A0A096N123_PAPAN Loading...

Large ribosomal subunit protein mL49

AlphaFold DB , UniProt , Accession A0A096N123, Species PAPAN (Papio anubis, Olive baboon), Gene MRPL49, Length 166 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
1M39.8Very low36.9Very low253 Ų253163.2 Ų163.2100%1.24686%0.858SS**  0133.70-82.2-170164.200108.7
2A30.9Very low36.9Very low90 Ų90155.5 Ų155.574%0.74485%0.847SS**  trans-84.5140.5-168.500000112.5
3V28.5Very low36.9Very low125 Ų125162.2 Ų162.276%0.75885%0.853SS**  trans48.9120.5136.1-154.60000116.9
4T35.8Very low37.2Very low115 Ų115168 Ų16871%0.70686%0.858SS**  170145.988.335.50000105.8
5M35.8Very low37.7Very low179 Ų179166.9 Ų166.988%0.88286%0.862SS**  -168.3131.388.6-84.7-84.7-146.800110.1
6F36.8Very low37.9Very low196 Ų196160.8 Ų160.886%0.8685%0.853SS**  trans-64.2142.1167-102-101.3000111.7
7R40.7Very low38.4Very low251 Ų251159.6 Ų159.695%0.94785%0.853SS**  trans-138.5116.2147.9-95.2-172.1172.3179.7-1.8109.8
8A41.6Very low39Very low95 Ų95161.4 Ų161.479%0.78586%0.856SS**  trans-79.9144.4170.400000110.4
9A38.8Very low39.4Very low90 Ų90165.7 Ų165.774%0.74486%0.859SS**  trans-160113151.200000111.9
10L37.4Very low39.6Very low173 Ų173161 Ų16191%0.90685%0.853SS**  trans55.7127.9131.8-68.3160.7000122
11R40.3Very low40Very low228 Ų228159.6 Ų159.686%0.8686%0.855SS**  trans-44.7138.1167.6-73.5174.3173.7-1290.2113.7
12G36.2Very low40.4Very low71 Ų71150.9 Ų150.973%0.73283%0.83SS**  trans-141106.115300000109.6R14G12-R14 PolarHBondContact O-N 2.91Å
13W36.9Very low41.5Very low243 Ų243154.8 Ų154.892%0.9284%0.837SS**  trans-71.3120.8163-87.25.3000108.2
14R40.7Very low42.5Very low243 Ų243159.9 Ų159.992%0.91784%0.842SS**  trans-121.6113160.2-78.9-169.6-176-127.42.7108.9G12 G16G12-R14 PolarHBondContact O-N 2.91Å; R14-G16 PolarHBondContact O-N 3.17Å
15T46Very low43.2Very low151 Ų151161.9 Ų161.993%0.92685%0.848SS**  trans-57.1122.915738.10000108.8
16G39.8Very low44.2Very low70 Ų70160.8 Ų160.872%0.72285%0.845SS**  trans-15085.6177.900000109.3R14 Q18R14-G16 PolarHBondContact O-N 3.17Å; G16-Q18 PolarHBondContact O-N 3.4Å
17V47Very low45.2Very low140 Ų140156.1 Ų156.185%0.84884%0.837SS**  trans-66.6111.7164172.60000106.7
18Q49Very low46.1Very low192 Ų192152.3 Ų152.390%0.89783%0.83SS**  trans-110.8115.4159.8-79.7-163.7-43.700109.5G16G16-Q18 PolarHBondContact O-N 3.4Å
19R46.3Very low46.8Very low244 Ų244154.2 Ų154.292%0.92183%0.831SS**  trans-63.3135.7164.3-74.1179.5169.2178.2-3.5109.1
20G43.8Very low48Very low71 Ų71159 Ų15973%0.73284%0.839SS**  trans176.372.9168.100000108.7G22G20-G22 PolarHBondContact O-N 3.4Å
21C47.2Very low49.3Very low132 Ų132153.3 Ų153.389%0.89282%0.821SS**  trans-53.899.9156.3-88.40000106.3L23C21-L23 VanDerWaalsContact C-N 3.3Å; C21-L23 PolarHBondContact O-N 2.99Å
22G49.9Very low50.9Low70 Ų70148.5 Ų148.572%0.72282%0.82SS**  trans-59.7104.4159.700000105.6G20 R24G20-G22 PolarHBondContact O-N 3.4Å; G22-R24 VanDerWaalsContact C-N 3.27Å; G22-R24 PolarHBondContact O-N 3.39Å
23L52.1Low52.8Low171 Ų171148.8 Ų148.890%0.89581%0.809SS**  trans-54.2103.4160.7-78.8162.4000104.9C21 L25C21-L23 VanDerWaalsContact C-N 3.3Å; C21-L23 PolarHBondContact O-N 2.99Å; L23-L25 PolarHBondContact O-N 3.41Å
24R50.4Low55.1Low232 Ų232145.1 Ų145.188%0.87581%0.807SS**  trans-54.2115.9160.5-87.4-174.7-179.2-163.3-0.1104.2G22 L26G22-R24 VanDerWaalsContact C-N 3.27Å; G22-R24 PolarHBondContact O-N 3.39Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 2.97Å
25L51.4Low57.2Low158 Ų158142 Ų14283%0.82780%0.797SS**  trans-49.7109.9165.8-170.273.8000105L23 S27L23-L25 PolarHBondContact O-N 3.41Å; L25-S27 PolarHBondContact O-N 3.19Å; L25-S27 VanDerWaalsContact O-N 3.13Å
26L56.4Low59.3Low156 Ų156140.2 Ų140.282%0.81779%0.788SS**  trans-49.9127.3172.7-77.1165.8000105.4R24 Q28R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 2.97Å; L26-Q28 PolarHBondContact O-N 3.3Å
27S57.3Low61.6Low98 Ų98142.9 Ų142.969%0.68580%0.795SS**  trans-26.3125.2173.7480000110.1L25 T29L25-S27 PolarHBondContact O-N 3.19Å; L25-S27 VanDerWaalsContact O-N 3.13Å; S27-T29 PolarHBondContact O-N 3.35Å
28Q59.9Low63.7Low171 Ų171143.8 Ų143.880%0.79979%0.788SS**  trans-41.6111.6162.1-67.9174.31.700106.2L26 Q30L26-Q28 PolarHBondContact O-N 3.3Å; Q28-Q30 VanDerWaalsContact C-N 3.28Å; Q28-Q30 PolarHBondContact O-N 2.7Å
29T57Low65.9Low134 Ų134141.2 Ų141.282%0.82279%0.785SS**  trans-56.4104.6169.728.60000104.4S27 G31S27-T29 PolarHBondContact O-N 3.35Å; T29-G31 PolarHBondContact O-N 3.12Å
30Q62.8Low68.1Low191 Ų191137.4 Ų137.489%0.89378%0.778SS**PPolyproline II helixtrans-53.7116.9170.2-69.7179.8-12.700104.7Q28Q28-Q30 VanDerWaalsContact C-N 3.28Å; Q28-Q30 PolarHBondContact O-N 2.7Å
31G65.5Low70.5Confident53 Ų53137.2 Ų137.255%0.54677%0.765SS.*PPolyproline II helixtrans-54155.9174.900000109.4T29T29-G31 PolarHBondContact O-N 3.12Å
32P72.3Confident72.8Confident127 Ų127136.8 Ų136.883%0.82576%0.758SS**SBendtrans-50.2132.2179.319.6-30.4000109.5D34P32-D34 PolarHBondContact O-N 3.13Å
33P77.8Confident74.9Confident78 Ų78140 Ų14051%0.50676%0.759SS.*PPolyproline II helixtrans-53.3134-177.417.4-30.4000111Y35P33-Y35 HydrophobicContact CB-CE1 4.22Å; P33-Y35 HydrophobicContact CB-CE2 4.19Å; P33-Y35 HydrophobicContact CG-CD2 4.43Å; P33-Y35 HydrophobicContact CG-CE1 4.14Å; P33-Y35 HydrophobicContact CG-CE2 3.56Å; P33-Y35 WeakPolarHBondContact CG-OH 3.48Å; P33-Y35 VanDerWaalsContact O-CD2 3.25Å; P33-Y35 WeakPolarHBondContact O-CD2 3.39Å; P33-Y35 PolarHBondContact O-N 3.5Å
34D83.8Confident77Confident166 Ų166137.3 Ų137.389%0.88874%0.742SS**  trans-74.992.6-179.7-16815.8000109.3P32P32-D34 PolarHBondContact O-N 3.13Å
35Y85.7Confident79.2Confident177 Ų177132.3 Ų132.369%0.69472%0.724SS**PPolyproline II helixtrans-84.2144.5179.7-63.6-66.4000111.1P33P33-Y35 HydrophobicContact CB-CE1 4.22Å; P33-Y35 HydrophobicContact CB-CE2 4.19Å; P33-Y35 HydrophobicContact CG-CD2 4.43Å; P33-Y35 HydrophobicContact CG-CE1 4.14Å; P33-Y35 HydrophobicContact CG-CE2 3.56Å; P33-Y35 WeakPolarHBondContact CG-OH 3.48Å; P33-Y35 VanDerWaalsContact O-CD2 3.25Å; P33-Y35 WeakPolarHBondContact O-CD2 3.39Å; P33-Y35 PolarHBondContact O-N 3.5Å
36P89.1Confident81.3Confident114 Ų114129.1 Ų129.174%0.7471%0.705SS**PPolyproline II helixtrans-61.6145.3172.227.7-34.4000111
37S89.1Confident83.2Confident125 Ų125126.9 Ų126.987%0.87469%0.688SS**PPolyproline II helixtrans-64.5143.6174.659.40000111.3
38F92.1Very high85.1Confident159 Ų159125 Ų12570%0.69767%0.673SS**  trans-122.9160.1175.562.1-89.5000111.3E40F38-E40 HydrophobicContact CD2-CG 3.76Å; F38-E40 HydrophobicContact CE2-CG 3.56Å; F38-E40 VanDerWaalsContact CE2-OE1 3.31Å; F38-E40 WeakPolarHBondContact CE2-OE1 3.44Å
39V93.8Very high86.8Confident138 Ų138122.6 Ų122.684%0.83666%0.662SS**  trans-117.6127.7172.2179.90000107.4
40E93.5Very high88.7Confident165 Ų165124.4 Ų124.477%0.77165%0.653SS**  trans-91.6123.5174.6-60.9-176.5164.100109.4F38F38-E40 HydrophobicContact CD2-CG 3.76Å; F38-E40 HydrophobicContact CE2-CG 3.56Å; F38-E40 VanDerWaalsContact CE2-OE1 3.31Å; F38-E40 WeakPolarHBondContact CE2-OE1 3.44Å
41S93.4Very high90.3Very high67 Ų67122.1 Ų122.147%0.46965%0.647SS.*  trans-119.4143.3177.450.20000110.3E44S41-E44 WeakPolarHBondContact CB-OE2 3.41Å; S41-E44 PolarHBondContact OG-OE2 2.82Å
42V95.3Very high91.8Very high122 Ų122125 Ų12574%0.73965%0.649SS**SBendtrans-102-27.4178.7-177.50000111.3E44 Y45V42-E44 VanDerWaalsContact C-N 3.27Å; V42-E44 PolarHBondContact O-N 2.88Å; V42-Y45 WeakPolarHBondContact O-CB 3.21Å; V42-Y45 PolarHBondContact O-N 3.2Å
43D94.5Very high92.9Very high139 Ų139124.4 Ų124.474%0.74365%0.645SS**THydrogen-bonded Turntrans-62.1-30.9-173.3-62.6-24.4000113.6Y45D43-Y45 VanDerWaalsContact C-N 3.31Å
44E96.4Very high93.8Very high113 Ų113124.8 Ų124.853%0.52866%0.655SS.*THydrogen-bonded Turntrans-82.8-7.4178.2-65.8125.8171.900113.1S41 V42 Q46 F47S41-E44 WeakPolarHBondContact CB-OE2 3.41Å; S41-E44 PolarHBondContact OG-OE2 2.82Å; V42-E44 VanDerWaalsContact C-N 3.27Å; V42-E44 PolarHBondContact O-N 2.88Å; E44-Q46 PolarHBondContact O-N 2.9Å; E44-F47 HydrophobicContact CB-CD2 4.24Å; E44-F47 VanDerWaalsContact O-CD2 3.22Å; E44-F47 WeakPolarHBondContact O-CD2 3.43Å; E44-F47 PolarHBondContact O-N 2.76Å; E44-F47 VanDerWaalsContact O-N 3.13Å
45Y95.7Very high94.3Very high127 Ų127123.9 Ų123.950%0.49866%0.656SS.*Hα-helixtrans-65.8-21.4-179.7-160.2-98000112.8V42 D43 F47 V48 E49V42-Y45 WeakPolarHBondContact O-CB 3.21Å; V42-Y45 PolarHBondContact O-N 3.2Å; D43-Y45 VanDerWaalsContact C-N 3.31Å; Y45-F47 PolarHBondContact O-N 2.81Å; Y45-F47 VanDerWaalsContact O-N 3.07Å; Y45-V48 HydrophobicContact CD2-CB 4.1Å; Y45-V48 HydrophobicContact CD2-CG2 3.99Å; Y45-V48 HydrophobicContact CE1-CB 4.43Å; Y45-V48 HydrophobicContact CE1-CG1 4.49Å; Y45-V48 HydrophobicContact CE2-CB 4.03Å; Y45-V48 HydrophobicContact CE2-CG1 3.96Å; Y45-V48 HydrophobicContact CE2-CG2 4.16Å; Y45-V48 HydrophobicContact CG-CB 4.34Å; Y45-V48 WeakPolarHBondContact O-CA 2.87Å; Y45-V48 VanDerWaalsContact O-CB 3.29Å; Y45-V48 WeakPolarHBondContact O-CB 3.36Å; Y45-V48 PolarHBondContact O-N 2.9Å; Y45-E49 HydrophobicContact CD1-CG 3.99Å; Y45-E49 HydrophobicContact CE1-CG 4.15Å; Y45-E49 PolarHBondContact O-N 3.29Å
46Q96.4Very high94.8Very high91 Ų91124.7 Ų124.743%0.42566%0.657SS.*Hα-helixtrans-54.7-28.4172.666.2173.2-36.400113.4E44 R50E44-Q46 PolarHBondContact O-N 2.9Å; Q46-R50 WeakPolarHBondContact O-CG 3.49Å; Q46-R50 PolarHBondContact O-N 2.72Å
47F96.6Very high95.1Very high109 Ų109121.4 Ų121.448%0.47863%0.633SS.*Hα-helixtrans-74.8-31.5177.2-60.6-66.8000111.3E44 Y45 L51E44-F47 HydrophobicContact CB-CD2 4.24Å; E44-F47 VanDerWaalsContact O-CD2 3.22Å; E44-F47 WeakPolarHBondContact O-CD2 3.43Å; E44-F47 PolarHBondContact O-N 2.76Å; E44-F47 VanDerWaalsContact O-N 3.13Å; Y45-F47 PolarHBondContact O-N 2.81Å; Y45-F47 VanDerWaalsContact O-N 3.07Å; F47-L51 WeakPolarHBondContact O-CG 3.26Å
48V96.8Very high95.5Very high59 Ų59120.2 Ų120.236%0.35862%0.623SS.*Hα-helixtrans-68.8-42.1173.2-175.20000110Y45 R50 L51 L52Y45-V48 HydrophobicContact CD2-CB 4.1Å; Y45-V48 HydrophobicContact CD2-CG2 3.99Å; Y45-V48 HydrophobicContact CE1-CB 4.43Å; Y45-V48 HydrophobicContact CE1-CG1 4.49Å; Y45-V48 HydrophobicContact CE2-CB 4.03Å; Y45-V48 HydrophobicContact CE2-CG1 3.96Å; Y45-V48 HydrophobicContact CE2-CG2 4.16Å; Y45-V48 HydrophobicContact CG-CB 4.34Å; Y45-V48 WeakPolarHBondContact O-CA 2.87Å; Y45-V48 VanDerWaalsContact O-CB 3.29Å; Y45-V48 WeakPolarHBondContact O-CB 3.36Å; Y45-V48 PolarHBondContact O-N 2.9Å; V48-R50 VanDerWaalsContact C-N 3.28Å; V48-R50 PolarHBondContact O-N 2.97Å; V48-L51 WeakPolarHBondContact O-CB 3.39Å; V48-L51 PolarHBondContact O-N 3.35Å; V48-L52 PolarHBondContact O-N 3.41Å
49E96.1Very high95.6Very high120 Ų120118 Ų11856%0.56162%0.618SS**Hα-helixtrans-58.1-38.3178.1-67-175.7168.300112.7Y45 L51 L52Y45-E49 HydrophobicContact CD1-CG 3.99Å; Y45-E49 HydrophobicContact CE1-CG 4.15Å; Y45-E49 PolarHBondContact O-N 3.29Å; E49-L51 PolarHBondContact O-N 3.27Å; E49-L52 WeakPolarHBondContact O-CB 3.42Å; E49-L52 PolarHBondContact O-N 3.02Å; E49-L52 VanDerWaalsContact O-N 3.14Å
50R96.1Very high95.7Very high172 Ų172113.8 Ų113.865%0.64959%0.593SS**THydrogen-bonded Turntrans-66.2-21.6176.9-65.4171.6-163-175.75.9113.6Q46 V48Q46-R50 WeakPolarHBondContact O-CG 3.49Å; Q46-R50 PolarHBondContact O-N 2.72Å; V48-R50 VanDerWaalsContact C-N 3.28Å; V48-R50 PolarHBondContact O-N 2.97Å
51L96.8Very high95.8Very high144 Ų144110 Ų11075%0.75458%0.583SS**THydrogen-bonded Turntrans-85.7-14.9177.5-61.7174.7000112.2F47 V48 E49F47-L51 WeakPolarHBondContact O-CG 3.26Å; V48-L51 WeakPolarHBondContact O-CB 3.39Å; V48-L51 PolarHBondContact O-N 3.35Å; E49-L51 PolarHBondContact O-N 3.27Å
52L96.3Very high95.9Very high112 Ų112116.4 Ų116.459%0.58660%0.602SS**SBendtrans-72.6124.7177.9-60.4179.1000109.9V48 E49V48-L52 PolarHBondContact O-N 3.41Å; E49-L52 WeakPolarHBondContact O-CB 3.42Å; E49-L52 PolarHBondContact O-N 3.02Å; E49-L52 VanDerWaalsContact O-N 3.14Å
53P96.6Very high95.8Very high115 Ų115115 Ų11575%0.74759%0.588SS**PPolyproline II helixtrans-74.3143.5178.630.2-34.4000111.2T55P53-T55 PolarHBondContact O-N 2.88Å
54A95.3Very high95.8Very high87 Ų87117 Ų11772%0.71959%0.592SS**PPolyproline II helixtrans-67.6129.8170.900000110.8
55T95.1Very high95.8Very high147 Ų147118.7 Ų118.790%0.90260%0.6SS**SBendtrans-74.9-35.6178.2-45.30000112.3P53P53-T55 PolarHBondContact O-N 2.88Å
56R96Very high95.7Very high194 Ų194116.8 Ų116.873%0.73259%0.593SS**SBendtrans-100.1139.2-179.7-176.4176.9170176.5-4.3109.9
57I95.9Very high95.6Very high44 Ų44116.5 Ų116.523%0.22660%0.599CS.*PPolyproline II helixtrans-64.6126.7172.6-61.2173.2000108.2R90 M91I57-R90 HydrophobicContact CD1-CB 4.09Å; I57-R90 HydrophobicContact CD1-CG 3.81Å; I57-R90 WeakPolarHBondContact CD1-O 3.44Å; I57-M91 HydrophobicContact CD1-CE 3.85Å; I57-M91 HydrophobicContact CD1-SD 3.52Å; I57-M91 VanDerWaalsContact CD1-SD 3.52Å; I57-M91 HydrophobicContact CG1-SD 4.34Å; I57-M91 HydrophobicContact CG2-SD 4.37Å
58P96.1Very high95.5Very high101 Ų101111.9 Ų111.966%0.65658%0.58SS**PPolyproline II helixtrans-70.4146.6176.130.2-34.8000110.7
59D95.5Very high95.5Very high113 Ų113116.2 Ų116.260%0.60461%0.609SS**PPolyproline II helixtrans-67.7146.7172.1-63.7-49000110.1
60P95.7Very high95.4Very high49 Ų49115.3 Ų115.332%0.31862%0.616SS.*PPolyproline II helixtrans-66.1141.8-176.426.4-33.8000110.8W72P60-W72 HydrophobicContact CB-CH2 3.58Å; P60-W72 HydrophobicContact CB-CZ2 3.92Å; P60-W72 HydrophobicContact CB-CZ3 4.23Å; P60-W72 HydrophobicContact CG-CH2 3.61Å; P60-W72 HydrophobicContact CG-CZ2 3.79Å
61P95.8Very high95.2Very high86 Ų86109.3 Ų109.356%0.55861%0.608SS**PPolyproline II helixtrans-64.2149175.627.6-33.6000110.9
62K94.6Very high95.2Very high200 Ų200104.3 Ų104.387%0.8758%0.579SS**PPolyproline II helixtrans-76.8129.7172.9-64.9-177.5179.3-177.70108.9
63H94.2Very high95.1Very high92 Ų92102.5 Ų102.543%0.42657%0.567SS.*  trans-111.9151.6176.4-63-67.5000109.6Y66 T68H63-Y66 HydrophobicContact CB-CE1 3.9Å; H63-Y66 PolarHBondContact N-OH 3.13Å; H63-Y66 VanDerWaalsContact O-CE2 3.24Å; H63-Y66 WeakPolarHBondContact O-CE2 3.47Å; H63-T68 VanDerWaalsContact CD2-CG2 3.45Å; H63-T68 WeakPolarHBondContact CD2-CG2 3.36Å
64E94.8Very high95.1Very high181 Ų18198.8 Ų98.885%0.84654%0.544SS*.SBendtrans-74.3-34.5178.5-62.8-179.2-179.400112.2
65H95.1Very high95.1Very high150 Ų15097.1 Ų97.169%0.69453%0.525SS*.SBendtrans-120.3134.6-177.6-59.3-50.8000111.3
66Y93.8Very high95Very high86 Ų8698.6 Ų98.634%0.33751%0.514SS..SBendtrans-126147.1174.7-66.7-69.4000110.1H63 T68 W72 P74H63-Y66 HydrophobicContact CB-CE1 3.9Å; H63-Y66 PolarHBondContact N-OH 3.13Å; H63-Y66 VanDerWaalsContact O-CE2 3.24Å; H63-Y66 WeakPolarHBondContact O-CE2 3.47Å; Y66-T68 HydrophobicContact CD1-CG2 4.28Å; Y66-T68 HydrophobicContact CE1-CG2 4.3Å; Y66-W72 HydrophobicContact CE1-CE3 4.32Å; Y66-W72 AromaticContact CE1-CZ3 3.87Å; Y66-W72 HydrophobicContact CE1-CZ3 3.87Å; Y66-P74 HydrophobicContact CD1-CG 4.13Å; Y66-P74 HydrophobicContact CD2-CG 4.36Å; Y66-P74 HydrophobicContact CE1-CG 3.77Å; Y66-P74 HydrophobicContact CE2-CG 4.02Å; Y66-P74 HydrophobicContact CG-CG 4.41Å
67P94.8Very high94.8Very high85 Ų8596.1 Ų96.155%0.55252%0.515SS*.SBendcis-67.5157.8-4.130.5-36.2000112.5
68T95.3Very high94.7Very high13 Ų1399 Ų998%0.0854%0.537CS..  trans-65.9163.8172.160.20000110.3H63 Y66 S70 G71 W72H63-T68 VanDerWaalsContact CD2-CG2 3.45Å; H63-T68 WeakPolarHBondContact CD2-CG2 3.36Å; Y66-T68 HydrophobicContact CD1-CG2 4.28Å; Y66-T68 HydrophobicContact CE1-CG2 4.3Å; T68-S70 PolarHBondContact O-N 3.43Å; T68-S70 PolarHBondContact OG1-OG 3.48Å; T68-G71 WeakPolarHBondContact O-CA 3.48Å; T68-G71 PolarHBondContact O-N 2.86Å; T68-W72 HydrophobicContact CG2-CE3 4.04Å; T68-W72 PolarHBondContact N-O 3.04Å; T68-W72 WeakPolarHBondContact OG1-CB 3.5Å; T68-W72 PolarHBondContact OG1-N 3.06Å; T68-W72 VanDerWaalsContact OG1-N 3.1Å; T68-W72 PolarHBondContact OG1-O 2.7Å
69P96.1Very high94.4Very high149 Ų14998 Ų9897%0.96853%0.531SS*.THydrogen-bonded Turntrans-56.2-23.8176.2-27.735.9000114.5G71P69-G71 VanDerWaalsContact C-N 3.27Å; P69-G71 PolarHBondContact O-N 2.62Å
70S93.1Very high94.2Very high101 Ų10194.4 Ų94.471%0.70651%0.513SS*.THydrogen-bonded Turntrans-79.2-3.8173.857.50000114.4T68 W72T68-S70 PolarHBondContact O-N 3.43Å; T68-S70 PolarHBondContact OG1-OG 3.48Å; S70-W72 VanDerWaalsContact C-N 3.34Å
71G93.1Very high94.1Very high47 Ų47100.1 Ų100.149%0.48554%0.541SS..SBendtrans79.311.8-17400000114.2T68 P69T68-G71 WeakPolarHBondContact O-CA 3.48Å; T68-G71 PolarHBondContact O-N 2.86Å; P69-G71 VanDerWaalsContact C-N 3.27Å; P69-G71 PolarHBondContact O-N 2.62Å
72W95.8Very high94Very high38 Ų3898.9 Ų98.914%0.14453%0.53CS..  trans-82.2141.3176.8-178.486.7000111P60 Y66 T68 S70 P74 H92P60-W72 HydrophobicContact CB-CH2 3.58Å; P60-W72 HydrophobicContact CB-CZ2 3.92Å; P60-W72 HydrophobicContact CB-CZ3 4.23Å; P60-W72 HydrophobicContact CG-CH2 3.61Å; P60-W72 HydrophobicContact CG-CZ2 3.79Å; Y66-W72 HydrophobicContact CE1-CE3 4.32Å; Y66-W72 AromaticContact CE1-CZ3 3.87Å; Y66-W72 HydrophobicContact CE1-CZ3 3.87Å; T68-W72 HydrophobicContact CG2-CE3 4.04Å; T68-W72 PolarHBondContact N-O 3.04Å; T68-W72 WeakPolarHBondContact OG1-CB 3.5Å; T68-W72 PolarHBondContact OG1-N 3.06Å; T68-W72 VanDerWaalsContact OG1-N 3.1Å; T68-W72 PolarHBondContact OG1-O 2.7Å; S70-W72 VanDerWaalsContact C-N 3.34Å; W72-P74 HydrophobicContact CH2-CB 3.74Å; W72-P74 HydrophobicContact CH2-CG 4.33Å; W72-P74 HydrophobicContact CZ2-CB 4.25Å; W72-P74 HydrophobicContact CZ3-CB 4.28Å; W72-P74 HydrophobicContact CZ3-CG 4.39Å; W72-H92 HydrophobicContact CZ2-CB 4.05Å; W72-H92 PolarHBondContact NE1-O 3.47Å
73Q95.2Very high94.1Very high74 Ų7493.2 Ų93.235%0.34651%0.513SS..  trans-139.5134.3176.2-1721788.900109.4R88 L162Q73-R88 PolarHBondContact O-NH1 3.02Å; Q73-R88 PolarHBondContact O-NH2 3.08Å; Q73-R88 VanDerWaalsContact O-NH2 3.08Å; Q73-L162 HydrophobicContact CB-CD2 4.31Å
74P95.4Very high94.2Very high38 Ų3889 Ų8925%0.24749%0.494CS..PPolyproline II helixtrans-65.9157.5173.928.7-34.8000110.9Y66 W72Y66-P74 HydrophobicContact CD1-CG 4.13Å; Y66-P74 HydrophobicContact CD2-CG 4.36Å; Y66-P74 HydrophobicContact CE1-CG 3.77Å; Y66-P74 HydrophobicContact CE2-CG 4.02Å; Y66-P74 HydrophobicContact CG-CG 4.41Å; W72-P74 HydrophobicContact CH2-CB 3.74Å; W72-P74 HydrophobicContact CH2-CG 4.33Å; W72-P74 HydrophobicContact CZ2-CB 4.25Å; W72-P74 HydrophobicContact CZ3-CB 4.28Å; W72-P74 HydrophobicContact CZ3-CG 4.39Å
75P95.6Very high94.3Very high51 Ų5183.8 Ų83.833%0.33147%0.468SS..PPolyproline II helixtrans-60.8155.7169.629.2-35.5000110.6
76R93.8Very high94.4Very high179 Ų17976.7 Ų76.768%0.67544%0.435SS*.PPolyproline II helixtrans-81.4134.6178.7-172.6175.5-179.9173-0.4110.4P78 G165R76-P78 CarbonylContact O-C 3.55Å; R76-G165 PolarHBondContact N-O 3.37Å
77D91.3Very high94.5Very high141 Ų14178.7 Ų78.775%0.75444%0.442SS*.SBendtrans-108.1127.6170.3-65.8-41.3000109.3
78P92.9Very high94.6Very high105 Ų10576.1 Ų76.168%0.68242%0.422SS*.SBendcis-73.4162-2.532.1-36000113.1R76R76-P78 CarbonylContact O-C 3.55Å
79P91.3Very high94.6Very high81 Ų8176.3 Ų76.353%0.52642%0.423SS..PPolyproline II helixtrans-54.8147.5174.3-24.934000112.2N81 F85P79-N81 PolarHBondContact O-N 2.81Å; P79-F85 HydrophobicContact CB-CD2 4.47Å; P79-F85 HydrophobicContact CB-CE2 4.03Å
80P91.6Very high94.6Very high36 Ų3677.3 Ų77.323%0.23441%0.408CS..PPolyproline II helixtrans-64.3138.5177.828.4-34.8000110.5L82 F166P80-L82 HydrophobicContact CB-CD1 4.01Å; P80-L82 HydrophobicContact CB-CG 4.16Å; P80-L82 HydrophobicContact CG-CD1 4.28Å; P80-L82 PolarHBondContact O-N 3.33Å; P80-F166 HydrophobicContact CG-CD1 3.81Å; P80-F166 HydrophobicContact CG-CE1 3.34Å; P80-F166 HydrophobicContact CG-CZ 3.78Å
81N92.8Very high94.8Very high169 Ų16977.4 Ų77.490%0.90440%0.399SS*.  trans-78.469.7176.6-171.417.6000110.4P79P79-N81 PolarHBondContact O-N 2.81Å
82L94.1Very high94.9Very high60 Ų6077.7 Ų77.731%0.31439%0.387SS..  trans-116.4154.2179.5-69.9173.7000109.9P80 Y84 K164 F166P80-L82 HydrophobicContact CB-CD1 4.01Å; P80-L82 HydrophobicContact CB-CG 4.16Å; P80-L82 HydrophobicContact CG-CD1 4.28Å; P80-L82 PolarHBondContact O-N 3.33Å; L82-Y84 PolarHBondContact O-N 3.23Å; L82-Y84 VanDerWaalsContact O-N 3.13Å; L82-K164 HydrophobicContact CD1-CD 4.16Å; L82-F166 HydrophobicContact CB-CZ 4.41Å; L82-F166 HydrophobicContact CD1-CE2 3.87Å; L82-F166 HydrophobicContact CD1-CZ 3.49Å; L82-F166 VanDerWaalsContact CD1-CZ 3.49Å
83P95.9Very high94.9Very high82 Ų8279.7 Ų79.753%0.53240%0.401SS..SBendtrans-69.1-9.2-179.829.4-35.5000113.2D116 A119P83-D116 HydrophobicContact CB-CB 4.15Å; P83-D116 PolarHBondContact O-N 2.91Å; P83-A119 HydrophobicContact CB-CB 4.49Å; P83-A119 HydrophobicContact CG-CB 3.69Å
84Y96.4Very high95Very high4 Ų477 Ų772%0.01639%0.389CS..EExtended strand (participates in β ladder)trans-132.6157.6176.161.8-95.9000111.3L82 E114 D116 A119 L120 D123 K164 F166L82-Y84 PolarHBondContact O-N 3.23Å; L82-Y84 VanDerWaalsContact O-N 3.13Å; Y84-E114 CarbonylContact C-O 3.27Å; Y84-E114 WeakPolarHBondContact CA-O 3.29Å; Y84-E114 WeakPolarHBondContact CB-O 3.4Å; Y84-D116 WeakPolarHBondContact CB-O 3.16Å; Y84-A119 HydrophobicContact CD1-CB 3.86Å; Y84-A119 HydrophobicContact CE1-CB 4.2Å; Y84-L120 HydrophobicContact CD1-CB 3.91Å; Y84-L120 HydrophobicContact CD2-CB 3.98Å; Y84-L120 HydrophobicContact CD2-CD1 3.94Å; Y84-L120 HydrophobicContact CD2-CG 4.4Å; Y84-L120 HydrophobicContact CE1-CB 4.04Å; Y84-L120 HydrophobicContact CE1-CD1 4.49Å; Y84-L120 HydrophobicContact CE2-CB 4.1Å; Y84-L120 HydrophobicContact CE2-CD1 3.42Å; Y84-L120 VanDerWaalsContact CE2-CD1 3.42Å; Y84-L120 HydrophobicContact CE2-CG 4.29Å; Y84-L120 HydrophobicContact CG-CB 3.89Å; Y84-D123 PolarHBondContact OH-OD2 3.41Å; Y84-K164 PolarHBondContact OH-NZ 3.15Å; Y84-F166 HydrophobicContact CD2-CE2 4.38Å; Y84-F166 AromaticContact CD2-CZ 3.95Å; Y84-F166 HydrophobicContact CD2-CZ 3.95Å; Y84-F166 AromaticContact CE2-CE2 3.72Å; Y84-F166 HydrophobicContact CE2-CE2 3.72Å; Y84-F166 AromaticContact CE2-CZ 3.67Å; Y84-F166 HydrophobicContact CE2-CZ 3.67Å
85F96.5Very high95.1Very high70 Ų7075.3 Ų75.331%0.30738%0.378SS..EExtended strand (participates in β ladder)trans-135.9134178.1-172.7-105000110.9P79 R87 E114 F166P79-F85 HydrophobicContact CB-CD2 4.47Å; P79-F85 HydrophobicContact CB-CE2 4.03Å; F85-R87 HydrophobicContact CD1-CG 3.69Å; F85-R87 HydrophobicContact CE1-CG 3.61Å; F85-E114 PolarHBondContact N-O 3.05Å; F85-E114 PolarHBondContact O-N 3.01Å; F85-F166 HydrophobicContact CB-CE1 4.49Å; F85-F166 AromaticContact CD2-CD1 3.72Å; F85-F166 HydrophobicContact CD2-CD1 3.72Å; F85-F166 AromaticContact CD2-CE1 3.66Å; F85-F166 HydrophobicContact CD2-CE1 3.66Å; F85-F166 AromaticContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CE1 4.25Å; F85-F166 HydrophobicContact CG-CD1 4.48Å; F85-F166 HydrophobicContact CG-CE1 4.37Å
86V97Very high95.2Very high1 Ų173 Ų731%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-106.3113.3177.2-177.20000109.3P95 I110 V113 L161 F166V86-P95 HydrophobicContact CG1-CG 3.48Å; V86-P95 VanDerWaalsContact CG1-CG 3.48Å; V86-I110 HydrophobicContact CG1-CG2 4.5Å; V86-V113 HydrophobicContact CG2-CG2 4.45Å; V86-L161 HydrophobicContact CG1-CD1 4.44Å; V86-L161 HydrophobicContact CG2-CD2 4.04Å; V86-F166 HydrophobicContact CB-CB 4.19Å; V86-F166 HydrophobicContact CB-CD1 4.4Å; V86-F166 HydrophobicContact CB-CG 4.18Å
87R96.3Very high95.4Very high128 Ų12869.1 Ų69.148%0.48335%0.349SS..PPolyproline II helixtrans-80.3140.3-178.4-71.4175.972174.910.2112.3F85 P95 K112 E114F85-R87 HydrophobicContact CD1-CG 3.69Å; F85-R87 HydrophobicContact CE1-CG 3.61Å; R87-P95 WeakPolarHBondContact O-CG 3.05Å; R87-K112 HydrophobicContact CB-CB 4.15Å; R87-K112 HydrophobicContact CB-CD 4.44Å; R87-K112 PolarHBondContact N-O 3.37Å; R87-K112 WeakPolarHBondContact O-CD 3.35Å; R87-E114 WeakPolarHBondContact CD-OE1 3.16Å; R87-E114 WeakPolarHBondContact CD-OE2 3.21Å; R87-E114 IonicContact CZ-OE1 3.7Å; R87-E114 IonicContact NE-OE1 2.75Å; R87-E114 IonicContact NH1-OE1 3.83Å; R87-E114 PolarHBondContact NH1-OE1 3.42Å
88R96.4Very high95.6Very high32 Ų3268.8 Ų68.812%0.12134%0.337CS..PPolyproline II helixtrans-60.1152.5170.2-62.7-62.2-175.2111-1.9112.5Q73 H92 K112 L162 F166Q73-R88 PolarHBondContact O-NH1 3.02Å; Q73-R88 PolarHBondContact O-NH2 3.08Å; Q73-R88 VanDerWaalsContact O-NH2 3.08Å; R88-H92 PolarHBondContact NH1-O 3.34Å; R88-K112 PolarHBondContact O-NZ 2.78Å; R88-L162 VanDerWaalsContact NH2-CD2 3.31Å; R88-F166 VanDerWaalsContact NE-C 3.29Å; R88-F166 PolarHBondContact NE-O 2.88Å; R88-F166 PolarHBondContact NE-OXT 2.8Å; R88-F166 PolarHBondContact NH2-O 3.02Å
89S96.4Very high95.8Very high16 Ų1666.4 Ų66.411%0.11232%0.319CS..PPolyproline II helixtrans-67.5171.6171.967.50000111.5M91 H92 N93S89-M91 PolarHBondContact O-N 3.15Å; S89-M91 VanDerWaalsContact O-N 3.15Å; S89-M91 PolarHBondContact OG-N 3.42Å; S89-H92 PolarHBondContact O-N 2.93Å; S89-N93 WeakPolarHBondContact CB-O 3.41Å; S89-N93 PolarHBondContact N-O 3.42Å; S89-N93 WeakPolarHBondContact OG-CB 3.35Å; S89-N93 PolarHBondContact OG-N 2.9Å; S89-N93 PolarHBondContact OG-O 3.45Å
90R95.9Very high96Very high171 Ų17166.8 Ų66.865%0.64532%0.316SS*.THydrogen-bonded Turntrans-60.7-2317677.5-177.6-54.2-125.2-0.8113.4I57 H92I57-R90 HydrophobicContact CD1-CB 4.09Å; I57-R90 HydrophobicContact CD1-CG 3.81Å; I57-R90 WeakPolarHBondContact CD1-O 3.44Å; R90-H92 VanDerWaalsContact C-N 3.34Å
91M96.2Very high96.1Very high103 Ų10367.3 Ų67.351%0.50732%0.318SS..THydrogen-bonded Turntrans-98.222.6177.4-56.1-57.4-172.700111.6I57 S89 N93I57-M91 HydrophobicContact CD1-CE 3.85Å; I57-M91 HydrophobicContact CD1-SD 3.52Å; I57-M91 VanDerWaalsContact CD1-SD 3.52Å; I57-M91 HydrophobicContact CG1-SD 4.34Å; I57-M91 HydrophobicContact CG2-SD 4.37Å; S89-M91 PolarHBondContact O-N 3.15Å; S89-M91 VanDerWaalsContact O-N 3.15Å; S89-M91 PolarHBondContact OG-N 3.42Å; M91-N93 PolarHBondContact O-N 3.45Å; M91-N93 PolarHBondContact O-ND2 2.89Å
92H95.9Very high96.1Very high52 Ų5267 Ų6724%0.24131%0.311CS..SBendtrans59.716.1178.7-48.4-81.9000116.1W72 R88 S89 R90W72-H92 HydrophobicContact CZ2-CB 4.05Å; W72-H92 PolarHBondContact NE1-O 3.47Å; R88-H92 PolarHBondContact NH1-O 3.34Å; S89-H92 PolarHBondContact O-N 2.93Å; R90-H92 VanDerWaalsContact C-N 3.34Å
93N95.9Very high96Very high81 Ų8167.3 Ų67.343%0.43333%0.328SS..  trans-94155.9177.1-63.4-43000113S89 M91S89-N93 WeakPolarHBondContact CB-O 3.41Å; S89-N93 PolarHBondContact N-O 3.42Å; S89-N93 WeakPolarHBondContact OG-CB 3.35Å; S89-N93 PolarHBondContact OG-N 2.9Å; S89-N93 PolarHBondContact OG-O 3.45Å; M91-N93 PolarHBondContact O-N 3.45Å; M91-N93 PolarHBondContact O-ND2 2.89Å
94V96.9Very high95.9Very high18 Ų1869.5 Ų69.511%0.10934%0.336CS..  trans-65.9130.3174.6-174.60000110.5V96 K158 L161 L162V94-V96 HydrophobicContact CG1-CG2 3.85Å; V94-V96 PolarHBondContact O-N 3.08Å; V94-K158 HydrophobicContact CB-CG 4.44Å; V94-K158 HydrophobicContact CG1-CG 4.47Å; V94-L161 HydrophobicContact CG1-CB 4Å; V94-L161 HydrophobicContact CG1-CD1 3.52Å; V94-L161 HydrophobicContact CG1-CG 4.42Å; V94-L162 HydrophobicContact CG2-CD2 3.78Å; V94-L162 HydrophobicContact CG2-CG 4.1Å
95P97.3Very high95.8Very high1 Ų175.6 Ų75.61%0.00636%0.358CS..  trans-82.152.1-170.937.5-41.5000113.9V86 R87 Y97 R111 K112V86-P95 HydrophobicContact CG1-CG 3.48Å; V86-P95 VanDerWaalsContact CG1-CG 3.48Å; R87-P95 WeakPolarHBondContact O-CG 3.05Å; P95-Y97 HydrophobicContact CB-CE2 4.12Å; P95-R111 HydrophobicContact CB-CB 4.32Å; P95-R111 WeakPolarHBondContact CB-O 3.32Å; P95-R111 WeakPolarHBondContact CG-O 3.41Å; P95-R111 PolarHBondContact O-N 3.08Å; P95-K112 HydrophobicContact CB-CD 4.22Å; P95-K112 HydrophobicContact CB-CG 4.39Å; P95-K112 HydrophobicContact CG-CB 4.35Å
96V98Very high95.8Very high2 Ų276.3 Ų76.31%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-109.4120.3177.9177.90000109.5V94 T108 I110 D154 L157 K158 L161V94-V96 HydrophobicContact CG1-CG2 3.85Å; V94-V96 PolarHBondContact O-N 3.08Å; V96-T108 HydrophobicContact CG1-CG2 3.65Å; V96-I110 HydrophobicContact CG2-CG1 4.3Å; V96-D154 HydrophobicContact CG1-CB 4.11Å; V96-L157 HydrophobicContact CG1-CB 4.19Å; V96-L157 HydrophobicContact CG2-CB 4.4Å; V96-K158 HydrophobicContact CB-CG 3.89Å; V96-K158 HydrophobicContact CG1-CG 4.31Å; V96-K158 HydrophobicContact CG2-CG 4.21Å; V96-K158 WeakPolarHBondContact O-CE 3.19Å; V96-L161 HydrophobicContact CG2-CD1 3.58Å
97Y97.6Very high95.8Very high99 Ų9976.8 Ų76.839%0.38837%0.365SS..EExtended strand (participates in β ladder)trans-129.9148.3-173.9-54.5-74.2000111.8P95 T108 V109 R111P95-Y97 HydrophobicContact CB-CE2 4.12Å; Y97-T108 CarbonylContact O-C 3.36Å; Y97-T108 WeakPolarHBondContact O-CA 3.22Å; Y97-V109 PolarHBondContact N-O 3.46Å; Y97-V109 PolarHBondContact O-N 3.11Å; Y97-R111 HydrophobicContact CD2-CG 4.25Å; Y97-R111 HydrophobicContact CE2-CG 4.42Å
98R97Very high95.9Very high134 Ų13470.7 Ų70.751%0.50634%0.342SS..EExtended strand (participates in β ladder)trans-84.5138.6167.1-63.6-178.7178.7165.83.2109Y152 D154R98-Y152 HydrophobicContact CB-CD1 4.2Å; R98-Y152 HydrophobicContact CB-CE1 4.03Å; R98-Y152 HydrophobicContact CG-CD1 3.85Å; R98-Y152 HydrophobicContact CG-CE1 4.13Å; R98-D154 HydrophobicContact CG-CB 3.93Å; R98-D154 IonicContact CZ-OD1 3.14Å; R98-D154 IonicContact CZ-OD2 3.39Å; R98-D154 IonicContact NE-OD1 2.8Å; R98-D154 PolarHBondContact NE-OD1 3.43Å; R98-D154 IonicContact NE-OD2 3.15Å; R98-D154 PolarHBondContact NE-OD2 3.28Å; R98-D154 VanDerWaalsContact NE-OD2 3.15Å; R98-D154 VanDerWaalsContact NH2-CG 3.3Å; R98-D154 IonicContact NH2-OD1 2.68Å; R98-D154 PolarHBondContact NH2-OD1 3.28Å; R98-D154 IonicContact NH2-OD2 3.2Å; R98-D154 PolarHBondContact NH2-OD2 2.99Å
99D95.8Very high96Very high54 Ų5469.7 Ų69.729%0.28934%0.339SS..EExtended strand (participates in β ladder)trans-130.1136.8174.7-177.815.3000108M107 V109 R148D99-M107 HydrophobicContact CB-CG 3.59Å; D99-M107 HydrophobicContact CB-SD 4.27Å; D99-M107 PolarHBondContact N-O 3.33Å; D99-M107 WeakPolarHBondContact O-CG 3.39Å; D99-M107 PolarHBondContact O-N 3.01Å; D99-M107 VanDerWaalsContact O-O 3.09Å; D99-V109 HydrophobicContact CB-CG2 3.75Å; D99-R148 IonicContact OD2-CZ 2.72Å; D99-R148 IonicContact OD2-NH1 3.62Å; D99-R148 PolarHBondContact OD2-NH1 3.39Å
100I95.8Very high96Very high90 Ų9068.9 Ų68.946%0.46233%0.334SS..EExtended strand (participates in β ladder)trans-128.9117.3-177.4-52.5173.7000107.1R105 Y152I100-R105 WeakPolarHBondContact CA-O 3.41Å; I100-Y152 WeakPolarHBondContact CD1-OH 3.45Å; I100-Y152 HydrophobicContact CG1-CE1 4.25Å; I100-Y152 WeakPolarHBondContact CG1-OH 3.31Å
101T94.1Very high96.1Very high47 Ų4767.4 Ų67.429%0.28833%0.328SS..EExtended strand (participates in β ladder)trans-110.9145175-320000110G103 N104 R105 M107T101-G103 PolarHBondContact O-N 2.98Å; T101-N104 PolarHBondContact O-N 2.86Å; T101-R105 PolarHBondContact N-O 3.37Å; T101-R105 VanDerWaalsContact O-CB 3.28Å; T101-R105 WeakPolarHBondContact O-CB 3.49Å; T101-R105 PolarHBondContact O-N 2.84Å; T101-M107 VanDerWaalsContact OG1-CE 3.3Å; T101-M107 WeakPolarHBondContact OG1-CE 3.25Å
102H92.6Very high96.1Very high163 Ų16366.7 Ų66.776%0.75532%0.322SS*.THydrogen-bonded Turntrans54.319176.9-4898.9000114.9N104H102-N104 PolarHBondContact O-N 3.26Å; H102-N104 PolarHBondContact O-OD1 2.99Å
103G91.8Very high96.2Very high65 Ų6564.8 Ų64.867%0.6731%0.314SS*.THydrogen-bonded Turntrans75.5-28.5-177.600000115.6T101T101-G103 PolarHBondContact O-N 2.98Å
104N94.3Very high96.2Very high129 Ų12965.1 Ų65.169%0.6931%0.313SS*.THydrogen-bonded Turntrans-109-22.4-175.464.4-4000114.3T101 H102 Q106T101-N104 PolarHBondContact O-N 2.86Å; H102-N104 PolarHBondContact O-N 3.26Å; H102-N104 PolarHBondContact O-OD1 2.99Å; N104-Q106 PolarHBondContact O-N 3.12Å
105R94.3Very high96.1Very high131 Ų13167.4 Ų67.449%0.49434%0.341SS..EExtended strand (participates in β ladder)trans-88.394.5-176.3-170.7-178-178.4176.9-0.8109.5I100 T101 M107I100-R105 WeakPolarHBondContact CA-O 3.41Å; T101-R105 PolarHBondContact N-O 3.37Å; T101-R105 VanDerWaalsContact O-CB 3.28Å; T101-R105 WeakPolarHBondContact O-CB 3.49Å; T101-R105 PolarHBondContact O-N 2.84Å; R105-M107 HydrophobicContact CG-CE 3.9Å
106Q96.1Very high96.1Very high85 Ų8570.9 Ų70.940%0.39736%0.359SS..EExtended strand (participates in β ladder)trans-87.5129.6176.9-58179.2-8.600110N104 G151 Y152N104-Q106 PolarHBondContact O-N 3.12Å; Q106-G151 PolarHBondContact O-N 3.02Å; Q106-Y152 HydrophobicContact CB-CD1 4.1Å; Q106-Y152 HydrophobicContact CB-CE1 3.65Å; Q106-Y152 HydrophobicContact CB-CE2 4.19Å; Q106-Y152 VanDerWaalsContact CD-CZ 3.45Å; Q106-Y152 HydrophobicContact CG-CE1 4.02Å; Q106-Y152 HydrophobicContact CG-CE2 3.91Å; Q106-Y152 WeakPolarHBondContact CG-OH 3.41Å
107M97.2Very high96Very high12 Ų1271.2 Ų71.26%0.05936%0.361CS..EExtended strand (participates in β ladder)trans-142.9157.4176.570.2-173.878.200111.5D99 T101 R105 V109 R148 I149 G151D99-M107 HydrophobicContact CB-CG 3.59Å; D99-M107 HydrophobicContact CB-SD 4.27Å; D99-M107 PolarHBondContact N-O 3.33Å; D99-M107 WeakPolarHBondContact O-CG 3.39Å; D99-M107 PolarHBondContact O-N 3.01Å; D99-M107 VanDerWaalsContact O-O 3.09Å; T101-M107 VanDerWaalsContact OG1-CE 3.3Å; T101-M107 WeakPolarHBondContact OG1-CE 3.25Å; R105-M107 HydrophobicContact CG-CE 3.9Å; M107-V109 HydrophobicContact CG-CG2 4.25Å; M107-R148 PolarHBondContact SD-NH1 3.2Å; M107-I149 CarbonylContact C-O 3.47Å; M107-I149 WeakPolarHBondContact CA-O 3.38Å; M107-I149 VanDerWaalsContact CB-O 3.28Å; M107-I149 WeakPolarHBondContact CB-O 3.17Å; M107-G151 CarbonylContact C-O 3.5Å; M107-G151 VanDerWaalsContact C-O 3.27Å; M107-G151 WeakPolarHBondContact CA-O 3.38Å
108T98.1Very high96Very high0 Ų073 Ų730%037%0.367CS..EExtended strand (participates in β ladder)trans-112.8133.3172.2-55.10000108.4V96 Y97 R148 I149 G151 Y152 F153 D154 L157V96-T108 HydrophobicContact CG1-CG2 3.65Å; Y97-T108 CarbonylContact O-C 3.36Å; Y97-T108 WeakPolarHBondContact O-CA 3.22Å; T108-R148 WeakPolarHBondContact O-CA 3.24Å; T108-I149 PolarHBondContact N-O 2.8Å; T108-I149 PolarHBondContact O-N 3.15Å; T108-G151 PolarHBondContact N-O 3.14Å; T108-G151 VanDerWaalsContact N-O 3.13Å; T108-G151 PolarHBondContact OG1-O 2.97Å; T108-Y152 WeakPolarHBondContact OG1-CA 3.37Å; T108-F153 PolarHBondContact OG1-N 3.18Å; T108-D154 HydrophobicContact CG2-CB 4.37Å; T108-L157 HydrophobicContact CG2-CD1 3.82Å
109V97.9Very high96Very high10 Ų1067.5 Ų67.56%0.06135%0.35CS..EExtended strand (participates in β ladder)trans-119.2119.7-175.4-171.40000109Y97 D99 M107 R111 L147 R148Y97-V109 PolarHBondContact N-O 3.46Å; Y97-V109 PolarHBondContact O-N 3.11Å; D99-V109 HydrophobicContact CB-CG2 3.75Å; M107-V109 HydrophobicContact CG-CG2 4.25Å; V109-R111 HydrophobicContact CG1-CG 3.93Å; V109-L147 WeakPolarHBondContact CA-O 3.42Å; V109-R148 HydrophobicContact CG1-CG 4.19Å; V109-R148 HydrophobicContact CG2-CG 4.14Å
110I97.8Very high96.1Very high0 Ų065 Ų650%034%0.336CS..EExtended strand (participates in β ladder)trans-93.3126.2167.4-52.4-178.2000107.3V86 V96 V113 V124 T146 L147 I149 L157V86-I110 HydrophobicContact CG1-CG2 4.5Å; V96-I110 HydrophobicContact CG2-CG1 4.3Å; I110-V113 HydrophobicContact CG2-CG2 3.84Å; I110-V124 HydrophobicContact CD1-CG2 4.38Å; I110-T146 VanDerWaalsContact O-CA 3.31Å; I110-T146 WeakPolarHBondContact O-CA 3.28Å; I110-L147 HydrophobicContact CB-CB 4.33Å; I110-L147 HydrophobicContact CD1-CD2 4.34Å; I110-L147 PolarHBondContact N-O 3.44Å; I110-L147 PolarHBondContact O-N 3.41Å; I110-I149 HydrophobicContact CD1-CD1 4.26Å; I110-L157 HydrophobicContact CD1-CD1 4.27Å
111R97.4Very high96.1Very high139 Ų13962.1 Ų62.153%0.52532%0.321SS..  trans-114.5168.8178.7-58179.268.3178.22.4110.3P95 Y97 V109 V113 T146P95-R111 HydrophobicContact CB-CB 4.32Å; P95-R111 WeakPolarHBondContact CB-O 3.32Å; P95-R111 WeakPolarHBondContact CG-O 3.41Å; P95-R111 PolarHBondContact O-N 3.08Å; Y97-R111 HydrophobicContact CD2-CG 4.25Å; Y97-R111 HydrophobicContact CE2-CG 4.42Å; V109-R111 HydrophobicContact CG1-CG 3.93Å; R111-V113 VanDerWaalsContact C-N 3.29Å; R111-V113 PolarHBondContact O-N 3Å; R111-T146 HydrophobicContact CG-CG2 4.24Å
112K96.6Very high96.3Very high89 Ų8966 Ų6639%0.38733%0.334SS..  trans60.239.4174-52.9-179.4158.7-144.90112.8R87 R88 P95 G145R87-K112 HydrophobicContact CB-CB 4.15Å; R87-K112 HydrophobicContact CB-CD 4.44Å; R87-K112 PolarHBondContact N-O 3.37Å; R87-K112 WeakPolarHBondContact O-CD 3.35Å; R88-K112 PolarHBondContact O-NZ 2.78Å; P95-K112 HydrophobicContact CB-CD 4.22Å; P95-K112 HydrophobicContact CB-CG 4.39Å; P95-K112 HydrophobicContact CG-CB 4.35Å; K112-G145 PolarHBondContact N-O 2.89Å
113V97.3Very high96.5Very high11 Ų1160.6 Ų60.67%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-83.6129.6170.7-174.90000107.8V86 I110 R111 I117 L120 G145V86-V113 HydrophobicContact CG2-CG2 4.45Å; I110-V113 HydrophobicContact CG2-CG2 3.84Å; R111-V113 VanDerWaalsContact C-N 3.29Å; R111-V113 PolarHBondContact O-N 3Å; V113-I117 HydrophobicContact CB-CD1 4.3Å; V113-I117 HydrophobicContact CG1-CB 4.39Å; V113-I117 HydrophobicContact CG1-CD1 4.36Å; V113-I117 HydrophobicContact CG1-CG1 4.16Å; V113-L120 HydrophobicContact CB-CD2 4.17Å; V113-L120 HydrophobicContact CG1-CD2 3.57Å; V113-L120 HydrophobicContact CG2-CD2 3.45Å; V113-L120 VanDerWaalsContact CG2-CD2 3.45Å; V113-G145 PolarHBondContact N-O 3.16Å; V113-G145 VanDerWaalsContact N-O 3.15Å
114E95.8Very high96.7Very high88 Ų8857.5 Ų57.541%0.41128%0.279SS..EExtended strand (participates in β ladder)trans-119.6153.4173.9-64.2-176.4172.600109.2Y84 F85 R87Y84-E114 CarbonylContact C-O 3.27Å; Y84-E114 WeakPolarHBondContact CA-O 3.29Å; Y84-E114 WeakPolarHBondContact CB-O 3.4Å; F85-E114 PolarHBondContact N-O 3.05Å; F85-E114 PolarHBondContact O-N 3.01Å; R87-E114 WeakPolarHBondContact CD-OE1 3.16Å; R87-E114 WeakPolarHBondContact CD-OE2 3.21Å; R87-E114 IonicContact CZ-OE1 3.7Å; R87-E114 IonicContact NE-OE1 2.75Å; R87-E114 IonicContact NH1-OE1 3.83Å; R87-E114 PolarHBondContact NH1-OE1 3.42Å
115G95.9Very high96.8Very high67 Ų6753.5 Ų53.569%0.69126%0.256SS*.EExtended strand (participates in β ladder)trans81.6-148.8-175.500000113.2I117G115-I117 PolarHBondContact O-N 2.96Å
116D96.5Very high96.9Very high73 Ų7351.8 Ų51.839%0.3926%0.257SS..  trans-77.998.7-175-175.75.1000112.6P83 Y84 W118 A119 L120P83-D116 HydrophobicContact CB-CB 4.15Å; P83-D116 PolarHBondContact O-N 2.91Å; Y84-D116 WeakPolarHBondContact CB-O 3.16Å; D116-W118 VanDerWaalsContact C-N 3.28Å; D116-W118 PolarHBondContact O-N 2.94Å; D116-W118 WeakPolarHBondContact OD1-CB 3.5Å; D116-W118 PolarHBondContact OD1-N 3.49Å; D116-A119 HydrophobicContact CB-CB 4.17Å; D116-A119 PolarHBondContact O-N 2.84Å; D116-A119 PolarHBondContact OD1-N 2.82Å; D116-L120 PolarHBondContact O-N 3.39Å
117I96.6Very high96.9Very high10 Ų1050.7 Ų50.75%0.05125%0.251CS..Hα-helixtrans-70.1-22.5179.6-165.2160000113.4V113 G115 L120 Q121 V140 E142V113-I117 HydrophobicContact CB-CD1 4.3Å; V113-I117 HydrophobicContact CG1-CB 4.39Å; V113-I117 HydrophobicContact CG1-CD1 4.36Å; V113-I117 HydrophobicContact CG1-CG1 4.16Å; G115-I117 PolarHBondContact O-N 2.96Å; I117-L120 PolarHBondContact O-N 2.92Å; I117-Q121 PolarHBondContact O-N 2.9Å; I117-V140 HydrophobicContact CB-CG1 4.3Å; I117-V140 HydrophobicContact CD1-CG1 3.96Å; I117-V140 HydrophobicContact CG1-CG1 3.94Å; I117-V140 HydrophobicContact CG2-CG1 3.41Å; I117-V140 VanDerWaalsContact CG2-CG1 3.41Å; I117-E142 HydrophobicContact CG2-CG 3.99Å
118W97.2Very high96.8Very high137 Ų13750.1 Ų50.152%0.51925%0.248SC..Hα-helixtrans-72.4-37.1177.6-62.796.3000110.9D116 L120 Q121 K122 E142D116-W118 VanDerWaalsContact C-N 3.28Å; D116-W118 PolarHBondContact O-N 2.94Å; D116-W118 WeakPolarHBondContact OD1-CB 3.5Å; D116-W118 PolarHBondContact OD1-N 3.49Å; W118-L120 VanDerWaalsContact C-N 3.34Å; W118-Q121 PolarHBondContact O-N 3.39Å; W118-K122 PolarHBondContact O-N 3.49Å; W118-E142 WeakPolarHBondContact CZ2-OE1 3.37Å; W118-E142 PolarHBondContact NE1-OE1 2.95Å
119A97.2Very high96.7Very high18 Ų1851.6 Ų51.615%0.14926%0.258CS..Hα-helixtrans-61.2-42.7170.300000111.6P83 Y84 D116 K122 D123P83-A119 HydrophobicContact CB-CB 4.49Å; P83-A119 HydrophobicContact CG-CB 3.69Å; Y84-A119 HydrophobicContact CD1-CB 3.86Å; Y84-A119 HydrophobicContact CE1-CB 4.2Å; D116-A119 HydrophobicContact CB-CB 4.17Å; D116-A119 PolarHBondContact O-N 2.84Å; D116-A119 PolarHBondContact OD1-N 2.82Å; A119-K122 PolarHBondContact O-N 2.96Å; A119-D123 WeakPolarHBondContact O-CB 3.3Å; A119-D123 PolarHBondContact O-N 3.13Å
120L96.8Very high96.5Very high0 Ų056.1 Ų56.10%029%0.288CS..Hα-helixtrans-63-43.4174.1176.267.8000111.9Y84 V113 D116 I117 W118 K122 D123 V124 L147 W160Y84-L120 HydrophobicContact CD1-CB 3.91Å; Y84-L120 HydrophobicContact CD2-CB 3.98Å; Y84-L120 HydrophobicContact CD2-CD1 3.94Å; Y84-L120 HydrophobicContact CD2-CG 4.4Å; Y84-L120 HydrophobicContact CE1-CB 4.04Å; Y84-L120 HydrophobicContact CE1-CD1 4.49Å; Y84-L120 HydrophobicContact CE2-CB 4.1Å; Y84-L120 HydrophobicContact CE2-CD1 3.42Å; Y84-L120 VanDerWaalsContact CE2-CD1 3.42Å; Y84-L120 HydrophobicContact CE2-CG 4.29Å; Y84-L120 HydrophobicContact CG-CB 3.89Å; V113-L120 HydrophobicContact CB-CD2 4.17Å; V113-L120 HydrophobicContact CG1-CD2 3.57Å; V113-L120 HydrophobicContact CG2-CD2 3.45Å; V113-L120 VanDerWaalsContact CG2-CD2 3.45Å; D116-L120 PolarHBondContact O-N 3.39Å; I117-L120 PolarHBondContact O-N 2.92Å; W118-L120 VanDerWaalsContact C-N 3.34Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.01Å; L120-D123 PolarHBondContact O-N 3.39Å; L120-V124 HydrophobicContact CD1-CG2 4.03Å; L120-V124 HydrophobicContact CG-CG2 4.34Å; L120-V124 WeakPolarHBondContact O-CB 3.26Å; L120-V124 VanDerWaalsContact O-CG2 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 2.84Å; L120-L147 HydrophobicContact CD2-CD2 4.36Å; L120-L147 HydrophobicContact CG-CD2 4.26Å; L120-W160 HydrophobicContact CD1-CH2 4.03Å; L120-W160 HydrophobicContact CD1-CZ3 3.96Å
121Q97.3Very high96.2Very high30 Ų3061 Ų6114%0.1431%0.314CS..Hα-helixtrans-57.5-49178.2179-164.7-11.600110.7I117 W118 V124 E125 T138 V140 L147I117-Q121 PolarHBondContact O-N 2.9Å; W118-Q121 PolarHBondContact O-N 3.39Å; Q121-V124 PolarHBondContact O-N 3.16Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.44Å; Q121-E125 PolarHBondContact NE2-OE1 2.65Å; Q121-E125 WeakPolarHBondContact O-CB 3.28Å; Q121-E125 WeakPolarHBondContact O-CG 3.17Å; Q121-E125 PolarHBondContact O-N 3.03Å; Q121-T138 HydrophobicContact CG-CG2 4.47Å; Q121-T138 PolarHBondContact NE2-OG1 3.46Å; Q121-V140 HydrophobicContact CB-CG2 4.05Å; Q121-V140 HydrophobicContact CG-CG2 4.09Å; Q121-L147 HydrophobicContact CB-CD1 4.09Å; Q121-L147 HydrophobicContact CG-CD1 4.14Å
122K97.4Very high95.9Very high128 Ų12857.4 Ų57.456%0.55730%0.304SS*.Hα-helixtrans-60.9-48.2179.5-173.6-176.1175.5-172.80111.6W118 A119 L120 V124 E125 D126W118-K122 PolarHBondContact O-N 3.49Å; A119-K122 PolarHBondContact O-N 2.96Å; L120-K122 VanDerWaalsContact C-N 3.34Å; L120-K122 PolarHBondContact O-N 3.01Å; K122-V124 VanDerWaalsContact C-N 3.25Å; K122-V124 PolarHBondContact O-N 2.75Å; K122-E125 PolarHBondContact O-N 2.76Å; K122-E125 VanDerWaalsContact O-N 3.13Å; K122-D126 PolarHBondContact O-N 2.81Å
123D96.6Very high95.7Very high50 Ų5056.7 Ų56.727%0.26732%0.322SS..Hα-helixtrans-58.6-37.4177.6-8825.1000112.4Y84 A119 L120 F127 W160 K164Y84-D123 PolarHBondContact OH-OD2 3.41Å; A119-D123 WeakPolarHBondContact O-CB 3.3Å; A119-D123 PolarHBondContact O-N 3.13Å; L120-D123 PolarHBondContact O-N 3.39Å; D123-F127 WeakPolarHBondContact O-CB 3.46Å; D123-F127 PolarHBondContact O-N 2.91Å; D123-F127 VanDerWaalsContact O-N 3.08Å; D123-W160 HydrophobicContact CB-CH2 3.89Å; D123-W160 HydrophobicContact CB-CZ2 3.89Å; D123-K164 IonicContact OD2-NZ 2.76Å; D123-K164 PolarHBondContact OD2-NZ 2.82Å
124V96.7Very high95.6Very high0 Ų063 Ų630%035%0.349CS..Hα-helixtrans-72.7-39.61761680000111.7I110 L120 Q121 K122 D126 F127 L128 L147 I149 L157 W160I110-V124 HydrophobicContact CD1-CG2 4.38Å; L120-V124 HydrophobicContact CD1-CG2 4.03Å; L120-V124 HydrophobicContact CG-CG2 4.34Å; L120-V124 WeakPolarHBondContact O-CB 3.26Å; L120-V124 VanDerWaalsContact O-CG2 3.26Å; L120-V124 WeakPolarHBondContact O-CG2 3.45Å; L120-V124 PolarHBondContact O-N 2.84Å; Q121-V124 PolarHBondContact O-N 3.16Å; K122-V124 VanDerWaalsContact C-N 3.25Å; K122-V124 PolarHBondContact O-N 2.75Å; V124-D126 VanDerWaalsContact C-N 3.34Å; V124-F127 PolarHBondContact O-N 2.84Å; V124-L128 HydrophobicContact CG1-CD1 3.73Å; V124-L128 HydrophobicContact CG1-CG 4.24Å; V124-L128 WeakPolarHBondContact O-CB 3.23Å; V124-L128 WeakPolarHBondContact O-CG 3.48Å; V124-L128 PolarHBondContact O-N 3.04Å; V124-L147 HydrophobicContact CB-CD2 4.31Å; V124-L147 HydrophobicContact CG1-CD2 4.42Å; V124-L147 HydrophobicContact CG2-CD2 4.15Å; V124-I149 HydrophobicContact CG1-CD1 3.63Å; V124-I149 HydrophobicContact CG1-CG1 4.39Å; V124-L157 HydrophobicContact CG1-CD2 4.06Å; V124-L157 HydrophobicContact CG2-CD2 4.29Å; V124-W160 HydrophobicContact CG2-CH2 3.75Å; V124-W160 HydrophobicContact CG2-CZ3 3.8Å
125E96.3Very high95.4Very high45 Ų4563.8 Ų63.821%0.2136%0.36CS..Hα-helixtrans-61.9-43.9174.8-78.6173-169.700111Q121 K122 F127 L128 S129 P136 T138Q121-E125 WeakPolarHBondContact CG-OE1 3.44Å; Q121-E125 PolarHBondContact NE2-OE1 2.65Å; Q121-E125 WeakPolarHBondContact O-CB 3.28Å; Q121-E125 WeakPolarHBondContact O-CG 3.17Å; Q121-E125 PolarHBondContact O-N 3.03Å; K122-E125 PolarHBondContact O-N 2.76Å; K122-E125 VanDerWaalsContact O-N 3.13Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 2.99Å; E125-L128 PolarHBondContact O-N 3.05Å; E125-S129 VanDerWaalsContact O-CB 3.22Å; E125-S129 WeakPolarHBondContact O-CB 3.28Å; E125-S129 PolarHBondContact O-N 3.08Å; E125-S129 PolarHBondContact O-OG 3.03Å; E125-P136 HydrophobicContact CB-CG 4.36Å; E125-P136 HydrophobicContact CG-CG 3.84Å; E125-T138 HydrophobicContact CG-CG2 3.98Å; E125-T138 PolarHBondContact OE1-OG1 2.79Å
126D96.4Very high95.4Very high96 Ų9661.1 Ų61.151%0.51333%0.33SS..Hα-helixtrans-64.5-37.5176.8-70.1-22.8000111.6K122 V124 P130K122-D126 PolarHBondContact O-N 2.81Å; V124-D126 VanDerWaalsContact C-N 3.34Å; D126-P130 WeakPolarHBondContact O-CD 3.48Å
127F96.2Very high95.4Very high62 Ų6262.4 Ų62.427%0.27234%0.341SS..Hα-helixtrans-70-41.5176.4175.8-109.1000113.3D123 V124 E125 L131 E156 L157 W160D123-F127 WeakPolarHBondContact O-CB 3.46Å; D123-F127 PolarHBondContact O-N 2.91Å; D123-F127 VanDerWaalsContact O-N 3.08Å; V124-F127 PolarHBondContact O-N 2.84Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 2.99Å; F127-L131 HydrophobicContact CE1-CD1 4.47Å; F127-E156 HydrophobicContact CE1-CB 4.17Å; F127-E156 HydrophobicContact CZ-CB 4.46Å; F127-L157 HydrophobicContact CD1-CD2 4.32Å; F127-W160 HydrophobicContact CB-CZ2 4.5Å; F127-W160 HydrophobicContact CD1-CB 4.49Å; F127-W160 HydrophobicContact CD1-CG 4.22Å; F127-W160 AromaticContact CD2-CD1 3.44Å; F127-W160 VanDerWaalsContact CD2-CD1 3.44Å; F127-W160 HydrophobicContact CD2-CG 4.16Å; F127-W160 AromaticContact CD2-NE1 3.72Å; F127-W160 HydrophobicContact CE1-CB 4.04Å; F127-W160 HydrophobicContact CE1-CG 4.23Å; F127-W160 HydrophobicContact CE2-CB 4.27Å; F127-W160 AromaticContact CE2-CD1 3.61Å; F127-W160 HydrophobicContact CE2-CG 4.17Å; F127-W160 AromaticContact CG-CD1 3.78Å; F127-W160 HydrophobicContact CG-CG 4.19Å; F127-W160 AromaticContact CG-NE1 3.82Å; F127-W160 HydrophobicContact CZ-CB 3.92Å; F127-W160 HydrophobicContact CZ-CG 4.2Å
128L95.9Very high95.5Very high0 Ų063.3 Ų63.30%035%0.347CS..Hα-helixtrans-87.5-22.9-174.7-66.4179.5000113.8V124 E125 L131 L132 P136 I149 F153V124-L128 HydrophobicContact CG1-CD1 3.73Å; V124-L128 HydrophobicContact CG1-CG 4.24Å; V124-L128 WeakPolarHBondContact O-CB 3.23Å; V124-L128 WeakPolarHBondContact O-CG 3.48Å; V124-L128 PolarHBondContact O-N 3.04Å; E125-L128 PolarHBondContact O-N 3.05Å; L128-L131 HydrophobicContact CD2-CD1 4.16Å; L128-L131 PolarHBondContact O-N 2.92Å; L128-L131 VanDerWaalsContact O-N 3.11Å; L128-L132 HydrophobicContact CB-CD1 4.44Å; L128-L132 PolarHBondContact O-N 3.15Å; L128-L132 VanDerWaalsContact O-N 3.08Å; L128-P136 HydrophobicContact CB-CB 4.48Å; L128-P136 HydrophobicContact CB-CG 4.03Å; L128-P136 HydrophobicContact CD1-CB 4.33Å; L128-P136 HydrophobicContact CD1-CG 4.26Å; L128-I149 HydrophobicContact CD1-CD1 4.42Å; L128-I149 HydrophobicContact CD1-CG2 3.86Å; L128-F153 HydrophobicContact CD1-CD2 3.96Å; L128-F153 HydrophobicContact CD1-CE2 4.38Å; L128-F153 HydrophobicContact CD1-CG 4.26Å; L128-F153 HydrophobicContact CD2-CB 4.15Å; L128-F153 HydrophobicContact CD2-CD1 4.18Å; L128-F153 HydrophobicContact CD2-CG 4.03Å
129S94.4Very high95.5Very high30 Ų3062 Ų6221%0.2135%0.346CS..Hα-helixtrans-57.5-42.6-178.6-67.50000113.5E125 L131 L132 G133E125-S129 VanDerWaalsContact O-CB 3.22Å; E125-S129 WeakPolarHBondContact O-CB 3.28Å; E125-S129 PolarHBondContact O-N 3.08Å; E125-S129 PolarHBondContact O-OG 3.03Å; S129-L131 VanDerWaalsContact C-N 3.33Å; S129-L131 PolarHBondContact O-N 3.5Å; S129-L132 PolarHBondContact O-N 3Å; S129-G133 WeakPolarHBondContact O-CA 3.48Å; S129-G133 PolarHBondContact O-N 3.03Å
130P95Very high95.5Very high106 Ų10662.6 Ų62.669%0.68835%0.348SS*.Hα-helixtrans-64.3-33.7174.7-23.234.6000113.9D126D126-P130 WeakPolarHBondContact O-CD 3.48Å
131L91.8Very high95.5Very high103 Ų10365.5 Ų65.554%0.53936%0.363SS..Hα-helixtrans-73.2-33.9-179.5-61.2179.7000112.2F127 L128 S129F127-L131 HydrophobicContact CE1-CD1 4.47Å; L128-L131 HydrophobicContact CD2-CD1 4.16Å; L128-L131 PolarHBondContact O-N 2.92Å; L128-L131 VanDerWaalsContact O-N 3.11Å; S129-L131 VanDerWaalsContact C-N 3.33Å; S129-L131 PolarHBondContact O-N 3.5Å
132L91.1Very high95.4Very high62 Ų6270 Ų7033%0.32538%0.384SS..Hα-helixtrans-98.7-17-175.6-67173.2000114.2L128 S129 K134 P136 F153L128-L132 HydrophobicContact CB-CD1 4.44Å; L128-L132 PolarHBondContact O-N 3.15Å; L128-L132 VanDerWaalsContact O-N 3.08Å; S129-L132 PolarHBondContact O-N 3Å; L132-K134 HydrophobicContact CB-CG 4.11Å; L132-K134 PolarHBondContact O-N 3.04Å; L132-P136 HydrophobicContact CD1-CB 4Å; L132-F153 HydrophobicContact CD1-CE1 4.2Å; L132-F153 HydrophobicContact CD1-CE2 4.24Å; L132-F153 HydrophobicContact CD1-CZ 3.61Å; L132-F153 HydrophobicContact CD2-CE1 3.81Å; L132-F153 HydrophobicContact CD2-CZ 3.72Å; L132-F153 HydrophobicContact CG-CE1 4.25Å; L132-F153 HydrophobicContact CG-CZ 4.1Å
133G92.3Very high95.4Very high74 Ų7470.6 Ų70.676%0.76340%0.398SS*.THydrogen-bonded Turntrans66.612.1-170.300000113.8S129S129-G133 WeakPolarHBondContact O-CA 3.48Å; S129-G133 PolarHBondContact O-N 3.03Å
134K93.4Very high95.3Very high144 Ų14472.1 Ų72.163%0.62641%0.41SS*.SBendtrans-156157.3179.464-175.1175.4-169.70110.3L132L132-K134 HydrophobicContact CB-CG 4.11Å; L132-K134 PolarHBondContact O-N 3.04Å
135T93.4Very high95.3Very high105 Ų10572.6 Ų72.664%0.64442%0.415SS*.  trans-63125.9173.753.60000110.2
136P95.2Very high95.3Very high10 Ų1071.2 Ų71.27%0.06541%0.409CS..  trans-66.7148.9178.130.2-36.2000110.4E125 L128 L132 T138 I149E125-P136 HydrophobicContact CB-CG 4.36Å; E125-P136 HydrophobicContact CG-CG 3.84Å; L128-P136 HydrophobicContact CB-CB 4.48Å; L128-P136 HydrophobicContact CB-CG 4.03Å; L128-P136 HydrophobicContact CD1-CB 4.33Å; L128-P136 HydrophobicContact CD1-CG 4.26Å; L132-P136 HydrophobicContact CD1-CB 4Å; P136-T138 HydrophobicContact CG-CG2 4.24Å; P136-T138 PolarHBondContact O-N 3.28Å; P136-I149 HydrophobicContact CB-CG2 4.22Å
137V96.8Very high95.4Very high101 Ų10166.7 Ų66.761%0.61239%0.385SS*.  trans-82.4110.8173.4-178.50000108.2K150V137-K150 HydrophobicContact CB-CB 4.12Å; V137-K150 HydrophobicContact CB-CD 4.41Å; V137-K150 PolarHBondContact O-N 3.49Å
138T97.4Very high95.5Very high29 Ų2967.7 Ų67.718%0.17839%0.387CS..EExtended strand (participates in β ladder)trans-109.1153.5-178.456.20000110.9Q121 E125 P136 R148 I149Q121-T138 HydrophobicContact CG-CG2 4.47Å; Q121-T138 PolarHBondContact NE2-OG1 3.46Å; E125-T138 HydrophobicContact CG-CG2 3.98Å; E125-T138 PolarHBondContact OE1-OG1 2.79Å; P136-T138 HydrophobicContact CG-CG2 4.24Å; P136-T138 PolarHBondContact O-N 3.28Å; T138-R148 CarbonylContact C-O 3.48Å; T138-R148 VanDerWaalsContact CA-O 3.29Å; T138-R148 WeakPolarHBondContact CA-O 3.4Å; T138-I149 HydrophobicContact CG2-CG1 4.27Å
139Q97.2Very high95.5Very high108 Ų10867.8 Ų67.851%0.50539%0.387SS..EExtended strand (participates in β ladder)trans-136.6118171.8178.3-168.36.600108.3R148Q139-R148 HydrophobicContact CB-CB 4.25Å; Q139-R148 PolarHBondContact N-O 2.68Å; Q139-R148 PolarHBondContact O-N 2.8Å
140V97.8Very high95.6Very high31 Ų3173.1 Ų73.119%0.18841%0.407CS..EExtended strand (participates in β ladder)trans-90.9138.9176.6175.60000110I117 Q121 E142 L147I117-V140 HydrophobicContact CB-CG1 4.3Å; I117-V140 HydrophobicContact CD1-CG1 3.96Å; I117-V140 HydrophobicContact CG1-CG1 3.94Å; I117-V140 HydrophobicContact CG2-CG1 3.41Å; I117-V140 VanDerWaalsContact CG2-CG1 3.41Å; Q121-V140 HydrophobicContact CB-CG2 4.05Å; Q121-V140 HydrophobicContact CG-CG2 4.09Å; V140-E142 HydrophobicContact CG1-CG 4.15Å; V140-L147 HydrophobicContact CG2-CD1 3.64Å
141N97.6Very high95.7Very high61 Ų6168.8 Ų68.833%0.32638%0.382SS..EExtended strand (participates in β ladder)trans-128.7104.4164-176.5-19.7000108.8V143 T144 G145 T146N141-V143 PolarHBondContact OD1-N 3.5Å; N141-V143 VanDerWaalsContact OD1-N 3.12Å; N141-T144 PolarHBondContact ND2-OG1 3.46Å; N141-T144 VanDerWaalsContact ND2-OG1 3.15Å; N141-T144 PolarHBondContact OD1-N 3.02Å; N141-T144 PolarHBondContact OD1-OG1 2.96Å; N141-G145 WeakPolarHBondContact O-CA 3.08Å; N141-G145 PolarHBondContact O-N 3.19Å; N141-T146 WeakPolarHBondContact CB-OG1 3.49Å; N141-T146 PolarHBondContact N-O 3.1Å; N141-T146 PolarHBondContact O-N 2.94Å
142E95.2Very high95.9Very high125 Ų12567.2 Ų67.258%0.58437%0.369SS*.THydrogen-bonded Turntrans-64.8-42.3-179.5-62.5-179.4170.200111.9I117 W118 V140 T144 G145I117-E142 HydrophobicContact CG2-CG 3.99Å; W118-E142 WeakPolarHBondContact CZ2-OE1 3.37Å; W118-E142 PolarHBondContact NE1-OE1 2.95Å; V140-E142 HydrophobicContact CG1-CG 4.15Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å; E142-G145 PolarHBondContact O-N 3.19Å
143V96Very high96.1Very high140 Ų14065.2 Ų65.285%0.84836%0.358SS*.THydrogen-bonded Turntrans-60.8-44-175.3179.90000111.2N141N141-V143 PolarHBondContact OD1-N 3.5Å; N141-V143 VanDerWaalsContact OD1-N 3.12Å
144T95.4Very high96.2Very high83 Ų8362.2 Ų62.251%0.50932%0.324SS..THydrogen-bonded Turntrans-92.8-5.5-179.958.10000113.8N141 E142 T146N141-T144 PolarHBondContact ND2-OG1 3.46Å; N141-T144 VanDerWaalsContact ND2-OG1 3.15Å; N141-T144 PolarHBondContact OD1-N 3.02Å; N141-T144 PolarHBondContact OD1-OG1 2.96Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å; T144-T146 WeakPolarHBondContact OG1-CG2 3.33Å; T144-T146 PolarHBondContact OG1-OG1 3.01Å; T144-T146 VanDerWaalsContact OG1-OG1 3.05Å
145G96.1Very high96.3Very high10 Ų1060.9 Ų60.910%0.10332%0.32CS..THydrogen-bonded Turntrans56.950.5-172.800000112.2K112 V113 N141 E142K112-G145 PolarHBondContact N-O 2.89Å; V113-G145 PolarHBondContact N-O 3.16Å; V113-G145 VanDerWaalsContact N-O 3.15Å; N141-G145 WeakPolarHBondContact O-CA 3.08Å; N141-G145 PolarHBondContact O-N 3.19Å; E142-G145 PolarHBondContact O-N 3.19Å
146T97.4Very high96.5Very high16 Ų1659.6 Ų59.610%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-126.7136.7-179.564.60000112.3I110 R111 N141 T144I110-T146 VanDerWaalsContact O-CA 3.31Å; I110-T146 WeakPolarHBondContact O-CA 3.28Å; R111-T146 HydrophobicContact CG-CG2 4.24Å; N141-T146 WeakPolarHBondContact CB-OG1 3.49Å; N141-T146 PolarHBondContact N-O 3.1Å; N141-T146 PolarHBondContact O-N 2.94Å; T144-T146 WeakPolarHBondContact OG1-CG2 3.33Å; T144-T146 PolarHBondContact OG1-OG1 3.01Å; T144-T146 VanDerWaalsContact OG1-OG1 3.05Å
147L97.9Very high96.6Very high0 Ų059.1 Ų59.10%030%0.304CS..EExtended strand (participates in β ladder)trans-113.2123.6172.7-17767.9000109V109 I110 L120 Q121 V124 V140 I149V109-L147 WeakPolarHBondContact CA-O 3.42Å; I110-L147 HydrophobicContact CB-CB 4.33Å; I110-L147 HydrophobicContact CD1-CD2 4.34Å; I110-L147 PolarHBondContact N-O 3.44Å; I110-L147 PolarHBondContact O-N 3.41Å; L120-L147 HydrophobicContact CD2-CD2 4.36Å; L120-L147 HydrophobicContact CG-CD2 4.26Å; Q121-L147 HydrophobicContact CB-CD1 4.09Å; Q121-L147 HydrophobicContact CG-CD1 4.14Å; V124-L147 HydrophobicContact CB-CD2 4.31Å; V124-L147 HydrophobicContact CG1-CD2 4.42Å; V124-L147 HydrophobicContact CG2-CD2 4.15Å; V140-L147 HydrophobicContact CG2-CD1 3.64Å; L147-I149 HydrophobicContact CD2-CD1 4.37Å; L147-I149 HydrophobicContact CD2-CG1 4.47Å; L147-I149 HydrophobicContact CG-CG1 4.27Å
148R97.8Very high96.5Very high84 Ų8457.4 Ų57.432%0.31729%0.288SS..EExtended strand (participates in β ladder)trans-107.5136175.7-62.6179.5171-92.50.4109.7D99 M107 T108 V109 T138 Q139D99-R148 IonicContact OD2-CZ 2.72Å; D99-R148 IonicContact OD2-NH1 3.62Å; D99-R148 PolarHBondContact OD2-NH1 3.39Å; M107-R148 PolarHBondContact SD-NH1 3.2Å; T108-R148 WeakPolarHBondContact O-CA 3.24Å; V109-R148 HydrophobicContact CG1-CG 4.19Å; V109-R148 HydrophobicContact CG2-CG 4.14Å; T138-R148 CarbonylContact C-O 3.48Å; T138-R148 VanDerWaalsContact CA-O 3.29Å; T138-R148 WeakPolarHBondContact CA-O 3.4Å; Q139-R148 HydrophobicContact CB-CB 4.25Å; Q139-R148 PolarHBondContact N-O 2.68Å; Q139-R148 PolarHBondContact O-N 2.8Å
149I97.6Very high96.5Very high1 Ų158.1 Ų58.11%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-129.6131.2-175.7-53.9158000108M107 T108 I110 V124 L128 P136 T138 L147 G151 F153 L157M107-I149 CarbonylContact C-O 3.47Å; M107-I149 WeakPolarHBondContact CA-O 3.38Å; M107-I149 VanDerWaalsContact CB-O 3.28Å; M107-I149 WeakPolarHBondContact CB-O 3.17Å; T108-I149 PolarHBondContact N-O 2.8Å; T108-I149 PolarHBondContact O-N 3.15Å; I110-I149 HydrophobicContact CD1-CD1 4.26Å; V124-I149 HydrophobicContact CG1-CD1 3.63Å; V124-I149 HydrophobicContact CG1-CG1 4.39Å; L128-I149 HydrophobicContact CD1-CD1 4.42Å; L128-I149 HydrophobicContact CD1-CG2 3.86Å; P136-I149 HydrophobicContact CB-CG2 4.22Å; T138-I149 HydrophobicContact CG2-CG1 4.27Å; L147-I149 HydrophobicContact CD2-CD1 4.37Å; L147-I149 HydrophobicContact CD2-CG1 4.47Å; L147-I149 HydrophobicContact CG-CG1 4.27Å; I149-G151 PolarHBondContact O-N 2.83Å; I149-F153 HydrophobicContact CG2-CD2 3.79Å; I149-F153 HydrophobicContact CG2-CE2 3.92Å; I149-L157 HydrophobicContact CD1-CD1 3.53Å
150K96.3Very high96.5Very high142 Ų14254 Ų5462%0.61728%0.277SS*.EExtended strand (participates in β ladder)trans-74.2117.9178.9-177.6179.2179.3-179.90111.2V137 F153V137-K150 HydrophobicContact CB-CB 4.12Å; V137-K150 HydrophobicContact CB-CD 4.41Å; V137-K150 PolarHBondContact O-N 3.49Å; K150-F153 VanDerWaalsContact O-CE2 3.26Å; K150-F153 WeakPolarHBondContact O-CE2 3.24Å
151G95.6Very high96.4Very high16 Ų1652.6 Ų52.617%0.16527%0.268CS..SBendtrans118173.4-177.400000113.3Q106 M107 T108 I149Q106-G151 PolarHBondContact O-N 3.02Å; M107-G151 CarbonylContact C-O 3.5Å; M107-G151 VanDerWaalsContact C-O 3.27Å; M107-G151 WeakPolarHBondContact CA-O 3.38Å; T108-G151 PolarHBondContact N-O 3.14Å; T108-G151 VanDerWaalsContact N-O 3.13Å; T108-G151 PolarHBondContact OG1-O 2.97Å; I149-G151 PolarHBondContact O-N 2.83Å
152Y96.3Very high96.2Very high69 Ų6951.6 Ų51.627%0.27126%0.263SS..  trans-98.8110.1173.7-67.4-35.3000110.6R98 I100 Q106 T108R98-Y152 HydrophobicContact CB-CD1 4.2Å; R98-Y152 HydrophobicContact CB-CE1 4.03Å; R98-Y152 HydrophobicContact CG-CD1 3.85Å; R98-Y152 HydrophobicContact CG-CE1 4.13Å; I100-Y152 WeakPolarHBondContact CD1-OH 3.45Å; I100-Y152 HydrophobicContact CG1-CE1 4.25Å; I100-Y152 WeakPolarHBondContact CG1-OH 3.31Å; Q106-Y152 HydrophobicContact CB-CD1 4.1Å; Q106-Y152 HydrophobicContact CB-CE1 3.65Å; Q106-Y152 HydrophobicContact CB-CE2 4.19Å; Q106-Y152 VanDerWaalsContact CD-CZ 3.45Å; Q106-Y152 HydrophobicContact CG-CE1 4.02Å; Q106-Y152 HydrophobicContact CG-CE2 3.91Å; Q106-Y152 WeakPolarHBondContact CG-OH 3.41Å; T108-Y152 WeakPolarHBondContact OG1-CA 3.37Å
153F96.1Very high96.2Very high20 Ų2052.8 Ų52.89%0.08827%0.268CS..  trans-13426.7177.8-50.4-63.7000110.3T108 L128 L132 I149 K150 Q155 E156 L157T108-F153 PolarHBondContact OG1-N 3.18Å; L128-F153 HydrophobicContact CD1-CD2 3.96Å; L128-F153 HydrophobicContact CD1-CE2 4.38Å; L128-F153 HydrophobicContact CD1-CG 4.26Å; L128-F153 HydrophobicContact CD2-CB 4.15Å; L128-F153 HydrophobicContact CD2-CD1 4.18Å; L128-F153 HydrophobicContact CD2-CG 4.03Å; L132-F153 HydrophobicContact CD1-CE1 4.2Å; L132-F153 HydrophobicContact CD1-CE2 4.24Å; L132-F153 HydrophobicContact CD1-CZ 3.61Å; L132-F153 HydrophobicContact CD2-CE1 3.81Å; L132-F153 HydrophobicContact CD2-CZ 3.72Å; L132-F153 HydrophobicContact CG-CE1 4.25Å; L132-F153 HydrophobicContact CG-CZ 4.1Å; I149-F153 HydrophobicContact CG2-CD2 3.79Å; I149-F153 HydrophobicContact CG2-CE2 3.92Å; K150-F153 VanDerWaalsContact O-CE2 3.26Å; K150-F153 WeakPolarHBondContact O-CE2 3.24Å; F153-Q155 PolarHBondContact O-N 2.98Å; F153-E156 VanDerWaalsContact CD1-OE2 3.24Å; F153-E156 WeakPolarHBondContact CD1-OE2 2.97Å; F153-L157 HydrophobicContact CB-CD1 3.85Å; F153-L157 HydrophobicContact CB-CG 4.05Å; F153-L157 WeakPolarHBondContact O-CB 3.45Å; F153-L157 WeakPolarHBondContact O-CD1 3.38Å; F153-L157 WeakPolarHBondContact O-CG 3.42Å; F153-L157 PolarHBondContact O-N 3.07Å
154D95Very high96.1Very high12 Ų1248.8 Ų48.86%0.06424%0.24CC..Hα-helixtrans-64.2-41.6-171.864.2-53.5000112.9V96 R98 T108 K158V96-D154 HydrophobicContact CG1-CB 4.11Å; R98-D154 HydrophobicContact CG-CB 3.93Å; R98-D154 IonicContact CZ-OD1 3.14Å; R98-D154 IonicContact CZ-OD2 3.39Å; R98-D154 IonicContact NE-OD1 2.8Å; R98-D154 PolarHBondContact NE-OD1 3.43Å; R98-D154 IonicContact NE-OD2 3.15Å; R98-D154 PolarHBondContact NE-OD2 3.28Å; R98-D154 VanDerWaalsContact NE-OD2 3.15Å; R98-D154 VanDerWaalsContact NH2-CG 3.3Å; R98-D154 IonicContact NH2-OD1 2.68Å; R98-D154 PolarHBondContact NH2-OD1 3.28Å; R98-D154 IonicContact NH2-OD2 3.2Å; R98-D154 PolarHBondContact NH2-OD2 2.99Å; T108-D154 HydrophobicContact CG2-CB 4.37Å; D154-K158 VanDerWaalsContact O-CB 3.28Å; D154-K158 WeakPolarHBondContact O-CB 3.47Å; D154-K158 WeakPolarHBondContact O-CD 3.41Å; D154-K158 WeakPolarHBondContact O-CG 3.43Å; D154-K158 PolarHBondContact O-N 3.18Å
155Q95.6Very high96Very high116 Ų11645.2 Ų45.254%0.54222%0.22SC..Hα-helixtrans-73.5-44.1-179.2-59.1-58.6-34.900111F153 K158 A159F153-Q155 PolarHBondContact O-N 2.98Å; Q155-K158 PolarHBondContact O-N 3.39Å; Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.05Å
156E96.3Very high95.8Very high78 Ų7844.9 Ų44.936%0.36422%0.215SC..Hα-helixtrans-60.4-47.9177.9-63.6161.1-165.900111F127 F153 K158 A159 W160F127-E156 HydrophobicContact CE1-CB 4.17Å; F127-E156 HydrophobicContact CZ-CB 4.46Å; F153-E156 VanDerWaalsContact CD1-OE2 3.24Å; F153-E156 WeakPolarHBondContact CD1-OE2 2.97Å; E156-K158 PolarHBondContact O-N 3.21Å; E156-A159 PolarHBondContact O-N 3.13Å; E156-W160 VanDerWaalsContact O-CB 3.32Å; E156-W160 WeakPolarHBondContact O-CB 3.29Å; E156-W160 PolarHBondContact O-N 2.88Å
157L96.8Very high95.7Very high0 Ų046.4 Ų46.40%022%0.221CC..Hα-helixtrans-69.6-32.6178.1-67.5168.5000112.5V96 T108 I110 V124 F127 I149 F153 L161V96-L157 HydrophobicContact CG1-CB 4.19Å; V96-L157 HydrophobicContact CG2-CB 4.4Å; T108-L157 HydrophobicContact CG2-CD1 3.82Å; I110-L157 HydrophobicContact CD1-CD1 4.27Å; V124-L157 HydrophobicContact CG1-CD2 4.06Å; V124-L157 HydrophobicContact CG2-CD2 4.29Å; F127-L157 HydrophobicContact CD1-CD2 4.32Å; I149-L157 HydrophobicContact CD1-CD1 3.53Å; F153-L157 HydrophobicContact CB-CD1 3.85Å; F153-L157 HydrophobicContact CB-CG 4.05Å; F153-L157 WeakPolarHBondContact O-CB 3.45Å; F153-L157 WeakPolarHBondContact O-CD1 3.38Å; F153-L157 WeakPolarHBondContact O-CG 3.42Å; F153-L157 PolarHBondContact O-N 3.07Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.05Å
158K96.4Very high95.6Very high64 Ų6448.8 Ų48.828%0.27823%0.233SC..Hα-helixtrans-64.3-49172.9-80.2169.3-174.91720111V94 V96 D154 Q155 E156 W160 L161 L162V94-K158 HydrophobicContact CB-CG 4.44Å; V94-K158 HydrophobicContact CG1-CG 4.47Å; V96-K158 HydrophobicContact CB-CG 3.89Å; V96-K158 HydrophobicContact CG1-CG 4.31Å; V96-K158 HydrophobicContact CG2-CG 4.21Å; V96-K158 WeakPolarHBondContact O-CE 3.19Å; D154-K158 VanDerWaalsContact O-CB 3.28Å; D154-K158 WeakPolarHBondContact O-CB 3.47Å; D154-K158 WeakPolarHBondContact O-CD 3.41Å; D154-K158 WeakPolarHBondContact O-CG 3.43Å; D154-K158 PolarHBondContact O-N 3.18Å; Q155-K158 PolarHBondContact O-N 3.39Å; E156-K158 PolarHBondContact O-N 3.21Å; K158-W160 VanDerWaalsContact C-N 3.34Å; K158-W160 PolarHBondContact O-N 2.5Å; K158-L161 PolarHBondContact O-N 3.01Å; K158-L162 WeakPolarHBondContact O-CB 3.21Å; K158-L162 VanDerWaalsContact O-CG 3.23Å; K158-L162 WeakPolarHBondContact O-CG 3.31Å; K158-L162 PolarHBondContact O-N 2.83Å
159A96.1Very high95.5Very high45 Ų4546.8 Ų46.837%0.37223%0.228SC..Hα-helixtrans-59-47.6177.800000110.8Q155 E156 L161 L162 E163Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.05Å; E156-A159 PolarHBondContact O-N 3.13Å; A159-L161 PolarHBondContact O-N 2.83Å; A159-L162 WeakPolarHBondContact O-CB 3.22Å; A159-L162 PolarHBondContact O-N 3.26Å; A159-L162 VanDerWaalsContact O-N 3.16Å; A159-E163 WeakPolarHBondContact O-CG 3.18Å; A159-E163 PolarHBondContact O-N 2.87Å
160W96.7Very high95.4Very high22 Ų2249.5 Ų49.58%0.08324%0.241CC..Hα-helixtrans-61.9-41.5179.118081.1000113.8L120 D123 V124 F127 E156 K158 L162 E163 K164L120-W160 HydrophobicContact CD1-CH2 4.03Å; L120-W160 HydrophobicContact CD1-CZ3 3.96Å; D123-W160 HydrophobicContact CB-CH2 3.89Å; D123-W160 HydrophobicContact CB-CZ2 3.89Å; V124-W160 HydrophobicContact CG2-CH2 3.75Å; V124-W160 HydrophobicContact CG2-CZ3 3.8Å; F127-W160 HydrophobicContact CB-CZ2 4.5Å; F127-W160 HydrophobicContact CD1-CB 4.49Å; F127-W160 HydrophobicContact CD1-CG 4.22Å; F127-W160 AromaticContact CD2-CD1 3.44Å; F127-W160 VanDerWaalsContact CD2-CD1 3.44Å; F127-W160 HydrophobicContact CD2-CG 4.16Å; F127-W160 AromaticContact CD2-NE1 3.72Å; F127-W160 HydrophobicContact CE1-CB 4.04Å; F127-W160 HydrophobicContact CE1-CG 4.23Å; F127-W160 HydrophobicContact CE2-CB 4.27Å; F127-W160 AromaticContact CE2-CD1 3.61Å; F127-W160 HydrophobicContact CE2-CG 4.17Å; F127-W160 AromaticContact CG-CD1 3.78Å; F127-W160 HydrophobicContact CG-CG 4.19Å; F127-W160 AromaticContact CG-NE1 3.82Å; F127-W160 HydrophobicContact CZ-CB 3.92Å; F127-W160 HydrophobicContact CZ-CG 4.2Å; E156-W160 VanDerWaalsContact O-CB 3.32Å; E156-W160 WeakPolarHBondContact O-CB 3.29Å; E156-W160 PolarHBondContact O-N 2.88Å; K158-W160 VanDerWaalsContact C-N 3.34Å; K158-W160 PolarHBondContact O-N 2.5Å; W160-L162 VanDerWaalsContact C-N 3.34Å; W160-E163 PolarHBondContact O-N 2.99Å; W160-K164 HydrophobicContact CH2-CD 4.19Å; W160-K164 HydrophobicContact CZ2-CD 4.14Å; W160-K164 HydrophobicContact CZ3-CD 4.42Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.08Å
161L96.1Very high95.3Very high0 Ų043.8 Ų43.80%022%0.218CC..Hα-helixtrans-66.8-36.4175.4-74.1174.1000112.1V86 V94 V96 L157 K158 A159 K164 G165 F166V86-L161 HydrophobicContact CG1-CD1 4.44Å; V86-L161 HydrophobicContact CG2-CD2 4.04Å; V94-L161 HydrophobicContact CG1-CB 4Å; V94-L161 HydrophobicContact CG1-CD1 3.52Å; V94-L161 HydrophobicContact CG1-CG 4.42Å; V96-L161 HydrophobicContact CG2-CD1 3.58Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 VanDerWaalsContact O-CG 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.05Å; K158-L161 PolarHBondContact O-N 3.01Å; A159-L161 PolarHBondContact O-N 2.83Å; L161-K164 PolarHBondContact O-N 2.94Å; L161-G165 PolarHBondContact O-N 2.83Å; L161-F166 HydrophobicContact CD2-CD2 3.82Å; L161-F166 HydrophobicContact CD2-CE2 4.4Å; L161-F166 PolarHBondContact O-N 3.47Å; L161-F166 VanDerWaalsContact O-N 3.12Å
162L95Very high95.3Very high40 Ų4045.6 Ų45.621%0.20922%0.221CC..Hα-helixtrans-66.2-40.1174.6-71.3172.2000111.6Q73 R88 V94 K158 A159 W160 K164 G165Q73-L162 HydrophobicContact CB-CD2 4.31Å; R88-L162 VanDerWaalsContact NH2-CD2 3.31Å; V94-L162 HydrophobicContact CG2-CD2 3.78Å; V94-L162 HydrophobicContact CG2-CG 4.1Å; K158-L162 WeakPolarHBondContact O-CB 3.21Å; K158-L162 VanDerWaalsContact O-CG 3.23Å; K158-L162 WeakPolarHBondContact O-CG 3.31Å; K158-L162 PolarHBondContact O-N 2.83Å; A159-L162 WeakPolarHBondContact O-CB 3.22Å; A159-L162 PolarHBondContact O-N 3.26Å; A159-L162 VanDerWaalsContact O-N 3.16Å; W160-L162 VanDerWaalsContact C-N 3.34Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.86Å; L162-G165 WeakPolarHBondContact O-CA 3.25Å; L162-G165 PolarHBondContact O-N 3.25Å
163E94.5Very high95.2Very high150 Ų15043.9 Ų43.970%0.70122%0.218SC*.Hα-helixtrans-61.7-39.5174.8-74.2172.7-172.500112.1A159 W160 G165A159-E163 WeakPolarHBondContact O-CG 3.18Å; A159-E163 PolarHBondContact O-N 2.87Å; W160-E163 PolarHBondContact O-N 2.99Å; E163-G165 PolarHBondContact O-N 3.48Å
164K93.5Very high95.2Very high56 Ų5645.8 Ų45.824%0.24323%0.228CC..Hα-helixtrans-69.1-16.1172.3-72.5-165.9-177-119.30113.5L82 Y84 D123 W160 L161 L162 F166L82-K164 HydrophobicContact CD1-CD 4.16Å; Y84-K164 PolarHBondContact OH-NZ 3.15Å; D123-K164 IonicContact OD2-NZ 2.76Å; D123-K164 PolarHBondContact OD2-NZ 2.82Å; W160-K164 HydrophobicContact CH2-CD 4.19Å; W160-K164 HydrophobicContact CZ2-CD 4.14Å; W160-K164 HydrophobicContact CZ3-CD 4.42Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.08Å; L161-K164 PolarHBondContact O-N 2.94Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.86Å; K164-F166 HydrophobicContact CB-CD2 3.68Å; K164-F166 HydrophobicContact CB-CE2 3.72Å; K164-F166 HydrophobicContact CD-CD2 4.43Å; K164-F166 HydrophobicContact CD-CE2 3.83Å; K164-F166 HydrophobicContact CG-CE2 4.43Å
165G92.9Very high95.2Very high9 Ų948.6 Ų48.69%0.09324%0.242CC..THydrogen-bonded Turntrans88.419.9176.500000115.2R76 L161 L162 E163R76-G165 PolarHBondContact N-O 3.37Å; L161-G165 PolarHBondContact O-N 2.83Å; L162-G165 WeakPolarHBondContact O-CA 3.25Å; L162-G165 PolarHBondContact O-N 3.25Å; E163-G165 PolarHBondContact O-N 3.48Å
166F92.3Very high95.1Very high3 Ų342.5 Ų42.51%0.01321%0.214CC..  trans-80.80175.7-65.7-64000113.1P80 L82 Y84 F85 V86 R88 L161 K164P80-F166 HydrophobicContact CG-CD1 3.81Å; P80-F166 HydrophobicContact CG-CE1 3.34Å; P80-F166 HydrophobicContact CG-CZ 3.78Å; L82-F166 HydrophobicContact CB-CZ 4.41Å; L82-F166 HydrophobicContact CD1-CE2 3.87Å; L82-F166 HydrophobicContact CD1-CZ 3.49Å; L82-F166 VanDerWaalsContact CD1-CZ 3.49Å; Y84-F166 HydrophobicContact CD2-CE2 4.38Å; Y84-F166 AromaticContact CD2-CZ 3.95Å; Y84-F166 HydrophobicContact CD2-CZ 3.95Å; Y84-F166 AromaticContact CE2-CE2 3.72Å; Y84-F166 HydrophobicContact CE2-CE2 3.72Å; Y84-F166 AromaticContact CE2-CZ 3.67Å; Y84-F166 HydrophobicContact CE2-CZ 3.67Å; F85-F166 HydrophobicContact CB-CE1 4.49Å; F85-F166 AromaticContact CD2-CD1 3.72Å; F85-F166 HydrophobicContact CD2-CD1 3.72Å; F85-F166 AromaticContact CD2-CE1 3.66Å; F85-F166 HydrophobicContact CD2-CE1 3.66Å; F85-F166 AromaticContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CD1 3.89Å; F85-F166 HydrophobicContact CE2-CE1 4.25Å; F85-F166 HydrophobicContact CG-CD1 4.48Å; F85-F166 HydrophobicContact CG-CE1 4.37Å; V86-F166 HydrophobicContact CB-CB 4.19Å; V86-F166 HydrophobicContact CB-CD1 4.4Å; V86-F166 HydrophobicContact CB-CG 4.18Å; R88-F166 VanDerWaalsContact NE-C 3.29Å; R88-F166 PolarHBondContact NE-O 2.88Å; R88-F166 PolarHBondContact NE-OXT 2.8Å; R88-F166 PolarHBondContact NH2-O 3.02Å; L161-F166 HydrophobicContact CD2-CD2 3.82Å; L161-F166 HydrophobicContact CD2-CE2 4.4Å; L161-F166 PolarHBondContact O-N 3.47Å; L161-F166 VanDerWaalsContact O-N 3.12Å; K164-F166 HydrophobicContact CB-CD2 3.68Å; K164-F166 HydrophobicContact CB-CE2 3.72Å; K164-F166 HydrophobicContact CD-CD2 4.43Å; K164-F166 HydrophobicContact CD-CE2 3.83Å; K164-F166 HydrophobicContact CG-CE2 4.43Å

Retrieved 166 of 166 residues in 69.8 ms (Link to these results)