KCTD2_HUMAN Loading...

BTB/POZ domain-containing protein KCTD2

AlphaFold DB , UniProt , Accession Q14681, Species HUMAN (Homo sapiens, Human), Gene KCTD2, Length 263 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
1M39.6Very low45.2Very low253 Ų253148.4 Ų148.4100%1.24684%0.841SS**  0108.50-69.6-160.9-11800107.4
2A36Very low44.9Very low91 Ų91142.3 Ų142.375%0.75284%0.835SS**  trans-108.6112.1171.200000106.8L4A2-L4 PolarHBondContact O-N 3.11Å
3E35.7Very low44.9Very low185 Ų185145.6 Ų145.686%0.86485%0.846SS**  trans-72.7110.8163-88.5-177.396.600107.2
4L48Very low44.9Very low147 Ų147141.4 Ų141.477%0.7785%0.849SS**  trans-99.999.4164.6-72.5173.2000107.5A2 L6A2-L4 PolarHBondContact O-N 3.11Å; L4-L6 PolarHBondContact O-N 3.13Å
5Q37.3Very low44.8Very low160 Ų160137.1 Ų137.175%0.74885%0.845SS**  trans-73.5103.8167-164.577.126.400107.5
6L48Very low44.8Very low153 Ų153133.9 Ų133.980%0.80185%0.848SS**  trans-99.7113.6173.9-89.5146.1000109.4L4L4-L6 PolarHBondContact O-N 3.13Å
7D49.1Very low44.6Very low133 Ų133131.2 Ų131.271%0.71185%0.851SS**  trans-70.7135.4177.1-78.2-48.1000111.9A9D7-A9 PolarHBondContact O-N 2.96Å
8P53.9Low44.6Very low129 Ų129128.5 Ų128.584%0.83885%0.851SS**SBendtrans-79.326.2-175.530.5-34.6000115.4M10P8-M10 PolarHBondContact O-N 2.83Å
9A50.2Low44.7Very low89 Ų89128.7 Ų128.774%0.73686%0.856SS**THydrogen-bonded Turntrans-90.916.1-166.900000116.9D7D7-A9 PolarHBondContact O-N 2.96Å
10M49.3Very low44.7Very low189 Ų189126 Ų12693%0.93185%0.85SS**THydrogen-bonded Turntrans-122.312-172-86.2-68.6-131.900117.1P8P8-M10 PolarHBondContact O-N 2.83Å
11A50.8Low45.3Very low103 Ų103126.9 Ų126.985%0.85185%0.852SS**  trans-111.4100.2175.900000111.5
12G40.7Very low45.7Very low75 Ų75118.3 Ų118.377%0.77383%0.829SS**  trans152.567.8164.800000116.2
13L45.3Very low46.6Very low186 Ų186121.6 Ų121.697%0.97483%0.833SS**  trans-117.5126.6161.6-76.8171000109.3
14G44.3Very low47.1Very low87 Ų87116.2 Ų116.290%0.89783%0.828SS**  trans113.3126.9170.600000112.6
15G44.2Very low47.1Very low76 Ų76112.8 Ų112.878%0.78483%0.828SS**  cis163.9151.23.300000108.8
16G44.6Very low47.8Very low86 Ų86108.7 Ų108.789%0.88783%0.828SS**  trans71.5127.7164.700000115.7
17G42.2Very low48.3Very low88 Ų88107.6 Ų107.691%0.90783%0.831SS**  cis108.9110.339.200000108
18G44.3Very low48.7Very low83 Ų83108.6 Ų108.686%0.85684%0.841SS**  trans166.788.317800000114.2
19S45.4Very low48.7Very low133 Ų133114.1 Ų114.193%0.9385%0.846SS**  trans-79.8146.6175.3-49.80000112.1
20G45.7Very low49Very low73 Ų73113 Ų11375%0.75384%0.842SS**  trans126107.8148.200000115.1
21V57Low49.9Very low145 Ų145110.1 Ų110.188%0.87984%0.838SS**  trans-148.6116.1138.8-169.10000107
22G46.9Very low50.3Low74 Ų74111.3 Ų111.376%0.76384%0.837SS**  trans-89.3142.6159.800000108.8
23D55.1Low51.5Low159 Ų159113.2 Ų113.285%0.8584%0.838SS**  trans-148.7125.5156.6-167.361.5000108.9
24G46.6Very low52.2Low73 Ų73110.4 Ų110.475%0.75383%0.831SS**  trans-113.3135.8173.900000108.5
25G48.6Very low52.8Low75 Ų75118 Ų11877%0.77383%0.833SS**  trans-174.373.5-177.900000115.7
26G51.4Low53.7Low73 Ų73120.7 Ų120.775%0.75384%0.837SS**  trans76.6137.5138.800000120.7
27P59Low54.1Low130 Ų130121.5 Ų121.584%0.84484%0.835SS**  trans-105128.8154.333.4-22.4000110.8
28V58.3Low54.8Low155 Ų155121 Ų12194%0.93983%0.829SS**  trans-83.8117.3171.7-156.50000107.8
29R53.6Low55.7Low245 Ų245122.7 Ų122.793%0.92583%0.825SS**  trans-104.8106.1-178.7-150.1175.3-174.3-111.63108.9
30G55.2Low56.5Low65 Ų65122.6 Ų122.667%0.6782%0.819SS**PPolyproline II helixtrans-78.7152.4172.800000112.4
31P67.7Low56.8Low128 Ų128125.1 Ų125.183%0.83182%0.822SS**PPolyproline II helixtrans-93.8148.9173.535.3-30000111.9
32P60.3Low56.6Low128 Ų128129.9 Ų129.983%0.83182%0.824SS**PPolyproline II helixtrans-92.8152.6175.635.2-30.9000112.9
33S64.8Low56.4Low116 Ų116129.2 Ų129.281%0.81182%0.818SS**PPolyproline II helixtrans-74.3152.2177-42.60000113.1
34P60.1Low56.3Low127 Ų127131 Ų13183%0.82582%0.821SS**PPolyproline II helixtrans-93.6142.9175.734.7-29.4000112.7
35R56.9Low56.1Low247 Ų247130.7 Ų130.793%0.93282%0.818SS**  trans-112.5139.3160.8-75.7-179174.7-1310.7108.7
36P64.3Low56.3Low132 Ų132138.9 Ų138.986%0.85783%0.826SS**  trans-94.4140.116832.7-26.7000112
37A53.6Low56.3Low103 Ų103141 Ų14185%0.85183%0.826SS**  trans-84.2144173.100000111.3
38G56.5Low55.6Low76 Ų76139.4 Ų139.478%0.78482%0.824SS**  trans-108.9137.7164.200000110.3
39P62.7Low55Low119 Ų119136.6 Ų136.677%0.77382%0.817SS**  trans-101.1131.3176.434.3-27000113.5
40T61.1Low54.6Low131 Ų131129.2 Ų129.280%0.80481%0.808SS**  trans23.3145.1141.455.30000123.3
41P51.9Low54Low127 Ų127132.9 Ų132.983%0.82582%0.817SS**  trans-88.6155.3177.437.8-33.4000113.1
42R53.6Low53.1Low244 Ų244131 Ų13192%0.92181%0.813SS**  trans-115.1118.2169.2-106.1-175.9169.8-178.4-2.6110.1
43G43.2Very low52.2Low61 Ų61134 Ų13463%0.62982%0.816SS**  trans-91.5151.4164.900000111.7
44H52.7Low51.3Low195 Ų195134 Ų13490%0.90381%0.813SS**  trans-174.1124.3152.7-74.5-35.8000102.7
45G43.5Very low50.9Low68 Ų68135.5 Ų135.570%0.70181%0.813SS**  cis128.6125.733.200000105.5
46R52.3Low50.5Low247 Ų247131.6 Ų131.693%0.93281%0.805SS**  trans166.6148132.1-89.517477.2-166.63.1112.1
47P50.7Low49.8Very low118 Ų118131.6 Ų131.677%0.76681%0.805SS**  trans-102.8167-170.840.2-32.6000112.6
48A44.9Very low50Low96 Ų96129 Ų12979%0.79379%0.789SS**  159.6147.4122.600000113
49A45.1Very low49.9Very low95 Ų95132 Ų13279%0.78580%0.795SS**  trans88.8104.4147.500000120.2
50A44.4Very low49.4Very low90 Ų90129.2 Ų129.274%0.74479%0.787SS**  88.8118.8113.100000120.4
51V43.8Very low49.4Very low142 Ų142128.6 Ų128.686%0.86179%0.785SS**  trans85.1104.5136.8176.70000118
52A47.8Very low49.7Very low90 Ų90128.4 Ų128.474%0.74478%0.784SS**  155.9118.3113.900000110.7
53Q43.2Very low49.2Very low191 Ų191125.5 Ų125.589%0.89378%0.781SS**  trans-82150.9168.4-61.3-179.431.900110.1
54P45.2Very low49.3Very low116 Ų116134.3 Ų134.375%0.75380%0.795SS**  -140.8130.9124.216.16.1000115.6
55L51.7Low48.8Very low157 Ų157129.2 Ų129.282%0.82279%0.786SS**  trans34.1109.8146.7-80.586.4000121.7
56E48.4Very low48.3Very low166 Ų166129.6 Ų129.678%0.77679%0.79SS**  38.4136.1128.8-60.9-66.5113.900121.3
57P49.4Very low47.6Very low131 Ų131120.4 Ų120.485%0.85177%0.772SS**  -143.6125.986.232.8-14.3000116.2
58G57Low47.2Very low49 Ų49118.1 Ų118.151%0.50577%0.771SS.*  trans55.8132.4135.800000121.2G60G58-G60 PolarHBondContact O-N 3.45Å
59P54.4Low47.2Very low140 Ų140115.9 Ų115.991%0.90976%0.757SS**  trans-75.798.2174.332-29.9000109.8
60G53.6Low47.6Very low59 Ų59115.4 Ų115.461%0.60875%0.753SS**  trans-63.4154.4164.900000111.3G58G58-G60 PolarHBondContact O-N 3.45Å
61P61.6Low48.6Very low119 Ų119113.5 Ų113.577%0.77374%0.737SS**  trans-61.4158.1177.6-1.815.8000110.1E63P61-E63 PolarHBondContact O-N 2.82Å
62P56.8Low50.7Low122 Ų122112.5 Ų112.579%0.79272%0.718SS**  trans-56.2114.7-175.524.4-33.4000109.5R64P62-R64 VanDerWaalsContact C-N 3.32Å; P62-R64 PolarHBondContact O-N 2.66Å
63E43.3Very low52.7Low183 Ų183114.7 Ų114.786%0.85571%0.707SS**  trans-57.3100.9170.6-167.3165.7123.600106.7P61 A65P61-E63 PolarHBondContact O-N 2.82Å; E63-A65 PolarHBondContact O-N 2.87Å
64R45.1Very low55Low247 Ų247105.8 Ų105.893%0.93267%0.666SS**  trans-60.882.2168-96.4-180166.7175.5-3.1107P62 G66P62-R64 VanDerWaalsContact C-N 3.32Å; P62-R64 PolarHBondContact O-N 2.66Å; R64-G66 VanDerWaalsContact C-N 3.32Å; R64-G66 PolarHBondContact O-N 3.15Å
65A42.2Very low57.2Low87 Ų87104.9 Ų104.972%0.71965%0.647SS**  trans-65.293.8167.600000108.5E63 G67E63-A65 PolarHBondContact O-N 2.87Å; A65-G67 PolarHBondContact O-N 3Å
66G33.2Very low59.2Low76 Ų7697.4 Ų97.478%0.78461%0.608SS**  trans6218.913900000120.7R64 G68R64-G66 VanDerWaalsContact C-N 3.32Å; R64-G66 PolarHBondContact O-N 3.15Å; G66-G68 VanDerWaalsContact C-N 3.32Å; G66-G68 PolarHBondContact O-N 2.86Å
67G37.8Very low61.5Low54 Ų5490.4 Ų90.456%0.55758%0.576SS**THydrogen-bonded Turntrans-73.513.3-168.700000119.7A65 A71A65-G67 PolarHBondContact O-N 3Å; G67-A71 WeakPolarHBondContact O-CB 3.37Å
68G42Very low63.7Low71 Ų7184.2 Ų84.273%0.73254%0.536SS*.THydrogen-bonded Turntrans-78-29.3-170.100000116.3G66G66-G68 VanDerWaalsContact C-N 3.32Å; G66-G68 PolarHBondContact O-N 2.86Å
69G45.1Very low65.4Low48 Ų4884.1 Ų84.150%0.49554%0.535SS..THydrogen-bonded Turntrans-94.2-40.6-175.800000114.2A71 R72G69-A71 VanDerWaalsContact C-N 3.3Å; G69-A71 PolarHBondContact O-N 3.35Å; G69-R72 PolarHBondContact O-N 3.36Å
70A53Low67.3Low85 Ų8580.1 Ų80.170%0.70252%0.519SS*.THydrogen-bonded Turntrans-69.2-28.5-179.500000112.4R72A70-R72 PolarHBondContact O-N 3.36Å
71A66.3Low69.4Low51 Ų5180.3 Ų80.342%0.42151%0.508SS..THydrogen-bonded Turntrans-67.3-23174.400000112.7G67 G69 R87G67-A71 WeakPolarHBondContact O-CB 3.37Å; G69-A71 VanDerWaalsContact C-N 3.3Å; G69-A71 PolarHBondContact O-N 3.35Å; A71-R87 WeakPolarHBondContact O-CD 3.36Å; A71-R87 PolarHBondContact O-NE 2.87Å
72R87.2Confident71Confident121 Ų12180 Ų8046%0.45749%0.493SS..THydrogen-bonded Turntrans-78.6-42.2-176.8-166.9-174.9105.9108.5-2.5112.9G69 A70 T86 R87G69-R72 PolarHBondContact O-N 3.36Å; A70-R72 PolarHBondContact O-N 3.36Å; R72-T86 CarbonylContact O-C 3.52Å; R72-T86 VanDerWaalsContact O-CA 3.27Å; R72-T86 WeakPolarHBondContact O-CA 3.42Å; R72-R87 PolarHBondContact O-N 2.8Å
73W90.3Very high72.9Confident136 Ų13676 Ų7652%0.51546%0.463SS..EExtended strand (participates in β ladder)trans-87.4142.4-175.6-67.298.9000110.8V84 T85 T86W73-V84 HydrophobicContact CE3-CG1 3.97Å; W73-V84 HydrophobicContact CZ3-CG1 4.5Å; W73-T85 CarbonylContact C-O 3.58Å; W73-T85 WeakPolarHBondContact CA-O 3.45Å; W73-T86 HydrophobicContact CD2-CG2 4.12Å; W73-T86 HydrophobicContact CE3-CG2 3.77Å; W73-T86 HydrophobicContact CH2-CG2 4.15Å; W73-T86 HydrophobicContact CZ2-CG2 4.47Å; W73-T86 HydrophobicContact CZ3-CG2 3.79Å
74V90.7Very high75.4Confident4 Ų470.7 Ų70.72%0.02444%0.443CS..EExtended strand (participates in β ladder)trans-128.4135.2-179.1-179.80000108.2L76 T85 R87 L90 Y119V74-L76 HydrophobicContact CG1-CD2 3.91Å; V74-L76 HydrophobicContact CG1-CG 4.46Å; V74-T85 HydrophobicContact CB-CG2 4.39Å; V74-T85 PolarHBondContact N-O 3.14Å; V74-T85 PolarHBondContact O-N 2.75Å; V74-R87 HydrophobicContact CG2-CB 4.33Å; V74-R87 HydrophobicContact CG2-CG 3.28Å; V74-L90 HydrophobicContact CB-CD1 4.21Å; V74-L90 HydrophobicContact CG1-CD1 3.92Å; V74-L90 HydrophobicContact CG2-CD1 4.39Å; V74-Y119 HydrophobicContact CG1-CD2 3.62Å; V74-Y119 HydrophobicContact CG1-CE2 3.65Å
75R92.8Very high77.7Confident97 Ų9759 Ų5937%0.36640%0.399SS..EExtended strand (participates in β ladder)trans-105.6132.3173.4-62176.462.1-159.2-6.8108.3F83 V84 T116 A118 Y119R75-F83 WeakPolarHBondContact CA-O 3.44Å; R75-V84 HydrophobicContact CG-CG2 4.32Å; R75-T116 PolarHBondContact NH1-O 2.84Å; R75-T116 VanDerWaalsContact NH1-O 3.15Å; R75-T116 PolarHBondContact NH1-OG1 3.13Å; R75-T116 VanDerWaalsContact NH1-OG1 3.08Å; R75-T116 PolarHBondContact NH2-OG1 3.28Å; R75-A118 HydrophobicContact CB-CB 3.59Å; R75-A118 CarbonylContact O-C 3.43Å; R75-A118 VanDerWaalsContact O-CA 3.27Å; R75-A118 WeakPolarHBondContact O-CA 3.44Å; R75-Y119 PolarHBondContact O-N 2.88Å
76L94.2Very high80.1Confident0 Ų055.4 Ų55.40%037%0.368CS..EExtended strand (participates in β ladder)trans-118138.4174.9-53.8175.9000107.3V74 V78 Y82 F83 T85 L90 L98 L101 Y119 I121 F128V74-L76 HydrophobicContact CG1-CD2 3.91Å; V74-L76 HydrophobicContact CG1-CG 4.46Å; L76-V78 HydrophobicContact CB-CG2 4.28Å; L76-Y82 CarbonylContact O-C 3.52Å; L76-Y82 VanDerWaalsContact O-CA 3.32Å; L76-Y82 WeakPolarHBondContact O-CA 3.39Å; L76-F83 HydrophobicContact CB-CB 4.34Å; L76-F83 PolarHBondContact N-O 2.83Å; L76-F83 PolarHBondContact O-N 3.38Å; L76-T85 HydrophobicContact CD1-CG2 4.32Å; L76-L90 HydrophobicContact CD1-CD2 4.19Å; L76-L90 HydrophobicContact CD2-CD1 4.39Å; L76-L98 HydrophobicContact CD1-CD2 4.43Å; L76-L101 HydrophobicContact CD2-CD1 4.15Å; L76-Y119 CarbonylContact C-O 3.58Å; L76-Y119 WeakPolarHBondContact CA-O 3.49Å; L76-Y119 HydrophobicContact CD2-CD2 4.09Å; L76-Y119 HydrophobicContact CD2-CG 4.37Å; L76-I121 HydrophobicContact CD2-CD1 4.38Å; L76-F128 HydrophobicContact CD1-CE1 4.02Å; L76-F128 HydrophobicContact CD1-CZ 3.7Å
77N94.9Very high82.8Confident19 Ų1954.9 Ų54.910%0.10234%0.342CS..EExtended strand (participates in β ladder)trans-115.598.5172.6-177.3-10.4000107.3G80 Y82 A118 Y119 L120 I121N77-G80 VanDerWaalsContact OD1-C 3.29Å; N77-G80 WeakPolarHBondContact OD1-CA 3.44Å; N77-G80 PolarHBondContact OD1-N 3.23Å; N77-G80 VanDerWaalsContact OD1-N 3.13Å; N77-Y82 HydrophobicContact CB-CD1 4.18Å; N77-Y82 HydrophobicContact CB-CE1 4.04Å; N77-Y82 PolarHBondContact ND2-OH 3.04Å; N77-A118 HydrophobicContact CB-CB 4.23Å; N77-Y119 PolarHBondContact N-O 2.71Å; N77-L120 HydrophobicContact CB-CD2 3.7Å; N77-I121 PolarHBondContact O-N 2.93Å
78V95.7Very high85.4Confident0 Ų059.3 Ų59.30%035%0.348CS..EExtended strand (participates in β ladder)trans-100.1108.4-175.6-173.70000107.9L76 G80 T81 F83 I121 R123 P125 F128L76-V78 HydrophobicContact CB-CG2 4.28Å; V78-G80 PolarHBondContact O-N 2.84Å; V78-T81 PolarHBondContact N-O 2.85Å; V78-T81 PolarHBondContact O-N 2.76Å; V78-F83 HydrophobicContact CB-CD2 4.06Å; V78-F83 HydrophobicContact CB-CE2 3.97Å; V78-F83 HydrophobicContact CG2-CD2 3.8Å; V78-F83 HydrophobicContact CG2-CE2 4.15Å; V78-I121 CarbonylContact C-O 3.53Å; V78-I121 WeakPolarHBondContact CA-O 3.14Å; V78-I121 HydrophobicContact CG1-CG2 4.35Å; V78-I121 HydrophobicContact CG2-CB 4.23Å; V78-I121 HydrophobicContact CG2-CD1 4.15Å; V78-R123 HydrophobicContact CG1-CB 4.2Å; V78-P125 HydrophobicContact CB-CB 4.43Å; V78-P125 HydrophobicContact CG1-CB 4.41Å; V78-P125 WeakPolarHBondContact O-CB 3.48Å; V78-F128 HydrophobicContact CG1-CB 4.23Å; V78-F128 HydrophobicContact CG1-CG 4.28Å; V78-F128 HydrophobicContact CG2-CD1 3.85Å; V78-F128 HydrophobicContact CG2-CD2 4.41Å; V78-F128 HydrophobicContact CG2-CE1 3.91Å; V78-F128 HydrophobicContact CG2-CE2 4.48Å; V78-F128 HydrophobicContact CG2-CG 4.1Å; V78-F128 HydrophobicContact CG2-CZ 4.24Å
79G94.1Very high87.9Confident47 Ų4756.9 Ų56.949%0.48532%0.319SS..THydrogen-bonded Turntrans53.431.4179.300000114.2I121 R123G79-I121 PolarHBondContact N-O 3.32Å; G79-R123 VanDerWaalsContact CA-O 3.25Å; G79-R123 WeakPolarHBondContact CA-O 3.45Å; G79-R123 PolarHBondContact N-O 3.25Å
80G94.1Very high90.1Very high56 Ų5654.6 Ų54.658%0.57730%0.296SS*.THydrogen-bonded Turntrans94.1-4.4-177.200000115.6N77 V78N77-G80 VanDerWaalsContact OD1-C 3.29Å; N77-G80 WeakPolarHBondContact OD1-CA 3.44Å; N77-G80 PolarHBondContact OD1-N 3.23Å; N77-G80 VanDerWaalsContact OD1-N 3.13Å; V78-G80 PolarHBondContact O-N 2.84Å
81T97Very high91.9Very high63 Ų6352.1 Ų52.139%0.38728%0.278SS..EExtended strand (participates in β ladder)trans-103.5127.8176.4-57.80000111.3V78 F83 P125V78-T81 PolarHBondContact N-O 2.85Å; V78-T81 PolarHBondContact O-N 2.76Å; T81-F83 HydrophobicContact CG2-CD2 4.34Å; T81-F83 HydrophobicContact CG2-CE2 3.67Å; T81-F83 HydrophobicContact CG2-CZ 3.97Å; T81-F83 WeakPolarHBondContact O-CD2 3.4Å; T81-P125 VanDerWaalsContact CB-CB 3.5Å; T81-P125 HydrophobicContact CG2-CB 4.21Å; T81-P125 WeakPolarHBondContact OG1-CB 3.38Å; T81-P125 WeakPolarHBondContact OG1-CG 3.36Å
82Y96.2Very high93Very high113 Ų11356 Ų5644%0.44328%0.282SS..EExtended strand (participates in β ladder)trans-84126.3-179.5-68.9-90.7000112.3L76 N77 D114 A118L76-Y82 CarbonylContact O-C 3.52Å; L76-Y82 VanDerWaalsContact O-CA 3.32Å; L76-Y82 WeakPolarHBondContact O-CA 3.39Å; N77-Y82 HydrophobicContact CB-CD1 4.18Å; N77-Y82 HydrophobicContact CB-CE1 4.04Å; N77-Y82 PolarHBondContact ND2-OH 3.04Å; Y82-D114 VanDerWaalsContact CE1-OD2 3.28Å; Y82-D114 WeakPolarHBondContact CE1-OD2 3.36Å; Y82-D114 PolarHBondContact OH-OD2 3.36Å; Y82-A118 HydrophobicContact CD1-CB 4.17Å; Y82-A118 HydrophobicContact CE1-CB 3.99Å
83F96.2Very high93.1Very high39 Ų3952.3 Ų52.317%0.17127%0.27CS..EExtended strand (participates in β ladder)trans-115137.7170.2-65-93.5000110R75 L76 V78 T81 P125 F128 L132R75-F83 WeakPolarHBondContact CA-O 3.44Å; L76-F83 HydrophobicContact CB-CB 4.34Å; L76-F83 PolarHBondContact N-O 2.83Å; L76-F83 PolarHBondContact O-N 3.38Å; V78-F83 HydrophobicContact CB-CD2 4.06Å; V78-F83 HydrophobicContact CB-CE2 3.97Å; V78-F83 HydrophobicContact CG2-CD2 3.8Å; V78-F83 HydrophobicContact CG2-CE2 4.15Å; T81-F83 HydrophobicContact CG2-CD2 4.34Å; T81-F83 HydrophobicContact CG2-CE2 3.67Å; T81-F83 HydrophobicContact CG2-CZ 3.97Å; T81-F83 WeakPolarHBondContact O-CD2 3.4Å; F83-P125 HydrophobicContact CE2-CB 3.92Å; F83-P125 HydrophobicContact CZ-CB 4.22Å; F83-F128 HydrophobicContact CB-CD1 4.47Å; F83-F128 HydrophobicContact CB-CE1 4.08Å; F83-F128 AromaticContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CE1 4.21Å; F83-F128 AromaticContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CE1 4.03Å; F83-F128 AromaticContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE2-CB 4.47Å; F83-F128 AromaticContact CE2-CD1 3.75Å; F83-F128 HydrophobicContact CE2-CD1 3.75Å; F83-F128 AromaticContact CG-CD1 3.74Å; F83-F128 HydrophobicContact CG-CD1 3.74Å; F83-F128 AromaticContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CZ-CB 4.33Å; F83-F128 AromaticContact CZ-CD1 3.88Å; F83-F128 HydrophobicContact CZ-CD1 3.88Å; F83-L132 HydrophobicContact CB-CD2 4.16Å; F83-L132 HydrophobicContact CD1-CD2 3.94Å; F83-L132 HydrophobicContact CG-CD2 4.42Å
84V94.8Very high92.9Very high70 Ų7050.4 Ų50.442%0.42428%0.275SS..EExtended strand (participates in β ladder)trans-116.2130.1177.5-173.20000109.4W73 R75 R136W73-V84 HydrophobicContact CE3-CG1 3.97Å; W73-V84 HydrophobicContact CZ3-CG1 4.5Å; R75-V84 HydrophobicContact CG-CG2 4.32Å; V84-R136 PolarHBondContact O-NH2 3.48Å
85T94.5Very high92.7Very high3 Ų357.8 Ų57.82%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-150.8-174.6-177.7-166.50000110.8W73 V74 L76 T89 L90 L132W73-T85 CarbonylContact C-O 3.58Å; W73-T85 WeakPolarHBondContact CA-O 3.45Å; V74-T85 HydrophobicContact CB-CG2 4.39Å; V74-T85 PolarHBondContact N-O 3.14Å; V74-T85 PolarHBondContact O-N 2.75Å; L76-T85 HydrophobicContact CD1-CG2 4.32Å; T85-T89 WeakPolarHBondContact OG1-CB 3.47Å; T85-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T85-L90 HydrophobicContact CG2-CD1 4.01Å; T85-L90 HydrophobicContact CG2-CD2 3.79Å; T85-L90 HydrophobicContact CG2-CG 3.85Å; T85-L132 HydrophobicContact CG2-CD1 4.24Å
86T92.7Very high92.5Very high10 Ų1053.1 Ų53.16%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-111153.5177.269.30000111R72 W73 Q88 T89 L90R72-T86 CarbonylContact O-C 3.52Å; R72-T86 VanDerWaalsContact O-CA 3.27Å; R72-T86 WeakPolarHBondContact O-CA 3.42Å; W73-T86 HydrophobicContact CD2-CG2 4.12Å; W73-T86 HydrophobicContact CE3-CG2 3.77Å; W73-T86 HydrophobicContact CH2-CG2 4.15Å; W73-T86 HydrophobicContact CZ2-CG2 4.47Å; W73-T86 HydrophobicContact CZ3-CG2 3.79Å; T86-Q88 PolarHBondContact O-N 2.82Å; T86-T89 WeakPolarHBondContact O-CB 3.29Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact OG1-N 3.02Å; T86-T89 PolarHBondContact OG1-OG1 3.21Å; T86-L90 PolarHBondContact O-N 3.4Å
87R90.4Very high92.2Very high65 Ų6555.2 Ų55.225%0.24530%0.298CS..Hα-helixtrans-55.2-38.1173.2-68.8-173.3-163.4-116.71.6112.1A71 R72 V74 T89 L90 G91 C102A71-R87 WeakPolarHBondContact O-CD 3.36Å; A71-R87 PolarHBondContact O-NE 2.87Å; R72-R87 PolarHBondContact O-N 2.8Å; V74-R87 HydrophobicContact CG2-CB 4.33Å; V74-R87 HydrophobicContact CG2-CG 3.28Å; R87-T89 VanDerWaalsContact C-N 3.27Å; R87-T89 PolarHBondContact O-N 3.38Å; R87-L90 PolarHBondContact O-N 2.95Å; R87-G91 PolarHBondContact O-N 2.87Å; R87-C102 HydrophobicContact CB-CB 4.27Å; R87-C102 HydrophobicContact CG-CB 4.38Å
88Q91Very high91.9Very high148 Ų14854.3 Ų54.369%0.69229%0.294SS*.Hα-helixtrans-58.8-37.7176.7-173.3-177.58.800112.7T86T86-Q88 PolarHBondContact O-N 2.82Å
89T93.8Very high91.5Very high19 Ų1954.9 Ų54.912%0.11730%0.297CS..Hα-helixtrans-67.3-43.6177.2-55.20000111.3T85 T86 R87 G91 R92 L132 L135 R136T85-T89 WeakPolarHBondContact OG1-CB 3.47Å; T85-T89 WeakPolarHBondContact OG1-CG2 3.26Å; T86-T89 WeakPolarHBondContact O-CB 3.29Å; T86-T89 PolarHBondContact O-N 3.29Å; T86-T89 PolarHBondContact OG1-N 3.02Å; T86-T89 PolarHBondContact OG1-OG1 3.21Å; R87-T89 VanDerWaalsContact C-N 3.27Å; R87-T89 PolarHBondContact O-N 3.38Å; T89-G91 VanDerWaalsContact C-N 3.32Å; T89-R92 PolarHBondContact O-N 3.17Å; T89-L132 HydrophobicContact CG2-CD1 4.36Å; T89-L135 HydrophobicContact CG2-CB 3.79Å; T89-R136 HydrophobicContact CG2-CB 4.48Å; T89-R136 HydrophobicContact CG2-CG 3.67Å
90L92.2Very high90.9Very high0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-70.2-30.3-179.7-58.8180000112.4V74 L76 T85 T86 R87 R92 L98 C99 C102V74-L90 HydrophobicContact CB-CD1 4.21Å; V74-L90 HydrophobicContact CG1-CD1 3.92Å; V74-L90 HydrophobicContact CG2-CD1 4.39Å; L76-L90 HydrophobicContact CD1-CD2 4.19Å; L76-L90 HydrophobicContact CD2-CD1 4.39Å; T85-L90 HydrophobicContact CG2-CD1 4.01Å; T85-L90 HydrophobicContact CG2-CD2 3.79Å; T85-L90 HydrophobicContact CG2-CG 3.85Å; T86-L90 PolarHBondContact O-N 3.4Å; R87-L90 PolarHBondContact O-N 2.95Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.99Å; L90-L98 HydrophobicContact CB-CB 4.41Å; L90-L98 HydrophobicContact CD2-CB 4.04Å; L90-L98 HydrophobicContact CD2-CD1 4.2Å; L90-L98 HydrophobicContact CD2-CD2 4.41Å; L90-L98 HydrophobicContact CD2-CG 4.45Å; L90-C99 WeakPolarHBondContact O-CA 3.13Å; L90-C99 PolarHBondContact O-N 3.27Å; L90-C102 HydrophobicContact CB-CB 4.01Å
91G90.1Very high90.3Very high33 Ų3356 Ų5634%0.3427%0.27SS..THydrogen-bonded Turntrans-79.17.3176.800000115.6R87 T89R87-G91 PolarHBondContact O-N 2.87Å; T89-G91 VanDerWaalsContact C-N 3.32Å
92R90.9Very high89.2Confident134 Ų13453.9 Ų53.951%0.50626%0.258SS..THydrogen-bonded Turntrans-67.4-34.8178.7-82.3-146.4-175167.92.9113.8T89 L90 L135 R136T89-R92 PolarHBondContact O-N 3.17Å; L90-R92 VanDerWaalsContact C-N 3.25Å; L90-R92 PolarHBondContact O-N 2.99Å; R92-L135 HydrophobicContact CB-CD2 4.22Å; R92-L135 WeakPolarHBondContact CD-O 3.25Å; R92-L135 PolarHBondContact NE-O 3.38Å; R92-L135 PolarHBondContact NH1-O 3.02Å; R92-R136 VanDerWaalsContact CZ-O 3.3Å; R92-R136 PolarHBondContact NH1-O 3.4Å; R92-R136 PolarHBondContact NH2-O 3.49Å
93E89.2Confident87.9Confident42 Ų4251.5 Ų51.520%0.19626%0.257CS..SBendtrans-116.699.3-179.6-174.965.3-107.800108.2K95 S96 C99 L135 I160 S162E93-K95 PolarHBondContact O-N 2.73Å; E93-K95 VanDerWaalsContact O-N 3.14Å; E93-S96 VanDerWaalsContact O-CB 3.28Å; E93-S96 WeakPolarHBondContact O-CB 3.26Å; E93-S96 PolarHBondContact O-N 2.81Å; E93-S96 PolarHBondContact O-OG 3.24Å; E93-C99 VanDerWaalsContact O-CB 3.26Å; E93-C99 WeakPolarHBondContact O-CB 3.42Å; E93-L135 HydrophobicContact CB-CD2 4.4Å; E93-I160 HydrophobicContact CG-CG1 4.46Å; E93-I160 HydrophobicContact CG-CG2 4.18Å; E93-S162 PolarHBondContact OE2-OG 3.47Å
94P85.8Confident86.3Confident96 Ų9655.8 Ų55.862%0.62328%0.277SS*.THydrogen-bonded Turntrans-64.7-22.4-170.224.8-34.2000113.4S96P94-S96 VanDerWaalsContact C-N 3.34Å
95K85.8Confident84.2Confident159 Ų15960.6 Ų60.669%0.69130%0.295SS*.THydrogen-bonded Turntrans-85.1-8.5177.2-63.5-177.4179.7178.40113.5E93 N159E93-K95 PolarHBondContact O-N 2.73Å; E93-K95 VanDerWaalsContact O-N 3.14Å; K95-N159 PolarHBondContact O-ND2 3.44Å
96S88.2Confident82.2Confident0 Ų063.6 Ų63.60%031%0.311CS..SBendtrans-74.4149.4-175.970.30000111.9E93 P94 L98 C99 Y158E93-S96 VanDerWaalsContact O-CB 3.28Å; E93-S96 WeakPolarHBondContact O-CB 3.26Å; E93-S96 PolarHBondContact O-N 2.81Å; E93-S96 PolarHBondContact O-OG 3.24Å; P94-S96 VanDerWaalsContact C-N 3.34Å; S96-L98 PolarHBondContact O-N 2.88Å; S96-C99 PolarHBondContact O-N 2.81Å; S96-C99 PolarHBondContact OG-N 2.86Å; S96-C99 VanDerWaalsContact OG-N 3.11Å; S96-Y158 CarbonylContact C-O 3.57Å; S96-Y158 WeakPolarHBondContact CA-O 3.41Å; S96-Y158 VanDerWaalsContact CB-O 3.23Å; S96-Y158 WeakPolarHBondContact CB-O 3.27Å
97F88.1Confident80.3Confident43 Ų4368.8 Ų68.819%0.18935%0.345CS..Hα-helixtrans-53.8-38.9169.7173-98.5000111.4C99 R100 L101 I121 Y158F97-C99 VanDerWaalsContact C-N 3.34Å; F97-C99 PolarHBondContact O-N 2.75Å; F97-R100 WeakPolarHBondContact O-CB 3.34Å; F97-R100 PolarHBondContact O-N 3.27Å; F97-R100 VanDerWaalsContact O-N 3.13Å; F97-L101 HydrophobicContact CD1-CD1 4.33Å; F97-L101 HydrophobicContact CE1-CD1 3.89Å; F97-L101 HydrophobicContact CE1-CD2 4.31Å; F97-L101 HydrophobicContact CE1-CG 4.18Å; F97-L101 HydrophobicContact CZ-CD2 4.25Å; F97-L101 PolarHBondContact O-N 3.45Å; F97-I121 HydrophobicContact CE1-CD1 4.43Å; F97-I121 HydrophobicContact CE1-CG1 4.47Å; F97-Y158 HydrophobicContact CD1-CD1 4.13Å; F97-Y158 HydrophobicContact CD1-CE1 4.44Å; F97-Y158 PolarHBondContact N-O 3.39Å
98L89.4Confident78.4Confident0 Ų074 Ų740%037%0.372CS..Hα-helixtrans-65.3-33.1-179.3-66.4177.7000113.4L76 L90 S96 R100 L101 C102 I121 F128 L135 Y158L76-L98 HydrophobicContact CD1-CD2 4.43Å; L90-L98 HydrophobicContact CB-CB 4.41Å; L90-L98 HydrophobicContact CD2-CB 4.04Å; L90-L98 HydrophobicContact CD2-CD1 4.2Å; L90-L98 HydrophobicContact CD2-CD2 4.41Å; L90-L98 HydrophobicContact CD2-CG 4.45Å; S96-L98 PolarHBondContact O-N 2.88Å; L98-R100 VanDerWaalsContact C-N 3.32Å; L98-L101 HydrophobicContact CD2-CD1 3.96Å; L98-L101 WeakPolarHBondContact O-CB 3.41Å; L98-L101 PolarHBondContact O-N 3.22Å; L98-C102 PolarHBondContact O-N 3.41Å; L98-I121 HydrophobicContact CD2-CD1 4.14Å; L98-F128 HydrophobicContact CD1-CE2 4.17Å; L98-F128 HydrophobicContact CD1-CZ 4.39Å; L98-F128 HydrophobicContact CD2-CE2 4.43Å; L98-F128 HydrophobicContact CD2-CZ 4.49Å; L98-L135 HydrophobicContact CD1-CD1 3.56Å; L98-Y158 HydrophobicContact CD1-CD1 4.18Å; L98-Y158 HydrophobicContact CD1-CG 4.31Å; L98-Y158 HydrophobicContact CD2-CD1 4.01Å; L98-Y158 HydrophobicContact CD2-CE1 4.18Å; L98-Y158 HydrophobicContact CG-CD1 3.85Å; L98-Y158 HydrophobicContact CG-CE1 4.49Å; L98-Y158 HydrophobicContact CG-CG 4.37Å
99C86.1Confident76.6Confident12 Ų1269.1 Ų69.18%0.08135%0.351CS..Hα-helixtrans-65.7-37.9174-172.60000111.1L90 E93 S96 F97 L101 C102 C103L90-C99 WeakPolarHBondContact O-CA 3.13Å; L90-C99 PolarHBondContact O-N 3.27Å; E93-C99 VanDerWaalsContact O-CB 3.26Å; E93-C99 WeakPolarHBondContact O-CB 3.42Å; S96-C99 PolarHBondContact O-N 2.81Å; S96-C99 PolarHBondContact OG-N 2.86Å; S96-C99 VanDerWaalsContact OG-N 3.11Å; F97-C99 VanDerWaalsContact C-N 3.34Å; F97-C99 PolarHBondContact O-N 2.75Å; C99-L101 VanDerWaalsContact C-N 3.29Å; C99-L101 PolarHBondContact O-N 3.03Å; C99-C102 PolarHBondContact O-N 2.78Å; C99-C102 PolarHBondContact O-SG 3.02Å; C99-C103 PolarHBondContact O-N 2.54Å; C99-C103 VanDerWaalsContact O-N 3.09Å; C99-C103 PolarHBondContact O-SG 3.38Å; C99-C103 VanDerWaalsContact O-SG 3.37Å
100R83.5Confident74.8Confident121 Ų12175.3 Ų75.346%0.45738%0.383SS..Hα-helixtrans-61.6-38.3177.5-62.3-170.6-79.5164.9-8.2112.1F97 L98 C102 C103 L109F97-R100 WeakPolarHBondContact O-CB 3.34Å; F97-R100 PolarHBondContact O-N 3.27Å; F97-R100 VanDerWaalsContact O-N 3.13Å; L98-R100 VanDerWaalsContact C-N 3.32Å; R100-C102 PolarHBondContact O-N 2.76Å; R100-C103 PolarHBondContact O-N 3.18Å; R100-L109 HydrophobicContact CB-CD1 3.47Å; R100-L109 VanDerWaalsContact CB-CD1 3.47Å; R100-L109 HydrophobicContact CG-CD1 4.41Å
101L80.3Confident73.4Confident6 Ų676.8 Ų76.83%0.03139%0.393CS..Hα-helixtrans-59-36173-61.8176000112.5L76 F97 L98 C99 S111 Y119 I121L76-L101 HydrophobicContact CD2-CD1 4.15Å; F97-L101 HydrophobicContact CD1-CD1 4.33Å; F97-L101 HydrophobicContact CE1-CD1 3.89Å; F97-L101 HydrophobicContact CE1-CD2 4.31Å; F97-L101 HydrophobicContact CE1-CG 4.18Å; F97-L101 HydrophobicContact CZ-CD2 4.25Å; F97-L101 PolarHBondContact O-N 3.45Å; L98-L101 HydrophobicContact CD2-CD1 3.96Å; L98-L101 WeakPolarHBondContact O-CB 3.41Å; L98-L101 PolarHBondContact O-N 3.22Å; C99-L101 VanDerWaalsContact C-N 3.29Å; C99-L101 PolarHBondContact O-N 3.03Å; L101-S111 WeakPolarHBondContact CD2-OG 3.3Å; L101-Y119 HydrophobicContact CB-CD1 4.49Å; L101-Y119 HydrophobicContact CB-CE1 4.39Å; L101-Y119 HydrophobicContact CD2-CD1 3.79Å; L101-Y119 HydrophobicContact CD2-CE1 4.18Å; L101-Y119 HydrophobicContact CD2-CG 4.34Å; L101-Y119 PolarHBondContact O-OH 3.11Å; L101-Y119 VanDerWaalsContact O-OH 3.05Å; L101-I121 HydrophobicContact CD1-CD1 4.16Å
102C74.8Confident73Confident19 Ų1980.7 Ų80.713%0.12841%0.406CS..Hα-helixtrans-80.1-31.1-175.591.50000113.2R87 L90 L98 C99 R100R87-C102 HydrophobicContact CB-CB 4.27Å; R87-C102 HydrophobicContact CG-CB 4.38Å; L90-C102 HydrophobicContact CB-CB 4.01Å; L98-C102 PolarHBondContact O-N 3.41Å; C99-C102 PolarHBondContact O-N 2.78Å; C99-C102 PolarHBondContact O-SG 3.02Å; R100-C102 PolarHBondContact O-N 2.76Å
103C67.5Low72.8Confident63 Ų6379.2 Ų79.243%0.42640%0.404SS..Hα-helixtrans-76.8-21.3-174.2-69.80000114C99 R100 E105C99-C103 PolarHBondContact O-N 2.54Å; C99-C103 VanDerWaalsContact O-N 3.09Å; C99-C103 PolarHBondContact O-SG 3.38Å; C99-C103 VanDerWaalsContact O-SG 3.37Å; R100-C103 PolarHBondContact O-N 3.18Å; C103-E105 WeakPolarHBondContact O-CG 3.42Å; C103-E105 PolarHBondContact O-N 3.37Å
104Q62.6Low72.8Confident128 Ų12878.7 Ų78.760%0.59840%0.402SS*.  trans51.22-179.7-73.8-168.5-95.600116.6D106Q104-D106 VanDerWaalsContact C-N 3.32Å
105E51.9Low73Confident171 Ų17183.9 Ų83.980%0.79942%0.418SS*.  trans-84.7-5.4-175.4-79.8175.9164.200113.3C103 P107C103-E105 WeakPolarHBondContact O-CG 3.42Å; C103-E105 PolarHBondContact O-N 3.37Å; E105-P107 WeakPolarHBondContact O-CD 3.31Å
106D52.9Low73.1Confident67 Ų6779.4 Ų79.436%0.35840%0.404SS..  trans-105.295.8178.6-150.4-21.5000110.6Q104 E108 L109Q104-D106 VanDerWaalsContact C-N 3.32Å; D106-E108 PolarHBondContact O-N 3.47Å; D106-E108 VanDerWaalsContact O-N 3.15Å; D106-E108 WeakPolarHBondContact OD1-CB 3.4Å; D106-E108 PolarHBondContact OD1-N 3.43Å; D106-L109 HydrophobicContact CB-CD1 4.3Å; D106-L109 HydrophobicContact CB-CG 4.39Å; D106-L109 PolarHBondContact O-N 3.23Å; D106-L109 VanDerWaalsContact O-N 3.08Å
107P51.6Low73Confident118 Ų11881.4 Ų81.477%0.76642%0.424SS*.THydrogen-bonded Turntrans-64.1-7.517424.5-31.5000113.4E105 L109E105-P107 WeakPolarHBondContact O-CD 3.31Å; P107-L109 VanDerWaalsContact C-N 3.33Å
108E51Low73.1Confident174 Ų17479.3 Ų79.381%0.81342%0.415SS*.THydrogen-bonded Turntrans-79.9-15.4171.1-64.5-170.6159.100113.2D106 D110D106-E108 PolarHBondContact O-N 3.47Å; D106-E108 VanDerWaalsContact O-N 3.15Å; D106-E108 WeakPolarHBondContact OD1-CB 3.4Å; D106-E108 PolarHBondContact OD1-N 3.43Å; E108-D110 PolarHBondContact O-N 3.43Å
109L52.6Low73.2Confident47 Ų4779.8 Ų79.825%0.24642%0.417CS..  trans-91.278.4169.7-66.7174.8000108.6R100 D106 P107 S111R100-L109 HydrophobicContact CB-CD1 3.47Å; R100-L109 VanDerWaalsContact CB-CD1 3.47Å; R100-L109 HydrophobicContact CG-CD1 4.41Å; D106-L109 HydrophobicContact CB-CD1 4.3Å; D106-L109 HydrophobicContact CB-CG 4.39Å; D106-L109 PolarHBondContact O-N 3.23Å; D106-L109 VanDerWaalsContact O-N 3.08Å; P107-L109 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.18Å; L109-S111 PolarHBondContact O-OG 3.41Å
110D55.4Low73.5Confident148 Ų14882.9 Ų82.979%0.79143%0.433SS*.  trans-60.168.2150.8-89-21.8000107.5E108 D112E108-D110 PolarHBondContact O-N 3.43Å; D110-D112 PolarHBondContact O-N 2.75Å
111S64.7Low73.9Confident31 Ų3177.6 Ų77.622%0.21741%0.413CS..  trans-68.2107.5178.3-53.60000104.9L101 L109 K113L101-S111 WeakPolarHBondContact CD2-OG 3.3Å; L109-S111 PolarHBondContact O-N 3.18Å; L109-S111 PolarHBondContact O-OG 3.41Å; S111-K113 PolarHBondContact O-N 3.33Å; S111-K113 VanDerWaalsContact O-N 3.09Å
112D80.5Confident74.6Confident115 Ų11584.9 Ų84.962%0.61545%0.452SS*.  trans-51.6122.4-179.7-68.4-47.8000108.2D110 L120D110-D112 PolarHBondContact O-N 2.75Å; D112-L120 HydrophobicContact CB-CB 4Å; D112-L120 HydrophobicContact CB-CD1 3.86Å; D112-L120 HydrophobicContact CB-CG 4.16Å; D112-L120 WeakPolarHBondContact O-CB 3.29Å; D112-L120 WeakPolarHBondContact O-CG 3.48Å; D112-L120 PolarHBondContact O-N 3.37Å
113K87.5Confident75.6Confident104 Ų10487.6 Ų87.645%0.45246%0.46SS..BIsolated β-bridgetrans-112.3137.1175-75.9170.8-176170.80108.1S111 A118 Y119S111-K113 PolarHBondContact O-N 3.33Å; S111-K113 VanDerWaalsContact O-N 3.09Å; K113-A118 VanDerWaalsContact CA-O 3.26Å; K113-A118 WeakPolarHBondContact CA-O 3.15Å; K113-Y119 HydrophobicContact CD-CE1 4.46Å; K113-Y119 VanDerWaalsContact CE-CZ 3.41Å; K113-Y119 HydrophobicContact CG-CD1 4.18Å
114D88.4Confident76.8Confident30 Ų3087.9 Ų87.916%0.1646%0.457CS..  trans-71.2173.4168.462.130.1000111.8Y82 T116 G117 A118 L120Y82-D114 VanDerWaalsContact CE1-OD2 3.28Å; Y82-D114 WeakPolarHBondContact CE1-OD2 3.36Å; Y82-D114 PolarHBondContact OH-OD2 3.36Å; D114-T116 PolarHBondContact O-N 3.37Å; D114-T116 VanDerWaalsContact OD1-C 3.32Å; D114-T116 VanDerWaalsContact OD1-CA 3.24Å; D114-T116 WeakPolarHBondContact OD1-CA 3.38Å; D114-T116 VanDerWaalsContact OD1-CB 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.23Å; D114-T116 PolarHBondContact OD1-N 2.78Å; D114-T116 PolarHBondContact OD1-OG1 3.3Å; D114-T116 PolarHBondContact OD2-OG1 2.92Å; D114-G117 PolarHBondContact O-N 2.89Å; D114-G117 PolarHBondContact OD1-N 2.92Å; D114-A118 PolarHBondContact N-O 2.65Å; D114-A118 PolarHBondContact OD1-N 2.85Å; D114-A118 WeakPolarHBondContact OD2-CB 3.35Å; D114-L120 HydrophobicContact CB-CD2 3.96Å
115E89.4Confident78.4Confident205 Ų20583.1 Ų83.196%0.95844%0.437SS*.THydrogen-bonded Turntrans-54.2-20.9175.3-58177.4174.900113.1
116T88.3Confident80.6Confident66 Ų6679 Ų7941%0.40542%0.424SS..THydrogen-bonded Turntrans-93.6-2-178.586.70000113.4R75 D114R75-T116 PolarHBondContact NH1-O 2.84Å; R75-T116 VanDerWaalsContact NH1-O 3.15Å; R75-T116 PolarHBondContact NH1-OG1 3.13Å; R75-T116 VanDerWaalsContact NH1-OG1 3.08Å; R75-T116 PolarHBondContact NH2-OG1 3.28Å; D114-T116 PolarHBondContact O-N 3.37Å; D114-T116 VanDerWaalsContact OD1-C 3.32Å; D114-T116 VanDerWaalsContact OD1-CA 3.24Å; D114-T116 WeakPolarHBondContact OD1-CA 3.38Å; D114-T116 VanDerWaalsContact OD1-CB 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.23Å; D114-T116 PolarHBondContact OD1-N 2.78Å; D114-T116 PolarHBondContact OD1-OG1 3.3Å; D114-T116 PolarHBondContact OD2-OG1 2.92Å
117G86.3Confident82.6Confident41 Ų4178.5 Ų78.542%0.42342%0.418SS..  trans8013.6-178.500000114.5D114D114-G117 PolarHBondContact O-N 2.89Å; D114-G117 PolarHBondContact OD1-N 2.92Å
118A90.3Very high84.8Confident0 Ų072.9 Ų72.90%038%0.381CS..PPolyproline II helixtrans-82.6137175.700000110.7R75 N77 Y82 K113 D114 L120R75-A118 HydrophobicContact CB-CB 3.59Å; R75-A118 CarbonylContact O-C 3.43Å; R75-A118 VanDerWaalsContact O-CA 3.27Å; R75-A118 WeakPolarHBondContact O-CA 3.44Å; N77-A118 HydrophobicContact CB-CB 4.23Å; Y82-A118 HydrophobicContact CD1-CB 4.17Å; Y82-A118 HydrophobicContact CE1-CB 3.99Å; K113-A118 VanDerWaalsContact CA-O 3.26Å; K113-A118 WeakPolarHBondContact CA-O 3.15Å; D114-A118 PolarHBondContact N-O 2.65Å; D114-A118 PolarHBondContact OD1-N 2.85Å; D114-A118 WeakPolarHBondContact OD2-CB 3.35Å; A118-L120 PolarHBondContact O-N 3.26Å
119Y91.3Very high86.9Confident9 Ų965.6 Ų65.64%0.03535%0.352CS..EExtended strand (participates in β ladder)trans-70.6123.6176-65.4-87.9000110.2V74 R75 L76 N77 L101 K113V74-Y119 HydrophobicContact CG1-CD2 3.62Å; V74-Y119 HydrophobicContact CG1-CE2 3.65Å; R75-Y119 PolarHBondContact O-N 2.88Å; L76-Y119 CarbonylContact C-O 3.58Å; L76-Y119 WeakPolarHBondContact CA-O 3.49Å; L76-Y119 HydrophobicContact CD2-CD2 4.09Å; L76-Y119 HydrophobicContact CD2-CG 4.37Å; N77-Y119 PolarHBondContact N-O 2.71Å; L101-Y119 HydrophobicContact CB-CD1 4.49Å; L101-Y119 HydrophobicContact CB-CE1 4.39Å; L101-Y119 HydrophobicContact CD2-CD1 3.79Å; L101-Y119 HydrophobicContact CD2-CE1 4.18Å; L101-Y119 HydrophobicContact CD2-CG 4.34Å; L101-Y119 PolarHBondContact O-OH 3.11Å; L101-Y119 VanDerWaalsContact O-OH 3.05Å; K113-Y119 HydrophobicContact CD-CE1 4.46Å; K113-Y119 VanDerWaalsContact CE-CZ 3.41Å; K113-Y119 HydrophobicContact CG-CD1 4.18Å
120L92.1Very high89Confident77 Ų7763.9 Ų63.940%0.40334%0.344SS..EExtended strand (participates in β ladder)trans-80.1131.7178.5-57.2-174000110.1N77 D112 D114 A118N77-L120 HydrophobicContact CB-CD2 3.7Å; D112-L120 HydrophobicContact CB-CB 4Å; D112-L120 HydrophobicContact CB-CD1 3.86Å; D112-L120 HydrophobicContact CB-CG 4.16Å; D112-L120 WeakPolarHBondContact O-CB 3.29Å; D112-L120 WeakPolarHBondContact O-CG 3.48Å; D112-L120 PolarHBondContact O-N 3.37Å; D114-L120 HydrophobicContact CB-CD2 3.96Å; A118-L120 PolarHBondContact O-N 3.26Å
121I93.1Very high91Very high10 Ų1056.8 Ų56.85%0.05131%0.306CS..EExtended strand (participates in β ladder)trans-132.4115.4178-58.9178000107.4L76 N77 V78 G79 F97 L98 L101 R123 Y158L76-I121 HydrophobicContact CD2-CD1 4.38Å; N77-I121 PolarHBondContact O-N 2.93Å; V78-I121 CarbonylContact C-O 3.53Å; V78-I121 WeakPolarHBondContact CA-O 3.14Å; V78-I121 HydrophobicContact CG1-CG2 4.35Å; V78-I121 HydrophobicContact CG2-CB 4.23Å; V78-I121 HydrophobicContact CG2-CD1 4.15Å; G79-I121 PolarHBondContact N-O 3.32Å; F97-I121 HydrophobicContact CE1-CD1 4.43Å; F97-I121 HydrophobicContact CE1-CG1 4.47Å; L98-I121 HydrophobicContact CD2-CD1 4.14Å; L101-I121 HydrophobicContact CD1-CD1 4.16Å; I121-R123 HydrophobicContact CG2-CB 3.96Å; I121-R123 HydrophobicContact CG2-CG 3.77Å; I121-R123 PolarHBondContact O-N 2.97Å; I121-Y158 HydrophobicContact CG2-CE1 4.25Å
122D94.5Very high92.5Very high159 Ų15955.5 Ų55.585%0.8530%0.297SS*.  trans-8268178.3-170.125.7000111.1
123R95.2Very high93.3Very high77 Ų7752.5 Ų52.529%0.29128%0.281SS..SBendtrans-141.1165.9178.6-64.2-60.6-66-174.9-4.8111.1V78 G79 I121 P125 E154 F157V78-R123 HydrophobicContact CG1-CB 4.2Å; G79-R123 VanDerWaalsContact CA-O 3.25Å; G79-R123 WeakPolarHBondContact CA-O 3.45Å; G79-R123 PolarHBondContact N-O 3.25Å; I121-R123 HydrophobicContact CG2-CB 3.96Å; I121-R123 HydrophobicContact CG2-CG 3.77Å; I121-R123 PolarHBondContact O-N 2.97Å; R123-P125 WeakPolarHBondContact O-CD 3.43Å; R123-E154 IonicContact CZ-OE1 3.63Å; R123-E154 IonicContact NE-OE1 3.17Å; R123-E154 PolarHBondContact NE-OE1 3.12Å; R123-E154 IonicContact NE-OE2 2.68Å; R123-E154 IonicContact NH2-OE1 2.9Å; R123-E154 PolarHBondContact NH2-OE1 3.39Å; R123-F157 HydrophobicContact CG-CD1 3.85Å; R123-F157 HydrophobicContact CG-CE1 3.51Å; R123-F157 HydrophobicContact CG-CE2 4.45Å; R123-F157 HydrophobicContact CG-CG 4.46Å; R123-F157 HydrophobicContact CG-CZ 3.84Å
124D94Very high93.7Very high68 Ų6849.1 Ų49.136%0.36427%0.265SS..  trans-72.8119-179.8-170.7-20.5000111.2T126 Y127D124-T126 PolarHBondContact O-N 2.84Å; D124-T126 WeakPolarHBondContact OD1-CB 3.21Å; D124-T126 PolarHBondContact OD1-N 3.39Å; D124-T126 PolarHBondContact OD1-OG1 3.3Å; D124-Y127 HydrophobicContact CB-CD2 4.18Å
125P96.3Very high94Very high28 Ų2847.8 Ų47.818%0.18226%0.258CS..Hα-helixtrans-66.2-21.1178.326.2-34.2000114.2V78 T81 F83 R123 Y127 F128V78-P125 HydrophobicContact CB-CB 4.43Å; V78-P125 HydrophobicContact CG1-CB 4.41Å; V78-P125 WeakPolarHBondContact O-CB 3.48Å; T81-P125 VanDerWaalsContact CB-CB 3.5Å; T81-P125 HydrophobicContact CG2-CB 4.21Å; T81-P125 WeakPolarHBondContact OG1-CB 3.38Å; T81-P125 WeakPolarHBondContact OG1-CG 3.36Å; F83-P125 HydrophobicContact CE2-CB 3.92Å; F83-P125 HydrophobicContact CZ-CB 4.22Å; R123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-Y127 VanDerWaalsContact C-N 3.31Å; P125-Y127 PolarHBondContact O-N 3.45Å; P125-F128 PolarHBondContact O-N 3.29Å
126T96.5Very high94.3Very high86 Ų8643.1 Ų43.153%0.52823%0.232SC..Hα-helixtrans-61.7-40.2-174.9-50.70000111.5D124 L146D124-T126 PolarHBondContact O-N 2.84Å; D124-T126 WeakPolarHBondContact OD1-CB 3.21Å; D124-T126 PolarHBondContact OD1-N 3.39Å; D124-T126 PolarHBondContact OD1-OG1 3.3Å; T126-L146 HydrophobicContact CG2-CD1 3.64Å
127Y96.6Very high94.6Very high56 Ų5643.8 Ų43.822%0.2223%0.23CC..Hα-helixtrans-92.2-9.7-179-61.1-73.3000113.4D124 P125 P130 L146 A147 V151 E154D124-Y127 HydrophobicContact CB-CD2 4.18Å; P125-Y127 VanDerWaalsContact C-N 3.31Å; P125-Y127 PolarHBondContact O-N 3.45Å; Y127-P130 WeakPolarHBondContact O-CD 3.39Å; Y127-L146 HydrophobicContact CD1-CD1 3.58Å; Y127-L146 HydrophobicContact CD1-CD2 4.2Å; Y127-L146 HydrophobicContact CD1-CG 3.79Å; Y127-L146 HydrophobicContact CE1-CD1 3.53Å; Y127-L146 HydrophobicContact CE1-CG 3.88Å; Y127-L146 HydrophobicContact CG-CD1 4.43Å; Y127-A147 HydrophobicContact CE1-CB 4.2Å; Y127-A147 WeakPolarHBondContact CE1-O 3.4Å; Y127-V151 HydrophobicContact CD1-CG2 3.92Å; Y127-E154 VanDerWaalsContact CB-CG 3.45Å; Y127-E154 HydrophobicContact CG-CG 4.45Å
128F96.6Very high95Very high0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-72.1-30.5-177.5-172.4-111.5000113.5L76 V78 F83 L98 P125 I131 L132 Y158L76-F128 HydrophobicContact CD1-CE1 4.02Å; L76-F128 HydrophobicContact CD1-CZ 3.7Å; V78-F128 HydrophobicContact CG1-CB 4.23Å; V78-F128 HydrophobicContact CG1-CG 4.28Å; V78-F128 HydrophobicContact CG2-CD1 3.85Å; V78-F128 HydrophobicContact CG2-CD2 4.41Å; V78-F128 HydrophobicContact CG2-CE1 3.91Å; V78-F128 HydrophobicContact CG2-CE2 4.48Å; V78-F128 HydrophobicContact CG2-CG 4.1Å; V78-F128 HydrophobicContact CG2-CZ 4.24Å; F83-F128 HydrophobicContact CB-CD1 4.47Å; F83-F128 HydrophobicContact CB-CE1 4.08Å; F83-F128 AromaticContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CD1 3.87Å; F83-F128 HydrophobicContact CD1-CE1 4.21Å; F83-F128 AromaticContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CD1 3.67Å; F83-F128 HydrophobicContact CD2-CE1 4.03Å; F83-F128 AromaticContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE1-CD1 3.94Å; F83-F128 HydrophobicContact CE2-CB 4.47Å; F83-F128 AromaticContact CE2-CD1 3.75Å; F83-F128 HydrophobicContact CE2-CD1 3.75Å; F83-F128 AromaticContact CG-CD1 3.74Å; F83-F128 HydrophobicContact CG-CD1 3.74Å; F83-F128 AromaticContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CG-CE1 3.84Å; F83-F128 HydrophobicContact CZ-CB 4.33Å; F83-F128 AromaticContact CZ-CD1 3.88Å; F83-F128 HydrophobicContact CZ-CD1 3.88Å; L98-F128 HydrophobicContact CD1-CE2 4.17Å; L98-F128 HydrophobicContact CD1-CZ 4.39Å; L98-F128 HydrophobicContact CD2-CE2 4.43Å; L98-F128 HydrophobicContact CD2-CZ 4.49Å; P125-F128 PolarHBondContact O-N 3.29Å; F128-I131 HydrophobicContact CD2-CB 4.46Å; F128-I131 WeakPolarHBondContact O-CB 3.48Å; F128-I131 PolarHBondContact O-N 2.99Å; F128-I131 VanDerWaalsContact O-N 3.09Å; F128-L132 HydrophobicContact CD1-CB 4.4Å; F128-L132 HydrophobicContact CE1-CB 4.05Å; F128-L132 HydrophobicContact CE1-CD2 4.13Å; F128-L132 HydrophobicContact CZ-CB 4.41Å; F128-L132 PolarHBondContact O-N 3.06Å; F128-Y158 HydrophobicContact CD2-CD2 4.47Å; F128-Y158 HydrophobicContact CD2-CE1 4.4Å; F128-Y158 AromaticContact CD2-CE2 3.59Å; F128-Y158 HydrophobicContact CD2-CE2 3.59Å; F128-Y158 AromaticContact CD2-CZ 3.56Å; F128-Y158 WeakPolarHBondContact CD2-OH 3.38Å; F128-Y158 HydrophobicContact CE2-CD2 4.49Å; F128-Y158 HydrophobicContact CE2-CE1 4.05Å; F128-Y158 AromaticContact CE2-CE2 3.89Å; F128-Y158 HydrophobicContact CE2-CE2 3.89Å; F128-Y158 AromaticContact CE2-CZ 3.67Å
129G96Very high95.2Very high20 Ų2050.5 Ų50.521%0.20626%0.259CS..Hα-helixtrans-52.1-54.7-178.700000113.8I131 L132 N133G129-I131 VanDerWaalsContact C-N 3.31Å; G129-I131 PolarHBondContact O-N 3.13Å; G129-L132 PolarHBondContact O-N 2.71Å; G129-N133 WeakPolarHBondContact O-CB 3.44Å; G129-N133 PolarHBondContact O-N 3.45Å; G129-N133 PolarHBondContact O-ND2 3.41Å
130P96.4Very high95.4Very high11 Ų1151.6 Ų51.67%0.07127%0.265CS..Hα-helixtrans-54.8-40.7173.7-28.734.4000114.3Y127 N133 Y134 I142 L146 V151Y127-P130 WeakPolarHBondContact O-CD 3.39Å; P130-N133 PolarHBondContact O-N 3.45Å; P130-Y134 WeakPolarHBondContact O-CB 3.49Å; P130-Y134 PolarHBondContact O-N 3Å; P130-I142 HydrophobicContact CB-CG1 4.49Å; P130-L146 HydrophobicContact CG-CD2 3.53Å; P130-V151 HydrophobicContact CB-CG1 4.03Å; P130-V151 HydrophobicContact CB-CG2 4.43Å; P130-V151 HydrophobicContact CG-CG2 4.13Å
131I96.6Very high95.5Very high0 Ų052.2 Ų52.20%027%0.268CS..Hα-helixtrans-62.6-49.8178.9-49.1-55.4000110.5F128 G129 N133 Y134 L135 V151 E154 A155 Y158 I160 L163F128-I131 HydrophobicContact CD2-CB 4.46Å; F128-I131 WeakPolarHBondContact O-CB 3.48Å; F128-I131 PolarHBondContact O-N 2.99Å; F128-I131 VanDerWaalsContact O-N 3.09Å; G129-I131 VanDerWaalsContact C-N 3.31Å; G129-I131 PolarHBondContact O-N 3.13Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.1Å; I131-Y134 WeakPolarHBondContact O-CB 3.25Å; I131-Y134 PolarHBondContact O-N 3.4Å; I131-L135 PolarHBondContact O-N 3.12Å; I131-L135 VanDerWaalsContact O-N 3.1Å; I131-V151 HydrophobicContact CD1-CG1 3.96Å; I131-E154 HydrophobicContact CD1-CB 4.1Å; I131-E154 HydrophobicContact CG1-CB 4.01Å; I131-A155 HydrophobicContact CD1-CB 3.93Å; I131-Y158 HydrophobicContact CG1-CD2 4.28Å; I131-Y158 HydrophobicContact CG1-CE2 4.43Å; I131-Y158 HydrophobicContact CG2-CD2 3.87Å; I131-Y158 HydrophobicContact CG2-CG 4.5Å; I131-I160 HydrophobicContact CG2-CD1 3.48Å; I131-I160 VanDerWaalsContact CG2-CD1 3.48Å; I131-L163 HydrophobicContact CB-CD2 4.43Å; I131-L163 HydrophobicContact CD1-CD2 3.5Å; I131-L163 HydrophobicContact CG2-CD2 4.11Å
132L96.5Very high95.6Very high3 Ų352.4 Ų52.42%0.01627%0.269CS..Hα-helixtrans-63.9-40-180-177.859.9000111.7F83 T85 T89 F128 G129 L135 R136F83-L132 HydrophobicContact CB-CD2 4.16Å; F83-L132 HydrophobicContact CD1-CD2 3.94Å; F83-L132 HydrophobicContact CG-CD2 4.42Å; T85-L132 HydrophobicContact CG2-CD1 4.24Å; T89-L132 HydrophobicContact CG2-CD1 4.36Å; F128-L132 HydrophobicContact CD1-CB 4.4Å; F128-L132 HydrophobicContact CE1-CB 4.05Å; F128-L132 HydrophobicContact CE1-CD2 4.13Å; F128-L132 HydrophobicContact CZ-CB 4.41Å; F128-L132 PolarHBondContact O-N 3.06Å; G129-L132 PolarHBondContact O-N 2.71Å; L132-L135 PolarHBondContact O-N 3.43Å; L132-R136 WeakPolarHBondContact O-CG 3.47Å; L132-R136 PolarHBondContact O-N 3.2Å
133N96.5Very high95.5Very high53 Ų5348.9 Ų48.928%0.28325%0.253SS..Hα-helixtrans-65.7-40.4176.8-78.9-20.8000111.9G129 P130 I131 L135 R136 H137G129-N133 WeakPolarHBondContact O-CB 3.44Å; G129-N133 PolarHBondContact O-N 3.45Å; G129-N133 PolarHBondContact O-ND2 3.41Å; P130-N133 PolarHBondContact O-N 3.45Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 3.1Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 2.92Å; N133-R136 PolarHBondContact O-N 3.06Å; N133-H137 WeakPolarHBondContact CB-NE2 3.4Å; N133-H137 PolarHBondContact O-CD2 2.86Å; N133-H137 VanDerWaalsContact O-CD2 3.24Å; N133-H137 PolarHBondContact O-CE1 3Å; N133-H137 PolarHBondContact O-N 3.33Å; N133-H137 PolarHBondContact O-ND1 3.13Å; N133-H137 PolarHBondContact O-NE2 3.24Å; N133-H137 VanDerWaalsContact O-NE2 3.16Å
134Y96.9Very high95.2Very high32 Ų3255.1 Ų55.113%0.12528%0.283CS..Hα-helixtrans-55.7-44.9171.1179.8-101.8000111.6P130 I131 R136 G138 I160 S162 L163 L166P130-Y134 WeakPolarHBondContact O-CB 3.49Å; P130-Y134 PolarHBondContact O-N 3Å; I131-Y134 WeakPolarHBondContact O-CB 3.25Å; I131-Y134 PolarHBondContact O-N 3.4Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 3.01Å; Y134-G138 WeakPolarHBondContact O-CA 3.49Å; Y134-G138 PolarHBondContact O-N 2.93Å; Y134-I160 HydrophobicContact CD1-CG2 4.11Å; Y134-I160 HydrophobicContact CE1-CG2 3.8Å; Y134-S162 VanDerWaalsContact OH-CB 3.25Å; Y134-S162 WeakPolarHBondContact OH-CB 3.26Å; Y134-S162 PolarHBondContact OH-OG 2.94Å; Y134-S162 VanDerWaalsContact OH-OG 3.13Å; Y134-L163 HydrophobicContact CD1-CB 3.88Å; Y134-L163 HydrophobicContact CD1-CD1 4Å; Y134-L163 HydrophobicContact CD1-CD2 3.89Å; Y134-L163 HydrophobicContact CD1-CG 4.16Å; Y134-L163 HydrophobicContact CD2-CD1 3.64Å; Y134-L163 HydrophobicContact CE1-CB 3.78Å; Y134-L163 HydrophobicContact CE1-CD1 4.42Å; Y134-L163 HydrophobicContact CE2-CD1 4.09Å; Y134-L163 HydrophobicContact CG-CB 4.35Å; Y134-L163 HydrophobicContact CG-CD1 3.58Å; Y134-L163 HydrophobicContact CG-CD2 4.02Å; Y134-L163 HydrophobicContact CG-CG 4.21Å; Y134-L166 HydrophobicContact CD2-CD1 4.43Å; Y134-L166 HydrophobicContact CE2-CD1 3.55Å
135L95Very high95Very high3 Ų359.6 Ų59.62%0.01630%0.302CS..Hα-helixtrans-67.6-26.5175.6-64.1177.9000113.4T89 R92 E93 L98 I131 L132 N133 I160T89-L135 HydrophobicContact CG2-CB 3.79Å; R92-L135 HydrophobicContact CB-CD2 4.22Å; R92-L135 WeakPolarHBondContact CD-O 3.25Å; R92-L135 PolarHBondContact NE-O 3.38Å; R92-L135 PolarHBondContact NH1-O 3.02Å; E93-L135 HydrophobicContact CB-CD2 4.4Å; L98-L135 HydrophobicContact CD1-CD1 3.56Å; I131-L135 PolarHBondContact O-N 3.12Å; I131-L135 VanDerWaalsContact O-N 3.1Å; L132-L135 PolarHBondContact O-N 3.43Å; N133-L135 VanDerWaalsContact C-N 3.29Å; N133-L135 PolarHBondContact O-N 2.92Å; L135-I160 HydrophobicContact CD1-CD1 4.25Å; L135-I160 HydrophobicContact CD2-CD1 4.15Å; L135-I160 HydrophobicContact CG-CD1 4.33Å
136R96.1Very high94.9Very high107 Ų10759.3 Ų59.340%0.40430%0.298SS..Hα-helixtrans-76.3-42.2178.3-74.4171.3174176.8-3.9113.1V84 T89 R92 L132 N133 Y134V84-R136 PolarHBondContact O-NH2 3.48Å; T89-R136 HydrophobicContact CG2-CB 4.48Å; T89-R136 HydrophobicContact CG2-CG 3.67Å; R92-R136 VanDerWaalsContact CZ-O 3.3Å; R92-R136 PolarHBondContact NH1-O 3.4Å; R92-R136 PolarHBondContact NH2-O 3.49Å; L132-R136 WeakPolarHBondContact O-CG 3.47Å; L132-R136 PolarHBondContact O-N 3.2Å; N133-R136 PolarHBondContact O-N 3.06Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 3.01Å
137H94.8Very high94.8Very high79 Ų7957.2 Ų57.237%0.36629%0.289SS..Hα-helixtrans-134.7-0.2-170.853.266.3000115N133 K139N133-H137 WeakPolarHBondContact CB-NE2 3.4Å; N133-H137 PolarHBondContact O-CD2 2.86Å; N133-H137 VanDerWaalsContact O-CD2 3.24Å; N133-H137 PolarHBondContact O-CE1 3Å; N133-H137 PolarHBondContact O-N 3.33Å; N133-H137 PolarHBondContact O-ND1 3.13Å; N133-H137 PolarHBondContact O-NE2 3.24Å; N133-H137 VanDerWaalsContact O-NE2 3.16Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact CE1-O 2.97Å; H137-K139 VanDerWaalsContact CE1-O 3.24Å; H137-K139 WeakPolarHBondContact ND1-CB 3.42Å; H137-K139 PolarHBondContact ND1-N 2.78Å; H137-K139 PolarHBondContact O-N 2.95Å
138G93.8Very high94.7Very high40 Ų4055.7 Ų55.741%0.41229%0.285SS..SBendtrans74.218.7174.800000114.6Y134Y134-G138 WeakPolarHBondContact O-CA 3.49Å; Y134-G138 PolarHBondContact O-N 2.93Å
139K95.5Very high94.7Very high143 Ų14361.2 Ų61.262%0.62231%0.31SS*.  trans-120.3135.3-179.8-56.3-176.1178.3-178.10110.2H137 I141H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact CE1-O 2.97Å; H137-K139 VanDerWaalsContact CE1-O 3.24Å; H137-K139 WeakPolarHBondContact ND1-CB 3.42Å; H137-K139 PolarHBondContact ND1-N 2.78Å; H137-K139 PolarHBondContact O-N 2.95Å; K139-I141 HydrophobicContact CB-CG1 4.42Å; K139-I141 PolarHBondContact O-N 3.13Å
140L94.7Very high94.7Very high31 Ų3160.9 Ų60.916%0.16231%0.307CS..  trans-79.4112.3173177.861000109.6I142 L163 L166 V167 R170L140-I142 HydrophobicContact CD1-CD1 3.88Å; L140-I142 HydrophobicContact CD1-CG1 3.74Å; L140-I142 HydrophobicContact CD2-CD1 4.31Å; L140-I142 HydrophobicContact CG-CD1 4.21Å; L140-I142 HydrophobicContact CG-CG1 4.14Å; L140-L163 HydrophobicContact CD1-CD1 3.75Å; L140-L166 HydrophobicContact CD2-CB 4.07Å; L140-V167 HydrophobicContact CD1-CG2 3.96Å; L140-V167 HydrophobicContact CD2-CB 4.5Å; L140-V167 HydrophobicContact CD2-CG2 3.83Å; L140-R170 HydrophobicContact CD2-CB 4.45Å
141I94.5Very high94.7Very high91 Ų9160.4 Ų60.447%0.46730%0.303SS..  trans-123.8111.9177.3-56176.7000107.5K139K139-I141 HydrophobicContact CB-CG1 4.42Å; K139-I141 PolarHBondContact O-N 3.13Å
142I93.7Very high94.7Very high14 Ų1461.6 Ų61.67%0.07231%0.31CS..  trans-119.7129.3177.3-56.1179.1000107.1P130 L140 L146 E148 V151P130-I142 HydrophobicContact CB-CG1 4.49Å; L140-I142 HydrophobicContact CD1-CD1 3.88Å; L140-I142 HydrophobicContact CD1-CG1 3.74Å; L140-I142 HydrophobicContact CD2-CD1 4.31Å; L140-I142 HydrophobicContact CG-CD1 4.21Å; L140-I142 HydrophobicContact CG-CG1 4.14Å; I142-L146 HydrophobicContact CG2-CB 3.95Å; I142-L146 HydrophobicContact CG2-CD2 4.25Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; I142-E148 HydrophobicContact CD1-CB 4.41Å; I142-E148 HydrophobicContact CD1-CG 4.04Å; I142-E148 HydrophobicContact CG2-CG 4.38Å; I142-V151 HydrophobicContact CD1-CB 4.16Å; I142-V151 HydrophobicContact CD1-CG1 4.12Å; I142-V151 HydrophobicContact CD1-CG2 4.09Å; I142-V151 HydrophobicContact CG1-CG1 4.48Å; I142-V151 HydrophobicContact CG1-CG2 4.31Å; I142-V151 HydrophobicContact CG2-CG2 4.37Å
143T92.4Very high94.8Very high84 Ų8466.8 Ų66.852%0.51533%0.334SS..  trans-72.5153.4174.453.30000110E145 L146T143-E145 WeakPolarHBondContact CB-OE2 3.48Å; T143-E145 PolarHBondContact O-N 3.49Å; T143-E145 VanDerWaalsContact O-N 3.14Å; T143-L146 PolarHBondContact O-N 3.14Å; T143-L146 VanDerWaalsContact O-N 3.1Å; T143-L146 WeakPolarHBondContact OG1-CB 3.37Å
144K88.8Confident94.8Very high208 Ų20864.5 Ų64.590%0.90432%0.322SS*.THydrogen-bonded Turntrans-64-24.9-172-68.2-177.3179-179.80113.2L146K144-L146 VanDerWaalsContact C-N 3.33Å
145E91.7Very high94.8Very high163 Ų16363 Ų6376%0.76232%0.316SS*.THydrogen-bonded Turntrans-84.7-11-177.2-52.372.6-154.300112.4T143T143-E145 WeakPolarHBondContact CB-OE2 3.48Å; T143-E145 PolarHBondContact O-N 3.49Å; T143-E145 VanDerWaalsContact O-N 3.14Å
146L93.4Very high94.8Very high22 Ų2266.8 Ų66.812%0.11533%0.333CS..SBendtrans-96.2124.1-175.6-165.669000110.1T126 Y127 P130 I142 T143 K144 E148 V151T126-L146 HydrophobicContact CG2-CD1 3.64Å; Y127-L146 HydrophobicContact CD1-CD1 3.58Å; Y127-L146 HydrophobicContact CD1-CD2 4.2Å; Y127-L146 HydrophobicContact CD1-CG 3.79Å; Y127-L146 HydrophobicContact CE1-CD1 3.53Å; Y127-L146 HydrophobicContact CE1-CG 3.88Å; Y127-L146 HydrophobicContact CG-CD1 4.43Å; P130-L146 HydrophobicContact CG-CD2 3.53Å; I142-L146 HydrophobicContact CG2-CB 3.95Å; I142-L146 HydrophobicContact CG2-CD2 4.25Å; I142-L146 HydrophobicContact CG2-CG 4.43Å; T143-L146 PolarHBondContact O-N 3.14Å; T143-L146 VanDerWaalsContact O-N 3.1Å; T143-L146 WeakPolarHBondContact OG1-CB 3.37Å; K144-L146 VanDerWaalsContact C-N 3.33Å; L146-E148 PolarHBondContact O-N 2.94Å; L146-V151 HydrophobicContact CD2-CG2 3.72Å; L146-V151 HydrophobicContact CG-CG2 4.16Å
147A94.7Very high94.8Very high41 Ų4165.9 Ų65.934%0.33933%0.333SS..  trans-62.8126.5177.600000110.8Y127 E149 G150 V151Y127-A147 HydrophobicContact CE1-CB 4.2Å; Y127-A147 WeakPolarHBondContact CE1-O 3.4Å; A147-E149 PolarHBondContact O-N 2.92Å; A147-G150 PolarHBondContact O-N 3.18Å; A147-V151 PolarHBondContact O-N 2.73Å
148E94.7Very high94.8Very high25 Ų2562.1 Ų62.112%0.11732%0.315CS..Hα-helixtrans-68.1-29.8-178.4-61.5-171.4159.600110.9I142 L146 V151 L152 R170 I171I142-E148 HydrophobicContact CD1-CB 4.41Å; I142-E148 HydrophobicContact CD1-CG 4.04Å; I142-E148 HydrophobicContact CG2-CG 4.38Å; L146-E148 PolarHBondContact O-N 2.94Å; E148-V151 PolarHBondContact O-N 2.97Å; E148-L152 PolarHBondContact O-N 3.05Å; E148-R170 WeakPolarHBondContact OE1-CD 3.45Å; E148-R170 IonicContact OE1-CZ 3.61Å; E148-R170 IonicContact OE1-NE 2.73Å; E148-R170 PolarHBondContact OE1-NE 3.24Å; E148-R170 IonicContact OE1-NH2 3.61Å; E148-I171 HydrophobicContact CB-CD1 4.19Å; E148-I171 HydrophobicContact CB-CG1 3.7Å
149E95.5Very high94.8Very high116 Ų11664.4 Ų64.454%0.54232%0.318SS..Hα-helixtrans-62.6-41174.6-60.576.1-167.200111.6A147 V151 L152 E153A147-E149 PolarHBondContact O-N 2.92Å; E149-V151 VanDerWaalsContact C-N 3.34Å; E149-V151 PolarHBondContact O-N 2.92Å; E149-L152 WeakPolarHBondContact O-CB 3.44Å; E149-L152 PolarHBondContact O-N 3.31Å; E149-E153 WeakPolarHBondContact O-CG 3.48Å; E149-E153 PolarHBondContact O-N 2.95Å
150G96.2Very high94.8Very high13 Ų1357.6 Ų57.613%0.13429%0.288CS..Hα-helixtrans-68.6-34.2176.500000112.6A147 L152 E154A147-G150 PolarHBondContact O-N 3.18Å; G150-L152 VanDerWaalsContact C-N 3.3Å; G150-E154 PolarHBondContact O-N 3.36Å
151V97Very high94.8Very high0 Ų059.3 Ų59.30%031%0.307CS..Hα-helixtrans-67.2-35.1172.1-177.70000110.9Y127 P130 I131 I142 L146 A147 E148 E149 A155 V167Y127-V151 HydrophobicContact CD1-CG2 3.92Å; P130-V151 HydrophobicContact CB-CG1 4.03Å; P130-V151 HydrophobicContact CB-CG2 4.43Å; P130-V151 HydrophobicContact CG-CG2 4.13Å; I131-V151 HydrophobicContact CD1-CG1 3.96Å; I142-V151 HydrophobicContact CD1-CB 4.16Å; I142-V151 HydrophobicContact CD1-CG1 4.12Å; I142-V151 HydrophobicContact CD1-CG2 4.09Å; I142-V151 HydrophobicContact CG1-CG1 4.48Å; I142-V151 HydrophobicContact CG1-CG2 4.31Å; I142-V151 HydrophobicContact CG2-CG2 4.37Å; L146-V151 HydrophobicContact CD2-CG2 3.72Å; L146-V151 HydrophobicContact CG-CG2 4.16Å; A147-V151 PolarHBondContact O-N 2.73Å; E148-V151 PolarHBondContact O-N 2.97Å; E149-V151 VanDerWaalsContact C-N 3.34Å; E149-V151 PolarHBondContact O-N 2.92Å; V151-A155 WeakPolarHBondContact O-CB 3.33Å; V151-A155 PolarHBondContact O-N 2.94Å; V151-V167 HydrophobicContact CG1-CG2 4.12Å
152L97.3Very high94.8Very high25 Ų2556.7 Ų56.713%0.13130%0.296CS..Hα-helixtrans-63.4-49.2176.3-18059.3000111.5E148 E149 G150 E154 A155 E156 V164 V167 K168 I171E148-L152 PolarHBondContact O-N 3.05Å; E149-L152 WeakPolarHBondContact O-CB 3.44Å; E149-L152 PolarHBondContact O-N 3.31Å; G150-L152 VanDerWaalsContact C-N 3.3Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.2Å; L152-A155 PolarHBondContact O-N 2.99Å; L152-A155 VanDerWaalsContact O-N 3.12Å; L152-E156 HydrophobicContact CD1-CG 4.31Å; L152-E156 WeakPolarHBondContact O-CG 3.34Å; L152-E156 PolarHBondContact O-N 3.18Å; L152-V164 HydrophobicContact CD1-CG1 3.99Å; L152-V167 HydrophobicContact CB-CG1 3.72Å; L152-V167 HydrophobicContact CD1-CB 4.2Å; L152-V167 HydrophobicContact CD1-CG1 4.17Å; L152-V167 HydrophobicContact CG-CG1 4.48Å; L152-K168 HydrophobicContact CD1-CD 4.45Å; L152-K168 HydrophobicContact CD1-CG 3.83Å; L152-K168 HydrophobicContact CD2-CG 4.13Å; L152-I171 HydrophobicContact CB-CD1 4.32Å; L152-I171 HydrophobicContact CD2-CD1 4Å
153E97.3Very high94.9Very high112 Ų11256 Ų5652%0.52329%0.293SS..Hα-helixtrans-56.1-45.3177.2-72.9-66140.300111.8E149 E156 F157E149-E153 WeakPolarHBondContact O-CG 3.48Å; E149-E153 PolarHBondContact O-N 2.95Å; E153-E156 PolarHBondContact O-N 3.27Å; E153-F157 WeakPolarHBondContact O-CB 3.42Å; E153-F157 PolarHBondContact O-N 3.36Å
154E96.4Very high95.1Very high6 Ų653 Ų533%0.02827%0.274CS..Hα-helixtrans-65.5-41.9175.4-71.5-53.3109.900112.3R123 Y127 I131 G150 L152 E156 F157 Y158R123-E154 IonicContact CZ-OE1 3.63Å; R123-E154 IonicContact NE-OE1 3.17Å; R123-E154 PolarHBondContact NE-OE1 3.12Å; R123-E154 IonicContact NE-OE2 2.68Å; R123-E154 IonicContact NH2-OE1 2.9Å; R123-E154 PolarHBondContact NH2-OE1 3.39Å; Y127-E154 VanDerWaalsContact CB-CG 3.45Å; Y127-E154 HydrophobicContact CG-CG 4.45Å; I131-E154 HydrophobicContact CD1-CB 4.1Å; I131-E154 HydrophobicContact CG1-CB 4.01Å; G150-E154 PolarHBondContact O-N 3.36Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.2Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 3.4Å; E154-F157 PolarHBondContact O-N 3.43Å; E154-Y158 HydrophobicContact CB-CD2 4.31Å; E154-Y158 HydrophobicContact CB-CE2 3.99Å; E154-Y158 HydrophobicContact CG-CE2 4.46Å; E154-Y158 WeakPolarHBondContact O-CD2 3.46Å; E154-Y158 PolarHBondContact O-N 2.96Å; E154-Y158 WeakPolarHBondContact OE2-CE2 3.49Å; E154-Y158 PolarHBondContact OE2-OH 3.46Å
155A96.6Very high95.5Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-62.3-3617900000112.4I131 V151 L152 N159 I160 L163 V164I131-A155 HydrophobicContact CD1-CB 3.93Å; V151-A155 WeakPolarHBondContact O-CB 3.33Å; V151-A155 PolarHBondContact O-N 2.94Å; L152-A155 PolarHBondContact O-N 2.99Å; L152-A155 VanDerWaalsContact O-N 3.12Å; A155-N159 PolarHBondContact O-N 3.31Å; A155-I160 PolarHBondContact O-N 3.24Å; A155-L163 HydrophobicContact CB-CB 4.42Å; A155-L163 HydrophobicContact CB-CD2 3.99Å; A155-L163 HydrophobicContact CB-CG 3.94Å; A155-V164 HydrophobicContact CB-CG2 3.79Å
156E96.4Very high95.7Very high83 Ų8345.1 Ų45.139%0.38824%0.235SC..Hα-helixtrans-70.2-44.2173.7-69.6-170.6166.900111.2L152 E153 E154 Y158 N159 V164 K168L152-E156 HydrophobicContact CD1-CG 4.31Å; L152-E156 WeakPolarHBondContact O-CG 3.34Å; L152-E156 PolarHBondContact O-N 3.18Å; E153-E156 PolarHBondContact O-N 3.27Å; E154-E156 VanDerWaalsContact C-N 3.27Å; E154-E156 PolarHBondContact O-N 3.4Å; E156-Y158 PolarHBondContact O-N 3.03Å; E156-N159 WeakPolarHBondContact O-CA 3.13Å; E156-N159 PolarHBondContact O-N 2.73Å; E156-V164 HydrophobicContact CB-CG2 4.44Å; E156-V164 HydrophobicContact CG-CG1 3.96Å; E156-V164 HydrophobicContact CG-CG2 3.68Å; E156-K168 VanDerWaalsContact OE1-CE 3.25Å; E156-K168 WeakPolarHBondContact OE1-CE 3.06Å; E156-K168 IonicContact OE1-NZ 2.78Å; E156-K168 PolarHBondContact OE1-NZ 3.44Å
157F95.2Very high95.8Very high88 Ų8844.1 Ų44.139%0.38623%0.23SC..Hα-helixtrans-58-48.6176.5176.9-95.8000112.8R123 E153 E154 N159R123-F157 HydrophobicContact CG-CD1 3.85Å; R123-F157 HydrophobicContact CG-CE1 3.51Å; R123-F157 HydrophobicContact CG-CE2 4.45Å; R123-F157 HydrophobicContact CG-CG 4.46Å; R123-F157 HydrophobicContact CG-CZ 3.84Å; E153-F157 WeakPolarHBondContact O-CB 3.42Å; E153-F157 PolarHBondContact O-N 3.36Å; E154-F157 PolarHBondContact O-N 3.43Å; F157-N159 PolarHBondContact O-N 3.37Å
158Y94.4Very high95.9Very high0 Ų046.7 Ų46.70%023%0.233CC..THydrogen-bonded Turntrans-74.3-2.9177.3-60.9-64.6000113.2S96 F97 L98 I121 F128 I131 E154 E156S96-Y158 CarbonylContact C-O 3.57Å; S96-Y158 WeakPolarHBondContact CA-O 3.41Å; S96-Y158 VanDerWaalsContact CB-O 3.23Å; S96-Y158 WeakPolarHBondContact CB-O 3.27Å; F97-Y158 HydrophobicContact CD1-CD1 4.13Å; F97-Y158 HydrophobicContact CD1-CE1 4.44Å; F97-Y158 PolarHBondContact N-O 3.39Å; L98-Y158 HydrophobicContact CD1-CD1 4.18Å; L98-Y158 HydrophobicContact CD1-CG 4.31Å; L98-Y158 HydrophobicContact CD2-CD1 4.01Å; L98-Y158 HydrophobicContact CD2-CE1 4.18Å; L98-Y158 HydrophobicContact CG-CD1 3.85Å; L98-Y158 HydrophobicContact CG-CE1 4.49Å; L98-Y158 HydrophobicContact CG-CG 4.37Å; I121-Y158 HydrophobicContact CG2-CE1 4.25Å; F128-Y158 HydrophobicContact CD2-CD2 4.47Å; F128-Y158 HydrophobicContact CD2-CE1 4.4Å; F128-Y158 AromaticContact CD2-CE2 3.59Å; F128-Y158 HydrophobicContact CD2-CE2 3.59Å; F128-Y158 AromaticContact CD2-CZ 3.56Å; F128-Y158 WeakPolarHBondContact CD2-OH 3.38Å; F128-Y158 HydrophobicContact CE2-CD2 4.49Å; F128-Y158 HydrophobicContact CE2-CE1 4.05Å; F128-Y158 AromaticContact CE2-CE2 3.89Å; F128-Y158 HydrophobicContact CE2-CE2 3.89Å; F128-Y158 AromaticContact CE2-CZ 3.67Å; I131-Y158 HydrophobicContact CG1-CD2 4.28Å; I131-Y158 HydrophobicContact CG1-CE2 4.43Å; I131-Y158 HydrophobicContact CG2-CD2 3.87Å; I131-Y158 HydrophobicContact CG2-CG 4.5Å; E154-Y158 HydrophobicContact CB-CD2 4.31Å; E154-Y158 HydrophobicContact CB-CE2 3.99Å; E154-Y158 HydrophobicContact CG-CE2 4.46Å; E154-Y158 WeakPolarHBondContact O-CD2 3.46Å; E154-Y158 PolarHBondContact O-N 2.96Å; E154-Y158 WeakPolarHBondContact OE2-CE2 3.49Å; E154-Y158 PolarHBondContact OE2-OH 3.46Å; E156-Y158 PolarHBondContact O-N 3.03Å
159N94.9Very high95.9Very high88 Ų8849.8 Ų49.847%0.47125%0.248SC..THydrogen-bonded Turntrans56.151.8179.9-168.631.2000113.3K95 A155 E156 F157K95-N159 PolarHBondContact O-ND2 3.44Å; A155-N159 PolarHBondContact O-N 3.31Å; E156-N159 WeakPolarHBondContact O-CA 3.13Å; E156-N159 PolarHBondContact O-N 2.73Å; F157-N159 PolarHBondContact O-N 3.37Å
160I95.3Very high95.8Very high0 Ų048.6 Ų48.60%024%0.239CC..  trans-105.580.7178.5-54.4168.8000108.7E93 I131 Y134 L135 A155 S162 L163 V164E93-I160 HydrophobicContact CG-CG1 4.46Å; E93-I160 HydrophobicContact CG-CG2 4.18Å; I131-I160 HydrophobicContact CG2-CD1 3.48Å; I131-I160 VanDerWaalsContact CG2-CD1 3.48Å; Y134-I160 HydrophobicContact CD1-CG2 4.11Å; Y134-I160 HydrophobicContact CE1-CG2 3.8Å; L135-I160 HydrophobicContact CD1-CD1 4.25Å; L135-I160 HydrophobicContact CD2-CD1 4.15Å; L135-I160 HydrophobicContact CG-CD1 4.33Å; A155-I160 PolarHBondContact O-N 3.24Å; I160-S162 VanDerWaalsContact C-N 3.25Å; I160-S162 PolarHBondContact O-N 2.98Å; I160-L163 HydrophobicContact CB-CB 3.98Å; I160-L163 HydrophobicContact CD1-CD2 4.43Å; I160-L163 HydrophobicContact CG2-CB 3.49Å; I160-L163 VanDerWaalsContact CG2-CB 3.49Å; I160-L163 HydrophobicContact CG2-CD2 4.37Å; I160-L163 WeakPolarHBondContact O-CA 3.47Å; I160-L163 WeakPolarHBondContact O-CB 3.4Å; I160-L163 PolarHBondContact O-N 2.68Å; I160-V164 WeakPolarHBondContact O-CG2 3.43Å; I160-V164 PolarHBondContact O-N 3.11Å
161A94.3Very high95.6Very high66 Ų6649 Ų4955%0.54524%0.237SC..Hα-helixtrans-56.3-37.3-172.300000113.9L163 V164 R165A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 2.97Å; A161-V164 PolarHBondContact O-N 3.1Å; A161-R165 PolarHBondContact O-N 3.14Å; A161-R165 VanDerWaalsContact O-N 3.1Å
162S95Very high95.3Very high36 Ų3656.3 Ų56.325%0.25227%0.265SS..Hα-helixtrans-61.6-38.3176.8520000112.1E93 Y134 I160 L166E93-S162 PolarHBondContact OE2-OG 3.47Å; Y134-S162 VanDerWaalsContact OH-CB 3.25Å; Y134-S162 WeakPolarHBondContact OH-CB 3.26Å; Y134-S162 PolarHBondContact OH-OG 2.94Å; Y134-S162 VanDerWaalsContact OH-OG 3.13Å; I160-S162 VanDerWaalsContact C-N 3.25Å; I160-S162 PolarHBondContact O-N 2.98Å; S162-L166 WeakPolarHBondContact O-CG 2.98Å; S162-L166 PolarHBondContact O-N 3.26Å
163L96.1Very high94.9Very high0 Ų059 Ų590%028%0.279CS..Hα-helixtrans-76.2-44.9176.3-175.555.8000112.1I131 Y134 L140 A155 I160 A161 R165 L166 V167I131-L163 HydrophobicContact CB-CD2 4.43Å; I131-L163 HydrophobicContact CD1-CD2 3.5Å; I131-L163 HydrophobicContact CG2-CD2 4.11Å; Y134-L163 HydrophobicContact CD1-CB 3.88Å; Y134-L163 HydrophobicContact CD1-CD1 4Å; Y134-L163 HydrophobicContact CD1-CD2 3.89Å; Y134-L163 HydrophobicContact CD1-CG 4.16Å; Y134-L163 HydrophobicContact CD2-CD1 3.64Å; Y134-L163 HydrophobicContact CE1-CB 3.78Å; Y134-L163 HydrophobicContact CE1-CD1 4.42Å; Y134-L163 HydrophobicContact CE2-CD1 4.09Å; Y134-L163 HydrophobicContact CG-CB 4.35Å; Y134-L163 HydrophobicContact CG-CD1 3.58Å; Y134-L163 HydrophobicContact CG-CD2 4.02Å; Y134-L163 HydrophobicContact CG-CG 4.21Å; L140-L163 HydrophobicContact CD1-CD1 3.75Å; A155-L163 HydrophobicContact CB-CB 4.42Å; A155-L163 HydrophobicContact CB-CD2 3.99Å; A155-L163 HydrophobicContact CB-CG 3.94Å; I160-L163 HydrophobicContact CB-CB 3.98Å; I160-L163 HydrophobicContact CD1-CD2 4.43Å; I160-L163 HydrophobicContact CG2-CB 3.49Å; I160-L163 VanDerWaalsContact CG2-CB 3.49Å; I160-L163 HydrophobicContact CG2-CD2 4.37Å; I160-L163 WeakPolarHBondContact O-CA 3.47Å; I160-L163 WeakPolarHBondContact O-CB 3.4Å; I160-L163 PolarHBondContact O-N 2.68Å; A161-L163 VanDerWaalsContact C-N 3.3Å; A161-L163 PolarHBondContact O-N 2.97Å; L163-R165 PolarHBondContact O-N 3.37Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 3.26Å; L163-V167 HydrophobicContact CD1-CG2 4.17Å; L163-V167 HydrophobicContact CG-CG2 4.31Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.94Å
164V96.6Very high94.4Very high20 Ų2057.5 Ų57.512%0.12128%0.275CS..Hα-helixtrans-52.3-44.6176.3172.10000110.5L152 A155 E156 I160 A161 V167 K168L152-V164 HydrophobicContact CD1-CG1 3.99Å; A155-V164 HydrophobicContact CB-CG2 3.79Å; E156-V164 HydrophobicContact CB-CG2 4.44Å; E156-V164 HydrophobicContact CG-CG1 3.96Å; E156-V164 HydrophobicContact CG-CG2 3.68Å; I160-V164 WeakPolarHBondContact O-CG2 3.43Å; I160-V164 PolarHBondContact O-N 3.11Å; A161-V164 PolarHBondContact O-N 3.1Å; V164-V167 PolarHBondContact O-N 3.23Å; V164-K168 HydrophobicContact CG1-CD 4.16Å; V164-K168 WeakPolarHBondContact O-CG 3.23Å; V164-K168 PolarHBondContact O-N 3.49Å
165R96Very high93.9Very high159 Ų15962.6 Ų62.660%0.630%0.299SS*.Hα-helixtrans-60.1-46.6176.2-172.7177.96786.8-0.6112.4A161 L163 K168 E169A161-R165 PolarHBondContact O-N 3.14Å; A161-R165 VanDerWaalsContact O-N 3.1Å; L163-R165 PolarHBondContact O-N 3.37Å; R165-K168 PolarHBondContact O-N 2.74Å; R165-E169 IonicContact NH1-OE2 3.91Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 3.01Å
166L95.9Very high93.1Very high48 Ų4866.6 Ų66.625%0.25132%0.32SS..Hα-helixtrans-64.9-38.3-179.7-69.8170.6000112.3Y134 L140 S162 L163 R170Y134-L166 HydrophobicContact CD2-CD1 4.43Å; Y134-L166 HydrophobicContact CE2-CD1 3.55Å; L140-L166 HydrophobicContact CD2-CB 4.07Å; S162-L166 WeakPolarHBondContact O-CG 2.98Å; S162-L166 PolarHBondContact O-N 3.26Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 3.26Å; L166-R170 WeakPolarHBondContact O-CB 3.14Å; L166-R170 PolarHBondContact O-N 2.68Å
167V96.2Very high92.2Very high0 Ų072.2 Ų72.20%034%0.338CS..Hα-helixtrans-69.1-44.4177.7-178.90000110.4L140 V151 L152 L163 V164 E169 R170 I171L140-V167 HydrophobicContact CD1-CG2 3.96Å; L140-V167 HydrophobicContact CD2-CB 4.5Å; L140-V167 HydrophobicContact CD2-CG2 3.83Å; V151-V167 HydrophobicContact CG1-CG2 4.12Å; L152-V167 HydrophobicContact CB-CG1 3.72Å; L152-V167 HydrophobicContact CD1-CB 4.2Å; L152-V167 HydrophobicContact CD1-CG1 4.17Å; L152-V167 HydrophobicContact CG-CG1 4.48Å; L163-V167 HydrophobicContact CD1-CG2 4.17Å; L163-V167 HydrophobicContact CG-CG2 4.31Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.94Å; V164-V167 PolarHBondContact O-N 3.23Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.02Å; V167-R170 PolarHBondContact O-N 2.9Å; V167-I171 HydrophobicContact CG1-CD1 3.89Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.43Å; V167-I171 PolarHBondContact O-N 3.2Å
168K95.9Very high91.2Very high95 Ų9573.3 Ų73.341%0.41335%0.352SS..Hα-helixtrans-61.2-39.4176-72.2-177.3-175.4-179.30112.9L152 E156 V164 R165 R172L152-K168 HydrophobicContact CD1-CD 4.45Å; L152-K168 HydrophobicContact CD1-CG 3.83Å; L152-K168 HydrophobicContact CD2-CG 4.13Å; E156-K168 VanDerWaalsContact OE1-CE 3.25Å; E156-K168 WeakPolarHBondContact OE1-CE 3.06Å; E156-K168 IonicContact OE1-NZ 2.78Å; E156-K168 PolarHBondContact OE1-NZ 3.44Å; V164-K168 HydrophobicContact CG1-CD 4.16Å; V164-K168 WeakPolarHBondContact O-CG 3.23Å; V164-K168 PolarHBondContact O-N 3.49Å; R165-K168 PolarHBondContact O-N 2.74Å; K168-R172 WeakPolarHBondContact O-CB 3.49Å; K168-R172 PolarHBondContact O-N 3.24Å; K168-R172 VanDerWaalsContact O-N 3.12Å
169E94.7Very high89.8Confident91 Ų9177.6 Ų77.643%0.42538%0.382SS..Hα-helixtrans-63.1-45.1175-176171.4-166.900111.1R165 V167 R172 D173R165-E169 IonicContact NH1-OE2 3.91Å; R165-E169 WeakPolarHBondContact O-CB 3.49Å; R165-E169 PolarHBondContact O-N 3.01Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.02Å; E169-R172 PolarHBondContact O-N 2.94Å; E169-D173 PolarHBondContact O-N 3Å
170R93Very high88.3Confident91 Ų9179.3 Ų79.334%0.34339%0.387SS..Hα-helixtrans-63.8-44.3178.3-174.3173.6174.1138.9-3.2113.3L140 E148 L166 V167 R172 D173 N174L140-R170 HydrophobicContact CD2-CB 4.45Å; E148-R170 WeakPolarHBondContact OE1-CD 3.45Å; E148-R170 IonicContact OE1-CZ 3.61Å; E148-R170 IonicContact OE1-NE 2.73Å; E148-R170 PolarHBondContact OE1-NE 3.24Å; E148-R170 IonicContact OE1-NH2 3.61Å; L166-R170 WeakPolarHBondContact O-CB 3.14Å; L166-R170 PolarHBondContact O-N 2.68Å; V167-R170 PolarHBondContact O-N 2.9Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.18Å; R170-D173 PolarHBondContact O-N 3Å; R170-N174 WeakPolarHBondContact O-CB 3.35Å; R170-N174 PolarHBondContact O-N 3.34Å
171I92.9Very high86.7Confident20 Ų2081.6 Ų81.610%0.10341%0.41CS..Hα-helixtrans-58.5-48.7175.8-69.5167.6000109.5E148 L152 V167 D173 N174 E175E148-I171 HydrophobicContact CB-CD1 4.19Å; E148-I171 HydrophobicContact CB-CG1 3.7Å; L152-I171 HydrophobicContact CB-CD1 4.32Å; L152-I171 HydrophobicContact CD2-CD1 4Å; V167-I171 HydrophobicContact CG1-CD1 3.89Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.43Å; V167-I171 PolarHBondContact O-N 3.2Å; I171-D173 VanDerWaalsContact C-N 3.34Å; I171-D173 PolarHBondContact O-N 3.36Å; I171-N174 WeakPolarHBondContact O-CB 3.39Å; I171-N174 PolarHBondContact O-N 3.32Å; I171-N174 VanDerWaalsContact O-N 3.13Å; I171-E175 HydrophobicContact CG2-CG 4.43Å; I171-E175 WeakPolarHBondContact O-CG 3.47Å; I171-E175 PolarHBondContact O-N 3.41Å
172R91.2Very high85.5Confident154 Ų15484.5 Ų84.558%0.58142%0.424SS*.Hα-helixtrans-60-41.5177.9-173.8-170.2-58.6169.81.9112.6K168 E169 R170 N174 E175 N176K168-R172 WeakPolarHBondContact O-CB 3.49Å; K168-R172 PolarHBondContact O-N 3.24Å; K168-R172 VanDerWaalsContact O-N 3.12Å; E169-R172 PolarHBondContact O-N 2.94Å; R170-R172 VanDerWaalsContact C-N 3.33Å; R170-R172 PolarHBondContact O-N 3.18Å; R172-N174 VanDerWaalsContact C-N 3.32Å; R172-E175 PolarHBondContact O-N 3.32Å; R172-N176 WeakPolarHBondContact O-CB 3.1Å; R172-N176 PolarHBondContact O-N 2.89Å; R172-N176 PolarHBondContact O-ND2 3.19Å
173D89Confident84.7Confident81 Ų8186.4 Ų86.443%0.43343%0.434SS..Hα-helixtrans-65.9-38.2177.2-75-15.8000111.5E169 R170 I171 N176 R177E169-D173 PolarHBondContact O-N 3Å; R170-D173 PolarHBondContact O-N 3Å; I171-D173 VanDerWaalsContact C-N 3.34Å; I171-D173 PolarHBondContact O-N 3.36Å; D173-N176 PolarHBondContact O-N 3.16Å; D173-R177 WeakPolarHBondContact O-CB 3.47Å; D173-R177 WeakPolarHBondContact O-CG 3.43Å; D173-R177 PolarHBondContact O-N 3.41Å
174N86.7Confident84.2Confident82 Ų8292.7 Ų92.744%0.43946%0.461SS..Hα-helixtrans-68-41.2176.5-165.629.8000112R170 I171 R172 R177 T178R170-N174 WeakPolarHBondContact O-CB 3.35Å; R170-N174 PolarHBondContact O-N 3.34Å; I171-N174 WeakPolarHBondContact O-CB 3.39Å; I171-N174 PolarHBondContact O-N 3.32Å; I171-N174 VanDerWaalsContact O-N 3.13Å; R172-N174 VanDerWaalsContact C-N 3.32Å; N174-R177 PolarHBondContact O-N 3.37Å; N174-T178 WeakPolarHBondContact O-CB 3.4Å; N174-T178 PolarHBondContact O-N 3.4Å; N174-T178 PolarHBondContact O-OG1 3.24Å
175E84.5Confident83.8Confident112 Ų11295 Ų9552%0.52347%0.47SS..Hα-helixtrans-59.6-48.6170.3-71.8179142.200110.5I171 R172 R177 T178 S179I171-E175 HydrophobicContact CG2-CG 4.43Å; I171-E175 WeakPolarHBondContact O-CG 3.47Å; I171-E175 PolarHBondContact O-N 3.41Å; R172-E175 PolarHBondContact O-N 3.32Å; E175-R177 VanDerWaalsContact C-N 3.26Å; E175-R177 PolarHBondContact O-N 3.09Å; E175-T178 PolarHBondContact O-N 3.06Å; E175-T178 VanDerWaalsContact O-N 3.13Å; E175-S179 WeakPolarHBondContact O-CA 3.5Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.1Å; E175-S179 PolarHBondContact O-OG 3.27Å; E175-S179 VanDerWaalsContact O-OG 3.06Å
176N81.1Confident83.7Confident84 Ų8490.1 Ų90.145%0.44946%0.458SS..Hα-helixtrans-61.3-32.9178.3-75.2-24000113.3R172 D173 Q180R172-N176 WeakPolarHBondContact O-CB 3.1Å; R172-N176 PolarHBondContact O-N 2.89Å; R172-N176 PolarHBondContact O-ND2 3.19Å; D173-N176 PolarHBondContact O-N 3.16Å; N176-Q180 WeakPolarHBondContact O-CG 3.17Å; N176-Q180 PolarHBondContact O-N 3.35Å
177R78.1Confident83.7Confident201 Ų20194.1 Ų94.176%0.75847%0.471SS*.Hα-helixtrans-74.6-35.3176.4-72.1176.780.8-171.75.3112.3D173 N174 E175D173-R177 WeakPolarHBondContact O-CB 3.47Å; D173-R177 WeakPolarHBondContact O-CG 3.43Å; D173-R177 PolarHBondContact O-N 3.41Å; N174-R177 PolarHBondContact O-N 3.37Å; E175-R177 VanDerWaalsContact C-N 3.26Å; E175-R177 PolarHBondContact O-N 3.09Å
178T73.7Confident83.6Confident111 Ų111100.9 Ų100.968%0.68150%0.496SS*.Hα-helixtrans-81.1-35179-56.70000111.7N174 E175 Q180N174-T178 WeakPolarHBondContact O-CB 3.4Å; N174-T178 PolarHBondContact O-N 3.4Å; N174-T178 PolarHBondContact O-OG1 3.24Å; E175-T178 PolarHBondContact O-N 3.06Å; E175-T178 VanDerWaalsContact O-N 3.13Å; T178-Q180 VanDerWaalsContact C-N 3.31Å
179S65.4Low83.6Confident91 Ų91100.6 Ų100.664%0.63650%0.502SS*.  trans-90.414.7179.1-55.90000113.1E175 G181E175-S179 WeakPolarHBondContact O-CA 3.5Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.1Å; E175-S179 PolarHBondContact O-OG 3.27Å; E175-S179 VanDerWaalsContact O-OG 3.06Å; S179-G181 PolarHBondContact O-N 3Å
180Q61.6Low83.5Confident124 Ų12499.1 Ų99.158%0.57950%0.497SS*.  trans-62.689.7159.2-68.3-142.5-23.300106.8N176 T178N176-Q180 WeakPolarHBondContact O-CG 3.17Å; N176-Q180 PolarHBondContact O-N 3.35Å; T178-Q180 VanDerWaalsContact C-N 3.31Å
181G63.8Low83.4Confident47 Ų47100.9 Ų100.949%0.48551%0.509SS..  trans-56.1175.5175.800000110.8S179 V183S179-G181 PolarHBondContact O-N 3Å; G181-V183 PolarHBondContact O-N 3.5Å; G181-V183 VanDerWaalsContact O-N 3.11Å
182P68.9Low83.3Confident127 Ų127100.2 Ų100.283%0.82551%0.506SS*.SBendtrans-48.2127.1-179.820.3-31.7000109.7K184P182-K184 PolarHBondContact O-N 3.4Å
183V77Confident83.2Confident76 Ų7695.4 Ų95.446%0.46149%0.49SS..PPolyproline II helixtrans-52125.7-178.4-74.50000108.9G181 H185 E237G181-V183 PolarHBondContact O-N 3.5Å; G181-V183 VanDerWaalsContact O-N 3.11Å; V183-H185 VanDerWaalsContact CG2-CE1 3.48Å; V183-H185 WeakPolarHBondContact CG2-CE1 3.46Å; V183-H185 PolarHBondContact O-ND1 3.17Å; V183-E237 HydrophobicContact CG2-CG 4.47Å
184K85Confident83.2Confident133 Ų13397.2 Ų97.258%0.57850%0.496SS*.EExtended strand (participates in β ladder)trans-72.4137.8177.6-68.6-179.2-179.3178.20107.7P182 L238P182-K184 PolarHBondContact O-N 3.4Å; K184-L238 HydrophobicContact CB-CB 4.09Å; K184-L238 HydrophobicContact CB-CD1 3.98Å; K184-L238 WeakPolarHBondContact O-CB 3.24Å; K184-L238 PolarHBondContact O-N 2.91Å
185H89.4Confident83.3Confident68 Ų68100.3 Ų100.332%0.31551%0.508SS..EExtended strand (participates in β ladder)trans-113.2142.2175.4-69.477.8000109.6V183 Y187 R236 E237V183-H185 VanDerWaalsContact CG2-CE1 3.48Å; V183-H185 WeakPolarHBondContact CG2-CE1 3.46Å; V183-H185 PolarHBondContact O-ND1 3.17Å; H185-Y187 HydrophobicContact CB-CD2 4.41Å; H185-Y187 HydrophobicContact CB-CE2 3.66Å; H185-R236 CarbonylContact C-O 3.55Å; H185-R236 WeakPolarHBondContact CA-O 3.37Å; H185-E237 VanDerWaalsContact NE2-CG 3.29Å; H185-E237 WeakPolarHBondContact NE2-CG 3.45Å; H185-E237 IonicContact NE2-OE1 3.99Å
186V93.3Very high83.6Confident56 Ų5699.6 Ų99.634%0.33951%0.505SS..EExtended strand (participates in β ladder)trans-104.7130.4166.5175.80000107.8W208 S235 R236 L238V186-W208 HydrophobicContact CG1-CH2 4.17Å; V186-S235 CarbonylContact O-C 3.6Å; V186-S235 VanDerWaalsContact O-CA 3.26Å; V186-S235 WeakPolarHBondContact O-CA 3.26Å; V186-R236 PolarHBondContact N-O 3.41Å; V186-R236 PolarHBondContact O-N 2.92Å; V186-L238 HydrophobicContact CG2-CD1 3.4Å; V186-L238 HydrophobicContact CG2-CD2 4.09Å; V186-L238 HydrophobicContact CG2-CG 3.68Å
187Y95.5Very high84Confident132 Ų13297.1 Ų97.152%0.51849%0.491SS..EExtended strand (participates in β ladder)trans-105.7144.6176.3-62.9-90.8000110.4H185 E211 V233 V234H185-Y187 HydrophobicContact CB-CD2 4.41Å; H185-Y187 HydrophobicContact CB-CE2 3.66Å; Y187-E211 HydrophobicContact CD1-CG 4.38Å; Y187-E211 HydrophobicContact CE1-CG 4.13Å; Y187-V233 HydrophobicContact CD1-CG1 4.35Å; Y187-V234 CarbonylContact C-O 3.56Å; Y187-V234 VanDerWaalsContact CA-O 3.27Å; Y187-V234 WeakPolarHBondContact CA-O 3.49Å
188R94.8Very high84.7Confident142 Ų14292.5 Ų92.554%0.53649%0.486SS..EExtended strand (participates in β ladder)trans-129.6150.1166.3-73-179.6-176.8173.7-2.1109.1W208 V233 V234R188-W208 HydrophobicContact CB-CH2 4.06Å; R188-W208 HydrophobicContact CB-CZ3 3.81Å; R188-W208 HydrophobicContact CG-CH2 3.39Å; R188-W208 HydrophobicContact CG-CZ2 4.27Å; R188-W208 HydrophobicContact CG-CZ3 3.66Å; R188-W208 VanDerWaalsContact NE-CH2 3.28Å; R188-V233 WeakPolarHBondContact O-CA 3.25Å; R188-V234 HydrophobicContact CB-CG2 3.77Å; R188-V234 PolarHBondContact N-O 3.39Å; R188-V234 WeakPolarHBondContact O-CG2 3.39Å; R188-V234 PolarHBondContact O-N 3.42Å
189V95Very high85.6Confident89 Ų8993.4 Ų93.454%0.53948%0.482SS..EExtended strand (participates in β ladder)trans-115.5121.1172.6-174.10000107.1L231 C232 V233V189-L231 HydrophobicContact CG1-CB 3.82Å; V189-L231 HydrophobicContact CG1-CD1 4.27Å; V189-L231 HydrophobicContact CG1-CD2 4.12Å; V189-L231 HydrophobicContact CG1-CG 4.27Å; V189-C232 WeakPolarHBondContact CA-O 3.27Å; V189-V233 HydrophobicContact CG2-CG2 4.35Å
190L93.3Very high86.8Confident61 Ų6190.6 Ų90.632%0.31946%0.46SS..EExtended strand (participates in β ladder)trans-107.1131.5178.9-54.1177.2000108.3M200 L231 C232 V234L190-M200 HydrophobicContact CB-SD 3.78Å; L190-M200 HydrophobicContact CD1-CG 4.34Å; L190-M200 HydrophobicContact CD1-SD 4.04Å; L190-L231 CarbonylContact O-C 3.59Å; L190-L231 WeakPolarHBondContact O-CA 3.09Å; L190-C232 HydrophobicContact CB-CB 4.35Å; L190-C232 PolarHBondContact N-O 3.06Å; L190-C232 PolarHBondContact O-N 3.43Å; L190-V234 HydrophobicContact CD1-CG1 4.4Å; L190-V234 HydrophobicContact CD1-CG2 4.28Å; L190-V234 HydrophobicContact CG-CG2 4.37Å
191Q91.9Very high88.2Confident127 Ų12787.5 Ų87.559%0.59345%0.449SS*.EExtended strand (participates in β ladder)trans-96.1136.2171.7-173.7179.84.500108.5E229 F230 L231Q191-E229 PolarHBondContact NE2-OE2 2.83Å; Q191-F230 WeakPolarHBondContact CA-O 3.38Å; Q191-L231 HydrophobicContact CB-CD2 4.03Å; Q191-L231 HydrophobicContact CG-CD2 4.17Å
192C89.7Confident89.5Confident7 Ų789.8 Ų89.85%0.04746%0.457CS..EExtended strand (participates in β ladder)trans-148155.1176.359.50000110.7E196 M200 F230C192-E196 HydrophobicContact CB-CB 4.49Å; C192-M200 HydrophobicContact CB-CE 4.42Å; C192-M200 HydrophobicContact CB-SD 3.75Å; C192-M200 VanDerWaalsContact SG-CE 3.56Å; C192-M200 VanDerWaalsContact SG-SD 3.63Å; C192-F230 PolarHBondContact N-O 2.98Å; C192-F230 PolarHBondContact O-N 2.97Å
193Q89.7Confident90.6Very high52 Ų5288.3 Ų88.324%0.24345%0.446CS..EExtended strand (participates in β ladder)trans-79158168.9-60.1-175.3-100110.3E195 E196 L197Q193-E195 HydrophobicContact CB-CG 4.17Å; Q193-E195 PolarHBondContact O-N 3.33Å; Q193-E196 PolarHBondContact O-N 3.09Å; Q193-L197 PolarHBondContact O-N 3.39Å; Q193-L197 VanDerWaalsContact O-N 3.14Å
194E88.9Confident91.3Very high120 Ų12086.7 Ų86.756%0.56143%0.434SS*.G310 helixtrans-50.7-43.4178.2-171.1172.4178.800112.8E196 L197 A228 F230E194-E196 VanDerWaalsContact C-N 3.29Å; E194-E196 PolarHBondContact O-N 3.38Å; E194-L197 WeakPolarHBondContact O-CB 3.27Å; E194-L197 PolarHBondContact O-N 3.08Å; E194-A228 HydrophobicContact CB-CB 4.22Å; E194-A228 PolarHBondContact N-O 2.99Å; E194-A228 WeakPolarHBondContact OE2-CB 3.18Å; E194-F230 HydrophobicContact CB-CD2 4.44Å; E194-F230 HydrophobicContact CB-CE2 3.79Å; E194-F230 HydrophobicContact CG-CE2 3.93Å
195E89.5Confident91.5Very high147 Ų14784.3 Ų84.369%0.68743%0.434SS*.G310 helixtrans-67.7-25.3-179.359-167.5-129.300113.9Q193Q193-E195 HydrophobicContact CB-CG 4.17Å; Q193-E195 PolarHBondContact O-N 3.33Å
196E90.9Very high91.6Very high96 Ų9688.5 Ų88.545%0.44946%0.459SS..G310 helixtrans-94.4-13.4180-60.2-174.7142.400113C192 Q193 E194 T198 Q199 M200C192-E196 HydrophobicContact CB-CB 4.49Å; Q193-E196 PolarHBondContact O-N 3.09Å; E194-E196 VanDerWaalsContact C-N 3.29Å; E194-E196 PolarHBondContact O-N 3.38Å; E196-T198 PolarHBondContact O-N 3.38Å; E196-Q199 PolarHBondContact O-N 3.13Å; E196-Q199 VanDerWaalsContact O-N 3.13Å; E196-M200 WeakPolarHBondContact O-CB 3.38Å; E196-M200 PolarHBondContact O-N 3.26Å
197L89.7Confident91.4Very high32 Ų3287.6 Ų87.617%0.16846%0.461CS..Hα-helixtrans-55-48-171.1175.560.6000112.6Q193 E194 Q199 M200 V201 L213Q193-L197 PolarHBondContact O-N 3.39Å; Q193-L197 VanDerWaalsContact O-N 3.14Å; E194-L197 WeakPolarHBondContact O-CB 3.27Å; E194-L197 PolarHBondContact O-N 3.08Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 3.15Å; L197-M200 HydrophobicContact CD1-CE 3.76Å; L197-M200 PolarHBondContact O-N 3.01Å; L197-V201 HydrophobicContact CD1-CG2 4.19Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.21Å; L197-L213 HydrophobicContact CD1-CD1 3.59Å; L197-L213 HydrophobicContact CD1-CD2 4.15Å; L197-L213 HydrophobicContact CD2-CD2 3.65Å
198T91.9Very high91.3Very high104 Ų10483 Ų8364%0.63844%0.443SS*.Hα-helixtrans-65.3-41.2-178.3-63.50000111.2E196 S202E196-T198 PolarHBondContact O-N 3.38Å; T198-S202 VanDerWaalsContact O-CB 3.26Å; T198-S202 WeakPolarHBondContact O-CB 3.34Å; T198-S202 PolarHBondContact O-N 3.26Å; T198-S202 PolarHBondContact O-OG 3.29Å
199Q92.3Very high91.2Very high130 Ų13081.3 Ų81.361%0.60744%0.439SS*.Hα-helixtrans-64.2-49177.2-173.817324.300110.4E196 L197 V201 S202 T203E196-Q199 PolarHBondContact O-N 3.13Å; E196-Q199 VanDerWaalsContact O-N 3.13Å; L197-Q199 VanDerWaalsContact C-N 3.35Å; L197-Q199 PolarHBondContact O-N 3.15Å; Q199-V201 PolarHBondContact O-N 2.82Å; Q199-S202 PolarHBondContact O-N 2.71Å; Q199-T203 HydrophobicContact CG-CG2 4.29Å; Q199-T203 WeakPolarHBondContact O-CG2 3.36Å; Q199-T203 PolarHBondContact O-N 3.32Å; Q199-T203 PolarHBondContact O-OG1 3.02Å
200M90.8Very high91.2Very high33 Ų3381.8 Ų81.816%0.16343%0.434CS..Hα-helixtrans-57.5-45.6179.7178.4-155.362.500112L190 C192 E196 L197 M204 C232L190-M200 HydrophobicContact CB-SD 3.78Å; L190-M200 HydrophobicContact CD1-CG 4.34Å; L190-M200 HydrophobicContact CD1-SD 4.04Å; C192-M200 HydrophobicContact CB-CE 4.42Å; C192-M200 HydrophobicContact CB-SD 3.75Å; C192-M200 VanDerWaalsContact SG-CE 3.56Å; C192-M200 VanDerWaalsContact SG-SD 3.63Å; E196-M200 WeakPolarHBondContact O-CB 3.38Å; E196-M200 PolarHBondContact O-N 3.26Å; L197-M200 HydrophobicContact CD1-CE 3.76Å; L197-M200 PolarHBondContact O-N 3.01Å; M200-M204 PolarHBondContact O-N 3.28Å; M200-C232 HydrophobicContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-SG 3.59Å; M200-C232 HydrophobicContact SD-CB 4.13Å
201V90.6Very high91.2Very high59 Ų5983.3 Ų83.336%0.35844%0.439SS..Hα-helixtrans-67.8-40.2177.9176.60000111.4L197 Q199 M204L197-V201 HydrophobicContact CD1-CG2 4.19Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.21Å; Q199-V201 PolarHBondContact O-N 2.82Å; V201-M204 WeakPolarHBondContact O-CB 3.43Å; V201-M204 PolarHBondContact O-N 3.25Å
202S91.5Very high91.4Very high94 Ų9482.7 Ų82.766%0.65744%0.437SS*.Hα-helixtrans-70.8-32.1-178.7-580000113.4T198 Q199T198-S202 VanDerWaalsContact O-CB 3.26Å; T198-S202 WeakPolarHBondContact O-CB 3.34Å; T198-S202 PolarHBondContact O-N 3.26Å; T198-S202 PolarHBondContact O-OG 3.29Å; Q199-S202 PolarHBondContact O-N 2.71Å
203T92.7Very high91.6Very high96 Ų9685.3 Ų85.359%0.58945%0.45SS*.THydrogen-bonded Turntrans-96.811.8178.864.50000112.8Q199 S205Q199-T203 HydrophobicContact CG-CG2 4.29Å; Q199-T203 WeakPolarHBondContact O-CG2 3.36Å; Q199-T203 PolarHBondContact O-N 3.32Å; Q199-T203 PolarHBondContact O-OG1 3.02Å; T203-S205 PolarHBondContact O-N 2.95Å
204M90.9Very high91.8Very high42 Ų4286.1 Ų86.121%0.20746%0.455CS..PPolyproline II helixtrans-57.9134.2177.9-163.2-179.7-57.700109.6M200 V201 W208 V234M200-M204 PolarHBondContact O-N 3.28Å; V201-M204 WeakPolarHBondContact O-CB 3.43Å; V201-M204 PolarHBondContact O-N 3.25Å; M204-W208 HydrophobicContact CG-CB 3.72Å; M204-W208 HydrophobicContact CG-CG 4.47Å; M204-W208 HydrophobicContact SD-CB 3.54Å; M204-W208 VanDerWaalsContact SD-CB 3.54Å; M204-V234 HydrophobicContact CE-CG1 3.43Å; M204-V234 VanDerWaalsContact CE-CG1 3.43Å; M204-V234 HydrophobicContact SD-CB 4.16Å; M204-V234 HydrophobicContact SD-CG1 3.6Å
205S89.7Confident91.8Very high83 Ų8383.9 Ų83.958%0.5845%0.453SS*.PPolyproline II helixtrans-61.8149.2-177.8-50.10000111.1T203 W208T203-S205 PolarHBondContact O-N 2.95Å; S205-W208 PolarHBondContact O-N 2.87Å
206D90.2Very high91.6Very high156 Ų15680.5 Ų80.583%0.83444%0.439SS*.THydrogen-bonded Turntrans-55.8145178.7-172.425.8000112.3W208D206-W208 VanDerWaalsContact C-N 3.28Å; D206-W208 PolarHBondContact O-N 2.92Å
207G90.6Very high90.6Very high37 Ų3778 Ų7838%0.38144%0.439SS..THydrogen-bonded Turntrans79.7-5.7-176.700000115.7R236G207-R236 VanDerWaalsContact O-CG 3.31Å; G207-R236 WeakPolarHBondContact O-CG 3.11Å
208W93.8Very high89.3Confident37 Ų3779.3 Ų79.314%0.1445%0.451CS..  trans-87134.4169.6-68.787.1000110.7V186 R188 M204 S205 D206 V234 S235 R236V186-W208 HydrophobicContact CG1-CH2 4.17Å; R188-W208 HydrophobicContact CB-CH2 4.06Å; R188-W208 HydrophobicContact CB-CZ3 3.81Å; R188-W208 HydrophobicContact CG-CH2 3.39Å; R188-W208 HydrophobicContact CG-CZ2 4.27Å; R188-W208 HydrophobicContact CG-CZ3 3.66Å; R188-W208 VanDerWaalsContact NE-CH2 3.28Å; M204-W208 HydrophobicContact CG-CB 3.72Å; M204-W208 HydrophobicContact CG-CG 4.47Å; M204-W208 HydrophobicContact SD-CB 3.54Å; M204-W208 VanDerWaalsContact SD-CB 3.54Å; S205-W208 PolarHBondContact O-N 2.87Å; D206-W208 VanDerWaalsContact C-N 3.28Å; D206-W208 PolarHBondContact O-N 2.92Å; W208-V234 HydrophobicContact CD2-CG2 4.27Å; W208-V234 HydrophobicContact CE3-CB 3.91Å; W208-V234 HydrophobicContact CE3-CG2 3.42Å; W208-V234 VanDerWaalsContact CE3-CG2 3.42Å; W208-V234 HydrophobicContact CZ3-CG2 3.84Å; W208-S235 CarbonylContact C-O 3.58Å; W208-S235 VanDerWaalsContact CA-O 3.3Å; W208-S235 WeakPolarHBondContact CA-O 3.39Å; W208-R236 HydrophobicContact CD2-CB 4.03Å; W208-R236 HydrophobicContact CE3-CB 3.95Å; W208-R236 HydrophobicContact CH2-CB 4.25Å; W208-R236 HydrophobicContact CZ2-CB 4.37Å; W208-R236 HydrophobicContact CZ3-CB 4.07Å
209K92.8Very high87.6Confident105 Ų10579.4 Ų79.446%0.45746%0.456SS..EExtended strand (participates in β ladder)trans-109137175.4-63.6-178.4180174.80108.7V234 S235 E237K209-V234 CarbonylContact O-C 3.42Å; K209-V234 WeakPolarHBondContact O-CA 3.47Å; K209-V234 WeakPolarHBondContact O-CB 3.32Å; K209-S235 PolarHBondContact N-O 2.66Å; K209-S235 PolarHBondContact O-N 3.2Å; K209-E237 IonicContact NZ-OE1 2.65Å; K209-E237 PolarHBondContact NZ-OE1 2.75Å
210F93.6Very high85.7Confident100 Ų10083.8 Ų83.844%0.43947%0.468SS..EExtended strand (participates in β ladder)trans-71.4130.1168.7173.5-92.8000109.7Q212 L213 C232F210-Q212 VanDerWaalsContact CZ-C 3.44Å; F210-L213 HydrophobicContact CE2-CB 3.88Å; F210-L213 HydrophobicContact CZ-CB 3.63Å; F210-C232 VanDerWaalsContact CD2-SG 3.51Å
211E94.3Very high84Confident92 Ų9287.2 Ų87.243%0.4349%0.487SS..EExtended strand (participates in β ladder)trans-109.1-50.9179.4-66.1-69.1151.500111.6Y187 V233 S235Y187-E211 HydrophobicContact CD1-CG 4.38Å; Y187-E211 HydrophobicContact CE1-CG 4.13Å; E211-V233 HydrophobicContact CB-CB 4.28Å; E211-V233 HydrophobicContact CB-CG1 4.11Å; E211-V233 WeakPolarHBondContact CB-O 3.45Å; E211-V233 PolarHBondContact N-O 2.94Å; E211-S235 VanDerWaalsContact OE1-CB 3.23Å; E211-S235 WeakPolarHBondContact OE1-CB 3.38Å; E211-S235 PolarHBondContact OE1-OG 2.77Å
212Q95.3Very high82.1Confident114 Ų11495.9 Ų95.953%0.53352%0.515SS..EExtended strand (participates in β ladder)trans-156.5143.3-172.9-172.8169.570.300111.7F210 I214 C232 V233F210-Q212 VanDerWaalsContact CZ-C 3.44Å; Q212-I214 HydrophobicContact CG-CG1 4.02Å; Q212-C232 CarbonylContact O-C 3.6Å; Q212-V233 HydrophobicContact CB-CB 4.11Å; Q212-V233 HydrophobicContact CB-CG2 4.21Å; Q212-V233 PolarHBondContact N-O 3.35Å; Q212-V233 PolarHBondContact O-N 2.88Å
213L94.4Very high80.5Confident62 Ų6295 Ų9533%0.32552%0.52SS..EExtended strand (participates in β ladder)trans-114.5129.4169.6-171.273.1000108.8L197 F210 F230 L231 C232L197-L213 HydrophobicContact CD1-CD1 3.59Å; L197-L213 HydrophobicContact CD1-CD2 4.15Å; L197-L213 HydrophobicContact CD2-CD2 3.65Å; F210-L213 HydrophobicContact CE2-CB 3.88Å; F210-L213 HydrophobicContact CZ-CB 3.63Å; L213-F230 HydrophobicContact CD1-CB 3.68Å; L213-F230 HydrophobicContact CD1-CD1 4.14Å; L213-F230 HydrophobicContact CD1-CG 4.17Å; L213-F230 HydrophobicContact CD2-CD1 3.75Å; L213-F230 HydrophobicContact CD2-CE1 4.09Å; L213-F230 HydrophobicContact CD2-CG 4.34Å; L213-F230 HydrophobicContact CG-CB 4.22Å; L213-F230 HydrophobicContact CG-CD1 3.73Å; L213-F230 HydrophobicContact CG-CE1 4.49Å; L213-F230 HydrophobicContact CG-CG 4.27Å; L213-L231 CarbonylContact C-O 3.54Å; L213-L231 WeakPolarHBondContact CA-O 3.42Å; L213-C232 HydrophobicContact CD1-CB 3.98Å
214I93.6Very high78.7Confident69 Ų6996.2 Ų96.235%0.35452%0.524SS..EExtended strand (participates in β ladder)trans-120.8118.4-177.9-52.3171.1000107.3Q212 F230 L231 V233Q212-I214 HydrophobicContact CG-CG1 4.02Å; I214-F230 CarbonylContact O-C 3.49Å; I214-F230 VanDerWaalsContact O-CA 3.29Å; I214-F230 WeakPolarHBondContact O-CA 3.49Å; I214-L231 HydrophobicContact CB-CB 4.26Å; I214-L231 PolarHBondContact N-O 2.88Å; I214-L231 PolarHBondContact O-N 2.77Å; I214-V233 HydrophobicContact CD1-CG2 4.27Å
215S89.7Confident77.1Confident74 Ų74102.5 Ų102.552%0.51755%0.552SS.*EExtended strand (participates in β ladder)trans-75.6128.1172-178.70000109.8
216I84.2Confident75.8Confident75 Ų75103.5 Ų103.539%0.38555%0.551SS.*  trans-104.845.6176.4-31.9170000109.6E229 L231I216-E229 PolarHBondContact N-O 2.86Å; I216-L231 HydrophobicContact CD1-CD1 3.96Å; I216-L231 HydrophobicContact CD1-CD2 3.42Å; I216-L231 VanDerWaalsContact CD1-CD2 3.42Å; I216-L231 HydrophobicContact CD1-CG 3.31Å; I216-L231 HydrophobicContact CG1-CD1 4.31Å; I216-L231 HydrophobicContact CG1-CD2 4.39Å; I216-L231 HydrophobicContact CG1-CG 3.75Å
217G69.9Low74.7Confident45 Ų45100.4 Ų100.446%0.46453%0.532SS..  trans-31.4140.4-168.600000116.3S219G217-S219 PolarHBondContact O-N 3.3Å; G217-S219 VanDerWaalsContact O-N 3.15Å
218S61.9Low74.1Confident58 Ų5899.6 Ų99.641%0.40652%0.522SS..  trans-53.8119.8-175.852.80000111Y220 D226S218-Y220 VanDerWaalsContact C-N 3.34Å; S218-Y220 PolarHBondContact O-N 3.05Å; S218-D226 WeakPolarHBondContact CB-OD1 3.46Å; S218-D226 PolarHBondContact OG-OD1 3.26Å
219S56.9Low73.9Confident107 Ų107101.3 Ų101.375%0.74853%0.531SS*.  trans-7592.2173.5-11.20000107.6G217G217-S219 PolarHBondContact O-N 3.3Å; G217-S219 VanDerWaalsContact O-N 3.15Å
220Y52.7Low73.7Confident222 Ų22297.8 Ų97.887%0.87152%0.516SS*.  trans46.473.9166.1-60.4-83.8000115.9S218S218-Y220 VanDerWaalsContact C-N 3.34Å; S218-Y220 PolarHBondContact O-N 3.05Å
221N55.2Low73.7Confident104 Ų10495.4 Ų95.456%0.55651%0.507SS*.  trans-105.690.1167.6-120.544.8000110.7G223N221-G223 PolarHBondContact O-N 3.39Å; N221-G223 VanDerWaalsContact O-N 3.13Å
222Y50.9Low73.6Confident242 Ų24291 Ų9195%0.94949%0.487SS*.THydrogen-bonded Turntrans-68.2105.3167.6-117.3-96000108.8
223G57.8Low73.7Confident74 Ų7486.9 Ų86.976%0.76347%0.469SS*.THydrogen-bonded Turntrans108.717.4160.300000118.5N221N221-G223 PolarHBondContact O-N 3.39Å; N221-G223 VanDerWaalsContact O-N 3.13Å
224N54.9Low73.7Confident123 Ų12384 Ų8466%0.65845%0.454SS*.SBendtrans-144.5138.6162.1-117.4-47.5000108.1D226N224-D226 PolarHBondContact O-N 3.09Å; N224-D226 VanDerWaalsContact O-N 3.11Å
225E58Low73.8Confident174 Ų17480.7 Ų80.781%0.81344%0.437SS*.  trans-35.8112.8-172.5-66.6170.5129.600111.7Q227E225-Q227 VanDerWaalsContact C-N 3.35Å; E225-Q227 PolarHBondContact O-N 2.67Å
226D61.6Low73.9Confident104 Ų10482.9 Ų82.956%0.55643%0.434SS*.  trans-60.394.1179.2-91.8-53.5000109.2S218 N224 A228S218-D226 WeakPolarHBondContact CB-OD1 3.46Å; S218-D226 PolarHBondContact OG-OD1 3.26Å; N224-D226 PolarHBondContact O-N 3.09Å; N224-D226 VanDerWaalsContact O-N 3.11Å; D226-A228 PolarHBondContact O-N 2.77Å
227Q66.5Low74.2Confident91 Ų9183.4 Ų83.443%0.42544%0.435SS..  trans-80.5106.1170.1-69.4-176.6-5.700107.8E225 E229E225-Q227 VanDerWaalsContact C-N 3.35Å; E225-Q227 PolarHBondContact O-N 2.67Å; Q227-E229 PolarHBondContact O-N 3.42Å
228A79.2Confident74.7Confident20 Ų2085.2 Ų85.217%0.16543%0.434CS..  trans-67.8130.1173.100000109.9E194 D226 F230E194-A228 HydrophobicContact CB-CB 4.22Å; E194-A228 PolarHBondContact N-O 2.99Å; E194-A228 WeakPolarHBondContact OE2-CB 3.18Å; D226-A228 PolarHBondContact O-N 2.77Å; A228-F230 HydrophobicContact CB-CE2 4.1Å; A228-F230 HydrophobicContact CB-CZ 4.5Å
229E87.8Confident75.1Confident73 Ų7388.5 Ų88.534%0.34145%0.447SS..EExtended strand (participates in β ladder)trans-102.9146.5175.9-65.4-169.1165.900111.3Q191 I216 Q227Q191-E229 PolarHBondContact NE2-OE2 2.83Å; I216-E229 PolarHBondContact N-O 2.86Å; Q227-E229 PolarHBondContact O-N 3.42Å
230F90.2Very high75.1Confident30 Ų3088.6 Ų88.613%0.13244%0.439CS..EExtended strand (participates in β ladder)trans-129.8143.8179.1-64.2-90.4000112.1Q191 C192 E194 L213 I214 A228Q191-F230 WeakPolarHBondContact CA-O 3.38Å; C192-F230 PolarHBondContact N-O 2.98Å; C192-F230 PolarHBondContact O-N 2.97Å; E194-F230 HydrophobicContact CB-CD2 4.44Å; E194-F230 HydrophobicContact CB-CE2 3.79Å; E194-F230 HydrophobicContact CG-CE2 3.93Å; L213-F230 HydrophobicContact CD1-CB 3.68Å; L213-F230 HydrophobicContact CD1-CD1 4.14Å; L213-F230 HydrophobicContact CD1-CG 4.17Å; L213-F230 HydrophobicContact CD2-CD1 3.75Å; L213-F230 HydrophobicContact CD2-CE1 4.09Å; L213-F230 HydrophobicContact CD2-CG 4.34Å; L213-F230 HydrophobicContact CG-CB 4.22Å; L213-F230 HydrophobicContact CG-CD1 3.73Å; L213-F230 HydrophobicContact CG-CE1 4.49Å; L213-F230 HydrophobicContact CG-CG 4.27Å; I214-F230 CarbonylContact O-C 3.49Å; I214-F230 VanDerWaalsContact O-CA 3.29Å; I214-F230 WeakPolarHBondContact O-CA 3.49Å; A228-F230 HydrophobicContact CB-CE2 4.1Å; A228-F230 HydrophobicContact CB-CZ 4.5Å
231L93.7Very high75Confident51 Ų5181.5 Ų81.527%0.26742%0.422SS..EExtended strand (participates in β ladder)trans-97.4122.6160.3-56.7179000109.6V189 L190 Q191 L213 I214 I216V189-L231 HydrophobicContact CG1-CB 3.82Å; V189-L231 HydrophobicContact CG1-CD1 4.27Å; V189-L231 HydrophobicContact CG1-CD2 4.12Å; V189-L231 HydrophobicContact CG1-CG 4.27Å; L190-L231 CarbonylContact O-C 3.59Å; L190-L231 WeakPolarHBondContact O-CA 3.09Å; Q191-L231 HydrophobicContact CB-CD2 4.03Å; Q191-L231 HydrophobicContact CG-CD2 4.17Å; L213-L231 CarbonylContact C-O 3.54Å; L213-L231 WeakPolarHBondContact CA-O 3.42Å; I214-L231 HydrophobicContact CB-CB 4.26Å; I214-L231 PolarHBondContact N-O 2.88Å; I214-L231 PolarHBondContact O-N 2.77Å; I216-L231 HydrophobicContact CD1-CD1 3.96Å; I216-L231 HydrophobicContact CD1-CD2 3.42Å; I216-L231 VanDerWaalsContact CD1-CD2 3.42Å; I216-L231 HydrophobicContact CD1-CG 3.31Å; I216-L231 HydrophobicContact CG1-CD1 4.31Å; I216-L231 HydrophobicContact CG1-CD2 4.39Å; I216-L231 HydrophobicContact CG1-CG 3.75Å
232C92.5Very high74.5Confident0 Ų082.4 Ų82.40%043%0.431CS..EExtended strand (participates in β ladder)trans-103.8110.5173.6-179.90000109.4V189 L190 M200 F210 Q212 L213V189-C232 WeakPolarHBondContact CA-O 3.27Å; L190-C232 HydrophobicContact CB-CB 4.35Å; L190-C232 PolarHBondContact N-O 3.06Å; L190-C232 PolarHBondContact O-N 3.43Å; M200-C232 HydrophobicContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-CB 3.44Å; M200-C232 VanDerWaalsContact CE-SG 3.59Å; M200-C232 HydrophobicContact SD-CB 4.13Å; F210-C232 VanDerWaalsContact CD2-SG 3.51Å; Q212-C232 CarbonylContact O-C 3.6Å; L213-C232 HydrophobicContact CD1-CB 3.98Å
233V95.8Very high73.9Confident26 Ų2677.5 Ų77.516%0.15842%0.421CS..EExtended strand (participates in β ladder)trans-83.4125.9172.7-172.10000108.2Y187 R188 V189 E211 Q212 I214Y187-V233 HydrophobicContact CD1-CG1 4.35Å; R188-V233 WeakPolarHBondContact O-CA 3.25Å; V189-V233 HydrophobicContact CG2-CG2 4.35Å; E211-V233 HydrophobicContact CB-CB 4.28Å; E211-V233 HydrophobicContact CB-CG1 4.11Å; E211-V233 WeakPolarHBondContact CB-O 3.45Å; E211-V233 PolarHBondContact N-O 2.94Å; Q212-V233 HydrophobicContact CB-CB 4.11Å; Q212-V233 HydrophobicContact CB-CG2 4.21Å; Q212-V233 PolarHBondContact N-O 3.35Å; Q212-V233 PolarHBondContact O-N 2.88Å; I214-V233 HydrophobicContact CD1-CG2 4.27Å
234V95.5Very high72.7Confident2 Ų278 Ų781%0.01243%0.426CS..EExtended strand (participates in β ladder)trans-127.5145.6178.5-61.30000109.9Y187 R188 L190 M204 W208 K209Y187-V234 CarbonylContact C-O 3.56Å; Y187-V234 VanDerWaalsContact CA-O 3.27Å; Y187-V234 WeakPolarHBondContact CA-O 3.49Å; R188-V234 HydrophobicContact CB-CG2 3.77Å; R188-V234 PolarHBondContact N-O 3.39Å; R188-V234 WeakPolarHBondContact O-CG2 3.39Å; R188-V234 PolarHBondContact O-N 3.42Å; L190-V234 HydrophobicContact CD1-CG1 4.4Å; L190-V234 HydrophobicContact CD1-CG2 4.28Å; L190-V234 HydrophobicContact CG-CG2 4.37Å; M204-V234 HydrophobicContact CE-CG1 3.43Å; M204-V234 VanDerWaalsContact CE-CG1 3.43Å; M204-V234 HydrophobicContact SD-CB 4.16Å; M204-V234 HydrophobicContact SD-CG1 3.6Å; W208-V234 HydrophobicContact CD2-CG2 4.27Å; W208-V234 HydrophobicContact CE3-CB 3.91Å; W208-V234 HydrophobicContact CE3-CG2 3.42Å; W208-V234 VanDerWaalsContact CE3-CG2 3.42Å; W208-V234 HydrophobicContact CZ3-CG2 3.84Å; K209-V234 CarbonylContact O-C 3.42Å; K209-V234 WeakPolarHBondContact O-CA 3.47Å; K209-V234 WeakPolarHBondContact O-CB 3.32Å
235S94.5Very high71.9Confident0 Ų078.8 Ų78.80%043%0.429CS..EExtended strand (participates in β ladder)trans-118.8158.3176.679.90000111.7V186 W208 K209 E211V186-S235 CarbonylContact O-C 3.6Å; V186-S235 VanDerWaalsContact O-CA 3.26Å; V186-S235 WeakPolarHBondContact O-CA 3.26Å; W208-S235 CarbonylContact C-O 3.58Å; W208-S235 VanDerWaalsContact CA-O 3.3Å; W208-S235 WeakPolarHBondContact CA-O 3.39Å; K209-S235 PolarHBondContact N-O 2.66Å; K209-S235 PolarHBondContact O-N 3.2Å; E211-S235 VanDerWaalsContact OE1-CB 3.23Å; E211-S235 WeakPolarHBondContact OE1-CB 3.38Å; E211-S235 PolarHBondContact OE1-OG 2.77Å
236R92.5Very high70.9Confident120 Ų12076.7 Ų76.745%0.45343%0.427SS..EExtended strand (participates in β ladder)trans-141.2129.8167.9175.8166178.5-179.91.9109.5H185 V186 G207 W208 L238H185-R236 CarbonylContact C-O 3.55Å; H185-R236 WeakPolarHBondContact CA-O 3.37Å; V186-R236 PolarHBondContact N-O 3.41Å; V186-R236 PolarHBondContact O-N 2.92Å; G207-R236 VanDerWaalsContact O-CG 3.31Å; G207-R236 WeakPolarHBondContact O-CG 3.11Å; W208-R236 HydrophobicContact CD2-CB 4.03Å; W208-R236 HydrophobicContact CE3-CB 3.95Å; W208-R236 HydrophobicContact CH2-CB 4.25Å; W208-R236 HydrophobicContact CZ2-CB 4.37Å; W208-R236 HydrophobicContact CZ3-CB 4.07Å; R236-L238 PolarHBondContact O-N 2.82Å
237E90Very high70Confident85 Ų8578.8 Ų78.840%0.39744%0.437SS..EExtended strand (participates in β ladder)trans-68.5126172.9-74171.8-142.500110.1V183 H185 K209V183-E237 HydrophobicContact CG2-CG 4.47Å; H185-E237 VanDerWaalsContact NE2-CG 3.29Å; H185-E237 WeakPolarHBondContact NE2-CG 3.45Å; H185-E237 IonicContact NE2-OE1 3.99Å; K209-E237 IonicContact NZ-OE1 2.65Å; K209-E237 PolarHBondContact NZ-OE1 2.75Å
238L81.7Confident68.8Low84 Ų8480.7 Ų80.744%0.4445%0.446SS..EExtended strand (participates in β ladder)trans-85.9108165.8-72.5164.1000107.5K184 V186 R236 N240K184-L238 HydrophobicContact CB-CB 4.09Å; K184-L238 HydrophobicContact CB-CD1 3.98Å; K184-L238 WeakPolarHBondContact O-CB 3.24Å; K184-L238 PolarHBondContact O-N 2.91Å; V186-L238 HydrophobicContact CG2-CD1 3.4Å; V186-L238 HydrophobicContact CG2-CD2 4.09Å; V186-L238 HydrophobicContact CG2-CG 3.68Å; R236-L238 PolarHBondContact O-N 2.82Å; L238-N240 PolarHBondContact O-N 2.78Å
239N69.3Low67Low126 Ų12684.3 Ų84.367%0.67447%0.468SS*.  trans-67.4119.6162.652.4-3000108.1S241N239-S241 PolarHBondContact O-N 2.95Å
240N56.2Low65.1Low110 Ų11084.6 Ų84.659%0.58848%0.478SS*.  trans-74.437.2176.7-152.164.3000111.4L238 T242L238-N240 PolarHBondContact O-N 2.78Å; N240-T242 PolarHBondContact O-N 3.07Å
241S52.3Low63.1Low73 Ų7390.5 Ų90.551%0.5151%0.506SS..  trans-82.256.1177.9-52.90000109.8N239 N243N239-S241 PolarHBondContact O-N 2.95Å; S241-N243 PolarHBondContact O-N 3.46Å
242T43.2Very low60.8Low122 Ų12296.2 Ų96.275%0.74853%0.529SS*.  trans-76.268.5164.3-300000108.1N240N240-T242 PolarHBondContact O-N 3.07Å
243N38.8Very low58.8Low140 Ų14099 Ų9975%0.74955%0.552SS**SBendtrans-149.272160.3-89.8-27.5000107.1S241 I245S241-N243 PolarHBondContact O-N 3.46Å; N243-I245 PolarHBondContact O-N 3.13Å
244G32.2Very low56.8Low83 Ų83104.7 Ų104.786%0.85657%0.574SS**SBendtrans61.917.3132.800000121.1
245I39.3Very low54.9Low140 Ų140108.8 Ų108.872%0.71860%0.595SS**  trans-126.693.2166.8-52.8-179.6000108.8N243 I247N243-I245 PolarHBondContact O-N 3.13Å; I245-I247 HydrophobicContact CG2-CG1 3.72Å; I245-I247 PolarHBondContact O-N 3.06Å
246V36.5Very low53Low130 Ų130115.2 Ų115.279%0.78863%0.629SS**  trans-58.393.7152.5177.90000105.5E248V246-E248 HydrophobicContact CG1-CB 4.21Å; V246-E248 HydrophobicContact CG1-CG 3.9Å; V246-E248 PolarHBondContact O-N 3.45Å
247I43Very low51.3Low148 Ų148116.9 Ų116.976%0.75964%0.642SS**  trans-72.380.8156.9-56.7179.3000103.7I245I245-I247 HydrophobicContact CG2-CG1 3.72Å; I245-I247 PolarHBondContact O-N 3.06Å
248E40.2Very low49.8Very low132 Ų132119.6 Ų119.662%0.61766%0.655SS**  trans-54.5134160.5-110.6-143.5127.300106V246 S250V246-E248 HydrophobicContact CG1-CB 4.21Å; V246-E248 HydrophobicContact CG1-CG 3.9Å; V246-E248 PolarHBondContact O-N 3.45Å; E248-S250 PolarHBondContact O-N 3.15Å
249P41.9Very low48.6Very low96 Ų96124.8 Ų124.862%0.62367%0.668SS**  trans-56.4110.7172.222.7-29.1000106.6E251P249-E251 PolarHBondContact O-N 2.95Å
250S47.2Very low47.7Very low78 Ų78121.8 Ų121.855%0.54567%0.667SS.*  trans-38.2130.9-176.8-178.50000110E248 K252 A253E248-S250 PolarHBondContact O-N 3.15Å; S250-K252 PolarHBondContact O-N 2.89Å; S250-A253 PolarHBondContact O-N 2.98Å
251E49.1Very low47.8Very low154 Ų154121.5 Ų121.572%0.7267%0.674SS**Hα-helixtrans-45.4-21178.7-74.3174.6124.800113.7P249 A253 K254 I255P249-E251 PolarHBondContact O-N 2.95Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.08Å; E251-K254 PolarHBondContact O-N 3.05Å; E251-I255 WeakPolarHBondContact O-CG1 3.29Å; E251-I255 PolarHBondContact O-N 2.92Å
252K45.1Very low47.9Very low172 Ų172128.9 Ų128.975%0.74869%0.69SS**Hα-helixtrans-61.9-29.1171.5-67.9-170.3175.9-175.50114.9S250S250-K252 PolarHBondContact O-N 2.89Å
253A51.3Low47.9Very low59 Ų59134.8 Ų134.849%0.48871%0.713SS.*Hα-helixtrans-76.5-36.9174.900000112S250 E251 L256 Q257S250-A253 PolarHBondContact O-N 2.98Å; E251-A253 VanDerWaalsContact C-N 3.33Å; E251-A253 PolarHBondContact O-N 3.08Å; A253-L256 PolarHBondContact O-N 2.83Å; A253-Q257 PolarHBondContact O-N 2.62Å
254K53.1Low48.3Very low144 Ų144134.6 Ų134.663%0.62671%0.711SS**Hα-helixtrans-65.5-39.9176.4-112.1179.4176.1179.10112.5E251 L256 Q257 E258E251-K254 PolarHBondContact O-N 3.05Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.74Å; K254-Q257 PolarHBondContact O-N 3.43Å; K254-E258 PolarHBondContact O-N 2.91Å
255I56.2Low49.2Very low88 Ų88137.3 Ų137.345%0.45170%0.703SS.*Hα-helixtrans-68.5-26.9179.6-65.6167.1000112.3E251 R259E251-I255 WeakPolarHBondContact O-CG1 3.29Å; E251-I255 PolarHBondContact O-N 2.92Å; I255-R259 WeakPolarHBondContact O-CG 3.28Å; I255-R259 PolarHBondContact O-N 3.21Å
256L53.1Low49.7Very low135 Ų135137.1 Ų137.171%0.70770%0.702SS**Hα-helixtrans-78.9-32.4178.4-153.574.6000112.1A253 K254 G260A253-L256 PolarHBondContact O-N 2.83Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.74Å; L256-G260 PolarHBondContact O-N 2.94Å
257Q58.6Low50.5Low155 Ų155137.5 Ų137.572%0.72470%0.697SS**Hα-helixtrans-74.9-36.6178.6-151.8170.217.600112.1A253 K254 R259 G260A253-Q257 PolarHBondContact O-N 2.62Å; K254-Q257 PolarHBondContact O-N 3.43Å; Q257-R259 VanDerWaalsContact C-N 3.31Å; Q257-R259 PolarHBondContact O-N 2.97Å; Q257-G260 PolarHBondContact O-N 3Å
258E57.1Low51Low143 Ų143136.9 Ų136.967%0.66869%0.693SS**Hα-helixtrans-70.6-24.3174.8-75.2-174.3159.700113.7K254K254-E258 PolarHBondContact O-N 2.91Å
259R56.6Low51.7Low192 Ų192137.2 Ų137.273%0.72570%0.699SS**Hα-helixtrans-85.5-23.3176.3-72.8179.3123.398.4-0.5113.6I255 Q257I255-R259 WeakPolarHBondContact O-CG 3.28Å; I255-R259 PolarHBondContact O-N 3.21Å; Q257-R259 VanDerWaalsContact C-N 3.31Å; Q257-R259 PolarHBondContact O-N 2.97Å
260G51.3Low52.4Low63 Ų63140.1 Ų140.165%0.64970%0.704SS**Hα-helixtrans-80.1-16.1175.600000114.3L256 Q257L256-G260 PolarHBondContact O-N 2.94Å; Q257-G260 PolarHBondContact O-N 3Å
261S57.3Low52.8Low104 Ų104144.9 Ų144.973%0.72772%0.716SS**THydrogen-bonded Turntrans-101.18.7-174.6-147.80000114.5
262R54.6Low53.1Low229 Ų229144.2 Ų144.286%0.86472%0.716SS**  trans-114.526.4178.5-72.5-169.5177.3-1721.4113.7
263M42.6Very low53.8Low246 Ų246141.6 Ų141.6100%1.21271%0.713SS**  trans-121.40169.2-78.4178.717300110.3

Retrieved 263 of 263 residues in 68.6 ms (Link to these results)