A0A077ZBM5_TRITR Loading...

Zf-RING 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBM5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.8Very low42.5Very low243 Ų243155.4 Ų155.4100%1.19788%0.877SS**  0112.90-73.8179.7175.900108
2R38.3Very low42.5Very low251 Ų251155 Ų15595%0.94787%0.871SS**  trans57.392.1168.8-64-177.6178145.10.2118.8
3A45.3Very low42.5Very low102 Ų102155.8 Ų155.884%0.84386%0.86SS**  trans173.577.5141.700000111.1
4C41.8Very low42.3Very low135 Ų135153 Ų15391%0.91285%0.849SS**  trans-169.141.8149.5-127.80000111
5E46.6Very low42.2Very low187 Ų187152.9 Ų152.987%0.87485%0.845SS**  trans-86.1105.4158.5-77.7169.9143.200105.5
6L43.1Very low42.1Very low163 Ų163152.8 Ų152.885%0.85384%0.836SS**  trans179.7123.7154-94174.9000106.9
7L45.7Very low42.2Very low166 Ų166151.1 Ų151.187%0.86983%0.826SS**SBendtrans110.71.7164.9-60.7156.1000119.5S9L7-S9 PolarHBondContact O-N 3.39Å
8T43.7Very low42.3Very low138 Ų138153.7 Ų153.785%0.84783%0.831SS**  trans-98.861.4166.362.70000111.4
9S42.4Very low42.4Very low117 Ų117151.3 Ų151.382%0.81882%0.822SS**  trans-12181.4170.361.20000109.2L7L7-S9 PolarHBondContact O-N 3.39Å
10G41Very low42.6Very low79 Ų79147.6 Ų147.681%0.81481%0.813SS**  trans166.844.6-178.300000110.9D12G10-D12 PolarHBondContact O-N 3.34Å
11L37.9Very low42.5Very low128 Ų128145 Ų14567%0.6780%0.801SS**  trans-90.296.7-175.2-150.982.2000108.8K13L11-K13 HydrophobicContact CD2-CD 4.07Å; L11-K13 VanDerWaalsContact CD2-CE 3.43Å; L11-K13 HydrophobicContact CD2-CG 3.5Å; L11-K13 VanDerWaalsContact CD2-CG 3.5Å; L11-K13 HydrophobicContact CG-CG 3.84Å
12D43Very low42.5Very low151 Ų151139 Ų13981%0.80778%0.778SS**  trans-85.3123149.6-160.5-4.7000107.6G10 T14G10-D12 PolarHBondContact O-N 3.34Å; D12-T14 PolarHBondContact O-N 2.85Å
13K41.4Very low42.7Very low166 Ų166132.7 Ų132.772%0.72276%0.761SS**  trans-10172.8-165.1-70.5177.3179.5173.30109.9L11L11-K13 HydrophobicContact CD2-CD 4.07Å; L11-K13 VanDerWaalsContact CD2-CE 3.43Å; L11-K13 HydrophobicContact CD2-CG 3.5Å; L11-K13 VanDerWaalsContact CD2-CG 3.5Å; L11-K13 HydrophobicContact CG-CG 3.84Å
14T39.8Very low42.6Very low116 Ų116134.5 Ų134.571%0.71275%0.754SS**  trans-159.8140163.9440000109.5D12D12-T14 PolarHBondContact O-N 2.85Å
15L41.7Very low43.2Very low152 Ų152135.6 Ų135.680%0.79675%0.751SS**  trans92.797160.2-121.771.5000117.4
16H40.3Very low43.4Very low150 Ų150130.1 Ų130.169%0.69474%0.744SS**  65.4116.8127.9-82.5-93.4000120.3
17D44.2Very low43.6Very low125 Ų125128.2 Ų128.267%0.66873%0.734SS**  trans72.3108.5134.1-57.2-23.1000118.8V19D17-V19 PolarHBondContact O-N 2.95Å
18H42.6Very low43.7Very low198 Ų198125.7 Ų125.792%0.91773%0.725SS**  trans-62.665.6169.7-68.9-78.7000113.4
19V45.2Very low43.7Very low108 Ų108126.3 Ų126.366%0.65572%0.718SS**  trans-123.593.3169.5-169.80000109.4D17 V21D17-V19 PolarHBondContact O-N 2.95Å; V19-V21 HydrophobicContact CG1-CG2 3.78Å; V19-V21 PolarHBondContact O-N 2.81Å
20A45.9Very low44Very low77 Ų77126.7 Ų126.764%0.63672%0.718SS**  trans-79.9103.4163.500000108.3
21V41.2Very low44.1Very low94 Ų94131.8 Ų131.857%0.5772%0.718SS**  trans-84.5109.2170-177.40000107.8V19 I23V19-V21 HydrophobicContact CG1-CG2 3.78Å; V19-V21 PolarHBondContact O-N 2.81Å; V21-I23 HydrophobicContact CG1-CG1 3.94Å
22V41.9Very low44.6Very low117 Ų117133.6 Ų133.671%0.70973%0.725SS**  trans-98.1111.1168.2-179.60000107.6M24V22-M24 HydrophobicContact CG1-CG 3.97Å
23I42.2Very low44.8Very low117 Ų117131.1 Ų131.160%0.673%0.726SS**  trans-87.9111.2175.3-54.7175.7000107.4V21V21-I23 HydrophobicContact CG1-CG1 3.94Å
24M43.5Very low45.1Very low140 Ų140126 Ų12669%0.6972%0.719SS**  trans-126.5128.2165.6-64.5-72.7-87.500107.6V22 G26V22-M24 HydrophobicContact CG1-CG 3.97Å; M24-G26 PolarHBondContact O-N 3.24Å
25D54.6Low45.2Very low159 Ų159125.7 Ų125.785%0.8572%0.721SS**THydrogen-bonded Turntrans59.930.6175.1-56.3-35000118.2I27D25-I27 VanDerWaalsContact C-N 3.29Å; D25-I27 PolarHBondContact O-N 2.86Å
26G50.2Low45.8Very low71 Ų71125.8 Ų125.873%0.73273%0.728SS**THydrogen-bonded Turntrans74.811.2165.900000115.9M24M24-G26 PolarHBondContact O-N 3.24Å
27I47.9Very low46.1Very low123 Ų123121.7 Ų121.763%0.63172%0.716SS**  trans-114.5109.8175-57.9174000108.3D25 Q29D25-I27 VanDerWaalsContact C-N 3.29Å; D25-I27 PolarHBondContact O-N 2.86Å; I27-Q29 HydrophobicContact CG2-CG 3.8Å; I27-Q29 PolarHBondContact O-N 2.66Å; I27-Q29 VanDerWaalsContact O-N 3.14Å
28V47.8Very low46.4Very low114 Ų114121.3 Ų121.369%0.69172%0.72SS**  trans-77.296174.5-175.60000108.1
29Q42.3Very low47.1Very low150 Ų150120.9 Ų120.970%0.70171%0.712SS**  trans-102.1126.5166.7-64.2-147.8-8700109.7I27 F31I27-Q29 HydrophobicContact CG2-CG 3.8Å; I27-Q29 PolarHBondContact O-N 2.66Å; I27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-F31 PolarHBondContact O-N 2.85Å
30P49.5Very low47.4Very low126 Ų126123.4 Ų123.482%0.81872%0.722SS**  trans-69.8101.2173.928.3-31.4000108.9M32P30-M32 PolarHBondContact O-N 2.72Å
31F43.9Very low47.6Very low186 Ų186127.8 Ų127.882%0.81673%0.729SS**  trans-82111.3168-129.7-92000108Q29 A33Q29-F31 PolarHBondContact O-N 2.85Å; F31-A33 PolarHBondContact O-N 3.44Å; F31-A33 VanDerWaalsContact O-N 3.12Å
32M47.2Very low48.3Very low166 Ų166128.6 Ų128.682%0.81873%0.734SS**  trans-62.9111166-75.4-99.7-97.700107.4P30 G34P30-M32 PolarHBondContact O-N 2.72Å; M32-G34 PolarHBondContact O-N 3.02Å
33A47.8Very low48.9Very low99 Ų99125.4 Ų125.482%0.81872%0.716SS**  trans-66.885.9172.600000109F31F31-A33 PolarHBondContact O-N 3.44Å; F31-A33 VanDerWaalsContact O-N 3.12Å
34G47.5Very low49.4Very low57 Ų57125.2 Ų125.259%0.58872%0.715SS**  trans-137.8102.7-179.200000111.2M32M32-G34 PolarHBondContact O-N 3.02Å
35C42.8Very low49.9Very low111 Ų111128.1 Ų128.175%0.7572%0.719SS**  trans65.779.1155.4-52.20000117.8S37C35-S37 PolarHBondContact O-N 3.46Å; C35-S37 VanDerWaalsContact O-N 3.16Å
36V53.7Low49.9Very low153 Ų153123.2 Ų123.293%0.92770%0.697SS**  trans-73.496.2149.1174.90000107.5
37S46.9Very low50.2Low64 Ų64123.2 Ų123.245%0.44869%0.685SS.*  trans-93.6133.6163179.70000108.9C35 Y39C35-S37 PolarHBondContact O-N 3.46Å; C35-S37 VanDerWaalsContact O-N 3.16Å; S37-Y39 PolarHBondContact O-N 3.16Å; S37-Y39 VanDerWaalsContact O-N 3.13Å
38P50.8Low50.6Low117 Ų117122.9 Ų122.976%0.7668%0.683SS**SBendtrans-75.37.3-178.121.4-18.2000114.6
39Y55.5Low51.1Low189 Ų189122.5 Ų122.574%0.74168%0.678SS**SBendtrans-114.9102175.9-76.3-87.1000111.3S37 Q41S37-Y39 PolarHBondContact O-N 3.16Å; S37-Y39 VanDerWaalsContact O-N 3.13Å; Y39-Q41 VanDerWaalsContact C-N 3.29Å; Y39-Q41 PolarHBondContact O-N 3.26Å
40N51.6Low51.7Low161 Ų161120.1 Ų120.186%0.86167%0.669SS**THydrogen-bonded Turntrans-72.235.1-160.4-162.329.2000117.1
41Q51.5Low52Low170 Ų170119.8 Ų119.879%0.79466%0.66SS**THydrogen-bonded Turntrans-140.2-8.5-180-76-171.6-8.400117.1Y39Y39-Q41 VanDerWaalsContact C-N 3.29Å; Y39-Q41 PolarHBondContact O-N 3.26Å
42V54.9Low52.7Low111 Ų111114.1 Ų114.167%0.67364%0.643SS**SBendtrans-106.7-17.3-169.2-163.30000114.4S46V42-S46 PolarHBondContact O-OG 3.28Å; V42-S46 VanDerWaalsContact O-OG 3.13Å
43C54.1Low53.3Low49 Ų49110.2 Ų110.233%0.33163%0.632SS.*Hα-helixtrans-84.9-17-174.7-640000115S46 C47C43-S46 WeakPolarHBondContact CA-OG 3.4Å; C43-S46 PolarHBondContact O-OG 3.27Å; C43-C47 WeakPolarHBondContact O-CB 3.37Å; C43-C47 PolarHBondContact O-N 3.43Å
44I54.3Low53.7Low114 Ų114108.8 Ų108.859%0.58562%0.616SS**Hα-helixtrans-69.5-37.9-179.3-70.6167.5000111L48I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 VanDerWaalsContact O-CD1 3.22Å; I44-L48 WeakPolarHBondContact O-CD1 3.14Å; I44-L48 PolarHBondContact O-N 2.6Å
45W53.8Low54Low201 Ų201110.1 Ų110.176%0.76161%0.613SS**Hα-helixtrans-71-41-179.7-72.662.9000111.5C47 L48 D49W45-C47 PolarHBondContact O-N 3.24Å; W45-L48 PolarHBondContact O-N 2.66Å; W45-D49 PolarHBondContact O-N 3.4Å
46S54Low54.5Low55 Ų55110.5 Ų110.539%0.38560%0.602SS.*Hα-helixtrans-68.4-33.517720.80000112.5V42 C43 D49 I50V42-S46 PolarHBondContact O-OG 3.28Å; V42-S46 VanDerWaalsContact O-OG 3.13Å; C43-S46 WeakPolarHBondContact CA-OG 3.4Å; C43-S46 PolarHBondContact O-OG 3.27Å; S46-D49 PolarHBondContact O-N 3.12Å; S46-I50 WeakPolarHBondContact O-CB 3.3Å; S46-I50 VanDerWaalsContact O-CD1 3.3Å; S46-I50 WeakPolarHBondContact O-CD1 3.45Å; S46-I50 WeakPolarHBondContact O-CG1 3.35Å; S46-I50 PolarHBondContact O-N 3.38Å
47C55.9Low54.8Low71 Ų71108.1 Ų108.148%0.4858%0.584SS.*Hα-helixtrans-71.8-34.3172.8-78.30000113.3C43 W45 I50 L51C43-C47 WeakPolarHBondContact O-CB 3.37Å; C43-C47 PolarHBondContact O-N 3.43Å; W45-C47 PolarHBondContact O-N 3.24Å; C47-I50 PolarHBondContact O-N 2.72Å; C47-L51 WeakPolarHBondContact O-CD1 3.3Å; C47-L51 PolarHBondContact O-N 3.42Å
48L57.7Low55.6Low116 Ų116114.1 Ų114.161%0.60760%0.602SS**Hα-helixtrans-66.3-38.2171.5-97.795.9000111.7I44 W45 S52I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 VanDerWaalsContact O-CD1 3.22Å; I44-L48 WeakPolarHBondContact O-CD1 3.14Å; I44-L48 PolarHBondContact O-N 2.6Å; W45-L48 PolarHBondContact O-N 2.66Å; L48-S52 WeakPolarHBondContact O-CB 3.12Å; L48-S52 PolarHBondContact O-N 2.85Å
49D56.9Low56.7Low107 Ų107110.3 Ų110.357%0.57258%0.584SS**Hα-helixtrans-70-33.1176.5-69.5-34.9000112.4W45 S46 S52 S53W45-D49 PolarHBondContact O-N 3.4Å; S46-D49 PolarHBondContact O-N 3.12Å; D49-S52 PolarHBondContact O-N 3.4Å; D49-S53 WeakPolarHBondContact O-CB 3.5Å; D49-S53 PolarHBondContact O-N 2.87Å
50I56.1Low57.8Low100 Ų100105.8 Ų105.851%0.51357%0.571SS.*Hα-helixtrans-73.1-39.9175.4-68162.3000111.4S46 C47 S52 S53 S54S46-I50 WeakPolarHBondContact O-CB 3.3Å; S46-I50 VanDerWaalsContact O-CD1 3.3Å; S46-I50 WeakPolarHBondContact O-CD1 3.45Å; S46-I50 WeakPolarHBondContact O-CG1 3.35Å; S46-I50 PolarHBondContact O-N 3.38Å; C47-I50 PolarHBondContact O-N 2.72Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S53 PolarHBondContact O-N 3.48Å; I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 2.8Å; I50-S54 VanDerWaalsContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 3.19Å
51L55.4Low59.1Low119 Ų119102.3 Ų102.362%0.62355%0.552SS**Hα-helixtrans-67.4-36.2170.9-97.979.3000111.7C47 S53 V55C47-L51 WeakPolarHBondContact O-CD1 3.3Å; C47-L51 PolarHBondContact O-N 3.42Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.89Å
52S59.2Low60.7Low66 Ų6697.5 Ų97.546%0.46254%0.536SS..Hα-helixtrans-77.3-15.5178.7-166.70000113.7L48 D49 I50 F56L48-S52 WeakPolarHBondContact O-CB 3.12Å; L48-S52 PolarHBondContact O-N 2.85Å; D49-S52 PolarHBondContact O-N 3.4Å; I50-S52 VanDerWaalsContact C-N 3.34Å; S52-F56 WeakPolarHBondContact O-CB 3.22Å; S52-F56 WeakPolarHBondContact O-CD2 3.44Å; S52-F56 WeakPolarHBondContact O-CG 3.27Å
53S58.4Low62.1Low84 Ų8494.8 Ų94.859%0.58753%0.525SS*.Hα-helixtrans-97.8-25.8173.6-167.30000113.1D49 I50 L51D49-S53 WeakPolarHBondContact O-CB 3.5Å; D49-S53 PolarHBondContact O-N 2.87Å; I50-S53 PolarHBondContact O-N 3.48Å; L51-S53 VanDerWaalsContact C-N 3.34Å
54S56.3Low63.7Low70 Ų7096.8 Ų96.849%0.4953%0.532SS..Hα-helixtrans-89.2-28.4-176.654.60000114.3I50 F56I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 2.8Å; I50-S54 VanDerWaalsContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 3.19Å; S54-F56 VanDerWaalsContact C-N 3.34Å
55V55.3Low65.4Low85 Ų8596.6 Ų96.652%0.51553%0.53SS..THydrogen-bonded Turntrans-83.3-17.1172.9-174.10000111.6L51L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.89Å
56F52.9Low67.1Low118 Ų11891.8 Ų91.852%0.51852%0.518SS..THydrogen-bonded Turntrans-95.414.8177.3-74-97.8000113.7S52 S54 K58 L61S52-F56 WeakPolarHBondContact O-CB 3.22Å; S52-F56 WeakPolarHBondContact O-CD2 3.44Å; S52-F56 WeakPolarHBondContact O-CG 3.27Å; S54-F56 VanDerWaalsContact C-N 3.34Å; F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 3.12Å; F56-L61 HydrophobicContact CD1-CD2 4.05Å; F56-L61 HydrophobicContact CE1-CD2 3.78Å
57D59.2Low68.8Low103 Ų10393.4 Ų93.455%0.55152%0.522SS*.SBendtrans-7287.5176.2-130.3-38.3000110.9G59D57-G59 PolarHBondContact O-N 3.22Å
58K63.6Low70.6Confident191 Ų19194.5 Ų94.583%0.8352%0.523SS*.THydrogen-bonded Turntrans47.72.9154.5-61.9-177.1-174.7117.10121.1F56F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 3.12Å
59G73.2Confident72.3Confident37 Ų3795.8 Ų95.838%0.38152%0.524SS..THydrogen-bonded Turntrans-140.7-36-179.800000115.5D57 P62 A63D57-G59 PolarHBondContact O-N 3.22Å; G59-P62 WeakPolarHBondContact O-CD 3.3Å; G59-P62 WeakPolarHBondContact O-CG 3.49Å; G59-A63 WeakPolarHBondContact O-CB 3.15Å; G59-A63 PolarHBondContact O-N 3.03Å; G59-A63 VanDerWaalsContact O-N 3.07Å
60I79.8Confident74Confident94 Ų9496.5 Ų96.548%0.48252%0.522SS..Hα-helixtrans-73.3-49.6-168.5-58.7172.4000111.9A63 L64I60-A63 PolarHBondContact O-N 2.89Å; I60-L64 HydrophobicContact CG2-CD1 4.1Å; I60-L64 HydrophobicContact CG2-CG 4.37Å; I60-L64 WeakPolarHBondContact O-CG 3.4Å; I60-L64 PolarHBondContact O-N 2.91Å
61L78.4Confident75.8Confident88 Ų8895.4 Ų95.446%0.46152%0.516SS..Hα-helixtrans-61.1-48.8179.1-166.174.7000113.3F56 A63 L64 M65F56-L61 HydrophobicContact CD1-CD2 4.05Å; F56-L61 HydrophobicContact CE1-CD2 3.78Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 3.05Å; L61-L64 PolarHBondContact O-N 3.33Å; L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 WeakPolarHBondContact O-CG 3.43Å; L61-M65 PolarHBondContact O-N 2.87Å
62P84.6Confident77.5Confident68 Ų6893.1 Ų93.144%0.44251%0.507SS..Hα-helixtrans-64.3-34.1175.524.2-32.4000112.2G59 M65 L66G59-P62 WeakPolarHBondContact O-CD 3.3Å; G59-P62 WeakPolarHBondContact O-CG 3.49Å; P62-M65 PolarHBondContact O-N 2.77Å; P62-L66 WeakPolarHBondContact O-CB 3.26Å; P62-L66 VanDerWaalsContact O-CG 3.24Å; P62-L66 WeakPolarHBondContact O-CG 3.4Å; P62-L66 PolarHBondContact O-N 3.45Å
63A85.9Confident79Confident54 Ų5492.8 Ų92.845%0.44650%0.504SS..Hα-helixtrans-64.1-43.7174.200000112.3G59 I60 L61 L66 L67G59-A63 WeakPolarHBondContact O-CB 3.15Å; G59-A63 PolarHBondContact O-N 3.03Å; G59-A63 VanDerWaalsContact O-N 3.07Å; I60-A63 PolarHBondContact O-N 2.89Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 3.05Å; A63-L66 PolarHBondContact O-N 3.28Å; A63-L67 VanDerWaalsContact O-CB 3.23Å; A63-L67 WeakPolarHBondContact O-CB 3.24Å; A63-L67 PolarHBondContact O-N 2.76Å
64L87.7Confident80.7Confident91 Ų9193.5 Ų93.548%0.47650%0.5SS..Hα-helixtrans-65.1-40.8174.7-71.4177.5000111.8I60 L61 L67 L68I60-L64 HydrophobicContact CG2-CD1 4.1Å; I60-L64 HydrophobicContact CG2-CG 4.37Å; I60-L64 WeakPolarHBondContact O-CG 3.4Å; I60-L64 PolarHBondContact O-N 2.91Å; L61-L64 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 2.76Å
65M88.8Confident82.3Confident111 Ų11196 Ų9655%0.54750%0.504SS..Hα-helixtrans-63.8-43.2176.4-76.4-55.2-44.500112.3L61 P62 L68 F69L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 WeakPolarHBondContact O-CG 3.43Å; L61-M65 PolarHBondContact O-N 2.87Å; P62-M65 PolarHBondContact O-N 2.77Å; M65-L68 PolarHBondContact O-N 3.04Å; M65-F69 WeakPolarHBondContact O-CB 3.26Å; M65-F69 PolarHBondContact O-N 3.09Å
66L89.7Confident84.1Confident99 Ų9997.1 Ų97.152%0.51851%0.507SS..Hα-helixtrans-64.1-42.9174-70.6173.3000110.9P62 A63 L68 F69 F70P62-L66 WeakPolarHBondContact O-CB 3.26Å; P62-L66 VanDerWaalsContact O-CG 3.24Å; P62-L66 WeakPolarHBondContact O-CG 3.4Å; P62-L66 PolarHBondContact O-N 3.45Å; A63-L66 PolarHBondContact O-N 3.28Å; L66-L68 PolarHBondContact O-N 2.94Å; L66-F69 PolarHBondContact O-N 3.05Å; L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.42Å; L66-F70 HydrophobicContact CD2-CE2 4.15Å; L66-F70 WeakPolarHBondContact O-CD2 3.26Å; L66-F70 PolarHBondContact O-N 3.35Å
67L90.5Very high85.9Confident89 Ų8997.1 Ų97.147%0.46651%0.508SS..Hα-helixtrans-60.1-45.5177.4-175.4145000111.5A63 L64 F70 I71A63-L67 VanDerWaalsContact O-CB 3.23Å; A63-L67 WeakPolarHBondContact O-CB 3.24Å; A63-L67 PolarHBondContact O-N 2.76Å; L64-L67 PolarHBondContact O-N 3.17Å; L67-F70 PolarHBondContact O-N 2.98Å; L67-I71 HydrophobicContact CD1-CD1 4.17Å; L67-I71 HydrophobicContact CD2-CD1 3.5Å; L67-I71 HydrophobicContact CD2-CG1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.5Å; L67-I71 VanDerWaalsContact CG-CD1 3.5Å; L67-I71 HydrophobicContact CG-CG1 4.22Å; L67-I71 WeakPolarHBondContact O-CB 3.49Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 2.83Å
68L92.7Very high87.5Confident95 Ų9596 Ų9650%0.49751%0.505SS..Hα-helixtrans-66.3-40.3174.6-67.5175.9000111.9L64 M65 L66 F70 V72L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 2.76Å; M65-L68 PolarHBondContact O-N 3.04Å; L66-L68 PolarHBondContact O-N 2.94Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 2.78Å; L68-V72 HydrophobicContact CD2-CG2 4.35Å; L68-V72 VanDerWaalsContact O-CB 3.23Å; L68-V72 WeakPolarHBondContact O-CB 3.35Å; L68-V72 VanDerWaalsContact O-CG2 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.28Å; L68-V72 PolarHBondContact O-N 3.19Å
69F93.6Very high89Confident143 Ų14393.9 Ų93.963%0.62750%0.495SS*.Hα-helixtrans-64.1-31.3178.8-174.7-96.6000113.2M65 L66 P73M65-F69 WeakPolarHBondContact O-CB 3.26Å; M65-F69 PolarHBondContact O-N 3.09Å; L66-F69 PolarHBondContact O-N 3.05Å; F69-P73 WeakPolarHBondContact O-CD 3.47Å; F69-P73 WeakPolarHBondContact O-CG 3.48Å
70F93Very high89.7Confident121 Ų12193.9 Ų93.953%0.53149%0.492SS..Hα-helixtrans-91.7-45.6175.7-70.2-69000112.7L66 L67 L68 I74L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.42Å; L66-F70 HydrophobicContact CD2-CE2 4.15Å; L66-F70 WeakPolarHBondContact O-CD2 3.26Å; L66-F70 PolarHBondContact O-N 3.35Å; L67-F70 PolarHBondContact O-N 2.98Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 2.78Å; F70-I74 WeakPolarHBondContact O-CB 3.41Å; F70-I74 WeakPolarHBondContact O-CD1 3.03Å; F70-I74 WeakPolarHBondContact O-CG1 3.49Å; F70-I74 PolarHBondContact O-N 2.81Å
71I92.8Very high90.2Very high77 Ų7795.2 Ų95.240%0.39550%0.496SS..Hα-helixtrans-68.5-45-174.8-65.7-175.7000111.5L67 I74 E75L67-I71 HydrophobicContact CD1-CD1 4.17Å; L67-I71 HydrophobicContact CD2-CD1 3.5Å; L67-I71 HydrophobicContact CD2-CG1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.5Å; L67-I71 VanDerWaalsContact CG-CD1 3.5Å; L67-I71 HydrophobicContact CG-CG1 4.22Å; L67-I71 WeakPolarHBondContact O-CB 3.49Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 2.83Å; I71-I74 PolarHBondContact O-N 3.44Å; I71-E75 HydrophobicContact CG2-CG 4.03Å; I71-E75 WeakPolarHBondContact O-CG 3.4Å; I71-E75 PolarHBondContact O-N 3.01Å
72V92.5Very high90.8Very high71 Ų7196 Ų9643%0.4350%0.501SS..Hα-helixtrans-62.1-49.5-175.4174.70000111.1L68 I74 E75 L76L68-V72 HydrophobicContact CD2-CG2 4.35Å; L68-V72 VanDerWaalsContact O-CB 3.23Å; L68-V72 WeakPolarHBondContact O-CB 3.35Å; L68-V72 VanDerWaalsContact O-CG2 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.28Å; L68-V72 PolarHBondContact O-N 3.19Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 3.05Å; V72-E75 PolarHBondContact O-N 2.87Å; V72-L76 HydrophobicContact CG1-CD1 3.5Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 VanDerWaalsContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CD1 3.5Å; V72-L76 PolarHBondContact O-N 3.47Å
73P90.9Very high90.8Very high60 Ų6098.2 Ų98.239%0.3950%0.501SS..Hα-helixtrans-60.9-38.5174.1-27.138.7000113.3F69 L76 Q77F69-P73 WeakPolarHBondContact O-CD 3.47Å; F69-P73 WeakPolarHBondContact O-CG 3.48Å; P73-L76 PolarHBondContact O-N 2.98Å; P73-Q77 WeakPolarHBondContact O-CB 3.43Å; P73-Q77 VanDerWaalsContact O-CG 3.22Å; P73-Q77 WeakPolarHBondContact O-CG 3.46Å; P73-Q77 PolarHBondContact O-N 2.93Å
74I93Very high90.6Very high99 Ų99103.9 Ų103.951%0.50851%0.51SS..Hα-helixtrans-61.9-48.4177.4-69.4166.4000110.4F70 I71 V72 L76 Q77 V78F70-I74 WeakPolarHBondContact O-CB 3.41Å; F70-I74 WeakPolarHBondContact O-CD1 3.03Å; F70-I74 WeakPolarHBondContact O-CG1 3.49Å; F70-I74 PolarHBondContact O-N 2.81Å; I71-I74 PolarHBondContact O-N 3.44Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 3.05Å; I74-L76 VanDerWaalsContact C-N 3.33Å; I74-L76 PolarHBondContact O-N 2.94Å; I74-Q77 PolarHBondContact O-N 3.24Å; I74-V78 HydrophobicContact CG2-CG2 4.17Å; I74-V78 WeakPolarHBondContact O-CB 3.3Å; I74-V78 VanDerWaalsContact O-CG2 3.26Å; I74-V78 WeakPolarHBondContact O-CG2 3.3Å; I74-V78 PolarHBondContact O-N 3.47Å
75E90.7Very high90.5Very high121 Ų121108.6 Ų108.657%0.56552%0.522SS*.Hα-helixtrans-60.8-40.9176.3-72.8-66.8162.700111.9I71 V72 V78 K79I71-E75 HydrophobicContact CG2-CG 4.03Å; I71-E75 WeakPolarHBondContact O-CG 3.4Å; I71-E75 PolarHBondContact O-N 3.01Å; V72-E75 PolarHBondContact O-N 2.87Å; E75-V78 PolarHBondContact O-N 2.87Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 PolarHBondContact O-N 3.13Å
76L91.6Very high90.1Very high110 Ų110106.2 Ų106.258%0.57652%0.516SS*.Hα-helixtrans-62.9-43.8174.2-91.5131.1000112V72 P73 I74 A80V72-L76 HydrophobicContact CG1-CD1 3.5Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 VanDerWaalsContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CD1 3.5Å; V72-L76 PolarHBondContact O-N 3.47Å; P73-L76 PolarHBondContact O-N 2.98Å; I74-L76 VanDerWaalsContact C-N 3.33Å; I74-L76 PolarHBondContact O-N 2.94Å; L76-A80 WeakPolarHBondContact O-CB 3.46Å; L76-A80 PolarHBondContact O-N 3.35Å
77Q91.7Very high89.6Confident118 Ų118104.4 Ų104.455%0.55151%0.507SS*.Hα-helixtrans-68.6-42.3177.4-68.1-60.4-32.600111.4P73 I74 A80 Q81P73-Q77 WeakPolarHBondContact O-CB 3.43Å; P73-Q77 VanDerWaalsContact O-CG 3.22Å; P73-Q77 WeakPolarHBondContact O-CG 3.46Å; P73-Q77 PolarHBondContact O-N 2.93Å; I74-Q77 PolarHBondContact O-N 3.24Å; Q77-A80 PolarHBondContact O-N 3.18Å; Q77-Q81 WeakPolarHBondContact O-CA 3.44Å; Q77-Q81 WeakPolarHBondContact O-CB 3.35Å; Q77-Q81 PolarHBondContact O-N 2.74Å
78V93.7Very high89.2Confident79 Ų79106.9 Ų106.948%0.47951%0.514SS..Hα-helixtrans-63.4-44.7175.7170.40000110.2I74 E75 Q81 N82I74-V78 HydrophobicContact CG2-CG2 4.17Å; I74-V78 WeakPolarHBondContact O-CB 3.3Å; I74-V78 VanDerWaalsContact O-CG2 3.26Å; I74-V78 WeakPolarHBondContact O-CG2 3.3Å; I74-V78 PolarHBondContact O-N 3.47Å; E75-V78 PolarHBondContact O-N 2.87Å; V78-Q81 PolarHBondContact O-N 3.47Å; V78-N82 WeakPolarHBondContact O-CB 3.34Å; V78-N82 PolarHBondContact O-N 2.92Å
79K93.2Very high88.7Confident146 Ų146105.3 Ų105.364%0.63551%0.51SS*.Hα-helixtrans-66.4-41.7176.4-170.9170.7-176.9173.90111.8E75 N82 R83E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 PolarHBondContact O-N 3.13Å; K79-N82 PolarHBondContact O-N 2.72Å; K79-R83 WeakPolarHBondContact O-CB 3.24Å; K79-R83 PolarHBondContact O-N 2.74Å
80A89.3Confident88.3Confident38 Ų38101 Ų10131%0.31450%0.495SS..Hα-helixtrans-67.5-39.7175.900000112.2L76 Q77 R84L76-A80 WeakPolarHBondContact O-CB 3.46Å; L76-A80 PolarHBondContact O-N 3.35Å; Q77-A80 PolarHBondContact O-N 3.18Å; A80-R84 WeakPolarHBondContact O-CB 3.46Å; A80-R84 WeakPolarHBondContact O-CG 3.46Å; A80-R84 PolarHBondContact O-N 3.48Å
81Q90.1Very high88Confident122 Ų122102 Ų10257%0.5750%0.496SS*.Hα-helixtrans-68.6-42175.2-178.7178.1-22.800110.8Q77 V78 R83 R84 R85Q77-Q81 WeakPolarHBondContact O-CA 3.44Å; Q77-Q81 WeakPolarHBondContact O-CB 3.35Å; Q77-Q81 PolarHBondContact O-N 2.74Å; V78-Q81 PolarHBondContact O-N 3.47Å; Q81-R83 VanDerWaalsContact C-N 3.34Å; Q81-R84 PolarHBondContact O-N 3.11Å; Q81-R85 WeakPolarHBondContact O-CB 3.26Å; Q81-R85 PolarHBondContact O-N 2.82Å
82N89.8Confident87.7Confident105 Ų105102 Ų10256%0.56150%0.495SS*.Hα-helixtrans-63.2-42.8175.6-172.754000110.9V78 K79 R85 S86V78-N82 WeakPolarHBondContact O-CB 3.34Å; V78-N82 PolarHBondContact O-N 2.92Å; K79-N82 PolarHBondContact O-N 2.72Å; N82-R85 PolarHBondContact O-N 3.39Å; N82-S86 PolarHBondContact O-N 3.44Å; N82-S86 PolarHBondContact O-OG 3.01Å
83R85.7Confident87.6Confident114 Ų114103.2 Ų103.243%0.4350%0.499SS..Hα-helixtrans-62.2-47.1173.6-163.3-177-170.6-75.710.8111.4K79 Q81 R85 S86 D87K79-R83 WeakPolarHBondContact O-CB 3.24Å; K79-R83 PolarHBondContact O-N 2.74Å; Q81-R83 VanDerWaalsContact C-N 3.34Å; R83-R85 VanDerWaalsContact C-N 3.31Å; R83-R85 PolarHBondContact O-N 2.89Å; R83-S86 WeakPolarHBondContact CA-OG 3.33Å; R83-S86 PolarHBondContact O-N 2.81Å; R83-S86 PolarHBondContact O-OG 2.63Å; R83-D87 IonicContact NH1-OD2 2.73Å; R83-D87 PolarHBondContact NH1-OD2 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.44Å; R83-D87 PolarHBondContact O-N 2.72Å
84R82.1Confident87.4Confident173 Ų173100.4 Ų100.465%0.65348%0.48SS*.Hα-helixtrans-59.8-40.6173.8-81.4-164.4-91.7-130.71.6112.4A80 Q81 D87 F88A80-R84 WeakPolarHBondContact O-CB 3.46Å; A80-R84 WeakPolarHBondContact O-CG 3.46Å; A80-R84 PolarHBondContact O-N 3.48Å; Q81-R84 PolarHBondContact O-N 3.11Å; R84-D87 PolarHBondContact O-N 3.44Å; R84-F88 WeakPolarHBondContact O-CB 3.33Å; R84-F88 PolarHBondContact O-N 3.39Å
85R84.8Confident87.2Confident189 Ų189100.4 Ų100.471%0.71348%0.478SS*.Hα-helixtrans-69-34.6179.2-173.3175.5-174.7161.62.6112Q81 N82 R83 P89Q81-R85 WeakPolarHBondContact O-CB 3.26Å; Q81-R85 PolarHBondContact O-N 2.82Å; N82-R85 PolarHBondContact O-N 3.39Å; R83-R85 VanDerWaalsContact C-N 3.31Å; R83-R85 PolarHBondContact O-N 2.89Å; R85-P89 WeakPolarHBondContact O-CD 3.34Å
86S79.8Confident87.1Confident62 Ų6296 Ų9643%0.43446%0.463SS..Hα-helixtrans-74-36.8173.361.90000112N82 R83 P89N82-S86 PolarHBondContact O-N 3.44Å; N82-S86 PolarHBondContact O-OG 3.01Å; R83-S86 WeakPolarHBondContact CA-OG 3.33Å; R83-S86 PolarHBondContact O-N 2.81Å; R83-S86 PolarHBondContact O-OG 2.63Å; S86-P89 WeakPolarHBondContact O-CD 3.38Å; S86-P89 WeakPolarHBondContact O-CG 3.27Å
87D80.6Confident86.9Confident60 Ų6091.5 Ų91.532%0.32144%0.441SS..Hα-helixtrans-72.3-34.4-178.7-65.9-20.9000111.7R83 R84 V90 R91R83-D87 IonicContact NH1-OD2 2.73Å; R83-D87 PolarHBondContact NH1-OD2 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.44Å; R83-D87 PolarHBondContact O-N 2.72Å; R84-D87 PolarHBondContact O-N 3.44Å; D87-V90 PolarHBondContact O-N 3.34Å; D87-R91 WeakPolarHBondContact O-CB 3.39Å; D87-R91 VanDerWaalsContact O-CG 3.27Å; D87-R91 WeakPolarHBondContact O-CG 3.42Å; D87-R91 PolarHBondContact O-N 2.81Å
88F81.6Confident86.8Confident141 Ų14186.4 Ų86.462%0.61842%0.418SS*.Hα-helixtrans-57.9-54-176.8-173-103.6000115.3R84 V90 R91 I92R84-F88 WeakPolarHBondContact O-CB 3.33Å; R84-F88 PolarHBondContact O-N 3.39Å; F88-V90 VanDerWaalsContact C-N 3.29Å; F88-V90 PolarHBondContact O-N 2.97Å; F88-R91 PolarHBondContact O-N 3.35Å; F88-I92 HydrophobicContact CD1-CD1 3.68Å; F88-I92 HydrophobicContact CD2-CD1 4.46Å; F88-I92 HydrophobicContact CE1-CD1 3.22Å; F88-I92 HydrophobicContact CE1-CG1 4.43Å; F88-I92 HydrophobicContact CE2-CD1 4.08Å; F88-I92 HydrophobicContact CG-CD1 4.3Å; F88-I92 HydrophobicContact CZ-CD1 3.46Å; F88-I92 VanDerWaalsContact CZ-CD1 3.46Å; F88-I92 HydrophobicContact CZ-CG1 4.43Å; F88-I92 WeakPolarHBondContact O-CG1 3.1Å; F88-I92 PolarHBondContact O-N 2.84Å
89P83.2Confident86.5Confident62 Ų6288.2 Ų88.240%0.40343%0.429SS..Hα-helixtrans-63.5-36.4179.225.5-34.4000112R85 S86 I92 L93R85-P89 WeakPolarHBondContact O-CD 3.34Å; S86-P89 WeakPolarHBondContact O-CD 3.38Å; S86-P89 WeakPolarHBondContact O-CG 3.27Å; P89-I92 PolarHBondContact O-N 3.06Å; P89-L93 VanDerWaalsContact O-CG 3.27Å; P89-L93 WeakPolarHBondContact O-CG 3.39Å; P89-L93 PolarHBondContact O-N 3.13Å
90V84.4Confident86.2Confident53 Ų5391.3 Ų91.332%0.32144%0.437SS..Hα-helixtrans-67.6-41.8179.4-175.90000110.9D87 F88 L93 A94 H176D87-V90 PolarHBondContact O-N 3.34Å; F88-V90 VanDerWaalsContact C-N 3.29Å; F88-V90 PolarHBondContact O-N 2.97Å; V90-L93 PolarHBondContact O-N 2.87Å; V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 2.85Å; V90-H176 WeakPolarHBondContact CG1-NE2 3.44Å
91R85.8Confident86Confident143 Ų14390.7 Ų90.754%0.5443%0.428SS..Hα-helixtrans-61.9-43.5175.1-74.4179.4124.6-157.4-3112.2D87 F88 L93 A94 E95D87-R91 WeakPolarHBondContact O-CB 3.39Å; D87-R91 VanDerWaalsContact O-CG 3.27Å; D87-R91 WeakPolarHBondContact O-CG 3.42Å; D87-R91 PolarHBondContact O-N 2.81Å; F88-R91 PolarHBondContact O-N 3.35Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 2.99Å; R91-A94 PolarHBondContact O-N 3.03Å; R91-E95 WeakPolarHBondContact O-CB 3.17Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.46Å
92I88.2Confident86Confident76 Ų7691.1 Ų91.139%0.3943%0.43SS..Hα-helixtrans-60.8-43.6175.3-70.5172.2000111.2F88 P89 E95 A96F88-I92 HydrophobicContact CD1-CD1 3.68Å; F88-I92 HydrophobicContact CD2-CD1 4.46Å; F88-I92 HydrophobicContact CE1-CD1 3.22Å; F88-I92 HydrophobicContact CE1-CG1 4.43Å; F88-I92 HydrophobicContact CE2-CD1 4.08Å; F88-I92 HydrophobicContact CG-CD1 4.3Å; F88-I92 HydrophobicContact CZ-CD1 3.46Å; F88-I92 VanDerWaalsContact CZ-CD1 3.46Å; F88-I92 HydrophobicContact CZ-CG1 4.43Å; F88-I92 WeakPolarHBondContact O-CG1 3.1Å; F88-I92 PolarHBondContact O-N 2.84Å; P89-I92 PolarHBondContact O-N 3.06Å; I92-E95 PolarHBondContact O-N 3.44Å; I92-A96 WeakPolarHBondContact O-CB 3.26Å; I92-A96 PolarHBondContact O-N 3.47Å
93L88.5Confident86Confident97 Ų9790.1 Ų90.151%0.50842%0.424SS..Hα-helixtrans-63.8-41.6177.6-71.2168.6000111.7P89 V90 R91 A96 A97 V186P89-L93 VanDerWaalsContact O-CG 3.27Å; P89-L93 WeakPolarHBondContact O-CG 3.39Å; P89-L93 PolarHBondContact O-N 3.13Å; V90-L93 PolarHBondContact O-N 2.87Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 2.99Å; L93-A96 PolarHBondContact O-N 3.13Å; L93-A97 WeakPolarHBondContact O-CB 2.96Å; L93-A97 PolarHBondContact O-N 3.49Å; L93-V186 HydrophobicContact CB-CG1 3.99Å; L93-V186 HydrophobicContact CB-CG2 4.44Å; L93-V186 HydrophobicContact CD1-CG1 4.1Å
94A87.5Confident86.1Confident0 Ų088.5 Ų88.50%042%0.42CS..Hα-helixtrans-64.7-42.4175.800000112V90 R91 A97 L98 L173 H176 V186V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 2.85Å; R91-A94 PolarHBondContact O-N 3.03Å; A94-A97 PolarHBondContact O-N 2.96Å; A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 VanDerWaalsContact O-CG 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.39Å; A94-L98 PolarHBondContact O-N 3.37Å; A94-L173 HydrophobicContact CB-CD2 4.49Å; A94-H176 WeakPolarHBondContact CB-ND1 3.45Å; A94-V186 HydrophobicContact CB-CG2 4.28Å
95E89.3Confident86.4Confident99 Ų9987.7 Ų87.746%0.46342%0.422SS..Hα-helixtrans-61.8-44173.5-74.3174.6-173.900111.6R91 I92 A97 L98 T99 L173R91-E95 WeakPolarHBondContact O-CB 3.17Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.46Å; I92-E95 PolarHBondContact O-N 3.44Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.17Å; E95-L98 PolarHBondContact O-N 3.44Å; E95-T99 WeakPolarHBondContact O-CG2 3.27Å; E95-T99 PolarHBondContact O-N 2.88Å; E95-T99 PolarHBondContact O-OG1 3.28Å; E95-L173 HydrophobicContact CG-CD2 3.49Å; E95-L173 VanDerWaalsContact CG-CD2 3.49Å
96A88.8Confident86.5Confident30 Ų3079.2 Ų79.225%0.24839%0.39CS..Hα-helixtrans-63.3-37175.100000112I92 L93 T99 R100I92-A96 WeakPolarHBondContact O-CB 3.26Å; I92-A96 PolarHBondContact O-N 3.47Å; L93-A96 PolarHBondContact O-N 3.13Å; A96-T99 WeakPolarHBondContact CA-OG1 3.32Å; A96-T99 PolarHBondContact O-OG1 3.17Å; A96-R100 WeakPolarHBondContact O-CG 3.4Å; A96-R100 PolarHBondContact O-N 3.5Å
97A87.6Confident86.7Confident14 Ų1478 Ų7812%0.11638%0.382CS..Hα-helixtrans-66.4-45.6173.700000111.3L93 A94 E95 T99 R100 M101 V185L93-A97 WeakPolarHBondContact O-CB 2.96Å; L93-A97 PolarHBondContact O-N 3.49Å; A94-A97 PolarHBondContact O-N 2.96Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.17Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.32Å; A97-R100 PolarHBondContact O-N 3.39Å; A97-M101 HydrophobicContact CB-CE 4.11Å; A97-M101 WeakPolarHBondContact O-CG 3.12Å; A97-M101 PolarHBondContact O-N 3.04Å; A97-V185 HydrophobicContact CB-CG2 4.28Å
98L88.1Confident86.6Confident12 Ų1279.2 Ų79.26%0.06339%0.385CS..Hα-helixtrans-61.7-36.4178.6-76.2170.6000113A94 E95 R100 M101 R155 L172 L173A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 VanDerWaalsContact O-CG 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.39Å; A94-L98 PolarHBondContact O-N 3.37Å; E95-L98 PolarHBondContact O-N 3.44Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.13Å; L98-M101 HydrophobicContact CD2-SD 4.18Å; L98-M101 PolarHBondContact O-N 3.27Å; L98-R155 PolarHBondContact O-NH1 2.89Å; L98-L172 HydrophobicContact CD1-CB 4.4Å; L98-L172 HydrophobicContact CD2-CB 4Å; L98-L172 HydrophobicContact CD2-CD1 3.51Å; L98-L172 HydrophobicContact CD2-CG 4.39Å; L98-L172 HydrophobicContact CG-CB 4.45Å; L98-L173 HydrophobicContact CD1-CD2 3.93Å; L98-L173 HydrophobicContact CD1-CG 3.91Å
99T88.4Confident85.9Confident117 Ų11777.4 Ų77.472%0.71839%0.386SS*.Hα-helixtrans-70.4-23.5178.5500000113.3E95 A96 A97E95-T99 WeakPolarHBondContact O-CG2 3.27Å; E95-T99 PolarHBondContact O-N 2.88Å; E95-T99 PolarHBondContact O-OG1 3.28Å; A96-T99 WeakPolarHBondContact CA-OG1 3.32Å; A96-T99 PolarHBondContact O-OG1 3.17Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.32Å
100R86.3Confident84.6Confident210 Ų21084.4 Ų84.479%0.79240%0.404SS*.Hα-helixtrans-85.5-20.7177.1-67.4173.6-172.6155.12.8113.8A96 A97 L98A96-R100 WeakPolarHBondContact O-CG 3.4Å; A96-R100 PolarHBondContact O-N 3.5Å; A97-R100 PolarHBondContact O-N 3.39Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.13Å
101M86.4Confident83.4Confident25 Ų2586.8 Ų86.812%0.12341%0.41CS..SBendtrans-71.1145.1-175.9-72.8172.5-161.200112.6A97 L98 L103 R155 L172 V185A97-M101 HydrophobicContact CB-CE 4.11Å; A97-M101 WeakPolarHBondContact O-CG 3.12Å; A97-M101 PolarHBondContact O-N 3.04Å; L98-M101 HydrophobicContact CD2-SD 4.18Å; L98-M101 PolarHBondContact O-N 3.27Å; M101-L103 PolarHBondContact O-N 2.78Å; M101-R155 HydrophobicContact CB-CG 4.23Å; M101-R155 HydrophobicContact SD-CG 4.36Å; M101-L172 HydrophobicContact CE-CD1 4.45Å; M101-L172 HydrophobicContact SD-CD1 4.27Å; M101-V185 HydrophobicContact CE-CB 3.61Å; M101-V185 HydrophobicContact CE-CG1 3.68Å; M101-V185 HydrophobicContact CE-CG2 4.08Å
102E88.8Confident81.9Confident131 Ų13186.3 Ų86.361%0.61242%0.416SS*.  trans-67.1131179.4-168.8-177.2149.200111.3V156E102-V156 HydrophobicContact CB-CB 4.47Å; E102-V156 PolarHBondContact O-N 2.89Å
103L90.2Very high79.9Confident85 Ų8592 Ų9245%0.44544%0.438SS..EExtended strand (participates in β ladder)trans-104.2120.9170.4-75.4162.3000108.9M101 L154 R155 R165M101-L103 PolarHBondContact O-N 2.78Å; L103-L154 CarbonylContact C-O 3.57Å; L103-L154 WeakPolarHBondContact CA-O 3.09Å; L103-R155 HydrophobicContact CD2-CB 4.21Å; L103-R165 HydrophobicContact CD2-CB 4.13Å; L103-R165 HydrophobicContact CD2-CG 4Å
104K87.8Confident77.9Confident79 Ų7997.9 Ų97.934%0.34345%0.453SS..EExtended strand (participates in β ladder)trans-110.3139.6179.9-177172.4168.4-173.10109.5L154 V156 E162K104-L154 PolarHBondContact N-O 2.93Å; K104-L154 PolarHBondContact O-N 3.39Å; K104-V156 HydrophobicContact CB-CG2 4.34Å; K104-E162 IonicContact NZ-OE1 3.11Å; K104-E162 PolarHBondContact NZ-OE1 3.28Å; K104-E162 IonicContact NZ-OE2 3.01Å
105K89.3Confident76.1Confident157 Ų157102.8 Ų102.868%0.68349%0.485SS*.EExtended strand (participates in β ladder)trans-86.9121.3166.7-71.6-176178.11800108.1S107K105-S107 PolarHBondContact O-N 3.47Å
106F86.1Confident74.3Confident10 Ų10104.5 Ų104.54%0.04450%0.504CS..  trans-67.3133.6174.4-170.9-101.5000109.6H108 D139 Y148 G151 Q152 L154F106-H108 HydrophobicContact CE1-CB 4.37Å; F106-D139 HydrophobicContact CZ-CB 4.47Å; F106-D139 WeakPolarHBondContact CZ-OD1 3.47Å; F106-Y148 VanDerWaalsContact CD1-CB 3.48Å; F106-Y148 AromaticContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CG 4.14Å; F106-Y148 VanDerWaalsContact CE1-O 3.3Å; F106-Y148 WeakPolarHBondContact CE1-O 3.03Å; F106-Y148 AromaticContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CG 4.25Å; F106-Y148 HydrophobicContact CG-CG 4.33Å; F106-Y148 HydrophobicContact CZ-CD2 4.38Å; F106-G151 PolarHBondContact O-N 2.98Å; F106-Q152 PolarHBondContact N-O 3.38Å; F106-L154 HydrophobicContact CB-CD1 3.82Å; F106-L154 HydrophobicContact CB-CG 4.01Å; F106-L154 HydrophobicContact CD2-CD1 3.65Å; F106-L154 HydrophobicContact CG-CD1 4.1Å
107S83.4Confident72.5Confident38 Ų38111 Ų11127%0.26653%0.534SS..  trans-145.3116.9169.4-174.70000109.8K105 T109 R110 D150K105-S107 PolarHBondContact O-N 3.47Å; S107-T109 PolarHBondContact O-N 2.95Å; S107-T109 PolarHBondContact OG-OG1 2.89Å; S107-R110 PolarHBondContact O-N 3.39Å; S107-D150 WeakPolarHBondContact CA-OD1 3.3Å; S107-D150 PolarHBondContact OG-OD1 2.86Å
108H78.2Confident70.6Confident84 Ų84113.3 Ų113.339%0.38956%0.56SS.*G310 helixtrans-59.2-33.6-178.7-173.6-101.2000111.6F106 R110 K111 D150F106-H108 HydrophobicContact CE1-CB 4.37Å; H108-R110 PolarHBondContact O-N 3.15Å; H108-R110 VanDerWaalsContact O-N 3.16Å; H108-K111 PolarHBondContact O-N 2.88Å; H108-D150 PolarHBondContact N-OD1 2.74Å
109T67.3Low68.7Low104 Ų104121.6 Ų121.664%0.63860%0.598SS**G310 helixtrans-63.9-21.6-178.162.80000113.9S107S107-T109 PolarHBondContact O-N 2.95Å; S107-T109 PolarHBondContact OG-OG1 2.89Å
110R57.2Low66.8Low208 Ų208120.9 Ų120.979%0.78560%0.595SS**G310 helixtrans-76.5-30.7178.4-65.6-168.5-170.2-163.33.7113.5S107 H108S107-R110 PolarHBondContact O-N 3.39Å; H108-R110 PolarHBondContact O-N 3.15Å; H108-R110 VanDerWaalsContact O-N 3.16Å
111K58.1Low65.1Low103 Ų103117.4 Ų117.445%0.44859%0.593SS.*THydrogen-bonded Turntrans-79.1-18.8-178.3-90-177.8-179.7177.30113.2H108 K113 S138 D139H108-K111 PolarHBondContact O-N 2.88Å; K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 3.45Å; K111-S138 PolarHBondContact NZ-O 3.27Å; K111-S138 PolarHBondContact NZ-OG 2.9Å; K111-D139 IonicContact NZ-OD1 3.44Å; K111-D139 PolarHBondContact NZ-OD1 2.86Å
112M55.4Low63.4Low134 Ų134122.8 Ų122.866%0.6663%0.627SS**THydrogen-bonded Turntrans-80.80.4-179.2-75.5-80.5-176.800114.6R114M112-R114 PolarHBondContact O-N 3Å
113K46Very low61.7Low196 Ų196120.5 Ų120.585%0.85263%0.631SS**  trans-79.256.6172.8-145.4-176.3-166.8-1590111.2K111K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 3.45Å
114R46.6Very low60Low220 Ų220122.8 Ų122.883%0.8365%0.648SS**  trans-66.8131.9162-162177.7-86.5173.6-5.9106.4M112M112-R114 PolarHBondContact O-N 3Å
115P49.1Very low58.4Low102 Ų102125.9 Ų125.966%0.66267%0.674SS**  trans-54.2146.5177.4-20.330.3000109.8L117P115-L117 PolarHBondContact O-N 3.42Å
116P51.1Low56.2Low135 Ų135121.4 Ų121.488%0.87767%0.672SS**  trans-59.4103.4174.223.9-30.1000108.1G118P116-G118 PolarHBondContact O-N 3.06Å
117L50.7Low54.6Low166 Ų166128.6 Ų128.687%0.86971%0.71SS**  trans-72.6110.4171.1-164.473.2000105P115 E119P115-L117 PolarHBondContact O-N 3.42Å; L117-E119 PolarHBondContact O-N 2.93Å
118G48.4Very low52.8Low64 Ų64135.3 Ų135.366%0.6674%0.742SS**  trans-50.2129.9179.300000111.1P116P116-G118 PolarHBondContact O-N 3.06Å
119E48.2Very low51.3Low185 Ų185135.7 Ų135.786%0.86475%0.754SS**  trans-51.7140.1162-66.5167.795.300108.5L117L117-E119 PolarHBondContact O-N 2.93Å
120P48.1Very low50Low102 Ų102138.3 Ų138.366%0.66276%0.764SS**  -144.3137.492212000115.5
121N50.5Low49.7Very low137 Ų137133.7 Ų133.773%0.73376%0.764SS**  trans54.9109131.5-24.5-20.9000117.7
122T50.7Low49.2Very low138 Ų138134.1 Ų134.185%0.84778%0.78SS**  160122.5109.837.60000111.9
123A52.6Low48.9Very low83 Ų83134.2 Ų134.269%0.68678%0.782SS**  trans27.7136146.700000121.6
124T54.2Low48.8Very low133 Ų133129 Ų12982%0.81677%0.77SS**  trans74.3105144.144.60000118.2
125V55.7Low49Very low145 Ų145123.8 Ų123.888%0.87976%0.759SS**  171136.295.3168.10000107
126G42.7Very low48.9Very low63 Ų63123.4 Ų123.465%0.64976%0.757SS**  trans-70.7165-168.800000116.7
127L51.4Low49.3Very low161 Ų161119.8 Ų119.884%0.84374%0.744SS**  trans-164.6100.7140.1-108.2159.1000108.1S129L127-S129 PolarHBondContact O-N 3.35Å
128L47.2Very low50.4Low179 Ų179114.5 Ų114.594%0.93772%0.721SS**  trans-74.7107.5163.8-67.3167.6000107.3
129S45.1Very low52.2Low91 Ų91112.6 Ų112.664%0.63670%0.696SS**  trans-159.1105.8153.327.40000107.8L127L127-S129 PolarHBondContact O-N 3.35Å
130D40.8Very low54.3Low160 Ų160105.8 Ų105.886%0.85667%0.665SS**  trans-34.4147.1160.1-87.5-51000112.4
131S50.1Low56.4Low110 Ų110101 Ų10177%0.76963%0.634SS**  trans97.122.9167.2-38.50000118.2L133S131-L133 PolarHBondContact O-N 3.27Å
132S49.3Very low58.4Low113 Ų11396.2 Ų96.279%0.7961%0.614SS**  trans-72.665.9154.7680000110S134S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 PolarHBondContact O-N 2.9Å
133L47.8Very low60.4Low135 Ų13592.3 Ų92.371%0.70759%0.587SS**  trans-58107.2150.6-68.9-177.7000104S131 L135S131-L133 PolarHBondContact O-N 3.27Å; L133-L135 PolarHBondContact O-N 3.37Å
134S45.3Very low62.4Low86 Ų8690.6 Ų90.660%0.60157%0.569SS**  trans-61.280.8170.750.10000107.4S132 C136S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 PolarHBondContact O-N 2.9Å; S134-C136 PolarHBondContact O-N 3.38Å
135L49.7Very low64.1Low112 Ų11290.9 Ų90.959%0.58657%0.565SS**  trans-75.139.9176-152.776.1000109.1L133 G137 L140 V147L133-L135 PolarHBondContact O-N 3.37Å; L135-G137 PolarHBondContact O-N 2.86Å; L135-L140 HydrophobicContact CD1-CD2 3.68Å; L135-L140 HydrophobicContact CD2-CD2 4.25Å; L135-L140 HydrophobicContact CG-CD2 3.47Å; L135-L140 VanDerWaalsContact CG-CD2 3.47Å; L135-V147 HydrophobicContact CD1-CG2 3.96Å
136C47.4Very low65.9Low94 Ų9488.8 Ų88.864%0.63555%0.546SS*.  trans-65.5119.6165.2-175.80000104.7S134 S138 D139S134-C136 PolarHBondContact O-N 3.38Å; C136-S138 PolarHBondContact O-N 2.86Å; C136-D139 PolarHBondContact O-N 3.38Å
137G59.9Low68.1Low58 Ų5888.9 Ų88.960%0.59853%0.534SS*.THydrogen-bonded Turntrans-52.310-163.400000118.9L135L135-G137 PolarHBondContact O-N 2.86Å
138S74.1Confident70.1Confident56 Ų5681.8 Ų81.839%0.39250%0.496SS..THydrogen-bonded Turntrans-84.4-14.4174.576.30000115.3K111 C136K111-S138 PolarHBondContact NZ-O 3.27Å; K111-S138 PolarHBondContact NZ-OG 2.9Å; C136-S138 PolarHBondContact O-N 2.86Å
139D86Confident72.1Confident24 Ų2479.6 Ų79.613%0.12848%0.479CS..SBendtrans-112.715.4-174.7-67.1-35.9000114F106 K111 C136 V147 Y148F106-D139 HydrophobicContact CZ-CB 4.47Å; F106-D139 WeakPolarHBondContact CZ-OD1 3.47Å; K111-D139 IonicContact NZ-OD1 3.44Å; K111-D139 PolarHBondContact NZ-OD1 2.86Å; C136-D139 PolarHBondContact O-N 3.38Å; D139-V147 CarbonylContact O-C 3.5Å; D139-V147 WeakPolarHBondContact O-CA 3.19Å; D139-V147 WeakPolarHBondContact O-CG1 3.46Å; D139-Y148 WeakPolarHBondContact O-CD2 3.46Å; D139-Y148 PolarHBondContact O-N 2.81Å
140L91.1Very high74.2Confident42 Ų4280 Ų8022%0.2247%0.474CS..BIsolated β-bridgetrans-133.6143.1-174.952.799.1000112.1L135 E146 Y148L135-L140 HydrophobicContact CD1-CD2 3.68Å; L135-L140 HydrophobicContact CD2-CD2 4.25Å; L135-L140 HydrophobicContact CG-CD2 3.47Å; L135-L140 VanDerWaalsContact CG-CD2 3.47Å; L140-E146 WeakPolarHBondContact CA-O 3.38Å; L140-Y148 VanDerWaalsContact C-CZ 3.46Å; L140-Y148 PolarHBondContact O-OH 2.81Å
141C93.5Very high76.5Confident0 Ų074.8 Ų74.80%046%0.458CS..  trans-83.8119.5175.2-170.70000110.3I143 C144 L145 E146 Y148 H164C141-I143 PolarHBondContact O-N 3.45Å; C141-I143 VanDerWaalsContact O-N 3.12Å; C141-C144 VanDerWaalsContact CB-SG 3.52Å; C141-L145 WeakPolarHBondContact O-CA 3.44Å; C141-L145 PolarHBondContact O-N 3.23Å; C141-E146 PolarHBondContact N-O 3.21Å; C141-Y148 WeakPolarHBondContact CA-OH 3.22Å; C141-Y148 HydrophobicContact CB-CD1 4.44Å; C141-Y148 HydrophobicContact CB-CE1 3.58Å; C141-H164 VanDerWaalsContact CB-ND1 3.27Å; C141-H164 WeakPolarHBondContact CB-ND1 3.1Å
142A92.1Very high78.5Confident38 Ų3871.9 Ų71.931%0.31443%0.433SS..THydrogen-bonded Turntrans-70.7-7.1179.500000114.3F163 L180A142-F163 HydrophobicContact CB-CE1 4.02Å; A142-L180 HydrophobicContact CB-CD1 4.4Å; A142-L180 HydrophobicContact CB-CD2 3.84Å; A142-L180 HydrophobicContact CB-CG 4.33Å
143I91.8Very high80.5Confident56 Ų5669.1 Ų69.129%0.28741%0.411SS..THydrogen-bonded Turntrans-89.7-49.9178.9-59.1171.2000111.3C141 F163 C167 V168 P179C141-I143 PolarHBondContact O-N 3.45Å; C141-I143 VanDerWaalsContact O-N 3.12Å; I143-F163 HydrophobicContact CD1-CB 4.31Å; I143-F163 HydrophobicContact CD1-CD1 3.79Å; I143-F163 HydrophobicContact CD1-CE1 4.38Å; I143-F163 HydrophobicContact CD1-CG 4.17Å; I143-F163 HydrophobicContact CG1-CD1 3.81Å; I143-F163 HydrophobicContact CG1-CE1 4.16Å; I143-C167 HydrophobicContact CB-CB 3.87Å; I143-C167 HydrophobicContact CD1-CB 3.95Å; I143-C167 HydrophobicContact CG2-CB 3.79Å; I143-V168 HydrophobicContact CD1-CB 3.84Å; I143-V168 HydrophobicContact CD1-CG2 4.15Å; I143-P179 HydrophobicContact CD1-CG 4.17Å; I143-P179 HydrophobicContact CG1-CG 4.14Å
144C94.2Very high82.7Confident46 Ų4662.7 Ų62.731%0.31138%0.377SS..THydrogen-bonded Turntrans-97.8-5.5177.861.70000113.8C141 E146 H164C141-C144 VanDerWaalsContact CB-SG 3.52Å; C144-E146 HydrophobicContact CB-CG 4.34Å; C144-E146 PolarHBondContact O-N 3.01Å; C144-H164 PolarHBondContact SG-ND1 3.13Å
145L91.8Very high85Confident139 Ų13959.1 Ų59.173%0.72835%0.351SS*.  trans59.320.7-176.9-50.9178000114C141C141-L145 WeakPolarHBondContact O-CA 3.44Å; C141-L145 PolarHBondContact O-N 3.23Å
146E91.9Very high87.1Confident101 Ų10155 Ų5547%0.47233%0.33SS..PPolyproline II helixtrans-96.7146.4177.7-63.1-175179.400112.3L140 C141 C144L140-E146 WeakPolarHBondContact CA-O 3.38Å; C141-E146 PolarHBondContact N-O 3.21Å; C144-E146 HydrophobicContact CB-CG 4.34Å; C144-E146 PolarHBondContact O-N 3.01Å
147V90.5Very high89.1Confident66 Ų6650.7 Ų50.740%0.430%0.301SS..BIsolated β-bridgetrans-68.1138171.3-1790000110L135 D139 K149L135-V147 HydrophobicContact CD1-CG2 3.96Å; D139-V147 CarbonylContact O-C 3.5Å; D139-V147 WeakPolarHBondContact O-CA 3.19Å; D139-V147 WeakPolarHBondContact O-CG1 3.46Å; V147-K149 PolarHBondContact O-N 3.2Å
148Y93Very high90.5Very high11 Ų1151.2 Ų51.24%0.04330%0.295CS..PPolyproline II helixtrans-64.7131.7176.1-60.3-48.1000111.4F106 D139 L140 C141 L154 E162 F163 H164F106-Y148 VanDerWaalsContact CD1-CB 3.48Å; F106-Y148 AromaticContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CG 4.14Å; F106-Y148 VanDerWaalsContact CE1-O 3.3Å; F106-Y148 WeakPolarHBondContact CE1-O 3.03Å; F106-Y148 AromaticContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CG 4.25Å; F106-Y148 HydrophobicContact CG-CG 4.33Å; F106-Y148 HydrophobicContact CZ-CD2 4.38Å; D139-Y148 WeakPolarHBondContact O-CD2 3.46Å; D139-Y148 PolarHBondContact O-N 2.81Å; L140-Y148 VanDerWaalsContact C-CZ 3.46Å; L140-Y148 PolarHBondContact O-OH 2.81Å; C141-Y148 WeakPolarHBondContact CA-OH 3.22Å; C141-Y148 HydrophobicContact CB-CD1 4.44Å; C141-Y148 HydrophobicContact CB-CE1 3.58Å; Y148-L154 HydrophobicContact CD1-CD1 4.02Å; Y148-L154 HydrophobicContact CD1-CD2 3.35Å; Y148-L154 HydrophobicContact CD1-CG 4.33Å; Y148-L154 HydrophobicContact CD2-CD1 3.81Å; Y148-L154 HydrophobicContact CE1-CD1 4.07Å; Y148-L154 HydrophobicContact CE1-CD2 3.37Å; Y148-L154 HydrophobicContact CE1-CG 4.37Å; Y148-L154 HydrophobicContact CE2-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD2 4.04Å; Y148-E162 PolarHBondContact OH-O 2.73Å; Y148-F163 WeakPolarHBondContact OH-CA 3.26Å; Y148-H164 AromaticContact CD1-CD2 3.99Å; Y148-H164 AromaticContact CD1-CE1 3.77Å; Y148-H164 AromaticContact CD1-NE2 3.5Å; Y148-H164 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H164 AromaticContact CE1-CE1 3.94Å; Y148-H164 AromaticContact CE1-NE2 3.98Å
149K88.7Confident91.3Very high134 Ų13450.3 Ų50.358%0.58329%0.288SS*.PPolyproline II helixtrans-100.7148.5175.7-56179-178.8173.60110.2V147 G151 Q152V147-K149 PolarHBondContact O-N 3.2Å; K149-G151 PolarHBondContact O-N 3.45Å; K149-Q152 HydrophobicContact CB-CG 4.02Å; K149-Q152 VanDerWaalsContact O-CB 3.3Å; K149-Q152 WeakPolarHBondContact O-CB 3.1Å; K149-Q152 WeakPolarHBondContact O-CG 3.23Å; K149-Q152 PolarHBondContact O-N 3.39Å; K149-Q152 VanDerWaalsContact O-N 3.12Å
150D89.2Confident91.5Very high98 Ų9851.4 Ų51.452%0.52431%0.306SS..THydrogen-bonded Turntrans-52.5134.6175.4-72.6-65.2000111.7S107 H108 Q152S107-D150 WeakPolarHBondContact CA-OD1 3.3Å; S107-D150 PolarHBondContact OG-OD1 2.86Å; H108-D150 PolarHBondContact N-OD1 2.74Å; D150-Q152 VanDerWaalsContact C-N 3.27Å; D150-Q152 PolarHBondContact O-N 3.33Å
151G88.3Confident91.6Very high52 Ų5252.5 Ų52.554%0.53631%0.309SS..THydrogen-bonded Turntrans83-7.7179.900000115.1F106 K149F106-G151 PolarHBondContact O-N 2.98Å; K149-G151 PolarHBondContact O-N 3.45Å
152Q92.2Very high91.5Very high49 Ų4954.8 Ų54.823%0.22932%0.32CS..  trans-66.9140.9173-69.9-179.2-22.100111.2F106 K149 D150 H164F106-Q152 PolarHBondContact N-O 3.38Å; K149-Q152 HydrophobicContact CB-CG 4.02Å; K149-Q152 VanDerWaalsContact O-CB 3.3Å; K149-Q152 WeakPolarHBondContact O-CB 3.1Å; K149-Q152 WeakPolarHBondContact O-CG 3.23Å; K149-Q152 PolarHBondContact O-N 3.39Å; K149-Q152 VanDerWaalsContact O-N 3.12Å; D150-Q152 VanDerWaalsContact C-N 3.27Å; D150-Q152 PolarHBondContact O-N 3.33Å; Q152-H164 PolarHBondContact OE1-CD2 3.26Å; Q152-H164 PolarHBondContact OE1-NE2 3.49Å
153T93Very high91.6Very high55 Ų5553 Ų5334%0.33731%0.305SS..EExtended strand (participates in β ladder)trans-86.4115.5176.555.60000110.2R165T153-R165 PolarHBondContact O-N 3.4Å
154L93.6Very high91.8Very high0 Ų051 Ų510%030%0.295CS..EExtended strand (participates in β ladder)trans-98.1144.4172.6-52.1-173.1000109.7L103 K104 F106 Y148 E162 F163L103-L154 CarbonylContact C-O 3.57Å; L103-L154 WeakPolarHBondContact CA-O 3.09Å; K104-L154 PolarHBondContact N-O 2.93Å; K104-L154 PolarHBondContact O-N 3.39Å; F106-L154 HydrophobicContact CB-CD1 3.82Å; F106-L154 HydrophobicContact CB-CG 4.01Å; F106-L154 HydrophobicContact CD2-CD1 3.65Å; F106-L154 HydrophobicContact CG-CD1 4.1Å; Y148-L154 HydrophobicContact CD1-CD1 4.02Å; Y148-L154 HydrophobicContact CD1-CD2 3.35Å; Y148-L154 HydrophobicContact CD1-CG 4.33Å; Y148-L154 HydrophobicContact CD2-CD1 3.81Å; Y148-L154 HydrophobicContact CE1-CD1 4.07Å; Y148-L154 HydrophobicContact CE1-CD2 3.37Å; Y148-L154 HydrophobicContact CE1-CG 4.37Å; Y148-L154 HydrophobicContact CE2-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD2 4.04Å; L154-E162 HydrophobicContact CD1-CB 4.49Å; L154-F163 CarbonylContact C-O 3.58Å; L154-F163 WeakPolarHBondContact CA-O 3.2Å
155R93.4Very high91.7Very high10 Ų1054.2 Ų54.24%0.03830%0.3CS..EExtended strand (participates in β ladder)trans-102.5130.8167.9177.1177.4-53.9-81.211.2108.4L98 M101 L103 E162 F163 V168 D169L98-R155 PolarHBondContact O-NH1 2.89Å; M101-R155 HydrophobicContact CB-CG 4.23Å; M101-R155 HydrophobicContact SD-CG 4.36Å; L103-R155 HydrophobicContact CD2-CB 4.21Å; R155-E162 WeakPolarHBondContact O-CA 3.42Å; R155-F163 PolarHBondContact N-O 3.48Å; R155-F163 PolarHBondContact O-N 3.47Å; R155-V168 HydrophobicContact CB-CG1 3.72Å; R155-V168 HydrophobicContact CG-CG1 4.16Å; R155-D169 IonicContact CZ-OD1 2.63Å; R155-D169 IonicContact NE-OD1 3.12Å; R155-D169 PolarHBondContact NE-OD1 3.49Å; R155-D169 VanDerWaalsContact NH2-CG 3.28Å; R155-D169 IonicContact NH2-OD1 3Å; R155-D169 PolarHBondContact NH2-OD1 3.49Å; R155-D169 IonicContact NH2-OD2 2.81Å; R155-D169 PolarHBondContact NH2-OD2 2.92Å
156V92.3Very high91.8Very high26 Ų2656.3 Ų56.316%0.15830%0.304CS..EExtended strand (participates in β ladder)trans-95.3117171.4-169.30000107.3E102 K104 E162E102-V156 HydrophobicContact CB-CB 4.47Å; E102-V156 PolarHBondContact O-N 2.89Å; K104-V156 HydrophobicContact CB-CG2 4.34Å; V156-E162 HydrophobicContact CG2-CG 4.2Å
157I91.4Very high92Very high3 Ų353 Ų532%0.01529%0.291CS..PPolyproline II helixtrans-72.2155.7173.5-54.2-177000108.3C159 G160 H161 F163 V168 L172 C178 V185I157-C159 PolarHBondContact O-N 2.84Å; I157-G160 WeakPolarHBondContact O-CA 3.22Å; I157-G160 PolarHBondContact O-N 3.28Å; I157-H161 PolarHBondContact N-O 2.82Å; I157-F163 HydrophobicContact CD1-CD2 3.76Å; I157-F163 HydrophobicContact CD1-CE2 3.48Å; I157-F163 VanDerWaalsContact CD1-CE2 3.48Å; I157-F163 HydrophobicContact CG1-CD2 4.12Å; I157-F163 HydrophobicContact CG1-CE2 4.16Å; I157-V168 HydrophobicContact CD1-CG2 3.9Å; I157-V168 HydrophobicContact CG1-CG2 4.4Å; I157-L172 HydrophobicContact CD1-CD1 4.23Å; I157-L172 HydrophobicContact CD1-CD2 4.5Å; I157-L172 HydrophobicContact CG1-CD1 4.36Å; I157-C178 HydrophobicContact CD1-CB 4.03Å; I157-V185 HydrophobicContact CG2-CG1 3.68Å
158S89.1Confident92.1Very high70 Ų7049.9 Ų49.949%0.4927%0.272SS..THydrogen-bonded Turntrans-54.6-23.6175.948.20000114.7G160 F183S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 3.26Å; S158-F183 WeakPolarHBondContact OG-CE1 3.44Å
159C91.1Very high92.1Very high36 Ų3650.7 Ų50.724%0.24328%0.278CS..THydrogen-bonded Turntrans-78.9-1.1172.364.40000114.6I157 H161 C178 C181 F183I157-C159 PolarHBondContact O-N 2.84Å; C159-H161 PolarHBondContact SG-ND1 2.99Å; C159-C178 VanDerWaalsContact SG-SG 3.63Å; C159-C181 PolarHBondContact SG-SG 2.86Å; C159-F183 HydrophobicContact CB-CB 3.78Å; C159-F183 HydrophobicContact CB-CD1 4.22Å; C159-F183 HydrophobicContact CB-CD2 4.28Å; C159-F183 HydrophobicContact CB-CG 3.82Å
160G89.8Confident92.3Very high48 Ų4847.9 Ų47.950%0.49527%0.273SS..SBendtrans91.3-6.1177.100000116I157 S158I157-G160 WeakPolarHBondContact O-CA 3.22Å; I157-G160 PolarHBondContact O-N 3.28Å; S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 3.26Å
161H92Very high92.5Very high64 Ų6447.9 Ų47.930%0.29627%0.266SS..  trans-76.2135.3178-67.3103.5000112I157 C159 F163 L180I157-H161 PolarHBondContact N-O 2.82Å; C159-H161 PolarHBondContact SG-ND1 2.99Å; H161-F163 HydrophobicContact CB-CD2 4.45Å; H161-F163 HydrophobicContact CB-CE2 3.55Å; H161-F163 HydrophobicContact CB-CZ 4.02Å; H161-L180 HydrophobicContact CB-CD1 4.09Å; H161-L180 WeakPolarHBondContact CD2-CD1 3.24Å
162E92.4Very high92.7Very high48 Ų4845.4 Ų45.422%0.22424%0.24CC..EExtended strand (participates in β ladder)trans-100.5137.9-179.3-51.3-170.9158.400110.7K104 Y148 L154 R155 V156K104-E162 IonicContact NZ-OE1 3.11Å; K104-E162 PolarHBondContact NZ-OE1 3.28Å; K104-E162 IonicContact NZ-OE2 3.01Å; Y148-E162 PolarHBondContact OH-O 2.73Å; L154-E162 HydrophobicContact CD1-CB 4.49Å; R155-E162 WeakPolarHBondContact O-CA 3.42Å; V156-E162 HydrophobicContact CG2-CG 4.2Å
163F94.3Very high92.5Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-145.6162.1175.7-57.8-89.2000111.1A142 I143 Y148 L154 R155 I157 H161 R165 V168 P179 L180A142-F163 HydrophobicContact CB-CE1 4.02Å; I143-F163 HydrophobicContact CD1-CB 4.31Å; I143-F163 HydrophobicContact CD1-CD1 3.79Å; I143-F163 HydrophobicContact CD1-CE1 4.38Å; I143-F163 HydrophobicContact CD1-CG 4.17Å; I143-F163 HydrophobicContact CG1-CD1 3.81Å; I143-F163 HydrophobicContact CG1-CE1 4.16Å; Y148-F163 WeakPolarHBondContact OH-CA 3.26Å; L154-F163 CarbonylContact C-O 3.58Å; L154-F163 WeakPolarHBondContact CA-O 3.2Å; R155-F163 PolarHBondContact N-O 3.48Å; R155-F163 PolarHBondContact O-N 3.47Å; I157-F163 HydrophobicContact CD1-CD2 3.76Å; I157-F163 HydrophobicContact CD1-CE2 3.48Å; I157-F163 VanDerWaalsContact CD1-CE2 3.48Å; I157-F163 HydrophobicContact CG1-CD2 4.12Å; I157-F163 HydrophobicContact CG1-CE2 4.16Å; H161-F163 HydrophobicContact CB-CD2 4.45Å; H161-F163 HydrophobicContact CB-CE2 3.55Å; H161-F163 HydrophobicContact CB-CZ 4.02Å; F163-R165 PolarHBondContact O-N 3.4Å; F163-V168 HydrophobicContact CB-CB 3.7Å; F163-V168 HydrophobicContact CB-CG1 4.05Å; F163-V168 HydrophobicContact CB-CG2 4.13Å; F163-V168 HydrophobicContact CD2-CB 4.45Å; F163-V168 HydrophobicContact CD2-CG2 3.94Å; F163-V168 HydrophobicContact CG-CB 4.22Å; F163-V168 HydrophobicContact CG-CG2 4.14Å; F163-P179 HydrophobicContact CE1-CB 4.39Å; F163-P179 HydrophobicContact CE1-CG 4.13Å; F163-P179 HydrophobicContact CZ-CB 4.37Å; F163-P179 HydrophobicContact CZ-CG 4.07Å; F163-L180 HydrophobicContact CE1-CD1 3.93Å; F163-L180 HydrophobicContact CE1-CG 4.14Å; F163-L180 HydrophobicContact CE2-CD1 4.49Å; F163-L180 HydrophobicContact CZ-CB 4.48Å; F163-L180 HydrophobicContact CZ-CD1 3.55Å; F163-L180 HydrophobicContact CZ-CG 3.76Å
164H95.1Very high92.2Very high15 Ų1545.9 Ų45.97%0.06925%0.251CS..EExtended strand (participates in β ladder)trans-60.1132.7167.6-67115.3000110.7C141 C144 Y148 Q152 K166 C167 V168C141-H164 VanDerWaalsContact CB-ND1 3.27Å; C141-H164 WeakPolarHBondContact CB-ND1 3.1Å; C144-H164 PolarHBondContact SG-ND1 3.13Å; Y148-H164 AromaticContact CD1-CD2 3.99Å; Y148-H164 AromaticContact CD1-CE1 3.77Å; Y148-H164 AromaticContact CD1-NE2 3.5Å; Y148-H164 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H164 AromaticContact CE1-CE1 3.94Å; Y148-H164 AromaticContact CE1-NE2 3.98Å; Q152-H164 PolarHBondContact OE1-CD2 3.26Å; Q152-H164 PolarHBondContact OE1-NE2 3.49Å; H164-K166 PolarHBondContact O-N 3.13Å; H164-C167 HydrophobicContact CB-CB 4.01Å; H164-C167 PolarHBondContact O-N 3.47Å; H164-V168 WeakPolarHBondContact O-CG1 3.39Å; H164-V168 PolarHBondContact O-N 3.46Å
165R93.6Very high92Very high113 Ų11349.4 Ų49.443%0.42627%0.27SS..Hα-helixtrans-49.1-46.4174.3-180-174.7167.8-173.8-3111.9L103 T153 F163 C167 D169L103-R165 HydrophobicContact CD2-CB 4.13Å; L103-R165 HydrophobicContact CD2-CG 4Å; T153-R165 PolarHBondContact O-N 3.4Å; F163-R165 PolarHBondContact O-N 3.4Å; R165-C167 PolarHBondContact O-N 3.1Å; R165-D169 VanDerWaalsContact CG-OD2 3.26Å; R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 IonicContact NE-OD2 2.66Å; R165-D169 PolarHBondContact NE-OD2 3.5Å; R165-D169 VanDerWaalsContact O-CB 3.26Å; R165-D169 WeakPolarHBondContact O-CB 3.34Å; R165-D169 PolarHBondContact O-N 3.21Å; R165-D169 VanDerWaalsContact O-OD1 3.06Å
166K94Very high91.8Very high184 Ų18450.7 Ų50.780%0.828%0.276SS*.Hα-helixtrans-64.4-26.4-179-64.9-174.6179.6-176.90113.8H164 P170H164-K166 PolarHBondContact O-N 3.13Å; K166-P170 VanDerWaalsContact O-CD 3.24Å; K166-P170 WeakPolarHBondContact O-CD 3.3Å; K166-P170 WeakPolarHBondContact O-CG 2.88Å
167C94.8Very high91.8Very high31 Ų3150.9 Ų50.921%0.20928%0.277CS..Hα-helixtrans-89-41.2-178.5-62.20000111.5I143 H164 R165 P170I143-C167 HydrophobicContact CB-CB 3.87Å; I143-C167 HydrophobicContact CD1-CB 3.95Å; I143-C167 HydrophobicContact CG2-CB 3.79Å; H164-C167 HydrophobicContact CB-CB 4.01Å; H164-C167 PolarHBondContact O-N 3.47Å; R165-C167 PolarHBondContact O-N 3.1Å; C167-P170 WeakPolarHBondContact O-CG 3.13Å
168V93.6Very high91.9Very high0 Ų050.8 Ų50.80%028%0.277CS..Hα-helixtrans-87-29.2-17374.80000113.8I143 R155 I157 F163 H164 W171 L172I143-V168 HydrophobicContact CD1-CB 3.84Å; I143-V168 HydrophobicContact CD1-CG2 4.15Å; R155-V168 HydrophobicContact CB-CG1 3.72Å; R155-V168 HydrophobicContact CG-CG1 4.16Å; I157-V168 HydrophobicContact CD1-CG2 3.9Å; I157-V168 HydrophobicContact CG1-CG2 4.4Å; F163-V168 HydrophobicContact CB-CB 3.7Å; F163-V168 HydrophobicContact CB-CG1 4.05Å; F163-V168 HydrophobicContact CB-CG2 4.13Å; F163-V168 HydrophobicContact CD2-CB 4.45Å; F163-V168 HydrophobicContact CD2-CG2 3.94Å; F163-V168 HydrophobicContact CG-CB 4.22Å; F163-V168 HydrophobicContact CG-CG2 4.14Å; H164-V168 WeakPolarHBondContact O-CG1 3.39Å; H164-V168 PolarHBondContact O-N 3.46Å; V168-W171 WeakPolarHBondContact O-CB 3.15Å; V168-W171 PolarHBondContact O-N 3.47Å; V168-L172 HydrophobicContact CG2-CD1 3.76Å; V168-L172 HydrophobicContact CG2-CG 3.94Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 WeakPolarHBondContact O-CG 3.17Å; V168-L172 PolarHBondContact O-N 2.91Å
169D93.1Very high92Very high29 Ų2949.5 Ų49.516%0.15527%0.267CS..Hα-helixtrans-56.1-54.9176.3-70.610.6000112R155 R165 W171 L172 L173R155-D169 IonicContact CZ-OD1 2.63Å; R155-D169 IonicContact NE-OD1 3.12Å; R155-D169 PolarHBondContact NE-OD1 3.49Å; R155-D169 VanDerWaalsContact NH2-CG 3.28Å; R155-D169 IonicContact NH2-OD1 3Å; R155-D169 PolarHBondContact NH2-OD1 3.49Å; R155-D169 IonicContact NH2-OD2 2.81Å; R155-D169 PolarHBondContact NH2-OD2 2.92Å; R165-D169 VanDerWaalsContact CG-OD2 3.26Å; R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 IonicContact NE-OD2 2.66Å; R165-D169 PolarHBondContact NE-OD2 3.5Å; R165-D169 VanDerWaalsContact O-CB 3.26Å; R165-D169 WeakPolarHBondContact O-CB 3.34Å; R165-D169 PolarHBondContact O-N 3.21Å; R165-D169 VanDerWaalsContact O-OD1 3.06Å; D169-W171 VanDerWaalsContact C-N 3.27Å; D169-W171 PolarHBondContact O-N 2.87Å; D169-L172 PolarHBondContact O-N 3.47Å; D169-L173 VanDerWaalsContact O-CG 3.28Å; D169-L173 WeakPolarHBondContact O-CG 3.33Å; D169-L173 PolarHBondContact O-N 3.21Å; D169-L173 VanDerWaalsContact O-N 3.11Å
170P92.8Very high91.9Very high74 Ų7452.1 Ų52.148%0.48128%0.278SS..Hα-helixtrans-64.9-31.3178.225.8-34.5000112.8K166 C167 A174K166-P170 VanDerWaalsContact O-CD 3.24Å; K166-P170 WeakPolarHBondContact O-CD 3.3Å; K166-P170 WeakPolarHBondContact O-CG 2.88Å; C167-P170 WeakPolarHBondContact O-CG 3.13Å; P170-A174 PolarHBondContact O-N 3.13Å
171W92.9Very high92Very high99 Ų9951.3 Ų51.338%0.37527%0.265SS..Hα-helixtrans-65.4-49.1176.4-180-85000112.1V168 D169 L173 A174 N175 T177 P179V168-W171 WeakPolarHBondContact O-CB 3.15Å; V168-W171 PolarHBondContact O-N 3.47Å; D169-W171 VanDerWaalsContact C-N 3.27Å; D169-W171 PolarHBondContact O-N 2.87Å; W171-L173 VanDerWaalsContact C-N 3.31Å; W171-L173 PolarHBondContact O-N 3.39Å; W171-A174 PolarHBondContact O-N 2.83Å; W171-A174 VanDerWaalsContact O-N 3.13Å; W171-N175 PolarHBondContact O-N 2.77Å; W171-T177 VanDerWaalsContact CD1-O 3.28Å; W171-T177 PolarHBondContact NE1-O 3.39Å; W171-P179 HydrophobicContact CD2-CG 4.23Å; W171-P179 HydrophobicContact CG-CG 4.24Å; W171-P179 HydrophobicContact CZ2-CB 4.44Å; W171-P179 HydrophobicContact CZ2-CG 4.36Å
172L91.8Very high91.9Very high0 Ų051.6 Ų51.60%027%0.268CS..Hα-helixtrans-70.1-27-178.7-72.7175.4000112.7L98 M101 I157 V168 D169 A174 H176 V185L98-L172 HydrophobicContact CD1-CB 4.4Å; L98-L172 HydrophobicContact CD2-CB 4Å; L98-L172 HydrophobicContact CD2-CD1 3.51Å; L98-L172 HydrophobicContact CD2-CG 4.39Å; L98-L172 HydrophobicContact CG-CB 4.45Å; M101-L172 HydrophobicContact CE-CD1 4.45Å; M101-L172 HydrophobicContact SD-CD1 4.27Å; I157-L172 HydrophobicContact CD1-CD1 4.23Å; I157-L172 HydrophobicContact CD1-CD2 4.5Å; I157-L172 HydrophobicContact CG1-CD1 4.36Å; V168-L172 HydrophobicContact CG2-CD1 3.76Å; V168-L172 HydrophobicContact CG2-CG 3.94Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 WeakPolarHBondContact O-CG 3.17Å; V168-L172 PolarHBondContact O-N 2.91Å; D169-L172 PolarHBondContact O-N 3.47Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 3.42Å; L172-H176 VanDerWaalsContact O-CA 3.3Å; L172-H176 WeakPolarHBondContact O-CA 3.42Å; L172-H176 PolarHBondContact O-N 3.2Å; L172-H176 VanDerWaalsContact O-N 3.13Å; L172-H176 PolarHBondContact O-ND1 3.05Å; L172-V185 HydrophobicContact CD1-CG1 4.49Å; L172-V185 HydrophobicContact CD2-CG1 3.81Å; L172-V185 HydrophobicContact CD2-CG2 4.15Å
173L88.6Confident91.8Very high46 Ų4650.2 Ų50.224%0.24126%0.261CS..Hα-helixtrans-68.9-24.3171.4-72.2171.3000113.3A94 E95 L98 D169 W171 H176A94-L173 HydrophobicContact CB-CD2 4.49Å; E95-L173 HydrophobicContact CG-CD2 3.49Å; E95-L173 VanDerWaalsContact CG-CD2 3.49Å; L98-L173 HydrophobicContact CD1-CD2 3.93Å; L98-L173 HydrophobicContact CD1-CG 3.91Å; D169-L173 VanDerWaalsContact O-CG 3.28Å; D169-L173 WeakPolarHBondContact O-CG 3.33Å; D169-L173 PolarHBondContact O-N 3.21Å; D169-L173 VanDerWaalsContact O-N 3.11Å; W171-L173 VanDerWaalsContact C-N 3.31Å; W171-L173 PolarHBondContact O-N 3.39Å; L173-H176 PolarHBondContact O-CE1 3.18Å
174A87Confident91.5Very high67 Ų6751.2 Ų51.255%0.55427%0.267SS*.Hα-helixtrans-99.4-45.2-178.300000113.3P170 W171 L172P170-A174 PolarHBondContact O-N 3.13Å; W171-A174 PolarHBondContact O-N 2.83Å; W171-A174 VanDerWaalsContact O-N 3.13Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 3.42Å
175N88.8Confident91.1Very high75 Ų7551.1 Ų51.140%0.40127%0.267SS..Hα-helixtrans-110.5-14.2-171.3-65.5-60.5000113.9W171 T177W171-N175 PolarHBondContact O-N 2.77Å; N175-T177 WeakPolarHBondContact O-CG2 3.46Å; N175-T177 PolarHBondContact O-N 3.33Å; N175-T177 PolarHBondContact O-OG1 3.48Å
176H89.6Confident90.7Very high36 Ų3648 Ų4817%0.16726%0.261CS..  trans56.49.2-179.9-41.3-60.6000115.6V90 A94 L172 L173 D184 V185 V186V90-H176 WeakPolarHBondContact CG1-NE2 3.44Å; A94-H176 WeakPolarHBondContact CB-ND1 3.45Å; L172-H176 VanDerWaalsContact O-CA 3.3Å; L172-H176 WeakPolarHBondContact O-CA 3.42Å; L172-H176 PolarHBondContact O-N 3.2Å; L172-H176 VanDerWaalsContact O-N 3.13Å; L172-H176 PolarHBondContact O-ND1 3.05Å; L173-H176 PolarHBondContact O-CE1 3.18Å; H176-D184 CarbonylContact O-C 3.58Å; H176-D184 WeakPolarHBondContact O-CA 3.47Å; H176-V185 WeakPolarHBondContact O-CG2 3.41Å; H176-V185 PolarHBondContact O-N 2.89Å; H176-V186 HydrophobicContact CB-CG2 4.12Å
177T92.3Very high90.3Very high30 Ų3044 Ų4418%0.18425%0.247CC..BIsolated β-bridgetrans-127.5145.9-169.945.70000111.5W171 N175 F183 D184 V191W171-T177 VanDerWaalsContact CD1-O 3.28Å; W171-T177 PolarHBondContact NE1-O 3.39Å; N175-T177 WeakPolarHBondContact O-CG2 3.46Å; N175-T177 PolarHBondContact O-N 3.33Å; N175-T177 PolarHBondContact O-OG1 3.48Å; T177-F183 CarbonylContact C-O 3.44Å; T177-F183 VanDerWaalsContact CA-O 3.26Å; T177-F183 WeakPolarHBondContact CA-O 3.42Å; T177-D184 HydrophobicContact CG2-CB 4.13Å; T177-V191 HydrophobicContact CG2-CG2 4.12Å
178C92.2Very high89.7Confident1 Ų149.7 Ų49.71%0.00727%0.271CS..  trans-66.2128.1174.1178.90000110.8I157 C159 L180 C181 L182 F183I157-C178 HydrophobicContact CD1-CB 4.03Å; C159-C178 VanDerWaalsContact SG-SG 3.63Å; C178-L180 PolarHBondContact O-N 3.31Å; C178-L180 VanDerWaalsContact O-N 3.13Å; C178-L180 PolarHBondContact SG-N 2.87Å; C178-C181 VanDerWaalsContact SG-SG 3.61Å; C178-L182 WeakPolarHBondContact O-CA 3.42Å; C178-L182 PolarHBondContact O-N 2.79Å; C178-F183 HydrophobicContact CB-CB 4.15Å; C178-F183 PolarHBondContact N-O 3.45Å
179P91.7Very high89.2Confident44 Ų4455.2 Ų55.229%0.28630%0.295SS..THydrogen-bonded Turntrans-58.4-24.6177.4-22.329.2000115.1I143 F163 W171I143-P179 HydrophobicContact CD1-CG 4.17Å; I143-P179 HydrophobicContact CG1-CG 4.14Å; F163-P179 HydrophobicContact CE1-CB 4.39Å; F163-P179 HydrophobicContact CE1-CG 4.13Å; F163-P179 HydrophobicContact CZ-CB 4.37Å; F163-P179 HydrophobicContact CZ-CG 4.07Å; W171-P179 HydrophobicContact CD2-CG 4.23Å; W171-P179 HydrophobicContact CG-CG 4.24Å; W171-P179 HydrophobicContact CZ2-CB 4.44Å; W171-P179 HydrophobicContact CZ2-CG 4.36Å
180L90.4Very high88.6Confident91 Ų9159 Ų5948%0.47631%0.312SS..THydrogen-bonded Turntrans-95.8-34.4-173.2-69.2172.9000113.7A142 H161 F163 C178A142-L180 HydrophobicContact CB-CD1 4.4Å; A142-L180 HydrophobicContact CB-CD2 3.84Å; A142-L180 HydrophobicContact CB-CG 4.33Å; H161-L180 HydrophobicContact CB-CD1 4.09Å; H161-L180 WeakPolarHBondContact CD2-CD1 3.24Å; F163-L180 HydrophobicContact CE1-CD1 3.93Å; F163-L180 HydrophobicContact CE1-CG 4.14Å; F163-L180 HydrophobicContact CE2-CD1 4.49Å; F163-L180 HydrophobicContact CZ-CB 4.48Å; F163-L180 HydrophobicContact CZ-CD1 3.55Å; F163-L180 HydrophobicContact CZ-CG 3.76Å; C178-L180 PolarHBondContact O-N 3.31Å; C178-L180 VanDerWaalsContact O-N 3.13Å; C178-L180 PolarHBondContact SG-N 2.87Å
181C91.4Very high87.8Confident31 Ų3158.2 Ų58.221%0.20931%0.305CS..THydrogen-bonded Turntrans-131.24.4-172.366.30000114.8C159 C178 F183 H190C159-C181 PolarHBondContact SG-SG 2.86Å; C178-C181 VanDerWaalsContact SG-SG 3.61Å; C181-F183 PolarHBondContact O-N 2.76Å; C181-F183 VanDerWaalsContact SG-CB 3.6Å; C181-H190 PolarHBondContact O-ND1 3.33Å
182L90.1Very high86.8Confident69 Ų6958.8 Ų58.836%0.36132%0.322SS..  trans54.826.6-179-65.580.2000113.6C178 D184 V191C178-L182 WeakPolarHBondContact O-CA 3.42Å; C178-L182 PolarHBondContact O-N 2.79Å; L182-D184 PolarHBondContact O-N 2.9Å; L182-V191 PolarHBondContact O-N 3.42Å
183F89.4Confident85.2Confident20 Ų2062.9 Ų62.99%0.08835%0.35CS..EExtended strand (participates in β ladder)trans-68.5120.1170.7-174.2-88.9000110S158 C159 T177 C178 C181 V185 E188 H190S158-F183 WeakPolarHBondContact OG-CE1 3.44Å; C159-F183 HydrophobicContact CB-CB 3.78Å; C159-F183 HydrophobicContact CB-CD1 4.22Å; C159-F183 HydrophobicContact CB-CD2 4.28Å; C159-F183 HydrophobicContact CB-CG 3.82Å; T177-F183 CarbonylContact C-O 3.44Å; T177-F183 VanDerWaalsContact CA-O 3.26Å; T177-F183 WeakPolarHBondContact CA-O 3.42Å; C178-F183 HydrophobicContact CB-CB 4.15Å; C178-F183 PolarHBondContact N-O 3.45Å; C181-F183 PolarHBondContact O-N 2.76Å; C181-F183 VanDerWaalsContact SG-CB 3.6Å; F183-V185 HydrophobicContact CD1-CG1 4.43Å; F183-E188 HydrophobicContact CE1-CG 4.43Å; F183-E188 HydrophobicContact CZ-CB 4.29Å; F183-E188 HydrophobicContact CZ-CG 3.82Å; F183-H190 AromaticContact CD2-CD2 3.63Å; F183-H190 AromaticContact CD2-CE1 3.86Å; F183-H190 AromaticContact CD2-NE2 3.52Å
184D88.9Confident83.8Confident20 Ų2068.7 Ų68.711%0.10737%0.369CS..EExtended strand (participates in β ladder)trans-80.2119175.6-173.8-34.1000109.9H176 T177 L182 V186 L187 E188 K189 V191H176-D184 CarbonylContact O-C 3.58Å; H176-D184 WeakPolarHBondContact O-CA 3.47Å; T177-D184 HydrophobicContact CG2-CB 4.13Å; L182-D184 PolarHBondContact O-N 2.9Å; D184-V186 VanDerWaalsContact C-N 3.29Å; D184-V186 PolarHBondContact O-N 3.47Å; D184-V186 WeakPolarHBondContact OD1-CA 3.23Å; D184-V186 WeakPolarHBondContact OD1-CB 3.2Å; D184-V186 PolarHBondContact OD1-N 3.06Å; D184-L187 HydrophobicContact CB-CB 4.08Å; D184-L187 PolarHBondContact OD1-N 3.46Å; D184-L187 VanDerWaalsContact OD2-CD1 3.24Å; D184-L187 WeakPolarHBondContact OD2-CD1 3.47Å; D184-L187 WeakPolarHBondContact OD2-CG 3.42Å; D184-E188 VanDerWaalsContact O-CA 3.26Å; D184-E188 WeakPolarHBondContact O-CA 3.18Å; D184-E188 PolarHBondContact O-N 2.99Å; D184-K189 WeakPolarHBondContact CB-O 3.08Å; D184-K189 PolarHBondContact N-O 3.49Å; D184-K189 PolarHBondContact O-N 2.99Å; D184-V191 HydrophobicContact CB-CG2 3.75Å
185V87Confident81.7Confident14 Ų1473.4 Ų73.49%0.08538%0.379CS..THydrogen-bonded Turntrans-77.9-14.8-176.6-54.40000113.3A97 M101 I157 L172 H176 F183A97-V185 HydrophobicContact CB-CG2 4.28Å; M101-V185 HydrophobicContact CE-CB 3.61Å; M101-V185 HydrophobicContact CE-CG1 3.68Å; M101-V185 HydrophobicContact CE-CG2 4.08Å; I157-V185 HydrophobicContact CG2-CG1 3.68Å; L172-V185 HydrophobicContact CD1-CG1 4.49Å; L172-V185 HydrophobicContact CD2-CG1 3.81Å; L172-V185 HydrophobicContact CD2-CG2 4.15Å; H176-V185 WeakPolarHBondContact O-CG2 3.41Å; H176-V185 PolarHBondContact O-N 2.89Å; F183-V185 HydrophobicContact CD1-CG1 4.43Å
186V85.3Confident79.6Confident48 Ų4878 Ų7829%0.29140%0.398SS..THydrogen-bonded Turntrans-92.4-41.9177.3178.20000110.4L93 A94 H176 D184L93-V186 HydrophobicContact CB-CG1 3.99Å; L93-V186 HydrophobicContact CB-CG2 4.44Å; L93-V186 HydrophobicContact CD1-CG1 4.1Å; A94-V186 HydrophobicContact CB-CG2 4.28Å; H176-V186 HydrophobicContact CB-CG2 4.12Å; D184-V186 VanDerWaalsContact C-N 3.29Å; D184-V186 PolarHBondContact O-N 3.47Å; D184-V186 WeakPolarHBondContact OD1-CA 3.23Å; D184-V186 WeakPolarHBondContact OD1-CB 3.2Å; D184-V186 PolarHBondContact OD1-N 3.06Å
187L83.8Confident77.2Confident98 Ų9881.8 Ų81.851%0.51343%0.426SS..THydrogen-bonded Turntrans-86.9-9.3177.7-62.3176.5000113.6D184 K189D184-L187 HydrophobicContact CB-CB 4.08Å; D184-L187 PolarHBondContact OD1-N 3.46Å; D184-L187 VanDerWaalsContact OD2-CD1 3.24Å; D184-L187 WeakPolarHBondContact OD2-CD1 3.47Å; D184-L187 WeakPolarHBondContact OD2-CG 3.42Å; L187-K189 HydrophobicContact CB-CD 4.07Å; L187-K189 HydrophobicContact CB-CG 3.78Å; L187-K189 VanDerWaalsContact CD1-CE 3.43Å; L187-K189 PolarHBondContact O-N 2.83Å
188E81.9Confident74.7Confident152 Ų15286.1 Ų86.171%0.7145%0.453SS*.THydrogen-bonded Turntrans53.536.9-177.9-154.2170-170.800112.9F183 D184F183-E188 HydrophobicContact CE1-CG 4.43Å; F183-E188 HydrophobicContact CZ-CB 4.29Å; F183-E188 HydrophobicContact CZ-CG 3.82Å; D184-E188 VanDerWaalsContact O-CA 3.26Å; D184-E188 WeakPolarHBondContact O-CA 3.18Å; D184-E188 PolarHBondContact O-N 2.99Å
189K83.5Confident72.5Confident115 Ų11590.4 Ų90.450%0.549%0.488SS..EExtended strand (participates in β ladder)trans-144.5156.8-177.871.4-174.7-178.3-174.40111.9D184 L187 V191D184-K189 WeakPolarHBondContact CB-O 3.08Å; D184-K189 PolarHBondContact N-O 3.49Å; D184-K189 PolarHBondContact O-N 2.99Å; L187-K189 HydrophobicContact CB-CD 4.07Å; L187-K189 HydrophobicContact CB-CG 3.78Å; L187-K189 VanDerWaalsContact CD1-CE 3.43Å; L187-K189 PolarHBondContact O-N 2.83Å; K189-V191 PolarHBondContact O-N 3.07Å
190H80.5Confident70.4Confident110 Ų11096.4 Ų96.451%0.50951%0.513SS..EExtended strand (participates in β ladder)trans-73.1127.3169.8-72.6-87.1000110.8C181 F183C181-H190 PolarHBondContact O-ND1 3.33Å; F183-H190 AromaticContact CD2-CD2 3.63Å; F183-H190 AromaticContact CD2-CE1 3.86Å; F183-H190 AromaticContact CD2-NE2 3.52Å
191V77.5Confident68.3Low56 Ų5697.6 Ų97.634%0.33953%0.526SS..PPolyproline II helixtrans-79125.7171.8-176.20000107.5T177 L182 D184 K189 S193T177-V191 HydrophobicContact CG2-CG2 4.12Å; L182-V191 PolarHBondContact O-N 3.42Å; D184-V191 HydrophobicContact CB-CG2 3.75Å; K189-V191 PolarHBondContact O-N 3.07Å; V191-S193 PolarHBondContact O-N 3.31Å; V191-S193 VanDerWaalsContact O-N 3.13Å
192P71.6Confident66.5Low112 Ų112102.8 Ų102.873%0.72756%0.556SS**PPolyproline II helixtrans-56.5122.5171.3-19.630.4000108.5R194P192-R194 PolarHBondContact O-N 2.94Å
193S58.4Low64.3Low85 Ų85107.5 Ų107.559%0.59458%0.576SS**PPolyproline II helixtrans-52.8116.7173.7-178.80000108.4V191 Q195V191-S193 PolarHBondContact O-N 3.31Å; V191-S193 VanDerWaalsContact O-N 3.13Å; S193-Q195 VanDerWaalsContact C-N 3.26Å; S193-Q195 PolarHBondContact O-N 3.16Å
194R58Low61.9Low169 Ų169112.1 Ų112.164%0.63861%0.611SS**  trans-67.792.7171.5-162.9179-152.3-146.16.3105.9P192 E196 N245P192-R194 PolarHBondContact O-N 2.94Å; R194-E196 PolarHBondContact O-N 2.99Å; R194-N245 PolarHBondContact NH1-OD1 3.34Å; R194-N245 PolarHBondContact NH2-OD1 2.81Å; R194-N245 VanDerWaalsContact NH2-OD1 3.15Å
195Q43.4Very low59.8Low166 Ų166115.2 Ų115.278%0.77664%0.639SS**  trans-50.5129.1156.4-83.3171.3-51.100105.9S193S193-Q195 VanDerWaalsContact C-N 3.26Å; S193-Q195 PolarHBondContact O-N 3.16Å
196E43.9Very low57.7Low171 Ų171122.9 Ų122.980%0.79968%0.677SS**  trans-37.7144.8164.3-114179.5109.600108.9R194 T198R194-E196 PolarHBondContact O-N 2.99Å; E196-T198 VanDerWaalsContact C-N 3.32Å; E196-T198 PolarHBondContact O-N 2.97Å
197P39.3Very low55.8Low115 Ų115125.4 Ų125.475%0.74770%0.696SS**  trans-51.4106.5171-13.725.6000106.7A199P197-A199 PolarHBondContact O-N 3.12Å
198T40.9Very low53.9Low122 Ų122126.4 Ų126.475%0.74871%0.708SS**  trans-54.5115.4174.9-32.80000103.9E196 E200E196-T198 VanDerWaalsContact C-N 3.32Å; E196-T198 PolarHBondContact O-N 2.97Å; T198-E200 PolarHBondContact O-N 2.73Å
199A45.6Very low51.8Low91 Ų91130.9 Ų130.975%0.75272%0.719SS**  trans-39.3127.7179.500000108.2P197P197-A199 PolarHBondContact O-N 3.12Å
200E47.8Very low49.8Very low170 Ų170131.1 Ų131.179%0.79473%0.732SS**  trans-46.2147.7179.1-53.9-155.712800109.5T198 V202T198-E200 PolarHBondContact O-N 2.73Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 2.89Å
201P45.1Very low48.3Very low116 Ų116131.4 Ų131.475%0.75375%0.747SS**  trans-54.9105.4172.9-1527.3000107E203P201-E203 PolarHBondContact O-N 3.4Å
202V54.7Low46.9Very low139 Ų139134.7 Ų134.784%0.84277%0.767SS**  trans-66.281.2160.137.50000103.9E200 S204E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 2.89Å; V202-S204 PolarHBondContact O-N 3.46Å
203E42.6Very low45.4Very low168 Ų168135.1 Ų135.179%0.78576%0.763SS**  trans-68.396.2175.5-165.5156.4141.300105.7P201 A205P201-E203 PolarHBondContact O-N 3.4Å; E203-A205 PolarHBondContact O-N 3.46Å
204S39.1Very low44.6Very low117 Ų117137.4 Ų137.482%0.81876%0.764SS**  trans-52.187167.2-166.20000109V202V202-S204 PolarHBondContact O-N 3.46Å
205A45.1Very low43.8Very low85 Ų85138.8 Ų138.870%0.70277%0.77SS**  trans-125.982.1166.700000107.8E203 S207E203-A205 PolarHBondContact O-N 3.46Å; A205-S207 PolarHBondContact O-N 2.82Å
206M44.4Very low44Very low176 Ų176136.9 Ų136.987%0.86777%0.77SS**  trans-54.6128.2164.2-164.7109.690.200109.7
207S45.1Very low44.2Very low101 Ų101134.4 Ų134.471%0.70677%0.768SS**  trans91161156.1-36.20000118.4A205A205-S207 PolarHBondContact O-N 2.82Å
208P43.3Very low44.6Very low118 Ų118136 Ų13677%0.76677%0.77SS**  -128163-54.429.5-11.9000113.5
209W38.5Very low44.8Very low246 Ų246134.5 Ų134.593%0.93277%0.771SS**  trans-33.3150.9-173.3-61.768.8000119.9
210P40.9Very low45.2Very low120 Ų120136.1 Ų136.178%0.77977%0.771SS**  trans-85.1141.5-165.735.2-33000112.6
211S49.2Very low45Very low116 Ų116135.1 Ų135.181%0.81177%0.771SS**  trans-117.4119.4164-62.70000108.9
212T47.4Very low44.7Very low126 Ų126135.6 Ų135.677%0.77378%0.777SS**  trans2.6128.5141.7-36.90000113.8
213D41.2Very low44.4Very low120 Ų120135.1 Ų135.164%0.64277%0.768SS**  -179.6158.464.7-155.3-5.8000111.7
214Q40.3Very low44.8Very low133 Ų133136 Ų13662%0.62177%0.772SS**  trans74.4114.5141.6-93.5168.258.300122.5
215R41.6Very low44.8Very low198 Ų198134 Ų13475%0.74777%0.769SS**  106.386116.1-163.6177.5-72.2-129.22.6118.5
216T48Very low44.7Very low126 Ų126141.2 Ų141.277%0.77378%0.778SS**  58.5158124.3540000122.7
217P47.5Very low44.6Very low119 Ų119144.7 Ų144.777%0.77378%0.782SS**  trans-117.5167.4-137.742.9-32.8000115.7
218N47.5Very low44.8Very low148 Ų148144.9 Ų144.979%0.79178%0.783SS**  trans-167.1102.9167.8325.3000108.2
219A45.3Very low45.3Very low91 Ų91147.2 Ų147.275%0.75279%0.787SS**  71117.991.800000114
220T54.3Low46.1Very low125 Ų125140.9 Ų140.977%0.76777%0.768SS**  133.298.5128.9-49.80000114.2
221L43.3Very low46.6Very low150 Ų150138.3 Ų138.379%0.78575%0.753SS**  trans38.2111.7133.6-78.6142.5000119.5
222S40.3Very low47Very low125 Ų125138.3 Ų138.387%0.87475%0.75SS**  trans-98.6126.9154.8-600000110.6
223I48.3Very low47.4Very low130 Ų130137.8 Ų137.867%0.66775%0.746SS**  trans-121.9147.4162.9-62.9177.8000106.8
224H51.1Low48.1Very low187 Ų187134 Ų13487%0.86673%0.729SS**  trans90.2116.6-177-52.288000112.3
225G38.2Very low48.5Very low73 Ų73132.3 Ų132.375%0.75372%0.724SS**  cis143.8132.41300000107
226R43.7Very low49Very low238 Ų238125.8 Ų125.890%0.89871%0.713SS**  trans156.7100.9146.1-165.5172.3-68.6-144.11.4108.9S228R226-S228 PolarHBondContact O-N 3.41Å
227R42.2Very low49.2Very low248 Ų248122.2 Ų122.294%0.93670%0.696SS**  trans-77.4111.4166.9-72.2-179.3-163.1-171.44108
228S49.4Very low49.5Very low106 Ų106121.9 Ų121.974%0.74168%0.683SS**  trans-86.1125.3156.7-91.50000108.2R226 E230R226-S228 PolarHBondContact O-N 3.41Å; S228-E230 PolarHBondContact O-N 3.26Å
229I52.8Low49.6Very low166 Ų166121.4 Ų121.485%0.85168%0.675SS**  trans-71108.1178.2-62.5167.6000107.3
230E54.9Low49.8Very low114 Ų114120.2 Ų120.253%0.53367%0.666SS.*  trans-77.8132171-74.8-173140.800109.8S228 K238S228-E230 PolarHBondContact O-N 3.26Å; E230-K238 VanDerWaalsContact CD-NZ 3.33Å; E230-K238 IonicContact OE1-NZ 2.76Å; E230-K238 PolarHBondContact OE1-NZ 3.45Å; E230-K238 IonicContact OE2-NZ 3.97Å; E230-K238 PolarHBondContact OE2-NZ 2.73Å; E230-K238 VanDerWaalsContact OE2-NZ 3.12Å
231S52.2Low49.7Very low66 Ų66121.4 Ų121.446%0.46266%0.663SS.*  trans-59.2142.4176.9155.80000111.8V233 S234S231-V233 PolarHBondContact O-N 3.07Å; S231-V233 PolarHBondContact OG-N 3.3Å; S231-S234 PolarHBondContact O-N 2.87Å; S231-S234 PolarHBondContact O-OG 2.89Å
232P57.2Low49.9Very low116 Ų116119.3 Ų119.375%0.75366%0.656SS**Hα-helixtrans-59.9-12179.222-31.3000114.4
233V57Low50.2Low114 Ų114119.8 Ų119.869%0.69165%0.647SS**Hα-helixtrans-78.8-29174.7-177.10000112.2S231 A237S231-V233 PolarHBondContact O-N 3.07Å; S231-V233 PolarHBondContact OG-N 3.3Å; V233-A237 PolarHBondContact O-N 3.11Å
234S55.1Low50.2Low40 Ų40117 Ų11728%0.2864%0.644SS.*Hα-helixtrans-81.3-25.1-178.668.50000113.3S231 A237 K238S231-S234 PolarHBondContact O-N 2.87Å; S231-S234 PolarHBondContact O-OG 2.89Å; S234-A237 PolarHBondContact O-N 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.34Å; S234-K238 PolarHBondContact O-N 2.66Å; S234-K238 VanDerWaalsContact O-N 3.1Å
235L47.8Very low50Low98 Ų98113.3 Ų113.351%0.51363%0.63SS.*Hα-helixtrans-72.4-37.5177.8-141.678.6000111.9K238 Q239L235-K238 PolarHBondContact O-N 3.26Å; L235-Q239 PolarHBondContact O-N 2.83Å; L235-Q239 VanDerWaalsContact O-N 3.13Å
236A52.6Low50.7Low62 Ų62115.6 Ų115.651%0.51262%0.624SS.*Hα-helixtrans-68.9-34.2174.400000112.4A240A236-A240 PolarHBondContact O-N 3.45Å
237A52.5Low51Low51 Ų51108.1 Ų108.142%0.42160%0.602SS.*Hα-helixtrans-68.5-41.4174.600000112.2V233 S234 Q239 A240 Q241V233-A237 PolarHBondContact O-N 3.11Å; S234-A237 PolarHBondContact O-N 3.32Å; A237-Q239 PolarHBondContact O-N 3.12Å; A237-A240 PolarHBondContact O-N 3Å; A237-Q241 PolarHBondContact O-N 3.34Å; A237-Q241 PolarHBondContact O-OE1 3.26Å
238K54.8Low50.8Low112 Ų112106 Ų10649%0.48759%0.594SS.*Hα-helixtrans-66.7-34176.4-73.8175.1-176.91770112.8E230 S234 L235E230-K238 VanDerWaalsContact CD-NZ 3.33Å; E230-K238 IonicContact OE1-NZ 2.76Å; E230-K238 PolarHBondContact OE1-NZ 3.45Å; E230-K238 IonicContact OE2-NZ 3.97Å; E230-K238 PolarHBondContact OE2-NZ 2.73Å; E230-K238 VanDerWaalsContact OE2-NZ 3.12Å; S234-K238 WeakPolarHBondContact O-CG 3.34Å; S234-K238 PolarHBondContact O-N 2.66Å; S234-K238 VanDerWaalsContact O-N 3.1Å; L235-K238 PolarHBondContact O-N 3.26Å
239Q49.6Very low50.6Low137 Ų137105.7 Ų105.764%0.6459%0.592SS**Hα-helixtrans-75.7-27.1176.9-78.3-178.7-3300113.8L235 A237L235-Q239 PolarHBondContact O-N 2.83Å; L235-Q239 VanDerWaalsContact O-N 3.13Å; A237-Q239 PolarHBondContact O-N 3.12Å
240A49.1Very low50.2Low66 Ų66101.5 Ų101.555%0.54558%0.577SS.*Hα-helixtrans-74.7-27.3177.900000113.4A236 A237 T242A236-A240 PolarHBondContact O-N 3.45Å; A237-A240 PolarHBondContact O-N 3Å; A240-T242 PolarHBondContact O-N 3.14Å
241Q51.5Low49.7Very low151 Ų15199.6 Ų99.671%0.70658%0.577SS**Hα-helixtrans-71.3-25.4-179.2-116104.832.500113.8A237A237-Q241 PolarHBondContact O-N 3.34Å; A237-Q241 PolarHBondContact O-OE1 3.26Å
242T48.6Very low49.3Very low106 Ų106105.2 Ų105.265%0.6560%0.595SS**THydrogen-bonded Turntrans-80.1-21.5-177.1-50.60000113.2A240A240-T242 PolarHBondContact O-N 3.14Å
243I46.6Very low48.8Very low135 Ų135103.6 Ų103.669%0.69259%0.587SS**THydrogen-bonded Turntrans-89.3-18.9-175.9-60.7175.3000112.2
244A47Very low48Very low71 Ų71108.3 Ų108.359%0.58759%0.594SS**THydrogen-bonded Turntrans-77.6-18.8-178.100000114.6
245N47.4Very low47.5Very low109 Ų109112.7 Ų112.758%0.58362%0.618SS**THydrogen-bonded Turntrans-86-3.9-174.1-115.420.7000114.7R194R194-N245 PolarHBondContact NH1-OD1 3.34Å; R194-N245 PolarHBondContact NH2-OD1 2.81Å; R194-N245 VanDerWaalsContact NH2-OD1 3.15Å
246I53.7Low47.2Very low121 Ų121114.9 Ų114.962%0.62164%0.636SS**SBendtrans-101.2-15.2-176.6-59.5172.8000112.5
247N48.6Very low46.6Very low81 Ų81116.5 Ų116.543%0.43365%0.649SS.*SBendtrans-95-5.8-169.2-138.79.7000114.8
248W39Very low45.9Very low203 Ų203117 Ų11777%0.76966%0.66SS**SBendtrans-85.9-23.7-176.9-151.9-8.5000113.1
249S43.9Very low45.3Very low100 Ų100118.2 Ų118.270%0.69968%0.676SS**THydrogen-bonded Turntrans-82.9-10.6-179.255.90000115
250S44.6Very low45Very low78 Ų78122.1 Ų122.155%0.54569%0.687SS.*THydrogen-bonded Turntrans-99.1-0.3-177.6-61.90000114.9
251S45.7Very low44.9Very low75 Ų75123.3 Ų123.352%0.52470%0.697SS.*SBendtrans-99.3-1.5-174.3-48.80000114.1
252H43.5Very low44.5Very low184 Ų184122.8 Ų122.885%0.85270%0.699SS**SBendtrans-111.716.9-173.9-115.4-120.3000114.7
253S46.9Very low44.3Very low82 Ų82126.6 Ų126.657%0.57371%0.707SS**SBendtrans-120.615.5-178.549.40000115
254Y40.2Very low44.3Very low213 Ų213126.8 Ų126.884%0.83571%0.714SS**  trans-122.459171.2-73.4-83000111.7
255V44Very low44.4Very low131 Ų131128 Ų12879%0.79471%0.714SS**  trans-13280.9161.7-177.10000106
256T41.5Very low44.7Very low144 Ų144136.1 Ų136.188%0.88375%0.745SS**SBendtrans170.966.9165.132.50000110.5
257A40.1Very low44.3Very low96 Ų96136.9 Ų136.979%0.79375%0.751SS**  trans-170.650.9157.800000110.1T259A257-T259 PolarHBondContact O-N 3.41Å
258G37.1Very low44Very low62 Ų62139.8 Ų139.864%0.63977%0.768SS**  trans-87.693.5163.800000107.7Y260G258-Y260 WeakPolarHBondContact O-CD2 3.14Å; G258-Y260 PolarHBondContact O-N 3.41Å; G258-Y260 VanDerWaalsContact O-N 3.09Å
259T43.5Very low44.3Very low137 Ų137136.3 Ų136.384%0.8477%0.768SS**  trans-64.7107.3174.7-14.60000108.6A257 A261A257-T259 PolarHBondContact O-N 3.41Å; T259-A261 PolarHBondContact O-N 3.47Å
260Y42.1Very low44.4Very low220 Ų220138.5 Ų138.586%0.86377%0.772SS**  trans-66.895.3165.1-67.6-101.4000107.8G258G258-Y260 WeakPolarHBondContact O-CD2 3.14Å; G258-Y260 PolarHBondContact O-N 3.41Å; G258-Y260 VanDerWaalsContact O-N 3.09Å
261A47.3Very low44.3Very low91 Ų91142.3 Ų142.375%0.75279%0.786SS**  trans-111.485.6164.400000108T259T259-A261 PolarHBondContact O-N 3.47Å
262N44.2Very low44.2Very low139 Ų139146.7 Ų146.774%0.74380%0.803SS**  trans-67122.1158.5-73.9-59.5000107.9
263F44.5Very low44.3Very low187 Ų187144.1 Ų144.182%0.8280%0.8SS**  trans-141.294.9152-116.3-89.7000107.9T265F263-T265 HydrophobicContact CD1-CG2 4.01Å; F263-T265 HydrophobicContact CE1-CG2 3.96Å
264V46.7Very low44.1Very low138 Ų138148.8 Ų148.884%0.83682%0.817SS**  trans-91.2117154.4174.60000105.1
265T48.4Very low44.4Very low97 Ų97143.5 Ų143.560%0.59582%0.816SS**  trans-142.5113.3160.238.10000107.7F263F263-T265 HydrophobicContact CD1-CG2 4.01Å; F263-T265 HydrophobicContact CE1-CG2 3.96Å
266F53.8Low44.5Very low280 Ų280144.6 Ų144.6100%1.22882%0.818SS**  trans38.80155-68.3-84.4000120

Retrieved 266 of 266 residues in 36.7 ms (Link to these results)