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Ran-specific GTPase-activating protein 1

Stimulates the GTPase activity in the presence of RNA1. May potentiate the action of RanGAP1 (RNA1), thus playing the role of a negative regulator.

AlphaFold DB , UniProt , Accession Q09717, Species SCHPO (Schizosaccharomyces pombe (strain 972 / ATCC 24843), Fission yeast), Gene sbp1, Length 215 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
1M49.4Very low47.6Very low241 Ų241150 Ų150100%1.18780%0.801SS**  01220-79.9-169.5167.800107.8
2S48.7Very low46.4Very low117 Ų117148.9 Ų148.982%0.81880%0.804SS**  trans53.8104.7155.6-50.80000118.3
3A52Low45.8Very low83 Ų83148.2 Ų148.269%0.68681%0.809SS**  94.3107.278.300000109.5
4E53.2Low45.4Very low177 Ų177150.1 Ų150.183%0.82781%0.805SS**  111118.180-159.2162.9148.400105.8
5Q57.5Low45Very low181 Ų181152.5 Ų152.585%0.84681%0.809SS**  -165.1131.281.1-85.3176.2-20.300111.6
6E47.6Very low44.4Very low168 Ų168153.3 Ų153.379%0.78581%0.807SS**  trans-69.6165.1153.2-50.9179.1125.700109.1
7K49Very low44Very low153 Ų153155.2 Ų155.267%0.66581%0.81SS**  174.3141.458.9-134.8-177.2-172.2167.40109.6
8K45.1Very low43.4Very low167 Ų167157.8 Ų157.873%0.72681%0.814SS**  53.5141.1128.5-78.5-174.1-171.9-1720119.1
9T40.7Very low43.1Very low100 Ų100155 Ų15561%0.61381%0.81SS**  cis-174.1154.819.6-3.90000110.1
10Q40.7Very low42.6Very low187 Ų187153 Ų15387%0.87481%0.809SS**  trans67.5132138.1-75166.47.500122.1
11G39.2Very low42.3Very low76 Ų76155.3 Ų155.378%0.78481%0.813SS**  trans162.270.7155.300000114
12T33.8Very low41.7Very low137 Ų137147.8 Ų147.884%0.8479%0.789SS**  trans-74.7127.1171.1-50.50000110.3
13T38.9Very low41.1Very low140 Ų140146.9 Ų146.986%0.85978%0.783SS**  trans-150121.4151.613.20000110.6
14K39.7Very low40.3Very low175 Ų175151.4 Ų151.476%0.76179%0.79SS**  trans-61.8140.2163.8-81.4175.3161.1-170.80109.8
15E38.8Very low39.6Very low186 Ų186150.1 Ų150.187%0.86979%0.789SS**  trans-137.7102.8148.3-114.6178.617100109.2Q17E15-Q17 PolarHBondContact O-N 3.11Å
16E35.9Very low38.9Very low164 Ų164148.1 Ų148.177%0.76679%0.789SS**  trans-74.4106.9162.6-78.7171111.200107.8K18E16-K18 PolarHBondContact O-N 3.17Å
17Q37.6Very low38.7Very low186 Ų186144.6 Ų144.687%0.86979%0.788SS**  trans-84.192.6163.5-81.8-173.2-45.500109.6E15E15-Q17 PolarHBondContact O-N 3.11Å
18K34Very low38.5Very low202 Ų202142.1 Ų142.188%0.87879%0.79SS**  trans-77109.7149.9-94.1177.5173.5173.80107.5E16E16-K18 PolarHBondContact O-N 3.17Å
19S36.5Very low38.5Very low105 Ų105143.8 Ų143.873%0.73480%0.797SS**  trans-110.3102.415958.10000109.1
20S33.6Very low38.8Very low114 Ų114146.5 Ų146.580%0.79780%0.803SS**  trans-70.6116.8157.949.60000108.2
21F36Very low39Very low202 Ų202143.5 Ų143.589%0.88680%0.798SS**  trans-110.4106.2155.7-103.6-88.3000108.1
22A38.2Very low39.3Very low84 Ų84148.3 Ų148.369%0.69480%0.8SS**  trans-65.3154.516700000110
23S36.2Very low39.9Very low97 Ų97149.6 Ų149.668%0.67880%0.796SS**  trans-34.9160.8169.7480000117.5
24E34.2Very low40.3Very low179 Ų179145.3 Ų145.384%0.83678%0.775SS**  trans107.7135.8159.8-58.4175.2136.800113.7
25D37.4Very low40.6Very low149 Ų149145.8 Ų145.880%0.79778%0.777SS**SBendtrans89.945.2177.4-59.5-38.8000121
26V42.9Very low41.3Very low140 Ų140141.3 Ų141.385%0.84877%0.772SS**SBendtrans-142.357.4151.9-163.80000110.9
27A43.7Very low42.4Very low94 Ų94136.9 Ų136.978%0.77776%0.756SS**SBendtrans-130.80.8-179.400000114.8
28S45.7Very low43.3Very low101 Ų101130.9 Ų130.971%0.70673%0.727SS**SBendtrans-1188.2-164.648.30000116.3
29K44.4Very low44.1Very low202 Ų202124.6 Ų124.688%0.87872%0.72SS**SBendtrans-125.110179.3-79.3-172.6174.3-176.90116.4
30Q48.1Very low44.6Very low156 Ų156127.1 Ų127.173%0.72973%0.725SS**  trans-99.213.1-174.6-73.5-173.6-25.300115.6
31T44.2Very low44.9Very low125 Ų125125.2 Ų125.277%0.76772%0.723SS**SBendtrans-95.9-9.2-166.732.40000116.9
32E45.9Very low45.1Very low177 Ų177122.2 Ų122.283%0.82772%0.721SS**SBendtrans-108.6-31.1-176.9-77.1-136.8126.400116.2
33E46.7Very low45.2Very low164 Ų164123 Ų12377%0.76673%0.728SS**G310 helixtrans-89.5-10.2-170.5-65.1-173.2160.100114.9K35E33-K35 PolarHBondContact O-N 3.35Å
34A45.7Very low45.2Very low49 Ų49126.7 Ų126.741%0.40573%0.731SS.*G310 helixtrans-72.9-9.4179.700000114.7
35K45.9Very low45.6Very low186 Ų186127.3 Ų127.381%0.80973%0.734SS**G310 helixtrans-88.5-17.5-177.3-79.2-179.6177.41750114.9E33E33-K35 PolarHBondContact O-N 3.35Å
36A54.5Low45.4Very low91 Ų91127.6 Ų127.675%0.75273%0.731SS**SBendtrans-87-18.8-170.300000115.1
37V58.3Low45.2Very low71 Ų71128.9 Ų128.943%0.4373%0.733SS.*SBendtrans-92.8-7.7-171.6-179.10000113.6F104V37-F104 HydrophobicContact CG1-CE1 4.41Å
38F57.6Low44.9Very low60 Ų60134.1 Ų134.126%0.26374%0.738SS.*SBendtrans-120.612.6-170.1-68.9-76.3000115.9
39G50.2Low44.7Very low71 Ų71135.5 Ų135.573%0.73275%0.748SS**  trans-91101.7-179.200000114.6
40D46.2Very low44.6Very low158 Ų158129.2 Ų129.285%0.84574%0.74SS**  trans-76.3124.1162.5-116-40.3000108.9
41G41.9Very low44.2Very low74 Ų74126.6 Ų126.676%0.76375%0.746SS**  trans-157.178.9-177.800000112.2
42V38.3Very low44.2Very low139 Ų139125.7 Ų125.784%0.84275%0.745SS**  trans-75.5119.7168.2169.60000109
43A40.5Very low43.8Very low101 Ų101123.4 Ų123.484%0.83574%0.743SS**  trans-139.9106.1162.300000109.7
44K37.6Very low43.5Very low173 Ų173122 Ų12275%0.75274%0.74SS**  trans-85.2125.6173.9-167.4-176.7-175-1680107.9E46K44-E46 IonicContact NZ-OE1 2.99Å
45Q41Very low43.5Very low192 Ų192125.5 Ų125.590%0.89775%0.752SS**  trans-115.8116.3168.4-103.1-175.2-4900109.6
46E33.9Very low43.4Very low155 Ų155125.1 Ų125.172%0.72475%0.753SS**  trans-94.1140164.2-75.2176.2171.500108.8K44K44-E46 IonicContact NZ-OE1 2.99Å
47N38.5Very low42.9Very low167 Ų167131.1 Ų131.189%0.89376%0.763SS**  trans-129.2126.5169.5-116.2-5000110.1
48K37.3Very low42.4Very low204 Ų204137 Ų13789%0.88778%0.783SS**  trans-104.7137.9176.2-85.8-179.1173.3176.40110.3
49S43.1Very low41.5Very low130 Ų130139.6 Ų139.691%0.90981%0.805SS**  trans-173.6136.5155.655.20000107.8
50G40.4Very low41.1Very low70 Ų70140.9 Ų140.972%0.72281%0.809SS**  cis-172.21510.300000107.4
51A41.6Very low40.7Very low102 Ų102143.1 Ų143.184%0.84381%0.814SS**  57.9125116.400000115.6
52S43.4Very low40.6Very low106 Ų106142.1 Ų142.174%0.74180%0.804SS**  cis-170151.325.5-74.30000111.6
53T38.4Very low41Very low128 Ų128143.2 Ų143.279%0.78581%0.805SS**  trans16.1144.8141.860.90000120.3
54N40.3Very low41.3Very low134 Ų134147 Ų14772%0.71781%0.806SS**  cis-175.2170.429.8-149.230.7000110.9
55D45.1Very low42.1Very low123 Ų123146.1 Ų146.166%0.65881%0.809SS**  trans96.491.5151.6-69-58.8000122.5
56E43.1Very low42.8Very low178 Ų178141 Ų14183%0.83280%0.8SS**  35.4112.4127.9-62.1-170.8146.100122.8
57K44.6Very low44.4Very low217 Ų217141.9 Ų141.994%0.94380%0.804SS**  -168131.1125-109.5168.5-175.8172.80113.2
58K46.9Very low45.5Very low196 Ų196139.4 Ų139.485%0.85280%0.797SS**  trans-84.6177.3-176.3-159.5-176-178.8-1760111.6
59P39Very low47Very low114 Ų114134.4 Ų134.474%0.7479%0.794SS**  -116.8152.9-55.931.7-16.6000112.1
60A41.9Very low48.4Very low97 Ų97133.2 Ų133.280%0.80279%0.785SS**  trans-155.6121.415900000110.9
61E39.1Very low50.2Low205 Ų205135.2 Ų135.296%0.95879%0.785SS**  trans-4.7116.9154.6-62.8168.317200115.9
62G38.5Very low52Low54 Ų54139.7 Ų139.756%0.55779%0.789SS**  trans-14897.1175.500000109.9E64G62-E64 VanDerWaalsContact C-N 3.3Å; G62-E64 PolarHBondContact O-N 3.31Å
63D48Very low54.1Low161 Ų161139.4 Ų139.486%0.86178%0.782SS**  trans-67.685.1168.3-167.724.5000107.9
64E46Very low56.6Low182 Ų182140.7 Ų140.785%0.8578%0.779SS**  trans-100.524.3-167.2-74.2-169.817400114.8G62G62-E64 VanDerWaalsContact C-N 3.3Å; G62-E64 PolarHBondContact O-N 3.31Å
65D54.5Low59Low154 Ų154142.1 Ų142.182%0.82478%0.779SS**  trans-122.236.2176-144.612.6000112.9
66A55.3Low61.2Low84 Ų84144.4 Ų144.469%0.69479%0.786SS**  trans-91.894.8166.800000108.9
67E67.1Low63.5Low174 Ų174140.9 Ų140.981%0.81378%0.778SS**  trans-49129.7164.7-76.5-153.7160.700108.6A69E67-A69 PolarHBondContact O-N 3.1Å
68P62.2Low65.9Low115 Ų115138.8 Ų138.875%0.74778%0.776SS**  trans-58.9113.8-179.423.8-32.1000108.1S70P68-S70 PolarHBondContact O-N 3.28Å
69A68.1Low68.1Low99 Ų99134.1 Ų134.182%0.81876%0.764SS**  trans-52.2103.3177.700000108.4E67E67-A69 PolarHBondContact O-N 3.1Å
70S72.9Confident70.5Confident104 Ų104138.3 Ų138.373%0.72777%0.77SS**  trans-62.9125.9178.2-72.10000107.2P68 E72P68-S70 PolarHBondContact O-N 3.28Å; S70-E72 PolarHBondContact O-N 3.31Å
71P77.2Confident73Confident112 Ų112141.1 Ų141.173%0.72777%0.771SS**  trans-59.8118.6-178.623-31.6000108.5V73P71-V73 VanDerWaalsContact C-N 3.3Å; P71-V73 WeakPolarHBondContact O-CG2 3.4Å; P71-V73 PolarHBondContact O-N 3.27Å
72E80Confident75.5Confident196 Ų196136 Ų13692%0.91676%0.758SS**  trans-74.687.3-178-160.3153.9-153.900108.7S70 H74S70-E72 PolarHBondContact O-N 3.31Å; E72-H74 PolarHBondContact O-N 3.45Å
73V87.6Confident78.1Confident100 Ų100138.6 Ų138.661%0.60677%0.774SS**  trans-75.6108.4-179-172.10000109P71 F75P71-V73 VanDerWaalsContact C-N 3.3Å; P71-V73 WeakPolarHBondContact O-CG2 3.4Å; P71-V73 PolarHBondContact O-N 3.27Å; V73-F75 HydrophobicContact CB-CE2 4.16Å; V73-F75 HydrophobicContact CG1-CD2 4.17Å; V73-F75 HydrophobicContact CG1-CE1 4.44Å; V73-F75 HydrophobicContact CG1-CE2 3.38Å; V73-F75 HydrophobicContact CG1-CZ 3.55Å
74H90.4Very high80.3Confident156 Ų156136.3 Ų136.372%0.72277%0.765SS**  trans-89140.1175.2-17673.1000111.6E72E72-H74 PolarHBondContact O-N 3.45Å
75F91.6Very high82.5Confident163 Ų163136 Ų13672%0.71576%0.764SS**  trans-127.4134.6172.1-65.2-88.4000109.8V73 P77V73-F75 HydrophobicContact CB-CE2 4.16Å; V73-F75 HydrophobicContact CG1-CD2 4.17Å; V73-F75 HydrophobicContact CG1-CE1 4.44Å; V73-F75 HydrophobicContact CG1-CE2 3.38Å; V73-F75 HydrophobicContact CG1-CZ 3.55Å; F75-P77 WeakPolarHBondContact O-CD 3.48Å
76E90.7Very high84.2Confident171 Ų171134.4 Ų134.480%0.79976%0.76SS**  trans-70.4127.6171.9-71.1-166165.900110.5I78E76-I78 PolarHBondContact O-N 2.91Å
77P92.4Very high86Confident104 Ų104137.6 Ų137.668%0.67576%0.758SS**  trans-63.9126.6178.1-22.633.2000112.1F75 V79F75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-V79 PolarHBondContact O-N 2.96Å
78I93.5Very high87.3Confident173 Ų173132.8 Ų132.889%0.88774%0.741SS**SBendtrans-65.1-30.6175.2-57.7170.2000110.9E76E76-I78 PolarHBondContact O-N 2.91Å
79V93.3Very high88.8Confident99 Ų99133.1 Ų133.160%0.674%0.736SS**  trans-133.2135-176-176.10000110P77 L81P77-V79 PolarHBondContact O-N 2.96Å; V79-L81 HydrophobicContact CG1-CD2 3.88Å; V79-L81 HydrophobicContact CG1-CG 4.42Å
80K91Very high90.1Very high202 Ų202129.5 Ų129.588%0.87870%0.703SS**PPolyproline II helixtrans-94.9118.4169-65.3-179.2-178.61780108.7
81L92.7Very high91.2Very high156 Ų156128.6 Ų128.682%0.81769%0.687SS**PPolyproline II helixtrans-98.7133.1175.6-61176.7000109.3V79V79-L81 HydrophobicContact CG1-CD2 3.88Å; V79-L81 HydrophobicContact CG1-CG 4.42Å
82S92.8Very high92.1Very high98 Ų98128.1 Ų128.169%0.68568%0.675SS**PPolyproline II helixtrans-79.5152.5166.3510000110V84S82-V84 PolarHBondContact O-N 3.45Å
83A92.9Very high93Very high107 Ų107120 Ų12088%0.88464%0.637SS**PPolyproline II helixtrans-61.8128.6169.400000109.1
84V93.8Very high93.5Very high113 Ų113117.9 Ų117.969%0.68562%0.624SS**  trans-113.1125.2176.6-179.10000107.7S82 T86S82-V84 PolarHBondContact O-N 3.45Å; V84-T86 PolarHBondContact O-N 3.45Å
85E92.1Very high93.8Very high176 Ų176114.3 Ų114.382%0.82261%0.613SS**  trans-66121.9169.9-171.4179.5177.900108.7
86T91.5Very high94.1Very high121 Ų121110 Ų11074%0.74260%0.595SS**  trans-108.5131.8-178.451.10000109.7V84V84-T86 PolarHBondContact O-N 3.45Å
87K92.6Very high94.5Very high151 Ų151102.5 Ų102.566%0.65756%0.56SS**  trans-97.9143.1172.5-64.7-174.8178.1-176.40109.6N89K87-N89 VanDerWaalsContact C-N 3.33Å
88T93.5Very high94.8Very high73 Ų73103.8 Ų103.845%0.44856%0.555SS.*  trans-79.5-22177.162.60000112.1E90 E91 R137T88-E90 PolarHBondContact OG1-N 2.95Å; T88-E91 WeakPolarHBondContact CA-OE1 3.46Å; T88-E91 PolarHBondContact N-OE1 2.9Å; T88-E91 VanDerWaalsContact OG1-CD 3.31Å; T88-E91 PolarHBondContact OG1-OE1 3.01Å; T88-R137 PolarHBondContact O-NH2 2.91Å
89N93.7Very high95Very high121 Ų12196.7 Ų96.765%0.64752%0.518SS*.SBendtrans6034.7-168.8-56.4-50.4000112.1K87 E91 R133K87-N89 VanDerWaalsContact C-N 3.33Å; N89-E91 WeakPolarHBondContact CA-OE2 3.45Å; N89-E91 PolarHBondContact N-OE1 3.34Å; N89-E91 PolarHBondContact N-OE2 3.1Å; N89-R133 PolarHBondContact O-NH2 3.43Å
90E95.6Very high95.3Very high24 Ų2497.2 Ų97.211%0.11251%0.51CS..  trans-127.85.1177.5-57.3174.6-162.200110.9T88 E92 E93 R122 L124 R137T88-E90 PolarHBondContact OG1-N 2.95Å; E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.32Å; E90-E93 PolarHBondContact O-N 3.4Å; E90-R122 VanDerWaalsContact CD-NH2 3.26Å; E90-R122 IonicContact OE1-NH2 2.79Å; E90-R122 PolarHBondContact OE1-NH2 2.79Å; E90-R122 IonicContact OE2-CZ 3.3Å; E90-R122 IonicContact OE2-NH1 3.1Å; E90-R122 PolarHBondContact OE2-NH1 3.12Å; E90-R122 IonicContact OE2-NH2 3.75Å; E90-R122 PolarHBondContact OE2-NH2 2.84Å; E90-L124 HydrophobicContact CB-CD1 4.27Å; E90-L124 HydrophobicContact CG-CD1 3.94Å; E90-R137 IonicContact OE1-CZ 3.61Å; E90-R137 VanDerWaalsContact OE1-CZ 3.25Å; E90-R137 IonicContact OE1-NE 3.07Å; E90-R137 PolarHBondContact OE1-NE 3.01Å; E90-R137 IonicContact OE1-NH2 3.25Å; E90-R137 PolarHBondContact OE1-NH2 3.29Å
91E95.8Very high95.6Very high84 Ų8487.9 Ų87.939%0.39347%0.47SS..THydrogen-bonded Turntrans-69.4-28.6-174-60.375.9-165.800112.5T88 N89 E93 K127T88-E91 WeakPolarHBondContact CA-OE1 3.46Å; T88-E91 PolarHBondContact N-OE1 2.9Å; T88-E91 VanDerWaalsContact OG1-CD 3.31Å; T88-E91 PolarHBondContact OG1-OE1 3.01Å; N89-E91 WeakPolarHBondContact CA-OE2 3.45Å; N89-E91 PolarHBondContact N-OE1 3.34Å; N89-E91 PolarHBondContact N-OE2 3.1Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 PolarHBondContact O-N 2.71Å; E91-K127 PolarHBondContact O-NZ 3.35Å
92E96.8Very high95.9Very high102 Ų10283 Ų8348%0.47744%0.442SS..THydrogen-bonded Turntrans-90.516.6177.5-61.4-51.5143.100113.4E90 K127E90-E92 VanDerWaalsContact C-N 3.3Å; E90-E92 PolarHBondContact O-N 3.32Å; E92-K127 WeakPolarHBondContact O-CB 3.48Å; E92-K127 VanDerWaalsContact O-CG 3.29Å; E92-K127 WeakPolarHBondContact O-CG 3.39Å; E92-K127 PolarHBondContact O-N 3.45Å
93E98Very high96.2Very high26 Ų2678.4 Ų78.412%0.12141%0.41CS..EExtended strand (participates in β ladder)trans-125.4151.4-178.5-54.7-178.9126.100112.2E90 E91 L124 K125 H126 R133E90-E93 PolarHBondContact O-N 3.4Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 PolarHBondContact O-N 2.71Å; E93-L124 HydrophobicContact CB-CB 3.99Å; E93-L124 HydrophobicContact CG-CB 4.45Å; E93-L124 VanDerWaalsContact OE2-CD1 3.24Å; E93-L124 WeakPolarHBondContact OE2-CD1 3.42Å; E93-K125 CarbonylContact C-O 3.58Å; E93-K125 WeakPolarHBondContact CA-O 3.41Å; E93-H126 HydrophobicContact CG-CB 4.45Å; E93-R133 VanDerWaalsContact CD-NE 3.32Å; E93-R133 VanDerWaalsContact CD-NH2 3.3Å; E93-R133 IonicContact OE1-CZ 3.42Å; E93-R133 IonicContact OE1-NE 3.73Å; E93-R133 PolarHBondContact OE1-NE 2.92Å; E93-R133 IonicContact OE1-NH2 2.7Å; E93-R133 PolarHBondContact OE1-NH2 3.47Å; E93-R133 IonicContact OE2-CZ 2.77Å; E93-R133 VanDerWaalsContact OE2-CZ 3.3Å; E93-R133 IonicContact OE2-NE 3.1Å; E93-R133 PolarHBondContact OE2-NE 3.4Å; E93-R133 VanDerWaalsContact OE2-NE 3.1Å; E93-R133 IonicContact OE2-NH2 3.92Å; E93-R133 PolarHBondContact OE2-NH2 3.14Å
94T97.9Very high96.4Very high55 Ų5573.6 Ų73.634%0.33737%0.369SS..EExtended strand (participates in β ladder)trans-102.3138.9170.654.60000110.1E96 L124 K125 K127T94-E96 PolarHBondContact O-N 3.11Å; T94-E96 PolarHBondContact OG1-OE1 3.13Å; T94-L124 CarbonylContact O-C 3.59Å; T94-L124 WeakPolarHBondContact O-CA 3.31Å; T94-K125 PolarHBondContact N-O 3.12Å; T94-K125 PolarHBondContact O-N 2.7Å; T94-K125 PolarHBondContact OG1-O 2.86Å; T94-K127 HydrophobicContact CG2-CG 4.34Å
95V98.1Very high96.6Very high81 Ų8171.1 Ų71.149%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-82103175-174.90000108.4K98 R122 L124V95-K98 HydrophobicContact CG1-CB 4Å; V95-R122 HydrophobicContact CG1-CG 4.42Å; V95-L124 HydrophobicContact CB-CD2 4.19Å; V95-L124 HydrophobicContact CG1-CD2 4.34Å; V95-L124 HydrophobicContact CG2-CD2 3.67Å
96E98.1Very high96.8Very high72 Ų7265.5 Ų65.534%0.33632%0.321SS..EExtended strand (participates in β ladder)trans-85.3-32-178.6-66.2-6113800112.4T94 L123 K125 Y204T94-E96 PolarHBondContact O-N 3.11Å; T94-E96 PolarHBondContact OG1-OE1 3.13Å; E96-L123 PolarHBondContact N-O 3.36Å; E96-K125 HydrophobicContact CG-CB 3.63Å; E96-K125 HydrophobicContact CG-CD 4.31Å; E96-Y204 HydrophobicContact CB-CD2 4.47Å; E96-Y204 HydrophobicContact CB-CE1 4.08Å; E96-Y204 HydrophobicContact CB-CE2 3.66Å; E96-Y204 VanDerWaalsContact CB-CZ 3.44Å; E96-Y204 WeakPolarHBondContact CB-OH 3.46Å; E96-Y204 HydrophobicContact CG-CE1 3.83Å; E96-Y204 HydrophobicContact CG-CE2 4.34Å; E96-Y204 PolarHBondContact OE2-OH 2.73Å
97F98.5Very high97.1Very high15 Ų1561.9 Ų61.97%0.06630%0.296CS..EExtended strand (participates in β ladder)trans-143.9142.5177.1176.1-89.2000109.2M99 R122 L123 L196 F197 N200F97-M99 HydrophobicContact CD1-CB 4.47Å; F97-M99 HydrophobicContact CE1-CB 3.43Å; F97-M99 VanDerWaalsContact CE1-CB 3.43Å; F97-M99 HydrophobicContact CE2-CB 4.37Å; F97-M99 HydrophobicContact CE2-CE 3.86Å; F97-M99 HydrophobicContact CZ-CB 3.39Å; F97-M99 HydrophobicContact CZ-CE 3.67Å; F97-M99 HydrophobicContact CZ-CG 4.22Å; F97-M99 HydrophobicContact CZ-SD 3.79Å; F97-R122 WeakPolarHBondContact O-CA 2.91Å; F97-L123 HydrophobicContact CB-CB 3.99Å; F97-L123 HydrophobicContact CB-CD1 4Å; F97-L123 HydrophobicContact CB-CG 3.94Å; F97-L123 HydrophobicContact CD1-CG 4.27Å; F97-L123 HydrophobicContact CG-CD1 4.45Å; F97-L123 HydrophobicContact CG-CG 4.45Å; F97-L123 PolarHBondContact O-N 2.85Å; F97-L196 HydrophobicContact CE2-CD2 4.29Å; F97-L196 HydrophobicContact CE2-CG 4.05Å; F97-F197 HydrophobicContact CD1-CD2 4.25Å; F97-F197 HydrophobicContact CE1-CB 4.26Å; F97-F197 AromaticContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CG 4.44Å; F97-F197 HydrophobicContact CZ-CB 3.82Å; F97-F197 HydrophobicContact CZ-CD2 4.07Å; F97-F197 HydrophobicContact CZ-CG 4.47Å; F97-N200 HydrophobicContact CB-CB 4.29Å; F97-N200 HydrophobicContact CD2-CB 3.93Å; F97-N200 HydrophobicContact CG-CB 4.22Å
98K98.4Very high97.2Very high130 Ų13061.7 Ų61.757%0.56530%0.296SS*.EExtended strand (participates in β ladder)trans-145.7123.3175.6178.8-178.9178.1-176.60109.6V95 D120 A121 R122V95-K98 HydrophobicContact CG1-CB 4Å; K98-D120 VanDerWaalsContact CE-CG 3.49Å; K98-D120 WeakPolarHBondContact CE-OD2 3.44Å; K98-D120 HydrophobicContact CG-CB 4.27Å; K98-D120 IonicContact NZ-OD2 3.41Å; K98-D120 PolarHBondContact NZ-OD2 3.45Å; K98-A121 WeakPolarHBondContact CA-O 3.16Å; K98-R122 HydrophobicContact CB-CG 4.2Å; K98-R122 HydrophobicContact CG-CG 4Å
99M98.1Very high97.3Very high25 Ų2562.9 Ų62.912%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-153144.4176.9-168.8171.6-7500113F97 D120 A121 F188 N193 L196F97-M99 HydrophobicContact CD1-CB 4.47Å; F97-M99 HydrophobicContact CE1-CB 3.43Å; F97-M99 VanDerWaalsContact CE1-CB 3.43Å; F97-M99 HydrophobicContact CE2-CB 4.37Å; F97-M99 HydrophobicContact CE2-CE 3.86Å; F97-M99 HydrophobicContact CZ-CB 3.39Å; F97-M99 HydrophobicContact CZ-CE 3.67Å; F97-M99 HydrophobicContact CZ-CG 4.22Å; F97-M99 HydrophobicContact CZ-SD 3.79Å; M99-D120 CarbonylContact O-C 3.59Å; M99-D120 WeakPolarHBondContact O-CA 3.49Å; M99-A121 PolarHBondContact N-O 3.42Å; M99-A121 PolarHBondContact O-N 2.91Å; M99-F188 HydrophobicContact CB-CE1 4.35Å; M99-F188 HydrophobicContact CG-CD1 4.01Å; M99-F188 HydrophobicContact CG-CE1 4.21Å; M99-F188 HydrophobicContact SD-CD1 3.68Å; M99-F188 HydrophobicContact SD-CE1 4Å; M99-N193 HydrophobicContact CE-CB 4.12Å; M99-N193 HydrophobicContact SD-CB 3.4Å; M99-N193 WeakPolarHBondContact SD-CB 3.28Å; M99-L196 HydrophobicContact CE-CB 4.45Å; M99-L196 HydrophobicContact CE-CD2 3.86Å
100R98.4Very high97.4Very high110 Ų11059.5 Ų59.542%0.41530%0.302SS..EExtended strand (participates in β ladder)trans-66.2128.4175.2-176.863.8173.6176.7-0.3111.5T118 D139R100-T118 VanDerWaalsContact NH2-CG2 3.34Å; R100-D139 IonicContact CZ-OD1 2.74Å; R100-D139 IonicContact CZ-OD2 3.35Å; R100-D139 IonicContact NH1-OD1 2.68Å; R100-D139 PolarHBondContact NH1-OD1 3.41Å; R100-D139 IonicContact NH1-OD2 3.96Å; R100-D139 PolarHBondContact NH1-OD2 2.92Å; R100-D139 IonicContact NH2-OD2 3.25Å; R100-D139 PolarHBondContact NH2-OD2 3.2Å
101A98.6Very high97.5Very high6 Ų661.9 Ų61.95%0.0532%0.321CS..EExtended strand (participates in β ladder)trans-148.9167.1179.700000113.2G119 A121 M136 I186 R187 F188A101-G119 PolarHBondContact N-O 3.16Å; A101-G119 PolarHBondContact O-N 3.22Å; A101-G119 VanDerWaalsContact O-N 3.08Å; A101-G119 VanDerWaalsContact O-O 3.11Å; A101-A121 HydrophobicContact CB-CB 4.29Å; A101-M136 HydrophobicContact CB-CE 4.18Å; A101-M136 WeakPolarHBondContact O-CE 3.47Å; A101-I186 HydrophobicContact CB-CD1 3.73Å; A101-I186 HydrophobicContact CB-CG1 3.65Å; A101-R187 WeakPolarHBondContact CA-O 3.26Å; A101-F188 HydrophobicContact CB-CD1 3.92Å; A101-F188 HydrophobicContact CB-CE1 3.69Å; A101-F188 HydrophobicContact CB-CZ 4.31Å
102K98.5Very high97.5Very high53 Ų5362.4 Ų62.423%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-116.3126.9165.5-176.9178.4-76.3-159.70109.2F104 E115 T118 I186 R187K102-F104 HydrophobicContact CB-CE2 4.27Å; K102-F104 HydrophobicContact CD-CE1 4.11Å; K102-F104 HydrophobicContact CD-CE2 3.87Å; K102-F104 HydrophobicContact CD-CZ 3.42Å; K102-F104 VanDerWaalsContact CD-CZ 3.42Å; K102-F104 HydrophobicContact CG-CD2 4.47Å; K102-F104 HydrophobicContact CG-CE2 3.77Å; K102-F104 HydrophobicContact CG-CZ 3.84Å; K102-E115 WeakPolarHBondContact CD-OE1 3.5Å; K102-E115 IonicContact NZ-OE1 2.88Å; K102-E115 PolarHBondContact NZ-OE1 2.89Å; K102-E115 IonicContact NZ-OE2 2.74Å; K102-T118 WeakPolarHBondContact CE-OG1 3.47Å; K102-I186 WeakPolarHBondContact O-CA 3.45Å; K102-R187 PolarHBondContact N-O 2.67Å; K102-R187 PolarHBondContact O-N 2.7Å
103L98.6Very high97.5Very high1 Ų160.8 Ų60.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-104137.9-179.9-173.473.6000110.5R116 G117 M136 C145 A146 W168 F184 A185 I186L103-R116 HydrophobicContact CB-CB 4.5Å; L103-R116 HydrophobicContact CD2-CB 4.24Å; L103-R116 HydrophobicContact CD2-CG 4.15Å; L103-R116 HydrophobicContact CG-CB 4.25Å; L103-R116 WeakPolarHBondContact O-CA 3.4Å; L103-R116 WeakPolarHBondContact O-CB 3.27Å; L103-R116 PolarHBondContact O-N 2.66Å; L103-G117 PolarHBondContact N-O 2.89Å; L103-G117 PolarHBondContact O-N 3.45Å; L103-M136 HydrophobicContact CB-CE 4.11Å; L103-M136 HydrophobicContact CB-SD 3.7Å; L103-M136 HydrophobicContact CD2-SD 4.29Å; L103-M136 HydrophobicContact CG-SD 4.47Å; L103-C145 WeakPolarHBondContact CD2-O 3.29Å; L103-A146 HydrophobicContact CD2-CB 3.72Å; L103-W168 HydrophobicContact CD1-CH2 3.97Å; L103-F184 HydrophobicContact CD1-CB 4.01Å; L103-F184 HydrophobicContact CD1-CD1 4.11Å; L103-F184 HydrophobicContact CD1-CG 4.14Å; L103-F184 HydrophobicContact CD2-CD1 4.24Å; L103-F184 HydrophobicContact CD2-CE1 4.29Å; L103-F184 HydrophobicContact CG-CD1 4.23Å; L103-A185 CarbonylContact C-O 3.49Å; L103-A185 WeakPolarHBondContact CA-O 3.48Å; L103-I186 HydrophobicContact CD1-CB 4.28Å
104F98.1Very high97.5Very high7 Ų763.9 Ų63.93%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-123.2150.4174.9-55.2-100.4000109.7V37 K102 W113 K114 E115 F184 A185 R187V37-F104 HydrophobicContact CG1-CE1 4.41Å; K102-F104 HydrophobicContact CB-CE2 4.27Å; K102-F104 HydrophobicContact CD-CE1 4.11Å; K102-F104 HydrophobicContact CD-CE2 3.87Å; K102-F104 HydrophobicContact CD-CZ 3.42Å; K102-F104 VanDerWaalsContact CD-CZ 3.42Å; K102-F104 HydrophobicContact CG-CD2 4.47Å; K102-F104 HydrophobicContact CG-CE2 3.77Å; K102-F104 HydrophobicContact CG-CZ 3.84Å; F104-W113 HydrophobicContact CB-CE3 3.86Å; F104-K114 CarbonylContact C-O 3.59Å; F104-K114 VanDerWaalsContact CA-O 3.23Å; F104-K114 WeakPolarHBondContact CA-O 3.4Å; F104-E115 HydrophobicContact CD1-CG 4.06Å; F104-E115 HydrophobicContact CE1-CG 3.78Å; F104-F184 WeakPolarHBondContact O-CA 3.24Å; F104-A185 HydrophobicContact CB-CB 4.22Å; F104-A185 PolarHBondContact N-O 3.25Å; F104-A185 PolarHBondContact O-N 3.11Å; F104-R187 HydrophobicContact CE2-CB 4.14Å
105R97.4Very high97.4Very high60 Ų6067.1 Ų67.123%0.22634%0.338CS..EExtended strand (participates in β ladder)trans-114.7137171.8171.7-167.9-88.8158.8-16.5108.2K114 R116 E182R105-K114 PolarHBondContact N-O 3.43Å; R105-K114 PolarHBondContact O-N 3.14Å; R105-R116 HydrophobicContact CB-CB 4.36Å; R105-E182 VanDerWaalsContact CD-OE2 3.24Å; R105-E182 WeakPolarHBondContact CD-OE2 3.3Å; R105-E182 WeakPolarHBondContact CG-OE2 3.41Å; R105-E182 IonicContact CZ-OE1 2.73Å; R105-E182 IonicContact CZ-OE2 2.94Å; R105-E182 IonicContact NE-OE1 2.67Å; R105-E182 PolarHBondContact NE-OE1 2.91Å; R105-E182 IonicContact NE-OE2 3.86Å; R105-E182 PolarHBondContact NE-OE2 2.84Å; R105-E182 IonicContact NH2-OE1 3.52Å; R105-E182 PolarHBondContact NH2-OE1 2.92Å; R105-E182 IonicContact NH2-OE2 2.58Å
106F97.5Very high97.4Very high59 Ų5964 Ų6426%0.25932%0.317SS..EExtended strand (participates in β ladder)trans-80.6119.3171.6-168.5-109.1000110.5K108 W113 T183F106-K108 HydrophobicContact CD1-CG 4.12Å; F106-K108 HydrophobicContact CE1-CG 4.41Å; F106-K108 PolarHBondContact O-N 3.43Å; F106-W113 HydrophobicContact CB-CD2 4.38Å; F106-W113 HydrophobicContact CB-CE3 3.9Å; F106-W113 HydrophobicContact CB-CH2 3.9Å; F106-W113 HydrophobicContact CB-CZ2 4.37Å; F106-W113 HydrophobicContact CB-CZ3 3.65Å; F106-W113 AromaticContact CD2-CD2 3.93Å; F106-W113 HydrophobicContact CD2-CD2 3.93Å; F106-W113 AromaticContact CD2-CE2 3.8Å; F106-W113 HydrophobicContact CD2-CE3 4.3Å; F106-W113 HydrophobicContact CD2-CG 4.32Å; F106-W113 HydrophobicContact CD2-CH2 4.47Å; F106-W113 HydrophobicContact CD2-CZ2 4.1Å; F106-T183 HydrophobicContact CB-CG2 4.2Å; F106-T183 PolarHBondContact N-O 2.88Å
107D96.8Very high97.4Very high44 Ų4461 Ų6124%0.23531%0.305CS..EExtended strand (participates in β ladder)trans-84.1110.3170.4-172.3-34000109.1A109 A110 S111 E112 K114D107-A109 VanDerWaalsContact C-N 3.32Å; D107-A109 PolarHBondContact O-N 3Å; D107-A109 WeakPolarHBondContact OD1-CB 3.43Å; D107-A109 PolarHBondContact OD1-N 3.15Å; D107-A110 HydrophobicContact CB-CB 4.27Å; D107-A110 PolarHBondContact OD1-N 2.91Å; D107-A110 VanDerWaalsContact OD1-N 3.1Å; D107-S111 VanDerWaalsContact O-CA 3.24Å; D107-S111 WeakPolarHBondContact O-CA 3.32Å; D107-S111 PolarHBondContact O-N 3.43Å; D107-E112 HydrophobicContact CB-CG 4.42Å; D107-E112 PolarHBondContact N-O 2.86Å; D107-E112 PolarHBondContact O-N 3.03Å; D107-K114 HydrophobicContact CB-CD 4.07Å; D107-K114 HydrophobicContact CB-CG 4.39Å; D107-K114 WeakPolarHBondContact OD2-CE 3.41Å; D107-K114 IonicContact OD2-NZ 2.75Å; D107-K114 PolarHBondContact OD2-NZ 3.35Å
108K94.8Very high97.4Very high147 Ų14762.3 Ų62.364%0.63932%0.315SS*.THydrogen-bonded Turntrans-68-29.5-178.8-65.5-178.9-178.3175.60113.3F106F106-K108 HydrophobicContact CD1-CG 4.12Å; F106-K108 HydrophobicContact CE1-CG 4.41Å; F106-K108 PolarHBondContact O-N 3.43Å
109A96Very high97.4Very high99 Ų9956.1 Ų56.182%0.81829%0.288SS*.THydrogen-bonded Turntrans-77-41.1-17800000111.1D107D107-A109 VanDerWaalsContact C-N 3.32Å; D107-A109 PolarHBondContact O-N 3Å; D107-A109 WeakPolarHBondContact OD1-CB 3.43Å; D107-A109 PolarHBondContact OD1-N 3.15Å
110A96.5Very high97.4Very high50 Ų5057.5 Ų57.541%0.41330%0.296SS..THydrogen-bonded Turntrans-88.1-9.9176.800000113.7D107 E112D107-A110 HydrophobicContact CB-CB 4.27Å; D107-A110 PolarHBondContact OD1-N 2.91Å; D107-A110 VanDerWaalsContact OD1-N 3.1Å; A110-E112 HydrophobicContact CB-CG 3.76Å; A110-E112 PolarHBondContact O-N 2.8Å
111S95.8Very high97.4Very high73 Ų7352.3 Ų52.351%0.5128%0.276SS..THydrogen-bonded Turntrans54.634.6-174.9-62.30000114.1D107D107-S111 VanDerWaalsContact O-CA 3.24Å; D107-S111 WeakPolarHBondContact O-CA 3.32Å; D107-S111 PolarHBondContact O-N 3.43Å
112E96.6Very high97.4Very high96 Ų9654 Ų5445%0.44928%0.281SS..EExtended strand (participates in β ladder)trans-130.3158.9-174.972-177.6171.200112.6D107 A110 K114D107-E112 HydrophobicContact CB-CG 4.42Å; D107-E112 PolarHBondContact N-O 2.86Å; D107-E112 PolarHBondContact O-N 3.03Å; A110-E112 HydrophobicContact CB-CG 3.76Å; A110-E112 PolarHBondContact O-N 2.8Å; E112-K114 HydrophobicContact CG-CG 4.22Å; E112-K114 WeakPolarHBondContact OE1-CE 3.5Å; E112-K114 IonicContact OE1-NZ 3.83Å
113W96.7Very high97.5Very high68 Ų6851.4 Ų51.426%0.25827%0.27SS..EExtended strand (participates in β ladder)trans-87.1120.4171.6-70.9102.9000110.6F104 F106 V167 T183 A185F104-W113 HydrophobicContact CB-CE3 3.86Å; F106-W113 HydrophobicContact CB-CD2 4.38Å; F106-W113 HydrophobicContact CB-CE3 3.9Å; F106-W113 HydrophobicContact CB-CH2 3.9Å; F106-W113 HydrophobicContact CB-CZ2 4.37Å; F106-W113 HydrophobicContact CB-CZ3 3.65Å; F106-W113 AromaticContact CD2-CD2 3.93Å; F106-W113 HydrophobicContact CD2-CD2 3.93Å; F106-W113 AromaticContact CD2-CE2 3.8Å; F106-W113 HydrophobicContact CD2-CE3 4.3Å; F106-W113 HydrophobicContact CD2-CG 4.32Å; F106-W113 HydrophobicContact CD2-CH2 4.47Å; F106-W113 HydrophobicContact CD2-CZ2 4.1Å; W113-V167 HydrophobicContact CH2-CG1 3.85Å; W113-V167 HydrophobicContact CH2-CG2 4.22Å; W113-V167 HydrophobicContact CZ2-CG1 4.22Å; W113-V167 HydrophobicContact CZ2-CG2 4.17Å; W113-T183 HydrophobicContact CH2-CG2 4.03Å; W113-A185 HydrophobicContact CD2-CB 4.4Å; W113-A185 HydrophobicContact CE3-CB 3.91Å; W113-A185 HydrophobicContact CH2-CB 3.69Å; W113-A185 HydrophobicContact CZ2-CB 4.21Å; W113-A185 HydrophobicContact CZ3-CB 3.52Å
114K97.4Very high97.5Very high90 Ų9051.5 Ų51.539%0.39127%0.27SS..EExtended strand (participates in β ladder)trans-102.3137.9173.5-67-175.9176.7171.50110.6F104 R105 D107 E112 R116F104-K114 CarbonylContact C-O 3.59Å; F104-K114 VanDerWaalsContact CA-O 3.23Å; F104-K114 WeakPolarHBondContact CA-O 3.4Å; R105-K114 PolarHBondContact N-O 3.43Å; R105-K114 PolarHBondContact O-N 3.14Å; D107-K114 HydrophobicContact CB-CD 4.07Å; D107-K114 HydrophobicContact CB-CG 4.39Å; D107-K114 WeakPolarHBondContact OD2-CE 3.41Å; D107-K114 IonicContact OD2-NZ 2.75Å; D107-K114 PolarHBondContact OD2-NZ 3.35Å; E112-K114 HydrophobicContact CG-CG 4.22Å; E112-K114 WeakPolarHBondContact OE1-CE 3.5Å; E112-K114 IonicContact OE1-NZ 3.83Å; K114-R116 PolarHBondContact O-N 2.74Å
115E97.6Very high97.5Very high124 Ų12453.6 Ų53.658%0.57928%0.28SS*.EExtended strand (participates in β ladder)trans-61.8128.9172.2-64.7-157.2154.300110K102 F104K102-E115 WeakPolarHBondContact CD-OE1 3.5Å; K102-E115 IonicContact NZ-OE1 2.88Å; K102-E115 PolarHBondContact NZ-OE1 2.89Å; K102-E115 IonicContact NZ-OE2 2.74Å; F104-E115 HydrophobicContact CD1-CG 4.06Å; F104-E115 HydrophobicContact CE1-CG 3.78Å
116R97.6Very high97.5Very high15 Ų1553 Ų536%0.05728%0.279CS..EExtended strand (participates in β ladder)trans-104.6-38.7179.2-168.765.4-177.5-64.7-5.6112.1L103 R105 K114 R138 C145 S175 E176L103-R116 HydrophobicContact CB-CB 4.5Å; L103-R116 HydrophobicContact CD2-CB 4.24Å; L103-R116 HydrophobicContact CD2-CG 4.15Å; L103-R116 HydrophobicContact CG-CB 4.25Å; L103-R116 WeakPolarHBondContact O-CA 3.4Å; L103-R116 WeakPolarHBondContact O-CB 3.27Å; L103-R116 PolarHBondContact O-N 2.66Å; R105-R116 HydrophobicContact CB-CB 4.36Å; K114-R116 PolarHBondContact O-N 2.74Å; R116-R138 PolarHBondContact O-NE 2.84Å; R116-R138 PolarHBondContact O-NH2 2.78Å; R116-C145 HydrophobicContact CG-CB 4.26Å; R116-S175 PolarHBondContact NH2-OG 2.83Å; R116-E176 IonicContact CZ-OE1 2.7Å; R116-E176 IonicContact NE-OE1 2.67Å; R116-E176 PolarHBondContact NE-OE1 3.25Å; R116-E176 IonicContact NH2-OE1 3.1Å; R116-E176 PolarHBondContact NH2-OE1 3.5Å
117G98Very high97.5Very high9 Ų955.9 Ų55.99%0.09329%0.292CS..EExtended strand (participates in β ladder)trans-179.1154.5178.500000113.7L103L103-G117 PolarHBondContact N-O 2.89Å; L103-G117 PolarHBondContact O-N 3.45Å
118T98.6Very high97.5Very high43 Ų4361.6 Ų61.626%0.26432%0.317SS..EExtended strand (participates in β ladder)trans-120.5132.5168.8-54.40000108R100 K102 R138 D139R100-T118 VanDerWaalsContact NH2-CG2 3.34Å; K102-T118 WeakPolarHBondContact CE-OG1 3.47Å; T118-R138 WeakPolarHBondContact O-CA 3.45Å; T118-D139 PolarHBondContact O-N 3.12Å
119G98.5Very high97.5Very high0 Ų057.8 Ų57.80%031%0.306CS..EExtended strand (participates in β ladder)trans176.3-174.2-165.700000113.6A101 R137A101-G119 PolarHBondContact N-O 3.16Å; A101-G119 PolarHBondContact O-N 3.22Å; A101-G119 VanDerWaalsContact O-N 3.08Å; A101-G119 VanDerWaalsContact O-O 3.11Å; G119-R137 VanDerWaalsContact CA-O 3.28Å; G119-R137 WeakPolarHBondContact CA-O 3.07Å
120D98.4Very high97.5Very high54 Ų5453.8 Ų53.829%0.28927%0.274SS..EExtended strand (participates in β ladder)trans-87.4117.9169.9-67.8-22.8000109.7K98 M99K98-D120 VanDerWaalsContact CE-CG 3.49Å; K98-D120 WeakPolarHBondContact CE-OD2 3.44Å; K98-D120 HydrophobicContact CG-CB 4.27Å; K98-D120 IonicContact NZ-OD2 3.41Å; K98-D120 PolarHBondContact NZ-OD2 3.45Å; M99-D120 CarbonylContact O-C 3.59Å; M99-D120 WeakPolarHBondContact O-CA 3.49Å
121A98.5Very high97.5Very high0 Ų054.2 Ų54.20%027%0.267CS..EExtended strand (participates in β ladder)trans-79.3124.4167.400000108.9K98 M99 A101 M136 I186K98-A121 WeakPolarHBondContact CA-O 3.16Å; M99-A121 PolarHBondContact N-O 3.42Å; M99-A121 PolarHBondContact O-N 2.91Å; A101-A121 HydrophobicContact CB-CB 4.29Å; A121-M136 HydrophobicContact CB-CG 4.38Å; A121-M136 HydrophobicContact CB-SD 4.24Å; A121-I186 HydrophobicContact CB-CD1 3.87Å
122R98.6Very high97.7Very high41 Ų4150.8 Ų50.816%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-123139.2-177.7-65.1177.1-66153.68.1110.9E90 V95 F97 K98 L124 L134 V135E90-R122 VanDerWaalsContact CD-NH2 3.26Å; E90-R122 IonicContact OE1-NH2 2.79Å; E90-R122 PolarHBondContact OE1-NH2 2.79Å; E90-R122 IonicContact OE2-CZ 3.3Å; E90-R122 IonicContact OE2-NH1 3.1Å; E90-R122 PolarHBondContact OE2-NH1 3.12Å; E90-R122 IonicContact OE2-NH2 3.75Å; E90-R122 PolarHBondContact OE2-NH2 2.84Å; V95-R122 HydrophobicContact CG1-CG 4.42Å; F97-R122 WeakPolarHBondContact O-CA 2.91Å; K98-R122 HydrophobicContact CB-CG 4.2Å; K98-R122 HydrophobicContact CG-CG 4Å; R122-L124 HydrophobicContact CB-CD2 3.89Å; R122-L124 HydrophobicContact CB-CG 4.28Å; R122-L134 WeakPolarHBondContact O-CA 3.45Å; R122-V135 PolarHBondContact N-O 3.49Å; R122-V135 PolarHBondContact O-N 2.86Å
123L98.6Very high97.7Very high0 Ų048.6 Ų48.60%023%0.23CC..EExtended strand (participates in β ladder)trans-99.7116.4165-56.2-176.2000107.5E96 F97 T132 R133 L134 L150 N200 Y204E96-L123 PolarHBondContact N-O 3.36Å; F97-L123 HydrophobicContact CB-CB 3.99Å; F97-L123 HydrophobicContact CB-CD1 4Å; F97-L123 HydrophobicContact CB-CG 3.94Å; F97-L123 HydrophobicContact CD1-CG 4.27Å; F97-L123 HydrophobicContact CG-CD1 4.45Å; F97-L123 HydrophobicContact CG-CG 4.45Å; F97-L123 PolarHBondContact O-N 2.85Å; L123-T132 HydrophobicContact CB-CG2 3.97Å; L123-R133 WeakPolarHBondContact CA-O 3.29Å; L123-L134 HydrophobicContact CD2-CB 4.04Å; L123-L134 HydrophobicContact CD2-CD1 4.18Å; L123-L134 HydrophobicContact CD2-CG 4.18Å; L123-L150 HydrophobicContact CD1-CD1 4.36Å; L123-L150 HydrophobicContact CD2-CD1 4.1Å; L123-L150 HydrophobicContact CD2-CD2 4.32Å; L123-N200 HydrophobicContact CD1-CB 3.94Å; L123-Y204 HydrophobicContact CD1-CD2 3.78Å; L123-Y204 HydrophobicContact CD1-CE2 4.46Å
124L98.6Very high97.8Very high2 Ų245.4 Ų45.41%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-110.9122.9-175.1-56.9-174.5000109.1E90 E93 T94 V95 R122 T132 R133 V135E90-L124 HydrophobicContact CB-CD1 4.27Å; E90-L124 HydrophobicContact CG-CD1 3.94Å; E93-L124 HydrophobicContact CB-CB 3.99Å; E93-L124 HydrophobicContact CG-CB 4.45Å; E93-L124 VanDerWaalsContact OE2-CD1 3.24Å; E93-L124 WeakPolarHBondContact OE2-CD1 3.42Å; T94-L124 CarbonylContact O-C 3.59Å; T94-L124 WeakPolarHBondContact O-CA 3.31Å; V95-L124 HydrophobicContact CB-CD2 4.19Å; V95-L124 HydrophobicContact CG1-CD2 4.34Å; V95-L124 HydrophobicContact CG2-CD2 3.67Å; R122-L124 HydrophobicContact CB-CD2 3.89Å; R122-L124 HydrophobicContact CB-CG 4.28Å; L124-T132 CarbonylContact O-C 3.5Å; L124-T132 VanDerWaalsContact O-CA 3.22Å; L124-T132 WeakPolarHBondContact O-CA 3.22Å; L124-R133 HydrophobicContact CB-CG 4.23Å; L124-R133 PolarHBondContact N-O 3.25Å; L124-R133 PolarHBondContact O-N 2.82Å; L124-V135 HydrophobicContact CD1-CB 3.89Å; L124-V135 HydrophobicContact CD1-CG2 3.76Å; L124-V135 HydrophobicContact CG-CB 4.43Å; L124-V135 HydrophobicContact CG-CG2 4.41Å
125K98.4Very high97.9Very high52 Ų5241.2 Ų41.223%0.22620%0.2CC..EExtended strand (participates in β ladder)trans-104.4121.3179.7-177.8171.6-177.6169.30110.4E93 T94 E96 K127 G130 Y204 E207E93-K125 CarbonylContact C-O 3.58Å; E93-K125 WeakPolarHBondContact CA-O 3.41Å; T94-K125 PolarHBondContact N-O 3.12Å; T94-K125 PolarHBondContact O-N 2.7Å; T94-K125 PolarHBondContact OG1-O 2.86Å; E96-K125 HydrophobicContact CG-CB 3.63Å; E96-K125 HydrophobicContact CG-CD 4.31Å; K125-K127 PolarHBondContact O-N 3.1Å; K125-G130 WeakPolarHBondContact CE-O 3.41Å; K125-Y204 HydrophobicContact CD-CE1 4.46Å; K125-E207 IonicContact NZ-OE2 3.48Å; K125-E207 PolarHBondContact NZ-OE2 2.78Å
126H98.1Very high97.9Very high48 Ų4835.3 Ų35.322%0.22217%0.173CC..EExtended strand (participates in β ladder)trans-68.7130.4179.4-169.2-71.8000111.2E93 E128 T129 G130 K131E93-H126 HydrophobicContact CG-CB 4.45Å; H126-E128 IonicContact CE1-OE2 2.71Å; H126-E128 PolarHBondContact ND1-N 3.13Å; H126-E128 VanDerWaalsContact ND1-N 3.12Å; H126-E128 PolarHBondContact O-N 2.81Å; H126-T129 WeakPolarHBondContact CB-OG1 3.48Å; H126-T129 PolarHBondContact ND1-N 3.2Å; H126-T129 VanDerWaalsContact ND1-N 3.2Å; H126-G130 VanDerWaalsContact O-CA 3.22Å; H126-G130 WeakPolarHBondContact O-CA 3.21Å; H126-G130 PolarHBondContact O-N 2.9Å; H126-K131 PolarHBondContact N-O 2.8Å
127K97.4Very high98Very high118 Ų11837.9 Ų37.951%0.51318%0.183SC..THydrogen-bonded Turntrans-61.1-43.8-174.6-69.3167.9-174.9166.40112.8E91 E92 T94 K125E91-K127 PolarHBondContact O-NZ 3.35Å; E92-K127 WeakPolarHBondContact O-CB 3.48Å; E92-K127 VanDerWaalsContact O-CG 3.29Å; E92-K127 WeakPolarHBondContact O-CG 3.39Å; E92-K127 PolarHBondContact O-N 3.45Å; T94-K127 HydrophobicContact CG2-CG 4.34Å; K125-K127 PolarHBondContact O-N 3.1Å
128E96.1Very high98Very high164 Ų16440.1 Ų40.177%0.76619%0.188SC*.THydrogen-bonded Turntrans-82.1-52.2-178.9-53.1-176.3154.200113.7H126H126-E128 IonicContact CE1-OE2 2.71Å; H126-E128 PolarHBondContact ND1-N 3.13Å; H126-E128 VanDerWaalsContact ND1-N 3.12Å; H126-E128 PolarHBondContact O-N 2.81Å
129T95.5Very high97.9Very high67 Ų6741.3 Ų41.341%0.41119%0.193SC..THydrogen-bonded Turntrans-81-17-174.569.80000113.8H126 K131H126-T129 WeakPolarHBondContact CB-OG1 3.48Å; H126-T129 PolarHBondContact ND1-N 3.2Å; H126-T129 VanDerWaalsContact ND1-N 3.2Å; T129-K131 PolarHBondContact O-N 3.49Å; T129-K131 VanDerWaalsContact O-N 3.13Å; T129-K131 PolarHBondContact OG1-N 3.05Å
130G96.2Very high97.8Very high15 Ų1551 Ų5116%0.15524%0.235CC..  trans68.6-0.5-173.500000114.7K125 H126 I211K125-G130 WeakPolarHBondContact CE-O 3.41Å; H126-G130 VanDerWaalsContact O-CA 3.22Å; H126-G130 WeakPolarHBondContact O-CA 3.21Å; H126-G130 PolarHBondContact O-N 2.9Å; G130-I211 VanDerWaalsContact O-CD1 3.29Å; G130-I211 WeakPolarHBondContact O-CD1 3.43Å
131K97.4Very high97.7Very high60 Ų6052.4 Ų52.426%0.26125%0.246SC..  trans-72.8138.2-178.4-65.8-179.4-179.7-179.70110.6H126 T129 L149 N208 I211H126-K131 PolarHBondContact N-O 2.8Å; T129-K131 PolarHBondContact O-N 3.49Å; T129-K131 VanDerWaalsContact O-N 3.13Å; T129-K131 PolarHBondContact OG1-N 3.05Å; K131-L149 HydrophobicContact CB-CD2 4.2Å; K131-N208 WeakPolarHBondContact CA-OD1 3.43Å; K131-I211 HydrophobicContact CG-CG2 4.18Å
132T98.5Very high97.5Very high0 Ų058 Ų580%028%0.275CS..EExtended strand (participates in β ladder)trans-105.5132.6178.3-520000111.3L123 L124 L150 Y204 N208L123-T132 HydrophobicContact CB-CG2 3.97Å; L124-T132 CarbonylContact O-C 3.5Å; L124-T132 VanDerWaalsContact O-CA 3.22Å; L124-T132 WeakPolarHBondContact O-CA 3.22Å; T132-L150 HydrophobicContact CG2-CD1 4.03Å; T132-L150 PolarHBondContact O-N 2.88Å; T132-L150 VanDerWaalsContact O-N 3.1Å; T132-Y204 HydrophobicContact CG2-CD1 4.34Å; T132-Y204 HydrophobicContact CG2-CG 3.97Å; T132-N208 PolarHBondContact N-ND2 2.71Å; T132-N208 PolarHBondContact N-OD1 3.32Å; T132-N208 PolarHBondContact O-ND2 3.3Å
133R98.3Very high97.4Very high50 Ų5062.7 Ų62.719%0.18930%0.297CS..EExtended strand (participates in β ladder)trans-119.7155.1172.560.9172.2179.4179.2-0.8111.7N89 E93 L123 L124 V135 H148 L149N89-R133 PolarHBondContact O-NH2 3.43Å; E93-R133 VanDerWaalsContact CD-NE 3.32Å; E93-R133 VanDerWaalsContact CD-NH2 3.3Å; E93-R133 IonicContact OE1-CZ 3.42Å; E93-R133 IonicContact OE1-NE 3.73Å; E93-R133 PolarHBondContact OE1-NE 2.92Å; E93-R133 IonicContact OE1-NH2 2.7Å; E93-R133 PolarHBondContact OE1-NH2 3.47Å; E93-R133 IonicContact OE2-CZ 2.77Å; E93-R133 VanDerWaalsContact OE2-CZ 3.3Å; E93-R133 IonicContact OE2-NE 3.1Å; E93-R133 PolarHBondContact OE2-NE 3.4Å; E93-R133 VanDerWaalsContact OE2-NE 3.1Å; E93-R133 IonicContact OE2-NH2 3.92Å; E93-R133 PolarHBondContact OE2-NH2 3.14Å; L123-R133 WeakPolarHBondContact CA-O 3.29Å; L124-R133 HydrophobicContact CB-CG 4.23Å; L124-R133 PolarHBondContact N-O 3.25Å; L124-R133 PolarHBondContact O-N 2.82Å; R133-V135 HydrophobicContact CG-CG2 4.02Å; R133-H148 CarbonylContact C-O 3.51Å; R133-H148 WeakPolarHBondContact CA-O 3.46Å; R133-H148 VanDerWaalsContact CB-O 3.3Å; R133-H148 WeakPolarHBondContact CB-O 3.43Å; R133-L149 HydrophobicContact CB-CD2 4.15Å
134L98.6Very high97.4Very high1 Ų164.3 Ų64.31%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-91.1125.7168.1-173.8150.8000108.8R122 L123 M136 A146 N147 H148 L150 W168 F197 F201R122-L134 WeakPolarHBondContact O-CA 3.45Å; L123-L134 HydrophobicContact CD2-CB 4.04Å; L123-L134 HydrophobicContact CD2-CD1 4.18Å; L123-L134 HydrophobicContact CD2-CG 4.18Å; L134-M136 HydrophobicContact CD2-CB 4.46Å; L134-A146 HydrophobicContact CD2-CB 3.55Å; L134-N147 VanDerWaalsContact O-CA 3.29Å; L134-N147 WeakPolarHBondContact O-CA 3.39Å; L134-H148 PolarHBondContact N-O 2.74Å; L134-H148 PolarHBondContact O-N 3.47Å; L134-L150 HydrophobicContact CB-CD2 4.02Å; L134-W168 HydrophobicContact CD1-CZ2 4.23Å; L134-F197 HydrophobicContact CD1-CE2 3.99Å; L134-F197 HydrophobicContact CD1-CZ 3.81Å; L134-F201 HydrophobicContact CD1-CD2 4.49Å; L134-F201 HydrophobicContact CD1-CE2 4.29Å
135V98.4Very high97.3Very high2 Ų264.2 Ų64.21%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-127128.1172.5178.80000109.4R122 L124 R133 A146R122-V135 PolarHBondContact N-O 3.49Å; R122-V135 PolarHBondContact O-N 2.86Å; L124-V135 HydrophobicContact CD1-CB 3.89Å; L124-V135 HydrophobicContact CD1-CG2 3.76Å; L124-V135 HydrophobicContact CG-CB 4.43Å; L124-V135 HydrophobicContact CG-CG2 4.41Å; R133-V135 HydrophobicContact CG-CG2 4.02Å; V135-A146 WeakPolarHBondContact CA-O 3.15Å
136M98.6Very high97.3Very high1 Ų161.7 Ų61.71%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-131.3131.2175.1-169.1178.1173.700110.2A101 L103 A121 L134 C145 A146A101-M136 HydrophobicContact CB-CE 4.18Å; A101-M136 WeakPolarHBondContact O-CE 3.47Å; L103-M136 HydrophobicContact CB-CE 4.11Å; L103-M136 HydrophobicContact CB-SD 3.7Å; L103-M136 HydrophobicContact CD2-SD 4.29Å; L103-M136 HydrophobicContact CG-SD 4.47Å; A121-M136 HydrophobicContact CB-CG 4.38Å; A121-M136 HydrophobicContact CB-SD 4.24Å; L134-M136 HydrophobicContact CD2-CB 4.46Å; M136-C145 PolarHBondContact O-N 2.86Å; M136-C145 PolarHBondContact O-SG 2.86Å; M136-A146 HydrophobicContact CB-CB 4.17Å; M136-A146 PolarHBondContact N-O 3.27Å; M136-A146 PolarHBondContact O-N 3.49Å
137R98.2Very high97.4Very high69 Ų6960.9 Ų60.926%0.2629%0.292SS..EExtended strand (participates in β ladder)trans-117.4140.5179.3-67.6177.3179.9-87.62.1110.1T88 E90 G119 L142 K143 V144T88-R137 PolarHBondContact O-NH2 2.91Å; E90-R137 IonicContact OE1-CZ 3.61Å; E90-R137 VanDerWaalsContact OE1-CZ 3.25Å; E90-R137 IonicContact OE1-NE 3.07Å; E90-R137 PolarHBondContact OE1-NE 3.01Å; E90-R137 IonicContact OE1-NH2 3.25Å; E90-R137 PolarHBondContact OE1-NH2 3.29Å; G119-R137 VanDerWaalsContact CA-O 3.28Å; G119-R137 WeakPolarHBondContact CA-O 3.07Å; R137-L142 PolarHBondContact NH1-O 2.9Å; R137-L142 VanDerWaalsContact NH1-O 3.14Å; R137-K143 WeakPolarHBondContact CA-O 3.4Å; R137-V144 HydrophobicContact CG-CG2 4.29Å
138R98.1Very high97.4Very high55 Ų5555.5 Ų55.521%0.20827%0.269CS..EExtended strand (participates in β ladder)trans-70142.9176.5-63-178.9-17389.7-5.2110.6R116 T118 T141 L142 K143 V144 C145R116-R138 PolarHBondContact O-NE 2.84Å; R116-R138 PolarHBondContact O-NH2 2.78Å; T118-R138 WeakPolarHBondContact O-CA 3.45Å; R138-T141 WeakPolarHBondContact CB-OG1 3.22Å; R138-L142 VanDerWaalsContact O-CA 3.3Å; R138-L142 WeakPolarHBondContact O-CA 3.34Å; R138-L142 PolarHBondContact O-N 3.41Å; R138-K143 PolarHBondContact N-O 2.91Å; R138-V144 PolarHBondContact NH1-O 3.38Å; R138-C145 HydrophobicContact CG-CB 4.01Å
139D97.3Very high97.5Very high68 Ų6851.1 Ų51.136%0.36425%0.25SS..THydrogen-bonded Turntrans-58.7151.6171.2-66.7-18.2000112.5R100 T118 T141R100-D139 IonicContact CZ-OD1 2.74Å; R100-D139 IonicContact CZ-OD2 3.35Å; R100-D139 IonicContact NH1-OD1 2.68Å; R100-D139 PolarHBondContact NH1-OD1 3.41Å; R100-D139 IonicContact NH1-OD2 3.96Å; R100-D139 PolarHBondContact NH1-OD2 2.92Å; R100-D139 IonicContact NH2-OD2 3.25Å; R100-D139 PolarHBondContact NH2-OD2 3.2Å; T118-D139 PolarHBondContact O-N 3.12Å; D139-T141 PolarHBondContact O-N 3.34Å
140K95.8Very high97.6Very high203 Ų20347.9 Ų47.988%0.88323%0.231SC*.THydrogen-bonded Turntrans64.3-48.4176.4-50.9-60-176.9176.70114.2
141T96Very high97.6Very high84 Ų8449.8 Ų49.852%0.51524%0.236SC..THydrogen-bonded Turntrans-82.6-21.1179.9650000113.6R138 D139 K143R138-T141 WeakPolarHBondContact CB-OG1 3.22Å; D139-T141 PolarHBondContact O-N 3.34Å; T141-K143 PolarHBondContact O-N 2.87Å
142L95.1Very high97.5Very high118 Ų11849.5 Ų49.562%0.61824%0.24SC*.  trans56.99.9-178.7-54.2177.8000115R137 R138R137-L142 PolarHBondContact NH1-O 2.9Å; R137-L142 VanDerWaalsContact NH1-O 3.14Å; R138-L142 VanDerWaalsContact O-CA 3.3Å; R138-L142 WeakPolarHBondContact O-CA 3.34Å; R138-L142 PolarHBondContact O-N 3.41Å
143K97.3Very high97.3Very high140 Ų14055.6 Ų55.661%0.60927%0.269SS*.  trans-65133.9176-71.5-174.8176.6-174.60110R137 R138 T141R137-K143 WeakPolarHBondContact CA-O 3.4Å; R138-K143 PolarHBondContact N-O 2.91Å; T141-K143 PolarHBondContact O-N 2.87Å
144V97.5Very high97.2Very high33 Ų3353.8 Ų53.820%0.226%0.262CS..EExtended strand (participates in β ladder)trans-64.2137.5173.8-175.20000109.1R137 R138 A146 N147R137-V144 HydrophobicContact CG-CG2 4.29Å; R138-V144 PolarHBondContact NH1-O 3.38Å; V144-A146 WeakPolarHBondContact CG1-O 3.48Å; V144-N147 HydrophobicContact CG1-CB 3.76Å
145C97.9Very high97.1Very high0 Ų061 Ų610%029%0.294CS..EExtended strand (participates in β ladder)trans-127.8-13.2178.864.20000113.7L103 R116 M136 R138L103-C145 WeakPolarHBondContact CD2-O 3.29Å; R116-C145 HydrophobicContact CG-CB 4.26Å; M136-C145 PolarHBondContact O-N 2.86Å; M136-C145 PolarHBondContact O-SG 2.86Å; R138-C145 HydrophobicContact CG-CB 4.01Å
146A98.4Very high97.1Very high0 Ų061.2 Ų61.20%030%0.295CS..EExtended strand (participates in β ladder)trans-147.3137.8162.400000108.6L103 L134 V135 M136 V144 D173L103-A146 HydrophobicContact CD2-CB 3.72Å; L134-A146 HydrophobicContact CD2-CB 3.55Å; V135-A146 WeakPolarHBondContact CA-O 3.15Å; M136-A146 HydrophobicContact CB-CB 4.17Å; M136-A146 PolarHBondContact N-O 3.27Å; M136-A146 PolarHBondContact O-N 3.49Å; V144-A146 WeakPolarHBondContact CG1-O 3.48Å; A146-D173 WeakPolarHBondContact CA-OD1 3.49Å
147N98.4Very high97Very high31 Ų3163.8 Ų63.817%0.16631%0.311CS..EExtended strand (participates in β ladder)trans-155.598.7173.6-176.85.6000108.6L134 V144 D173 V174L134-N147 VanDerWaalsContact O-CA 3.29Å; L134-N147 WeakPolarHBondContact O-CA 3.39Å; V144-N147 HydrophobicContact CG1-CB 3.76Å; N147-D173 PolarHBondContact N-OD1 3.41Å; N147-V174 HydrophobicContact CB-CG2 4Å; N147-V174 VanDerWaalsContact O-CG2 3.29Å; N147-V174 WeakPolarHBondContact O-CG2 3.11Å; N147-V174 PolarHBondContact O-N 3.25Å
148H98.4Very high96.9Very high4 Ų464.9 Ų64.92%0.01933%0.327CS..EExtended strand (participates in β ladder)trans-152.1152.7178.664.281.7000111.2R133 L134 W168 V170 D173R133-H148 CarbonylContact C-O 3.51Å; R133-H148 WeakPolarHBondContact CA-O 3.46Å; R133-H148 VanDerWaalsContact CB-O 3.3Å; R133-H148 WeakPolarHBondContact CB-O 3.43Å; L134-H148 PolarHBondContact N-O 2.74Å; L134-H148 PolarHBondContact O-N 3.47Å; H148-W168 AromaticContact CE1-NE1 3.5Å; H148-W168 PolarHBondContact CE1-NE1 2.86Å; H148-W168 AromaticContact NE2-CE2 3.98Å; H148-W168 AromaticContact NE2-CZ2 3.86Å; H148-W168 AromaticContact NE2-NE1 3.45Å; H148-W168 PolarHBondContact NE2-NE1 3.22Å; H148-V170 HydrophobicContact CB-CG1 3.62Å; H148-D173 HydrophobicContact CB-CB 4.44Å; H148-D173 IonicContact CD2-OD1 2.64Å
149L97.5Very high96.5Very high72 Ų7263.6 Ų63.638%0.37732%0.324SS..EExtended strand (participates in β ladder)trans-67.1149.8171.7-73.1166.7000110.6K131 R133 M151 M154K131-L149 HydrophobicContact CB-CD2 4.2Å; R133-L149 HydrophobicContact CB-CD2 4.15Å; L149-M151 HydrophobicContact CB-CG 4.43Å; L149-M151 HydrophobicContact CB-SD 4.18Å; L149-M151 PolarHBondContact O-N 3.5Å; L149-M154 WeakPolarHBondContact O-CE 3.27Å
150L97.8Very high96.1Very high0 Ų065.5 Ų65.50%034%0.338CS..  trans-78.8102168.3-57.4-171.5000108.7L123 T132 L134 F201 Q205 N208L123-L150 HydrophobicContact CD1-CD1 4.36Å; L123-L150 HydrophobicContact CD2-CD1 4.1Å; L123-L150 HydrophobicContact CD2-CD2 4.32Å; T132-L150 HydrophobicContact CG2-CD1 4.03Å; T132-L150 PolarHBondContact O-N 2.88Å; T132-L150 VanDerWaalsContact O-N 3.1Å; L134-L150 HydrophobicContact CB-CD2 4.02Å; L150-F201 HydrophobicContact CD2-CD2 3.83Å; L150-F201 HydrophobicContact CD2-CE1 4.44Å; L150-F201 HydrophobicContact CD2-CE2 3.42Å; L150-F201 VanDerWaalsContact CD2-CE2 3.42Å; L150-F201 HydrophobicContact CD2-CZ 3.76Å; L150-Q205 HydrophobicContact CB-CB 4.49Å; L150-N208 WeakPolarHBondContact O-CB 3.47Å; L150-N208 PolarHBondContact O-ND2 3.45Å
151M96.3Very high95.8Very high55 Ų5560 Ų6027%0.27134%0.338SS..  trans-93.3144.3-175.9-64.7-66.2-66.400111.7L149 E153 M154 Q205 L212L149-M151 HydrophobicContact CB-CG 4.43Å; L149-M151 HydrophobicContact CB-SD 4.18Å; L149-M151 PolarHBondContact O-N 3.5Å; M151-E153 VanDerWaalsContact CB-CD 3.41Å; M151-E153 HydrophobicContact CB-CG 4.37Å; M151-E153 WeakPolarHBondContact CB-OE1 3.22Å; M151-E153 WeakPolarHBondContact CB-OE2 3.36Å; M151-E153 WeakPolarHBondContact CE-OE1 3.21Å; M151-E153 PolarHBondContact O-N 2.85Å; M151-E153 VanDerWaalsContact O-N 3.13Å; M151-M154 HydrophobicContact CB-CE 3.88Å; M151-M154 HydrophobicContact CB-CG 4.12Å; M151-M154 HydrophobicContact CB-SD 4.28Å; M151-M154 HydrophobicContact CG-CE 3.91Å; M151-M154 PolarHBondContact N-SD 2.88Å; M151-M154 WeakPolarHBondContact O-CB 3.47Å; M151-M154 WeakPolarHBondContact O-CG 3.23Å; M151-M154 PolarHBondContact O-N 3Å; M151-Q205 WeakPolarHBondContact O-CG 3.24Å; M151-Q205 PolarHBondContact O-NE2 2.91Å; M151-Q205 VanDerWaalsContact O-NE2 3.11Å; M151-L212 HydrophobicContact CE-CD1 4.28Å; M151-L212 HydrophobicContact SD-CD1 4.19Å
152P95Very high95.7Very high53 Ų5356.8 Ų56.834%0.34432%0.32SS..THydrogen-bonded Turntrans-59-26.1-176-25.536.2000114.9M154 Q205 A209 L212P152-M154 VanDerWaalsContact C-N 3.35Å; P152-Q205 VanDerWaalsContact C-NE2 3.29Å; P152-Q205 PolarHBondContact O-NE2 3.14Å; P152-A209 HydrophobicContact CB-CB 3.87Å; P152-A209 HydrophobicContact CG-CB 3.56Å; P152-L212 HydrophobicContact CG-CD1 3.93Å
153E94.3Very high95.6Very high128 Ų12856.5 Ų56.560%0.59832%0.319SS*.THydrogen-bonded Turntrans-79.8-11.4178.865-85.3-166.900114.4M151M151-E153 VanDerWaalsContact CB-CD 3.41Å; M151-E153 HydrophobicContact CB-CG 4.37Å; M151-E153 WeakPolarHBondContact CB-OE1 3.22Å; M151-E153 WeakPolarHBondContact CB-OE2 3.36Å; M151-E153 WeakPolarHBondContact CE-OE1 3.21Å; M151-E153 PolarHBondContact O-N 2.85Å; M151-E153 VanDerWaalsContact O-N 3.13Å
154M96.9Very high95.6Very high12 Ų1253.7 Ų53.76%0.05930%0.304CS..  trans-67.6142.2178.7-65.5180177.700110.6L149 M151 P152 V170 F201 Q205L149-M154 WeakPolarHBondContact O-CE 3.27Å; M151-M154 HydrophobicContact CB-CE 3.88Å; M151-M154 HydrophobicContact CB-CG 4.12Å; M151-M154 HydrophobicContact CB-SD 4.28Å; M151-M154 HydrophobicContact CG-CE 3.91Å; M151-M154 PolarHBondContact N-SD 2.88Å; M151-M154 WeakPolarHBondContact O-CB 3.47Å; M151-M154 WeakPolarHBondContact O-CG 3.23Å; M151-M154 PolarHBondContact O-N 3Å; P152-M154 VanDerWaalsContact C-N 3.35Å; M154-V170 HydrophobicContact CE-CB 4.26Å; M154-V170 HydrophobicContact CE-CG1 3.91Å; M154-V170 HydrophobicContact CE-CG2 4.01Å; M154-F201 HydrophobicContact CB-CE1 4.19Å; M154-F201 HydrophobicContact CB-CZ 4.25Å; M154-F201 HydrophobicContact SD-CZ 4.03Å; M154-Q205 PolarHBondContact O-NE2 2.98Å
155K96.4Very high95.6Very high152 Ų15252.3 Ų52.366%0.66130%0.296SS*.  trans-134.9118.4176.4-173.4177.5-179.6179.80110.2T157 W168K155-T157 HydrophobicContact CD-CG2 4.4Å; K155-T157 HydrophobicContact CG-CG2 4.23Å; K155-T157 PolarHBondContact O-N 2.82Å; K155-W168 WeakPolarHBondContact O-CB 3.3Å
156L97.4Very high95.7Very high7 Ų753.3 Ų53.34%0.03730%0.3CS..  trans-72.8117.4170.5-64.5-177.9000109.1W166 W168 F197 K198 F201L156-W166 HydrophobicContact CB-CB 4.26Å; L156-W166 HydrophobicContact CB-CD2 4.38Å; L156-W166 HydrophobicContact CB-CE3 4.27Å; L156-W166 HydrophobicContact CB-CG 4.37Å; L156-W166 HydrophobicContact CD1-CG 4.44Å; L156-W166 HydrophobicContact CD2-CB 4.02Å; L156-W168 HydrophobicContact CD2-CB 4.03Å; L156-W168 HydrophobicContact CD2-CD2 3.86Å; L156-W168 HydrophobicContact CD2-CE3 3.64Å; L156-W168 HydrophobicContact CD2-CG 4.05Å; L156-W168 HydrophobicContact CD2-CZ3 4.44Å; L156-F197 HydrophobicContact CD1-CD1 4.27Å; L156-F197 HydrophobicContact CD1-CE1 4.01Å; L156-F197 HydrophobicContact CD2-CE1 4.29Å; L156-K198 HydrophobicContact CD1-CB 3.98Å; L156-K198 HydrophobicContact CD1-CG 3.94Å; L156-F201 HydrophobicContact CD1-CB 3.78Å; L156-F201 HydrophobicContact CD1-CD1 3.82Å; L156-F201 HydrophobicContact CD1-CD2 4.28Å; L156-F201 HydrophobicContact CD1-CE1 4.48Å; L156-F201 HydrophobicContact CD1-CG 3.71Å; L156-F201 HydrophobicContact CD2-CD1 4.4Å; L156-F201 HydrophobicContact CD2-CD2 4.41Å; L156-F201 HydrophobicContact CD2-CE1 4.3Å; L156-F201 HydrophobicContact CD2-CE2 4.28Å; L156-F201 HydrophobicContact CD2-CG 4.47Å; L156-F201 HydrophobicContact CD2-CZ 4.23Å; L156-F201 HydrophobicContact CG-CD1 3.93Å; L156-F201 HydrophobicContact CG-CE1 4.13Å; L156-F201 HydrophobicContact CG-CG 4.22Å
157T97Very high95.6Very high56 Ų5654.3 Ų54.334%0.34431%0.306SS..EExtended strand (participates in β ladder)trans-112.6138.5177.455.60000109.9K155 W166 V167K155-T157 HydrophobicContact CD-CG2 4.4Å; K155-T157 HydrophobicContact CG-CG2 4.23Å; K155-T157 PolarHBondContact O-N 2.82Å; T157-W166 CarbonylContact O-C 3.56Å; T157-W166 WeakPolarHBondContact O-CA 3.33Å; T157-V167 PolarHBondContact N-O 2.82Å; T157-V167 PolarHBondContact O-N 2.95Å; T157-V167 PolarHBondContact OG1-O 2.88Å
158P96.2Very high95.6Very high92 Ų9253 Ų5360%0.59730%0.298SS*.EExtended strand (participates in β ladder)trans-65.7140.7178.827.4-32.9000110.1W166P158-W166 HydrophobicContact CB-CE3 4.33Å; P158-W166 HydrophobicContact CB-CZ3 3.84Å; P158-W166 HydrophobicContact CG-CZ3 4.42Å
159N90Very high95.6Very high27 Ų2757 Ų5714%0.14432%0.323CS..PPolyproline II helixtrans-79.4139.4174.3-165.210.5000110.7G161 S162 S165 V167N159-G161 PolarHBondContact O-N 2.98Å; N159-S162 PolarHBondContact O-N 2.8Å; N159-S162 VanDerWaalsContact O-N 3.12Å; N159-S165 PolarHBondContact N-O 2.93Å; N159-V167 HydrophobicContact CB-CG2 4.02Å
160V89.2Confident95.6Very high109 Ų10953.7 Ų53.766%0.66131%0.307SS*.THydrogen-bonded Turntrans-62.4124.2179.1-178.30000109.2
161G88.8Confident95.5Very high86 Ų8657.3 Ų57.389%0.88734%0.336SS*.THydrogen-bonded Turntrans81.28.6-18000000115.4N159N159-G161 PolarHBondContact O-N 2.98Å
162S93.3Very high95.6Very high18 Ų1857.1 Ų57.113%0.12634%0.343CS..  trans-132.6127.9172.9-168.50000112.3N159 R164 S165N159-S162 PolarHBondContact O-N 2.8Å; N159-S162 VanDerWaalsContact O-N 3.12Å; S162-R164 VanDerWaalsContact C-N 3.34Å; S162-R164 WeakPolarHBondContact OG-CG 3.26Å; S162-R164 PolarHBondContact OG-N 3.46Å; S162-S165 WeakPolarHBondContact CB-OG 3.49Å; S162-S165 WeakPolarHBondContact OG-CB 3.18Å; S162-S165 PolarHBondContact OG-OG 2.76Å
163D94.7Very high95.7Very high112 Ų11254.6 Ų54.660%0.59933%0.327SS*.SBendtrans-88.3-3.9171.867-24.1000113.3S191D163-S191 WeakPolarHBondContact O-CB 2.79Å
164R96.9Very high95.9Very high80 Ų8051 Ų5130%0.30231%0.314SS..SBendtrans-124.519.7-172.861.5-177.1173.2168.5-4.8113.1S162 R187 F188 A189 A194S162-R164 VanDerWaalsContact C-N 3.34Å; S162-R164 WeakPolarHBondContact OG-CG 3.26Å; S162-R164 PolarHBondContact OG-N 3.46Å; R164-R187 HydrophobicContact CG-CG 4.25Å; R164-R187 WeakPolarHBondContact O-CA 3.42Å; R164-F188 WeakPolarHBondContact CD-O 3.49Å; R164-F188 PolarHBondContact O-N 2.84Å; R164-A189 WeakPolarHBondContact CD-O 3.49Å; R164-A189 PolarHBondContact NH1-O 2.98Å; R164-A194 HydrophobicContact CB-CB 4.41Å
165S97.6Very high95.8Very high4 Ų451.2 Ų51.23%0.02832%0.316CS..EExtended strand (participates in β ladder)trans-138.6141.3-177.4-47.10000113.1N159 S162 I186 R187N159-S165 PolarHBondContact N-O 2.93Å; S162-S165 WeakPolarHBondContact CB-OG 3.49Å; S162-S165 WeakPolarHBondContact OG-CB 3.18Å; S162-S165 PolarHBondContact OG-OG 2.76Å; S165-I186 CarbonylContact C-O 3.58Å; S165-I186 WeakPolarHBondContact CA-O 3.37Å; S165-I186 WeakPolarHBondContact CB-O 3.42Å; S165-R187 WeakPolarHBondContact OG-CB 3.29Å; S165-R187 WeakPolarHBondContact OG-CG 3.34Å
166W98.4Very high95.7Very high22 Ų2249.5 Ų49.58%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-122.4145.7175.3-58.9110.3000111.1L156 T157 P158 A185 I186 A194 F197 K198L156-W166 HydrophobicContact CB-CB 4.26Å; L156-W166 HydrophobicContact CB-CD2 4.38Å; L156-W166 HydrophobicContact CB-CE3 4.27Å; L156-W166 HydrophobicContact CB-CG 4.37Å; L156-W166 HydrophobicContact CD1-CG 4.44Å; L156-W166 HydrophobicContact CD2-CB 4.02Å; T157-W166 CarbonylContact O-C 3.56Å; T157-W166 WeakPolarHBondContact O-CA 3.33Å; P158-W166 HydrophobicContact CB-CE3 4.33Å; P158-W166 HydrophobicContact CB-CZ3 3.84Å; P158-W166 HydrophobicContact CG-CZ3 4.42Å; W166-A185 CarbonylContact O-C 3.54Å; W166-A185 VanDerWaalsContact O-CA 3.27Å; W166-A185 WeakPolarHBondContact O-CA 3.45Å; W166-I186 HydrophobicContact CB-CG2 4.23Å; W166-I186 PolarHBondContact N-O 2.79Å; W166-I186 PolarHBondContact O-N 2.99Å; W166-A194 PolarHBondContact NE1-O 2.69Å; W166-F197 AromaticContact CD1-CD1 3.98Å; W166-K198 HydrophobicContact CD2-CD 4.3Å; W166-K198 HydrophobicContact CE3-CD 4.33Å; W166-K198 HydrophobicContact CH2-CD 3.52Å; W166-K198 HydrophobicContact CZ2-CB 4.06Å; W166-K198 HydrophobicContact CZ2-CD 3.41Å; W166-K198 VanDerWaalsContact CZ2-CD 3.41Å; W166-K198 HydrophobicContact CZ2-CG 4.35Å; W166-K198 HydrophobicContact CZ3-CD 3.98Å
167V98Very high95.5Very high20 Ų2052 Ų5212%0.12134%0.339CS..EExtended strand (participates in β ladder)trans-118.5135.2176.6178.90000109.6W113 T157 N159 T183 F184 A185W113-V167 HydrophobicContact CH2-CG1 3.85Å; W113-V167 HydrophobicContact CH2-CG2 4.22Å; W113-V167 HydrophobicContact CZ2-CG1 4.22Å; W113-V167 HydrophobicContact CZ2-CG2 4.17Å; T157-V167 PolarHBondContact N-O 2.82Å; T157-V167 PolarHBondContact O-N 2.95Å; T157-V167 PolarHBondContact OG1-O 2.88Å; N159-V167 HydrophobicContact CB-CG2 4.02Å; V167-T183 HydrophobicContact CG1-CG2 4.12Å; V167-F184 CarbonylContact C-O 3.54Å; V167-F184 VanDerWaalsContact CA-O 3.23Å; V167-F184 WeakPolarHBondContact CA-O 3.47Å; V167-F184 WeakPolarHBondContact CG1-O 3.46Å; V167-A185 HydrophobicContact CG2-CB 3.88Å
168W98.2Very high95.4Very high3 Ų356.8 Ų56.81%0.01136%0.357CS..EExtended strand (participates in β ladder)trans-149159.7172.270.9103.9000111.9L103 L134 H148 K155 L156 F184 I186L103-W168 HydrophobicContact CD1-CH2 3.97Å; L134-W168 HydrophobicContact CD1-CZ2 4.23Å; H148-W168 AromaticContact CE1-NE1 3.5Å; H148-W168 PolarHBondContact CE1-NE1 2.86Å; H148-W168 AromaticContact NE2-CE2 3.98Å; H148-W168 AromaticContact NE2-CZ2 3.86Å; H148-W168 AromaticContact NE2-NE1 3.45Å; H148-W168 PolarHBondContact NE2-NE1 3.22Å; K155-W168 WeakPolarHBondContact O-CB 3.3Å; L156-W168 HydrophobicContact CD2-CB 4.03Å; L156-W168 HydrophobicContact CD2-CD2 3.86Å; L156-W168 HydrophobicContact CD2-CE3 3.64Å; L156-W168 HydrophobicContact CD2-CG 4.05Å; L156-W168 HydrophobicContact CD2-CZ3 4.44Å; W168-F184 HydrophobicContact CD2-CB 4.18Å; W168-F184 HydrophobicContact CE3-CB 4.23Å; W168-F184 HydrophobicContact CH2-CB 3.8Å; W168-F184 HydrophobicContact CZ2-CB 3.75Å; W168-F184 AromaticContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CG 4.23Å; W168-F184 HydrophobicContact CZ3-CB 4.03Å; W168-F184 PolarHBondContact N-O 3.21Å; W168-F184 PolarHBondContact O-N 2.92Å; W168-I186 HydrophobicContact CE3-CG2 4.48Å; W168-I186 HydrophobicContact CH2-CB 3.8Å; W168-I186 HydrophobicContact CH2-CD1 4.48Å; W168-I186 HydrophobicContact CH2-CG2 3.91Å; W168-I186 HydrophobicContact CZ3-CB 3.65Å; W168-I186 HydrophobicContact CZ3-CG2 3.42Å; W168-I186 VanDerWaalsContact CZ3-CG2 3.42Å
169T97.7Very high95.4Very high88 Ų8856.9 Ų56.954%0.5436%0.358SS..EExtended strand (participates in β ladder)trans-100.8141.6174.1560000110.2E182 T183T169-E182 CarbonylContact C-O 3.53Å; T169-E182 WeakPolarHBondContact CA-O 3.43Å; T169-T183 HydrophobicContact CG2-CG2 4.14Å
170V97.7Very high95.7Very high4 Ų457.9 Ų57.92%0.02437%0.365CS..EExtended strand (participates in β ladder)trans-124127.5178.3179.40000107.7H148 M154 D173 A181 E182 F184H148-V170 HydrophobicContact CB-CG1 3.62Å; M154-V170 HydrophobicContact CE-CB 4.26Å; M154-V170 HydrophobicContact CE-CG1 3.91Å; M154-V170 HydrophobicContact CE-CG2 4.01Å; V170-D173 HydrophobicContact CG1-CB 4.01Å; V170-A181 CarbonylContact O-C 3.57Å; V170-A181 VanDerWaalsContact O-CA 3.26Å; V170-A181 WeakPolarHBondContact O-CA 3.47Å; V170-E182 PolarHBondContact N-O 2.91Å; V170-E182 PolarHBondContact O-N 2.68Å; V170-F184 HydrophobicContact CB-CD2 4.38Å; V170-F184 HydrophobicContact CB-CE2 4.23Å; V170-F184 HydrophobicContact CG2-CD2 3.65Å; V170-F184 HydrophobicContact CG2-CE2 3.87Å
171A96.7Very high96.1Very high76 Ų7655.8 Ų55.863%0.62836%0.359SS*.EExtended strand (participates in β ladder)trans-77-30.2178.600000113.1A181A171-A181 WeakPolarHBondContact O-CA 3.41Å
172A97Very high96.5Very high50 Ų5053 Ų5341%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-146.180.6-172.800000111.6P179A172-P179 HydrophobicContact CB-CB 4Å
173D97.9Very high96.7Very high0 Ų053.4 Ų53.40%033%0.325CS..EExtended strand (participates in β ladder)trans-89.6130.4165.7-178.381.9000110A146 N147 H148 V170 S175 T180 E182 F184A146-D173 WeakPolarHBondContact CA-OD1 3.49Å; N147-D173 PolarHBondContact N-OD1 3.41Å; H148-D173 HydrophobicContact CB-CB 4.44Å; H148-D173 IonicContact CD2-OD1 2.64Å; V170-D173 HydrophobicContact CG1-CB 4.01Å; D173-S175 WeakPolarHBondContact OD2-CB 3.41Å; D173-S175 PolarHBondContact OD2-N 2.84Å; D173-S175 VanDerWaalsContact OD2-N 3.11Å; D173-S175 PolarHBondContact OD2-OG 3.25Å; D173-T180 PolarHBondContact N-O 2.97Å; D173-T180 PolarHBondContact O-N 2.8Å; D173-T180 PolarHBondContact O-OG1 3.1Å; D173-T180 VanDerWaalsContact O-OG1 3.11Å; D173-E182 HydrophobicContact CB-CG 4.13Å; D173-F184 HydrophobicContact CB-CE2 4.03Å; D173-F184 HydrophobicContact CB-CZ 4.07Å
174V97.6Very high96.8Very high54 Ų5448.1 Ų48.133%0.32730%0.296SS..  trans-109.521.9-175.9-62.50000112.5N147 E176 G177 P179N147-V174 HydrophobicContact CB-CG2 4Å; N147-V174 VanDerWaalsContact O-CG2 3.29Å; N147-V174 WeakPolarHBondContact O-CG2 3.11Å; N147-V174 PolarHBondContact O-N 3.25Å; V174-E176 PolarHBondContact O-N 2.77Å; V174-G177 PolarHBondContact O-N 3.4Å; V174-P179 HydrophobicContact CG1-CB 4.12Å; V174-P179 HydrophobicContact CG1-CG 3.91Å
175S95.4Very high96.9Very high16 Ų1644.4 Ų44.411%0.11228%0.283CS..THydrogen-bonded Turntrans-67.6-22.1-177.262.70000114.4R116 D173R116-S175 PolarHBondContact NH2-OG 2.83Å; D173-S175 WeakPolarHBondContact OD2-CB 3.41Å; D173-S175 PolarHBondContact OD2-N 2.84Å; D173-S175 VanDerWaalsContact OD2-N 3.11Å; D173-S175 PolarHBondContact OD2-OG 3.25Å
176E93.8Very high96.9Very high115 Ų11544.3 Ų44.354%0.53728%0.282SS..THydrogen-bonded Turntrans-105.313.7175.9-55.7-67.2163.900112.6R116 V174R116-E176 IonicContact CZ-OE1 2.7Å; R116-E176 IonicContact NE-OE1 2.67Å; R116-E176 PolarHBondContact NE-OE1 3.25Å; R116-E176 IonicContact NH2-OE1 3.1Å; R116-E176 PolarHBondContact NH2-OE1 3.5Å; V174-E176 PolarHBondContact O-N 2.77Å
177G93.9Very high96.9Very high61 Ų6145.1 Ų45.163%0.62929%0.285SS*.SBendtrans104.5-63.6178.600000113.4V174V174-G177 PolarHBondContact O-N 3.4Å
178E94.7Very high97Very high156 Ų15644.4 Ų44.473%0.72928%0.281SS*.SBendtrans-86.2148.5178.5-66.3-171.7169.600112.3T180E178-T180 PolarHBondContact O-N 3.2Å
179P96.8Very high96.9Very high94 Ų9447.5 Ų47.561%0.6131%0.307SS*.  trans-62.4117.9173.5-19.731.5000111.3A172 V174A172-P179 HydrophobicContact CB-CB 4Å; V174-P179 HydrophobicContact CG1-CB 4.12Å; V174-P179 HydrophobicContact CG1-CG 3.91Å
180T96.4Very high96.9Very high47 Ų4746.5 Ų46.529%0.28830%0.298SS..EExtended strand (participates in β ladder)trans-123.9143.7-179.7520000111.3D173 E178D173-T180 PolarHBondContact N-O 2.97Å; D173-T180 PolarHBondContact O-N 2.8Å; D173-T180 PolarHBondContact O-OG1 3.1Å; D173-T180 VanDerWaalsContact O-OG1 3.11Å; E178-T180 PolarHBondContact O-N 3.2Å
181A96.8Very high96.9Very high66 Ų6648.5 Ų48.555%0.54531%0.312SS..EExtended strand (participates in β ladder)trans-82.9124.3175.100000109.9V170 A171V170-A181 CarbonylContact O-C 3.57Å; V170-A181 VanDerWaalsContact O-CA 3.26Å; V170-A181 WeakPolarHBondContact O-CA 3.47Å; A171-A181 WeakPolarHBondContact O-CA 3.41Å
182E96.7Very high97Very high26 Ų2651.9 Ų51.912%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-131.5152.8-170.7-66.8-62.7176.900111.8R105 T169 V170 D173 F184R105-E182 VanDerWaalsContact CD-OE2 3.24Å; R105-E182 WeakPolarHBondContact CD-OE2 3.3Å; R105-E182 WeakPolarHBondContact CG-OE2 3.41Å; R105-E182 IonicContact CZ-OE1 2.73Å; R105-E182 IonicContact CZ-OE2 2.94Å; R105-E182 IonicContact NE-OE1 2.67Å; R105-E182 PolarHBondContact NE-OE1 2.91Å; R105-E182 IonicContact NE-OE2 3.86Å; R105-E182 PolarHBondContact NE-OE2 2.84Å; R105-E182 IonicContact NH2-OE1 3.52Å; R105-E182 PolarHBondContact NH2-OE1 2.92Å; R105-E182 IonicContact NH2-OE2 2.58Å; T169-E182 CarbonylContact C-O 3.53Å; T169-E182 WeakPolarHBondContact CA-O 3.43Å; V170-E182 PolarHBondContact N-O 2.91Å; V170-E182 PolarHBondContact O-N 2.68Å; D173-E182 HydrophobicContact CB-CG 4.13Å; E182-F184 HydrophobicContact CB-CD1 4.47Å; E182-F184 HydrophobicContact CB-CD2 4.29Å; E182-F184 HydrophobicContact CB-CE1 3.93Å; E182-F184 HydrophobicContact CB-CE2 3.74Å; E182-F184 HydrophobicContact CB-CZ 3.53Å; E182-F184 HydrophobicContact CG-CE1 4.29Å; E182-F184 HydrophobicContact CG-CE2 4.41Å; E182-F184 HydrophobicContact CG-CZ 3.84Å
183T97.6Very high97Very high28 Ų2851.6 Ų51.617%0.17231%0.306CS..EExtended strand (participates in β ladder)trans-118.5113167.6-56.90000107.6F106 W113 V167 T169F106-T183 HydrophobicContact CB-CG2 4.2Å; F106-T183 PolarHBondContact N-O 2.88Å; W113-T183 HydrophobicContact CH2-CG2 4.03Å; V167-T183 HydrophobicContact CG1-CG2 4.12Å; T169-T183 HydrophobicContact CG2-CG2 4.14Å
184F98.1Very high97.1Very high0 Ų051.6 Ų51.60%031%0.306CS..EExtended strand (participates in β ladder)trans-103145.2-175.3-69.1-51.5000111L103 F104 V167 W168 V170 D173 E182L103-F184 HydrophobicContact CD1-CB 4.01Å; L103-F184 HydrophobicContact CD1-CD1 4.11Å; L103-F184 HydrophobicContact CD1-CG 4.14Å; L103-F184 HydrophobicContact CD2-CD1 4.24Å; L103-F184 HydrophobicContact CD2-CE1 4.29Å; L103-F184 HydrophobicContact CG-CD1 4.23Å; F104-F184 WeakPolarHBondContact O-CA 3.24Å; V167-F184 CarbonylContact C-O 3.54Å; V167-F184 VanDerWaalsContact CA-O 3.23Å; V167-F184 WeakPolarHBondContact CA-O 3.47Å; V167-F184 WeakPolarHBondContact CG1-O 3.46Å; W168-F184 HydrophobicContact CD2-CB 4.18Å; W168-F184 HydrophobicContact CE3-CB 4.23Å; W168-F184 HydrophobicContact CH2-CB 3.8Å; W168-F184 HydrophobicContact CZ2-CB 3.75Å; W168-F184 AromaticContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CD2 3.99Å; W168-F184 HydrophobicContact CZ2-CG 4.23Å; W168-F184 HydrophobicContact CZ3-CB 4.03Å; W168-F184 PolarHBondContact N-O 3.21Å; W168-F184 PolarHBondContact O-N 2.92Å; V170-F184 HydrophobicContact CB-CD2 4.38Å; V170-F184 HydrophobicContact CB-CE2 4.23Å; V170-F184 HydrophobicContact CG2-CD2 3.65Å; V170-F184 HydrophobicContact CG2-CE2 3.87Å; D173-F184 HydrophobicContact CB-CE2 4.03Å; D173-F184 HydrophobicContact CB-CZ 4.07Å; E182-F184 HydrophobicContact CB-CD1 4.47Å; E182-F184 HydrophobicContact CB-CD2 4.29Å; E182-F184 HydrophobicContact CB-CE1 3.93Å; E182-F184 HydrophobicContact CB-CE2 3.74Å; E182-F184 HydrophobicContact CB-CZ 3.53Å; E182-F184 HydrophobicContact CG-CE1 4.29Å; E182-F184 HydrophobicContact CG-CE2 4.41Å; E182-F184 HydrophobicContact CG-CZ 3.84Å
185A98Very high97.1Very high3 Ų353.1 Ų53.13%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-119.2134.6158.700000108.7L103 F104 W113 W166 V167L103-A185 CarbonylContact C-O 3.49Å; L103-A185 WeakPolarHBondContact CA-O 3.48Å; F104-A185 HydrophobicContact CB-CB 4.22Å; F104-A185 PolarHBondContact N-O 3.25Å; F104-A185 PolarHBondContact O-N 3.11Å; W113-A185 HydrophobicContact CD2-CB 4.4Å; W113-A185 HydrophobicContact CE3-CB 3.91Å; W113-A185 HydrophobicContact CH2-CB 3.69Å; W113-A185 HydrophobicContact CZ2-CB 4.21Å; W113-A185 HydrophobicContact CZ3-CB 3.52Å; W166-A185 CarbonylContact O-C 3.54Å; W166-A185 VanDerWaalsContact O-CA 3.27Å; W166-A185 WeakPolarHBondContact O-CA 3.45Å; V167-A185 HydrophobicContact CG2-CB 3.88Å
186I98.5Very high97.2Very high1 Ų155.9 Ų55.91%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-117.2133.4173.8-165.2166.5000108.9A101 K102 L103 A121 S165 W166 W168 F188 F197A101-I186 HydrophobicContact CB-CD1 3.73Å; A101-I186 HydrophobicContact CB-CG1 3.65Å; K102-I186 WeakPolarHBondContact O-CA 3.45Å; L103-I186 HydrophobicContact CD1-CB 4.28Å; A121-I186 HydrophobicContact CB-CD1 3.87Å; S165-I186 CarbonylContact C-O 3.58Å; S165-I186 WeakPolarHBondContact CA-O 3.37Å; S165-I186 WeakPolarHBondContact CB-O 3.42Å; W166-I186 HydrophobicContact CB-CG2 4.23Å; W166-I186 PolarHBondContact N-O 2.79Å; W166-I186 PolarHBondContact O-N 2.99Å; W168-I186 HydrophobicContact CE3-CG2 4.48Å; W168-I186 HydrophobicContact CH2-CB 3.8Å; W168-I186 HydrophobicContact CH2-CD1 4.48Å; W168-I186 HydrophobicContact CH2-CG2 3.91Å; W168-I186 HydrophobicContact CZ3-CB 3.65Å; W168-I186 HydrophobicContact CZ3-CG2 3.42Å; W168-I186 VanDerWaalsContact CZ3-CG2 3.42Å; I186-F188 HydrophobicContact CB-CE2 4.45Å; I186-F188 HydrophobicContact CD1-CE1 4.25Å; I186-F188 HydrophobicContact CD1-CE2 4.29Å; I186-F188 HydrophobicContact CD1-CZ 3.64Å; I186-F188 HydrophobicContact CG1-CE1 4.49Å; I186-F188 HydrophobicContact CG1-CE2 4.07Å; I186-F188 HydrophobicContact CG1-CZ 3.87Å; I186-F188 HydrophobicContact CG2-CE2 3.63Å; I186-F188 HydrophobicContact CG2-CZ 4.04Å; I186-F197 HydrophobicContact CD1-CE2 4.42Å; I186-F197 HydrophobicContact CD1-CZ 4.28Å; I186-F197 HydrophobicContact CG2-CD1 4.38Å; I186-F197 HydrophobicContact CG2-CE1 3.93Å; I186-F197 HydrophobicContact CG2-CZ 4.42Å
187R98.2Very high97.4Very high39 Ų3950.4 Ų50.415%0.14730%0.3CS..EExtended strand (participates in β ladder)trans-118135.1176.6177.3171.855.5157-2.9110.5A101 K102 F104 R164 S165A101-R187 WeakPolarHBondContact CA-O 3.26Å; K102-R187 PolarHBondContact N-O 2.67Å; K102-R187 PolarHBondContact O-N 2.7Å; F104-R187 HydrophobicContact CE2-CB 4.14Å; R164-R187 HydrophobicContact CG-CG 4.25Å; R164-R187 WeakPolarHBondContact O-CA 3.42Å; S165-R187 WeakPolarHBondContact OG-CB 3.29Å; S165-R187 WeakPolarHBondContact OG-CG 3.34Å
188F98.5Very high97.6Very high6 Ų650.2 Ų50.23%0.02628%0.282CS..  trans-107.1172.8176-61.4-84000111.6M99 A101 R164 I186 N193 A194 F197M99-F188 HydrophobicContact CB-CE1 4.35Å; M99-F188 HydrophobicContact CG-CD1 4.01Å; M99-F188 HydrophobicContact CG-CE1 4.21Å; M99-F188 HydrophobicContact SD-CD1 3.68Å; M99-F188 HydrophobicContact SD-CE1 4Å; A101-F188 HydrophobicContact CB-CD1 3.92Å; A101-F188 HydrophobicContact CB-CE1 3.69Å; A101-F188 HydrophobicContact CB-CZ 4.31Å; R164-F188 WeakPolarHBondContact CD-O 3.49Å; R164-F188 PolarHBondContact O-N 2.84Å; I186-F188 HydrophobicContact CB-CE2 4.45Å; I186-F188 HydrophobicContact CD1-CE1 4.25Å; I186-F188 HydrophobicContact CD1-CE2 4.29Å; I186-F188 HydrophobicContact CD1-CZ 3.64Å; I186-F188 HydrophobicContact CG1-CE1 4.49Å; I186-F188 HydrophobicContact CG1-CE2 4.07Å; I186-F188 HydrophobicContact CG1-CZ 3.87Å; I186-F188 HydrophobicContact CG2-CE2 3.63Å; I186-F188 HydrophobicContact CG2-CZ 4.04Å; F188-N193 HydrophobicContact CB-CB 3.91Å; F188-N193 HydrophobicContact CG-CB 4.44Å; F188-A194 HydrophobicContact CB-CB 4.27Å; F188-A194 VanDerWaalsContact CD2-CA 3.48Å; F188-A194 HydrophobicContact CD2-CB 3.68Å; F188-A194 HydrophobicContact CE2-CB 4.48Å; F188-A194 HydrophobicContact CG-CB 4.3Å; F188-F197 HydrophobicContact CE1-CB 4Å; F188-F197 HydrophobicContact CE1-CD2 4.28Å; F188-F197 HydrophobicContact CE1-CG 4.14Å; F188-F197 HydrophobicContact CE2-CB 3.7Å; F188-F197 AromaticContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD2 4.44Å; F188-F197 HydrophobicContact CE2-CE1 4.37Å; F188-F197 AromaticContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CZ-CB 3.39Å; F188-F197 AromaticContact CZ-CD1 3.61Å; F188-F197 HydrophobicContact CZ-CD1 3.61Å; F188-F197 AromaticContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CE1 4.23Å; F188-F197 HydrophobicContact CZ-CE2 4.2Å; F188-F197 AromaticContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CZ 4.49Å
189A97.8Very high97.8Very high68 Ų6849 Ų4956%0.56228%0.276SS*.SBendtrans-61.7-44.6-179.900000112.4R164R164-A189 WeakPolarHBondContact CD-O 3.49Å; R164-A189 PolarHBondContact NH1-O 2.98Å
190N97.7Very high97.9Very high67 Ų6745.6 Ų45.636%0.35825%0.253SS..SBendtrans-142.5172.8-176.960.533.6000110.6E192 N193 A194N190-E192 PolarHBondContact OD1-N 2.75Å; N190-N193 WeakPolarHBondContact OD1-CB 3.29Å; N190-N193 PolarHBondContact OD1-N 3.08Å; N190-N193 PolarHBondContact OD1-ND2 2.74Å; N190-A194 PolarHBondContact O-N 2.8Å
191S97.4Very high98Very high46 Ų4643.4 Ų43.432%0.32224%0.24SC..Hα-helixtrans-69.2-34.4-178.550.50000113.3D163 N193 A194 N195D163-S191 WeakPolarHBondContact O-CB 2.79Å; S191-N193 PolarHBondContact O-N 3.32Å; S191-A194 PolarHBondContact O-N 3.48Å; S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 2.88Å; S191-N195 PolarHBondContact O-ND2 3.19Å; S191-N195 VanDerWaalsContact O-ND2 3.16Å
192E98.1Very high98Very high147 Ų14743.9 Ų43.969%0.68723%0.231SC*.Hα-helixtrans-57.3-49.9175-176.3179.1-173.100111.6N190 A194 N195 L196N190-E192 PolarHBondContact OD1-N 2.75Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 2.99Å; E192-N195 PolarHBondContact O-N 3.29Å; E192-L196 PolarHBondContact O-N 3Å
193N98.2Very high98.1Very high43 Ų4347.2 Ų47.223%0.2325%0.245CC..Hα-helixtrans-60-41.8175.8-78-5.1000112.2M99 F188 N190 S191 L196 F197M99-N193 HydrophobicContact CE-CB 4.12Å; M99-N193 HydrophobicContact SD-CB 3.4Å; M99-N193 WeakPolarHBondContact SD-CB 3.28Å; F188-N193 HydrophobicContact CB-CB 3.91Å; F188-N193 HydrophobicContact CG-CB 4.44Å; N190-N193 WeakPolarHBondContact OD1-CB 3.29Å; N190-N193 PolarHBondContact OD1-N 3.08Å; N190-N193 PolarHBondContact OD1-ND2 2.74Å; S191-N193 PolarHBondContact O-N 3.32Å; N193-L196 PolarHBondContact O-N 3.24Å; N193-F197 PolarHBondContact O-N 3.44Å
194A98.1Very high98.1Very high0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-63.9-41.517700000111.8R164 W166 F188 N190 S191 E192 F197 K198R164-A194 HydrophobicContact CB-CB 4.41Å; W166-A194 PolarHBondContact NE1-O 2.69Å; F188-A194 HydrophobicContact CB-CB 4.27Å; F188-A194 VanDerWaalsContact CD2-CA 3.48Å; F188-A194 HydrophobicContact CD2-CB 3.68Å; F188-A194 HydrophobicContact CE2-CB 4.48Å; F188-A194 HydrophobicContact CG-CB 4.3Å; N190-A194 PolarHBondContact O-N 2.8Å; S191-A194 PolarHBondContact O-N 3.48Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 2.99Å; A194-F197 PolarHBondContact O-N 2.82Å; A194-K198 PolarHBondContact O-N 2.75Å
195N97.9Very high98.1Very high86 Ų8647.2 Ų47.246%0.4624%0.243SC..Hα-helixtrans-68-40.2177.6-70.1-34.5000111.7S191 E192 F197 K198 E199S191-N195 VanDerWaalsContact O-CG 3.31Å; S191-N195 PolarHBondContact O-N 2.88Å; S191-N195 PolarHBondContact O-ND2 3.19Å; S191-N195 VanDerWaalsContact O-ND2 3.16Å; E192-N195 PolarHBondContact O-N 3.29Å; N195-F197 VanDerWaalsContact C-N 3.33Å; N195-F197 PolarHBondContact O-N 2.87Å; N195-K198 WeakPolarHBondContact O-CB 3.42Å; N195-K198 PolarHBondContact O-N 2.83Å; N195-K198 VanDerWaalsContact O-N 3.15Å; N195-E199 PolarHBondContact O-N 3.33Å
196L98.3Very high98Very high74 Ų7452.8 Ų52.839%0.38727%0.268SS..Hα-helixtrans-63.5-39.2175.7-17264000111.9F97 M99 E192 N193 N200F97-L196 HydrophobicContact CE2-CD2 4.29Å; F97-L196 HydrophobicContact CE2-CG 4.05Å; M99-L196 HydrophobicContact CE-CB 4.45Å; M99-L196 HydrophobicContact CE-CD2 3.86Å; E192-L196 PolarHBondContact O-N 3Å; N193-L196 PolarHBondContact O-N 3.24Å; L196-N200 PolarHBondContact O-N 2.79Å; L196-N200 VanDerWaalsContact O-N 3.14Å; L196-N200 PolarHBondContact O-ND2 2.5Å
197F98.5Very high97.9Very high1 Ų155 Ų550%0.00428%0.278CS..Hα-helixtrans-60.5-46.8171.7171.7-100.6000111.5F97 L134 L156 W166 I186 F188 N193 A194 N195 E199 N200 F201F97-F197 HydrophobicContact CD1-CD2 4.25Å; F97-F197 HydrophobicContact CE1-CB 4.26Å; F97-F197 AromaticContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CD2 3.62Å; F97-F197 HydrophobicContact CE1-CG 4.44Å; F97-F197 HydrophobicContact CZ-CB 3.82Å; F97-F197 HydrophobicContact CZ-CD2 4.07Å; F97-F197 HydrophobicContact CZ-CG 4.47Å; L134-F197 HydrophobicContact CD1-CE2 3.99Å; L134-F197 HydrophobicContact CD1-CZ 3.81Å; L156-F197 HydrophobicContact CD1-CD1 4.27Å; L156-F197 HydrophobicContact CD1-CE1 4.01Å; L156-F197 HydrophobicContact CD2-CE1 4.29Å; W166-F197 AromaticContact CD1-CD1 3.98Å; I186-F197 HydrophobicContact CD1-CE2 4.42Å; I186-F197 HydrophobicContact CD1-CZ 4.28Å; I186-F197 HydrophobicContact CG2-CD1 4.38Å; I186-F197 HydrophobicContact CG2-CE1 3.93Å; I186-F197 HydrophobicContact CG2-CZ 4.42Å; F188-F197 HydrophobicContact CE1-CB 4Å; F188-F197 HydrophobicContact CE1-CD2 4.28Å; F188-F197 HydrophobicContact CE1-CG 4.14Å; F188-F197 HydrophobicContact CE2-CB 3.7Å; F188-F197 AromaticContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD1 3.65Å; F188-F197 HydrophobicContact CE2-CD2 4.44Å; F188-F197 HydrophobicContact CE2-CE1 4.37Å; F188-F197 AromaticContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CE2-CG 3.67Å; F188-F197 HydrophobicContact CZ-CB 3.39Å; F188-F197 AromaticContact CZ-CD1 3.61Å; F188-F197 HydrophobicContact CZ-CD1 3.61Å; F188-F197 AromaticContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CD2 3.58Å; F188-F197 HydrophobicContact CZ-CE1 4.23Å; F188-F197 HydrophobicContact CZ-CE2 4.2Å; F188-F197 AromaticContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CG 3.22Å; F188-F197 HydrophobicContact CZ-CZ 4.49Å; N193-F197 PolarHBondContact O-N 3.44Å; A194-F197 PolarHBondContact O-N 2.82Å; N195-F197 VanDerWaalsContact C-N 3.33Å; N195-F197 PolarHBondContact O-N 2.87Å; F197-E199 PolarHBondContact O-N 2.86Å; F197-N200 PolarHBondContact O-N 3.42Å; F197-F201 HydrophobicContact CE1-CB 4.46Å; F197-F201 HydrophobicContact CE1-CD2 4Å; F197-F201 HydrophobicContact CE2-CD2 4.33Å; F197-F201 AromaticContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CE2 4.31Å; F197-F201 HydrophobicContact CZ-CG 4.5Å; F197-F201 VanDerWaalsContact O-CB 3.27Å; F197-F201 WeakPolarHBondContact O-CB 3.4Å; F197-F201 PolarHBondContact O-N 3.11Å
198K98.1Very high97.9Very high57 Ų5753.3 Ų53.325%0.24827%0.272CS..Hα-helixtrans-60.1-46.8179.6174.4173.3178.2-174.60112L156 W166 A194 N195 N200 F201 E202L156-K198 HydrophobicContact CD1-CB 3.98Å; L156-K198 HydrophobicContact CD1-CG 3.94Å; W166-K198 HydrophobicContact CD2-CD 4.3Å; W166-K198 HydrophobicContact CE3-CD 4.33Å; W166-K198 HydrophobicContact CH2-CD 3.52Å; W166-K198 HydrophobicContact CZ2-CB 4.06Å; W166-K198 HydrophobicContact CZ2-CD 3.41Å; W166-K198 VanDerWaalsContact CZ2-CD 3.41Å; W166-K198 HydrophobicContact CZ2-CG 4.35Å; W166-K198 HydrophobicContact CZ3-CD 3.98Å; A194-K198 PolarHBondContact O-N 2.75Å; N195-K198 WeakPolarHBondContact O-CB 3.42Å; N195-K198 PolarHBondContact O-N 2.83Å; N195-K198 VanDerWaalsContact O-N 3.15Å; K198-N200 VanDerWaalsContact C-N 3.35Å; K198-N200 PolarHBondContact O-N 3.31Å; K198-F201 PolarHBondContact O-N 3.22Å; K198-E202 WeakPolarHBondContact CE-OE1 3.5Å; K198-E202 HydrophobicContact CG-CG 4.36Å; K198-E202 IonicContact NZ-OE1 3.91Å; K198-E202 WeakPolarHBondContact O-CB 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.5Å; K198-E202 PolarHBondContact O-N 3.31Å
199E98.3Very high97.8Very high129 Ų12953.8 Ų53.860%0.60328%0.278SS*.Hα-helixtrans-56.9-48177.5-176.3-173.8165.100111.5N195 F197 K203N195-E199 PolarHBondContact O-N 3.33Å; F197-E199 PolarHBondContact O-N 2.86Å; E199-K203 VanDerWaalsContact O-CB 3.26Å; E199-K203 WeakPolarHBondContact O-CB 3.14Å; E199-K203 PolarHBondContact O-N 2.7Å
200N98.5Very high97.7Very high24 Ų2456.7 Ų56.713%0.12828%0.278CS..Hα-helixtrans-66.9-41.4178.2-79.1-86.7000111.9F97 L123 L196 F197 K198 K203 Y204F97-N200 HydrophobicContact CB-CB 4.29Å; F97-N200 HydrophobicContact CD2-CB 3.93Å; F97-N200 HydrophobicContact CG-CB 4.22Å; L123-N200 HydrophobicContact CD1-CB 3.94Å; L196-N200 PolarHBondContact O-N 2.79Å; L196-N200 VanDerWaalsContact O-N 3.14Å; L196-N200 PolarHBondContact O-ND2 2.5Å; F197-N200 PolarHBondContact O-N 3.42Å; K198-N200 VanDerWaalsContact C-N 3.35Å; K198-N200 PolarHBondContact O-N 3.31Å; N200-K203 PolarHBondContact O-N 2.82Å; N200-Y204 HydrophobicContact CB-CD2 4.44Å; N200-Y204 HydrophobicContact CB-CE2 4.36Å; N200-Y204 WeakPolarHBondContact O-CD2 3.38Å; N200-Y204 PolarHBondContact O-N 2.64Å
201F98.4Very high97.5Very high0 Ų055.3 Ų55.30%027%0.27CS..Hα-helixtrans-58.6-50.9177.6-171-75.8000111L134 L150 M154 L156 F197 K198 Y204 Q205L134-F201 HydrophobicContact CD1-CD2 4.49Å; L134-F201 HydrophobicContact CD1-CE2 4.29Å; L150-F201 HydrophobicContact CD2-CD2 3.83Å; L150-F201 HydrophobicContact CD2-CE1 4.44Å; L150-F201 HydrophobicContact CD2-CE2 3.42Å; L150-F201 VanDerWaalsContact CD2-CE2 3.42Å; L150-F201 HydrophobicContact CD2-CZ 3.76Å; M154-F201 HydrophobicContact CB-CE1 4.19Å; M154-F201 HydrophobicContact CB-CZ 4.25Å; M154-F201 HydrophobicContact SD-CZ 4.03Å; L156-F201 HydrophobicContact CD1-CB 3.78Å; L156-F201 HydrophobicContact CD1-CD1 3.82Å; L156-F201 HydrophobicContact CD1-CD2 4.28Å; L156-F201 HydrophobicContact CD1-CE1 4.48Å; L156-F201 HydrophobicContact CD1-CG 3.71Å; L156-F201 HydrophobicContact CD2-CD1 4.4Å; L156-F201 HydrophobicContact CD2-CD2 4.41Å; L156-F201 HydrophobicContact CD2-CE1 4.3Å; L156-F201 HydrophobicContact CD2-CE2 4.28Å; L156-F201 HydrophobicContact CD2-CG 4.47Å; L156-F201 HydrophobicContact CD2-CZ 4.23Å; L156-F201 HydrophobicContact CG-CD1 3.93Å; L156-F201 HydrophobicContact CG-CE1 4.13Å; L156-F201 HydrophobicContact CG-CG 4.22Å; F197-F201 HydrophobicContact CE1-CB 4.46Å; F197-F201 HydrophobicContact CE1-CD2 4Å; F197-F201 HydrophobicContact CE2-CD2 4.33Å; F197-F201 AromaticContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CD2 3.64Å; F197-F201 HydrophobicContact CZ-CE2 4.31Å; F197-F201 HydrophobicContact CZ-CG 4.5Å; F197-F201 VanDerWaalsContact O-CB 3.27Å; F197-F201 WeakPolarHBondContact O-CB 3.4Å; F197-F201 PolarHBondContact O-N 3.11Å; K198-F201 PolarHBondContact O-N 3.22Å; F201-Y204 PolarHBondContact O-N 2.94Å; F201-Q205 WeakPolarHBondContact O-CB 3.11Å; F201-Q205 PolarHBondContact O-N 3.32Å
202E98Very high97.2Very high77 Ų7755.8 Ų55.836%0.3627%0.268SS..Hα-helixtrans-65.4-42.4-179.9-70.3177.1165.700111.3K198 Y204 Q205 E206K198-E202 WeakPolarHBondContact CE-OE1 3.5Å; K198-E202 HydrophobicContact CG-CG 4.36Å; K198-E202 IonicContact NZ-OE1 3.91Å; K198-E202 WeakPolarHBondContact O-CB 3.49Å; K198-E202 WeakPolarHBondContact O-CG 3.5Å; K198-E202 PolarHBondContact O-N 3.31Å; E202-Y204 PolarHBondContact O-N 3.1Å; E202-Q205 WeakPolarHBondContact O-CB 3.5Å; E202-Q205 PolarHBondContact O-N 2.86Å; E202-E206 WeakPolarHBondContact O-CG 3.23Å; E202-E206 PolarHBondContact O-N 3.44Å
203K98Very high96.7Very high96 Ų9657.4 Ų57.442%0.41727%0.273SS..Hα-helixtrans-54.3-53.6174.1177.2-167.6172-163.30112.1E199 N200 E206 E207E199-K203 VanDerWaalsContact O-CB 3.26Å; E199-K203 WeakPolarHBondContact O-CB 3.14Å; E199-K203 PolarHBondContact O-N 2.7Å; N200-K203 PolarHBondContact O-N 2.82Å; K203-E206 PolarHBondContact O-N 3.5Å; K203-E207 PolarHBondContact O-N 2.77Å; K203-E207 VanDerWaalsContact O-N 3.1Å
204Y97.9Very high95.7Very high7 Ų764 Ų643%0.02730%0.299CS..Hα-helixtrans-75.9-24.9-177.1-69.1-64.6000112.9E96 L123 K125 T132 N200 F201 E202 E207 N208E96-Y204 HydrophobicContact CB-CD2 4.47Å; E96-Y204 HydrophobicContact CB-CE1 4.08Å; E96-Y204 HydrophobicContact CB-CE2 3.66Å; E96-Y204 VanDerWaalsContact CB-CZ 3.44Å; E96-Y204 WeakPolarHBondContact CB-OH 3.46Å; E96-Y204 HydrophobicContact CG-CE1 3.83Å; E96-Y204 HydrophobicContact CG-CE2 4.34Å; E96-Y204 PolarHBondContact OE2-OH 2.73Å; L123-Y204 HydrophobicContact CD1-CD2 3.78Å; L123-Y204 HydrophobicContact CD1-CE2 4.46Å; K125-Y204 HydrophobicContact CD-CE1 4.46Å; T132-Y204 HydrophobicContact CG2-CD1 4.34Å; T132-Y204 HydrophobicContact CG2-CG 3.97Å; N200-Y204 HydrophobicContact CB-CD2 4.44Å; N200-Y204 HydrophobicContact CB-CE2 4.36Å; N200-Y204 WeakPolarHBondContact O-CD2 3.38Å; N200-Y204 PolarHBondContact O-N 2.64Å; F201-Y204 PolarHBondContact O-N 2.94Å; E202-Y204 PolarHBondContact O-N 3.1Å; Y204-E207 PolarHBondContact O-N 2.88Å; Y204-N208 WeakPolarHBondContact O-CB 3.39Å; Y204-N208 PolarHBondContact O-N 2.58Å
205Q96.8Very high93.7Very high21 Ų2172.2 Ų72.210%0.09834%0.344CS..Hα-helixtrans-63.4-43.5168.5178.3-178.74.400111.4L150 M151 P152 M154 F201 E202 N208 A209L150-Q205 HydrophobicContact CB-CB 4.49Å; M151-Q205 WeakPolarHBondContact O-CG 3.24Å; M151-Q205 PolarHBondContact O-NE2 2.91Å; M151-Q205 VanDerWaalsContact O-NE2 3.11Å; P152-Q205 VanDerWaalsContact C-NE2 3.29Å; P152-Q205 PolarHBondContact O-NE2 3.14Å; M154-Q205 PolarHBondContact O-NE2 2.98Å; F201-Q205 WeakPolarHBondContact O-CB 3.11Å; F201-Q205 PolarHBondContact O-N 3.32Å; E202-Q205 WeakPolarHBondContact O-CB 3.5Å; E202-Q205 PolarHBondContact O-N 2.86Å; Q205-N208 PolarHBondContact O-N 3Å; Q205-A209 WeakPolarHBondContact O-CB 3.18Å; Q205-A209 PolarHBondContact O-N 2.87Å
206E96.9Very high93.4Very high119 Ų11971.5 Ų71.556%0.55634%0.338SS*.Hα-helixtrans-65.4-40.3174.5-73-175.9-172.900112.6E202 K203 A209 K210E202-E206 WeakPolarHBondContact O-CG 3.23Å; E202-E206 PolarHBondContact O-N 3.44Å; K203-E206 PolarHBondContact O-N 3.5Å; E206-A209 WeakPolarHBondContact O-CB 3.24Å; E206-A209 PolarHBondContact O-N 2.91Å; E206-K210 WeakPolarHBondContact O-CG 2.81Å; E206-K210 PolarHBondContact O-N 2.91Å; E206-K210 VanDerWaalsContact O-N 3.11Å
207E96.8Very high93.2Very high48 Ų4871.4 Ų71.422%0.22434%0.335CS..Hα-helixtrans-60.1-47.3173.2-72.3-174-164.400111.2K125 K203 Y204 A209 K210 I211K125-E207 IonicContact NZ-OE2 3.48Å; K125-E207 PolarHBondContact NZ-OE2 2.78Å; K203-E207 PolarHBondContact O-N 2.77Å; K203-E207 VanDerWaalsContact O-N 3.1Å; Y204-E207 PolarHBondContact O-N 2.88Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.36Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 2.81Å; E207-K210 VanDerWaalsContact O-N 3.17Å; E207-I211 WeakPolarHBondContact O-CG1 3.21Å; E207-I211 PolarHBondContact O-N 2.99Å; E207-I211 VanDerWaalsContact O-N 3.14Å
208N97.2Very high92.9Very high3 Ų375.3 Ų75.32%0.01635%0.353CS..Hα-helixtrans-59.8-40.9174.9-80.34000112K131 T132 L150 Y204 Q205 K210 I211 L212K131-N208 WeakPolarHBondContact CA-OD1 3.43Å; T132-N208 PolarHBondContact N-ND2 2.71Å; T132-N208 PolarHBondContact N-OD1 3.32Å; T132-N208 PolarHBondContact O-ND2 3.3Å; L150-N208 WeakPolarHBondContact O-CB 3.47Å; L150-N208 PolarHBondContact O-ND2 3.45Å; Y204-N208 WeakPolarHBondContact O-CB 3.39Å; Y204-N208 PolarHBondContact O-N 2.58Å; Q205-N208 PolarHBondContact O-N 3Å; N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 3.04Å; N208-I211 PolarHBondContact O-N 2.89Å; N208-I211 VanDerWaalsContact O-N 3.12Å; N208-L212 WeakPolarHBondContact O-CB 3.34Å; N208-L212 VanDerWaalsContact O-CG 3.3Å; N208-L212 WeakPolarHBondContact O-CG 3.47Å; N208-L212 PolarHBondContact O-N 2.67Å
209A96.4Very high92.6Very high17 Ų1776.4 Ų76.414%0.1436%0.36CS..Hα-helixtrans-59.3-38.9176.600000112.3P152 Q205 E206 E207 K213P152-A209 HydrophobicContact CB-CB 3.87Å; P152-A209 HydrophobicContact CG-CB 3.56Å; Q205-A209 WeakPolarHBondContact O-CB 3.18Å; Q205-A209 PolarHBondContact O-N 2.87Å; E206-A209 WeakPolarHBondContact O-CB 3.24Å; E206-A209 PolarHBondContact O-N 2.91Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.36Å; A209-K213 VanDerWaalsContact O-CG 3.31Å; A209-K213 WeakPolarHBondContact O-CG 3.47Å; A209-K213 PolarHBondContact O-N 3.33Å
210K95.7Very high92.2Very high129 Ų12973.1 Ų73.156%0.56134%0.344SS*.Hα-helixtrans-68-35176.2-67.4165.2-171.5164.40111.9E206 E207 N208 K214E206-K210 WeakPolarHBondContact O-CG 2.81Å; E206-K210 PolarHBondContact O-N 2.91Å; E206-K210 VanDerWaalsContact O-N 3.11Å; E207-K210 WeakPolarHBondContact O-CB 3.39Å; E207-K210 PolarHBondContact O-N 2.81Å; E207-K210 VanDerWaalsContact O-N 3.17Å; N208-K210 VanDerWaalsContact C-N 3.28Å; N208-K210 PolarHBondContact O-N 3.04Å; K210-K214 WeakPolarHBondContact O-CG 3.3Å
211I94.6Very high91.8Very high37 Ų3776.3 Ų76.319%0.1936%0.359CS..Hα-helixtrans-74-45.4178.6-64.5164000110.6G130 K131 E207 N208 K213 K214G130-I211 VanDerWaalsContact O-CD1 3.29Å; G130-I211 WeakPolarHBondContact O-CD1 3.43Å; K131-I211 HydrophobicContact CG-CG2 4.18Å; E207-I211 WeakPolarHBondContact O-CG1 3.21Å; E207-I211 PolarHBondContact O-N 2.99Å; E207-I211 VanDerWaalsContact O-N 3.14Å; N208-I211 PolarHBondContact O-N 2.89Å; N208-I211 VanDerWaalsContact O-N 3.12Å; I211-K213 VanDerWaalsContact C-N 3.26Å; I211-K213 PolarHBondContact O-N 3.22Å; I211-K214 PolarHBondContact O-N 3.04Å; I211-K214 VanDerWaalsContact O-N 3.1Å
212L90.7Very high91.3Very high57 Ų5781.8 Ų81.830%0.29839%0.385SS..Hα-helixtrans-65.5-26.2-178.6-71.2166.1000113.3M151 P152 N208M151-L212 HydrophobicContact CE-CD1 4.28Å; M151-L212 HydrophobicContact SD-CD1 4.19Å; P152-L212 HydrophobicContact CG-CD1 3.93Å; N208-L212 WeakPolarHBondContact O-CB 3.34Å; N208-L212 VanDerWaalsContact O-CG 3.3Å; N208-L212 WeakPolarHBondContact O-CG 3.47Å; N208-L212 PolarHBondContact O-N 2.67Å
213K88Confident90.8Very high181 Ų18182.2 Ų82.279%0.78739%0.386SS*.THydrogen-bonded Turntrans-77.9-17.6174.2-73176.1-177.2-178.90114.1A209 I211A209-K213 VanDerWaalsContact O-CG 3.31Å; A209-K213 WeakPolarHBondContact O-CG 3.47Å; A209-K213 PolarHBondContact O-N 3.33Å; I211-K213 VanDerWaalsContact C-N 3.26Å; I211-K213 PolarHBondContact O-N 3.22Å
214K76.5Confident90.2Very high180 Ų18081 Ų8178%0.78338%0.384SS*.THydrogen-bonded Turntrans-87.3-15.1-178.4-75.4179.9178.6-175.60113.1K210 I211K210-K214 WeakPolarHBondContact O-CG 3.3Å; I211-K214 PolarHBondContact O-N 3.04Å; I211-K214 VanDerWaalsContact O-N 3.1Å
215N55.5Low89.5Confident173 Ų17387.7 Ų87.793%0.92542%0.416SS*.  trans-112.30-179.1-63.6-9.3000109.9

Retrieved 215 of 215 residues in 105.6 ms (Link to these results)