A0A096MZN4_PAPAN Loading...

Retinoic acid receptor responder 1

AlphaFold DB , UniProt , Accession A0A096MZN4, Species PAPAN (Papio anubis, Olive baboon), Gene RARRES1, Length 293 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
1M44.8Very low51.8Low248 Ų248165.9 Ų165.9100%1.22287%0.874SS**  0109.90-75-173.5175.300108.5
2Q46.9Very low50.8Low192 Ų192172.3 Ų172.390%0.89788%0.878SS**  trans-121.7133.2173.2-84.1-179.6-21.500107.6
3P54.5Low50Low131 Ų131168.8 Ų168.885%0.85188%0.879SS**  trans-88.9126.2177.629.5-23.4000111.6
4R46.1Very low49.1Very low249 Ų249161.8 Ų161.894%0.9487%0.868SS**  trans-73.9129.4163.1-97179169.4174-2.5110.3
5R51.5Low48.6Very low236 Ų236159.7 Ų159.789%0.89187%0.866SS**  trans-149.1103.3153.5-74.4-165.8177.7179.6-1108.3
6Q57.3Low47.8Very low183 Ų183154 Ų15486%0.85586%0.857SS**  85.9124.597.6-86.2-167.5-6.500113.9
7P57.9Low47Very low119 Ų119154.5 Ų154.577%0.77386%0.858SS**PPolyproline II helixtrans-84.9155.3-173.234.5-35.3000113.3
8P60.5Low47Very low120 Ų120152.3 Ų152.378%0.77985%0.851SS**PPolyproline II helixtrans-78.2153.1178.330.7-32.6000113
9P50.8Low47.1Very low125 Ų125156.5 Ų156.581%0.81285%0.853SS**PPolyproline II helixtrans-86.4155.1-170.834.2-33.9000114.1
10A47.8Very low46.9Very low90 Ų90155.2 Ų155.274%0.74485%0.852SS**PPolyproline II helixtrans-73.2143.9175.400000112.6
11P51.5Low46.7Very low132 Ų132154.3 Ų154.386%0.85785%0.852SS**PPolyproline II helixtrans-79.5134.9175.228.8-29.7000112.3
12R40.3Very low46.8Very low242 Ų242146.8 Ų146.891%0.91383%0.829SS**PPolyproline II helixtrans-75.4148.4179.3-72.2174.1169.6174-4.2112.5
13S39.6Very low46.9Very low127 Ų127143.2 Ų143.289%0.88882%0.822SS**PPolyproline II helixtrans-58.7137.6163.743.60000113.5
14G37.8Very low46.3Very low71 Ų71145.5 Ų145.573%0.73283%0.826SS**  trans-146.4165.6170.900000111.2
15P42.1Very low46.3Very low130 Ų130141.5 Ų141.584%0.84482%0.823SS**  trans-100.2150.9-136.436.5-34.2000116.2
16G34.8Very low46Very low69 Ų69134.5 Ų134.571%0.71182%0.815SS**  58.1113.9127.800000122.1
17N35Very low45.3Very low163 Ų163133.4 Ų133.487%0.87281%0.814SS**  trans81.5158.2144.3-73.2-9.9000120.3
18P46.1Very low44.7Very low115 Ų115135.1 Ų135.175%0.74782%0.817SS**  cis-126.5169.3-14.125.1-2.8000114.1
19R48.9Very low44Very low232 Ų232136.8 Ų136.888%0.87582%0.818SS**PPolyproline II helixtrans-65139.2172.1-67.6172.1173.1170.2-2.9111.5T21R19-T21 PolarHBondContact O-N 3.47Å
20P44.6Very low43.8Very low130 Ų130138.5 Ų138.584%0.84482%0.82SS**PPolyproline II helixtrans-76.2120166.828.7-29.7000110.3
21T41.8Very low43.8Very low137 Ų137142.6 Ų142.684%0.8483%0.828SS**PPolyproline II helixtrans-64.4124.5169.732.90000110.4R19R19-T21 PolarHBondContact O-N 3.47Å
22A46.7Very low43.3Very low90 Ų90140 Ų14074%0.74482%0.818SS**PPolyproline II helixtrans-71.6139.4169.100000109.9
23P48.3Very low43.3Very low116 Ų116134.4 Ų134.475%0.75381%0.813SS**PPolyproline II helixtrans-76.6126.917430.4-30.3000110L25P23-L25 PolarHBondContact O-N 3.44Å
24L43.3Very low43.5Very low179 Ų179134.9 Ų134.994%0.93781%0.81SS**  trans-64.2105.7165.5-92.9133.8000109
25L44.9Very low43.9Very low165 Ų165137.5 Ų137.586%0.86481%0.812SS**  trans-85.6113.6164.9-107.4143.2000108.2P23 L27P23-L25 PolarHBondContact O-N 3.44Å; L25-L27 PolarHBondContact O-N 2.71Å
26A46.3Very low43.8Very low89 Ų89135.5 Ų135.574%0.73681%0.806SS**  trans-63.4126.8177.400000110.9
27L42.1Very low44.1Very low160 Ų160138 Ų13884%0.83881%0.809SS**  trans-84.2107.6175.6-152.784.7000108.7L25L25-L27 PolarHBondContact O-N 2.71Å
28L45.9Very low44.7Very low156 Ų156135.5 Ų135.582%0.81781%0.812SS**  trans-83.6111.3167.7-98.6125.5000109.2L30L28-L30 PolarHBondContact O-N 3.25Å
29L45.7Very low44.2Very low154 Ų154133.1 Ų133.181%0.80681%0.807SS**  trans-72.9106.8169.7-83153.9000109.7
30L46.7Very low43.6Very low162 Ų162127.7 Ų127.785%0.84881%0.805SS**  trans-102104.8163.1-76.8164.1000108.4L28 A32L28-L30 PolarHBondContact O-N 3.25Å; L30-A32 PolarHBondContact O-N 3.25Å
31L46.6Very low43.1Very low176 Ų176133.3 Ų133.392%0.92181%0.81SS**  trans-75.3106.8166.6-85148.8000108.4
32A42.8Very low43.3Very low78 Ų78132.7 Ų132.765%0.64581%0.811SS**  trans-113.7133.9165.200000109.2L30 V34L30-A32 PolarHBondContact O-N 3.25Å; A32-V34 PolarHBondContact O-N 3.2Å
33P39.6Very low42.9Very low124 Ų124132.1 Ų132.181%0.80581%0.806SS**  trans-77.9113.8179.431-29.5000108.9V35P33-V35 PolarHBondContact O-N 2.64Å
34V43.9Very low42.7Very low136 Ų136135.8 Ų135.882%0.82481%0.813SS**  trans-91.4103.9169.8-177.60000108.1A32 A36A32-V34 PolarHBondContact O-N 3.2Å; V34-A36 PolarHBondContact O-N 2.97Å
35V45.5Very low42.4Very low127 Ų127133.2 Ų133.277%0.7780%0.8SS**PPolyproline II helixtrans-61.4124.5165.2175.40000108.3P33P33-V35 PolarHBondContact O-N 2.64Å
36A40.1Very low42.5Very low87 Ų87130.6 Ų130.672%0.71979%0.793SS**PPolyproline II helixtrans-73.2128.5176.200000110.6V34V34-A36 PolarHBondContact O-N 2.97Å
37P41.6Very low42.6Very low122 Ų122128.9 Ų128.979%0.79278%0.779SS**PPolyproline II helixtrans-82127163.631.5-26.2000108.8G39P37-G39 PolarHBondContact O-N 3.43Å
38A46.5Very low42.9Very low111 Ų111128.5 Ų128.592%0.91777%0.773SS**PPolyproline II helixtrans-65.2117163.700000108.5
39G36.2Very low43Very low64 Ų64125.4 Ų125.466%0.6676%0.762SS**  trans-167.1107.4-179.800000112.7P37P37-G39 PolarHBondContact O-N 3.43Å
40S37.5Very low43.2Very low119 Ų119125.2 Ų125.283%0.83276%0.757SS**  trans46.187.1157.862.30000118.1S42S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.1Å
41R33.2Very low42.9Very low248 Ų248125.6 Ų125.694%0.93676%0.76SS**  trans-70.893.1150-79.4-178.9175.6175.7-1.4108.4A43R41-A43 VanDerWaalsContact C-N 3.27Å; R41-A43 PolarHBondContact O-N 3.05Å
42S45.5Very low43.1Very low124 Ų124120.5 Ų120.587%0.86774%0.743SS**  trans-83.487.8146.8-148.90000105.4S40S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.1Å
43A38.1Very low43.9Very low77 Ų77120.1 Ų120.164%0.63675%0.747SS**  trans-85.4109.5170.700000106.6R41 D45R41-A43 VanDerWaalsContact C-N 3.27Å; R41-A43 PolarHBondContact O-N 3.05Å; A43-D45 VanDerWaalsContact C-N 3.32Å; A43-D45 PolarHBondContact O-N 2.88Å
44E45.3Very low45.4Very low193 Ų193116 Ų11690%0.90272%0.719SS**  trans-54.2107150.1-79.9174.4129.300106.3P46E44-P46 WeakPolarHBondContact O-CD 3.13Å
45D35.8Very low47.3Very low125 Ų125112.7 Ų112.767%0.66870%0.701SS**  trans-69.5112.4176-159.211.1000107.4A43 A47A43-D45 VanDerWaalsContact C-N 3.32Å; A43-D45 PolarHBondContact O-N 2.88Å; D45-A47 PolarHBondContact O-N 3.13Å
46P48.4Very low49.3Very low110 Ų110115.5 Ų115.571%0.71470%0.698SS**  trans-69.6106.1172.627.9-28000106.3E44 Q48E44-P46 WeakPolarHBondContact O-CD 3.13Å; P46-Q48 PolarHBondContact O-N 3.26Å
47A47.7Very low51.7Low53 Ų53118.1 Ų118.144%0.43869%0.689SS.*  trans-24.8105.6176.400000111.3D45D45-A47 PolarHBondContact O-N 3.13Å
48Q48.9Very low54.1Low153 Ų153113.2 Ų113.272%0.71566%0.656SS**  trans-59.1139.2-177.1-155.4155.8-18.100108.1P46 E50P46-Q48 PolarHBondContact O-N 3.26Å; Q48-E50 PolarHBondContact O-N 2.99Å
49P46.7Very low56.4Low90 Ų90108.9 Ų108.958%0.58462%0.617SS**  trans-60.4113.8175.3-9.121.4000107.4D51P49-D51 PolarHBondContact O-N 3.22Å; P49-D51 VanDerWaalsContact O-N 3.16Å
50E49.8Very low59.2Low150 Ų150108.6 Ų108.670%0.70160%0.599SS**  trans-66.5115.3163.9-77-161.8146.500107Q48 A52Q48-E50 PolarHBondContact O-N 2.99Å; E50-A52 HydrophobicContact CB-CB 4.27Å; E50-A52 PolarHBondContact O-N 2.94Å
51D41.1Very low61.9Low170 Ų170103.1 Ų103.191%0.90956%0.56SS**  trans-74.87.6170.4-14613.5000111.2P49 G53P49-D51 PolarHBondContact O-N 3.22Å; P49-D51 VanDerWaalsContact O-N 3.16Å; D51-G53 PolarHBondContact O-N 2.93Å
52A50.4Low64.9Low69 Ų6991.3 Ų91.357%0.5752%0.516SS*.SBendtrans-65103.6161.400000107.1E50 V54E50-A52 HydrophobicContact CB-CB 4.27Å; E50-A52 PolarHBondContact O-N 2.94Å; A52-V54 PolarHBondContact O-N 3.01Å; A52-V54 VanDerWaalsContact O-N 3.1Å
53G60.6Low67.4Low71 Ų7185.4 Ų85.473%0.73247%0.474SS*.  trans-35.4118-172.800000112.5D51D51-G53 PolarHBondContact O-N 2.93Å
54V70.1Confident70.1Confident36 Ų3683.8 Ų83.822%0.21845%0.452CS..  trans-49.1131.5-174.8-178.70000109.7A52 R56 L58 L59 A91A52-V54 PolarHBondContact O-N 3.01Å; A52-V54 VanDerWaalsContact O-N 3.1Å; V54-R56 PolarHBondContact O-N 2.86Å; V54-L58 HydrophobicContact CG1-CD2 4.49Å; V54-L59 HydrophobicContact CB-CD1 4.24Å; V54-L59 HydrophobicContact CB-CD2 4.31Å; V54-L59 HydrophobicContact CB-CG 4.23Å; V54-L59 HydrophobicContact CG1-CD1 4.2Å; V54-L59 HydrophobicContact CG1-CD2 3.56Å; V54-L59 HydrophobicContact CG1-CG 3.64Å; V54-A91 HydrophobicContact CB-CB 4.42Å; V54-A91 HydrophobicContact CG1-CB 3.46Å; V54-A91 VanDerWaalsContact CG1-CB 3.46Å; V54-A91 HydrophobicContact CG2-CB 4.06Å
55P84.6Confident72.6Confident67 Ų6774.6 Ų74.644%0.43541%0.409SS..  trans-53.7117.5179.9-27.134.1000110.5R57 L58 L59P55-R57 PolarHBondContact O-N 3.3Å; P55-L58 HydrophobicContact CB-CB 4.14Å; P55-L58 WeakPolarHBondContact O-CA 3.49Å; P55-L58 WeakPolarHBondContact O-CB 3.27Å; P55-L58 PolarHBondContact O-N 3.14Å; P55-L59 PolarHBondContact O-N 2.87Å
56R88.2Confident75.6Confident187 Ų18768.7 Ų68.771%0.70638%0.377SS*.Hα-helixtrans-51.9-36.6-178.2-174.9177.6-177.9-178.61.3111.9V54 L58 L59 Q60V54-R56 PolarHBondContact O-N 2.86Å; R56-L58 PolarHBondContact O-N 2.9Å; R56-L59 PolarHBondContact O-N 2.69Å; R56-Q60 WeakPolarHBondContact O-CG 3.35Å; R56-Q60 PolarHBondContact O-N 2.69Å
57R89.1Confident77.9Confident141 Ų14163.9 Ų63.953%0.53235%0.345SS..Hα-helixtrans-59-43.3174.6-174.7-179.3176.3-1750.4112.2P55 Q60 Q61 V210 S243P55-R57 PolarHBondContact O-N 3.3Å; R57-Q60 PolarHBondContact O-N 3.12Å; R57-Q61 VanDerWaalsContact O-CB 3.3Å; R57-Q61 WeakPolarHBondContact O-CB 3.3Å; R57-Q61 PolarHBondContact O-N 2.81Å; R57-V210 PolarHBondContact NH2-O 3.46Å; R57-V210 VanDerWaalsContact NH2-O 3.09Å; R57-S243 PolarHBondContact NH2-OG 2.78Å; R57-S243 VanDerWaalsContact NH2-OG 3.09Å
58L92.3Very high80.3Confident19 Ų1961.8 Ų61.810%0.09933%0.327CS..Hα-helixtrans-65.4-41.8179.4178.661.1000111.5V54 P55 R56 Q61 A62 A91 I93 V101 F132V54-L58 HydrophobicContact CG1-CD2 4.49Å; P55-L58 HydrophobicContact CB-CB 4.14Å; P55-L58 WeakPolarHBondContact O-CA 3.49Å; P55-L58 WeakPolarHBondContact O-CB 3.27Å; P55-L58 PolarHBondContact O-N 3.14Å; R56-L58 PolarHBondContact O-N 2.9Å; L58-Q61 PolarHBondContact O-N 3.36Å; L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 2.81Å; L58-A91 HydrophobicContact CD2-CB 3.83Å; L58-I93 HydrophobicContact CD2-CD1 4.35Å; L58-V101 HydrophobicContact CD1-CG2 4.05Å; L58-V101 HydrophobicContact CD2-CG2 4Å; L58-V101 HydrophobicContact CG-CG2 3.86Å; L58-F132 HydrophobicContact CD1-CD2 4.48Å; L58-F132 HydrophobicContact CD1-CE2 4.26Å
59L95.1Very high82.6Confident20 Ų2055.6 Ų55.611%0.10530%0.297CS..Hα-helixtrans-63.9-44.1176-63.1-178000111.9V54 P55 R56 Q61 A62 A63 V86 V101V54-L59 HydrophobicContact CB-CD1 4.24Å; V54-L59 HydrophobicContact CB-CD2 4.31Å; V54-L59 HydrophobicContact CB-CG 4.23Å; V54-L59 HydrophobicContact CG1-CD1 4.2Å; V54-L59 HydrophobicContact CG1-CD2 3.56Å; V54-L59 HydrophobicContact CG1-CG 3.64Å; P55-L59 PolarHBondContact O-N 2.87Å; R56-L59 PolarHBondContact O-N 2.69Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.05Å; L59-A62 PolarHBondContact O-N 2.88Å; L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 2.84Å; L59-V86 HydrophobicContact CB-CG1 3.98Å; L59-V86 HydrophobicContact CD1-CG1 4.49Å; L59-V101 HydrophobicContact CD2-CG1 3.61Å
60Q94.3Very high85Confident58 Ų5853 Ų5327%0.27128%0.277SS..Hα-helixtrans-60.5-42.9174.4-72.6179.6-10.900111.5R56 R57 A63 R64 V86R56-Q60 WeakPolarHBondContact O-CG 3.35Å; R56-Q60 PolarHBondContact O-N 2.69Å; R57-Q60 PolarHBondContact O-N 3.12Å; Q60-A63 PolarHBondContact O-N 2.75Å; Q60-R64 VanDerWaalsContact O-CG 3.3Å; Q60-R64 WeakPolarHBondContact O-CG 3.35Å; Q60-R64 PolarHBondContact O-N 3.03Å; Q60-V86 HydrophobicContact CG-CG2 4.04Å
61Q94.4Very high87.3Confident5 Ų546 Ų462%0.02324%0.244CC..Hα-helixtrans-61.9-45.6178.1-1725633.200112R57 L58 L59 A63 R64 A65 F132 T207 S211R57-Q61 VanDerWaalsContact O-CB 3.3Å; R57-Q61 WeakPolarHBondContact O-CB 3.3Å; R57-Q61 PolarHBondContact O-N 2.81Å; L58-Q61 PolarHBondContact O-N 3.36Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.05Å; Q61-A63 PolarHBondContact O-N 2.85Å; Q61-R64 PolarHBondContact O-N 2.8Å; Q61-A65 WeakPolarHBondContact O-CB 3.44Å; Q61-A65 PolarHBondContact O-N 2.77Å; Q61-F132 HydrophobicContact CG-CE1 4.4Å; Q61-F132 HydrophobicContact CG-CZ 4.11Å; Q61-T207 VanDerWaalsContact NE2-CG2 3.25Å; Q61-S211 VanDerWaalsContact CD-O 3.23Å; Q61-S211 PolarHBondContact NE2-O 3.3Å; Q61-S211 PolarHBondContact OE1-O 3.31Å
62A96.6Very high89.9Confident0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-60.1-45.5174.700000111.9L58 L59 R64 A65 A66 V101 V103 V130 F132L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 2.81Å; L59-A62 PolarHBondContact O-N 2.88Å; A62-R64 VanDerWaalsContact C-N 3.34Å; A62-R64 PolarHBondContact O-N 2.83Å; A62-A65 PolarHBondContact O-N 2.86Å; A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 2.73Å; A62-V101 HydrophobicContact CB-CB 3.81Å; A62-V101 HydrophobicContact CB-CG1 3.59Å; A62-V101 HydrophobicContact CB-CG2 4.31Å; A62-V103 HydrophobicContact CB-CG1 4.07Å; A62-V130 HydrophobicContact CB-CB 4.08Å; A62-V130 HydrophobicContact CB-CG1 4.48Å; A62-V130 HydrophobicContact CB-CG2 4.04Å; A62-F132 HydrophobicContact CB-CE2 4.06Å; A62-F132 HydrophobicContact CB-CZ 4.38Å
63A97.3Very high92Very high0 Ų044.6 Ų44.60%021%0.213CC..Hα-helixtrans-61.5-41.617900000112.2L59 Q60 Q61 A66 L67 L83 V86 V103 F105L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 2.84Å; Q60-A63 PolarHBondContact O-N 2.75Å; Q61-A63 PolarHBondContact O-N 2.85Å; A63-A66 PolarHBondContact O-N 3.31Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.83Å; A63-L83 HydrophobicContact CB-CD1 3.93Å; A63-L83 HydrophobicContact CB-CD2 4.08Å; A63-V86 HydrophobicContact CB-CG2 3.76Å; A63-V103 HydrophobicContact CB-CG2 4.23Å; A63-F105 HydrophobicContact CB-CB 4.08Å; A63-F105 HydrophobicContact CB-CD1 3.78Å; A63-F105 HydrophobicContact CB-CD2 4.31Å; A63-F105 HydrophobicContact CB-CE1 4.24Å; A63-F105 HydrophobicContact CB-CG 3.81Å
64R96.3Very high93.6Very high43 Ų4342.8 Ų42.816%0.16219%0.191CC..Hα-helixtrans-67-46.6177.1-68.2-174.2-176.6109.9-2.9112.4Q60 Q61 A62 A66 L67 H68 L83 H212 Y214Q60-R64 VanDerWaalsContact O-CG 3.3Å; Q60-R64 WeakPolarHBondContact O-CG 3.35Å; Q60-R64 PolarHBondContact O-N 3.03Å; Q61-R64 PolarHBondContact O-N 2.8Å; A62-R64 VanDerWaalsContact C-N 3.34Å; A62-R64 PolarHBondContact O-N 2.83Å; R64-A66 VanDerWaalsContact C-N 3.27Å; R64-A66 PolarHBondContact O-N 3.07Å; R64-L67 WeakPolarHBondContact O-CB 3.35Å; R64-L67 PolarHBondContact O-N 2.83Å; R64-L67 VanDerWaalsContact O-N 3.1Å; R64-H68 PolarHBondContact O-CD2 3.42Å; R64-H68 PolarHBondContact O-N 2.94Å; R64-L83 HydrophobicContact CG-CD2 3.55Å; R64-H212 VanDerWaalsContact CD-CD2 3.4Å; R64-H212 WeakPolarHBondContact CD-CD2 3.5Å; R64-H212 WeakPolarHBondContact CD-CE1 3.29Å; R64-H212 WeakPolarHBondContact CD-NE2 3.21Å; R64-H212 PolarHBondContact NE-CE1 2.99Å; R64-H212 PolarHBondContact NE-NE2 2.97Å; R64-H212 VanDerWaalsContact NE-NE2 3.12Å; R64-H212 PolarHBondContact NH1-CE1 3.02Å; R64-Y214 PolarHBondContact NE-OH 2.91Å; R64-Y214 VanDerWaalsContact NE-OH 3.11Å
65A97.1Very high94.8Very high0 Ų041.3 Ų41.30%018%0.183CC..Hα-helixtrans-55.5-45.8174.500000111.3Q61 A62 L67 H68 F69 V130 F132 P139 I141 T207Q61-A65 WeakPolarHBondContact O-CB 3.44Å; Q61-A65 PolarHBondContact O-N 2.77Å; A62-A65 PolarHBondContact O-N 2.86Å; A65-L67 VanDerWaalsContact C-N 3.32Å; A65-L67 PolarHBondContact O-N 3.47Å; A65-H68 PolarHBondContact O-N 3.39Å; A65-F69 PolarHBondContact O-N 2.88Å; A65-F69 VanDerWaalsContact O-N 3.09Å; A65-V130 HydrophobicContact CB-CG1 4.46Å; A65-F132 HydrophobicContact CB-CZ 4.43Å; A65-P139 HydrophobicContact CB-CG 4.12Å; A65-I141 VanDerWaalsContact C-CD1 3.41Å; A65-I141 HydrophobicContact CB-CD1 3.92Å; A65-I141 VanDerWaalsContact O-CD1 3.23Å; A65-I141 WeakPolarHBondContact O-CD1 3.01Å; A65-T207 HydrophobicContact CB-CG2 3.86Å
66A98.2Very high95.2Very high0 Ų038.3 Ų38.30%016%0.163CC..Hα-helixtrans-62.1-39.1177.600000112.5A62 A63 R64 F70 F105 A128 V130 I141 V143A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 2.73Å; A63-A66 PolarHBondContact O-N 3.31Å; R64-A66 VanDerWaalsContact C-N 3.27Å; R64-A66 PolarHBondContact O-N 3.07Å; A66-F70 VanDerWaalsContact O-CB 3.31Å; A66-F70 WeakPolarHBondContact O-CB 3.31Å; A66-F70 PolarHBondContact O-N 3.49Å; A66-F105 HydrophobicContact CB-CE1 4.02Å; A66-F105 HydrophobicContact CB-CZ 3.93Å; A66-A128 HydrophobicContact CB-CB 3.52Å; A66-V130 HydrophobicContact CB-CG2 4.08Å; A66-I141 HydrophobicContact CB-CG2 4.17Å; A66-V143 HydrophobicContact CB-CB 4.45Å; A66-V143 HydrophobicContact CB-CG2 4.33Å
67L97.6Very high95.5Very high9 Ų929.9 Ų29.95%0.04713%0.133CC..Hα-helixtrans-69-43.9177.9-177.762.9000112.8A63 R64 A65 F69 F70 N71 R81 V82 L83 F105 T107A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.83Å; R64-L67 WeakPolarHBondContact O-CB 3.35Å; R64-L67 PolarHBondContact O-N 2.83Å; R64-L67 VanDerWaalsContact O-N 3.1Å; A65-L67 VanDerWaalsContact C-N 3.32Å; A65-L67 PolarHBondContact O-N 3.47Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.06Å; L67-F70 HydrophobicContact CD1-CD1 4.47Å; L67-F70 WeakPolarHBondContact O-CB 3.48Å; L67-F70 PolarHBondContact O-N 3.11Å; L67-N71 PolarHBondContact O-N 3.41Å; L67-R81 HydrophobicContact CD1-CB 3.81Å; L67-V82 VanDerWaalsContact CD2-C 3.44Å; L67-L83 HydrophobicContact CD2-CB 3.8Å; L67-F105 HydrophobicContact CB-CE2 4.36Å; L67-T107 HydrophobicContact CD1-CG2 3.88Å
68H97.7Very high95.5Very high10 Ų1024.7 Ų24.75%0.04612%0.118CC..Hα-helixtrans-58-47.9175.1-67.8-48.2000111R64 A65 F70 N71 F72 S200 W204R64-H68 PolarHBondContact O-CD2 3.42Å; R64-H68 PolarHBondContact O-N 2.94Å; A65-H68 PolarHBondContact O-N 3.39Å; H68-F70 PolarHBondContact O-N 3.4Å; H68-N71 PolarHBondContact O-N 3.1Å; H68-F72 WeakPolarHBondContact O-CB 3.49Å; H68-F72 PolarHBondContact O-N 3.33Å; H68-S200 WeakPolarHBondContact CB-O 3.37Å; H68-W204 HydrophobicContact CB-CB 3.92Å
69F97.8Very high95.5Very high22 Ų2224.2 Ų24.210%0.09612%0.117CC..Hα-helixtrans-62.1-40.6175.2178.4-108.2000112.9A65 L67 F72 R73 I141 V143 W204A65-F69 PolarHBondContact O-N 2.88Å; A65-F69 VanDerWaalsContact O-N 3.09Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.06Å; F69-F72 HydrophobicContact CD2-CD1 4.38Å; F69-R73 HydrophobicContact CD2-CG 4.29Å; F69-R73 HydrophobicContact CE1-CG 4.25Å; F69-R73 HydrophobicContact CE2-CG 3.99Å; F69-R73 HydrophobicContact CZ-CG 4.02Å; F69-R73 WeakPolarHBondContact O-CB 3.41Å; F69-R73 WeakPolarHBondContact O-CG 3.37Å; F69-R73 PolarHBondContact O-N 2.9Å; F69-I141 HydrophobicContact CB-CB 4.39Å; F69-I141 HydrophobicContact CB-CD1 3.8Å; F69-I141 HydrophobicContact CB-CG2 4.24Å; F69-I141 HydrophobicContact CD1-CB 3.72Å; F69-I141 HydrophobicContact CD1-CG2 3.45Å; F69-I141 VanDerWaalsContact CD1-CG2 3.45Å; F69-I141 HydrophobicContact CE1-CB 4.01Å; F69-I141 HydrophobicContact CE1-CG2 3.99Å; F69-I141 WeakPolarHBondContact CE1-O 3.49Å; F69-I141 HydrophobicContact CG-CB 4.04Å; F69-I141 HydrophobicContact CG-CD1 4.33Å; F69-I141 HydrophobicContact CG-CG2 4.08Å; F69-V143 HydrophobicContact CD1-CG1 3.83Å; F69-V143 HydrophobicContact CE1-CG1 4.3Å; F69-W204 HydrophobicContact CB-CD2 4.37Å; F69-W204 HydrophobicContact CB-CG 4Å; F69-W204 AromaticContact CD2-CD2 3.77Å; F69-W204 HydrophobicContact CD2-CD2 3.77Å; F69-W204 AromaticContact CD2-CE2 3.56Å; F69-W204 HydrophobicContact CD2-CE3 4.13Å; F69-W204 HydrophobicContact CD2-CG 4.29Å; F69-W204 HydrophobicContact CD2-CH2 4.08Å; F69-W204 AromaticContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ3 4.27Å; F69-W204 AromaticContact CD2-NE1 4Å; F69-W204 HydrophobicContact CE2-CH2 4Å; F69-W204 AromaticContact CE2-CZ2 3.81Å; F69-W204 HydrophobicContact CE2-CZ2 3.81Å
70F97.3Very high95.3Very high37 Ų3723.5 Ų23.516%0.16211%0.113CC..Hα-helixtrans-60.9-49.4175.3173-93.3000111.8A66 L67 H68 F72 R73 A74 R81 V143 C145A66-F70 VanDerWaalsContact O-CB 3.31Å; A66-F70 WeakPolarHBondContact O-CB 3.31Å; A66-F70 PolarHBondContact O-N 3.49Å; L67-F70 HydrophobicContact CD1-CD1 4.47Å; L67-F70 WeakPolarHBondContact O-CB 3.48Å; L67-F70 PolarHBondContact O-N 3.11Å; H68-F70 PolarHBondContact O-N 3.4Å; F70-F72 PolarHBondContact O-N 2.98Å; F70-R73 PolarHBondContact O-N 2.8Å; F70-A74 WeakPolarHBondContact O-CB 3.39Å; F70-A74 PolarHBondContact O-N 2.9Å; F70-R81 HydrophobicContact CE1-CG 4.32Å; F70-V143 HydrophobicContact CB-CG1 4.09Å; F70-C145 HydrophobicContact CD2-CB 4.15Å; F70-C145 HydrophobicContact CE2-CB 3.72Å; F70-C145 HydrophobicContact CZ-CB 4.07Å
71N96.9Very high95.3Very high2 Ų221.5 Ų21.51%0.01110%0.103CC..Hα-helixtrans-59.6-48.5179.4-77.4-19.7000110.7L67 H68 R73 A74 G75 L80 R81 L197L67-N71 PolarHBondContact O-N 3.41Å; H68-N71 PolarHBondContact O-N 3.1Å; N71-R73 PolarHBondContact O-N 2.9Å; N71-A74 PolarHBondContact O-N 3.01Å; N71-G75 PolarHBondContact O-N 3.46Å; N71-L80 HydrophobicContact CB-CD2 3.99Å; N71-R81 PolarHBondContact ND2-O 3.26Å; N71-R81 PolarHBondContact OD1-N 3.47Å; N71-R81 VanDerWaalsContact OD1-N 3.11Å; N71-L197 WeakPolarHBondContact O-CD1 3.39Å
72F95.9Very high95.3Very high40 Ų4023.5 Ų23.518%0.17512%0.115CC..Hα-helixtrans-54.9-52.7174.2159.4-116.3000111.9H68 F69 F70 A74 G75 Y201 W204 L262H68-F72 WeakPolarHBondContact O-CB 3.49Å; H68-F72 PolarHBondContact O-N 3.33Å; F69-F72 HydrophobicContact CD2-CD1 4.38Å; F70-F72 PolarHBondContact O-N 2.98Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.78Å; F72-G75 PolarHBondContact O-N 2.72Å; F72-G75 VanDerWaalsContact O-N 3.11Å; F72-Y201 AromaticContact CD1-CD2 3.88Å; F72-Y201 HydrophobicContact CD1-CD2 3.88Å; F72-Y201 AromaticContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CG 4.06Å; F72-Y201 AromaticContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CE2 4.12Å; F72-Y201 AromaticContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CD2 3.43Å; F72-Y201 VanDerWaalsContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CE2 4.15Å; F72-Y201 HydrophobicContact CE2-CG 4.15Å; F72-Y201 AromaticContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CG 4.41Å; F72-Y201 AromaticContact CZ-CD2 3.49Å; F72-Y201 HydrophobicContact CZ-CD2 3.49Å; F72-Y201 VanDerWaalsContact CZ-CD2 3.49Å; F72-Y201 AromaticContact CZ-CE2 3.84Å; F72-Y201 HydrophobicContact CZ-CE2 3.84Å; F72-W204 HydrophobicContact CD1-CE3 4.37Å; F72-W204 HydrophobicContact CD1-CZ3 4.36Å; F72-W204 HydrophobicContact CE1-CZ3 4.2Å; F72-L262 HydrophobicContact CD2-CD2 4.18Å; F72-L262 HydrophobicContact CE2-CB 4.44Å
73R95.5Very high95.2Very high170 Ų17025.2 Ų25.264%0.64213%0.125SC*.Hα-helixtrans-66.1-30-178.1-78.4-162.366.1-170.95.6113.6F69 F70 N71 G75F69-R73 HydrophobicContact CD2-CG 4.29Å; F69-R73 HydrophobicContact CE1-CG 4.25Å; F69-R73 HydrophobicContact CE2-CG 3.99Å; F69-R73 HydrophobicContact CZ-CG 4.02Å; F69-R73 WeakPolarHBondContact O-CB 3.41Å; F69-R73 WeakPolarHBondContact O-CG 3.37Å; F69-R73 PolarHBondContact O-N 2.9Å; F70-R73 PolarHBondContact O-N 2.8Å; N71-R73 PolarHBondContact O-N 2.9Å; R73-G75 VanDerWaalsContact C-N 3.27Å
74A93.8Very high95.1Very high33 Ų3327.1 Ų27.127%0.27314%0.14SC..Hα-helixtrans-67.3-31.6175.400000111.7F70 N71 F72 S76F70-A74 WeakPolarHBondContact O-CB 3.39Å; F70-A74 PolarHBondContact O-N 2.9Å; N71-A74 PolarHBondContact O-N 3.01Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.78Å; A74-S76 PolarHBondContact O-N 3.33Å; A74-S76 VanDerWaalsContact O-N 3.12Å
75G94.4Very high95Very high5 Ų530.8 Ų30.85%0.05216%0.159CC..THydrogen-bonded Turntrans57.527.3174.400000113.9N71 F72 R73 W256N71-G75 PolarHBondContact O-N 3.46Å; F72-G75 PolarHBondContact O-N 2.72Å; F72-G75 VanDerWaalsContact O-N 3.11Å; R73-G75 VanDerWaalsContact C-N 3.27Å; G75-W256 PolarHBondContact O-NE1 2.88Å
76S94.3Very high95Very high3 Ų332.4 Ų32.42%0.02117%0.169CC..  trans-136.5111.6-168.2166.80000109.6A74 S78 A79 L80 R154 D158A74-S76 PolarHBondContact O-N 3.33Å; A74-S76 VanDerWaalsContact O-N 3.12Å; S76-S78 PolarHBondContact O-N 2.04Å; S76-A79 PolarHBondContact O-N 3.49Å; S76-A79 PolarHBondContact OG-N 2.8Å; S76-L80 PolarHBondContact O-N 2.95Å; S76-R154 WeakPolarHBondContact OG-CD 3.47Å; S76-R154 VanDerWaalsContact OG-CG 3.3Å; S76-R154 WeakPolarHBondContact OG-CG 3.37Å; S76-D158 VanDerWaalsContact CB-OD2 3.3Å; S76-D158 WeakPolarHBondContact CB-OD2 3.38Å; S76-D158 PolarHBondContact OG-OD1 3.44Å; S76-D158 PolarHBondContact OG-OD2 3.28Å
77P92.8Very high94.8Very high11 Ų1136.5 Ų36.57%0.07119%0.188CC..G310 helixtrans-57.1-35.7175-28.138.2000112.7A79 L80 L161 D193 L194 L197 W256P77-A79 PolarHBondContact O-N 2.86Å; P77-L80 WeakPolarHBondContact O-CB 3.39Å; P77-L80 WeakPolarHBondContact O-CG 3.42Å; P77-L80 PolarHBondContact O-N 2.66Å; P77-L161 HydrophobicContact CB-CD2 3.46Å; P77-L161 VanDerWaalsContact CB-CD2 3.46Å; P77-L161 HydrophobicContact CG-CD2 3.56Å; P77-D193 HydrophobicContact CB-CB 4.28Å; P77-L194 HydrophobicContact CG-CD2 3.57Å; P77-L194 HydrophobicContact CG-CG 4.13Å; P77-L197 HydrophobicContact CG-CD2 4Å; P77-W256 HydrophobicContact CG-CZ2 4.16Å
78S90.5Very high94.7Very high31 Ų3141.7 Ų41.722%0.21721%0.212CC..G310 helixtrans-67-24.5176.5-69.40000113.6S76 I149 E157 D158S76-S78 PolarHBondContact O-N 2.04Å; S78-I149 WeakPolarHBondContact O-CD1 3.46Å; S78-E157 WeakPolarHBondContact CB-OE2 3.37Å; S78-E157 WeakPolarHBondContact OG-CB 3.32Å; S78-E157 PolarHBondContact OG-OE2 2.83Å; S78-D158 WeakPolarHBondContact CB-OD1 3.36Å; S78-D158 PolarHBondContact N-OD1 3.5Å; S78-D158 PolarHBondContact OG-OD1 3.04Å
79A91.1Very high94.6Very high9 Ų942.6 Ų42.67%0.07422%0.224CC..G310 helixtrans-96.57-179.700000114.2S76 P77 R81 R154S76-A79 PolarHBondContact O-N 3.49Å; S76-A79 PolarHBondContact OG-N 2.8Å; P77-A79 PolarHBondContact O-N 2.86Å; A79-R81 WeakPolarHBondContact O-CG 3.46Å; A79-R154 HydrophobicContact CB-CG 4.3Å
80L92.4Very high94.5Very high6 Ų648.6 Ų48.63%0.03125%0.246CC..  trans-58.2138.5179.6-77.7174.6000112.1N71 S76 P77 Y110 D193 F196 L197N71-L80 HydrophobicContact CB-CD2 3.99Å; S76-L80 PolarHBondContact O-N 2.95Å; P77-L80 WeakPolarHBondContact O-CB 3.39Å; P77-L80 WeakPolarHBondContact O-CG 3.42Å; P77-L80 PolarHBondContact O-N 2.66Å; L80-Y110 HydrophobicContact CB-CD1 4.4Å; L80-Y110 HydrophobicContact CB-CG 4.36Å; L80-Y110 HydrophobicContact CD1-CD1 4.22Å; L80-Y110 WeakPolarHBondContact O-CB 3.4Å; L80-Y110 PolarHBondContact O-N 3.44Å; L80-D193 HydrophobicContact CD1-CB 4.08Å; L80-F196 HydrophobicContact CD1-CD1 4.02Å; L80-F196 HydrophobicContact CD2-CD1 3.83Å; L80-F196 HydrophobicContact CD2-CE1 4.19Å; L80-F196 HydrophobicContact CG-CD1 4.49Å; L80-L197 HydrophobicContact CD2-CB 4.24Å; L80-L197 HydrophobicContact CD2-CD1 3.72Å
81R94.1Very high94.3Very high15 Ų1547.3 Ų47.36%0.05724%0.242CC..EExtended strand (participates in β ladder)trans-132.3155.3-178.7-62.3-172.3-165.5-167.63.5112.9L67 F70 N71 A79 T107 E108 T146 L148L67-R81 HydrophobicContact CD1-CB 3.81Å; F70-R81 HydrophobicContact CE1-CG 4.32Å; N71-R81 PolarHBondContact ND2-O 3.26Å; N71-R81 PolarHBondContact OD1-N 3.47Å; N71-R81 VanDerWaalsContact OD1-N 3.11Å; A79-R81 WeakPolarHBondContact O-CG 3.46Å; R81-T107 WeakPolarHBondContact CD-OG1 3.41Å; R81-T107 PolarHBondContact NH1-OG1 3.43Å; R81-E108 CarbonylContact C-O 3.56Å; R81-E108 WeakPolarHBondContact CA-O 2.96Å; R81-E108 WeakPolarHBondContact CB-O 3.37Å; R81-T146 VanDerWaalsContact CZ-O 3.22Å; R81-T146 PolarHBondContact NH1-O 3.06Å; R81-T146 PolarHBondContact NH2-O 3.14Å; R81-L148 HydrophobicContact CG-CD1 4.24Å
82V93.8Very high94.2Very high47 Ų4749.7 Ų49.729%0.28525%0.251SS..EExtended strand (participates in β ladder)trans-117.6152.6170.8-71.10000110.5L67 A84 T107 E108 Y110L67-V82 VanDerWaalsContact CD2-C 3.44Å; V82-A84 PolarHBondContact O-N 2.81Å; V82-T107 CarbonylContact O-C 3.53Å; V82-T107 WeakPolarHBondContact O-CA 3.4Å; V82-T107 WeakPolarHBondContact O-CB 3.42Å; V82-E108 HydrophobicContact CG2-CB 4.03Å; V82-E108 HydrophobicContact CG2-CG 4.43Å; V82-E108 PolarHBondContact N-O 3.08Å; V82-E108 PolarHBondContact O-N 3.26Å; V82-Y110 HydrophobicContact CG1-CD2 3.55Å; V82-Y110 HydrophobicContact CG1-CE2 4.26Å; V82-Y110 HydrophobicContact CG1-CG 4.5Å
83L95Very high94Very high37 Ų3752.1 Ų52.119%0.19427%0.265CS..EExtended strand (participates in β ladder)trans-73.3125.1176.2176.964.3000107.9A63 R64 L67 F105A63-L83 HydrophobicContact CB-CD1 3.93Å; A63-L83 HydrophobicContact CB-CD2 4.08Å; R64-L83 HydrophobicContact CG-CD2 3.55Å; L67-L83 HydrophobicContact CD2-CB 3.8Å; L83-F105 HydrophobicContact CD1-CB 3.78Å; L83-F105 HydrophobicContact CD1-CD2 3.44Å; L83-F105 VanDerWaalsContact CD1-CD2 3.44Å; L83-F105 HydrophobicContact CD1-CE2 4.28Å; L83-F105 HydrophobicContact CD1-CG 3.9Å
84A94.2Very high93.7Very high40 Ų4046.5 Ų46.533%0.33125%0.248SC..EExtended strand (participates in β ladder)trans-90.2-65.5173.300000109.5V82 S106 E108 L123V82-A84 PolarHBondContact O-N 2.81Å; A84-S106 WeakPolarHBondContact CB-OG 3.49Å; A84-S106 PolarHBondContact N-O 2.92Å; A84-E108 HydrophobicContact CB-CG 3.58Å; A84-E108 WeakPolarHBondContact CB-OE1 3.34Å; A84-L123 HydrophobicContact CB-CD2 3.89Å
85E95Very high93.3Very high120 Ų12050.4 Ų50.456%0.56127%0.27SS*.EExtended strand (participates in β ladder)trans-150146.1-175.8-175.3175-153.700111.8F105 S106E85-F105 CarbonylContact O-C 3.53Å; E85-F105 WeakPolarHBondContact O-CA 3.07Å; E85-F105 VanDerWaalsContact O-CB 3.25Å; E85-F105 WeakPolarHBondContact O-CB 3.45Å; E85-S106 PolarHBondContact N-OG 3.21Å; E85-S106 VanDerWaalsContact N-OG 3.16Å; E85-S106 PolarHBondContact O-N 3.46Å; E85-S106 PolarHBondContact O-OG 3.28Å
86V96.9Very high92.9Very high33 Ų3359.2 Ų59.220%0.231%0.307CS..EExtended strand (participates in β ladder)trans-85.8120.6166.4176.90000108.6L59 Q60 A63 V103 F105L59-V86 HydrophobicContact CB-CG1 3.98Å; L59-V86 HydrophobicContact CD1-CG1 4.49Å; Q60-V86 HydrophobicContact CG-CG2 4.04Å; A63-V86 HydrophobicContact CB-CG2 3.76Å; V86-V103 HydrophobicContact CG1-CG2 3.78Å; V86-F105 HydrophobicContact CG2-CB 4.47Å
87Q94.9Very high92.5Very high86 Ų8666 Ų6640%0.40234%0.338SS..EExtended strand (participates in β ladder)trans-89.7-51.9-175.6-60.4-177.5-26.100111V104 K125Q87-V104 HydrophobicContact CB-CG1 4.39Å; Q87-V104 PolarHBondContact N-O 3.43Å; Q87-K125 VanDerWaalsContact OE1-CE 3.25Å
88E94.4Very high92.5Very high119 Ų11965.7 Ų65.756%0.55634%0.337SS*.EExtended strand (participates in β ladder)trans-147.2154.6-173.4-61.9166.8-148.500109.7V104E88-V104 HydrophobicContact CB-CB 4.24Å; E88-V104 PolarHBondContact N-O 3.22Å; E88-V104 PolarHBondContact O-N 2.8Å
89G95.2Very high92.6Very high28 Ų2864.6 Ų64.629%0.28933%0.33SS..EExtended strand (participates in β ladder)trans-171.4159.817200000114.2D102G89-D102 CarbonylContact C-O 3.59Å; G89-D102 WeakPolarHBondContact CA-O 3.23Å
90R95.4Very high92.8Very high148 Ų14867.9 Ų67.956%0.55834%0.342SS*.EExtended strand (participates in β ladder)trans-133.2143.5173.8-67.9-174.8-64.3-90.8-3.5108.8W92 V101 D102R90-W92 HydrophobicContact CB-CH2 4.09Å; R90-W92 HydrophobicContact CB-CZ2 4.48Å; R90-W92 HydrophobicContact CB-CZ3 4.3Å; R90-V101 CarbonylContact O-C 3.48Å; R90-V101 WeakPolarHBondContact O-CA 3.02Å; R90-D102 PolarHBondContact N-O 2.84Å; R90-D102 PolarHBondContact O-N 3.36Å
91A94.3Very high93.1Very high11 Ų1167.6 Ų67.69%0.09134%0.341CS..EExtended strand (participates in β ladder)trans-127.6145.5173.600000110.6V54 L58 K100 V101V54-A91 HydrophobicContact CB-CB 4.42Å; V54-A91 HydrophobicContact CG1-CB 3.46Å; V54-A91 VanDerWaalsContact CG1-CB 3.46Å; V54-A91 HydrophobicContact CG2-CB 4.06Å; L58-A91 HydrophobicContact CD2-CB 3.83Å; A91-K100 CarbonylContact C-O 3.49Å; A91-K100 VanDerWaalsContact CA-O 3.28Å; A91-K100 WeakPolarHBondContact CA-O 3.48Å; A91-V101 HydrophobicContact CB-CG2 4.15Å
92W93.6Very high93.3Very high51 Ų5168 Ų6819%0.19334%0.344CS..EExtended strand (participates in β ladder)trans-118.9115.9168.3-60-93.5000106.7R90 C99 K100 D102R90-W92 HydrophobicContact CB-CH2 4.09Å; R90-W92 HydrophobicContact CB-CZ2 4.48Å; R90-W92 HydrophobicContact CB-CZ3 4.3Å; W92-C99 CarbonylContact O-C 3.59Å; W92-C99 VanDerWaalsContact O-CA 3.27Å; W92-C99 WeakPolarHBondContact O-CA 3.4Å; W92-K100 HydrophobicContact CB-CB 4.49Å; W92-K100 HydrophobicContact CE3-CB 4.23Å; W92-K100 HydrophobicContact CE3-CD 4.19Å; W92-K100 HydrophobicContact CE3-CG 4.03Å; W92-K100 HydrophobicContact CZ3-CD 4.49Å; W92-K100 HydrophobicContact CZ3-CG 4.4Å; W92-K100 PolarHBondContact N-O 2.8Å; W92-K100 PolarHBondContact O-N 2.78Å; W92-D102 HydrophobicContact CH2-CB 4.27Å; W92-D102 WeakPolarHBondContact CH2-OD2 3.5Å; W92-D102 HydrophobicContact CZ3-CB 3.97Å
93I91.8Very high93.5Very high91 Ų9165.9 Ų65.947%0.46733%0.331SS..EExtended strand (participates in β ladder)trans-106.8123.3-174.9-57.5174.5000107.9L58 C99L58-I93 HydrophobicContact CD2-CD1 4.35Å; I93-C99 HydrophobicContact CG1-CB 4.16Å
94N90Very high93.6Very high52 Ų5265.3 Ų65.328%0.27833%0.329SS..EExtended strand (participates in β ladder)trans-117.7112.5170.8-178.6-28.7000108K96 E97 G98N94-K96 PolarHBondContact O-N 2.88Å; N94-K96 WeakPolarHBondContact OD1-CB 3.44Å; N94-K96 PolarHBondContact OD1-N 2.82Å; N94-E97 HydrophobicContact CB-CB 4.1Å; N94-E97 PolarHBondContact ND2-OE2 3.38Å; N94-E97 PolarHBondContact O-N 2.87Å; N94-E97 PolarHBondContact OD1-N 2.84Å; N94-G98 CarbonylContact C-O 3.59Å; N94-G98 WeakPolarHBondContact CA-O 3.4Å; N94-G98 PolarHBondContact N-O 2.81Å; N94-G98 PolarHBondContact O-N 2.71Å
95P85.6Confident93.8Very high115 Ų11563.4 Ų63.475%0.74731%0.314SS*.THydrogen-bonded Turntrans-54.8-25.7-179.1-27.535.1000114.5N134P95-N134 PolarHBondContact O-ND2 3.43Å
96K86.3Confident93.8Very high190 Ų19057.8 Ų57.883%0.82629%0.288SS*.THydrogen-bonded Turntrans-89.9-39179.9-62.3-177.3-179.6178.80113.1N94 N134N94-K96 PolarHBondContact O-N 2.88Å; N94-K96 WeakPolarHBondContact OD1-CB 3.44Å; N94-K96 PolarHBondContact OD1-N 2.82Å; K96-N134 PolarHBondContact O-ND2 3.41Å; K96-N134 VanDerWaalsContact O-ND2 3.09Å
97E86.1Confident93.8Very high145 Ų14556.2 Ų56.268%0.67828%0.278SS*.THydrogen-bonded Turntrans-101.1-25.7-169.7-62.7-178.7164.200114.1N94N94-E97 HydrophobicContact CB-CB 4.1Å; N94-E97 PolarHBondContact ND2-OE2 3.38Å; N94-E97 PolarHBondContact O-N 2.87Å; N94-E97 PolarHBondContact OD1-N 2.84Å
98G91.4Very high93.6Very high5 Ų555.3 Ų55.35%0.05227%0.274CS..EExtended strand (participates in β ladder)trans119.1-151.6-174.400000112.8N94 F132 N134N94-G98 CarbonylContact C-O 3.59Å; N94-G98 WeakPolarHBondContact CA-O 3.4Å; N94-G98 PolarHBondContact N-O 2.81Å; N94-G98 PolarHBondContact O-N 2.71Å; G98-F132 CarbonylContact C-O 3.55Å; G98-F132 WeakPolarHBondContact CA-O 3.46Å; G98-N134 VanDerWaalsContact CA-OD1 3.23Å; G98-N134 WeakPolarHBondContact CA-OD1 3.46Å; G98-N134 PolarHBondContact N-ND2 3.47Å
99C93.4Very high93.3Very high8 Ų853.1 Ų53.15%0.05426%0.26CS..EExtended strand (participates in β ladder)trans-135.1141-17867.70000112W92 I93 F132 Q209W92-C99 CarbonylContact O-C 3.59Å; W92-C99 VanDerWaalsContact O-CA 3.27Å; W92-C99 WeakPolarHBondContact O-CA 3.4Å; I93-C99 HydrophobicContact CG1-CB 4.16Å; C99-F132 PolarHBondContact N-O 3.4Å; C99-F132 PolarHBondContact O-N 3.03Å; C99-F132 VanDerWaalsContact SG-CD2 3.58Å; C99-Q209 PolarHBondContact SG-NE2 3.39Å; C99-Q209 VanDerWaalsContact SG-NE2 3.45Å
100K96.2Very high92.9Very high79 Ų7954 Ų5434%0.34326%0.256SS..EExtended strand (participates in β ladder)trans-105.5130.6171.5179.5-179.272.8-167.20107.6A91 W92 R129 V130 V131A91-K100 CarbonylContact C-O 3.49Å; A91-K100 VanDerWaalsContact CA-O 3.28Å; A91-K100 WeakPolarHBondContact CA-O 3.48Å; W92-K100 HydrophobicContact CB-CB 4.49Å; W92-K100 HydrophobicContact CE3-CB 4.23Å; W92-K100 HydrophobicContact CE3-CD 4.19Å; W92-K100 HydrophobicContact CE3-CG 4.03Å; W92-K100 HydrophobicContact CZ3-CD 4.49Å; W92-K100 HydrophobicContact CZ3-CG 4.4Å; W92-K100 PolarHBondContact N-O 2.8Å; W92-K100 PolarHBondContact O-N 2.78Å; K100-R129 HydrophobicContact CG-CG 4.44Å; K100-V130 CarbonylContact C-O 3.58Å; K100-V130 WeakPolarHBondContact CA-O 3.09Å; K100-V131 HydrophobicContact CG-CG2 4.23Å
101V97.2Very high91.9Very high0 Ų050.2 Ų50.20%024%0.243CC..EExtended strand (participates in β ladder)trans-128.1120-178.4-1720000109L58 L59 A62 R90 A91 V103 R129 V130 F132L58-V101 HydrophobicContact CD1-CG2 4.05Å; L58-V101 HydrophobicContact CD2-CG2 4Å; L58-V101 HydrophobicContact CG-CG2 3.86Å; L59-V101 HydrophobicContact CD2-CG1 3.61Å; A62-V101 HydrophobicContact CB-CB 3.81Å; A62-V101 HydrophobicContact CB-CG1 3.59Å; A62-V101 HydrophobicContact CB-CG2 4.31Å; R90-V101 CarbonylContact O-C 3.48Å; R90-V101 WeakPolarHBondContact O-CA 3.02Å; A91-V101 HydrophobicContact CB-CG2 4.15Å; V101-V103 HydrophobicContact CG1-CB 4.33Å; V101-R129 CarbonylContact O-C 3.53Å; V101-R129 WeakPolarHBondContact O-CA 3.31Å; V101-V130 PolarHBondContact N-O 3.11Å; V101-V130 PolarHBondContact O-N 2.78Å; V101-F132 HydrophobicContact CG2-CD2 4.38Å; V101-F132 HydrophobicContact CG2-CE2 4.25Å
102D98.1Very high90Very high24 Ų2452.9 Ų52.913%0.12826%0.259CS..EExtended strand (participates in β ladder)trans-97.4120.9166.4-74.9-6.8000107.1G89 R90 W92 A128 R129G89-D102 CarbonylContact C-O 3.59Å; G89-D102 WeakPolarHBondContact CA-O 3.23Å; R90-D102 PolarHBondContact N-O 2.84Å; R90-D102 PolarHBondContact O-N 3.36Å; W92-D102 HydrophobicContact CH2-CB 4.27Å; W92-D102 WeakPolarHBondContact CH2-OD2 3.5Å; W92-D102 HydrophobicContact CZ3-CB 3.97Å; D102-A128 CarbonylContact C-O 3.57Å; D102-A128 WeakPolarHBondContact CA-O 3.42Å; D102-R129 WeakPolarHBondContact OD1-CB 3.45Å; D102-R129 VanDerWaalsContact OD1-CG 3.28Å; D102-R129 WeakPolarHBondContact OD1-CG 3.24Å; D102-R129 IonicContact OD1-CZ 2.9Å; D102-R129 IonicContact OD1-NE 2.54Å; D102-R129 PolarHBondContact OD1-NE 3.22Å; D102-R129 IonicContact OD1-NH2 3.58Å; D102-R129 IonicContact OD2-CZ 3.74Å; D102-R129 IonicContact OD2-NE 3.41Å; D102-R129 IonicContact OD2-NH2 3.03Å; D102-R129 PolarHBondContact OD2-NH2 3.11Å
103V98.1Very high88.1Confident1 Ų159 Ų591%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-135.4141.2-172.864.30000111.6A62 A63 V86 V101 F105 S127 A128A62-V103 HydrophobicContact CB-CG1 4.07Å; A63-V103 HydrophobicContact CB-CG2 4.23Å; V86-V103 HydrophobicContact CG1-CG2 3.78Å; V101-V103 HydrophobicContact CG1-CB 4.33Å; V103-F105 HydrophobicContact CG1-CD1 4.1Å; V103-F105 HydrophobicContact CG1-CE1 4.25Å; V103-F105 HydrophobicContact CG2-CD1 4.37Å; V103-S127 WeakPolarHBondContact O-CA 3.17Å; V103-A128 HydrophobicContact CG1-CB 4.09Å; V103-A128 PolarHBondContact N-O 3.01Å; V103-A128 PolarHBondContact O-N 3.23Å
104V98Very high86Confident26 Ų2658.6 Ų58.616%0.15830%0.295CS..EExtended strand (participates in β ladder)trans-117.7128.1173.5179.90000108.3Q87 E88 K125 C126Q87-V104 HydrophobicContact CB-CG1 4.39Å; Q87-V104 PolarHBondContact N-O 3.43Å; E88-V104 HydrophobicContact CB-CB 4.24Å; E88-V104 PolarHBondContact N-O 3.22Å; E88-V104 PolarHBondContact O-N 2.8Å; V104-K125 HydrophobicContact CG1-CD 4.27Å; V104-K125 HydrophobicContact CG1-CG 4.15Å; V104-C126 WeakPolarHBondContact CA-O 3.06Å
105F97.6Very high83.8Confident0 Ų060.7 Ų60.70%031%0.306CS..EExtended strand (participates in β ladder)trans-146.4153.8-174.860.1-84.4000111.7A63 A66 L67 L83 E85 V86 V103 T107 C126 A128 V143A63-F105 HydrophobicContact CB-CB 4.08Å; A63-F105 HydrophobicContact CB-CD1 3.78Å; A63-F105 HydrophobicContact CB-CD2 4.31Å; A63-F105 HydrophobicContact CB-CE1 4.24Å; A63-F105 HydrophobicContact CB-CG 3.81Å; A66-F105 HydrophobicContact CB-CE1 4.02Å; A66-F105 HydrophobicContact CB-CZ 3.93Å; L67-F105 HydrophobicContact CB-CE2 4.36Å; L83-F105 HydrophobicContact CD1-CB 3.78Å; L83-F105 HydrophobicContact CD1-CD2 3.44Å; L83-F105 VanDerWaalsContact CD1-CD2 3.44Å; L83-F105 HydrophobicContact CD1-CE2 4.28Å; L83-F105 HydrophobicContact CD1-CG 3.9Å; E85-F105 CarbonylContact O-C 3.53Å; E85-F105 WeakPolarHBondContact O-CA 3.07Å; E85-F105 VanDerWaalsContact O-CB 3.25Å; E85-F105 WeakPolarHBondContact O-CB 3.45Å; V86-F105 HydrophobicContact CG2-CB 4.47Å; V103-F105 HydrophobicContact CG1-CD1 4.1Å; V103-F105 HydrophobicContact CG1-CE1 4.25Å; V103-F105 HydrophobicContact CG2-CD1 4.37Å; F105-T107 HydrophobicContact CD2-CG2 3.71Å; F105-T107 HydrophobicContact CE2-CG2 3.57Å; F105-C126 HydrophobicContact CD1-CB 4.09Å; F105-C126 HydrophobicContact CD2-CB 3.89Å; F105-C126 HydrophobicContact CE1-CB 3.7Å; F105-C126 HydrophobicContact CE2-CB 3.49Å; F105-C126 VanDerWaalsContact CE2-CB 3.49Å; F105-C126 HydrophobicContact CG-CB 4.19Å; F105-C126 HydrophobicContact CZ-CB 3.39Å; F105-C126 PolarHBondContact N-O 3.43Å; F105-C126 PolarHBondContact O-N 3.44Å; F105-A128 HydrophobicContact CE1-CB 3.97Å; F105-V143 HydrophobicContact CZ-CG2 4.48Å
106S96.4Very high81.8Confident2 Ų263.8 Ų63.81%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-92.7150.8171.651.70000110.7A84 E85 G124A84-S106 WeakPolarHBondContact CB-OG 3.49Å; A84-S106 PolarHBondContact N-O 2.92Å; E85-S106 PolarHBondContact N-OG 3.21Å; E85-S106 VanDerWaalsContact N-OG 3.16Å; E85-S106 PolarHBondContact O-N 3.46Å; E85-S106 PolarHBondContact O-OG 3.28Å; S106-G124 CarbonylContact C-O 3.59Å; S106-G124 WeakPolarHBondContact CA-O 3.49Å
107T95.3Very high79.7Confident0 Ų062.5 Ų62.50%031%0.312CS..EExtended strand (participates in β ladder)trans-133.5148.3-179.254.50000109.8L67 R81 V82 F105 L123 G124 C126L67-T107 HydrophobicContact CD1-CG2 3.88Å; R81-T107 WeakPolarHBondContact CD-OG1 3.41Å; R81-T107 PolarHBondContact NH1-OG1 3.43Å; V82-T107 CarbonylContact O-C 3.53Å; V82-T107 WeakPolarHBondContact O-CA 3.4Å; V82-T107 WeakPolarHBondContact O-CB 3.42Å; F105-T107 HydrophobicContact CD2-CG2 3.71Å; F105-T107 HydrophobicContact CE2-CG2 3.57Å; T107-L123 CarbonylContact O-C 3.51Å; T107-L123 WeakPolarHBondContact O-CA 3.33Å; T107-G124 PolarHBondContact N-O 3.3Å; T107-G124 PolarHBondContact O-N 3.27Å; T107-G124 PolarHBondContact OG1-O 2.92Å; T107-C126 VanDerWaalsContact CG2-SG 3.6Å
108E91.6Very high77.8Confident67 Ų6765 Ų6531%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-114.4161.1173-32.4-160.5172.400109.2R81 V82 A84 Y110 L123R81-E108 CarbonylContact C-O 3.56Å; R81-E108 WeakPolarHBondContact CA-O 2.96Å; R81-E108 WeakPolarHBondContact CB-O 3.37Å; V82-E108 HydrophobicContact CG2-CB 4.03Å; V82-E108 HydrophobicContact CG2-CG 4.43Å; V82-E108 PolarHBondContact N-O 3.08Å; V82-E108 PolarHBondContact O-N 3.26Å; A84-E108 HydrophobicContact CB-CG 3.58Å; A84-E108 WeakPolarHBondContact CB-OE1 3.34Å; E108-Y110 PolarHBondContact O-N 3.19Å; E108-L123 HydrophobicContact CB-CD2 4.49Å; E108-L123 HydrophobicContact CG-CD2 3.54Å; E108-L123 WeakPolarHBondContact OE1-CD2 3.5Å
109R88.8Confident75.5Confident73 Ų7367.5 Ų67.528%0.27535%0.35SS..EExtended strand (participates in β ladder)trans-64.2135.9166.5-66.2-170.3-178.4-160.46.6108.8K111 L148 I149R109-K111 PolarHBondContact O-N 3.1Å; R109-K111 VanDerWaalsContact O-N 3.12Å; R109-L148 HydrophobicContact CG-CB 4.33Å; R109-L148 HydrophobicContact CG-CD1 3.96Å; R109-L148 PolarHBondContact NH2-O 3.24Å; R109-I149 VanDerWaalsContact CZ-CD1 3.41Å; R109-I149 VanDerWaalsContact NH1-CD1 3.3Å; R109-I149 VanDerWaalsContact NH2-CG1 3.34Å
110Y85.5Confident73.1Confident47 Ų4777.1 Ų77.118%0.18439%0.394CS..SBendtrans-58.6-26.2176-179.9-120.4000113L80 V82 E108 W192 F196L80-Y110 HydrophobicContact CB-CD1 4.4Å; L80-Y110 HydrophobicContact CB-CG 4.36Å; L80-Y110 HydrophobicContact CD1-CD1 4.22Å; L80-Y110 WeakPolarHBondContact O-CB 3.4Å; L80-Y110 PolarHBondContact O-N 3.44Å; V82-Y110 HydrophobicContact CG1-CD2 3.55Å; V82-Y110 HydrophobicContact CG1-CE2 4.26Å; V82-Y110 HydrophobicContact CG1-CG 4.5Å; E108-Y110 PolarHBondContact O-N 3.19Å; Y110-W192 AromaticContact CZ-NE1 3.82Å; Y110-W192 PolarHBondContact OH-NE1 3.46Å; Y110-F196 HydrophobicContact CD2-CZ 4.5Å; Y110-F196 HydrophobicContact CE2-CD2 4.42Å; Y110-F196 HydrophobicContact CE2-CE2 4.1Å; Y110-F196 HydrophobicContact CE2-CZ 4.33Å
111K74.4Confident71Confident67 Ų6776.4 Ų76.429%0.29141%0.409SS..  trans-124.296.1175.9-62.7-173.1-176.3-173.10110.8R109 R189 D193R109-K111 PolarHBondContact O-N 3.1Å; R109-K111 VanDerWaalsContact O-N 3.12Å; K111-R189 VanDerWaalsContact CE-NE 3.33Å; K111-R189 VanDerWaalsContact NZ-CG 3.27Å; K111-D193 WeakPolarHBondContact CE-OD1 3.49Å; K111-D193 WeakPolarHBondContact CE-OD2 3.18Å; K111-D193 VanDerWaalsContact NZ-CG 3.33Å; K111-D193 IonicContact NZ-OD1 2.93Å; K111-D193 PolarHBondContact NZ-OD1 2.71Å; K111-D193 IonicContact NZ-OD2 3.52Å; K111-D193 PolarHBondContact NZ-OD2 2.9Å
112P55.2Low69.5Low68 Ų6884.7 Ų84.744%0.44244%0.44SS..  trans-78.8-23.3172.729-31.1000112.5S114P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 3.07Å
113E54.4Low68.5Low178 Ų17888 Ų8883%0.83246%0.457SS*.THydrogen-bonded Turntrans-74.7-13.4-169.1-68.9-178.8168.100115.4L115E113-L115 PolarHBondContact O-N 3.32Å
114S47.3Very low68.1Low83 Ų8388 Ų8858%0.5846%0.457SS*.THydrogen-bonded Turntrans-73.8-8-173.658.20000115P112P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 3.07Å
115L43.2Very low68Low96 Ų9691.6 Ų91.650%0.50347%0.471SS..  trans-150.7117.4170.2-68.3173.8000110.6E113 Q117E113-L115 PolarHBondContact O-N 3.32Å; L115-Q117 PolarHBondContact O-N 2.98Å
116L42.9Very low68Low181 Ų18191.7 Ų91.795%0.94847%0.471SS*.  trans-56.475.5156.5-66.9164.3000109.6
117Q43.3Very low68.1Low162 Ų16294.9 Ų94.976%0.75749%0.493SS*.  trans-126.184.9167.8-156.196.479.200106.5L115 G119L115-Q117 PolarHBondContact O-N 2.98Å; Q117-G119 PolarHBondContact O-N 3.43Å
118E46.6Very low68.3Low199 Ų19995.1 Ų95.193%0.9350%0.495SS*.  trans-55.1124.7162.4-66.6-179.5160.200108.4
119G42.8Very low68.6Low57 Ų5797.9 Ų97.959%0.58850%0.503SS*.  trans163.3123.3177.900000111.5Q117Q117-G119 PolarHBondContact O-N 3.43Å
120E42.1Very low69Low210 Ų21094.4 Ų94.498%0.98149%0.49SS*.SBendtrans-41.2132.7176-69166.4139.800112.9
121G52.4Low69.6Low63 Ų6394.9 Ų94.965%0.64950%0.497SS*.  trans132.615.4-176.200000116.2L123G121-L123 VanDerWaalsContact C-N 3.3Å; G121-L123 PolarHBondContact O-N 3.21Å
122R65.1Low70.6Confident174 Ų17491.8 Ų91.866%0.65748%0.484SS*.  trans-67.8-27.2-178.7-62.2178.380.8168.23.9113.7
123L78.6Confident72.4Confident95 Ų9594.8 Ų94.850%0.49749%0.49SS..EExtended strand (participates in β ladder)trans-99.5122.9-175.6-57.7-176.1000111.3A84 T107 E108 G121A84-L123 HydrophobicContact CB-CD2 3.89Å; T107-L123 CarbonylContact O-C 3.51Å; T107-L123 WeakPolarHBondContact O-CA 3.33Å; E108-L123 HydrophobicContact CB-CD2 4.49Å; E108-L123 HydrophobicContact CG-CD2 3.54Å; E108-L123 WeakPolarHBondContact OE1-CD2 3.5Å; G121-L123 VanDerWaalsContact C-N 3.3Å; G121-L123 PolarHBondContact O-N 3.21Å
124G89.3Confident74.1Confident0 Ų088.6 Ų88.60%046%0.463CS..EExtended strand (participates in β ladder)trans-97.6133.1172.400000110.2S106 T107 T146 L148S106-G124 CarbonylContact C-O 3.59Å; S106-G124 WeakPolarHBondContact CA-O 3.49Å; T107-G124 PolarHBondContact N-O 3.3Å; T107-G124 PolarHBondContact O-N 3.27Å; T107-G124 PolarHBondContact OG1-O 2.92Å; G124-T146 VanDerWaalsContact CA-OG1 3.3Å; G124-T146 WeakPolarHBondContact CA-OG1 3.47Å; G124-L148 VanDerWaalsContact CA-CD2 3.47Å
125K95.6Very high75.7Confident102 Ų10294 Ų9444%0.44348%0.479SS..EExtended strand (participates in β ladder)trans-87.2135.9178.7-168.1169.3-175.5166.70110.5Q87 V104 C145 T146Q87-K125 VanDerWaalsContact OE1-CE 3.25Å; V104-K125 HydrophobicContact CG1-CD 4.27Å; V104-K125 HydrophobicContact CG1-CG 4.15Å; K125-C145 CarbonylContact O-C 3.59Å; K125-C145 WeakPolarHBondContact O-CA 3.1Å; K125-T146 HydrophobicContact CB-CG2 4.16Å; K125-T146 PolarHBondContact N-OG1 3.32Å; K125-T146 PolarHBondContact O-N 3.42Å; K125-T146 PolarHBondContact O-OG1 2.84Å
126C97.8Very high77.9Confident1 Ų195.7 Ų95.71%0.00748%0.482CS..EExtended strand (participates in β ladder)trans-122.2144.6172.9-64.70000109.9V104 F105 T107 T144 C145V104-C126 WeakPolarHBondContact CA-O 3.06Å; F105-C126 HydrophobicContact CD1-CB 4.09Å; F105-C126 HydrophobicContact CD2-CB 3.89Å; F105-C126 HydrophobicContact CE1-CB 3.7Å; F105-C126 HydrophobicContact CE2-CB 3.49Å; F105-C126 VanDerWaalsContact CE2-CB 3.49Å; F105-C126 HydrophobicContact CG-CB 4.19Å; F105-C126 HydrophobicContact CZ-CB 3.39Å; F105-C126 PolarHBondContact N-O 3.43Å; F105-C126 PolarHBondContact O-N 3.44Å; T107-C126 VanDerWaalsContact CG2-SG 3.6Å; C126-T144 CarbonylContact C-O 3.56Å; C126-T144 VanDerWaalsContact CA-O 3.27Å; C126-T144 WeakPolarHBondContact CA-O 3.25Å; C126-C145 HydrophobicContact CB-CB 4.12Å; C126-C145 WeakPolarHBondContact CB-SG 3.38Å; C126-C145 WeakPolarHBondContact SG-CB 3.34Å; C126-C145 CovalentContact SG-SG 2.04Å; C126-C145 PolarHBondContact SG-SG 3.49Å
127S98.2Very high80.4Confident69 Ų6990.6 Ų90.648%0.48346%0.46SS..EExtended strand (participates in β ladder)trans-124.1130.2167.81770000107.9V103 V143 T144V103-S127 WeakPolarHBondContact O-CA 3.17Å; S127-V143 WeakPolarHBondContact O-CA 3.4Å; S127-T144 PolarHBondContact N-O 2.86Å; S127-T144 PolarHBondContact O-N 3.14Å
128A98.6Very high82.8Confident5 Ų589 Ų894%0.04145%0.447CS..EExtended strand (participates in β ladder)trans-137.3147.1-176.900000112.2A66 D102 V103 F105 V130 N142 V143A66-A128 HydrophobicContact CB-CB 3.52Å; D102-A128 CarbonylContact C-O 3.57Å; D102-A128 WeakPolarHBondContact CA-O 3.42Å; V103-A128 HydrophobicContact CG1-CB 4.09Å; V103-A128 PolarHBondContact N-O 3.01Å; V103-A128 PolarHBondContact O-N 3.23Å; F105-A128 HydrophobicContact CE1-CB 3.97Å; A128-V130 HydrophobicContact CB-CG2 4.38Å; A128-N142 CarbonylContact C-O 3.49Å; A128-N142 WeakPolarHBondContact CA-O 2.94Å; A128-V143 HydrophobicContact CB-CB 3.97Å; A128-V143 HydrophobicContact CB-CG2 3.95Å
129R98.6Very high85.2Confident126 Ų12679.8 Ų79.848%0.47540%0.404SS..EExtended strand (participates in β ladder)trans-110.5122.8162.1176169.3-67.4165.63.2108.4K100 V101 D102 I141 N142K100-R129 HydrophobicContact CG-CG 4.44Å; V101-R129 CarbonylContact O-C 3.53Å; V101-R129 WeakPolarHBondContact O-CA 3.31Å; D102-R129 WeakPolarHBondContact OD1-CB 3.45Å; D102-R129 VanDerWaalsContact OD1-CG 3.28Å; D102-R129 WeakPolarHBondContact OD1-CG 3.24Å; D102-R129 IonicContact OD1-CZ 2.9Å; D102-R129 IonicContact OD1-NE 2.54Å; D102-R129 PolarHBondContact OD1-NE 3.22Å; D102-R129 IonicContact OD1-NH2 3.58Å; D102-R129 IonicContact OD2-CZ 3.74Å; D102-R129 IonicContact OD2-NE 3.41Å; D102-R129 IonicContact OD2-NH2 3.03Å; D102-R129 PolarHBondContact OD2-NH2 3.11Å; R129-I141 WeakPolarHBondContact O-CA 3.43Å; R129-N142 PolarHBondContact N-O 3.11Å; R129-N142 PolarHBondContact O-N 3.37Å
130V98.1Very high87.9Confident0 Ų080 Ų800%040%0.401CS..EExtended strand (participates in β ladder)trans-121.3126.7-179.3-174.60000108.7A62 A65 A66 K100 V101 A128 F132 P139 A140 I141A62-V130 HydrophobicContact CB-CB 4.08Å; A62-V130 HydrophobicContact CB-CG1 4.48Å; A62-V130 HydrophobicContact CB-CG2 4.04Å; A65-V130 HydrophobicContact CB-CG1 4.46Å; A66-V130 HydrophobicContact CB-CG2 4.08Å; K100-V130 CarbonylContact C-O 3.58Å; K100-V130 WeakPolarHBondContact CA-O 3.09Å; V101-V130 PolarHBondContact N-O 3.11Å; V101-V130 PolarHBondContact O-N 2.78Å; A128-V130 HydrophobicContact CB-CG2 4.38Å; V130-F132 HydrophobicContact CB-CE2 4.19Å; V130-F132 HydrophobicContact CG1-CD2 3.94Å; V130-F132 HydrophobicContact CG1-CE1 4.17Å; V130-F132 HydrophobicContact CG1-CE2 3.44Å; V130-F132 VanDerWaalsContact CG1-CE2 3.44Å; V130-F132 HydrophobicContact CG1-CG 4.49Å; V130-F132 HydrophobicContact CG1-CZ 3.58Å; V130-P139 HydrophobicContact CG1-CB 3.82Å; V130-P139 HydrophobicContact CG1-CG 4.31Å; V130-A140 WeakPolarHBondContact CA-O 3.27Å; V130-I141 HydrophobicContact CG1-CD1 4.47Å; V130-I141 HydrophobicContact CG1-CG1 4.17Å; V130-I141 HydrophobicContact CG2-CG1 4.33Å
131V97.3Very high90.6Very high56 Ų5671 Ų7134%0.33936%0.359SS..EExtended strand (participates in β ladder)trans-114.4111.3176.2-176.30000108.3K100 P139 A140K100-V131 HydrophobicContact CG-CG2 4.23Å; V131-P139 VanDerWaalsContact O-CA 3.3Å; V131-P139 WeakPolarHBondContact O-CA 3.42Å; V131-P139 WeakPolarHBondContact O-CB 3.33Å; V131-A140 HydrophobicContact CB-CB 4.3Å; V131-A140 PolarHBondContact N-O 2.95Å; V131-A140 PolarHBondContact O-N 3.47Å
132F95.8Very high92.7Very high3 Ų373.3 Ų73.31%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-94.2130.5171.4-59.9-88.3000109.6L58 Q61 A62 A65 G98 C99 V101 V130 P139 T207 T208 Q209L58-F132 HydrophobicContact CD1-CD2 4.48Å; L58-F132 HydrophobicContact CD1-CE2 4.26Å; Q61-F132 HydrophobicContact CG-CE1 4.4Å; Q61-F132 HydrophobicContact CG-CZ 4.11Å; A62-F132 HydrophobicContact CB-CE2 4.06Å; A62-F132 HydrophobicContact CB-CZ 4.38Å; A65-F132 HydrophobicContact CB-CZ 4.43Å; G98-F132 CarbonylContact C-O 3.55Å; G98-F132 WeakPolarHBondContact CA-O 3.46Å; C99-F132 PolarHBondContact N-O 3.4Å; C99-F132 PolarHBondContact O-N 3.03Å; C99-F132 VanDerWaalsContact SG-CD2 3.58Å; V101-F132 HydrophobicContact CG2-CD2 4.38Å; V101-F132 HydrophobicContact CG2-CE2 4.25Å; V130-F132 HydrophobicContact CB-CE2 4.19Å; V130-F132 HydrophobicContact CG1-CD2 3.94Å; V130-F132 HydrophobicContact CG1-CE1 4.17Å; V130-F132 HydrophobicContact CG1-CE2 3.44Å; V130-F132 VanDerWaalsContact CG1-CE2 3.44Å; V130-F132 HydrophobicContact CG1-CG 4.49Å; V130-F132 HydrophobicContact CG1-CZ 3.58Å; F132-P139 HydrophobicContact CD1-CB 3.76Å; F132-P139 HydrophobicContact CD1-CG 4.18Å; F132-P139 HydrophobicContact CE1-CB 3.98Å; F132-P139 HydrophobicContact CE1-CG 3.99Å; F132-P139 HydrophobicContact CG-CB 4.29Å; F132-T207 HydrophobicContact CE1-CG2 3.99Å; F132-T208 VanDerWaalsContact CE1-O 3.3Å; F132-T208 WeakPolarHBondContact CE1-O 3.44Å; F132-Q209 HydrophobicContact CB-CG 3.28Å; F132-Q209 HydrophobicContact CD1-CG 3.99Å; F132-Q209 HydrophobicContact CD2-CG 4.37Å; F132-Q209 HydrophobicContact CG-CG 3.66Å
133K93.8Very high94.3Very high130 Ų13065.9 Ų65.957%0.56533%0.33SS*.EExtended strand (participates in β ladder)trans-92.3145.4169-67.9-179-179.6-178.20108.9Q135 K136K133-Q135 PolarHBondContact O-N 2.9Å; K133-K136 HydrophobicContact CB-CB 3.98Å; K133-K136 HydrophobicContact CB-CD 4.43Å; K133-K136 PolarHBondContact O-N 3.17Å
134N88.6Confident95.2Very high48 Ų4866.2 Ų66.226%0.25734%0.336SS..THydrogen-bonded Turntrans-56.5131.8178.5-77.8-20.8000111.8P95 K96 G98 K136 Q209P95-N134 PolarHBondContact O-ND2 3.43Å; K96-N134 PolarHBondContact O-ND2 3.41Å; K96-N134 VanDerWaalsContact O-ND2 3.09Å; G98-N134 VanDerWaalsContact CA-OD1 3.23Å; G98-N134 WeakPolarHBondContact CA-OD1 3.46Å; G98-N134 PolarHBondContact N-ND2 3.47Å; N134-K136 WeakPolarHBondContact O-CG 3.5Å; N134-K136 PolarHBondContact O-N 2.54Å; N134-Q209 PolarHBondContact OD1-NE2 3.37Å
135Q81.3Confident95.5Very high196 Ų19667.2 Ų67.292%0.91634%0.343SS*.THydrogen-bonded Turntrans52.121.1175.8-55.2174.718.400114.1K133K133-Q135 PolarHBondContact O-N 2.9Å
136K90.4Very high95.4Very high132 Ų13265.8 Ų65.857%0.57434%0.343SS*.  trans-121.4128.9-179.9-73.5-175.1-179.2-173.40109.3K133 N134K133-K136 HydrophobicContact CB-CB 3.98Å; K133-K136 HydrophobicContact CB-CD 4.43Å; K133-K136 PolarHBondContact O-N 3.17Å; N134-K136 WeakPolarHBondContact O-CG 3.5Å; N134-K136 PolarHBondContact O-N 2.54Å
137P93.4Very high94.8Very high75 Ų7575.2 Ų75.249%0.48738%0.378SS..SBendtrans-74-178.2174.537.4-38.7000109.5E205 T207 T208P137-E205 WeakPolarHBondContact CB-O 3.49Å; P137-T207 CarbonylContact C-O 3.53Å; P137-T207 VanDerWaalsContact CA-O 3.29Å; P137-T207 WeakPolarHBondContact CA-O 3.11Å; P137-T208 HydrophobicContact CB-CG2 4.13Å
138R95.8Very high94.1Very high129 Ų12973.3 Ų73.349%0.48736%0.363SS..SBendtrans6170177.1-165.4-178.2177.9160.5-7.7113.2W204 E205 T207R138-W204 HydrophobicContact CG-CH2 4.26Å; R138-W204 HydrophobicContact CG-CZ2 3.9Å; R138-E205 WeakPolarHBondContact CA-O 3.14Å; R138-E205 HydrophobicContact CB-CG 4.26Å; R138-E205 WeakPolarHBondContact CB-O 3.4Å; R138-E205 HydrophobicContact CG-CG 4.25Å; R138-E205 IonicContact CZ-OE1 2.77Å; R138-E205 PolarHBondContact N-O 2.93Å; R138-E205 IonicContact NH1-OE1 3.68Å; R138-E205 PolarHBondContact NH1-OE1 3.34Å; R138-T207 PolarHBondContact N-O 3.21Å; R138-T207 VanDerWaalsContact N-O 3.11Å
139P97.1Very high93.4Very high4 Ų473.8 Ų73.83%0.02636%0.364CS..  trans-60.7149.1176.127.2-36.6000111.4A65 V130 V131 F132 I141 W204 T207A65-P139 HydrophobicContact CB-CG 4.12Å; V130-P139 HydrophobicContact CG1-CB 3.82Å; V130-P139 HydrophobicContact CG1-CG 4.31Å; V131-P139 VanDerWaalsContact O-CA 3.3Å; V131-P139 WeakPolarHBondContact O-CA 3.42Å; V131-P139 WeakPolarHBondContact O-CB 3.33Å; F132-P139 HydrophobicContact CD1-CB 3.76Å; F132-P139 HydrophobicContact CD1-CG 4.18Å; F132-P139 HydrophobicContact CE1-CB 3.98Å; F132-P139 HydrophobicContact CE1-CG 3.99Å; F132-P139 HydrophobicContact CG-CB 4.29Å; P139-I141 HydrophobicContact CB-CG1 4.46Å; P139-I141 HydrophobicContact CG-CD1 4.11Å; P139-I141 HydrophobicContact CG-CG1 4.37Å; P139-W204 PolarHBondContact O-NE1 3.32Å; P139-T207 WeakPolarHBondContact CD-O 3.45Å; P139-T207 HydrophobicContact CG-CG2 4.26Å
140A97.8Very high92.9Very high62 Ų6274.7 Ų74.751%0.51237%0.374SS..EExtended strand (participates in β ladder)trans-79.6130.4171.800000109.5V130 V131V130-A140 WeakPolarHBondContact CA-O 3.27Å; V131-A140 HydrophobicContact CB-CB 4.3Å; V131-A140 PolarHBondContact N-O 2.95Å; V131-A140 PolarHBondContact O-N 3.47Å
141I98.4Very high92.5Very high22 Ų2280.2 Ų80.211%0.11340%0.398CS..EExtended strand (participates in β ladder)trans-131.5130-169.8-59.5-173.4000111A65 A66 F69 R129 V130 P139 V143A65-I141 VanDerWaalsContact C-CD1 3.41Å; A65-I141 HydrophobicContact CB-CD1 3.92Å; A65-I141 VanDerWaalsContact O-CD1 3.23Å; A65-I141 WeakPolarHBondContact O-CD1 3.01Å; A66-I141 HydrophobicContact CB-CG2 4.17Å; F69-I141 HydrophobicContact CB-CB 4.39Å; F69-I141 HydrophobicContact CB-CD1 3.8Å; F69-I141 HydrophobicContact CB-CG2 4.24Å; F69-I141 HydrophobicContact CD1-CB 3.72Å; F69-I141 HydrophobicContact CD1-CG2 3.45Å; F69-I141 VanDerWaalsContact CD1-CG2 3.45Å; F69-I141 HydrophobicContact CE1-CB 4.01Å; F69-I141 HydrophobicContact CE1-CG2 3.99Å; F69-I141 WeakPolarHBondContact CE1-O 3.49Å; F69-I141 HydrophobicContact CG-CB 4.04Å; F69-I141 HydrophobicContact CG-CD1 4.33Å; F69-I141 HydrophobicContact CG-CG2 4.08Å; R129-I141 WeakPolarHBondContact O-CA 3.43Å; V130-I141 HydrophobicContact CG1-CD1 4.47Å; V130-I141 HydrophobicContact CG1-CG1 4.17Å; V130-I141 HydrophobicContact CG2-CG1 4.33Å; P139-I141 HydrophobicContact CB-CG1 4.46Å; P139-I141 HydrophobicContact CG-CD1 4.11Å; P139-I141 HydrophobicContact CG-CG1 4.37Å; I141-V143 HydrophobicContact CG2-CB 4.11Å; I141-V143 HydrophobicContact CG2-CG1 4.11Å
142N98.4Very high92.3Very high110 Ų11085.5 Ų85.559%0.58842%0.417SS*.EExtended strand (participates in β ladder)trans-117.6122.1160.2-173-7.1000107.9A128 R129A128-N142 CarbonylContact C-O 3.49Å; A128-N142 WeakPolarHBondContact CA-O 2.94Å; R129-N142 PolarHBondContact N-O 3.11Å; R129-N142 PolarHBondContact O-N 3.37Å
143V98.1Very high92Very high19 Ų1989.3 Ų89.312%0.11543%0.433CS..EExtended strand (participates in β ladder)trans-137.1135.4-175.759.50000110.3A66 F69 F70 F105 S127 A128 I141A66-V143 HydrophobicContact CB-CB 4.45Å; A66-V143 HydrophobicContact CB-CG2 4.33Å; F69-V143 HydrophobicContact CD1-CG1 3.83Å; F69-V143 HydrophobicContact CE1-CG1 4.3Å; F70-V143 HydrophobicContact CB-CG1 4.09Å; F105-V143 HydrophobicContact CZ-CG2 4.48Å; S127-V143 WeakPolarHBondContact O-CA 3.4Å; A128-V143 HydrophobicContact CB-CB 3.97Å; A128-V143 HydrophobicContact CB-CG2 3.95Å; I141-V143 HydrophobicContact CG2-CB 4.11Å; I141-V143 HydrophobicContact CG2-CG1 4.11Å
144T97.2Very high91.9Very high101 Ų10186.4 Ų86.462%0.6242%0.418SS*.EExtended strand (participates in β ladder)trans-125.3127.3172.2-60.30000108.7C126 S127C126-T144 CarbonylContact C-O 3.56Å; C126-T144 VanDerWaalsContact CA-O 3.27Å; C126-T144 WeakPolarHBondContact CA-O 3.25Å; S127-T144 PolarHBondContact N-O 2.86Å; S127-T144 PolarHBondContact O-N 3.14Å
145C95.3Very high92.1Very high22 Ų2288.5 Ų88.515%0.14943%0.427CS..EExtended strand (participates in β ladder)trans-124144.3178.7-65.90000110.8F70 K125 C126F70-C145 HydrophobicContact CD2-CB 4.15Å; F70-C145 HydrophobicContact CE2-CB 3.72Å; F70-C145 HydrophobicContact CZ-CB 4.07Å; K125-C145 CarbonylContact O-C 3.59Å; K125-C145 WeakPolarHBondContact O-CA 3.1Å; C126-C145 HydrophobicContact CB-CB 4.12Å; C126-C145 WeakPolarHBondContact CB-SG 3.38Å; C126-C145 WeakPolarHBondContact SG-CB 3.34Å; C126-C145 CovalentContact SG-SG 2.04Å; C126-C145 PolarHBondContact SG-SG 3.49Å
146T93.1Very high92.7Very high71 Ų7184.2 Ų84.244%0.43641%0.407SS..  trans-60.2148.1168.262.40000109.8R81 G124 K125 L148R81-T146 VanDerWaalsContact CZ-O 3.22Å; R81-T146 PolarHBondContact NH1-O 3.06Å; R81-T146 PolarHBondContact NH2-O 3.14Å; G124-T146 VanDerWaalsContact CA-OG1 3.3Å; G124-T146 WeakPolarHBondContact CA-OG1 3.47Å; K125-T146 HydrophobicContact CB-CG2 4.16Å; K125-T146 PolarHBondContact N-OG1 3.32Å; K125-T146 PolarHBondContact O-N 3.42Å; K125-T146 PolarHBondContact O-OG1 2.84Å; T146-L148 PolarHBondContact O-N 2.79Å
147R84.9Confident92.8Very high199 Ų19980.3 Ų80.375%0.75139%0.391SS*.  trans-79.1121.4177.6-67.4-177.7-174.3168.24.7109.5
148L84.8Confident92.9Very high29 Ų2977 Ų7715%0.15237%0.369CS..SBendtrans-85.9-21172.2-70.7-177.5000113R81 R109 G124 T146R81-L148 HydrophobicContact CG-CD1 4.24Å; R109-L148 HydrophobicContact CG-CB 4.33Å; R109-L148 HydrophobicContact CG-CD1 3.96Å; R109-L148 PolarHBondContact NH2-O 3.24Å; G124-L148 VanDerWaalsContact CA-CD2 3.47Å; T146-L148 PolarHBondContact O-N 2.79Å
149I84.3Confident92.9Very high15 Ų1575.5 Ų75.58%0.07736%0.364CS..SBendtrans-131.4137.1179.9-34.5-157.1000108.3S78 R109 K153 R154S78-I149 WeakPolarHBondContact O-CD1 3.46Å; R109-I149 VanDerWaalsContact CZ-CD1 3.41Å; R109-I149 VanDerWaalsContact NH1-CD1 3.3Å; R109-I149 VanDerWaalsContact NH2-CG1 3.34Å; I149-K153 HydrophobicContact CG2-CB 4.03Å; I149-K153 HydrophobicContact CG2-CD 4.21Å; I149-K153 HydrophobicContact CG2-CG 4.01Å; I149-R154 HydrophobicContact CB-CB 4.43Å; I149-R154 HydrophobicContact CG2-CB 4.18Å
150E88Confident92.7Very high146 Ų14679.5 Ų79.568%0.68239%0.385SS*.  trans-58.7142.9169.2-67.1-176.6-17700111.3K152 K153 R154E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.32Å; E150-K153 HydrophobicContact CB-CB 4.3Å; E150-K153 PolarHBondContact O-N 2.92Å; E150-R154 WeakPolarHBondContact O-CB 3.08Å; E150-R154 PolarHBondContact O-N 3.02Å
151K89.9Confident92.4Very high115 Ų11577.5 Ų77.550%0.537%0.365SS..Hα-helixtrans-56-43.3-176.9-176.2-179.5176.8-175.10112Q155K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.45Å; K151-Q155 PolarHBondContact O-N 2.89Å
152K91.1Very high92.1Very high168 Ų16877.3 Ų77.373%0.7336%0.363SS*.Hα-helixtrans-66.7-46.1-178.8-172.1-179.5180-176.20111.6E150 Q155 Q156E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.32Å; K152-Q155 PolarHBondContact O-N 3.27Å; K152-Q156 PolarHBondContact O-N 2.98Å
153K90.5Very high91.8Very high82 Ų8276.2 Ų76.236%0.35735%0.353SS..Hα-helixtrans-60.9-46.5177-178.4169.8179.71710111.3I149 E150 Q155 Q156 E157I149-K153 HydrophobicContact CG2-CB 4.03Å; I149-K153 HydrophobicContact CG2-CD 4.21Å; I149-K153 HydrophobicContact CG2-CG 4.01Å; E150-K153 HydrophobicContact CB-CB 4.3Å; E150-K153 PolarHBondContact O-N 2.92Å; K153-Q155 PolarHBondContact O-N 3.44Å; K153-Q156 WeakPolarHBondContact O-CB 3.37Å; K153-Q156 PolarHBondContact O-N 3.41Å; K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact CG-OE1 3.1Å; K153-E157 WeakPolarHBondContact O-CG 3.13Å; K153-E157 PolarHBondContact O-N 3.02Å
154R91.1Very high91.3Very high69 Ų6979.1 Ų79.126%0.2637%0.365SS..Hα-helixtrans-56.4-48.1174.8-177.5-170.564.9-169.55.9112.3S76 A79 I149 E150 Q156 E157 D158S76-R154 WeakPolarHBondContact OG-CD 3.47Å; S76-R154 VanDerWaalsContact OG-CG 3.3Å; S76-R154 WeakPolarHBondContact OG-CG 3.37Å; A79-R154 HydrophobicContact CB-CG 4.3Å; I149-R154 HydrophobicContact CB-CB 4.43Å; I149-R154 HydrophobicContact CG2-CB 4.18Å; E150-R154 WeakPolarHBondContact O-CB 3.08Å; E150-R154 PolarHBondContact O-N 3.02Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 PolarHBondContact O-N 2.81Å; R154-E157 PolarHBondContact O-N 2.89Å; R154-D158 WeakPolarHBondContact O-CB 3.23Å; R154-D158 VanDerWaalsContact O-CG 3.3Å; R154-D158 PolarHBondContact O-N 2.89Å
155Q93.3Very high90.9Very high92 Ų9274.3 Ų74.343%0.4334%0.336SS..Hα-helixtrans-61.4-38.3178.5-75.2172.9-37.200112.4K151 K152 K153 Y159K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.45Å; K151-Q155 PolarHBondContact O-N 2.89Å; K152-Q155 PolarHBondContact O-N 3.27Å; K153-Q155 PolarHBondContact O-N 3.44Å; Q155-Y159 WeakPolarHBondContact O-CB 3.3Å; Q155-Y159 PolarHBondContact O-N 3.37Å
156Q94.4Very high90.4Very high106 Ų10677.1 Ų77.150%0.49535%0.345SS..Hα-helixtrans-65.6-47.9176.3-177.362.431.200111.6K152 K153 R154 Y159 L160K152-Q156 PolarHBondContact O-N 2.98Å; K153-Q156 WeakPolarHBondContact O-CB 3.37Å; K153-Q156 PolarHBondContact O-N 3.41Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 PolarHBondContact O-N 2.81Å; Q156-Y159 PolarHBondContact O-N 3.43Å; Q156-L160 HydrophobicContact CG-CD1 4.48Å; Q156-L160 WeakPolarHBondContact O-CG 3.23Å; Q156-L160 PolarHBondContact O-N 3.23Å
157E92.8Very high90Very high51 Ų5181.1 Ų81.124%0.23836%0.359CS..Hα-helixtrans-63.1-45179.1-68.5172.7-178.400111.5S78 K153 R154 Y159 L160 L161S78-E157 WeakPolarHBondContact CB-OE2 3.37Å; S78-E157 WeakPolarHBondContact OG-CB 3.32Å; S78-E157 PolarHBondContact OG-OE2 2.83Å; K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact CG-OE1 3.1Å; K153-E157 WeakPolarHBondContact O-CG 3.13Å; K153-E157 PolarHBondContact O-N 3.02Å; R154-E157 PolarHBondContact O-N 2.89Å; E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 2.97Å; E157-L160 PolarHBondContact O-N 3Å; E157-L161 PolarHBondContact O-N 3.12Å
158D94.7Very high89.6Confident4 Ų472.4 Ų72.42%0.02133%0.327CS..Hα-helixtrans-60.1-39.8175.2-71.8-28.1000111.4S76 S78 R154 L161 Y162 W256 P258S76-D158 VanDerWaalsContact CB-OD2 3.3Å; S76-D158 WeakPolarHBondContact CB-OD2 3.38Å; S76-D158 PolarHBondContact OG-OD1 3.44Å; S76-D158 PolarHBondContact OG-OD2 3.28Å; S78-D158 WeakPolarHBondContact CB-OD1 3.36Å; S78-D158 PolarHBondContact N-OD1 3.5Å; S78-D158 PolarHBondContact OG-OD1 3.04Å; R154-D158 WeakPolarHBondContact O-CB 3.23Å; R154-D158 VanDerWaalsContact O-CG 3.3Å; R154-D158 PolarHBondContact O-N 2.89Å; D158-L161 PolarHBondContact O-N 2.9Å; D158-Y162 WeakPolarHBondContact O-CB 3.47Å; D158-Y162 PolarHBondContact O-N 3.32Å; D158-W256 HydrophobicContact CB-CZ2 4.21Å; D158-W256 WeakPolarHBondContact O-CH2 3.49Å; D158-P258 HydrophobicContact CB-CB 4.2Å
159Y94.9Very high88.9Confident99 Ų9980 Ų8039%0.38836%0.359SS..Hα-helixtrans-70.6-33.4178.7-173.9-110.8000113.1Q155 Q156 E157 Y162 K163Q155-Y159 WeakPolarHBondContact O-CB 3.3Å; Q155-Y159 PolarHBondContact O-N 3.37Å; Q156-Y159 PolarHBondContact O-N 3.43Å; E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 2.97Å; Y159-Y162 HydrophobicContact CD2-CD1 4.06Å; Y159-Y162 AromaticContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CE1 4.34Å; Y159-Y162 PolarHBondContact O-N 3.21Å; Y159-K163 HydrophobicContact CD1-CD 4.36Å; Y159-K163 HydrophobicContact CE1-CD 3.76Å; Y159-K163 HydrophobicContact CE1-CG 4.34Å; Y159-K163 PolarHBondContact O-N 2.81Å; Y159-K163 VanDerWaalsContact O-N 3.11Å
160L93.3Very high87.9Confident88 Ų8885.8 Ų85.846%0.46139%0.39SS..Hα-helixtrans-66-45.4172.4-70.3173.6000111Q156 E157 Y162 K163 Q164Q156-L160 HydrophobicContact CG-CD1 4.48Å; Q156-L160 WeakPolarHBondContact O-CG 3.23Å; Q156-L160 PolarHBondContact O-N 3.23Å; E157-L160 PolarHBondContact O-N 3Å; L160-Y162 VanDerWaalsContact C-N 3.32Å; L160-Y162 PolarHBondContact O-N 2.63Å; L160-K163 PolarHBondContact O-N 2.87Å; L160-Q164 PolarHBondContact O-N 3.09Å
161L91.7Very high86.7Confident19 Ų1979.7 Ų79.710%0.09936%0.363CS..Hα-helixtrans-57.1-47.2174-17767.4000111P77 E157 D158 K163 Q164 M165 P190 W256P77-L161 HydrophobicContact CB-CD2 3.46Å; P77-L161 VanDerWaalsContact CB-CD2 3.46Å; P77-L161 HydrophobicContact CG-CD2 3.56Å; E157-L161 PolarHBondContact O-N 3.12Å; D158-L161 PolarHBondContact O-N 2.9Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.29Å; L161-Q164 WeakPolarHBondContact O-CB 3.35Å; L161-Q164 PolarHBondContact O-N 3.43Å; L161-Q164 VanDerWaalsContact O-N 3.14Å; L161-M165 HydrophobicContact CD1-CG 4.42Å; L161-M165 HydrophobicContact CG-CG 4.31Å; L161-M165 VanDerWaalsContact O-CG 3.27Å; L161-M165 WeakPolarHBondContact O-CG 3.35Å; L161-M165 PolarHBondContact O-N 3.12Å; L161-P190 HydrophobicContact CD1-CB 3.55Å; L161-P190 HydrophobicContact CD1-CG 3.93Å; L161-W256 HydrophobicContact CB-CH2 4.45Å; L161-W256 HydrophobicContact CD2-CH2 4.18Å; L161-W256 HydrophobicContact CG-CH2 4.39Å
162Y93.1Very high85.6Confident19 Ų1978.9 Ų78.98%0.07536%0.364CS..Hα-helixtrans-54.1-48175.8167.5-104000112.9D158 Y159 L160 Q164 M165 K166 D229 I231 W256 Y257 P258D158-Y162 WeakPolarHBondContact O-CB 3.47Å; D158-Y162 PolarHBondContact O-N 3.32Å; Y159-Y162 HydrophobicContact CD2-CD1 4.06Å; Y159-Y162 AromaticContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CE1 4.34Å; Y159-Y162 PolarHBondContact O-N 3.21Å; L160-Y162 VanDerWaalsContact C-N 3.32Å; L160-Y162 PolarHBondContact O-N 2.63Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 2.81Å; Y162-M165 PolarHBondContact O-N 3.45Å; Y162-K166 HydrophobicContact CD2-CG 4.28Å; Y162-K166 HydrophobicContact CE1-CG 4.22Å; Y162-K166 HydrophobicContact CE2-CD 3.82Å; Y162-K166 HydrophobicContact CE2-CG 3.68Å; Y162-K166 WeakPolarHBondContact O-CG 3.5Å; Y162-K166 PolarHBondContact O-N 3.11Å; Y162-D229 WeakPolarHBondContact CE2-O 3.48Å; Y162-D229 VanDerWaalsContact CZ-O 3.27Å; Y162-D229 PolarHBondContact OH-O 3.16Å; Y162-I231 HydrophobicContact CD2-CD1 4.06Å; Y162-I231 HydrophobicContact CD2-CG1 3.79Å; Y162-I231 HydrophobicContact CE2-CD1 4.09Å; Y162-I231 HydrophobicContact CE2-CG1 4.08Å; Y162-W256 HydrophobicContact CD2-CZ3 4.31Å; Y162-Y257 HydrophobicContact CE1-CE2 4.38Å; Y162-Y257 HydrophobicContact CE2-CD2 4.1Å; Y162-Y257 HydrophobicContact CE2-CE2 4.21Å; Y162-P258 VanDerWaalsContact CB-CG 3.41Å; Y162-P258 HydrophobicContact CD1-CG 4.49Å; Y162-P258 HydrophobicContact CD2-CG 4.32Å; Y162-P258 HydrophobicContact CG-CG 3.83Å
163K91.7Very high84.6Confident86 Ų8676.4 Ų76.437%0.37436%0.355SS..Hα-helixtrans-62.5-40.4177.7-74.2-172.8-73.8-179.70112.3Y159 L160 L161 K166 Q167Y159-K163 HydrophobicContact CD1-CD 4.36Å; Y159-K163 HydrophobicContact CE1-CD 3.76Å; Y159-K163 HydrophobicContact CE1-CG 4.34Å; Y159-K163 PolarHBondContact O-N 2.81Å; Y159-K163 VanDerWaalsContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 2.87Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.29Å; K163-K166 PolarHBondContact O-N 2.92Å; K163-Q167 WeakPolarHBondContact O-CG 3.49Å; K163-Q167 PolarHBondContact O-N 3.37Å
164Q88.4Confident83.9Confident80 Ų8079.7 Ų79.737%0.37438%0.375SS..Hα-helixtrans-61.9-45.5174.2-176.8178.4-2.900111.1L160 L161 Y162 K166 Q167 L168L160-Q164 PolarHBondContact O-N 3.09Å; L161-Q164 WeakPolarHBondContact O-CB 3.35Å; L161-Q164 PolarHBondContact O-N 3.43Å; L161-Q164 VanDerWaalsContact O-N 3.14Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 2.81Å; Q164-K166 VanDerWaalsContact C-N 3.34Å; Q164-K166 PolarHBondContact O-N 3.32Å; Q164-Q167 PolarHBondContact O-N 3.27Å; Q164-L168 PolarHBondContact O-N 3.46Å
165M87.1Confident83.5Confident0 Ų077.3 Ų77.30%037%0.368CS..Hα-helixtrans-63-34.8178.8-66.4-53.4-65.300113.3L161 Y162 Q167 L168 P190 I191 L194 I231 F233L161-M165 HydrophobicContact CD1-CG 4.42Å; L161-M165 HydrophobicContact CG-CG 4.31Å; L161-M165 VanDerWaalsContact O-CG 3.27Å; L161-M165 WeakPolarHBondContact O-CG 3.35Å; L161-M165 PolarHBondContact O-N 3.12Å; Y162-M165 PolarHBondContact O-N 3.45Å; M165-Q167 PolarHBondContact O-N 2.86Å; M165-L168 HydrophobicContact CE-CD1 3.92Å; M165-L168 PolarHBondContact O-N 2.91Å; M165-L168 HydrophobicContact SD-CD1 3.46Å; M165-L168 WeakPolarHBondContact SD-CD1 3.33Å; M165-P190 HydrophobicContact SD-CB 3.33Å; M165-P190 WeakPolarHBondContact SD-CB 3.47Å; M165-I191 HydrophobicContact CE-CG1 3.91Å; M165-L194 HydrophobicContact CE-CD1 3.91Å; M165-L194 HydrophobicContact CG-CD1 4.13Å; M165-L194 HydrophobicContact SD-CD1 4.37Å; M165-I231 HydrophobicContact CB-CD1 3.61Å; M165-I231 HydrophobicContact CB-CG1 4.11Å; M165-F233 HydrophobicContact CE-CE2 3.3Å; M165-F233 HydrophobicContact CE-CZ 3.36Å
166K86Confident83.4Confident81 Ų8175.4 Ų75.435%0.35237%0.365SS..Hα-helixtrans-70.1-20.2174.5-67.7-64.1-72.5-167.90113.4Y162 K163 Q164 D228 T230 I231Y162-K166 HydrophobicContact CD2-CG 4.28Å; Y162-K166 HydrophobicContact CE1-CG 4.22Å; Y162-K166 HydrophobicContact CE2-CD 3.82Å; Y162-K166 HydrophobicContact CE2-CG 3.68Å; Y162-K166 WeakPolarHBondContact O-CG 3.5Å; Y162-K166 PolarHBondContact O-N 3.11Å; K163-K166 PolarHBondContact O-N 2.92Å; Q164-K166 VanDerWaalsContact C-N 3.34Å; Q164-K166 PolarHBondContact O-N 3.32Å; K166-D228 PolarHBondContact NZ-O 2.95Å; K166-T230 PolarHBondContact NZ-O 2.73Å; K166-I231 HydrophobicContact CD-CD1 3.52Å; K166-I231 HydrophobicContact CG-CD1 3.94Å
167Q84Confident83.3Confident156 Ų15670.5 Ų70.573%0.72934%0.342SS*.Hα-helixtrans-93-11-180-68.5176.9-4.900113.3K163 Q164 M165 K169K163-Q167 WeakPolarHBondContact O-CG 3.49Å; K163-Q167 PolarHBondContact O-N 3.37Å; Q164-Q167 PolarHBondContact O-N 3.27Å; M165-Q167 PolarHBondContact O-N 2.86Å; Q167-K169 PolarHBondContact O-N 2.74Å
168L77.1Confident83.4Confident15 Ų1569.1 Ų69.18%0.07934%0.338CS..  trans-61.1121.1174.6-93.9125.7000109.7Q164 M165 Y187 I191Q164-L168 PolarHBondContact O-N 3.46Å; M165-L168 HydrophobicContact CE-CD1 3.92Å; M165-L168 PolarHBondContact O-N 2.91Å; M165-L168 HydrophobicContact SD-CD1 3.46Å; M165-L168 WeakPolarHBondContact SD-CD1 3.33Å; L168-Y187 HydrophobicContact CD2-CE1 3.71Å; L168-Y187 WeakPolarHBondContact CD2-OH 3.43Å; L168-I191 HydrophobicContact CD2-CD1 3.97Å
169K68.6Low83.3Confident188 Ų18871.7 Ų71.782%0.81735%0.351SS*.  trans-78133.3172.3-66.3-179.7179.3179.10107.6Q167Q167-K169 PolarHBondContact O-N 2.74Å
170N64.5Low83.1Confident138 Ų13874 Ų7474%0.73837%0.37SS*.SBendtrans11.8101.3177.9-68.8-12.7000114.3L172N170-L172 PolarHBondContact O-N 3.09Å
171P63.7Low83.1Confident17 Ų1778.1 Ų78.111%0.1139%0.387CS..  trans-58144179.1-7.817000110.6E173 V221 Q223 F233P171-E173 PolarHBondContact O-N 3.09Å; P171-V221 HydrophobicContact CB-CG1 3.86Å; P171-V221 HydrophobicContact CB-CG2 4.04Å; P171-Q223 HydrophobicContact CG-CB 3.28Å; P171-Q223 HydrophobicContact CG-CG 4.46Å; P171-F233 HydrophobicContact CB-CE1 4.27Å; P171-F233 HydrophobicContact CG-CD1 4.44Å; P171-F233 HydrophobicContact CG-CE1 3.59Å; P171-F233 HydrophobicContact CG-CZ 4.43Å
172L65.5Low83Confident99 Ų9979.8 Ų79.852%0.51841%0.409SS..  trans-55.2118.1177.8-62.9167.6000110.1N170 I174 V175 L188 V221N170-L172 PolarHBondContact O-N 3.09Å; L172-I174 PolarHBondContact O-N 2.66Å; L172-V175 HydrophobicContact CB-CG1 3.28Å; L172-V175 HydrophobicContact CD1-CG1 3.69Å; L172-V175 HydrophobicContact CG-CG1 4.12Å; L172-L188 HydrophobicContact CD1-CD2 4.25Å; L172-V221 VanDerWaalsContact O-CG1 3.27Å; L172-V221 WeakPolarHBondContact O-CG1 3.3Å
173E71.1Confident82.9Confident115 Ų11584.3 Ų84.354%0.53743%0.43SS..SBendtrans-63.4-27.8-177.9-69.6-166.714000112.9P171 S220 R222P171-E173 PolarHBondContact O-N 3.09Å; E173-S220 WeakPolarHBondContact O-CA 3.41Å; E173-S220 VanDerWaalsContact O-CB 3.3Å; E173-S220 WeakPolarHBondContact O-CB 3.37Å; E173-S220 PolarHBondContact O-OG 3.49Å; E173-R222 IonicContact OE1-CZ 3.58Å; E173-R222 IonicContact OE1-NE 3.72Å; E173-R222 IonicContact OE1-NH2 2.71Å; E173-R222 PolarHBondContact OE1-NH2 3.34Å
174I74.4Confident82.8Confident152 Ų15281.5 Ų81.578%0.77942%0.419SS*.SBendtrans-129125.9176.1-58.7174.8000107.7L172L172-I174 PolarHBondContact O-N 2.66Å
175V82.6Confident82.8Confident19 Ų1981.5 Ų81.512%0.11542%0.422CS..  trans-141.4163.2179.6-68.40000109.9L172 I177 L218 T219 V221L172-V175 HydrophobicContact CB-CG1 3.28Å; L172-V175 HydrophobicContact CD1-CG1 3.69Å; L172-V175 HydrophobicContact CG-CG1 4.12Å; V175-I177 HydrophobicContact CB-CD1 4.02Å; V175-I177 HydrophobicContact CB-CG1 4.13Å; V175-I177 HydrophobicContact CG1-CD1 4.39Å; V175-I177 HydrophobicContact CG2-CD1 3.92Å; V175-I177 HydrophobicContact CG2-CG1 4.29Å; V175-L218 HydrophobicContact CG2-CD2 4.47Å; V175-L218 HydrophobicContact CG2-CG 4.14Å; V175-T219 PolarHBondContact N-O 3.5Å; V175-T219 CarbonylContact O-C 3.59Å; V175-T219 WeakPolarHBondContact O-CA 3.23Å; V175-V221 HydrophobicContact CG1-CG1 4.4Å; V175-V221 HydrophobicContact CG2-CG1 4.15Å
176S91.8Very high82.9Confident51 Ų5186.4 Ų86.436%0.35745%0.453SS..  trans-129.599.4165.21770000106.5P178 D179 Q217S176-P178 CarbonylContact C-O 3.52Å; S176-P178 CarbonylContact O-C 3.21Å; S176-P178 VanDerWaalsContact O-C 3.26Å; S176-P178 PolarHBondContact OG-O 3.45Å; S176-P178 VanDerWaalsContact OG-O 3.13Å; S176-D179 PolarHBondContact O-N 3.25Å; S176-Q217 PolarHBondContact OG-NE2 3.37Å
177I92.8Very high82.9Confident3 Ų388.2 Ų88.22%0.01546%0.459CS..BIsolated β-bridgetrans-124.5120.5179.7-55.2160.6000108.4V175 I184 L188 W192 Q217 L218V175-I177 HydrophobicContact CB-CD1 4.02Å; V175-I177 HydrophobicContact CB-CG1 4.13Å; V175-I177 HydrophobicContact CG1-CD1 4.39Å; V175-I177 HydrophobicContact CG2-CD1 3.92Å; V175-I177 HydrophobicContact CG2-CG1 4.29Å; I177-I184 HydrophobicContact CG2-CB 4.33Å; I177-I184 HydrophobicContact CG2-CD1 4.19Å; I177-I184 HydrophobicContact CG2-CG1 3.9Å; I177-I184 HydrophobicContact CG2-CG2 3.74Å; I177-L188 HydrophobicContact CD1-CB 3.92Å; I177-L188 HydrophobicContact CD1-CD1 3.94Å; I177-L188 HydrophobicContact CD1-CG 4.34Å; I177-L188 HydrophobicContact CG1-CB 4.48Å; I177-L188 HydrophobicContact CG1-CD1 4.06Å; I177-W192 HydrophobicContact CB-CE3 4.25Å; I177-W192 HydrophobicContact CG2-CB 3.94Å; I177-W192 HydrophobicContact CG2-CD2 4.09Å; I177-W192 HydrophobicContact CG2-CE3 3.77Å; I177-W192 HydrophobicContact CG2-CG 4.2Å; I177-W192 WeakPolarHBondContact O-CZ3 3.39Å; I177-Q217 CarbonylContact O-C 3.52Å; I177-Q217 WeakPolarHBondContact O-CA 3.45Å; I177-L218 HydrophobicContact CB-CB 4.28Å; I177-L218 HydrophobicContact CD1-CD2 4.04Å; I177-L218 PolarHBondContact N-O 2.59Å; I177-L218 PolarHBondContact O-N 2.95Å
178P94.3Very high83.1Confident23 Ų2382.2 Ų82.215%0.14943%0.432CS..SBendcis-58.9163.7-15.128.4-35000112.5S176 H183 I184 W192 Q217S176-P178 CarbonylContact C-O 3.52Å; S176-P178 CarbonylContact O-C 3.21Å; S176-P178 VanDerWaalsContact O-C 3.26Å; S176-P178 PolarHBondContact OG-O 3.45Å; S176-P178 VanDerWaalsContact OG-O 3.13Å; P178-H183 WeakPolarHBondContact CA-O 3.43Å; P178-H183 WeakPolarHBondContact CB-O 3.34Å; P178-I184 HydrophobicContact CB-CD1 4.35Å; P178-I184 HydrophobicContact CB-CG1 3.74Å; P178-W192 VanDerWaalsContact CD-CH2 3.48Å; P178-Q217 PolarHBondContact O-NE2 3.43Å
179D92Very high83.6Confident58 Ų5884.4 Ų84.431%0.3144%0.439SS..  trans-68.2178.7169.571.614.1000111.5S176 H181 G182 H183S176-D179 PolarHBondContact O-N 3.25Å; D179-H181 PolarHBondContact O-N 3.5Å; D179-H181 WeakPolarHBondContact OD1-CA 3.36Å; D179-H181 WeakPolarHBondContact OD1-CB 3.34Å; D179-H181 PolarHBondContact OD1-N 3.24Å; D179-G182 PolarHBondContact O-N 3.44Å; D179-G182 PolarHBondContact OD1-N 3.34Å; D179-G182 VanDerWaalsContact OD1-N 3.12Å; D179-H183 PolarHBondContact N-O 2.98Å; D179-H183 PolarHBondContact OD1-N 3.11Å; D179-H183 WeakPolarHBondContact OD2-CB 3.49Å
180N91.4Very high84.7Confident146 Ų14675.8 Ų75.878%0.78140%0.402SS*.THydrogen-bonded Turntrans-63.5-10.4-178.3-64.2-20.7000113.9
181H92.6Very high86Confident175 Ų17569.4 Ų69.481%0.8137%0.368SS*.THydrogen-bonded Turntrans-104.75.4176.2-59.9-74.5000112.6D179 H183D179-H181 PolarHBondContact O-N 3.5Å; D179-H181 WeakPolarHBondContact OD1-CA 3.36Å; D179-H181 WeakPolarHBondContact OD1-CB 3.34Å; D179-H181 PolarHBondContact OD1-N 3.24Å; H181-H183 VanDerWaalsContact C-N 3.28Å; H181-H183 PolarHBondContact O-N 3.35Å
182G89.6Confident87.4Confident55 Ų5569 Ų6957%0.56737%0.365SS*.SBendtrans80.36.2-178.200000113.8D179D179-G182 PolarHBondContact O-N 3.44Å; D179-G182 PolarHBondContact OD1-N 3.34Å; D179-G182 VanDerWaalsContact OD1-N 3.12Å
183H92Very high88.7Confident113 Ų11364.6 Ų64.652%0.52334%0.341SS..  trans-83.8142.6-179.2-179.773.4000111.3P178 D179 H181P178-H183 WeakPolarHBondContact CA-O 3.43Å; P178-H183 WeakPolarHBondContact CB-O 3.34Å; D179-H183 PolarHBondContact N-O 2.98Å; D179-H183 PolarHBondContact OD1-N 3.11Å; D179-H183 WeakPolarHBondContact OD2-CB 3.49Å; H181-H183 VanDerWaalsContact C-N 3.28Å; H181-H183 PolarHBondContact O-N 3.35Å
184I90.4Very high89.8Confident28 Ų2859.1 Ų59.114%0.14432%0.316CS..  trans-124.7116.8174.2-58177.6000107I177 P178 R189 W192I177-I184 HydrophobicContact CG2-CB 4.33Å; I177-I184 HydrophobicContact CG2-CD1 4.19Å; I177-I184 HydrophobicContact CG2-CG1 3.9Å; I177-I184 HydrophobicContact CG2-CG2 3.74Å; P178-I184 HydrophobicContact CB-CD1 4.35Å; P178-I184 HydrophobicContact CB-CG1 3.74Å; I184-R189 HydrophobicContact CG2-CB 4.24Å; I184-W192 HydrophobicContact CD1-CD2 3.9Å; I184-W192 HydrophobicContact CD1-CG 3.78Å; I184-W192 HydrophobicContact CD1-CZ2 4.48Å
185D88.3Confident90.9Very high80 Ų8051.9 Ų51.943%0.42828%0.278SS..  trans-53.7127.6171.9-175-38.1000109.3Y187 L188 R189D185-Y187 PolarHBondContact O-N 3.3Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.05Å; D185-Y187 PolarHBondContact OD1-N 3.47Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 HydrophobicContact CB-CD1 4.07Å; D185-L188 HydrophobicContact CB-CG 4.12Å; D185-L188 WeakPolarHBondContact O-CA 3.39Å; D185-L188 PolarHBondContact O-N 3.32Å; D185-R189 PolarHBondContact O-N 3.04Å; D185-R189 VanDerWaalsContact O-N 3.1Å
186P88.1Confident91.5Very high102 Ų10251.8 Ų51.866%0.66228%0.277SS*.THydrogen-bonded Turntrans-49.7-32.4177.2-28.935.6000114.5R189P186-R189 WeakPolarHBondContact O-CB 3.33Å; P186-R189 PolarHBondContact O-N 3.2Å
187Y85.6Confident91.7Very high119 Ų11949.4 Ų49.447%0.46726%0.26SS..THydrogen-bonded Turntrans-68.2-32.9176.3-178.6-102.9000113.1L168 D185 P190L168-Y187 HydrophobicContact CD2-CE1 3.71Å; L168-Y187 WeakPolarHBondContact CD2-OH 3.43Å; D185-Y187 PolarHBondContact O-N 3.3Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.05Å; D185-Y187 PolarHBondContact OD1-N 3.47Å; Y187-P190 WeakPolarHBondContact O-CD 3.35Å
188L88.3Confident91.9Very high30 Ų3049.2 Ų49.216%0.15726%0.259CS..THydrogen-bonded Turntrans-87-11.8178.6-61.5177.2000112.6L172 I177 D185 I191 W192L172-L188 HydrophobicContact CD1-CD2 4.25Å; I177-L188 HydrophobicContact CD1-CB 3.92Å; I177-L188 HydrophobicContact CD1-CD1 3.94Å; I177-L188 HydrophobicContact CD1-CG 4.34Å; I177-L188 HydrophobicContact CG1-CB 4.48Å; I177-L188 HydrophobicContact CG1-CD1 4.06Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 HydrophobicContact CB-CD1 4.07Å; D185-L188 HydrophobicContact CB-CG 4.12Å; D185-L188 WeakPolarHBondContact O-CA 3.39Å; D185-L188 PolarHBondContact O-N 3.32Å; L188-I191 HydrophobicContact CD2-CD1 3.92Å; L188-I191 WeakPolarHBondContact O-CB 3.31Å; L188-I191 PolarHBondContact O-N 3.12Å; L188-W192 PolarHBondContact O-N 3.04Å; L188-W192 VanDerWaalsContact O-N 3.1Å
189R88.8Confident92.1Very high61 Ų6148.1 Ų48.123%0.2325%0.252CS..Hα-helixtrans-56.8-42.7-178.6-170.663.3178.7-103.97.6114.2K111 I184 D185 P186 I191 W192 D193K111-R189 VanDerWaalsContact CE-NE 3.33Å; K111-R189 VanDerWaalsContact NZ-CG 3.27Å; I184-R189 HydrophobicContact CG2-CB 4.24Å; D185-R189 PolarHBondContact O-N 3.04Å; D185-R189 VanDerWaalsContact O-N 3.1Å; P186-R189 WeakPolarHBondContact O-CB 3.33Å; P186-R189 PolarHBondContact O-N 3.2Å; R189-I191 VanDerWaalsContact C-N 3.28Å; R189-I191 PolarHBondContact O-N 3.45Å; R189-W192 WeakPolarHBondContact O-CB 3.47Å; R189-W192 PolarHBondContact O-N 3.06Å; R189-D193 IonicContact NE-OD1 3.66Å; R189-D193 PolarHBondContact NE-OD1 3.31Å; R189-D193 PolarHBondContact O-N 3.04Å; R189-D193 VanDerWaalsContact O-OD2 3.09Å
190P90.2Very high92.4Very high8 Ų845.4 Ų45.45%0.05224%0.237CC..Hα-helixtrans-51.5-42.2171.8-33.740.8000114.9L161 M165 Y187 L194L161-P190 HydrophobicContact CD1-CB 3.55Å; L161-P190 HydrophobicContact CD1-CG 3.93Å; M165-P190 HydrophobicContact SD-CB 3.33Å; M165-P190 WeakPolarHBondContact SD-CB 3.47Å; Y187-P190 WeakPolarHBondContact O-CD 3.35Å; P190-L194 PolarHBondContact O-N 3.35Å
191I91.8Very high92.7Very high3 Ų340 Ų402%0.01521%0.206CC..Hα-helixtrans-66.3-47.8178.7-62.4165.8000109.2M165 L168 L188 R189 D193 L194 A195 L218 V221 Y235M165-I191 HydrophobicContact CE-CG1 3.91Å; L168-I191 HydrophobicContact CD2-CD1 3.97Å; L188-I191 HydrophobicContact CD2-CD1 3.92Å; L188-I191 WeakPolarHBondContact O-CB 3.31Å; L188-I191 PolarHBondContact O-N 3.12Å; R189-I191 VanDerWaalsContact C-N 3.28Å; R189-I191 PolarHBondContact O-N 3.45Å; I191-D193 PolarHBondContact O-N 3.32Å; I191-L194 PolarHBondContact O-N 3.28Å; I191-A195 PolarHBondContact O-N 3.11Å; I191-L218 HydrophobicContact CG2-CD2 3.82Å; I191-V221 HydrophobicContact CG2-CB 4.29Å; I191-V221 HydrophobicContact CG2-CG1 4.27Å; I191-V221 HydrophobicContact CG2-CG2 3.94Å; I191-Y235 HydrophobicContact CG2-CE1 3.78Å
192W93.5Very high92.9Very high10 Ų1031.6 Ų31.64%0.03817%0.167CC..Hα-helixtrans-59.4-43.3178.3172.8-98.8000113.1Y110 I177 P178 I184 L188 R189 L194 A195 F196 L215 L218Y110-W192 AromaticContact CZ-NE1 3.82Å; Y110-W192 PolarHBondContact OH-NE1 3.46Å; I177-W192 HydrophobicContact CB-CE3 4.25Å; I177-W192 HydrophobicContact CG2-CB 3.94Å; I177-W192 HydrophobicContact CG2-CD2 4.09Å; I177-W192 HydrophobicContact CG2-CE3 3.77Å; I177-W192 HydrophobicContact CG2-CG 4.2Å; I177-W192 WeakPolarHBondContact O-CZ3 3.39Å; P178-W192 VanDerWaalsContact CD-CH2 3.48Å; I184-W192 HydrophobicContact CD1-CD2 3.9Å; I184-W192 HydrophobicContact CD1-CG 3.78Å; I184-W192 HydrophobicContact CD1-CZ2 4.48Å; L188-W192 PolarHBondContact O-N 3.04Å; L188-W192 VanDerWaalsContact O-N 3.1Å; R189-W192 WeakPolarHBondContact O-CB 3.47Å; R189-W192 PolarHBondContact O-N 3.06Å; W192-L194 VanDerWaalsContact C-N 3.32Å; W192-L194 PolarHBondContact O-N 3.11Å; W192-A195 WeakPolarHBondContact O-CB 2.9Å; W192-A195 PolarHBondContact O-N 2.95Å; W192-F196 WeakPolarHBondContact O-CB 3.44Å; W192-F196 PolarHBondContact O-N 3.35Å; W192-L215 HydrophobicContact CD2-CD2 4.47Å; W192-L215 HydrophobicContact CE3-CD2 4.13Å; W192-L215 HydrophobicContact CH2-CB 4.48Å; W192-L215 HydrophobicContact CH2-CD1 4.46Å; W192-L215 HydrophobicContact CH2-CD2 3.58Å; W192-L215 HydrophobicContact CH2-CG 3.51Å; W192-L215 HydrophobicContact CZ2-CD2 3.92Å; W192-L215 HydrophobicContact CZ2-CG 4.14Å; W192-L215 HydrophobicContact CZ3-CD1 4.42Å; W192-L215 HydrophobicContact CZ3-CD2 3.65Å; W192-L215 HydrophobicContact CZ3-CG 3.83Å; W192-L218 HydrophobicContact CE3-CB 4.03Å; W192-L218 HydrophobicContact CZ3-CB 4.06Å
193D93.7Very high93.3Very high5 Ų529 Ų293%0.02714%0.14CC..Hα-helixtrans-66.7-36.1-179.5-53.9-42.8000112.1P77 L80 K111 R189 I191 F196 L197P77-D193 HydrophobicContact CB-CB 4.28Å; L80-D193 HydrophobicContact CD1-CB 4.08Å; K111-D193 WeakPolarHBondContact CE-OD1 3.49Å; K111-D193 WeakPolarHBondContact CE-OD2 3.18Å; K111-D193 VanDerWaalsContact NZ-CG 3.33Å; K111-D193 IonicContact NZ-OD1 2.93Å; K111-D193 PolarHBondContact NZ-OD1 2.71Å; K111-D193 IonicContact NZ-OD2 3.52Å; K111-D193 PolarHBondContact NZ-OD2 2.9Å; R189-D193 IonicContact NE-OD1 3.66Å; R189-D193 PolarHBondContact NE-OD1 3.31Å; R189-D193 PolarHBondContact O-N 3.04Å; R189-D193 VanDerWaalsContact O-OD2 3.09Å; I191-D193 PolarHBondContact O-N 3.32Å; D193-F196 PolarHBondContact O-N 3.33Å; D193-L197 WeakPolarHBondContact O-CB 3.34Å; D193-L197 PolarHBondContact O-N 2.91Å
194L94.4Very high93.6Very high0 Ų024.6 Ų24.60%012%0.119CC..Hα-helixtrans-68.2-39.9173.3-78.5169.1000111.5P77 M165 P190 I191 W192 F196 L197 G198 I231 F233 Y235 L254 W256P77-L194 HydrophobicContact CG-CD2 3.57Å; P77-L194 HydrophobicContact CG-CG 4.13Å; M165-L194 HydrophobicContact CE-CD1 3.91Å; M165-L194 HydrophobicContact CG-CD1 4.13Å; M165-L194 HydrophobicContact SD-CD1 4.37Å; P190-L194 PolarHBondContact O-N 3.35Å; I191-L194 PolarHBondContact O-N 3.28Å; W192-L194 VanDerWaalsContact C-N 3.32Å; W192-L194 PolarHBondContact O-N 3.11Å; L194-F196 VanDerWaalsContact C-N 3.34Å; L194-L197 HydrophobicContact CD2-CD2 4.39Å; L194-L197 WeakPolarHBondContact O-CB 2.88Å; L194-L197 PolarHBondContact O-N 3.3Å; L194-G198 PolarHBondContact O-N 3.32Å; L194-I231 HydrophobicContact CD1-CG2 4.24Å; L194-F233 HydrophobicContact CD1-CE2 4.39Å; L194-Y235 WeakPolarHBondContact CB-OH 3.4Å; L194-L254 HydrophobicContact CD2-CD2 4.37Å; L194-L254 WeakPolarHBondContact O-CD1 3.28Å; L194-W256 HydrophobicContact CD1-CE3 4.37Å; L194-W256 HydrophobicContact CD2-CB 4.27Å; L194-W256 HydrophobicContact CD2-CD2 3.77Å; L194-W256 HydrophobicContact CD2-CE3 3.99Å; L194-W256 HydrophobicContact CD2-CG 3.89Å
195A95.7Very high93.9Very high0 Ų024.8 Ų24.80%012%0.119CC..Hα-helixtrans-61.9-41.3172.500000111.6I191 W192 G198 S199 L218 Y235I191-A195 PolarHBondContact O-N 3.11Å; W192-A195 WeakPolarHBondContact O-CB 2.9Å; W192-A195 PolarHBondContact O-N 2.95Å; A195-G198 PolarHBondContact O-N 2.99Å; A195-S199 VanDerWaalsContact O-CB 3.24Å; A195-S199 WeakPolarHBondContact O-CB 3.08Å; A195-S199 PolarHBondContact O-N 2.97Å; A195-S199 PolarHBondContact O-OG 3Å; A195-L218 HydrophobicContact CB-CD1 4.36Å; A195-L218 HydrophobicContact CB-CD2 4.11Å; A195-Y235 HydrophobicContact CB-CD1 4.08Å; A195-Y235 HydrophobicContact CB-CD2 4.47Å; A195-Y235 HydrophobicContact CB-CE1 4.04Å; A195-Y235 HydrophobicContact CB-CE2 4.44Å; A195-Y235 HydrophobicContact CB-CG 4.27Å
196F96.1Very high94.2Very high18 Ų1822.4 Ų22.48%0.07911%0.106CC..Hα-helixtrans-63.4-40.9174.3-171.8-82.1000111.9L80 Y110 W192 D193 L194 S199 S200 L215L80-F196 HydrophobicContact CD1-CD1 4.02Å; L80-F196 HydrophobicContact CD2-CD1 3.83Å; L80-F196 HydrophobicContact CD2-CE1 4.19Å; L80-F196 HydrophobicContact CG-CD1 4.49Å; Y110-F196 HydrophobicContact CD2-CZ 4.5Å; Y110-F196 HydrophobicContact CE2-CD2 4.42Å; Y110-F196 HydrophobicContact CE2-CE2 4.1Å; Y110-F196 HydrophobicContact CE2-CZ 4.33Å; W192-F196 WeakPolarHBondContact O-CB 3.44Å; W192-F196 PolarHBondContact O-N 3.35Å; D193-F196 PolarHBondContact O-N 3.33Å; L194-F196 VanDerWaalsContact C-N 3.34Å; F196-S199 PolarHBondContact O-N 3.39Å; F196-S200 PolarHBondContact O-N 3.42Å; F196-S200 PolarHBondContact O-OG 3.4Å; F196-L215 HydrophobicContact CB-CD2 4.01Å; F196-L215 HydrophobicContact CD2-CB 4.31Å; F196-L215 HydrophobicContact CD2-CD2 4.15Å
197L96.3Very high94.4Very high0 Ų017.6 Ų17.60%08%0.075CC..Hα-helixtrans-64.3-44.8176.3-177.467.3000111.6N71 P77 L80 D193 L194 S200 L262N71-L197 WeakPolarHBondContact O-CD1 3.39Å; P77-L197 HydrophobicContact CG-CD2 4Å; L80-L197 HydrophobicContact CD2-CB 4.24Å; L80-L197 HydrophobicContact CD2-CD1 3.72Å; D193-L197 WeakPolarHBondContact O-CB 3.34Å; D193-L197 PolarHBondContact O-N 2.91Å; L194-L197 HydrophobicContact CD2-CD2 4.39Å; L194-L197 WeakPolarHBondContact O-CB 2.88Å; L194-L197 PolarHBondContact O-N 3.3Å; L197-S200 WeakPolarHBondContact O-CB 3.4Å; L197-S200 PolarHBondContact O-N 3.46Å; L197-L262 HydrophobicContact CD2-CD1 4.18Å; L197-L262 HydrophobicContact CD2-CD2 4.19Å; L197-L262 HydrophobicContact CG-CD2 3.86Å
198G97.4Very high94.7Very high0 Ų013.4 Ų13.40%06%0.062CC..Hα-helixtrans-63.7-44.4173.300000112.6L194 A195 S200 Y201 V202L194-G198 PolarHBondContact O-N 3.32Å; A195-G198 PolarHBondContact O-N 2.99Å; G198-S200 PolarHBondContact O-N 3.36Å; G198-Y201 WeakPolarHBondContact O-CB 3.4Å; G198-Y201 PolarHBondContact O-N 2.94Å; G198-V202 PolarHBondContact O-N 3.34Å
199S97.8Very high94.7Very high0 Ų014.5 Ų14.50%07%0.066CC..Hα-helixtrans-61.4-29.4176.3-58.90000111.9A195 F196 Y201 V202 M203A195-S199 VanDerWaalsContact O-CB 3.24Å; A195-S199 WeakPolarHBondContact O-CB 3.08Å; A195-S199 PolarHBondContact O-N 2.97Å; A195-S199 PolarHBondContact O-OG 3Å; F196-S199 PolarHBondContact O-N 3.39Å; S199-Y201 PolarHBondContact O-N 3.17Å; S199-V202 PolarHBondContact O-N 2.92Å; S199-M203 WeakPolarHBondContact O-CB 3.4Å; S199-M203 WeakPolarHBondContact O-CE 3.3Å; S199-M203 VanDerWaalsContact O-CG 3.23Å; S199-M203 WeakPolarHBondContact O-CG 3.3Å; S199-M203 PolarHBondContact O-N 3.11Å
200S97.9Very high94.6Very high0 Ų015.7 Ų15.70%08%0.08CC..Hα-helixtrans-61.7-31.8174.4-62.50000112.8H68 F196 L197 G198 W204H68-S200 WeakPolarHBondContact CB-O 3.37Å; F196-S200 PolarHBondContact O-N 3.42Å; F196-S200 PolarHBondContact O-OG 3.4Å; L197-S200 WeakPolarHBondContact O-CB 3.4Å; L197-S200 PolarHBondContact O-N 3.46Å; G198-S200 PolarHBondContact O-N 3.36Å; S200-W204 WeakPolarHBondContact O-CB 3.44Å; S200-W204 PolarHBondContact O-N 3.03Å
201Y98Very high94.6Very high32 Ų3215.4 Ų15.413%0.1258%0.078CC..Hα-helixtrans-66.9-50.3171.3174.1-96.5000111.1F72 G198 S199 W204 E205 V264 Y266F72-Y201 AromaticContact CD1-CD2 3.88Å; F72-Y201 HydrophobicContact CD1-CD2 3.88Å; F72-Y201 AromaticContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CG 4.06Å; F72-Y201 AromaticContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CE2 4.12Å; F72-Y201 AromaticContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CD2 3.43Å; F72-Y201 VanDerWaalsContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CE2 4.15Å; F72-Y201 HydrophobicContact CE2-CG 4.15Å; F72-Y201 AromaticContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CG 4.41Å; F72-Y201 AromaticContact CZ-CD2 3.49Å; F72-Y201 HydrophobicContact CZ-CD2 3.49Å; F72-Y201 VanDerWaalsContact CZ-CD2 3.49Å; F72-Y201 AromaticContact CZ-CE2 3.84Å; F72-Y201 HydrophobicContact CZ-CE2 3.84Å; G198-Y201 WeakPolarHBondContact O-CB 3.4Å; G198-Y201 PolarHBondContact O-N 2.94Å; S199-Y201 PolarHBondContact O-N 3.17Å; Y201-W204 AromaticContact CD2-CE3 3.99Å; Y201-W204 HydrophobicContact CD2-CE3 3.99Å; Y201-W204 AromaticContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CE2-CE3 4.13Å; Y201-W204 AromaticContact CE2-CZ3 3.69Å; Y201-W204 HydrophobicContact CE2-CZ3 3.69Å; Y201-W204 PolarHBondContact O-N 2.75Å; Y201-E205 WeakPolarHBondContact CE1-OE2 3.47Å; Y201-E205 PolarHBondContact O-N 3.09Å; Y201-E205 PolarHBondContact OH-OE2 3.43Å; Y201-V264 HydrophobicContact CD1-CB 3.71Å; Y201-V264 HydrophobicContact CD1-CG1 3.59Å; Y201-V264 HydrophobicContact CD1-CG2 4.48Å; Y201-V264 HydrophobicContact CE1-CB 4.31Å; Y201-V264 HydrophobicContact CE1-CG1 4.33Å; Y201-V264 HydrophobicContact CG-CB 3.94Å; Y201-V264 HydrophobicContact CG-CG1 4.15Å; Y201-V264 HydrophobicContact CG-CG2 4.26Å; Y201-Y266 HydrophobicContact CD1-CD1 4.24Å; Y201-Y266 HydrophobicContact CD1-CE1 4.5Å; Y201-Y266 AromaticContact CE1-CD1 3.83Å; Y201-Y266 HydrophobicContact CE1-CD1 3.83Å; Y201-Y266 AromaticContact CE1-CE1 3.84Å; Y201-Y266 HydrophobicContact CE1-CE1 3.84Å
202V97.9Very high94.4Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-62.4-47.3-177.7-178.70000111.4G198 S199 W204 E205 M206 L239 I252 V264 Y266G198-V202 PolarHBondContact O-N 3.34Å; S199-V202 PolarHBondContact O-N 2.92Å; V202-W204 VanDerWaalsContact C-N 3.32Å; V202-W204 PolarHBondContact O-N 3.31Å; V202-E205 PolarHBondContact O-N 3.47Å; V202-E205 VanDerWaalsContact O-N 3.11Å; V202-M206 HydrophobicContact CG1-CG 4.24Å; V202-M206 HydrophobicContact CG1-SD 3.57Å; V202-M206 VanDerWaalsContact CG1-SD 3.57Å; V202-M206 WeakPolarHBondContact O-CB 3Å; V202-M206 WeakPolarHBondContact O-CG 3.39Å; V202-M206 PolarHBondContact O-N 3.42Å; V202-L239 HydrophobicContact CB-CD1 4.43Å; V202-L239 HydrophobicContact CG1-CD1 3.73Å; V202-I252 HydrophobicContact CB-CD1 4.35Å; V202-I252 HydrophobicContact CG2-CD1 3.59Å; V202-I252 HydrophobicContact CG2-CG1 3.94Å; V202-V264 HydrophobicContact CG2-CG1 4.48Å; V202-Y266 HydrophobicContact CB-CD2 4.34Å; V202-Y266 HydrophobicContact CB-CG 4.42Å; V202-Y266 HydrophobicContact CG1-CD2 3.57Å; V202-Y266 HydrophobicContact CG1-CE2 3.78Å; V202-Y266 HydrophobicContact CG1-CG 4.12Å; V202-Y266 HydrophobicContact CG2-CD1 4.01Å; V202-Y266 HydrophobicContact CG2-CD2 3.93Å; V202-Y266 HydrophobicContact CG2-CG 3.57Å
203M97.5Very high94.5Very high0 Ų016.2 Ų16.20%08%0.081CC..Hα-helixtrans-60-40.4177.3-69.3-174.3-73.200111.6S199 T207 Y213 Y214 L239S199-M203 WeakPolarHBondContact O-CB 3.4Å; S199-M203 WeakPolarHBondContact O-CE 3.3Å; S199-M203 VanDerWaalsContact O-CG 3.23Å; S199-M203 WeakPolarHBondContact O-CG 3.3Å; S199-M203 PolarHBondContact O-N 3.11Å; M203-T207 VanDerWaalsContact O-CB 3.31Å; M203-T207 WeakPolarHBondContact O-CB 3.42Å; M203-T207 PolarHBondContact O-N 2.92Å; M203-T207 VanDerWaalsContact O-N 3.12Å; M203-T207 PolarHBondContact O-OG1 2.89Å; M203-Y213 VanDerWaalsContact SD-O 3.38Å; M203-Y214 VanDerWaalsContact SD-CA 3.59Å; M203-L239 HydrophobicContact CG-CD1 4.21Å; M203-L239 HydrophobicContact CG-CD2 4.25Å
204W97.4Very high94.5Very high20 Ų2020.3 Ų20.38%0.07610%0.097CC..Hα-helixtrans-64.5-45.8172.9161.359.2000111.9H68 F69 F72 R138 P139 S200 Y201 V202 M206 T207H68-W204 HydrophobicContact CB-CB 3.92Å; F69-W204 HydrophobicContact CB-CD2 4.37Å; F69-W204 HydrophobicContact CB-CG 4Å; F69-W204 AromaticContact CD2-CD2 3.77Å; F69-W204 HydrophobicContact CD2-CD2 3.77Å; F69-W204 AromaticContact CD2-CE2 3.56Å; F69-W204 HydrophobicContact CD2-CE3 4.13Å; F69-W204 HydrophobicContact CD2-CG 4.29Å; F69-W204 HydrophobicContact CD2-CH2 4.08Å; F69-W204 AromaticContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ3 4.27Å; F69-W204 AromaticContact CD2-NE1 4Å; F69-W204 HydrophobicContact CE2-CH2 4Å; F69-W204 AromaticContact CE2-CZ2 3.81Å; F69-W204 HydrophobicContact CE2-CZ2 3.81Å; F72-W204 HydrophobicContact CD1-CE3 4.37Å; F72-W204 HydrophobicContact CD1-CZ3 4.36Å; F72-W204 HydrophobicContact CE1-CZ3 4.2Å; R138-W204 HydrophobicContact CG-CH2 4.26Å; R138-W204 HydrophobicContact CG-CZ2 3.9Å; P139-W204 PolarHBondContact O-NE1 3.32Å; S200-W204 WeakPolarHBondContact O-CB 3.44Å; S200-W204 PolarHBondContact O-N 3.03Å; Y201-W204 AromaticContact CD2-CE3 3.99Å; Y201-W204 HydrophobicContact CD2-CE3 3.99Å; Y201-W204 AromaticContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CE2-CE3 4.13Å; Y201-W204 AromaticContact CE2-CZ3 3.69Å; Y201-W204 HydrophobicContact CE2-CZ3 3.69Å; Y201-W204 PolarHBondContact O-N 2.75Å; V202-W204 VanDerWaalsContact C-N 3.32Å; V202-W204 PolarHBondContact O-N 3.31Å; W204-M206 VanDerWaalsContact C-N 3.33Å; W204-M206 PolarHBondContact O-N 3.44Å; W204-T207 PolarHBondContact O-N 3.29Å
205E96.6Very high94.6Very high32 Ų3221 Ų2115%0.1510%0.101CC..Hα-helixtrans-65.6-36-177.6-173.2157-15400112.4P137 R138 Y201 V202 Y266P137-E205 WeakPolarHBondContact CB-O 3.49Å; R138-E205 WeakPolarHBondContact CA-O 3.14Å; R138-E205 HydrophobicContact CB-CG 4.26Å; R138-E205 WeakPolarHBondContact CB-O 3.4Å; R138-E205 HydrophobicContact CG-CG 4.25Å; R138-E205 IonicContact CZ-OE1 2.77Å; R138-E205 PolarHBondContact N-O 2.93Å; R138-E205 IonicContact NH1-OE1 3.68Å; R138-E205 PolarHBondContact NH1-OE1 3.34Å; Y201-E205 WeakPolarHBondContact CE1-OE2 3.47Å; Y201-E205 PolarHBondContact O-N 3.09Å; Y201-E205 PolarHBondContact OH-OE2 3.43Å; V202-E205 PolarHBondContact O-N 3.47Å; V202-E205 VanDerWaalsContact O-N 3.11Å; E205-Y266 VanDerWaalsContact CD-OH 3.26Å; E205-Y266 HydrophobicContact CG-CE1 4.38Å; E205-Y266 VanDerWaalsContact CG-OH 3.25Å; E205-Y266 WeakPolarHBondContact CG-OH 3.4Å; E205-Y266 WeakPolarHBondContact OE2-CE1 3.14Å; E205-Y266 PolarHBondContact OE2-OH 2.99Å
206M94.6Very high94.6Very high31 Ų3122.9 Ų22.915%0.15312%0.116CC..Hα-helixtrans-82.4-15.9178.4-66.6177.567.700113.9V202 W204 T208 Y213 L239 I248 Y266 C268V202-M206 HydrophobicContact CG1-CG 4.24Å; V202-M206 HydrophobicContact CG1-SD 3.57Å; V202-M206 VanDerWaalsContact CG1-SD 3.57Å; V202-M206 WeakPolarHBondContact O-CB 3Å; V202-M206 WeakPolarHBondContact O-CG 3.39Å; V202-M206 PolarHBondContact O-N 3.42Å; W204-M206 VanDerWaalsContact C-N 3.33Å; W204-M206 PolarHBondContact O-N 3.44Å; M206-T208 PolarHBondContact O-N 2.86Å; M206-Y213 HydrophobicContact CB-CD2 4.28Å; M206-Y213 HydrophobicContact CB-CE2 3.74Å; M206-Y213 HydrophobicContact CE-CE1 3.99Å; M206-Y213 WeakPolarHBondContact O-CE2 3.11Å; M206-L239 HydrophobicContact SD-CD1 4.16Å; M206-I248 HydrophobicContact CE-CD1 4.18Å; M206-I248 HydrophobicContact CE-CG2 4.45Å; M206-Y266 HydrophobicContact CG-CE2 4.43Å; M206-Y266 HydrophobicContact SD-CE2 4.49Å; M206-C268 HydrophobicContact CE-CB 4.38Å; M206-C268 HydrophobicContact SD-CB 4.36Å; M206-C268 PolarHBondContact SD-SG 3.23Å
207T93.3Very high94.6Very high1 Ų124.1 Ų24.11%0.00612%0.122CC..  trans-64133-175.2-75.80000112.1Q61 A65 F132 P137 R138 P139 M203 W204Q61-T207 VanDerWaalsContact NE2-CG2 3.25Å; A65-T207 HydrophobicContact CB-CG2 3.86Å; F132-T207 HydrophobicContact CE1-CG2 3.99Å; P137-T207 CarbonylContact C-O 3.53Å; P137-T207 VanDerWaalsContact CA-O 3.29Å; P137-T207 WeakPolarHBondContact CA-O 3.11Å; R138-T207 PolarHBondContact N-O 3.21Å; R138-T207 VanDerWaalsContact N-O 3.11Å; P139-T207 WeakPolarHBondContact CD-O 3.45Å; P139-T207 HydrophobicContact CG-CG2 4.26Å; M203-T207 VanDerWaalsContact O-CB 3.31Å; M203-T207 WeakPolarHBondContact O-CB 3.42Å; M203-T207 PolarHBondContact O-N 2.92Å; M203-T207 VanDerWaalsContact O-N 3.12Å; M203-T207 PolarHBondContact O-OG1 2.89Å; W204-T207 PolarHBondContact O-N 3.29Å
208T92.1Very high94.6Very high31 Ų3124.1 Ų24.119%0.1912%0.122CC..  trans-115.8-173169.571.50000110.4F132 P137 M206 V210 S211F132-T208 VanDerWaalsContact CE1-O 3.3Å; F132-T208 WeakPolarHBondContact CE1-O 3.44Å; P137-T208 HydrophobicContact CB-CG2 4.13Å; M206-T208 PolarHBondContact O-N 2.86Å; T208-V210 PolarHBondContact O-N 2.91Å; T208-V210 PolarHBondContact OG1-N 2.82Å; T208-S211 PolarHBondContact N-OG 3.12Å; T208-S211 WeakPolarHBondContact OG1-CB 2.98Å; T208-S211 PolarHBondContact OG1-N 3.49Å; T208-S211 VanDerWaalsContact OG1-N 3.09Å; T208-S211 PolarHBondContact OG1-OG 2.87Å
209Q88.4Confident94.5Very high53 Ų5325.9 Ų25.925%0.24813%0.133CC..SBendtrans-63.2-25.1174.8-67.4174.3-19.100113.4C99 F132 N134C99-Q209 PolarHBondContact SG-NE2 3.39Å; C99-Q209 VanDerWaalsContact SG-NE2 3.45Å; F132-Q209 HydrophobicContact CB-CG 3.28Å; F132-Q209 HydrophobicContact CD1-CG 3.99Å; F132-Q209 HydrophobicContact CD2-CG 4.37Å; F132-Q209 HydrophobicContact CG-CG 3.66Å; N134-Q209 PolarHBondContact OD1-NE2 3.37Å
210V86.8Confident94.3Very high85 Ų8527.5 Ų27.552%0.51514%0.144SC..SBendtrans-117.7-26.1-171-63.90000113.3R57 T208 S243R57-V210 PolarHBondContact NH2-O 3.46Å; R57-V210 VanDerWaalsContact NH2-O 3.09Å; T208-V210 PolarHBondContact O-N 2.91Å; T208-V210 PolarHBondContact OG1-N 2.82Å; V210-S243 PolarHBondContact O-OG 2.82Å
211S88.9Confident94Very high2 Ų227.5 Ų27.51%0.01415%0.145CC..  trans-83.9139.4-175.164.40000112.1Q61 T208 Y213 E241Q61-S211 VanDerWaalsContact CD-O 3.23Å; Q61-S211 PolarHBondContact NE2-O 3.3Å; Q61-S211 PolarHBondContact OE1-O 3.31Å; T208-S211 PolarHBondContact N-OG 3.12Å; T208-S211 WeakPolarHBondContact OG1-CB 2.98Å; T208-S211 PolarHBondContact OG1-N 3.49Å; T208-S211 VanDerWaalsContact OG1-N 3.09Å; T208-S211 PolarHBondContact OG1-OG 2.87Å; S211-Y213 WeakPolarHBondContact OG-CE2 3.3Å; S211-E241 WeakPolarHBondContact CA-OE1 3.47Å; S211-E241 WeakPolarHBondContact CB-OE1 3.47Å
212H88.9Confident93.6Very high13 Ų1332.4 Ų32.46%0.0616%0.163CC..  trans-137.8119.9-178.9174.1-159000110.1R64 Y214 E241 L242R64-H212 VanDerWaalsContact CD-CD2 3.4Å; R64-H212 WeakPolarHBondContact CD-CD2 3.5Å; R64-H212 WeakPolarHBondContact CD-CE1 3.29Å; R64-H212 WeakPolarHBondContact CD-NE2 3.21Å; R64-H212 PolarHBondContact NE-CE1 2.99Å; R64-H212 PolarHBondContact NE-NE2 2.97Å; R64-H212 VanDerWaalsContact NE-NE2 3.12Å; R64-H212 PolarHBondContact NH1-CE1 3.02Å; H212-Y214 AromaticContact CE1-CD2 3.92Å; H212-Y214 AromaticContact CE1-CE2 3.08Å; H212-Y214 WeakPolarHBondContact CE1-CE2 3.42Å; H212-Y214 AromaticContact CE1-CZ 3.58Å; H212-Y214 AromaticContact NE2-CD2 3.53Å; H212-Y214 AromaticContact NE2-CE2 2.88Å; H212-Y214 WeakPolarHBondContact NE2-CE2 3.35Å; H212-Y214 AromaticContact NE2-CZ 3.12Å; H212-Y214 PolarHBondContact NE2-OH 3.4Å; H212-E241 CarbonylContact O-C 3.47Å; H212-E241 WeakPolarHBondContact O-CA 3.34Å; H212-L242 VanDerWaalsContact CE1-CD1 3.49Å; H212-L242 WeakPolarHBondContact CE1-CD1 3.33Å; H212-L242 PolarHBondContact O-N 3.2Å
213Y94.1Very high93.2Very high17 Ų1734.5 Ų34.57%0.06717%0.173CC..EExtended strand (participates in β ladder)trans-111.3145.6-173.4-55.3-83.9000113M203 M206 S211 H240 E241 I248M203-Y213 VanDerWaalsContact SD-O 3.38Å; M206-Y213 HydrophobicContact CB-CD2 4.28Å; M206-Y213 HydrophobicContact CB-CE2 3.74Å; M206-Y213 HydrophobicContact CE-CE1 3.99Å; M206-Y213 WeakPolarHBondContact O-CE2 3.11Å; S211-Y213 WeakPolarHBondContact OG-CE2 3.3Å; Y213-H240 CarbonylContact C-O 3.59Å; Y213-H240 VanDerWaalsContact CA-O 3.3Å; Y213-H240 WeakPolarHBondContact CA-O 3.3Å; Y213-E241 HydrophobicContact CD1-CB 3.81Å; Y213-E241 HydrophobicContact CD1-CG 4.05Å; Y213-E241 HydrophobicContact CE1-CB 3.63Å; Y213-E241 HydrophobicContact CE1-CG 3.66Å; Y213-I248 HydrophobicContact CD1-CD1 4.4Å; Y213-I248 HydrophobicContact CE1-CD1 3.75Å
214Y94.3Very high92.5Very high91 Ų9140.8 Ų40.836%0.35720%0.196SC..EExtended strand (participates in β ladder)trans-132.5152.1164.1-75.8-73.7000111.2R64 M203 H212 A216 L239 H240 L242R64-Y214 PolarHBondContact NE-OH 2.91Å; R64-Y214 VanDerWaalsContact NE-OH 3.11Å; M203-Y214 VanDerWaalsContact SD-CA 3.59Å; H212-Y214 AromaticContact CE1-CD2 3.92Å; H212-Y214 AromaticContact CE1-CE2 3.08Å; H212-Y214 WeakPolarHBondContact CE1-CE2 3.42Å; H212-Y214 AromaticContact CE1-CZ 3.58Å; H212-Y214 AromaticContact NE2-CD2 3.53Å; H212-Y214 AromaticContact NE2-CE2 2.88Å; H212-Y214 WeakPolarHBondContact NE2-CE2 3.35Å; H212-Y214 AromaticContact NE2-CZ 3.12Å; H212-Y214 PolarHBondContact NE2-OH 3.4Å; Y214-A216 PolarHBondContact O-N 3.1Å; Y214-L239 CarbonylContact O-C 3.58Å; Y214-L239 VanDerWaalsContact O-CA 3.31Å; Y214-L239 WeakPolarHBondContact O-CA 3.4Å; Y214-H240 PolarHBondContact N-O 2.98Å; Y214-H240 PolarHBondContact O-N 2.04Å; Y214-L242 HydrophobicContact CD2-CD1 3.38Å; Y214-L242 HydrophobicContact CD2-CG 4.17Å; Y214-L242 HydrophobicContact CE2-CD1 3.38Å
215L96.1Very high91.5Very high15 Ų1549.3 Ų49.38%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-73109.1167.5176.260.7000108.9W192 F196 V237 L239W192-L215 HydrophobicContact CD2-CD2 4.47Å; W192-L215 HydrophobicContact CE3-CD2 4.13Å; W192-L215 HydrophobicContact CH2-CB 4.48Å; W192-L215 HydrophobicContact CH2-CD1 4.46Å; W192-L215 HydrophobicContact CH2-CD2 3.58Å; W192-L215 HydrophobicContact CH2-CG 3.51Å; W192-L215 HydrophobicContact CZ2-CD2 3.92Å; W192-L215 HydrophobicContact CZ2-CG 4.14Å; W192-L215 HydrophobicContact CZ3-CD1 4.42Å; W192-L215 HydrophobicContact CZ3-CD2 3.65Å; W192-L215 HydrophobicContact CZ3-CG 3.83Å; F196-L215 HydrophobicContact CB-CD2 4.01Å; F196-L215 HydrophobicContact CD2-CB 4.31Å; F196-L215 HydrophobicContact CD2-CD2 4.15Å; L215-V237 HydrophobicContact CD1-CB 3.55Å; L215-V237 HydrophobicContact CD1-CG1 3.85Å; L215-V237 HydrophobicContact CD1-CG2 4.27Å; L215-L239 HydrophobicContact CB-CD2 4.4Å; L215-L239 HydrophobicContact CD1-CD2 4.15Å
216A95.9Very high90.1Very high39 Ų3949.5 Ų49.532%0.32224%0.237SC..EExtended strand (participates in β ladder)trans-83.8-47.1178.900000111.2Y214 L238 H240Y214-A216 PolarHBondContact O-N 3.1Å; A216-L238 WeakPolarHBondContact CB-O 3.44Å; A216-L238 PolarHBondContact N-O 2.95Å; A216-H240 HydrophobicContact CB-CB 4.13Å
217Q96.4Very high88.8Confident44 Ų4456.8 Ų56.821%0.20628%0.277CS..EExtended strand (participates in β ladder)trans-156.4153.2-173.3-164.4173.364.200111.9S176 I177 P178 T219 V237 L238S176-Q217 PolarHBondContact OG-NE2 3.37Å; I177-Q217 CarbonylContact O-C 3.52Å; I177-Q217 WeakPolarHBondContact O-CA 3.45Å; P178-Q217 PolarHBondContact O-NE2 3.43Å; Q217-T219 HydrophobicContact CG-CG2 4.37Å; Q217-V237 CarbonylContact O-C 3.52Å; Q217-V237 WeakPolarHBondContact O-CA 3.33Å; Q217-L238 HydrophobicContact CB-CB 4.24Å; Q217-L238 HydrophobicContact CB-CD1 4.18Å; Q217-L238 HydrophobicContact CB-CG 4.39Å; Q217-L238 PolarHBondContact N-O 3.37Å; Q217-L238 PolarHBondContact O-N 3.26Å
218L96Very high87.7Confident0 Ų060.4 Ų60.40%030%0.296CS..EExtended strand (participates in β ladder)trans-108.8119.9167.1172.465.9000107.6V175 I177 I191 W192 A195 S220 Y235 T236 V237V175-L218 HydrophobicContact CG2-CD2 4.47Å; V175-L218 HydrophobicContact CG2-CG 4.14Å; I177-L218 HydrophobicContact CB-CB 4.28Å; I177-L218 HydrophobicContact CD1-CD2 4.04Å; I177-L218 PolarHBondContact N-O 2.59Å; I177-L218 PolarHBondContact O-N 2.95Å; I191-L218 HydrophobicContact CG2-CD2 3.82Å; W192-L218 HydrophobicContact CE3-CB 4.03Å; W192-L218 HydrophobicContact CZ3-CB 4.06Å; A195-L218 HydrophobicContact CB-CD1 4.36Å; A195-L218 HydrophobicContact CB-CD2 4.11Å; L218-S220 WeakPolarHBondContact CD1-O 3.3Å; L218-Y235 HydrophobicContact CD1-CD1 3.6Å; L218-Y235 HydrophobicContact CD1-CG 4.15Å; L218-Y235 HydrophobicContact CD2-CD1 4.13Å; L218-Y235 HydrophobicContact CD2-CE1 4.32Å; L218-T236 WeakPolarHBondContact CD1-O 3.35Å; L218-V237 HydrophobicContact CD1-CG1 3.87Å
219T94.7Very high87.3Confident38 Ų3864.3 Ų64.323%0.23332%0.316CS..EExtended strand (participates in β ladder)trans-105.3-21.7-173.154.30000113.6V175 Q217 T236 L238V175-T219 PolarHBondContact N-O 3.5Å; V175-T219 CarbonylContact O-C 3.59Å; V175-T219 WeakPolarHBondContact O-CA 3.23Å; Q217-T219 HydrophobicContact CG-CG2 4.37Å; T219-T236 PolarHBondContact N-O 3.06Å; T219-T236 WeakPolarHBondContact OG1-CG2 3.23Å; T219-T236 PolarHBondContact OG1-O 2.87Å; T219-L238 HydrophobicContact CG2-CD1 3.76Å; T219-L238 HydrophobicContact CG2-CD2 4.34Å; T219-L238 HydrophobicContact CG2-CG 3.78Å
220S93.5Very high87.4Confident33 Ų3363.1 Ų63.123%0.23131%0.313CS..EExtended strand (participates in β ladder)trans-153.2140.3178.61780000110.6E173 L218 Y235 T236E173-S220 WeakPolarHBondContact O-CA 3.41Å; E173-S220 VanDerWaalsContact O-CB 3.3Å; E173-S220 WeakPolarHBondContact O-CB 3.37Å; E173-S220 PolarHBondContact O-OG 3.49Å; L218-S220 WeakPolarHBondContact CD1-O 3.3Å; S220-Y235 CarbonylContact O-C 3.59Å; S220-Y235 WeakPolarHBondContact O-CA 3.48Å; S220-T236 PolarHBondContact N-O 2.92Å; S220-T236 PolarHBondContact O-N 3Å
221V92.8Very high87.6Confident1 Ų159.1 Ų59.11%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-135.7130.7172.255.50000110P171 L172 V175 I191 F233 D234 Y235P171-V221 HydrophobicContact CB-CG1 3.86Å; P171-V221 HydrophobicContact CB-CG2 4.04Å; L172-V221 VanDerWaalsContact O-CG1 3.27Å; L172-V221 WeakPolarHBondContact O-CG1 3.3Å; V175-V221 HydrophobicContact CG1-CG1 4.4Å; V175-V221 HydrophobicContact CG2-CG1 4.15Å; I191-V221 HydrophobicContact CG2-CB 4.29Å; I191-V221 HydrophobicContact CG2-CG1 4.27Å; I191-V221 HydrophobicContact CG2-CG2 3.94Å; V221-F233 HydrophobicContact CG2-CD1 3.4Å; V221-F233 HydrophobicContact CG2-CE1 3.61Å; V221-F233 HydrophobicContact CG2-CG 4.32Å; V221-D234 CarbonylContact C-O 3.26Å; V221-D234 WeakPolarHBondContact CA-O 3.44Å; V221-Y235 HydrophobicContact CB-CD1 3.97Å; V221-Y235 HydrophobicContact CB-CE1 4.11Å; V221-Y235 HydrophobicContact CG2-CD1 3.77Å; V221-Y235 HydrophobicContact CG2-CE1 3.49Å; V221-Y235 VanDerWaalsContact CG2-CE1 3.49Å
222R90.4Very high87.8Confident134 Ų13460 Ų6051%0.50629%0.292SS..EExtended strand (participates in β ladder)trans-130121.4173.5177.7177.1-82.2-166.6-3109.3E173 F233 D234E173-R222 IonicContact OE1-CZ 3.58Å; E173-R222 IonicContact OE1-NE 3.72Å; E173-R222 IonicContact OE1-NH2 2.71Å; E173-R222 PolarHBondContact OE1-NH2 3.34Å; R222-F233 CarbonylContact O-C 3.59Å; R222-F233 WeakPolarHBondContact O-CA 3.45Å; R222-D234 HydrophobicContact CB-CB 4.44Å; R222-D234 PolarHBondContact N-O 3.49Å; R222-D234 PolarHBondContact O-N 3.46Å
223Q88Confident88Confident45 Ų4559.3 Ų59.321%0.2129%0.29CS..EExtended strand (participates in β ladder)trans-87.2130.7172.8-172.9168.510.700109.3P171 D232 F233P171-Q223 HydrophobicContact CG-CB 3.28Å; P171-Q223 HydrophobicContact CG-CG 4.46Å; Q223-D232 WeakPolarHBondContact CA-O 3.37Å; Q223-F233 HydrophobicContact CB-CD1 3.81Å; Q223-F233 HydrophobicContact CB-CE1 3.5Å; Q223-F233 VanDerWaalsContact CB-CE1 3.5Å; Q223-F233 HydrophobicContact CB-CZ 4.22Å; Q223-F233 HydrophobicContact CG-CD1 4.32Å; Q223-F233 HydrophobicContact CG-CE1 3.96Å; Q223-F233 HydrophobicContact CG-CZ 4.22Å
224W83.5Confident88Confident131 Ų13160.9 Ų60.950%0.49630%0.299SS..  trans-78.6139.5173.7-73.661.4000109.6T226 D232 D234W224-T226 HydrophobicContact CB-CG2 4.28Å; W224-T226 PolarHBondContact O-N 2.85Å; W224-D232 HydrophobicContact CB-CB 4.09Å; W224-D232 PolarHBondContact N-O 3.09Å; W224-D234 VanDerWaalsContact CE2-OD2 3.32Å; W224-D234 WeakPolarHBondContact CZ2-OD2 3.49Å; W224-D234 PolarHBondContact NE1-OD2 2.95Å
225K75.3Confident88.1Confident200 Ų20056.6 Ų56.687%0.8728%0.282SS*.  trans-71.9100168.3-72.5-176.3-178176.80107.6
226T68.6Low88.2Confident35 Ų3557.2 Ų57.222%0.21529%0.286CS..  trans-98.1138.8174.166.90000110.5W224 D228 D232W224-T226 HydrophobicContact CB-CG2 4.28Å; W224-T226 PolarHBondContact O-N 2.85Å; T226-D228 WeakPolarHBondContact CB-OD1 3.46Å; T226-D228 PolarHBondContact O-N 3.03Å; T226-D228 PolarHBondContact OG1-O 3.31Å; T226-D228 PolarHBondContact OG1-OD1 3.24Å; T226-D232 HydrophobicContact CG2-CB 3.43Å; T226-D232 VanDerWaalsContact CG2-CB 3.43Å
227N65.9Low88.2Confident184 Ų18455.3 Ų55.398%0.98427%0.271SS*.SBendtrans-78.3-2.5167.8-67.5-22.5000111.6
228D70.3Confident88.3Confident77 Ų7754.9 Ų54.941%0.41227%0.27SS..SBendtrans-100.1165-179.667.122.9000112.2K166 T226 T230K166-D228 PolarHBondContact NZ-O 2.95Å; T226-D228 WeakPolarHBondContact CB-OD1 3.46Å; T226-D228 PolarHBondContact O-N 3.03Å; T226-D228 PolarHBondContact OG1-O 3.31Å; T226-D228 PolarHBondContact OG1-OD1 3.24Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 2.72Å; D228-T230 VanDerWaalsContact O-N 3.08Å; D228-T230 WeakPolarHBondContact OD1-CB 3.37Å; D228-T230 PolarHBondContact OD1-N 2.95Å; D228-T230 PolarHBondContact OD1-OG1 2.73Å; D228-T230 PolarHBondContact OD2-OG1 3.25Å
229D83.7Confident88.3Confident114 Ų11454.9 Ų54.961%0.6127%0.27SS*.SBendtrans-75.215.7177.2-73.1-37.1000112.6Y162 Y257Y162-D229 WeakPolarHBondContact CE2-O 3.48Å; Y162-D229 VanDerWaalsContact CZ-O 3.27Å; Y162-D229 PolarHBondContact OH-O 3.16Å; D229-Y257 HydrophobicContact CB-CE2 4.08Å; D229-Y257 WeakPolarHBondContact O-CD2 3.31Å; D229-Y257 WeakPolarHBondContact O-CE2 3.33Å
230T91.1Very high88.4Confident28 Ų2855.1 Ų55.117%0.17227%0.268CS..SBendtrans-92.8163.4-179.175.90000112.4K166 D228 V255K166-T230 PolarHBondContact NZ-O 2.73Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 2.72Å; D228-T230 VanDerWaalsContact O-N 3.08Å; D228-T230 WeakPolarHBondContact OD1-CB 3.37Å; D228-T230 PolarHBondContact OD1-N 2.95Å; D228-T230 PolarHBondContact OD1-OG1 2.73Å; D228-T230 PolarHBondContact OD2-OG1 3.25Å; T230-V255 HydrophobicContact CG2-CG1 4.17Å
231I91.9Very high88.4Confident0 Ų054.3 Ų54.30%026%0.261CS..EExtended strand (participates in β ladder)trans-98.3120.5165.4-61.4-56.5000106.8Y162 M165 K166 L194 F233 V255 W256Y162-I231 HydrophobicContact CD2-CD1 4.06Å; Y162-I231 HydrophobicContact CD2-CG1 3.79Å; Y162-I231 HydrophobicContact CE2-CD1 4.09Å; Y162-I231 HydrophobicContact CE2-CG1 4.08Å; M165-I231 HydrophobicContact CB-CD1 3.61Å; M165-I231 HydrophobicContact CB-CG1 4.11Å; K166-I231 HydrophobicContact CD-CD1 3.52Å; K166-I231 HydrophobicContact CG-CD1 3.94Å; L194-I231 HydrophobicContact CD1-CG2 4.24Å; I231-F233 HydrophobicContact CG2-CD2 3.37Å; I231-F233 HydrophobicContact CG2-CE2 3.18Å; I231-F233 HydrophobicContact CG2-CZ 4.31Å; I231-V255 CarbonylContact O-C 3.56Å; I231-V255 WeakPolarHBondContact O-CA 3.28Å; I231-W256 HydrophobicContact CB-CE3 3.99Å; I231-W256 HydrophobicContact CG1-CE3 3.75Å; I231-W256 HydrophobicContact CG1-CZ3 4.08Å; I231-W256 PolarHBondContact N-O 3.42Å; I231-W256 PolarHBondContact O-N 2.82Å
232D93.1Very high88.3Confident20 Ų2057 Ų5711%0.10728%0.275CS..EExtended strand (participates in β ladder)trans-127.4116.2-175.4-171.6-19.5000109.5Q223 W224 T226 H253 L254 V255Q223-D232 WeakPolarHBondContact CA-O 3.37Å; W224-D232 HydrophobicContact CB-CB 4.09Å; W224-D232 PolarHBondContact N-O 3.09Å; T226-D232 HydrophobicContact CG2-CB 3.43Å; T226-D232 VanDerWaalsContact CG2-CB 3.43Å; D232-H253 IonicContact OD1-CE1 3.93Å; D232-H253 PolarHBondContact OD1-CE1 2.94Å; D232-H253 IonicContact OD1-ND1 3.41Å; D232-H253 IonicContact OD1-NE2 3.53Å; D232-H253 IonicContact OD2-CE1 2.75Å; D232-L254 WeakPolarHBondContact CA-O 3.38Å; D232-V255 HydrophobicContact CB-CG2 4.46Å
233F92.9Very high88.2Confident0 Ų052.9 Ų52.90%027%0.266CS..EExtended strand (participates in β ladder)trans-131.1137.5-175.8-79-69.5000111.9M165 P171 L194 V221 R222 Q223 I231 Y235 H253 L254M165-F233 HydrophobicContact CE-CE2 3.3Å; M165-F233 HydrophobicContact CE-CZ 3.36Å; P171-F233 HydrophobicContact CB-CE1 4.27Å; P171-F233 HydrophobicContact CG-CD1 4.44Å; P171-F233 HydrophobicContact CG-CE1 3.59Å; P171-F233 HydrophobicContact CG-CZ 4.43Å; L194-F233 HydrophobicContact CD1-CE2 4.39Å; V221-F233 HydrophobicContact CG2-CD1 3.4Å; V221-F233 HydrophobicContact CG2-CE1 3.61Å; V221-F233 HydrophobicContact CG2-CG 4.32Å; R222-F233 CarbonylContact O-C 3.59Å; R222-F233 WeakPolarHBondContact O-CA 3.45Å; Q223-F233 HydrophobicContact CB-CD1 3.81Å; Q223-F233 HydrophobicContact CB-CE1 3.5Å; Q223-F233 VanDerWaalsContact CB-CE1 3.5Å; Q223-F233 HydrophobicContact CB-CZ 4.22Å; Q223-F233 HydrophobicContact CG-CD1 4.32Å; Q223-F233 HydrophobicContact CG-CE1 3.96Å; Q223-F233 HydrophobicContact CG-CZ 4.22Å; I231-F233 HydrophobicContact CG2-CD2 3.37Å; I231-F233 HydrophobicContact CG2-CE2 3.18Å; I231-F233 HydrophobicContact CG2-CZ 4.31Å; F233-Y235 HydrophobicContact CB-CD2 4.04Å; F233-Y235 HydrophobicContact CB-CE1 4.08Å; F233-Y235 HydrophobicContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CZ 3.47Å; F233-Y235 HydrophobicContact CD1-CE1 4.4Å; F233-Y235 HydrophobicContact CD2-CE2 4.41Å; F233-Y235 AromaticContact CD2-CZ 3.86Å; F233-Y235 WeakPolarHBondContact CD2-OH 3.33Å; F233-Y235 HydrophobicContact CG-CE1 4.17Å; F233-Y235 HydrophobicContact CG-CE2 4.14Å; F233-Y235 AromaticContact CG-CZ 3.66Å; F233-Y235 WeakPolarHBondContact CG-OH 3.17Å; F233-H253 CarbonylContact O-C 3.49Å; F233-H253 WeakPolarHBondContact O-CA 3.27Å; F233-L254 PolarHBondContact N-O 3.1Å; F233-L254 PolarHBondContact O-N 2.81Å
234D94.5Very high88.3Confident49 Ų4954.2 Ų54.226%0.26228%0.278SS..EExtended strand (participates in β ladder)trans-96.1127.5154.5-73.7-20.9000109.5V221 R222 W224 I252 H253V221-D234 CarbonylContact C-O 3.26Å; V221-D234 WeakPolarHBondContact CA-O 3.44Å; R222-D234 HydrophobicContact CB-CB 4.44Å; R222-D234 PolarHBondContact N-O 3.49Å; R222-D234 PolarHBondContact O-N 3.46Å; W224-D234 VanDerWaalsContact CE2-OD2 3.32Å; W224-D234 WeakPolarHBondContact CZ2-OD2 3.49Å; W224-D234 PolarHBondContact NE1-OD2 2.95Å; D234-I252 WeakPolarHBondContact CA-O 3.44Å; D234-H253 WeakPolarHBondContact OD1-CB 3.33Å; D234-H253 IonicContact OD1-CE1 2.81Å; D234-H253 IonicContact OD1-CG 3.75Å; D234-H253 IonicContact OD1-ND1 3.59Å; D234-H253 PolarHBondContact OD1-ND1 3.45Å
235Y96.1Very high88.8Confident2 Ų253.8 Ų53.81%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-113.5145.3174-61.7-69.3000110.3I191 L194 A195 L218 S220 V221 F233 H251 I252 L254I191-Y235 HydrophobicContact CG2-CE1 3.78Å; L194-Y235 WeakPolarHBondContact CB-OH 3.4Å; A195-Y235 HydrophobicContact CB-CD1 4.08Å; A195-Y235 HydrophobicContact CB-CD2 4.47Å; A195-Y235 HydrophobicContact CB-CE1 4.04Å; A195-Y235 HydrophobicContact CB-CE2 4.44Å; A195-Y235 HydrophobicContact CB-CG 4.27Å; L218-Y235 HydrophobicContact CD1-CD1 3.6Å; L218-Y235 HydrophobicContact CD1-CG 4.15Å; L218-Y235 HydrophobicContact CD2-CD1 4.13Å; L218-Y235 HydrophobicContact CD2-CE1 4.32Å; S220-Y235 CarbonylContact O-C 3.59Å; S220-Y235 WeakPolarHBondContact O-CA 3.48Å; V221-Y235 HydrophobicContact CB-CD1 3.97Å; V221-Y235 HydrophobicContact CB-CE1 4.11Å; V221-Y235 HydrophobicContact CG2-CD1 3.77Å; V221-Y235 HydrophobicContact CG2-CE1 3.49Å; V221-Y235 VanDerWaalsContact CG2-CE1 3.49Å; F233-Y235 HydrophobicContact CB-CD2 4.04Å; F233-Y235 HydrophobicContact CB-CE1 4.08Å; F233-Y235 HydrophobicContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CZ 3.47Å; F233-Y235 HydrophobicContact CD1-CE1 4.4Å; F233-Y235 HydrophobicContact CD2-CE2 4.41Å; F233-Y235 AromaticContact CD2-CZ 3.86Å; F233-Y235 WeakPolarHBondContact CD2-OH 3.33Å; F233-Y235 HydrophobicContact CG-CE1 4.17Å; F233-Y235 HydrophobicContact CG-CE2 4.14Å; F233-Y235 AromaticContact CG-CZ 3.66Å; F233-Y235 WeakPolarHBondContact CG-OH 3.17Å; Y235-H251 CarbonylContact O-C 3.19Å; Y235-H251 VanDerWaalsContact O-CA 3.31Å; Y235-H251 WeakPolarHBondContact O-CA 3.49Å; Y235-I252 PolarHBondContact N-O 2.86Å; Y235-I252 PolarHBondContact O-N 2.85Å; Y235-L254 HydrophobicContact CD2-CB 4.25Å; Y235-L254 HydrophobicContact CE2-CB 3.98Å; Y235-L254 HydrophobicContact CE2-CD1 4.48Å; Y235-L254 HydrophobicContact CE2-CD2 4.31Å; Y235-L254 HydrophobicContact CE2-CG 4.49Å
236T96.6Very high89.7Confident27 Ų2747.6 Ų47.617%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-110.4110.4157.9-540000107.8L218 T219 S220 C250 H251L218-T236 WeakPolarHBondContact CD1-O 3.35Å; T219-T236 PolarHBondContact N-O 3.06Å; T219-T236 WeakPolarHBondContact OG1-CG2 3.23Å; T219-T236 PolarHBondContact OG1-O 2.87Å; S220-T236 PolarHBondContact N-O 2.92Å; S220-T236 PolarHBondContact O-N 3Å; T236-C250 WeakPolarHBondContact CA-O 3.3Å; T236-H251 PolarHBondContact OG1-CE1 2.83Å; T236-H251 PolarHBondContact OG1-ND1 2.8Å
237V97.3Very high90.9Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-110.1153.9-179.5-58.70000110.8L215 Q217 L218 L239 P249 C250 I252L215-V237 HydrophobicContact CD1-CB 3.55Å; L215-V237 HydrophobicContact CD1-CG1 3.85Å; L215-V237 HydrophobicContact CD1-CG2 4.27Å; Q217-V237 CarbonylContact O-C 3.52Å; Q217-V237 WeakPolarHBondContact O-CA 3.33Å; L218-V237 HydrophobicContact CD1-CG1 3.87Å; V237-L239 HydrophobicContact CG2-CD2 4.04Å; V237-L239 HydrophobicContact CG2-CG 4.26Å; V237-P249 CarbonylContact O-C 3.51Å; V237-P249 WeakPolarHBondContact O-CA 3.34Å; V237-C250 HydrophobicContact CG2-CB 3.82Å; V237-C250 PolarHBondContact N-O 2.82Å; V237-C250 PolarHBondContact O-N 2.9Å; V237-I252 HydrophobicContact CG1-CD1 4.33Å; V237-I252 HydrophobicContact CG2-CD1 3.49Å; V237-I252 VanDerWaalsContact CG2-CD1 3.49Å; V237-I252 HydrophobicContact CG2-CG1 4.08Å
238L97.4Very high92.4Very high34 Ų3441.4 Ų41.418%0.17822%0.22CC..EExtended strand (participates in β ladder)trans-106.2116.4169.9-59-173.7000108.1A216 Q217 T219 I247 P249A216-L238 WeakPolarHBondContact CB-O 3.44Å; A216-L238 PolarHBondContact N-O 2.95Å; Q217-L238 HydrophobicContact CB-CB 4.24Å; Q217-L238 HydrophobicContact CB-CD1 4.18Å; Q217-L238 HydrophobicContact CB-CG 4.39Å; Q217-L238 PolarHBondContact N-O 3.37Å; Q217-L238 PolarHBondContact O-N 3.26Å; T219-L238 HydrophobicContact CG2-CD1 3.76Å; T219-L238 HydrophobicContact CG2-CD2 4.34Å; T219-L238 HydrophobicContact CG2-CG 3.78Å; L238-I247 HydrophobicContact CB-CG2 3.77Å; L238-I247 HydrophobicContact CD1-CG2 4.07Å; L238-I247 HydrophobicContact CD2-CG2 4.24Å; L238-I247 HydrophobicContact CG-CG2 4.24Å; L238-P249 HydrophobicContact CD2-CB 4.04Å; L238-P249 HydrophobicContact CD2-CG 4.06Å
239L97.4Very high93.6Very high0 Ų039.6 Ų39.60%021%0.213CC..EExtended strand (participates in β ladder)trans-96.2128.7173.3-58.9-173000109.4V202 M203 M206 Y214 L215 V237 I247 I248V202-L239 HydrophobicContact CB-CD1 4.43Å; V202-L239 HydrophobicContact CG1-CD1 3.73Å; M203-L239 HydrophobicContact CG-CD1 4.21Å; M203-L239 HydrophobicContact CG-CD2 4.25Å; M206-L239 HydrophobicContact SD-CD1 4.16Å; Y214-L239 CarbonylContact O-C 3.58Å; Y214-L239 VanDerWaalsContact O-CA 3.31Å; Y214-L239 WeakPolarHBondContact O-CA 3.4Å; L215-L239 HydrophobicContact CB-CD2 4.4Å; L215-L239 HydrophobicContact CD1-CD2 4.15Å; V237-L239 HydrophobicContact CG2-CD2 4.04Å; V237-L239 HydrophobicContact CG2-CG 4.26Å; L239-I247 CarbonylContact O-C 3.58Å; L239-I247 WeakPolarHBondContact O-CA 3.38Å; L239-I248 PolarHBondContact N-O 2.8Å; L239-I248 PolarHBondContact O-N 3.2Å
240H96Very high94.3Very high43 Ų4334.1 Ų34.120%0.19918%0.184CC..EExtended strand (participates in β ladder)trans-93.1113.4173.9-175.9-172.6000109.8Y213 Y214 A216 L242 Q245 E246 I247Y213-H240 CarbonylContact C-O 3.59Å; Y213-H240 VanDerWaalsContact CA-O 3.3Å; Y213-H240 WeakPolarHBondContact CA-O 3.3Å; Y214-H240 PolarHBondContact N-O 2.98Å; Y214-H240 PolarHBondContact O-N 2.04Å; A216-H240 HydrophobicContact CB-CB 4.13Å; H240-L242 VanDerWaalsContact CE1-CD2 3.4Å; H240-L242 WeakPolarHBondContact CE1-CD2 3.46Å; H240-L242 PolarHBondContact O-N 2.85Å; H240-Q245 PolarHBondContact CE1-OE1 3.23Å; H240-Q245 PolarHBondContact NE2-OE1 2.8Å; H240-Q245 VanDerWaalsContact NE2-OE1 3.11Å; H240-E246 CarbonylContact C-O 3.58Å; H240-E246 WeakPolarHBondContact CA-O 3.07Å; H240-E246 PolarHBondContact CD2-O 3Å; H240-I247 HydrophobicContact CB-CD1 3.71Å
241E94.3Very high94.6Very high16 Ų1637.8 Ų37.88%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-82.5102.3167.6-168.9-178173.200109.9S211 H212 Y213 S243 T244 Q245 E246 I248S211-E241 WeakPolarHBondContact CA-OE1 3.47Å; S211-E241 WeakPolarHBondContact CB-OE1 3.47Å; H212-E241 CarbonylContact O-C 3.47Å; H212-E241 WeakPolarHBondContact O-CA 3.34Å; Y213-E241 HydrophobicContact CD1-CB 3.81Å; Y213-E241 HydrophobicContact CD1-CG 4.05Å; Y213-E241 HydrophobicContact CE1-CB 3.63Å; Y213-E241 HydrophobicContact CE1-CG 3.66Å; E241-S243 PolarHBondContact O-N 2.97Å; E241-S243 VanDerWaalsContact O-N 3.14Å; E241-T244 PolarHBondContact O-N 3.46Å; E241-T244 PolarHBondContact OE2-OG1 2.86Å; E241-Q245 VanDerWaalsContact O-CA 3.23Å; E241-Q245 WeakPolarHBondContact O-CA 3.46Å; E241-Q245 PolarHBondContact O-N 2.71Å; E241-E246 PolarHBondContact N-O 3.31Å; E241-E246 PolarHBondContact O-N 3Å; E241-I248 HydrophobicContact CB-CD1 4.18Å
242L89.6Confident94.9Very high57 Ų5737.9 Ų37.930%0.29820%0.199SC..THydrogen-bonded Turntrans-68-16-175.2-75.2174.8000114.7H212 Y214 H240 Q245H212-L242 VanDerWaalsContact CE1-CD1 3.49Å; H212-L242 WeakPolarHBondContact CE1-CD1 3.33Å; H212-L242 PolarHBondContact O-N 3.2Å; Y214-L242 HydrophobicContact CD2-CD1 3.38Å; Y214-L242 HydrophobicContact CD2-CG 4.17Å; Y214-L242 HydrophobicContact CE2-CD1 3.38Å; H240-L242 VanDerWaalsContact CE1-CD2 3.4Å; H240-L242 WeakPolarHBondContact CE1-CD2 3.46Å; H240-L242 PolarHBondContact O-N 2.85Å; L242-Q245 PolarHBondContact O-NE2 3.46Å
243S88.6Confident95.1Very high48 Ų4839.1 Ų39.134%0.33620%0.204SC..THydrogen-bonded Turntrans-78.9-35.9-178.9-65.30000112.5R57 V210 E241R57-S243 PolarHBondContact NH2-OG 2.78Å; R57-S243 VanDerWaalsContact NH2-OG 3.09Å; V210-S243 PolarHBondContact O-OG 2.82Å; E241-S243 PolarHBondContact O-N 2.97Å; E241-S243 VanDerWaalsContact O-N 3.14Å
244T91.1Very high95.3Very high74 Ų7439.1 Ų39.145%0.45420%0.204SC..THydrogen-bonded Turntrans-103.9-10.1176.655.30000112.6E241 E246E241-T244 PolarHBondContact O-N 3.46Å; E241-T244 PolarHBondContact OE2-OG1 2.86Å; T244-E246 VanDerWaalsContact CB-OE2 3.23Å; T244-E246 WeakPolarHBondContact CB-OE2 3.21Å; T244-E246 PolarHBondContact O-N 2.89Å; T244-E246 WeakPolarHBondContact OG1-CB 3.46Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE2 2.89Å
245Q93.2Very high95.3Very high121 Ų12138 Ų3857%0.56520%0.199SC*.THydrogen-bonded Turntrans63.523.4-171.3-61.2-67.1-45.400113.7H240 E241 L242H240-Q245 PolarHBondContact CE1-OE1 3.23Å; H240-Q245 PolarHBondContact NE2-OE1 2.8Å; H240-Q245 VanDerWaalsContact NE2-OE1 3.11Å; E241-Q245 VanDerWaalsContact O-CA 3.23Å; E241-Q245 WeakPolarHBondContact O-CA 3.46Å; E241-Q245 PolarHBondContact O-N 2.71Å; L242-Q245 PolarHBondContact O-NE2 3.46Å
246E93.4Very high95.3Very high70 Ų7038 Ų3833%0.32720%0.199SC..EExtended strand (participates in β ladder)trans-86.7145.8-178.5-69.2169.5140.800112.2H240 E241 T244 L271H240-E246 CarbonylContact C-O 3.58Å; H240-E246 WeakPolarHBondContact CA-O 3.07Å; H240-E246 PolarHBondContact CD2-O 3Å; E241-E246 PolarHBondContact N-O 3.31Å; E241-E246 PolarHBondContact O-N 3Å; T244-E246 VanDerWaalsContact CB-OE2 3.23Å; T244-E246 WeakPolarHBondContact CB-OE2 3.21Å; T244-E246 PolarHBondContact O-N 2.89Å; T244-E246 WeakPolarHBondContact OG1-CB 3.46Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE2 2.89Å; E246-L271 HydrophobicContact CB-CD2 4.12Å; E246-L271 HydrophobicContact CG-CD2 4.24Å; E246-L271 WeakPolarHBondContact OE2-CD1 3.03Å
247I95.5Very high95.2Very high86 Ų8640.1 Ų40.144%0.44120%0.204SC..EExtended strand (participates in β ladder)trans-105115.7172.3-57.7-60.6000108.1L238 L239 H240L238-I247 HydrophobicContact CB-CG2 3.77Å; L238-I247 HydrophobicContact CD1-CG2 4.07Å; L238-I247 HydrophobicContact CD2-CG2 4.24Å; L238-I247 HydrophobicContact CG-CG2 4.24Å; L239-I247 CarbonylContact O-C 3.58Å; L239-I247 WeakPolarHBondContact O-CA 3.38Å; H240-I247 HydrophobicContact CB-CD1 3.71Å
248I96.1Very high95.1Very high3 Ų341.1 Ų41.12%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-108.9112.8-173.4-55.9167.2000108.9M206 Y213 L239 E241 C268 L271M206-I248 HydrophobicContact CE-CD1 4.18Å; M206-I248 HydrophobicContact CE-CG2 4.45Å; Y213-I248 HydrophobicContact CD1-CD1 4.4Å; Y213-I248 HydrophobicContact CE1-CD1 3.75Å; L239-I248 PolarHBondContact N-O 2.8Å; L239-I248 PolarHBondContact O-N 3.2Å; E241-I248 HydrophobicContact CB-CD1 4.18Å; I248-C268 HydrophobicContact CG2-CB 4.04Å; I248-L271 HydrophobicContact CD1-CD1 4Å; I248-L271 HydrophobicContact CD1-CG 4.36Å; I248-L271 HydrophobicContact CG1-CD1 4.44Å; I248-L271 HydrophobicContact CG1-CD2 4.05Å; I248-L271 HydrophobicContact CG1-CG 4.34Å
249P96.9Very high94.7Very high39 Ų3942.6 Ų42.625%0.25323%0.234SC..EExtended strand (participates in β ladder)trans-68.7131.5171.5-18.132.2000111V237 L238 C268 Q269V237-P249 CarbonylContact O-C 3.51Å; V237-P249 WeakPolarHBondContact O-CA 3.34Å; L238-P249 HydrophobicContact CD2-CB 4.04Å; L238-P249 HydrophobicContact CD2-CG 4.06Å; P249-C268 WeakPolarHBondContact O-CA 3.27Å; P249-Q269 PolarHBondContact O-N 3.03Å
250C97.7Very high94.5Very high0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-131.4129.4176.1-62.40000110.9T236 V237 I252 H267 C268T236-C250 WeakPolarHBondContact CA-O 3.3Å; V237-C250 HydrophobicContact CG2-CB 3.82Å; V237-C250 PolarHBondContact N-O 2.82Å; V237-C250 PolarHBondContact O-N 2.9Å; C250-I252 HydrophobicContact CB-CG1 4.42Å; C250-H267 CarbonylContact C-O 3.53Å; C250-H267 WeakPolarHBondContact CA-O 3.47Å; C250-C268 HydrophobicContact CB-CB 4.09Å; C250-C268 WeakPolarHBondContact CB-SG 3.47Å; C250-C268 WeakPolarHBondContact SG-CB 3.35Å; C250-C268 CovalentContact SG-SG 2.04Å; C250-C268 PolarHBondContact SG-SG 3.16Å
251H97.5Very high94.4Very high104 Ų10452.1 Ų52.148%0.48129%0.287SS..EExtended strand (participates in β ladder)trans-87.2125.7167-62.3-69.9000109.1Y235 T236 Y266 H267Y235-H251 CarbonylContact O-C 3.19Å; Y235-H251 VanDerWaalsContact O-CA 3.31Å; Y235-H251 WeakPolarHBondContact O-CA 3.49Å; T236-H251 PolarHBondContact OG1-CE1 2.83Å; T236-H251 PolarHBondContact OG1-ND1 2.8Å; H251-Y266 CarbonylContact O-C 3.44Å; H251-Y266 WeakPolarHBondContact O-CA 3.4Å; H251-Y266 WeakPolarHBondContact O-CB 3.19Å; H251-H267 PolarHBondContact N-O 2.77Å; H251-H267 PolarHBondContact O-N 2.93Å
252I97.9Very high94.4Very high2 Ų252 Ų521%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-126.7116.4-177.5-55.3-179000109.1V202 D234 Y235 V237 C250 V264 K265V202-I252 HydrophobicContact CB-CD1 4.35Å; V202-I252 HydrophobicContact CG2-CD1 3.59Å; V202-I252 HydrophobicContact CG2-CG1 3.94Å; D234-I252 WeakPolarHBondContact CA-O 3.44Å; Y235-I252 PolarHBondContact N-O 2.86Å; Y235-I252 PolarHBondContact O-N 2.85Å; V237-I252 HydrophobicContact CG1-CD1 4.33Å; V237-I252 HydrophobicContact CG2-CD1 3.49Å; V237-I252 VanDerWaalsContact CG2-CD1 3.49Å; V237-I252 HydrophobicContact CG2-CG1 4.08Å; C250-I252 HydrophobicContact CB-CG1 4.42Å; I252-V264 HydrophobicContact CG2-CG1 3.62Å; I252-K265 CarbonylContact C-O 3.58Å; I252-K265 WeakPolarHBondContact CA-O 3.36Å
253H97.3Very high94.7Very high47 Ų4756.2 Ų56.222%0.21830%0.302CS..EExtended strand (participates in β ladder)trans-92.8119.4168.4179.878000109.4D232 F233 D234 V264 K265D232-H253 IonicContact OD1-CE1 3.93Å; D232-H253 PolarHBondContact OD1-CE1 2.94Å; D232-H253 IonicContact OD1-ND1 3.41Å; D232-H253 IonicContact OD1-NE2 3.53Å; D232-H253 IonicContact OD2-CE1 2.75Å; F233-H253 CarbonylContact O-C 3.49Å; F233-H253 WeakPolarHBondContact O-CA 3.27Å; D234-H253 WeakPolarHBondContact OD1-CB 3.33Å; D234-H253 IonicContact OD1-CE1 2.81Å; D234-H253 IonicContact OD1-CG 3.75Å; D234-H253 IonicContact OD1-ND1 3.59Å; D234-H253 PolarHBondContact OD1-ND1 3.45Å; H253-V264 WeakPolarHBondContact O-CA 3.28Å; H253-K265 HydrophobicContact CB-CB 4.29Å; H253-K265 PolarHBondContact N-O 3.18Å; H253-K265 PolarHBondContact O-N 2.82Å
254L96.3Very high95.1Very high0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-125.1124-172.7179.1139.2000110.8L194 D232 F233 Y235 W256 L262 K263 V264L194-L254 HydrophobicContact CD2-CD2 4.37Å; L194-L254 WeakPolarHBondContact O-CD1 3.28Å; D232-L254 WeakPolarHBondContact CA-O 3.38Å; F233-L254 PolarHBondContact N-O 3.1Å; F233-L254 PolarHBondContact O-N 2.81Å; Y235-L254 HydrophobicContact CD2-CB 4.25Å; Y235-L254 HydrophobicContact CE2-CB 3.98Å; Y235-L254 HydrophobicContact CE2-CD1 4.48Å; Y235-L254 HydrophobicContact CE2-CD2 4.31Å; Y235-L254 HydrophobicContact CE2-CG 4.49Å; L254-W256 HydrophobicContact CD2-CB 3.86Å; L254-L262 HydrophobicContact CD1-CD1 3.91Å; L254-L262 HydrophobicContact CD1-CD2 4.1Å; L254-L262 HydrophobicContact CD1-CG 4.34Å; L254-L262 HydrophobicContact CD2-CD1 4.22Å; L254-L262 HydrophobicContact CG-CD1 3.95Å; L254-K263 WeakPolarHBondContact CA-O 3.48Å; L254-V264 HydrophobicContact CD1-CG2 4.5Å
255V95.6Very high95.5Very high24 Ų2458.9 Ų58.915%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-114.8123.9171-1750000109.6T230 I231 D232 K263T230-V255 HydrophobicContact CG2-CG1 4.17Å; I231-V255 CarbonylContact O-C 3.56Å; I231-V255 WeakPolarHBondContact O-CA 3.28Å; D232-V255 HydrophobicContact CB-CG2 4.46Å; V255-K263 HydrophobicContact CB-CB 4.21Å; V255-K263 PolarHBondContact N-O 3.05Å; V255-K263 PolarHBondContact O-N 2.83Å; V255-K263 VanDerWaalsContact O-N 3.11Å
256W95.8Very high95.7Very high2 Ų256.8 Ų56.81%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-133.9142.4-174.6178.674.7000112.9G75 P77 D158 L161 Y162 L194 I231 L254 P258 L262G75-W256 PolarHBondContact O-NE1 2.88Å; P77-W256 HydrophobicContact CG-CZ2 4.16Å; D158-W256 HydrophobicContact CB-CZ2 4.21Å; D158-W256 WeakPolarHBondContact O-CH2 3.49Å; L161-W256 HydrophobicContact CB-CH2 4.45Å; L161-W256 HydrophobicContact CD2-CH2 4.18Å; L161-W256 HydrophobicContact CG-CH2 4.39Å; Y162-W256 HydrophobicContact CD2-CZ3 4.31Å; L194-W256 HydrophobicContact CD1-CE3 4.37Å; L194-W256 HydrophobicContact CD2-CB 4.27Å; L194-W256 HydrophobicContact CD2-CD2 3.77Å; L194-W256 HydrophobicContact CD2-CE3 3.99Å; L194-W256 HydrophobicContact CD2-CG 3.89Å; I231-W256 HydrophobicContact CB-CE3 3.99Å; I231-W256 HydrophobicContact CG1-CE3 3.75Å; I231-W256 HydrophobicContact CG1-CZ3 4.08Å; I231-W256 PolarHBondContact N-O 3.42Å; I231-W256 PolarHBondContact O-N 2.82Å; L254-W256 HydrophobicContact CD2-CB 3.86Å; W256-P258 HydrophobicContact CH2-CG 3.81Å; W256-P258 HydrophobicContact CZ2-CG 3.98Å; W256-P258 HydrophobicContact CZ3-CG 4.37Å; W256-L262 HydrophobicContact CB-CD1 3.79Å; W256-L262 HydrophobicContact CG-CD1 4.08Å
257Y94.7Very high95.9Very high73 Ų7359.4 Ų59.429%0.28630%0.302SS..  trans-147.8138.6168.2-176.9-89.7000109.1Y162 D229 G259 K260Y162-Y257 HydrophobicContact CE1-CE2 4.38Å; Y162-Y257 HydrophobicContact CE2-CD2 4.1Å; Y162-Y257 HydrophobicContact CE2-CE2 4.21Å; D229-Y257 HydrophobicContact CB-CE2 4.08Å; D229-Y257 WeakPolarHBondContact O-CD2 3.31Å; D229-Y257 WeakPolarHBondContact O-CE2 3.33Å; Y257-G259 PolarHBondContact O-N 2.85Å; Y257-K260 HydrophobicContact CD1-CB 4.46Å; Y257-K260 HydrophobicContact CD1-CG 3.64Å; Y257-K260 HydrophobicContact CG-CG 4.31Å; Y257-K260 PolarHBondContact O-N 2.86Å
258P94.3Very high95.9Very high20 Ų2056 Ų5613%0.1329%0.286CS..THydrogen-bonded Turntrans-50.4123.9-179.4-29.735.3000113.8D158 Y162 W256 K260D158-P258 HydrophobicContact CB-CB 4.2Å; Y162-P258 VanDerWaalsContact CB-CG 3.41Å; Y162-P258 HydrophobicContact CD1-CG 4.49Å; Y162-P258 HydrophobicContact CD2-CG 4.32Å; Y162-P258 HydrophobicContact CG-CG 3.83Å; W256-P258 HydrophobicContact CH2-CG 3.81Å; W256-P258 HydrophobicContact CZ2-CG 3.98Å; W256-P258 HydrophobicContact CZ3-CG 4.37Å; P258-K260 VanDerWaalsContact C-N 3.25Å; P258-K260 PolarHBondContact O-N 2.86Å
259G90.7Very high95.7Very high66 Ų6662 Ų6268%0.6831%0.314SS*.THydrogen-bonded Turntrans75.83.2176.900000115.7Y257Y257-G259 PolarHBondContact O-N 2.85Å
260K92.9Very high94.7Very high132 Ų13268.3 Ų68.357%0.57434%0.34SS*.SBendtrans-99.5153.5169.9-62.6-70.3-177.81780110.1Y257 P258 L262Y257-K260 HydrophobicContact CD1-CB 4.46Å; Y257-K260 HydrophobicContact CD1-CG 3.64Å; Y257-K260 HydrophobicContact CG-CG 4.31Å; Y257-K260 PolarHBondContact O-N 2.86Å; P258-K260 VanDerWaalsContact C-N 3.25Å; P258-K260 PolarHBondContact O-N 2.86Å; K260-L262 PolarHBondContact O-N 2.83Å
261P92.9Very high93.1Very high111 Ų11172.1 Ų72.172%0.72136%0.36SS*.PPolyproline II helixtrans-57.7136.8173.1-23.434.2000111.3
262L94.8Very high90.5Very high12 Ų1275.9 Ų75.96%0.06338%0.378CS..PPolyproline II helixtrans-66.9134.8174.6-168.773.7000109.8F72 L197 L254 W256 K260 V264F72-L262 HydrophobicContact CD2-CD2 4.18Å; F72-L262 HydrophobicContact CE2-CB 4.44Å; L197-L262 HydrophobicContact CD2-CD1 4.18Å; L197-L262 HydrophobicContact CD2-CD2 4.19Å; L197-L262 HydrophobicContact CG-CD2 3.86Å; L254-L262 HydrophobicContact CD1-CD1 3.91Å; L254-L262 HydrophobicContact CD1-CD2 4.1Å; L254-L262 HydrophobicContact CD1-CG 4.34Å; L254-L262 HydrophobicContact CD2-CD1 4.22Å; L254-L262 HydrophobicContact CG-CD1 3.95Å; W256-L262 HydrophobicContact CB-CD1 3.79Å; W256-L262 HydrophobicContact CG-CD1 4.08Å; K260-L262 PolarHBondContact O-N 2.83Å; L262-V264 HydrophobicContact CD2-CG2 3.56Å; L262-V264 HydrophobicContact CG-CG2 3.78Å
263K96.1Very high87.8Confident147 Ų14781.6 Ų81.664%0.63941%0.413SS*.EExtended strand (participates in β ladder)trans-107.4127.4170.7-61176.2-177.9175.30108.5L254 V255L254-K263 WeakPolarHBondContact CA-O 3.48Å; V255-K263 HydrophobicContact CB-CB 4.21Å; V255-K263 PolarHBondContact N-O 3.05Å; V255-K263 PolarHBondContact O-N 2.83Å; V255-K263 VanDerWaalsContact O-N 3.11Å
264V97.8Very high85Confident21 Ų2185.1 Ų85.113%0.12744%0.44CS..EExtended strand (participates in β ladder)trans-131.9131.3-179.4-173.40000108.4Y201 V202 I252 H253 L254 L262Y201-V264 HydrophobicContact CD1-CB 3.71Å; Y201-V264 HydrophobicContact CD1-CG1 3.59Å; Y201-V264 HydrophobicContact CD1-CG2 4.48Å; Y201-V264 HydrophobicContact CE1-CB 4.31Å; Y201-V264 HydrophobicContact CE1-CG1 4.33Å; Y201-V264 HydrophobicContact CG-CB 3.94Å; Y201-V264 HydrophobicContact CG-CG1 4.15Å; Y201-V264 HydrophobicContact CG-CG2 4.26Å; V202-V264 HydrophobicContact CG2-CG1 4.48Å; I252-V264 HydrophobicContact CG2-CG1 3.62Å; H253-V264 WeakPolarHBondContact O-CA 3.28Å; L254-V264 HydrophobicContact CD1-CG2 4.5Å; L262-V264 HydrophobicContact CD2-CG2 3.56Å; L262-V264 HydrophobicContact CG-CG2 3.78Å
265K97.8Very high82.1Confident157 Ų15793.8 Ų93.868%0.68348%0.481SS*.EExtended strand (participates in β ladder)trans-121.2147161.6-62.9179.4-179.8176.70107.2I252 H253I252-K265 CarbonylContact C-O 3.58Å; I252-K265 WeakPolarHBondContact CA-O 3.36Å; H253-K265 HydrophobicContact CB-CB 4.29Å; H253-K265 PolarHBondContact N-O 3.18Å; H253-K265 PolarHBondContact O-N 2.82Å
266Y98Very high79.3Confident76 Ų76101.3 Ų101.330%0.29851%0.514SS..EExtended strand (participates in β ladder)trans-150.1161.1-179.776.7-73.2000111.8Y201 V202 E205 M206 H251Y201-Y266 HydrophobicContact CD1-CD1 4.24Å; Y201-Y266 HydrophobicContact CD1-CE1 4.5Å; Y201-Y266 AromaticContact CE1-CD1 3.83Å; Y201-Y266 HydrophobicContact CE1-CD1 3.83Å; Y201-Y266 AromaticContact CE1-CE1 3.84Å; Y201-Y266 HydrophobicContact CE1-CE1 3.84Å; V202-Y266 HydrophobicContact CB-CD2 4.34Å; V202-Y266 HydrophobicContact CB-CG 4.42Å; V202-Y266 HydrophobicContact CG1-CD2 3.57Å; V202-Y266 HydrophobicContact CG1-CE2 3.78Å; V202-Y266 HydrophobicContact CG1-CG 4.12Å; V202-Y266 HydrophobicContact CG2-CD1 4.01Å; V202-Y266 HydrophobicContact CG2-CD2 3.93Å; V202-Y266 HydrophobicContact CG2-CG 3.57Å; E205-Y266 VanDerWaalsContact CD-OH 3.26Å; E205-Y266 HydrophobicContact CG-CE1 4.38Å; E205-Y266 VanDerWaalsContact CG-OH 3.25Å; E205-Y266 WeakPolarHBondContact CG-OH 3.4Å; E205-Y266 WeakPolarHBondContact OE2-CE1 3.14Å; E205-Y266 PolarHBondContact OE2-OH 2.99Å; M206-Y266 HydrophobicContact CG-CE2 4.43Å; M206-Y266 HydrophobicContact SD-CE2 4.49Å; H251-Y266 CarbonylContact O-C 3.44Å; H251-Y266 WeakPolarHBondContact O-CA 3.4Å; H251-Y266 WeakPolarHBondContact O-CB 3.19Å
267H97.1Very high76.5Confident125 Ų125106 Ų10658%0.57955%0.553SS**EExtended strand (participates in β ladder)trans-142.7126168.4176.667.2000107.6C250 H251C250-H267 CarbonylContact C-O 3.53Å; C250-H267 WeakPolarHBondContact CA-O 3.47Å; H251-H267 PolarHBondContact N-O 2.77Å; H251-H267 PolarHBondContact O-N 2.93Å
268C96Very high74.3Confident15 Ų15107.7 Ų107.710%0.10158%0.576CS.*EExtended strand (participates in β ladder)trans-109.4146.2174.4-62.70000109M206 I248 P249 C250 E270M206-C268 HydrophobicContact CE-CB 4.38Å; M206-C268 HydrophobicContact SD-CB 4.36Å; M206-C268 PolarHBondContact SD-SG 3.23Å; I248-C268 HydrophobicContact CG2-CB 4.04Å; P249-C268 WeakPolarHBondContact O-CA 3.27Å; C250-C268 HydrophobicContact CB-CB 4.09Å; C250-C268 WeakPolarHBondContact CB-SG 3.47Å; C250-C268 WeakPolarHBondContact SG-CB 3.35Å; C250-C268 CovalentContact SG-SG 2.04Å; C250-C268 PolarHBondContact SG-SG 3.16Å; C268-E270 PolarHBondContact O-N 2.97Å
269Q91.4Very high71.5Confident128 Ų128110 Ų11060%0.59860%0.603SS**PPolyproline II helixtrans-62127.6172.6-171.2171.3-0.700109.1P249 L271P249-Q269 PolarHBondContact O-N 3.03Å; Q269-L271 PolarHBondContact O-N 2.93Å
270E77.1Confident69.4Low172 Ų172113 Ų11380%0.80461%0.609SS**PPolyproline II helixtrans-66132174.6-75176.9177.900109.5C268 Q272C268-E270 PolarHBondContact O-N 2.97Å; E270-Q272 PolarHBondContact O-N 3.1Å
271L62.6Low66.9Low80 Ų80115.5 Ų115.542%0.41962%0.622SS.*PPolyproline II helixtrans-65.9118169.5-69.1165.7000107.2E246 I248 Q269 T273E246-L271 HydrophobicContact CB-CD2 4.12Å; E246-L271 HydrophobicContact CG-CD2 4.24Å; E246-L271 WeakPolarHBondContact OE2-CD1 3.03Å; I248-L271 HydrophobicContact CD1-CD1 4Å; I248-L271 HydrophobicContact CD1-CG 4.36Å; I248-L271 HydrophobicContact CG1-CD1 4.44Å; I248-L271 HydrophobicContact CG1-CD2 4.05Å; I248-L271 HydrophobicContact CG1-CG 4.34Å; Q269-L271 PolarHBondContact O-N 2.93Å; L271-T273 PolarHBondContact O-N 3.39Å
272Q43.7Very low64.1Low184 Ų184119.9 Ų119.986%0.8663%0.633SS**  trans-65.9105.6168.2-68.6-172.4-1.200107.1E270 P274E270-Q272 PolarHBondContact O-N 3.1Å; Q272-P274 WeakPolarHBondContact O-CD 3.2Å
273T42.2Very low61.3Low121 Ų121122.9 Ų122.974%0.74267%0.667SS**  trans-58125.4157.238.70000106.4L271 E275L271-T273 PolarHBondContact O-N 3.39Å; T273-E275 PolarHBondContact O-N 3.31Å
274P38.1Very low58.5Low121 Ų121121.3 Ų121.379%0.78668%0.675SS**  trans-55.7112.9170.2-17.528.7000106.6Q272 E276Q272-P274 WeakPolarHBondContact O-CD 3.2Å; P274-E276 PolarHBondContact O-N 3.5Å; P274-E276 VanDerWaalsContact O-N 3.11Å
275E35.8Very low55.5Low182 Ų182125.4 Ų125.485%0.8571%0.711SS**  trans-51.2122.4160.5-83.3179.4147.600105.2T273 A277T273-E275 PolarHBondContact O-N 3.31Å; E275-A277 PolarHBondContact O-N 3.47Å
276E36.3Very low52.7Low183 Ų183123.7 Ų123.786%0.85571%0.713SS**  trans-45.6111.1170.3-70.7178.815500106.3P274 S278P274-E276 PolarHBondContact O-N 3.5Å; P274-E276 VanDerWaalsContact O-N 3.11Å; E276-S278 PolarHBondContact O-N 3.42Å
277A37.4Very low49.9Very low100 Ų100126 Ų12683%0.82674%0.737SS**  trans-63.487.6177.500000106.9E275 G279E275-A277 PolarHBondContact O-N 3.47Å; A277-G279 PolarHBondContact O-N 3.32Å
278S47.3Very low47Very low108 Ų108126.6 Ų126.676%0.75575%0.75SS**  trans-76.557.5164.6800000108.1E276 T280E276-S278 PolarHBondContact O-N 3.42Å; S278-T280 PolarHBondContact O-N 3.38Å; S278-T280 VanDerWaalsContact O-N 3.14Å
279G36.3Very low44.3Very low69 Ų69134.7 Ų134.771%0.71179%0.786SS**  trans-80.378.516500000107.9A277 E281A277-G279 PolarHBondContact O-N 3.32Å; G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.34Å
280T45.2Very low41.8Very low129 Ų129137 Ų13779%0.79180%0.801SS**  trans-77.992.7163.7-38.70000105.9S278S278-T280 PolarHBondContact O-N 3.38Å; S278-T280 VanDerWaalsContact O-N 3.14Å
281E41.7Very low39.6Very low184 Ų184134 Ų13486%0.8680%0.799SS**  trans-173106.7160-110.7174-153.600109.6G279G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.34Å
282E34.1Very low38.5Very low204 Ų204137.9 Ų137.995%0.95382%0.821SS**  trans-167.195133.9-110.3177179.900109.5
283G35.7Very low38.4Very low74 Ų74142.8 Ų142.876%0.76384%0.84SS**  trans-137.179.3170.200000109.7
284S37.2Very low38.2Very low115 Ų115143.9 Ų143.980%0.80485%0.845SS**  trans17998145.9-89.70000110.5V286S284-V286 PolarHBondContact O-N 3.46Å
285A34.9Very low38.2Very low107 Ų107145.1 Ų145.188%0.88485%0.848SS**PPolyproline II helixtrans-72.1117.1158.700000108.5
286V39Very low38.3Very low121 Ų121143 Ų14373%0.73385%0.848SS**PPolyproline II helixtrans-97.5126.4160.7-171.20000106.6S284 T288S284-V286 PolarHBondContact O-N 3.46Å; V286-T288 PolarHBondContact O-N 3.2Å
287P38.7Very low38.5Very low123 Ų123140.6 Ų140.680%0.79985%0.847SS**PPolyproline II helixtrans-79.8120.41785.510.3000109.5
288T37.1Very low38.5Very low138 Ų138143.2 Ų143.285%0.84785%0.848SS**PPolyproline II helixtrans-94.1122.7164.5-42.70000108.3V286V286-T288 PolarHBondContact O-N 3.2Å
289E38.2Very low38Very low186 Ų186145.5 Ų145.587%0.86986%0.855SS**PPolyproline II helixtrans-60.5148.3-176.3-68.3-157.7145.900114.3
290L40.3Very low38.1Very low175 Ų175151 Ų15192%0.91687%0.865SS**PPolyproline II helixtrans-62.5125.4171-73.6153.2000111.6
291S30.7Very low37.5Very low109 Ų109152.7 Ų152.776%0.76287%0.87SS**  trans-150.4109.1141.764.40000108.9
292N39.5Very low37.2Very low162 Ų162150.1 Ų150.187%0.86687%0.871SS**  trans-139.4144.8155.5-88.2-23.2000106
293F40.7Very low37.5Very low287 Ų287145.2 Ų145.2100%1.25986%0.864SS**  trans-52.10167.3-79.2-90.3000111.9

Retrieved 293 of 293 residues in 76.9 ms (Link to these results)