact CZ-CB 3.43Å; F271-H280 VanDerWaalsContact CZ-CB 3.43Å; F271-H280 AromaticContact CZ-CD2 3.38Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.23Å; F271-H280 AromaticContact CZ-CG 3.17Å; F271-H280 AromaticContact CZ-ND1 3.65Å; F271-H280 AromaticContact CZ-NE2 3.91Å; N276-H280 VanDerWaalsContact O-CB 3.23Å; N276-H280 WeakPolarHBondContact O-CB 3.46Å; N276-H280 PolarHBondContact O-N 3.19Å; L277-H280 CarbonylContact O-C 3.32Å; L277-H280 WeakPolarHBondContact O-CA 3.4Å; L277-H280 WeakPolarHBondContact O-CB 3.3Å; L277-H280 PolarHBondContact O-N 3.1Å; H280-R282 PolarHBondContact O-N 3.29Å; H280-R282 VanDerWaalsContact O-N 3.08Å; H280-I283 VanDerWaalsContact O-CB 3.27Å; H280-I283 WeakPolarHBondContact O-CB 3.46Å; H280-I283 WeakPolarHBondContact O-CG1 3.42Å; H280-I283 PolarHBondContact O-N 2.8Å; H280-H284 AromaticContact CE1-NE2 3.67Å; H280-H284 AromaticContact NE2-CD2 3.85Å; H280-H284 AromaticContact NE2-NE2 3.26Å; H280-H284 PolarHBondContact NE2-NE2 3.1Å
281M95.3Very high94.3Very high51 Ų5170.5 Ų70.525%0.25136%0.364SS..Hα-helixtrans-57.2-26.6177.7-67.7-50.7-66.300112.6C264 L277 T278 L279 I283 H284 T285C264-M281 HydrophobicContact CB-SD 4.37Å; L277-M281 HydrophobicContact CD1-CG 4.16Å; L277-M281 HydrophobicContact CD1-SD 3.95Å; L277-M281 HydrophobicContact CG-CG 4.44Å; L277-M281 WeakPolarHBondContact O-CG 3.32Å; L277-M281 PolarHBondContact O-N 2.58Å; T278-M281 PolarHBondContact O-N 2.86Å; L279-M281 VanDerWaalsContact C-N 3.32Å; L279-M281 PolarHBondContact O-N 3.05Å; M281-I283 PolarHBondContact O-N 3.29Å; M281-I283 VanDerWaalsContact O-N 3.16Å; M281-H284 WeakPolarHBondContact O-CB 3.42Å; M281-H284 PolarHBondContact O-N 3.28Å; M281-T285 PolarHBondContact O-N 3.18Å; M281-T285 PolarHBondContact O-OG1 2.86Å
282R95.3Very high94.4Very high63 Ų6368.7 Ų68.724%0.23836%0.356CS..Hα-helixtrans-62.5-20.4174.4-60.1-173.5-179.5151.16.2114L279 H280 H284 T285 G286 E287 S300L279-R282 WeakPolarHBondContact O-CB 3.1Å; L279-R282 PolarHBondContact O-N 3.37Å; H280-R282 PolarHBondContact O-N 3.29Å; H280-R282 VanDerWaalsContact O-N 3.08Å; R282-H284 VanDerWaalsContact C-N 3.34Å; R282-T285 WeakPolarHBondContact CA-OG1 3.4Å; R282-G286 WeakPolarHBondContact O-CA 3.25Å; R282-G286 PolarHBondContact O-N 3.13Å; R282-E287 HydrophobicContact CB-CB 4.34Å; R282-E287 HydrophobicContact CG-CB 4.14Å; R282-E287 PolarHBondContact O-N 3.37Å; R282-S300 PolarHBondContact NH1-O 3.47Å
283I94.6Very high94.5Very high126 Ų12673.3 Ų73.365%0.64638%0.383SS*.Hα-helixtrans-69.7-37.1172.8-59.2175.7000110.1H280 M281H280-I283 VanDerWaalsContact O-CB 3.27Å; H280-I283 WeakPolarHBondContact O-CB 3.46Å; H280-I283 WeakPolarHBondContact O-CG1 3.42Å; H280-I283 PolarHBondContact O-N 2.8Å; M281-I283 PolarHBondContact O-N 3.29Å; M281-I283 VanDerWaalsContact O-N 3.16Å
284H94.4Very high94.5Very high75 Ų7574.6 Ų74.635%0.34740%0.395SS..Hα-helixtrans-79.9-42.3179.3-63.5-56.3000112.1C264 T266 C267 H280 M281 R282 G286C264-H284 PolarHBondContact SG-NE2 3.18Å; T266-H284 HydrophobicContact CG2-CB 4.2Å; C267-H284 PolarHBondContact SG-NE2 3.47Å; H280-H284 AromaticContact CE1-NE2 3.67Å; H280-H284 AromaticContact NE2-CD2 3.85Å; H280-H284 AromaticContact NE2-NE2 3.26Å; H280-H284 PolarHBondContact NE2-NE2 3.1Å; M281-H284 WeakPolarHBondContact O-CB 3.42Å; M281-H284 PolarHBondContact O-N 3.28Å; R282-H284 VanDerWaalsContact C-N 3.34Å; H284-G286 VanDerWaalsContact C-N 3.33Å
285T93.6Very high94.7Very high81 Ų8172.8 Ų72.850%0.49739%0.393SS..Hα-helixtrans-79.7-17.1-179.963.70000113.2M281 R282 E287M281-T285 PolarHBondContact O-N 3.18Å; M281-T285 PolarHBondContact O-OG1 2.86Å; R282-T285 WeakPolarHBondContact CA-OG1 3.4Å; T285-E287 PolarHBondContact O-N 2.88Å; T285-E287 WeakPolarHBondContact OG1-CG 3.5Å; T285-E287 PolarHBondContact OG1-N 3.03Å
286G93.3Very high94.9Very high47 Ų4768 Ų6849%0.48538%0.384SS..  trans72.37-173.700000114.1R282 H284 K288R282-G286 WeakPolarHBondContact O-CA 3.25Å; R282-G286 PolarHBondContact O-N 3.13Å; H284-G286 VanDerWaalsContact C-N 3.33Å; G286-K288 PolarHBondContact O-N 2.96Å
287E94.1Very high95Very high111 Ų11171 Ų7152%0.51939%0.394SS..  trans-59.1122-178.7-80.7-179.4-170.400112.4R282 T285R282-E287 HydrophobicContact CB-CB 4.34Å; R282-E287 HydrophobicContact CG-CB 4.14Å; R282-E287 PolarHBondContact O-N 3.37Å; T285-E287 PolarHBondContact O-N 2.88Å; T285-E287 WeakPolarHBondContact OG1-CG 3.5Å; T285-E287 PolarHBondContact OG1-N 3.03Å
288K95.3Very high95Very high113 Ų11376.8 Ų76.849%0.49141%0.413SS..  trans-127.879.3176.2-67.6172.9179.3-178.10110.4G286 F290 R298 F299G286-K288 PolarHBondContact O-N 2.96Å; K288-F290 PolarHBondContact O-N 3.26Å; K288-R298 HydrophobicContact CB-CB 3.6Å; K288-R298 HydrophobicContact CD-CB 4.21Å; K288-R298 PolarHBondContact O-NE 3.42Å; K288-R298 PolarHBondContact O-NH2 3.49Å; K288-F299 CarbonylContact C-O 3.56Å; K288-F299 VanDerWaalsContact C-O 3.23Å; K288-F299 VanDerWaalsContact CA-O 3.27Å; K288-F299 WeakPolarHBondContact CA-O 3.45Å
289P92.8Very high95.1Very high63 Ų6375.1 Ų75.141%0.40940%0.4SS..  trans-65.8-23.7-172.3-22.134.3000113.8
290F96.6Very high95.1Very high59 Ų5974.3 Ų74.326%0.25940%0.399SS..EExtended strand (participates in β ladder)trans-98.7114.7-169.6-55.1-77.8000110.7K288 R298 F299 K302 L305K288-F290 PolarHBondContact O-N 3.26Å; F290-R298 CarbonylContact O-C 3.58Å; F290-R298 VanDerWaalsContact O-CA 3.3Å; F290-R298 WeakPolarHBondContact O-CA 3.4Å; F290-F299 HydrophobicContact CB-CB 4.34Å; F290-F299 WeakPolarHBondContact CD2-O 3.48Å; F290-F299 PolarHBondContact N-O 2.89Å; F290-F299 VanDerWaalsContact N-O 3.11Å; F290-F299 PolarHBondContact O-N 3.39Å; F290-K302 HydrophobicContact CD1-CB 3.94Å; F290-K302 HydrophobicContact CD1-CG 4.34Å; F290-K302 HydrophobicContact CE1-CB 3.7Å; F290-K302 HydrophobicContact CE1-CG 4.29Å; F290-K302 HydrophobicContact CE2-CB 4.41Å; F290-K302 HydrophobicContact CG-CB 4.39Å; F290-K302 HydrophobicContact CZ-CB 3.95Å; F290-L305 HydrophobicContact CB-CB 4.17Å; F290-L305 HydrophobicContact CB-CD2 3.88Å
291L96.8Very high95Very high89 Ų8976.3 Ų76.347%0.46641%0.408SS..EExtended strand (participates in β ladder)trans-97.4131.5-179177.266.7000110.9G296 R298 L305L291-G296 VanDerWaalsContact CD1-O 3.29Å; L291-G296 WeakPolarHBondContact CD1-O 3.22Å; L291-R298 HydrophobicContact CD1-CG 3.82Å; L291-L305 WeakPolarHBondContact O-CD2 3.35Å
292C96.9Very high94.9Very high1 Ų180.1 Ų80.11%0.00742%0.423CS..  trans-78.4115161.7177.10000108.9T294 C295 G296 K297 F299 L305 M309C292-T294 PolarHBondContact O-N 3.37Å; C292-T294 PolarHBondContact SG-N 2.85Å; C292-C295 PolarHBondContact SG-N 3.45Å; C292-G296 WeakPolarHBondContact O-CA 3.47Å; C292-G296 PolarHBondContact O-N 3.11Å; C292-K297 HydrophobicContact CB-CB 4.45Å; C292-K297 VanDerWaalsContact CB-O 3.29Å; C292-K297 WeakPolarHBondContact CB-O 3.43Å; C292-K297 PolarHBondContact N-O 3.1Å; C292-F299 HydrophobicContact CB-CE2 4.15Å; C292-L305 HydrophobicContact CB-CD1 3.67Å; C292-M309 HydrophobicContact CB-SD 4.39Å
293V94.2Very high94.8Very high129 Ų12984.1 Ų84.178%0.78245%0.445SS*.THydrogen-bonded Turntrans-68.4-25.1178.8-650000112.7
294T95Very high94.8Very high85 Ų8581.1 Ų81.152%0.52143%0.43SS..THydrogen-bonded Turntrans-79.3-38.5-176.3-47.50000113.1C292 H312C292-T294 PolarHBondContact O-N 3.37Å; C292-T294 PolarHBondContact SG-N 2.85Å; T294-H312 HydrophobicContact CG2-CB 4.25Å
295C96.3Very high94.9Very high55 Ų5578.8 Ų78.837%0.37242%0.42SS..THydrogen-bonded Turntrans-127.86.7-176.9720000114.8C292 K297 H308 H312C292-C295 PolarHBondContact SG-N 3.45Å; C295-K297 PolarHBondContact O-N 2.78Å; C295-K297 VanDerWaalsContact O-N 3.08Å; C295-K297 VanDerWaalsContact SG-CG 3.59Å; C295-H308 PolarHBondContact SG-NE2 3.11Å; C295-H312 PolarHBondContact SG-NE2 3.47Å; C295-H312 VanDerWaalsContact SG-NE2 3.39Å
296G94.9Very high94.9Very high47 Ų4778.4 Ų78.449%0.48542%0.418SS..  trans71.9-3.817900000115.3L291 C292 R298L291-G296 VanDerWaalsContact CD1-O 3.29Å; L291-G296 WeakPolarHBondContact CD1-O 3.22Å; C292-G296 WeakPolarHBondContact O-CA 3.47Å; C292-G296 PolarHBondContact O-N 3.11Å; G296-R298 PolarHBondContact O-N 3.5Å
297K96.4Very high95Very high128 Ų12878.8 Ų78.856%0.55741%0.408SS*.  trans-64.6136.8-179.9-74.1-176.9-177.9178.80111.3C292 C295 F299C292-K297 HydrophobicContact CB-CB 4.45Å; C292-K297 VanDerWaalsContact CB-O 3.29Å; C292-K297 WeakPolarHBondContact CB-O 3.43Å; C292-K297 PolarHBondContact N-O 3.1Å; C295-K297 PolarHBondContact O-N 2.78Å; C295-K297 VanDerWaalsContact O-N 3.08Å; C295-K297 VanDerWaalsContact SG-CG 3.59Å; K297-F299 HydrophobicContact CB-CE2 3.87Å; K297-F299 HydrophobicContact CB-CZ 4.01Å; K297-F299 WeakPolarHBondContact O-CE2 3.25Å
298R96.6Very high95Very high147 Ų14774.4 Ų74.456%0.55539%0.388SS*.EExtended strand (participates in β ladder)trans-106.8144.5179.4-56.6-173.972147.55.6111.9K288 F290 L291 G296K288-R298 HydrophobicContact CB-CB 3.6Å; K288-R298 HydrophobicContact CD-CB 4.21Å; K288-R298 PolarHBondContact O-NE 3.42Å; K288-R298 PolarHBondContact O-NH2 3.49Å; F290-R298 CarbonylContact O-C 3.58Å; F290-R298 VanDerWaalsContact O-CA 3.3Å; F290-R298 WeakPolarHBondContact O-CA 3.4Å; L291-R298 HydrophobicContact CD1-CG 3.82Å; G296-R298 PolarHBondContact O-N 3.5Å
299F95.1Very high95Very high38 Ų3871.5 Ų71.517%0.16738%0.376CS..EExtended strand (participates in β ladder)trans-127.7146.5-177.6-58.7-90.3000110.9K288 F290 C292 K297 Q301 N304 L305 H308K288-F299 CarbonylContact C-O 3.56Å; K288-F299 VanDerWaalsContact C-O 3.23Å; K288-F299 VanDerWaalsContact CA-O 3.27Å; K288-F299 WeakPolarHBondContact CA-O 3.45Å; F290-F299 HydrophobicContact CB-CB 4.34Å; F290-F299 WeakPolarHBondContact CD2-O 3.48Å; F290-F299 PolarHBondContact N-O 2.89Å; F290-F299 VanDerWaalsContact N-O 3.11Å; F290-F299 PolarHBondContact O-N 3.39Å; C292-F299 HydrophobicContact CB-CE2 4.15Å; K297-F299 HydrophobicContact CB-CE2 3.87Å; K297-F299 HydrophobicContact CB-CZ 4.01Å; K297-F299 WeakPolarHBondContact O-CE2 3.25Å; F299-Q301 VanDerWaalsContact C-N 3.29Å; F299-N304 HydrophobicContact CB-CB 4.31Å; F299-N304 HydrophobicContact CD1-CB 3.92Å; F299-N304 HydrophobicContact CG-CB 4.41Å; F299-L305 HydrophobicContact CB-CB 4.29Å; F299-L305 HydrophobicContact CD2-CB 3.89Å; F299-L305 HydrophobicContact CD2-CD1 3.81Å; F299-L305 HydrophobicContact CD2-CG 4.44Å; F299-L305 HydrophobicContact CE2-CD1 3.93Å; F299-L305 HydrophobicContact CG-CB 4.19Å; F299-H308 HydrophobicContact CE1-CB 3.87Å; F299-H308 HydrophobicContact CE2-CB 4.03Å; F299-H308 AromaticContact CE2-CD2 3.42Å; F299-H308 VanDerWaalsContact CE2-CD2 3.42Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.16Å; F299-H308 AromaticContact CE2-CG 3.75Å; F299-H308 HydrophobicContact CZ-CB 3.46Å; F299-H308 VanDerWaalsContact CZ-CB 3.46Å; F299-H308 AromaticContact CZ-CD2 3.35Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.17Å; F299-H308 AromaticContact CZ-CG 3.2Å; F299-H308 AromaticContact CZ-ND1 3.73Å; F299-H308 AromaticContact CZ-NE2 3.9Å
300S93.8Very high95.1Very high33 Ų3371.4 Ų71.423%0.23137%0.368CS..SBendtrans-79.1-13.1176.156.50000113.2R282R282-S300 PolarHBondContact NH1-O 3.47Å
301Q94Very high95Very high62 Ų6274.5 Ų74.529%0.2939%0.386SS..SBendtrans-138.5142.1-178.2-63.9-176.649.900111.4L279 F299 Q303 N304 L305L279-Q301 HydrophobicContact CD1-CG 3.35Å; L279-Q301 HydrophobicContact CD2-CG 4.23Å; L279-Q301 HydrophobicContact CG-CG 4.36Å; F299-Q301 VanDerWaalsContact C-N 3.29Å; Q301-Q303 PolarHBondContact O-N 3.14Å; Q301-N304 HydrophobicContact CB-CB 4.42Å; Q301-N304 PolarHBondContact O-N 2.74Å; Q301-L305 PolarHBondContact O-N 3.45Å
302K93.7Very high94.9Very high130 Ų13073.8 Ų73.857%0.56538%0.38SS*.Hα-helixtrans-60.4-42.9177.3-172.1178.8177.6-177.30112F290 N304 L305 T306F290-K302 HydrophobicContact CD1-CB 3.94Å; F290-K302 HydrophobicContact CD1-CG 4.34Å; F290-K302 HydrophobicContact CE1-CB 3.7Å; F290-K302 HydrophobicContact CE1-CG 4.29Å; F290-K302 HydrophobicContact CE2-CB 4.41Å; F290-K302 HydrophobicContact CG-CB 4.39Å; F290-K302 HydrophobicContact CZ-CB 3.95Å; K302-N304 VanDerWaalsContact C-N 3.27Å; K302-N304 PolarHBondContact O-N 3.17Å; K302-L305 WeakPolarHBondContact O-CA 3.48Å; K302-L305 WeakPolarHBondContact O-CB 3.45Å; K302-L305 PolarHBondContact O-N 3.32Å; K302-T306 PolarHBondContact O-N 3.41Å; K302-T306 PolarHBondContact O-OG1 3.41Å
303Q92.9Very high94.7Very high148 Ų14877.6 Ų77.669%0.69240%0.403SS*.Hα-helixtrans-60.2-37.6-179.7-169.4176.717.700112.3Q301 T306 L307Q301-Q303 PolarHBondContact O-N 3.14Å; Q303-T306 PolarHBondContact O-N 3Å; Q303-L307 WeakPolarHBondContact O-CB 3.2Å; Q303-L307 PolarHBondContact O-N 3.12Å
304N94.8Very high94.7Very high63 Ų6373.7 Ų73.734%0.33739%0.389SS..Hα-helixtrans-67.8-37.3176.1-67.3-13000111.7F299 Q301 K302 H308F299-N304 HydrophobicContact CB-CB 4.31Å; F299-N304 HydrophobicContact CD1-CB 3.92Å; F299-N304 HydrophobicContact CG-CB 4.41Å; Q301-N304 HydrophobicContact CB-CB 4.42Å; Q301-N304 PolarHBondContact O-N 2.74Å; K302-N304 VanDerWaalsContact C-N 3.27Å; K302-N304 PolarHBondContact O-N 3.17Å; N304-H308 WeakPolarHBondContact O-CB 3.47Å; N304-H308 PolarHBondContact O-N 2.9Å
305L96Very high94.6Very high26 Ų2674.7 Ų74.714%0.13639%0.388CS..Hα-helixtrans-63.3-49.3171.1171.862000110.7F290 L291 C292 F299 Q301 K302 L307 H308 M309F290-L305 HydrophobicContact CB-CB 4.17Å; F290-L305 HydrophobicContact CB-CD2 3.88Å; L291-L305 WeakPolarHBondContact O-CD2 3.35Å; C292-L305 HydrophobicContact CB-CD1 3.67Å; F299-L305 HydrophobicContact CB-CB 4.29Å; F299-L305 HydrophobicContact CD2-CB 3.89Å; F299-L305 HydrophobicContact CD2-CD1 3.81Å; F299-L305 HydrophobicContact CD2-CG 4.44Å; F299-L305 HydrophobicContact CE2-CD1 3.93Å; F299-L305 HydrophobicContact CG-CB 4.19Å; Q301-L305 PolarHBondContact O-N 3.45Å; K302-L305 WeakPolarHBondContact O-CA 3.48Å; K302-L305 WeakPolarHBondContact O-CB 3.45Å; K302-L305 PolarHBondContact O-N 3.32Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.49Å; L305-H308 CarbonylContact O-C 3.57Å; L305-H308 WeakPolarHBondContact O-CA 3.42Å; L305-H308 WeakPolarHBondContact O-CB 3.37Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.07Å; L305-M309 HydrophobicContact CD1-CG 4.18Å; L305-M309 HydrophobicContact CD1-SD 3.99Å; L305-M309 HydrophobicContact CG-CG 4.47Å; L305-M309 WeakPolarHBondContact O-CG 3.4Å; L305-M309 PolarHBondContact O-N 2.88Å
306T94.1Very high94.5Very high73 Ų7378 Ų7845%0.44840%0.396SS..Hα-helixtrans-57-45.3178.3-590000111.9K302 Q303 H308 M309K302-T306 PolarHBondContact O-N 3.41Å; K302-T306 PolarHBondContact O-OG1 3.41Å; Q303-T306 PolarHBondContact O-N 3Å; T306-H308 VanDerWaalsContact C-N 3.34Å; T306-M309 PolarHBondContact O-N 3.04Å
307L94.2Very high94.4Very high54 Ų5479.2 Ų79.228%0.28340%0.395SS..Hα-helixtrans-62.4-43.3174.917460.1000111.8Q303 L305 M309 R310 L329Q303-L307 WeakPolarHBondContact O-CB 3.2Å; Q303-L307 PolarHBondContact O-N 3.12Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.49Å; L307-M309 VanDerWaalsContact C-N 3.29Å; L307-M309 PolarHBondContact O-N 3.06Å; L307-R310 WeakPolarHBondContact O-CB 3.17Å; L307-R310 PolarHBondContact O-N 3.16Å; L307-L329 HydrophobicContact CD1-CD1 4.39Å; L307-L329 HydrophobicContact CD1-CD2 3.27Å; L307-L329 HydrophobicContact CD1-CG 3.76Å; L307-L329 HydrophobicContact CD2-CD1 4.22Å; L307-L329 HydrophobicContact CD2-CD2 3.72Å; L307-L329 HydrophobicContact CD2-CG 4.37Å; L307-L329 HydrophobicContact CG-CD2 4.12Å
308H95.3Very high94.4Very high19 Ų1976 Ų769%0.08838%0.382CS..Hα-helixtrans-62-37.1177.4169.968.2000112.3C295 F299 N304 L305 T306 R310 I311 H312C295-H308 PolarHBondContact SG-NE2 3.11Å; F299-H308 HydrophobicContact CE1-CB 3.87Å; F299-H308 HydrophobicContact CE2-CB 4.03Å; F299-H308 AromaticContact CE2-CD2 3.42Å; F299-H308 VanDerWaalsContact CE2-CD2 3.42Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.16Å; F299-H308 AromaticContact CE2-CG 3.75Å; F299-H308 HydrophobicContact CZ-CB 3.46Å; F299-H308 VanDerWaalsContact CZ-CB 3.46Å; F299-H308 AromaticContact CZ-CD2 3.35Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.17Å; F299-H308 AromaticContact CZ-CG 3.2Å; F299-H308 AromaticContact CZ-ND1 3.73Å; F299-H308 AromaticContact CZ-NE2 3.9Å; N304-H308 WeakPolarHBondContact O-CB 3.47Å; N304-H308 PolarHBondContact O-N 2.9Å; L305-H308 CarbonylContact O-C 3.57Å; L305-H308 WeakPolarHBondContact O-CA 3.42Å; L305-H308 WeakPolarHBondContact O-CB 3.37Å; L305-H308 PolarHBondContact O-N 3.07Å; L305-H308 VanDerWaalsContact O-N 3.07Å; T306-H308 VanDerWaalsContact C-N 3.34Å; H308-R310 PolarHBondContact O-N 2.99Å; H308-R310 VanDerWaalsContact O-N 3.13Å; H308-I311 VanDerWaalsContact O-CB 3.28Å; H308-I311 WeakPolarHBondContact O-CB 3.34Å; H308-I311 WeakPolarHBondContact O-CG1 3.1Å; H308-I311 PolarHBondContact O-N 2.89Å; H308-H312 AromaticContact CE1-NE2 3.74Å; H308-H312 AromaticContact NE2-CD2 3.91Å; H308-H312 AromaticContact NE2-NE2 3.33Å; H308-H312 PolarHBondContact NE2-NE2 2.95Å
309M95.4Very high94.4Very high52 Ų5272.6 Ų72.626%0.25638%0.38SS..Hα-helixtrans-58.4-26.9177.3-68.6-48.5-6800112.8C292 L305 T306 L307 I311 H312 T313C292-M309 HydrophobicContact CB-SD 4.39Å; L305-M309 HydrophobicContact CD1-CG 4.18Å; L305-M309 HydrophobicContact CD1-SD 3.99Å; L305-M309 HydrophobicContact CG-CG 4.47Å; L305-M309 WeakPolarHBondContact O-CG 3.4Å; L305-M309 PolarHBondContact O-N 2.88Å; T306-M309 PolarHBondContact O-N 3.04Å; L307-M309 VanDerWaalsContact C-N 3.29Å; L307-M309 PolarHBondContact O-N 3.06Å; M309-I311 PolarHBondContact O-N 3.26Å; M309-I311 VanDerWaalsContact O-N 3.17Å; M309-H312 WeakPolarHBondContact O-CB 3.38Å; M309-H312 PolarHBondContact O-N 3.46Å; M309-T313 PolarHBondContact O-N 3.04Å; M309-T313 PolarHBondContact O-OG1 3.3Å
310R94.9Very high94.4Very high62 Ų6270.9 Ų70.923%0.23437%0.373CS..Hα-helixtrans-61.9-22.1174.3-60.7-174.9-179.1158.81.1113.8L307 H308 H312 T313 G314 E315 S328L307-R310 WeakPolarHBondContact O-CB 3.17Å; L307-R310 PolarHBondContact O-N 3.16Å; H308-R310 PolarHBondContact O-N 2.99Å; H308-R310 VanDerWaalsContact O-N 3.13Å; R310-H312 VanDerWaalsContact C-N 3.31Å; R310-T313 WeakPolarHBondContact CA-OG1 3.41Å; R310-G314 WeakPolarHBondContact O-CA 3.32Å; R310-G314 PolarHBondContact O-N 2.88Å; R310-E315 HydrophobicContact CB-CB 4.37Å; R310-E315 HydrophobicContact CG-CB 4.2Å; R310-E315 PolarHBondContact O-N 2.9Å; R310-S328 PolarHBondContact NH1-O 3.19Å
311I94Very high94.4Very high124 Ų12473.2 Ų73.264%0.63640%0.402SS*.Hα-helixtrans-69.1-35.9173.3-58.4176.3000110.2H308 M309H308-I311 VanDerWaalsContact O-CB 3.28Å; H308-I311 WeakPolarHBondContact O-CB 3.34Å; H308-I311 WeakPolarHBondContact O-CG1 3.1Å; H308-I311 PolarHBondContact O-N 2.89Å; M309-I311 PolarHBondContact O-N 3.26Å; M309-I311 VanDerWaalsContact O-N 3.17Å
312H94.4Very high94.3Very high74 Ų7476 Ų7634%0.34342%0.419SS..Hα-helixtrans-81.2-40.7179.4-64.9-56.3000112.4T294 C295 H308 M309 R310 G314T294-H312 HydrophobicContact CG2-CB 4.25Å; C295-H312 PolarHBondContact SG-NE2 3.47Å; C295-H312 VanDerWaalsContact SG-NE2 3.39Å; H308-H312 AromaticContact CE1-NE2 3.74Å; H308-H312 AromaticContact NE2-CD2 3.91Å; H308-H312 AromaticContact NE2-NE2 3.33Å; H308-H312 PolarHBondContact NE2-NE2 2.95Å; M309-H312 WeakPolarHBondContact O-CB 3.38Å; M309-H312 PolarHBondContact O-N 3.46Å; R310-H312 VanDerWaalsContact C-N 3.31Å; H312-G314 VanDerWaalsContact C-N 3.33Å
313T93.6Very high94.4Very high80 Ų8072.4 Ų72.449%0.49141%0.41SS..Hα-helixtrans-80-17.6179.462.70000113M309 R310 E315M309-T313 PolarHBondContact O-N 3.04Å; M309-T313 PolarHBondContact O-OG1 3.3Å; R310-T313 WeakPolarHBondContact CA-OG1 3.41Å; T313-E315 PolarHBondContact O-N 3.47Å; T313-E315 WeakPolarHBondContact OG1-CB 3.37Å; T313-E315 WeakPolarHBondContact OG1-CG 3.43Å; T313-E315 PolarHBondContact OG1-N 3.45Å
314G92.7Very high94.3Very high47 Ų4768 Ų6849%0.48540%0.404SS..  trans73.25.2-173.700000114R310 H312 K316R310-G314 WeakPolarHBondContact O-CA 3.32Å; R310-G314 PolarHBondContact O-N 2.88Å; H312-G314 VanDerWaalsContact C-N 3.33Å; G314-K316 PolarHBondContact O-N 3.02Å
315E93.9Very high94.3Very high106 Ų10671.2 Ų71.250%0.49542%0.415SS..  trans-58.1124.1-179.4-80.4172.9-152.200112.2R310 T313R310-E315 HydrophobicContact CB-CB 4.37Å; R310-E315 HydrophobicContact CG-CB 4.2Å; R310-E315 PolarHBondContact O-N 2.9Å; T313-E315 PolarHBondContact O-N 3.47Å; T313-E315 WeakPolarHBondContact OG1-CB 3.37Å; T313-E315 WeakPolarHBondContact OG1-CG 3.43Å; T313-E315 PolarHBondContact OG1-N 3.45Å
316K94.4Very high94.3Very high125 Ų12572.2 Ų72.254%0.54342%0.424SS..  trans-12977.8177.1-71.5169.6173.6-174.80109.8G314 F318 S326 F327G314-K316 PolarHBondContact O-N 3.02Å; K316-F318 PolarHBondContact O-N 3.07Å; K316-F318 VanDerWaalsContact O-N 3.11Å; K316-S326 WeakPolarHBondContact CD-O 3.38Å; K316-F327 CarbonylContact C-O 3.57Å; K316-F327 VanDerWaalsContact C-O 3.27Å; K316-F327 WeakPolarHBondContact CA-O 3.45Å
317P93.4Very high94.3Very high73 Ų7370.7 Ų70.747%0.47441%0.411SS..  trans-67-14.8-171.1-21.133.9000114.5
318F96.1Very high94.2Very high61 Ų6169.8 Ų69.827%0.26841%0.409SS..EExtended strand (participates in β ladder)trans-109.399.4-171-53.9-73.6000110.4K316 S326 F327 L329 R330 L333K316-F318 PolarHBondContact O-N 3.07Å; K316-F318 VanDerWaalsContact O-N 3.11Å; F318-S326 CarbonylContact O-C 3.47Å; F318-S326 VanDerWaalsContact O-CA 3.31Å; F318-S326 WeakPolarHBondContact O-CA 3.21Å; F318-F327 WeakPolarHBondContact CD2-O 3.46Å; F318-F327 PolarHBondContact N-O 2.96Å; F318-F327 VanDerWaalsContact N-O 3.16Å; F318-F327 PolarHBondContact O-N 3.31Å; F318-L329 VanDerWaalsContact CD2-C 3.45Å; F318-R330 HydrophobicContact CD1-CB 4.03Å; F318-R330 HydrophobicContact CD1-CG 4.42Å; F318-R330 HydrophobicContact CD2-CB 4.46Å; F318-R330 HydrophobicContact CE1-CB 3.91Å; F318-R330 HydrophobicContact CE1-CG 4.47Å; F318-R330 HydrophobicContact CE2-CB 4.34Å; F318-R330 HydrophobicContact CG-CB 4.3Å; F318-R330 HydrophobicContact CZ-CB 4.07Å; F318-L333 HydrophobicContact CB-CB 4.12Å; F318-L333 HydrophobicContact CB-CD2 3.85Å
319S95.7Very high94.1Very high74 Ų7471.3 Ų71.352%0.51742%0.418SS..EExtended strand (participates in β ladder)trans-93.2145.3178.2510000112.4L333S319-L333 WeakPolarHBondContact O-CD2 3.25Å
320C95.8Very high94Very high3 Ų377.4 Ų77.42%0.0244%0.438CS..  trans-86.1119.4172.2178.80000110.2N322 C323 G324 K325 L333C320-N322 VanDerWaalsContact C-N 3.26Å; C320-N322 PolarHBondContact O-N 3.45Å; C320-C323 PolarHBondContact O-N 3.38Å; C320-C323 VanDerWaalsContact SG-SG 3.68Å; C320-G324 VanDerWaalsContact O-CA 3.27Å; C320-G324 WeakPolarHBondContact O-CA 3.44Å; C320-G324 PolarHBondContact O-N 3.49Å; C320-K325 WeakPolarHBondContact CB-O 3.19Å; C320-K325 PolarHBondContact N-O 2.78Å; C320-L333 HydrophobicContact CB-CD1 3.61Å
321G93.9Very high93.8Very high82 Ų8280.4 Ų80.485%0.84546%0.455SS*.THydrogen-bonded Turntrans-60.1-33.5176.500000113.6
322N92.1Very high93.7Very high120 Ų12078.3 Ų78.364%0.64244%0.442SS*.THydrogen-bonded Turntrans-75-27.5-176.5-5873.2000114.4C320C320-N322 VanDerWaalsContact C-N 3.26Å; C320-N322 PolarHBondContact O-N 3.45Å
323C94.8Very high93.8Very high55 Ų5576.2 Ų76.237%0.37243%0.433SS..THydrogen-bonded Turntrans-143.87.5-173.472.10000115.1C320 K325 H336 H340C320-C323 PolarHBondContact O-N 3.38Å; C320-C323 VanDerWaalsContact SG-SG 3.68Å; C323-K325 PolarHBondContact O-N 3.48Å; C323-H336 PolarHBondContact SG-NE2 3.25Å; C323-H340 PolarHBondContact SG-NE2 3.38Å
324G92Very high93.7Very high55 Ų5576.3 Ų76.357%0.56743%0.434SS*.  trans69.5-4178.500000115.6C320 S326C320-G324 VanDerWaalsContact O-CA 3.27Å; C320-G324 WeakPolarHBondContact O-CA 3.44Å; C320-G324 PolarHBondContact O-N 3.49Å; G324-S326 PolarHBondContact O-N 3.46Å
325K94.9Very high93.7Very high130 Ų13075.9 Ų75.957%0.56542%0.419SS*.  trans-65.6128.7-179.9-73.3-178.8-179.6175.40111.3C320 C323 F327C320-K325 WeakPolarHBondContact CB-O 3.19Å; C320-K325 PolarHBondContact N-O 2.78Å; C323-K325 PolarHBondContact O-N 3.48Å; K325-F327 HydrophobicContact CB-CE2 4.01Å; K325-F327 HydrophobicContact CB-CZ 4.11Å; K325-F327 WeakPolarHBondContact O-CE2 3.22Å
326S95.4Very high93.7Very high47 Ų4771.8 Ų71.833%0.32940%0.4SS..EExtended strand (participates in β ladder)trans-106147.2179.9-53.80000113.3K316 F318 G324K316-S326 WeakPolarHBondContact CD-O 3.38Å; F318-S326 CarbonylContact O-C 3.47Å; F318-S326 VanDerWaalsContact O-CA 3.31Å; F318-S326 WeakPolarHBondContact O-CA 3.21Å; G324-S326 PolarHBondContact O-N 3.46Å
327F94.2Very high93.6Very high42 Ų4268.1 Ų68.118%0.18439%0.388CS..EExtended strand (participates in β ladder)trans-130149.3-175.6-57.4-89000111K316 F318 K325 L329 H332 L333 H336K316-F327 CarbonylContact C-O 3.57Å; K316-F327 VanDerWaalsContact C-O 3.27Å; K316-F327 WeakPolarHBondContact CA-O 3.45Å; F318-F327 WeakPolarHBondContact CD2-O 3.46Å; F318-F327 PolarHBondContact N-O 2.96Å; F318-F327 VanDerWaalsContact N-O 3.16Å; F318-F327 PolarHBondContact O-N 3.31Å; K325-F327 HydrophobicContact CB-CE2 4.01Å; K325-F327 HydrophobicContact CB-CZ 4.11Å; K325-F327 WeakPolarHBondContact O-CE2 3.22Å; F327-L329 VanDerWaalsContact C-N 3.3Å; F327-H332 HydrophobicContact CB-CB 4.09Å; F327-H332 HydrophobicContact CD1-CB 3.81Å; F327-H332 HydrophobicContact CG-CB 4.15Å; F327-L333 HydrophobicContact CB-CB 4.46Å; F327-L333 HydrophobicContact CD2-CB 3.9Å; F327-L333 HydrophobicContact CD2-CD1 3.93Å; F327-L333 HydrophobicContact CE2-CD1 4.04Å; F327-L333 HydrophobicContact CG-CB 4.4Å; F327-H336 HydrophobicContact CE1-CB 4.09Å; F327-H336 HydrophobicContact CE2-CB 3.79Å; F327-H336 AromaticContact CE2-CD2 3.58Å; F327-H336 AromaticContact CE2-CG 3.64Å; F327-H336 HydrophobicContact CZ-CB 3.43Å; F327-H336 VanDerWaalsContact CZ-CB 3.43Å; F327-H336 AromaticContact CZ-CD2 3.66Å; F327-H336 AromaticContact CZ-CG 3.28Å; F327-H336 AromaticContact CZ-ND1 3.73Å
328S92.5Very high93.6Very high35 Ų3566 Ų6625%0.24537%0.372CS..SBendtrans-79.2-13.4176.656.10000113.4R310R310-S328 PolarHBondContact NH1-O 3.19Å
329L92Very high93.3Very high51 Ų5169 Ų6927%0.26739%0.39SS..SBendtrans-133.7135.4-178.2-76.3175.8000111.3L307 F318 F327 Q331 H332 L333L307-L329 HydrophobicContact CD1-CD1 4.39Å; L307-L329 HydrophobicContact CD1-CD2 3.27Å; L307-L329 HydrophobicContact CD1-CG 3.76Å; L307-L329 HydrophobicContact CD2-CD1 4.22Å; L307-L329 HydrophobicContact CD2-CD2 3.72Å; L307-L329 HydrophobicContact CD2-CG 4.37Å; L307-L329 HydrophobicContact CG-CD2 4.12Å; F318-L329 VanDerWaalsContact CD2-C 3.45Å; F327-L329 VanDerWaalsContact C-N 3.3Å; L329-Q331 VanDerWaalsContact C-N 3.3Å; L329-Q331 PolarHBondContact O-N 3.24Å; L329-H332 HydrophobicContact CB-CB 4.42Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 3.2Å; L329-H332 VanDerWaalsContact O-N 3.11Å; L329-L333 PolarHBondContact O-N 3.1Å
330R92.9Very high93.1Very high180 Ų18069.3 Ų69.368%0.67938%0.383SS*.Hα-helixtrans-58.4-40.3176.6-173.7173.6-179.4168.91.7112.6F318 H332 L333 T334F318-R330 HydrophobicContact CD1-CB 4.03Å; F318-R330 HydrophobicContact CD1-CG 4.42Å; F318-R330 HydrophobicContact CD2-CB 4.46Å; F318-R330 HydrophobicContact CE1-CB 3.91Å; F318-R330 HydrophobicContact CE1-CG 4.47Å; F318-R330 HydrophobicContact CE2-CB 4.34Å; F318-R330 HydrophobicContact CG-CB 4.3Å; F318-R330 HydrophobicContact CZ-CB 4.07Å; R330-H332 VanDerWaalsContact C-N 3.27Å; R330-H332 PolarHBondContact O-N 3.13Å; R330-L333 WeakPolarHBondContact O-CB 3.39Å; R330-L333 PolarHBondContact O-N 3.31Å; R330-L333 VanDerWaalsContact O-N 3.1Å; R330-T334 PolarHBondContact O-N 2.79Å; R330-T334 PolarHBondContact O-OG1 3.04Å
331Q91.1Very high92.9Very high125 Ų12572.8 Ų72.858%0.58440%0.404SS*.Hα-helixtrans-57.8-40.3176.9-178.6-176.4-15.800111.9L329 L333 T334 E335L329-Q331 VanDerWaalsContact C-N 3.3Å; L329-Q331 PolarHBondContact O-N 3.24Å; Q331-L333 VanDerWaalsContact C-N 3.33Å; Q331-L333 PolarHBondContact O-N 3.44Å; Q331-T334 PolarHBondContact O-N 3.28Å; Q331-E335 HydrophobicContact CG-CG 4.47Å; Q331-E335 PolarHBondContact NE2-OE1 3.36Å; Q331-E335 WeakPolarHBondContact O-CB 3.42Å; Q331-E335 WeakPolarHBondContact O-CG 3.46Å; Q331-E335 PolarHBondContact O-N 2.95Å
332H93.1Very high92.7Very high80 Ų8071.2 Ų71.237%0.3739%0.388SS..Hα-helixtrans-67.7-35.7178.3-64.6171.2000111.9F327 L329 R330 H336F327-H332 HydrophobicContact CB-CB 4.09Å; F327-H332 HydrophobicContact CD1-CB 3.81Å; F327-H332 HydrophobicContact CG-CB 4.15Å; L329-H332 HydrophobicContact CB-CB 4.42Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 3.2Å; L329-H332 VanDerWaalsContact O-N 3.11Å; R330-H332 VanDerWaalsContact C-N 3.27Å; R330-H332 PolarHBondContact O-N 3.13Å; H332-H336 WeakPolarHBondContact O-CB 3.38Å; H332-H336 PolarHBondContact O-N 3.25Å
333L94.9Very high92.7Very high29 Ų2971 Ų7115%0.15238%0.383CS..Hα-helixtrans-63.4-49171.4172.961.9000111F318 S319 C320 F327 L329 R330 Q331 E335 H336 V337F318-L333 HydrophobicContact CB-CB 4.12Å; F318-L333 HydrophobicContact CB-CD2 3.85Å; S319-L333 WeakPolarHBondContact O-CD2 3.25Å; C320-L333 HydrophobicContact CB-CD1 3.61Å; F327-L333 HydrophobicContact CB-CB 4.46Å; F327-L333 HydrophobicContact CD2-CB 3.9Å; F327-L333 HydrophobicContact CD2-CD1 3.93Å; F327-L333 HydrophobicContact CE2-CD1 4.04Å; F327-L333 HydrophobicContact CG-CB 4.4Å; L329-L333 PolarHBondContact O-N 3.1Å; R330-L333 WeakPolarHBondContact O-CB 3.39Å; R330-L333 PolarHBondContact O-N 3.31Å; R330-L333 VanDerWaalsContact O-N 3.1Å; Q331-L333 VanDerWaalsContact C-N 3.33Å; Q331-L333 PolarHBondContact O-N 3.44Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 2.81Å; L333-H336 CarbonylContact O-C 3.57Å; L333-H336 WeakPolarHBondContact O-CA 3.4Å; L333-H336 WeakPolarHBondContact O-CB 3.22Å; L333-H336 PolarHBondContact O-N 3.04Å; L333-V337 HydrophobicContact CD1-CG2 4.02Å; L333-V337 HydrophobicContact CG-CG2 4.43Å; L333-V337 WeakPolarHBondContact O-CG2 3.38Å; L333-V337 PolarHBondContact O-N 3.42Å
334T92.8Very high92.6Very high82 Ų8274.4 Ų74.450%0.50339%0.391SS..Hα-helixtrans-57.7-44177.1-55.90000111.5R330 Q331 H336 V337 M338R330-T334 PolarHBondContact O-N 2.79Å; R330-T334 PolarHBondContact O-OG1 3.04Å; Q331-T334 PolarHBondContact O-N 3.28Å; T334-H336 VanDerWaalsContact C-N 3.3Å; T334-H336 PolarHBondContact O-N 3.45Å; T334-V337 PolarHBondContact O-N 3.08Å; T334-M338 PolarHBondContact O-N 3.4Å
335E91.4Very high92.6Very high39 Ų3975.6 Ų75.618%0.18239%0.389CS..Hα-helixtrans-64.2-34.8175.4-73.5179.4-162.100113.5Q331 L333 M338 R357Q331-E335 HydrophobicContact CG-CG 4.47Å; Q331-E335 PolarHBondContact NE2-OE1 3.36Å; Q331-E335 WeakPolarHBondContact O-CB 3.42Å; Q331-E335 WeakPolarHBondContact O-CG 3.46Å; Q331-E335 PolarHBondContact O-N 2.95Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 2.81Å; E335-M338 HydrophobicContact CB-CE 4.16Å; E335-M338 HydrophobicContact CG-CE 3.98Å; E335-R357 IonicContact OE2-CZ 3.4Å; E335-R357 IonicContact OE2-NE 2.78Å; E335-R357 PolarHBondContact OE2-NE 3.42Å; E335-R357 IonicContact OE2-NH2 2.77Å; E335-R357 PolarHBondContact OE2-NH2 2.75Å
336H93.5Very high92.5Very high20 Ų2072.8 Ų72.89%0.09338%0.377CS..Hα-helixtrans-70.6-40176.1172.369.1000112.1C323 F327 H332 L333 T334 M338 I339 H340C323-H336 PolarHBondContact SG-NE2 3.25Å; F327-H336 HydrophobicContact CE1-CB 4.09Å; F327-H336 HydrophobicContact CE2-CB 3.79Å; F327-H336 AromaticContact CE2-CD2 3.58Å; F327-H336 AromaticContact CE2-CG 3.64Å; F327-H336 HydrophobicContact CZ-CB 3.43Å; F327-H336 VanDerWaalsContact CZ-CB 3.43Å; F327-H336 AromaticContact CZ-CD2 3.66Å; F327-H336 AromaticContact CZ-CG 3.28Å; F327-H336 AromaticContact CZ-ND1 3.73Å; H332-H336 WeakPolarHBondContact O-CB 3.38Å; H332-H336 PolarHBondContact O-N 3.25Å; L333-H336 CarbonylContact O-C 3.57Å; L333-H336 WeakPolarHBondContact O-CA 3.4Å; L333-H336 WeakPolarHBondContact O-CB 3.22Å; L333-H336 PolarHBondContact O-N 3.04Å; T334-H336 VanDerWaalsContact C-N 3.3Å; T334-H336 PolarHBondContact O-N 3.45Å; H336-M338 PolarHBondContact O-N 2.89Å; H336-I339 WeakPolarHBondContact O-CB 3.27Å; H336-I339 WeakPolarHBondContact O-CG1 3.45Å; H336-I339 PolarHBondContact O-N 3.03Å; H336-H340 AromaticContact CD2-NE2 3.83Å; H336-H340 AromaticContact CE1-NE2 3.6Å; H336-H340 AromaticContact NE2-CD2 3.89Å; H336-H340 AromaticContact NE2-CE1 3.96Å; H336-H340 AromaticContact NE2-NE2 3.04Å; H336-H340 PolarHBondContact NE2-NE2 2.84Å
337V93.2Very high92.4Very high47 Ų4773.6 Ų73.629%0.28538%0.383SS..Hα-helixtrans-60.8-32.6178.9169.90000111.7L333 T334 I339 H340 T341L333-V337 HydrophobicContact CD1-CG2 4.02Å; L333-V337 HydrophobicContact CG-CG2 4.43Å; L333-V337 WeakPolarHBondContact O-CG2 3.38Å; L333-V337 PolarHBondContact O-N 3.42Å; T334-V337 PolarHBondContact O-N 3.08Å; V337-I339 PolarHBondContact O-N 3.33Å; V337-H340 WeakPolarHBondContact O-CB 3.34Å; V337-H340 PolarHBondContact O-N 3.45Å; V337-T341 HydrophobicContact CG1-CG2 4.12Å; V337-T341 PolarHBondContact O-N 2.86Å; V337-T341 VanDerWaalsContact O-N 3.11Å
338M92.8Very high92.5Very high30 Ų3071.7 Ų71.715%0.14837%0.374CS..Hα-helixtrans-59-19.5173.4-69.5-169.9-79.800113.9T334 E335 H336 T341 G342 E343 P345 S356T334-M338 PolarHBondContact O-N 3.4Å; E335-M338 HydrophobicContact CB-CE 4.16Å; E335-M338 HydrophobicContact CG-CE 3.98Å; H336-M338 PolarHBondContact O-N 2.89Å; M338-T341 WeakPolarHBondContact CA-OG1 3.37Å; M338-G342 WeakPolarHBondContact O-CA 3.4Å; M338-G342 PolarHBondContact O-N 3.33Å; M338-E343 HydrophobicContact CG-CB 4.42Å; M338-P345 HydrophobicContact SD-CG 4.11Å; M338-S356 WeakPolarHBondContact CE-O 3.42Å
339I91.1Very high92.4Very high124 Ų12477 Ų7764%0.63641%0.405SS*.Hα-helixtrans-71.8-37.1174-57173000110.4H336 V337H336-I339 WeakPolarHBondContact O-CB 3.27Å; H336-I339 WeakPolarHBondContact O-CG1 3.45Å; H336-I339 PolarHBondContact O-N 3.03Å; V337-I339 PolarHBondContact O-N 3.33Å
340H91.8Very high92.3Very high79 Ų7978.8 Ų78.837%0.36642%0.422SS..Hα-helixtrans-77.2-40.4179.4-59.8-56.1000111.7C323 H336 V337C323-H340 PolarHBondContact SG-NE2 3.38Å; H336-H340 AromaticContact CD2-NE2 3.83Å; H336-H340 AromaticContact CE1-NE2 3.6Å; H336-H340 AromaticContact NE2-CD2 3.89Å; H336-H340 AromaticContact NE2-CE1 3.96Å; H336-H340 AromaticContact NE2-NE2 3.04Å; H336-H340 PolarHBondContact NE2-NE2 2.84Å; V337-H340 WeakPolarHBondContact O-CB 3.34Å; V337-H340 PolarHBondContact O-N 3.45Å
341T90.9Very high92.4Very high76 Ų7672.9 Ų72.947%0.46641%0.407SS..Hα-helixtrans-80.6-18.2-179.562.80000113.1V337 M338 E343V337-T341 HydrophobicContact CG1-CG2 4.12Å; V337-T341 PolarHBondContact O-N 2.86Å; V337-T341 VanDerWaalsContact O-N 3.11Å; M338-T341 WeakPolarHBondContact CA-OG1 3.37Å; T341-E343 PolarHBondContact O-N 2.88Å; T341-E343 WeakPolarHBondContact OG1-CG 3.48Å; T341-E343 PolarHBondContact OG1-N 2.99Å
342G90.1Very high92.4Very high49 Ų4969.5 Ų69.551%0.50541%0.407SS..  trans715.4-173.800000114M338 K344M338-G342 WeakPolarHBondContact O-CA 3.4Å; M338-G342 PolarHBondContact O-N 3.33Å; G342-K344 PolarHBondContact O-N 3.31Å
343E91.8Very high92.4Very high117 Ų11771.9 Ų71.955%0.54742%0.416SS..  trans-61.4131.2-179.3-75.5-178.4-176.100111.9M338 T341M338-E343 HydrophobicContact CG-CB 4.42Å; T341-E343 PolarHBondContact O-N 2.88Å; T341-E343 WeakPolarHBondContact OG1-CG 3.48Å; T341-E343 PolarHBondContact OG1-N 2.99Å
344K91.8Very high92.4Very high125 Ų12572.5 Ų72.554%0.54342%0.423SS..  trans-131.779.1178.3-69.6174.8180179.90109.9G342 F346 S354 F355G342-K344 PolarHBondContact O-N 3.31Å; K344-F346 PolarHBondContact O-N 2.63Å; K344-F346 VanDerWaalsContact O-N 3.08Å; K344-S354 WeakPolarHBondContact CD-O 3.39Å; K344-F355 CarbonylContact C-O 3.23Å; K344-F355 WeakPolarHBondContact CA-O 3.3Å
345P91.6Very high92.3Very high80 Ų8070.6 Ų70.652%0.51941%0.408SS..  trans-66-16.5-170.5-21.233.1000114.4M338M338-P345 HydrophobicContact SD-CG 4.11Å
346F93.7Very high92.2Very high71 Ų7170.7 Ų70.731%0.31141%0.412SS..EExtended strand (participates in β ladder)trans-106.498.3-171.8-55.2-75.4000110.8K344 S354 F355 K358 L361K344-F346 PolarHBondContact O-N 2.63Å; K344-F346 VanDerWaalsContact O-N 3.08Å; F346-S354 CarbonylContact O-C 3.5Å; F346-S354 WeakPolarHBondContact O-CA 3.43Å; F346-F355 HydrophobicContact CB-CB 4.48Å; F346-F355 WeakPolarHBondContact CB-O 3.39Å; F346-F355 WeakPolarHBondContact CD2-O 3.49Å; F346-F355 PolarHBondContact N-O 3.09Å; F346-F355 VanDerWaalsContact N-O 3.14Å; F346-F355 PolarHBondContact O-N 3.16Å; F346-K358 HydrophobicContact CD1-CB 3.99Å; F346-K358 HydrophobicContact CD1-CG 4.36Å; F346-K358 HydrophobicContact CE1-CB 3.84Å; F346-K358 HydrophobicContact CE1-CG 4.37Å; F346-K358 HydrophobicContact CE2-CB 4.42Å; F346-K358 HydrophobicContact CG-CB 4.35Å; F346-K358 HydrophobicContact CZ-CB 4.06Å; F346-L361 HydrophobicContact CB-CB 4.12Å; F346-L361 HydrophobicContact CB-CD2 3.89Å
347S94.2Very high92Very high64 Ų6474.2 Ų74.245%0.44843%0.425SS..EExtended strand (participates in β ladder)trans-99139.7-179.1-59.40000112.5S354S347-S354 PolarHBondContact OG-OG 3.2Å
348C94.6Very high91.9Very high2 Ų278.8 Ų78.81%0.01444%0.441CS..  trans-79.5118.9169.2178.50000109.4S350 G352 K353 L361 H364 H368C348-S350 VanDerWaalsContact C-N 3.27Å; C348-S350 PolarHBondContact O-N 2.86Å; C348-G352 VanDerWaalsContact O-CA 3.23Å; C348-G352 WeakPolarHBondContact O-CA 3.4Å; C348-G352 PolarHBondContact O-N 3.44Å; C348-K353 WeakPolarHBondContact CB-O 3.44Å; C348-K353 PolarHBondContact N-O 2.74Å; C348-L361 HydrophobicContact CB-CD1 3.76Å; C348-H364 PolarHBondContact SG-NE2 2.9Å; C348-H368 PolarHBondContact SG-NE2 3.3Å; C348-H368 VanDerWaalsContact SG-NE2 3.41Å
349V91.9Very high91.8Very high147 Ų14785.4 Ų85.489%0.89146%0.464SS*.THydrogen-bonded Turntrans-64.7-34.3178.3-176.10000111.4
350S90.4Very high91.9Very high89 Ų8981.8 Ų81.862%0.62245%0.446SS*.THydrogen-bonded Turntrans-72.9-29.3-175.4-48.40000114.4C348C348-S350 VanDerWaalsContact C-N 3.27Å; C348-S350 PolarHBondContact O-N 2.86Å
351C94.2Very high92Very high55 Ų5579.2 Ų79.237%0.37244%0.435SS..THydrogen-bonded Turntrans-137.97.4-175.873.30000114.8K353 H364C351-K353 PolarHBondContact O-N 3.1Å; C351-H364 PolarHBondContact SG-NE2 2.97Å
352G91.1Very high92.1Very high55 Ų5578.7 Ų78.757%0.56743%0.432SS*.  trans71-6.9178.500000115.8C348 S354C348-G352 VanDerWaalsContact O-CA 3.23Å; C348-G352 WeakPolarHBondContact O-CA 3.4Å; C348-G352 PolarHBondContact O-N 3.44Å; G352-S354 PolarHBondContact O-N 3.09Å
353K93.1Very high92.2Very high129 Ų12982.1 Ų82.156%0.56143%0.434SS*.  trans-64.9127.9-178.8-72.1-176.8-179.31790111.6C348 C351 F355C348-K353 WeakPolarHBondContact CB-O 3.44Å; C348-K353 PolarHBondContact N-O 2.74Å; C351-K353 PolarHBondContact O-N 3.1Å; K353-F355 HydrophobicContact CB-CE2 3.96Å; K353-F355 HydrophobicContact CB-CZ 4.05Å; K353-F355 WeakPolarHBondContact O-CE2 3.33Å
354S93.8Very high92.2Very high43 Ų4377.3 Ų77.330%0.30141%0.412SS..EExtended strand (participates in β ladder)trans-103.5149178.2-500000112.7K344 F346 S347 G352K344-S354 WeakPolarHBondContact CD-O 3.39Å; F346-S354 CarbonylContact O-C 3.5Å; F346-S354 WeakPolarHBondContact O-CA 3.43Å; S347-S354 PolarHBondContact OG-OG 3.2Å; G352-S354 PolarHBondContact O-N 3.09Å
355F91.9Very high92.2Very high42 Ų4274.5 Ų74.518%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-133.2149-177.2-57-89.6000110.6K344 F346 K353 R357 N360 L361 H364K344-F355 CarbonylContact C-O 3.23Å; K344-F355 WeakPolarHBondContact CA-O 3.3Å; F346-F355 HydrophobicContact CB-CB 4.48Å; F346-F355 WeakPolarHBondContact CB-O 3.39Å; F346-F355 WeakPolarHBondContact CD2-O 3.49Å; F346-F355 PolarHBondContact N-O 3.09Å; F346-F355 VanDerWaalsContact N-O 3.14Å; F346-F355 PolarHBondContact O-N 3.16Å; K353-F355 HydrophobicContact CB-CE2 3.96Å; K353-F355 HydrophobicContact CB-CZ 4.05Å; K353-F355 WeakPolarHBondContact O-CE2 3.33Å; F355-R357 VanDerWaalsContact C-N 3.33Å; F355-N360 HydrophobicContact CB-CB 4.19Å; F355-N360 HydrophobicContact CD1-CB 3.91Å; F355-N360 HydrophobicContact CG-CB 4.27Å; F355-L361 HydrophobicContact CB-CB 4.49Å; F355-L361 HydrophobicContact CD2-CB 3.93Å; F355-L361 HydrophobicContact CD2-CD1 3.92Å; F355-L361 HydrophobicContact CE2-CD1 4.02Å; F355-L361 HydrophobicContact CG-CB 4.41Å; F355-H364 HydrophobicContact CE1-CB 4.09Å; F355-H364 HydrophobicContact CE2-CB 3.84Å; F355-H364 AromaticContact CE2-CD2 3.59Å; F355-H364 AromaticContact CE2-CG 3.64Å; F355-H364 HydrophobicContact CZ-CB 3.46Å; F355-H364 VanDerWaalsContact CZ-CB 3.46Å; F355-H364 AromaticContact CZ-CD2 3.71Å; F355-H364 AromaticContact CZ-CG 3.29Å; F355-H364 AromaticContact CZ-ND1 3.71Å
356S89Confident92.2Very high40 Ų4074.8 Ų74.828%0.2839%0.393SS..SBendtrans-79.1-15.4175550000113.2M338M338-S356 WeakPolarHBondContact CE-O 3.42Å
357R89.5Confident92Very high94 Ų9477.3 Ų77.336%0.35541%0.409SS..SBendtrans-130.7134.4-179.3-68.4177.8170153.2-1111.5E335 F355 R359 N360 L361E335-R357 IonicContact OE2-CZ 3.4Å; E335-R357 IonicContact OE2-NE 2.78Å; E335-R357 PolarHBondContact OE2-NE 3.42Å; E335-R357 IonicContact OE2-NH2 2.77Å; E335-R357 PolarHBondContact OE2-NH2 2.75Å; F355-R357 VanDerWaalsContact C-N 3.33Å; R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 3.35Å; R357-N360 HydrophobicContact CB-CB 4.43Å; R357-N360 WeakPolarHBondContact O-CB 3.42Å; R357-N360 PolarHBondContact O-N 3.29Å; R357-L361 PolarHBondContact O-N 3.2Å
358K91.3Very high91.7Very high143 Ų14378.4 Ų78.462%0.62241%0.407SS*.Hα-helixtrans-55.3-41.1175.3-172.3175.5-178.3176.40113F346 N360 L361 T362F346-K358 HydrophobicContact CD1-CB 3.99Å; F346-K358 HydrophobicContact CD1-CG 4.36Å; F346-K358 HydrophobicContact CE1-CB 3.84Å; F346-K358 HydrophobicContact CE1-CG 4.37Å; F346-K358 HydrophobicContact CE2-CB 4.42Å; F346-K358 HydrophobicContact CG-CB 4.35Å; F346-K358 HydrophobicContact CZ-CB 4.06Å; K358-N360 PolarHBondContact O-N 2.83Å; K358-L361 WeakPolarHBondContact O-CB 3.35Å; K358-L361 PolarHBondContact O-N 3.43Å; K358-L361 VanDerWaalsContact O-N 3.17Å; K358-T362 PolarHBondContact O-N 3.1Å; K358-T362 PolarHBondContact O-OG1 3.37Å; K358-T362 VanDerWaalsContact O-OG1 3.14Å
359R91Very high91.4Very high170 Ų17082.5 Ų82.564%0.64243%0.432SS*.Hα-helixtrans-51.8-44.9174.2162.117167.4153.4-6.3112R357 T362 Q363R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 3.35Å; R359-T362 PolarHBondContact O-N 3.1Å; R359-Q363 WeakPolarHBondContact O-CB 3.22Å; R359-Q363 PolarHBondContact O-N 2.99Å
360N93Very high90.9Very high48 Ų4878.1 Ų78.126%0.25742%0.416SS..Hα-helixtrans-70-38.6-176.2-62.66.1000110.1F355 R357 K358 Q363 H364F355-N360 HydrophobicContact CB-CB 4.19Å; F355-N360 HydrophobicContact CD1-CB 3.91Å; F355-N360 HydrophobicContact CG-CB 4.27Å; R357-N360 HydrophobicContact CB-CB 4.43Å; R357-N360 WeakPolarHBondContact O-CB 3.42Å; R357-N360 PolarHBondContact O-N 3.29Å; K358-N360 PolarHBondContact O-N 2.83Å; N360-Q363 PolarHBondContact O-N 3.09Å; N360-H364 VanDerWaalsContact O-CB 3.25Å; N360-H364 WeakPolarHBondContact O-CB 3.37Å; N360-H364 PolarHBondContact O-N 2.86Å
361L94Very high90.6Very high24 Ų2479.7 Ų79.713%0.12641%0.414CS..Hα-helixtrans-60.3-49.1169.8174.762.5000111.1F346 C348 F355 R357 K358 Q363 H364 L365F346-L361 HydrophobicContact CB-CB 4.12Å; F346-L361 HydrophobicContact CB-CD2 3.89Å; C348-L361 HydrophobicContact CB-CD1 3.76Å; F355-L361 HydrophobicContact CB-CB 4.49Å; F355-L361 HydrophobicContact CD2-CB 3.93Å; F355-L361 HydrophobicContact CD2-CD1 3.92Å; F355-L361 HydrophobicContact CE2-CD1 4.02Å; F355-L361 HydrophobicContact CG-CB 4.41Å; R357-L361 PolarHBondContact O-N 3.2Å; K358-L361 WeakPolarHBondContact O-CB 3.35Å; K358-L361 PolarHBondContact O-N 3.43Å; K358-L361 VanDerWaalsContact O-N 3.17Å; L361-Q363 VanDerWaalsContact C-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.13Å; L361-H364 CarbonylContact O-C 3.54Å; L361-H364 WeakPolarHBondContact O-CA 3.34Å; L361-H364 WeakPolarHBondContact O-CB 3.29Å; L361-H364 PolarHBondContact O-N 2.96Å; L361-H364 VanDerWaalsContact O-N 3.08Å; L361-L365 HydrophobicContact CD1-CD1 4.47Å; L361-L365 HydrophobicContact CD1-CD2 4.28Å; L361-L365 HydrophobicContact CD1-CG 4.1Å; L361-L365 HydrophobicContact CG-CD1 4.27Å; L361-L365 HydrophobicContact CG-CG 4.34Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3.4Å
362T92.3Very high89.9Confident65 Ų6586.2 Ų86.240%0.39944%0.436SS..Hα-helixtrans-58.9-41.3178.4-56.40000112.2K358 R359 L365K358-T362 PolarHBondContact O-N 3.1Å; K358-T362 PolarHBondContact O-OG1 3.37Å; K358-T362 VanDerWaalsContact O-OG1 3.14Å; R359-T362 PolarHBondContact O-N 3.1Å; T362-L365 PolarHBondContact O-N 3.5Å
363Q91.2Very high89.2Confident121 Ų12187.1 Ų87.157%0.56543%0.432SS*.Hα-helixtrans-64.6-42.8174.1-176.9179.618.200111.4R359 N360 L361 R366R359-Q363 WeakPolarHBondContact O-CB 3.22Å; R359-Q363 PolarHBondContact O-N 2.99Å; N360-Q363 PolarHBondContact O-N 3.09Å; L361-Q363 VanDerWaalsContact C-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.13Å; Q363-R366 WeakPolarHBondContact O-CB 3.48Å; Q363-R366 PolarHBondContact O-N 3.14Å
364H92.9Very high88.5Confident17 Ų1789.1 Ų89.18%0.07944%0.441CS..Hα-helixtrans-62.8-39.6177.1169.471.9000112.5C348 C351 F355 N360 L361 R366 I367 H368C348-H364 PolarHBondContact SG-NE2 2.9Å; C351-H364 PolarHBondContact SG-NE2 2.97Å; F355-H364 HydrophobicContact CE1-CB 4.09Å; F355-H364 HydrophobicContact CE2-CB 3.84Å; F355-H364 AromaticContact CE2-CD2 3.59Å; F355-H364 AromaticContact CE2-CG 3.64Å; F355-H364 HydrophobicContact CZ-CB 3.46Å; F355-H364 VanDerWaalsContact CZ-CB 3.46Å; F355-H364 AromaticContact CZ-CD2 3.71Å; F355-H364 AromaticContact CZ-CG 3.29Å; F355-H364 AromaticContact CZ-ND1 3.71Å; N360-H364 VanDerWaalsContact O-CB 3.25Å; N360-H364 WeakPolarHBondContact O-CB 3.37Å; N360-H364 PolarHBondContact O-N 2.86Å; L361-H364 CarbonylContact O-C 3.54Å; L361-H364 WeakPolarHBondContact O-CA 3.34Å; L361-H364 WeakPolarHBondContact O-CB 3.29Å; L361-H364 PolarHBondContact O-N 2.96Å; L361-H364 VanDerWaalsContact O-N 3.08Å; H364-R366 PolarHBondContact O-N 3.44Å; H364-R366 VanDerWaalsContact O-N 3.15Å; H364-I367 VanDerWaalsContact O-CB 3.25Å; H364-I367 WeakPolarHBondContact O-CB 3.46Å; H364-I367 WeakPolarHBondContact O-CG1 3.38Å; H364-I367 PolarHBondContact O-N 3.11Å; H364-H368 AromaticContact CD2-NE2 3.91Å; H364-H368 AromaticContact CE1-NE2 3.57Å; H364-H368 AromaticContact NE2-CD2 3.83Å; H364-H368 AromaticContact NE2-NE2 3.04Å; H364-H368 PolarHBondContact NE2-NE2 3.17Å
365L91.8Very high87.5Confident66 Ų6691.8 Ų91.835%0.34646%0.46SS..Hα-helixtrans-59-27.1178-71.2175000112.6L361 T362 I367 H368 T369L361-L365 HydrophobicContact CD1-CD1 4.47Å; L361-L365 HydrophobicContact CD1-CD2 4.28Å; L361-L365 HydrophobicContact CD1-CG 4.1Å; L361-L365 HydrophobicContact CG-CD1 4.27Å; L361-L365 HydrophobicContact CG-CG 4.34Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 3.4Å; T362-L365 PolarHBondContact O-N 3.5Å; L365-I367 PolarHBondContact O-N 2.91Å; L365-H368 PolarHBondContact O-N 3.09Å; L365-H368 VanDerWaalsContact O-N 3.08Å; L365-T369 PolarHBondContact O-N 3.43Å; L365-T369 PolarHBondContact O-OG1 3.26Å
366R90.6Very high86.6Confident85 Ų8594.8 Ų94.832%0.32149%0.485SS..Hα-helixtrans-65.2-22.2175-60.4178-172170.6-0.6113.7Q363 H364 H368 T369 G370 E371Q363-R366 WeakPolarHBondContact O-CB 3.48Å; Q363-R366 PolarHBondContact O-N 3.14Å; H364-R366 PolarHBondContact O-N 3.44Å; H364-R366 VanDerWaalsContact O-N 3.15Å; R366-H368 VanDerWaalsContact C-N 3.3Å; R366-T369 WeakPolarHBondContact CA-OG1 3.44Å; R366-G370 WeakPolarHBondContact O-CA 3.42Å; R366-G370 PolarHBondContact O-N 2.84Å; R366-E371 PolarHBondContact O-N 3.05Å
367I89.9Confident85.6Confident125 Ų12599.6 Ų99.664%0.64151%0.507SS*.Hα-helixtrans-67.3-37.5174.3-57.3172.7000109.8H364 L365H364-I367 VanDerWaalsContact O-CB 3.25Å; H364-I367 WeakPolarHBondContact O-CB 3.46Å; H364-I367 WeakPolarHBondContact O-CG1 3.38Å; H364-I367 PolarHBondContact O-N 3.11Å; L365-I367 PolarHBondContact O-N 2.91Å
368H89.3Confident84.2Confident87 Ų87101.6 Ų101.640%0.40353%0.525SS..Hα-helixtrans-76-36.1178.7-60.7-57000112.3C348 H364 L365 R366C348-H368 PolarHBondContact SG-NE2 3.3Å; C348-H368 VanDerWaalsContact SG-NE2 3.41Å; H364-H368 AromaticContact CD2-NE2 3.91Å; H364-H368 AromaticContact CE1-NE2 3.57Å; H364-H368 AromaticContact NE2-CD2 3.83Å; H364-H368 AromaticContact NE2-NE2 3.04Å; H364-H368 PolarHBondContact NE2-NE2 3.17Å; L365-H368 PolarHBondContact O-N 3.09Å; L365-H368 VanDerWaalsContact O-N 3.08Å; R366-H368 VanDerWaalsContact C-N 3.3Å
369T86.8Confident82.3Confident87 Ų87102.7 Ų102.753%0.53454%0.537SS..Hα-helixtrans-86.6-13.7-179.361.40000113.6L365 R366 E371L365-T369 PolarHBondContact O-N 3.43Å; L365-T369 PolarHBondContact O-OG1 3.26Å; R366-T369 WeakPolarHBondContact CA-OG1 3.44Å; T369-E371 PolarHBondContact O-N 2.81Å; T369-E371 WeakPolarHBondContact OG1-CG 3.45Å
370G82.3Confident80.3Confident55 Ų55104.5 Ų104.557%0.56757%0.567SS**  trans69.66.3-175.200000114.5R366 K372R366-G370 WeakPolarHBondContact O-CA 3.42Å; R366-G370 PolarHBondContact O-N 2.84Å; G370-K372 PolarHBondContact O-N 3.39Å
371E83.6Confident79.7Confident123 Ų123107.3 Ų107.358%0.57558%0.582SS**  trans-65.8117.3-177.7-74.5179.417900111.6R366 T369 P373R366-E371 PolarHBondContact O-N 3.05Å; T369-E371 PolarHBondContact O-N 2.81Å; T369-E371 WeakPolarHBondContact OG1-CG 3.45Å; E371-P373 WeakPolarHBondContact O-CD 3.23Å
372K80.1Confident78.9Confident191 Ų191111.7 Ų111.783%0.8361%0.606SS**  trans-110.579.5170.7-68.4-175.9-177.6176.50110.4G370 F374G370-K372 PolarHBondContact O-N 3.39Å; K372-F374 PolarHBondContact O-N 3.17Å; K372-F374 VanDerWaalsContact O-N 3.14Å
373P76.5Confident78.2Confident75 Ų75114.3 Ų114.349%0.48762%0.618SS.*  trans-71.1-5.4-176.626.3-33.5000114.4E371E371-P373 WeakPolarHBondContact O-CD 3.23Å
374F77.2Confident77.4Confident171 Ų171113.9 Ų113.975%0.7562%0.621SS**  trans-118.9103.9176.8-53.5-69.5000108.5K372K372-F374 PolarHBondContact O-N 3.17Å; K372-F374 VanDerWaalsContact O-N 3.14Å
375S73.3Confident76.5Confident99 Ų99119.9 Ų119.969%0.69266%0.655SS**  trans-89.7135.616839.70000109.3N377S375-N377 PolarHBondContact O-N 3.49Å
376C72.9Confident75.4Confident105 Ų105123.5 Ų123.571%0.70968%0.675SS**  trans-84.4100.3172-149.80000107.6N378C376-N378 PolarHBondContact O-N 3.33Å; C376-N378 VanDerWaalsContact O-N 3.1Å; C376-N378 PolarHBondContact SG-OD1 3.38Å
377N67.5Low74.4Confident140 Ų140126.3 Ų126.375%0.74970%0.701SS**  trans-82.177.7168.5-75.37.2000108.1S375 L379S375-N377 PolarHBondContact O-N 3.49Å; N377-L379 PolarHBondContact O-N 3.38Å
378N59.9Low73.2Confident137 Ų137126.4 Ų126.473%0.73371%0.705SS**  trans-77.697.5164.2-73.7-19000107.1C376 T380C376-N378 PolarHBondContact O-N 3.33Å; C376-N378 VanDerWaalsContact O-N 3.1Å; C376-N378 PolarHBondContact SG-OD1 3.38Å; N378-T380 PolarHBondContact O-N 2.97Å
379L53Low71.8Confident166 Ų166129.7 Ų129.787%0.86973%0.73SS**  trans-66.5115.9158-82.3150.5000106.9N377N377-L379 PolarHBondContact O-N 3.38Å
380T48.8Very low70.5Confident207 Ų207133.5 Ų133.5100%1.2775%0.748SS**  trans-57.50163.144.50000111.7N378N378-T380 PolarHBondContact O-N 2.97Å

Retrieved 380 of 380 residues in 99.9 ms (Link to these results)