X2JGK6_DROME Loading...

NADH-cytochrome b5 reductase

AlphaFold DB , UniProt , Accession X2JGK6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG5946, Length 330 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.7Very low50.6Low252 Ų252145 Ų145100%1.24176%0.76SS**  0111.70-85.6-174169.200108.9
2A42.4Very low52Low92 Ų92143.5 Ų143.576%0.7675%0.752SS**  trans-165.991.7152.100000106.4I4A2-I4 PolarHBondContact O-N 3.41Å
3R40.8Very low53.3Low248 Ų248136.8 Ų136.894%0.93673%0.73SS**  trans-71.4104.3167.3-81.2-179.1172.1177.2-2.8106.5V5R3-V5 PolarHBondContact O-N 2.94Å
4I46.5Very low54.6Low147 Ų147133.6 Ų133.675%0.75472%0.718SS**  trans-82105.9165.9-61.7176.4000105.4A2 E6A2-I4 PolarHBondContact O-N 3.41Å; I4-E6 PolarHBondContact O-N 3.14Å
5V48.4Very low55.6Low129 Ų129127.1 Ų127.178%0.78269%0.694SS**  trans-65.2100.9169.11770000106R3 S7R3-V5 PolarHBondContact O-N 2.94Å; V5-S7 PolarHBondContact O-N 3.29Å
6E48.4Very low57Low178 Ų178124.3 Ų124.383%0.83268%0.682SS**  trans-64108.5172.7-80.5-176.6160.500108.4I4 N8I4-E6 PolarHBondContact O-N 3.14Å; E6-N8 PolarHBondContact O-N 3.22Å
7S53.2Low58.2Low63 Ų63122.8 Ų122.844%0.44168%0.677SS.*  trans-69.9116-177.859.70000109.9V5 F9 V10V5-S7 PolarHBondContact O-N 3.29Å; S7-F9 PolarHBondContact O-N 2.88Å; S7-V10 PolarHBondContact O-N 2.63Å
8N55.6Low59.4Low144 Ų144119.4 Ų119.477%0.7767%0.668SS**THydrogen-bonded Turntrans-59.26.4167.9-73.5-27.4000114.4E6 P11E6-N8 PolarHBondContact O-N 3.22Å; N8-P11 WeakPolarHBondContact O-CD 3.31Å
9F57.4Low60.6Low162 Ų162118.7 Ų118.771%0.71167%0.667SS**Hα-helixtrans-74.4-28.4175.3-82.1-83.6000113S7 L12 A13S7-F9 PolarHBondContact O-N 2.88Å; F9-L12 PolarHBondContact O-N 3.03Å; F9-A13 VanDerWaalsContact O-CB 3.29Å; F9-A13 WeakPolarHBondContact O-CB 3.1Å; F9-A13 PolarHBondContact O-N 3.2Å
10V62.5Low61.8Low90 Ų90118.1 Ų118.155%0.54566%0.661SS.*Hα-helixtrans-64.9-49.3-175.4-175.90000112.3S7 L12 A13 V14S7-V10 PolarHBondContact O-N 2.63Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.21Å; V10-A13 PolarHBondContact O-N 2.95Å; V10-V14 HydrophobicContact CG1-CG2 4.36Å; V10-V14 VanDerWaalsContact O-CG2 3.22Å; V10-V14 WeakPolarHBondContact O-CG2 3.47Å; V10-V14 PolarHBondContact O-N 2.88Å
11P64.9Low62.8Low90 Ų90114.5 Ų114.558%0.58465%0.647SS**Hα-helixtrans-63.5-37.8178.4-14.726000112.4N8 V14 G15N8-P11 WeakPolarHBondContact O-CD 3.31Å; P11-V14 PolarHBondContact O-N 2.92Å; P11-G15 PolarHBondContact O-N 3.25Å
12L67Low64.9Low127 Ų127104 Ų10467%0.66560%0.603SS**Hα-helixtrans-67.3-43.8-179.5-144.593000111.2F9 V10 G15 V16F9-L12 PolarHBondContact O-N 3.03Å; V10-L12 VanDerWaalsContact C-N 3.31Å; V10-L12 PolarHBondContact O-N 3.21Å; L12-G15 PolarHBondContact O-N 2.81Å; L12-V16 WeakPolarHBondContact O-CG2 3.34Å; L12-V16 PolarHBondContact O-N 3.17Å
13A69Low66.8Low56 Ų56102.4 Ų102.446%0.46359%0.59SS.*Hα-helixtrans-63.5-43.2176.600000111.7F9 V10 G15 V16 V17F9-A13 VanDerWaalsContact O-CB 3.29Å; F9-A13 WeakPolarHBondContact O-CB 3.1Å; F9-A13 PolarHBondContact O-N 3.2Å; V10-A13 PolarHBondContact O-N 2.95Å; A13-G15 VanDerWaalsContact C-N 3.33Å; A13-G15 PolarHBondContact O-N 2.81Å; A13-V16 PolarHBondContact O-N 3.46Å; A13-V17 VanDerWaalsContact O-CG2 3.29Å; A13-V17 WeakPolarHBondContact O-CG2 3.42Å; A13-V17 PolarHBondContact O-N 3.25Å
14V72.3Confident68.9Low93 Ų9396.5 Ų96.556%0.56458%0.576SS**Hα-helixtrans-62.1-41.5176174.30000111.1V10 P11 V17 A18V10-V14 HydrophobicContact CG1-CG2 4.36Å; V10-V14 VanDerWaalsContact O-CG2 3.22Å; V10-V14 WeakPolarHBondContact O-CG2 3.47Å; V10-V14 PolarHBondContact O-N 2.88Å; P11-V14 PolarHBondContact O-N 2.92Å; V14-V17 PolarHBondContact O-N 3.39Å; V14-A18 WeakPolarHBondContact O-CB 3.38Å; V14-A18 PolarHBondContact O-N 3.04Å
15G69Low70.8Confident35 Ų3594.3 Ų94.336%0.36157%0.565SS.*Hα-helixtrans-61.6-45.8176.300000113.1P11 L12 A13 A18 V19P11-G15 PolarHBondContact O-N 3.25Å; L12-G15 PolarHBondContact O-N 2.81Å; A13-G15 VanDerWaalsContact C-N 3.33Å; A13-G15 PolarHBondContact O-N 2.81Å; G15-A18 PolarHBondContact O-N 2.85Å; G15-V19 WeakPolarHBondContact O-CG2 3.5Å; G15-V19 PolarHBondContact O-N 3.48Å; G15-V19 VanDerWaalsContact O-N 3.08Å
16V77.5Confident72.4Confident83 Ų8392.1 Ų92.150%0.50355%0.552SS.*Hα-helixtrans-64.5-42.6178.5174.10000111.4L12 A13 A18 V19 L20L12-V16 WeakPolarHBondContact O-CG2 3.34Å; L12-V16 PolarHBondContact O-N 3.17Å; A13-V16 PolarHBondContact O-N 3.46Å; V16-A18 PolarHBondContact O-N 3.01Å; V16-V19 PolarHBondContact O-N 3.36Å; V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 3.09Å
17V78.1Confident73.9Confident98 Ų9889 Ų8959%0.59454%0.537SS*.Hα-helixtrans-63.1-41.6177.7172.60000111.3A13 V14 L20 A21A13-V17 VanDerWaalsContact O-CG2 3.29Å; A13-V17 WeakPolarHBondContact O-CG2 3.42Å; A13-V17 PolarHBondContact O-N 3.25Å; V14-V17 PolarHBondContact O-N 3.39Å; V17-L20 PolarHBondContact O-N 3.44Å; V17-A21 WeakPolarHBondContact O-CB 3.35Å; V17-A21 PolarHBondContact O-N 3.26Å
18A79.3Confident75.3Confident63 Ų6393.2 Ų93.252%0.52154%0.544SS..Hα-helixtrans-64.8-41.317800000112.6V14 G15 V16 A21 G22V14-A18 WeakPolarHBondContact O-CB 3.38Å; V14-A18 PolarHBondContact O-N 3.04Å; G15-A18 PolarHBondContact O-N 2.85Å; V16-A18 PolarHBondContact O-N 3.01Å; A18-A21 PolarHBondContact O-N 2.92Å; A18-G22 PolarHBondContact O-N 3.14Å
19V82.9Confident76.6Confident106 Ų10691.4 Ų91.464%0.64253%0.534SS*.Hα-helixtrans-66.3-43.2177.3173.80000111.2G15 V16 G22 A23G15-V19 WeakPolarHBondContact O-CG2 3.5Å; G15-V19 PolarHBondContact O-N 3.48Å; G15-V19 VanDerWaalsContact O-N 3.08Å; V16-V19 PolarHBondContact O-N 3.36Å; V19-G22 PolarHBondContact O-N 3.28Å; V19-A23 WeakPolarHBondContact O-CB 3.32Å; V19-A23 PolarHBondContact O-N 3.08Å
20L84.2Confident77.6Confident105 Ų10590.3 Ų90.355%0.5554%0.535SS..Hα-helixtrans-64.2-43.3176.5-71.4173000111.8V16 V17 A23 L24V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 HydrophobicContact CG1-CG 4.41Å; V16-L20 WeakPolarHBondContact O-CG 3.34Å; V16-L20 PolarHBondContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 3.44Å; L20-A23 PolarHBondContact O-N 3.25Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.81Å
21A82.4Confident77.9Confident44 Ų4491.1 Ų91.136%0.36454%0.536SS..Hα-helixtrans-61.7-44175.400000111.5V17 A18 L24 I25V17-A21 WeakPolarHBondContact O-CB 3.35Å; V17-A21 PolarHBondContact O-N 3.26Å; A18-A21 PolarHBondContact O-N 2.92Å; A21-L24 PolarHBondContact O-N 2.64Å; A21-I25 WeakPolarHBondContact O-CD1 3.25Å; A21-I25 VanDerWaalsContact O-CG1 3.23Å; A21-I25 WeakPolarHBondContact O-CG1 3.41Å; A21-I25 PolarHBondContact O-N 2.87Å
22G81.8Confident77.4Confident32 Ų3292.4 Ų92.433%0.3353%0.532SS..Hα-helixtrans-60.5-46.2175.600000112.7A18 V19 L24 I25 V26A18-G22 PolarHBondContact O-N 3.14Å; V19-G22 PolarHBondContact O-N 3.28Å; G22-L24 PolarHBondContact O-N 3.38Å; G22-I25 PolarHBondContact O-N 3.43Å; G22-V26 WeakPolarHBondContact O-CG2 3.37Å; G22-V26 PolarHBondContact O-N 3.05Å
23A82.4Confident76.2Confident58 Ų5895.1 Ų95.148%0.47954%0.539SS..Hα-helixtrans-63-40.4177.600000112.3V19 L20 V26 H27V19-A23 WeakPolarHBondContact O-CB 3.32Å; V19-A23 PolarHBondContact O-N 3.08Å; L20-A23 PolarHBondContact O-N 3.25Å; A23-V26 PolarHBondContact O-N 3.15Å; A23-H27 VanDerWaalsContact O-CB 3.28Å; A23-H27 WeakPolarHBondContact O-CB 3.4Å; A23-H27 PolarHBondContact O-N 3.12Å
24L85Confident75.1Confident123 Ų12396.7 Ų96.764%0.64455%0.547SS*.Hα-helixtrans-66.1-39.5175.6-72.2171.5000112.2L20 A21 G22 Y28L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 2.81Å; A21-L24 PolarHBondContact O-N 2.64Å; G22-L24 PolarHBondContact O-N 3.38Å; L24-Y28 VanDerWaalsContact O-CB 3.24Å; L24-Y28 WeakPolarHBondContact O-CB 3.46Å; L24-Y28 PolarHBondContact O-N 3.1Å
25I84.7Confident73.7Confident102 Ų10298 Ų9852%0.52356%0.555SS.*Hα-helixtrans-65.3-46.6175.6-68.9163.5000110.5A21 G22 Y28 L29A21-I25 WeakPolarHBondContact O-CD1 3.25Å; A21-I25 VanDerWaalsContact O-CG1 3.23Å; A21-I25 WeakPolarHBondContact O-CG1 3.41Å; A21-I25 PolarHBondContact O-N 2.87Å; G22-I25 PolarHBondContact O-N 3.43Å; I25-Y28 PolarHBondContact O-N 2.82Å; I25-L29 HydrophobicContact CG2-CD1 3.88Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 VanDerWaalsContact O-CG 3.26Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 3.33Å
26V82.4Confident72.3Confident82 Ų82104.3 Ų104.350%0.49757%0.572SS.*Hα-helixtrans-62.8-44.7177.6172.60000110.7G22 A23 Y28 L29 L30G22-V26 WeakPolarHBondContact O-CG2 3.37Å; G22-V26 PolarHBondContact O-N 3.05Å; A23-V26 PolarHBondContact O-N 3.15Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 2.87Å; V26-L29 PolarHBondContact O-N 2.97Å; V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.24Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 WeakPolarHBondContact O-CG 3.45Å; V26-L30 PolarHBondContact O-N 2.79Å
27H81.1Confident70.6Confident113 Ų113105.9 Ų105.952%0.52358%0.584SS.*Hα-helixtrans-60.5-44.4175.5-172.477.9000111.4A23 L29 L30 N31A23-H27 VanDerWaalsContact O-CB 3.28Å; A23-H27 WeakPolarHBondContact O-CB 3.4Å; A23-H27 PolarHBondContact O-N 3.12Å; H27-L29 PolarHBondContact O-N 3.35Å; H27-L30 PolarHBondContact O-N 3.34Å; H27-N31 PolarHBondContact CE1-ND2 3.44Å; H27-N31 PolarHBondContact NE2-ND2 2.91Å; H27-N31 VanDerWaalsContact O-CB 3.31Å; H27-N31 WeakPolarHBondContact O-CB 3.36Å; H27-N31 PolarHBondContact O-N 3.26Å
28Y82.2Confident68.9Low151 Ų151112.7 Ų112.759%0.59260%0.599SS**Hα-helixtrans-61.4-41.6175.9178.9-97.6000112L24 I25 V26 N31 K32L24-Y28 VanDerWaalsContact O-CB 3.24Å; L24-Y28 WeakPolarHBondContact O-CB 3.46Å; L24-Y28 PolarHBondContact O-N 3.1Å; I25-Y28 PolarHBondContact O-N 2.82Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 2.87Å; Y28-N31 CarbonylContact O-C 3.58Å; Y28-K32 HydrophobicContact CE1-CD 4.36Å; Y28-K32 VanDerWaalsContact O-CB 3.31Å; Y28-K32 WeakPolarHBondContact O-CB 3.45Å; Y28-K32 PolarHBondContact O-N 2.8Å
29L81.7Confident67.1Low107 Ų107120.9 Ų120.956%0.5662%0.616SS**Hα-helixtrans-70.1-39.5178.9-70.1173.1000112.6I25 V26 H27 K32I25-L29 HydrophobicContact CG2-CD1 3.88Å; I25-L29 HydrophobicContact CG2-CG 4.35Å; I25-L29 WeakPolarHBondContact O-CB 3.45Å; I25-L29 VanDerWaalsContact O-CG 3.26Å; I25-L29 WeakPolarHBondContact O-CG 3.41Å; I25-L29 PolarHBondContact O-N 3.33Å; V26-L29 PolarHBondContact O-N 2.97Å; H27-L29 PolarHBondContact O-N 3.35Å; L29-K32 PolarHBondContact O-N 2.9Å
30L78.4Confident65.2Low139 Ų139124 Ų12473%0.72862%0.624SS**Hα-helixtrans-70.7-39.1176.3-69.8173.6000112.1V26 H27 K32V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.24Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 WeakPolarHBondContact O-CG 3.45Å; V26-L30 PolarHBondContact O-N 2.79Å; H27-L30 PolarHBondContact O-N 3.34Å; L30-K32 VanDerWaalsContact C-N 3.33Å
31N69.6Low63.3Low106 Ų106124.4 Ų124.457%0.56763%0.633SS**SBendtrans-88.84.5176.8-87-5.6000113.9H27 Y28 K33H27-N31 PolarHBondContact CE1-ND2 3.44Å; H27-N31 PolarHBondContact NE2-ND2 2.91Å; H27-N31 VanDerWaalsContact O-CB 3.31Å; H27-N31 WeakPolarHBondContact O-CB 3.36Å; H27-N31 PolarHBondContact O-N 3.26Å; Y28-N31 CarbonylContact O-C 3.58Å; N31-K33 PolarHBondContact O-N 2.99Å
32K53.7Low61.4Low117 Ų117128 Ų12851%0.50965%0.646SS.*  trans-67.883.2168.2-159.6173.4-173.5177.10107.4Y28 L29 L30 S34Y28-K32 HydrophobicContact CE1-CD 4.36Å; Y28-K32 VanDerWaalsContact O-CB 3.31Å; Y28-K32 WeakPolarHBondContact O-CB 3.45Å; Y28-K32 PolarHBondContact O-N 2.8Å; L29-K32 PolarHBondContact O-N 2.9Å; L30-K32 VanDerWaalsContact C-N 3.33Å; K32-S34 PolarHBondContact O-N 2.69Å
33K41.6Very low59.7Low184 Ų184138.7 Ų138.780%0.868%0.676SS**  trans-43.6118.9162.3-77.9-177.2177.8177.60105.4N31 T35N31-K33 PolarHBondContact O-N 2.99Å; K33-T35 VanDerWaalsContact C-N 3.29Å; K33-T35 PolarHBondContact O-N 2.68Å
34S46Very low58.3Low90 Ų90141 Ų14163%0.62969%0.685SS**  trans-54.499.9178.9-171.60000107.6K32 K36K32-S34 PolarHBondContact O-N 2.69Å; S34-K36 PolarHBondContact O-N 2.79Å
35T42.6Very low57.5Low119 Ų119138.5 Ų138.573%0.7368%0.682SS**  trans-7650.5167.156.70000107.4K33 P37K33-T35 VanDerWaalsContact C-N 3.29Å; K33-T35 PolarHBondContact O-N 2.68Å; T35-P37 WeakPolarHBondContact O-CD 3.37Å
36K41.5Very low57.3Low169 Ų169139.7 Ų139.774%0.73568%0.68SS**  trans-64.6118.2150.6-80-179.6179.9-179.80103.2S34 R38S34-K36 PolarHBondContact O-N 2.79Å; K36-R38 PolarHBondContact O-N 3.5Å
37P40.7Very low57.9Low115 Ų115140.1 Ų140.175%0.74768%0.679SS**  trans-48.5126.6171.619.1-29.3000106.2T35 R39T35-P37 WeakPolarHBondContact O-CD 3.37Å; P37-R39 VanDerWaalsContact C-N 3.29Å; P37-R39 PolarHBondContact O-N 3.18Å
38R43.2Very low58.6Low242 Ų242142.3 Ų142.391%0.91368%0.682SS**  trans-49.7107.2167.9-176.8177.5-178.8167.5-0103.3K36 E40K36-R38 PolarHBondContact O-N 3.5Å; R38-E40 VanDerWaalsContact C-N 3.35Å; R38-E40 PolarHBondContact O-N 2.8Å
39R41.1Very low59.4Low234 Ų234135.3 Ų135.388%0.88366%0.655SS**  trans-49.5110.8179.4-95.6-178.8164.5179.9-4.6104.2P37 P41P37-R39 VanDerWaalsContact C-N 3.29Å; P37-R39 PolarHBondContact O-N 3.18Å; R39-P41 VanDerWaalsContact O-N 3.1Å
40E42.3Very low60.1Low172 Ų172130.7 Ų130.780%0.80463%0.631SS**  trans-51.2125164.3-73-173.8157.600104.3R38 N42R38-E40 VanDerWaalsContact C-N 3.35Å; R38-E40 PolarHBondContact O-N 2.8Å; E40-N42 PolarHBondContact O-N 3.21Å
41P43.9Very low60.9Low113 Ų113129.6 Ų129.673%0.73463%0.63SS**  trans-51.8118177.218.3-27.9000105.4R39 R43R39-P41 VanDerWaalsContact O-N 3.1Å; P41-R43 VanDerWaalsContact C-N 3.33Å; P41-R43 PolarHBondContact O-N 3.02Å
42N43.5Very low62.2Low120 Ų120127.3 Ų127.364%0.64262%0.618SS**  trans-50.5100.9-171.7-15410.2000106.2E40 T44 A45E40-N42 PolarHBondContact O-N 3.21Å; N42-T44 PolarHBondContact O-N 2.78Å; N42-T44 PolarHBondContact OD1-OG1 3.09Å; N42-T44 VanDerWaalsContact OD1-OG1 3.06Å; N42-A45 HydrophobicContact CB-CB 4.23Å; N42-A45 PolarHBondContact O-N 2.82Å
43R45.5Very low64.1Low256 Ų256124.4 Ų124.497%0.96661%0.611SS**THydrogen-bonded Turntrans-60.2-9.4-173.5-90.8-179.2167.4-176.8-2.9111.9P41P41-R43 VanDerWaalsContact C-N 3.33Å; P41-R43 PolarHBondContact O-N 3.02Å
44T54.4Low66.7Low108 Ų108120.8 Ų120.866%0.66360%0.6SS**THydrogen-bonded Turntrans-94.9-10.3178.153.10000114.5N42 R46N42-T44 PolarHBondContact O-N 2.78Å; N42-T44 PolarHBondContact OD1-OG1 3.09Å; N42-T44 VanDerWaalsContact OD1-OG1 3.06Å; T44-R46 PolarHBondContact O-N 3.36Å
45A67.2Low69.2Low69 Ų69120.5 Ų120.557%0.5759%0.592SS**  trans-75.196.2177.500000109.5N42N42-A45 HydrophobicContact CB-CB 4.23Å; N42-A45 PolarHBondContact O-N 2.82Å
46R80.8Confident71.8Confident127 Ų127121 Ų12148%0.47958%0.584SS.*  trans-55.6139.3174.2-62.8-174.6-177.1-159.6-6.8109.9T44 R48 V84 D114 E115T44-R46 PolarHBondContact O-N 3.36Å; R46-R48 PolarHBondContact O-N 3.4Å; R46-V84 HydrophobicContact CB-CG1 4.1Å; R46-V84 HydrophobicContact CB-CG2 4.14Å; R46-V84 VanDerWaalsContact CD-CG1 3.49Å; R46-V84 HydrophobicContact CG-CG1 4.39Å; R46-D114 PolarHBondContact NH1-O 2.91Å; R46-E115 PolarHBondContact NH1-O 3.48Å
47L95Very high74.5Confident92 Ų92114.8 Ų114.848%0.48256%0.556SS.*EExtended strand (participates in β ladder)trans-65133.7174.7-61174.3000108.8Q82 H83 V84L47-Q82 HydrophobicContact CD1-CB 4.34Å; L47-H83 HydrophobicContact CB-CB 4.47Å; L47-H83 VanDerWaalsContact CD1-CE1 3.43Å; L47-H83 WeakPolarHBondContact CD1-CE1 3.1Å; L47-H83 CarbonylContact O-C 3.54Å; L47-H83 VanDerWaalsContact O-CA 3.26Å; L47-H83 WeakPolarHBondContact O-CA 3.42Å; L47-V84 WeakPolarHBondContact O-CG2 3.32Å; L47-V84 PolarHBondContact O-N 3.21Å
48R96.5Very high77.2Confident158 Ų158114.7 Ų114.760%0.59655%0.549SS*.EExtended strand (participates in β ladder)trans-107.9135.4-178.4-67.8-176.7175.4-169.6-3.8110R46 V51 V84R46-R48 PolarHBondContact O-N 3.4Å; R48-V51 WeakPolarHBondContact O-CG2 3.5Å; R48-V84 HydrophobicContact CG-CG2 4.07Å
49T97.9Very high79.9Confident4 Ų4103.4 Ų103.43%0.02551%0.506CS..SBendtrans-79.1-49.4179.6-550000111.1V51 Y57 L59 L78 P79 V84 L85T49-V51 PolarHBondContact O-N 2.81Å; T49-Y57 HydrophobicContact CG2-CD1 4.27Å; T49-Y57 HydrophobicContact CG2-CG 4.3Å; T49-Y57 WeakPolarHBondContact O-CE1 3.4Å; T49-L59 HydrophobicContact CG2-CD2 4.35Å; T49-L78 HydrophobicContact CG2-CD2 4.28Å; T49-P79 HydrophobicContact CG2-CG 3.93Å; T49-P79 WeakPolarHBondContact OG1-CD 3.35Å; T49-V84 PolarHBondContact N-O 3.05Å; T49-V84 PolarHBondContact OG1-O 2.75Å; T49-L85 PolarHBondContact N-O 2.97Å
50L97.1Very high82.6Confident11 Ų1193.9 Ų93.96%0.05848%0.475CS..  trans-82.582.4-179-58.1179000110.8Y57 L85 L87 I93 P159L50-Y57 HydrophobicContact CD2-CD2 3.77Å; L50-Y57 HydrophobicContact CD2-CE2 3.93Å; L50-L85 WeakPolarHBondContact CB-O 3.1Å; L50-L85 HydrophobicContact CD1-CD1 3.92Å; L50-L85 HydrophobicContact CD1-CD2 4.27Å; L50-L85 HydrophobicContact CD1-CG 3.76Å; L50-L85 HydrophobicContact CD2-CD1 4.25Å; L50-L85 HydrophobicContact CG-CD1 3.85Å; L50-L85 HydrophobicContact CG-CG 4.08Å; L50-L85 WeakPolarHBondContact CG-O 3.42Å; L50-L85 PolarHBondContact N-O 2.87Å; L50-L87 HydrophobicContact CD1-CB 4.2Å; L50-L87 HydrophobicContact CD1-CD1 4.17Å; L50-I93 HydrophobicContact CD1-CG2 3.57Å; L50-I93 HydrophobicContact CD2-CG2 4.47Å; L50-P159 HydrophobicContact CD1-CB 4.34Å
51V95.6Very high85.3Confident116 Ų11685.8 Ų85.870%0.70344%0.437SS*.  trans-88-44.9-179.8-178.10000111.5R48 T49 Y57R48-V51 WeakPolarHBondContact O-CG2 3.5Å; T49-V51 PolarHBondContact O-N 2.81Å; V51-Y57 PolarHBondContact N-OH 2.87Å; V51-Y57 VanDerWaalsContact N-OH 3.1Å
52D95.7Very high87.9Confident58 Ų5883.6 Ų83.631%0.3142%0.419SS..  trans-115.9124.3176.5-169.8-41000110N54 D55 Y57D52-N54 PolarHBondContact O-N 2.83Å; D52-N54 VanDerWaalsContact O-N 3.09Å; D52-N54 WeakPolarHBondContact OD1-CB 3.16Å; D52-N54 PolarHBondContact OD1-N 2.84Å; D52-N54 PolarHBondContact OD1-ND2 3.35Å; D52-D55 HydrophobicContact CB-CB 4.01Å; D52-D55 PolarHBondContact O-N 3.35Å; D52-Y57 PolarHBondContact N-OH 3.37Å; D52-Y57 PolarHBondContact O-OH 2.83Å
53P94.8Very high90.5Very high56 Ų5681.2 Ų81.236%0.36440%0.404SS..THydrogen-bonded Turntrans-63.3-12.3178.427.4-35.9000115.6R157 G158 P159P53-R157 VanDerWaalsContact O-CG 3.26Å; P53-R157 WeakPolarHBondContact O-CG 3.38Å; P53-G158 VanDerWaalsContact CA-O 3.31Å; P53-G158 WeakPolarHBondContact CA-O 3.49Å; P53-P159 WeakPolarHBondContact CB-O 3.21Å
54N95.5Very high93.1Very high108 Ų10872.4 Ų72.458%0.57837%0.372SS*.THydrogen-bonded Turntrans-100.4-19.3179.7-52.3-64.5000112.9D52D52-N54 PolarHBondContact O-N 2.83Å; D52-N54 VanDerWaalsContact O-N 3.09Å; D52-N54 WeakPolarHBondContact OD1-CB 3.16Å; D52-N54 PolarHBondContact OD1-N 2.84Å; D52-N54 PolarHBondContact OD1-ND2 3.35Å
55D97.6Very high95.1Very high84 Ų8471 Ų7145%0.44936%0.358SS..  trans-72.8153.6179.5-79.7-9.8000112.3D52 Y57 R157D52-D55 HydrophobicContact CB-CB 4.01Å; D52-D55 PolarHBondContact O-N 3.35Å; D55-Y57 HydrophobicContact CB-CE1 4.41Å; D55-Y57 HydrophobicContact CB-CE2 3.9Å; D55-R157 WeakPolarHBondContact O-CG 3.39Å
56K97.7Very high96.5Very high129 Ų12973 Ų7356%0.56136%0.359SS*.  trans-105.9125176.7-69-177.8-174.41760109.5I96 S155 F156K56-I96 HydrophobicContact CD-CD1 4.36Å; K56-I96 HydrophobicContact CG-CD1 4.27Å; K56-S155 WeakPolarHBondContact CB-OG 3.32Å; K56-S155 WeakPolarHBondContact CG-OG 3.26Å; K56-F156 CarbonylContact C-O 3.5Å; K56-F156 WeakPolarHBondContact CA-O 3.42Å
57Y98.3Very high97Very high38 Ų3870.5 Ų70.515%0.14936%0.355CS..EExtended strand (participates in β ladder)trans-110.8112179.1-55.2-83.3000109T49 L50 V51 D52 D55 L59 F156T49-Y57 HydrophobicContact CG2-CD1 4.27Å; T49-Y57 HydrophobicContact CG2-CG 4.3Å; T49-Y57 WeakPolarHBondContact O-CE1 3.4Å; L50-Y57 HydrophobicContact CD2-CD2 3.77Å; L50-Y57 HydrophobicContact CD2-CE2 3.93Å; V51-Y57 PolarHBondContact N-OH 2.87Å; V51-Y57 VanDerWaalsContact N-OH 3.1Å; D52-Y57 PolarHBondContact N-OH 3.37Å; D52-Y57 PolarHBondContact O-OH 2.83Å; D55-Y57 HydrophobicContact CB-CE1 4.41Å; D55-Y57 HydrophobicContact CB-CE2 3.9Å; Y57-L59 PolarHBondContact O-N 2.9Å; Y57-F156 PolarHBondContact N-O 2.79Å; Y57-F156 PolarHBondContact O-N 2.96Å
58L98.4Very high96.7Very high114 Ų11468.2 Ų68.260%0.59735%0.347SS*.EExtended strand (participates in β ladder)trans-80.8108.7176.6-70.7175.1000109.9K153L58-K153 HydrophobicContact CB-CB 4.38Å; L58-K153 HydrophobicContact CB-CD 4.25Å
59L98.8Very high96.4Very high4 Ų466.4 Ų66.42%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-111.7131.1-177.9-54.5-174.1000110.4T49 Y57 F76 L78 V120 K153 I154 F156T49-L59 HydrophobicContact CG2-CD2 4.35Å; Y57-L59 PolarHBondContact O-N 2.9Å; L59-F76 HydrophobicContact CB-CB 3.97Å; L59-L78 HydrophobicContact CD1-CD2 3.98Å; L59-V120 HydrophobicContact CD1-CG1 4.11Å; L59-K153 WeakPolarHBondContact O-CA 2.95Å; L59-I154 PolarHBondContact N-O 3.07Å; L59-I154 PolarHBondContact O-N 3.43Å; L59-I154 VanDerWaalsContact O-N 3.15Å; L59-F156 HydrophobicContact CB-CD2 3.85Å; L59-F156 HydrophobicContact CB-CE2 3.83Å; L59-F156 HydrophobicContact CD1-CB 4.29Å; L59-F156 HydrophobicContact CD1-CD1 3.99Å; L59-F156 HydrophobicContact CD1-CD2 3.65Å; L59-F156 HydrophobicContact CD1-CE1 4.21Å; L59-F156 HydrophobicContact CD1-CE2 3.89Å; L59-F156 HydrophobicContact CD1-CG 3.71Å; L59-F156 HydrophobicContact CD1-CZ 4.18Å; L59-F156 HydrophobicContact CG-CD2 3.75Å; L59-F156 HydrophobicContact CG-CE2 4.15Å; L59-F156 HydrophobicContact CG-CG 4.17Å
60P98.7Very high96.1Very high35 Ų3566.8 Ų66.823%0.22735%0.346CS..EExtended strand (participates in β ladder)trans-77.9139.7179.130.8-34.1000111.7I62 F76 G77 D152 K153P60-I62 HydrophobicContact CB-CG2 4.47Å; P60-I62 HydrophobicContact CG-CG2 4.21Å; P60-I62 PolarHBondContact O-N 2.87Å; P60-F76 CarbonylContact O-C 3.51Å; P60-F76 WeakPolarHBondContact O-CA 3.29Å; P60-G77 PolarHBondContact O-N 3.5Å; P60-D152 CarbonylContact C-O 3.18Å; P60-D152 VanDerWaalsContact CA-O 3.28Å; P60-D152 WeakPolarHBondContact CA-O 3.31Å; P60-K153 HydrophobicContact CB-CG 4.05Å
61L98.9Very high96Very high1 Ų166.6 Ų66.61%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-66120.2164.2-177.866.6000108.3E63 K64 F74 F76 L148 L150 G151 D152L61-E63 VanDerWaalsContact CD1-O 3.23Å; L61-E63 WeakPolarHBondContact CD1-O 3.07Å; L61-K64 HydrophobicContact CD2-CB 4.42Å; L61-F74 HydrophobicContact CD1-CB 3.98Å; L61-F74 HydrophobicContact CD1-CD1 3.9Å; L61-F74 HydrophobicContact CD1-CG 4.46Å; L61-F74 HydrophobicContact CD2-CD1 4.45Å; L61-F76 HydrophobicContact CB-CD1 4.25Å; L61-F76 HydrophobicContact CB-CE1 3.95Å; L61-F76 HydrophobicContact CD1-CE1 4.15Å; L61-F76 HydrophobicContact CD1-CE2 4.43Å; L61-F76 HydrophobicContact CD1-CZ 4.1Å; L61-L148 HydrophobicContact CD2-CB 3.74Å; L61-L150 HydrophobicContact CD2-CD2 4.45Å; L61-L150 HydrophobicContact CG-CD2 4.19Å; L61-G151 PolarHBondContact O-N 3.27Å; L61-D152 PolarHBondContact N-O 2.84Å
62I98.6Very high96.1Very high68 Ų6862 Ų6235%0.34932%0.316SS..EExtended strand (participates in β ladder)trans-113-17.1-179.161.3168.8000112.8P60 R75P60-I62 HydrophobicContact CB-CG2 4.47Å; P60-I62 HydrophobicContact CG-CG2 4.21Å; P60-I62 PolarHBondContact O-N 2.87Å; I62-R75 HydrophobicContact CD1-CG 3.91Å; I62-R75 HydrophobicContact CG1-CB 4.15Å; I62-R75 HydrophobicContact CG1-CG 3.75Å; I62-R75 VanDerWaalsContact CG1-O 3.29Å; I62-R75 WeakPolarHBondContact CG1-O 3.32Å; I62-R75 PolarHBondContact N-O 3.04Å
63E98.6Very high96.1Very high70 Ų7060.5 Ų60.533%0.32731%0.306SS..EExtended strand (participates in β ladder)trans-153.7143.1176.9-154.1-172.9155.400109.6L61 R73 R75L61-E63 VanDerWaalsContact CD1-O 3.23Å; L61-E63 WeakPolarHBondContact CD1-O 3.07Å; E63-R73 VanDerWaalsContact CD-NH2 3.28Å; E63-R73 IonicContact OE1-CZ 3.18Å; E63-R73 IonicContact OE1-NH1 3.66Å; E63-R73 IonicContact OE1-NH2 2.64Å; E63-R73 PolarHBondContact OE1-NH2 3.04Å; E63-R73 IonicContact OE2-CZ 2.64Å; E63-R73 IonicContact OE2-NH1 3.36Å; E63-R73 PolarHBondContact OE2-NH1 2.9Å; E63-R73 IonicContact OE2-NH2 3.71Å; E63-R75 HydrophobicContact CB-CB 3.62Å; E63-R75 HydrophobicContact CB-CG 4.44Å; E63-R75 PolarHBondContact N-O 3.27Å; E63-R75 PolarHBondContact O-N 3.37Å; E63-R75 WeakPolarHBondContact OE2-CD 3.21Å; E63-R75 IonicContact OE2-CZ 2.71Å; E63-R75 IonicContact OE2-NE 3.59Å; E63-R75 IonicContact OE2-NH1 3.85Å; E63-R75 PolarHBondContact OE2-NH1 3.43Å
64K98.5Very high96.3Very high70 Ų7057.8 Ų57.830%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-136.5124.3173.9-176.6-176.7176-172.10109L61 R73 F74 E146L61-K64 HydrophobicContact CD2-CB 4.42Å; K64-R73 WeakPolarHBondContact CA-O 3.28Å; K64-F74 HydrophobicContact CD-CD1 4.42Å; K64-F74 HydrophobicContact CD-CE1 3.9Å; K64-F74 HydrophobicContact CG-CD1 4.11Å; K64-F74 HydrophobicContact CG-CE1 3.96Å; K64-E146 WeakPolarHBondContact CE-OE2 3.36Å; K64-E146 PolarHBondContact NZ-O 2.78Å; K64-E146 IonicContact NZ-OE1 3.41Å; K64-E146 IonicContact NZ-OE2 2.73Å; K64-E146 PolarHBondContact NZ-OE2 3.4Å
65E97.7Very high96.5Very high80 Ų8055 Ų5537%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-125.3135.8-178.3179.6-176.4-168.600110.5L67 R72 R73E65-L67 HydrophobicContact CG-CD2 4.1Å; E65-R72 CarbonylContact O-C 3.59Å; E65-R72 VanDerWaalsContact O-CA 3.25Å; E65-R72 WeakPolarHBondContact O-CA 3.34Å; E65-R73 HydrophobicContact CB-CB 4.29Å; E65-R73 PolarHBondContact N-O 3.32Å; E65-R73 PolarHBondContact O-N 3.11Å; E65-R73 IonicContact OE2-CZ 2.79Å; E65-R73 VanDerWaalsContact OE2-CZ 3.22Å; E65-R73 IonicContact OE2-NE 3.52Å; E65-R73 PolarHBondContact OE2-NE 3.12Å; E65-R73 IonicContact OE2-NH2 2.84Å; E65-R73 PolarHBondContact OE2-NH2 2.84Å
66N95.8Very high96.5Very high110 Ų11051 Ų5159%0.58825%0.249SC*.EExtended strand (participates in β ladder)trans-87.6109.9174-67-26.8000109.4
67L91Very high96.6Very high75 Ų7545.2 Ų45.239%0.39323%0.225SC..  trans-86.4-31.4177-58.7-178.5000111.8E65 T71 R73 V123E65-L67 HydrophobicContact CG-CD2 4.1Å; L67-T71 HydrophobicContact CB-CG2 4.26Å; L67-T71 HydrophobicContact CD1-CG2 4.23Å; L67-T71 PolarHBondContact N-O 2.95Å; L67-R73 HydrophobicContact CD1-CB 4.16Å; L67-R73 HydrophobicContact CD2-CB 4.48Å; L67-R73 HydrophobicContact CG-CB 4.3Å; L67-V123 HydrophobicContact CD1-CG1 3.92Å; L67-V123 HydrophobicContact CD1-CG2 3.92Å
68S89Confident96.6Very high43 Ų4344.1 Ų44.130%0.30122%0.222SC..SBendtrans-153.9-177.3175.584.30000110.8D70 T71 R72S68-D70 PolarHBondContact O-N 2.96Å; S68-D70 VanDerWaalsContact O-N 3.14Å; S68-D70 PolarHBondContact OG-N 3.49Å; S68-D70 PolarHBondContact OG-OD1 2.95Å; S68-T71 PolarHBondContact N-O 2.87Å; S68-T71 VanDerWaalsContact N-O 3.12Å; S68-T71 VanDerWaalsContact OG-CB 3.27Å; S68-T71 WeakPolarHBondContact OG-CB 3.49Å; S68-T71 PolarHBondContact OG-N 2.9Å; S68-T71 PolarHBondContact OG-OG1 3.31Å; S68-R72 PolarHBondContact O-NH1 3.09Å
69H89.6Confident96.6Very high121 Ų12142.7 Ų42.756%0.5622%0.219SC*.SBendtrans-52.8-31.917575-68.3000113.9R72H69-R72 VanDerWaalsContact C-NH1 3.25Å; H69-R72 PolarHBondContact O-NH1 3.2Å
70D93.2Very high96.5Very high11 Ų1143.9 Ų43.96%0.05923%0.228CC..SBendtrans-126-2-177.571.9-4.7000114.1S68 K125 V126 F128S68-D70 PolarHBondContact O-N 2.96Å; S68-D70 VanDerWaalsContact O-N 3.14Å; S68-D70 PolarHBondContact OG-N 3.49Å; S68-D70 PolarHBondContact OG-OD1 2.95Å; D70-K125 CarbonylContact O-C 3.54Å; D70-K125 WeakPolarHBondContact O-CA 3.36Å; D70-K125 WeakPolarHBondContact OD2-CE 3.45Å; D70-K125 IonicContact OD2-NZ 2.63Å; D70-K125 PolarHBondContact OD2-NZ 3.36Å; D70-V126 PolarHBondContact O-N 2.88Å; D70-F128 HydrophobicContact CB-CE2 4.37Å
71T94Very high96.4Very high8 Ų849.1 Ų49.15%0.04925%0.247CC..EExtended strand (participates in β ladder)trans-116.7129.6-174.5-590000111.6L67 S68 V123 V124 L232L67-T71 HydrophobicContact CB-CG2 4.26Å; L67-T71 HydrophobicContact CD1-CG2 4.23Å; L67-T71 PolarHBondContact N-O 2.95Å; S68-T71 PolarHBondContact N-O 2.87Å; S68-T71 VanDerWaalsContact N-O 3.12Å; S68-T71 VanDerWaalsContact OG-CB 3.27Å; S68-T71 WeakPolarHBondContact OG-CB 3.49Å; S68-T71 PolarHBondContact OG-N 2.9Å; S68-T71 PolarHBondContact OG-OG1 3.31Å; T71-V123 HydrophobicContact CG2-CG1 3.66Å; T71-V124 WeakPolarHBondContact CA-O 3.35Å; T71-L232 HydrophobicContact CG2-CD2 4.29Å; T71-L232 HydrophobicContact CG2-CG 4.19Å
72R96.9Very high96.2Very high20 Ų2054.7 Ų54.78%0.07527%0.273CS..EExtended strand (participates in β ladder)trans-121147.8-179.8-78.661.1165.9156.68.9110.5E65 S68 H69 F74 V123 V124 V126 F128 E146E65-R72 CarbonylContact O-C 3.59Å; E65-R72 VanDerWaalsContact O-CA 3.25Å; E65-R72 WeakPolarHBondContact O-CA 3.34Å; S68-R72 PolarHBondContact O-NH1 3.09Å; H69-R72 VanDerWaalsContact C-NH1 3.25Å; H69-R72 PolarHBondContact O-NH1 3.2Å; R72-F74 HydrophobicContact CB-CD2 4Å; R72-F74 HydrophobicContact CB-CE1 4.34Å; R72-F74 HydrophobicContact CB-CE2 3.38Å; R72-F74 HydrophobicContact CB-CZ 3.58Å; R72-F74 HydrophobicContact CG-CE2 4.24Å; R72-F74 HydrophobicContact CG-CZ 3.95Å; R72-V123 WeakPolarHBondContact O-CA 3.45Å; R72-V124 PolarHBondContact N-O 3.34Å; R72-V124 PolarHBondContact O-N 2.81Å; R72-V126 HydrophobicContact CG-CG2 4.48Å; R72-F128 VanDerWaalsContact NH2-CZ 3.33Å; R72-E146 IonicContact CZ-OE1 2.7Å; R72-E146 IonicContact CZ-OE2 3.86Å; R72-E146 VanDerWaalsContact NE-CD 3.33Å; R72-E146 IonicContact NE-OE1 3.31Å; R72-E146 PolarHBondContact NE-OE1 2.84Å; R72-E146 IonicContact NE-OE2 3.68Å; R72-E146 PolarHBondContact NE-OE2 3.47Å; R72-E146 IonicContact NH2-OE1 2.81Å; R72-E146 PolarHBondContact NH2-OE1 3.01Å; R72-E146 IonicContact NH2-OE2 3.22Å
73R97.6Very high96.2Very high25 Ų2553 Ų539%0.09426%0.264CS..EExtended strand (participates in β ladder)trans-97.5125.2158.1-176.9179.562.686.4-1.1108.5E63 K64 E65 L67 D121 L122 V123E63-R73 VanDerWaalsContact CD-NH2 3.28Å; E63-R73 IonicContact OE1-CZ 3.18Å; E63-R73 IonicContact OE1-NH1 3.66Å; E63-R73 IonicContact OE1-NH2 2.64Å; E63-R73 PolarHBondContact OE1-NH2 3.04Å; E63-R73 IonicContact OE2-CZ 2.64Å; E63-R73 IonicContact OE2-NH1 3.36Å; E63-R73 PolarHBondContact OE2-NH1 2.9Å; E63-R73 IonicContact OE2-NH2 3.71Å; K64-R73 WeakPolarHBondContact CA-O 3.28Å; E65-R73 HydrophobicContact CB-CB 4.29Å; E65-R73 PolarHBondContact N-O 3.32Å; E65-R73 PolarHBondContact O-N 3.11Å; E65-R73 IonicContact OE2-CZ 2.79Å; E65-R73 VanDerWaalsContact OE2-CZ 3.22Å; E65-R73 IonicContact OE2-NE 3.52Å; E65-R73 PolarHBondContact OE2-NE 3.12Å; E65-R73 IonicContact OE2-NH2 2.84Å; E65-R73 PolarHBondContact OE2-NH2 2.84Å; L67-R73 HydrophobicContact CD1-CB 4.16Å; L67-R73 HydrophobicContact CD2-CB 4.48Å; L67-R73 HydrophobicContact CG-CB 4.3Å; R73-D121 HydrophobicContact CG-CB 4.29Å; R73-D121 IonicContact NH1-OD1 3.33Å; R73-D121 PolarHBondContact NH1-OD1 3.08Å; R73-D121 IonicContact NH1-OD2 2.8Å; R73-L122 WeakPolarHBondContact CA-O 3.49Å; R73-V123 HydrophobicContact CB-CG2 4.12Å; R73-V123 HydrophobicContact CG-CG2 4.18Å
74F98.7Very high96.2Very high0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-110.1118.2173.2-61.7-84.8000108.8L61 K64 R72 F76 D121 L122 V124 L145L61-F74 HydrophobicContact CD1-CB 3.98Å; L61-F74 HydrophobicContact CD1-CD1 3.9Å; L61-F74 HydrophobicContact CD1-CG 4.46Å; L61-F74 HydrophobicContact CD2-CD1 4.45Å; K64-F74 HydrophobicContact CD-CD1 4.42Å; K64-F74 HydrophobicContact CD-CE1 3.9Å; K64-F74 HydrophobicContact CG-CD1 4.11Å; K64-F74 HydrophobicContact CG-CE1 3.96Å; R72-F74 HydrophobicContact CB-CD2 4Å; R72-F74 HydrophobicContact CB-CE1 4.34Å; R72-F74 HydrophobicContact CB-CE2 3.38Å; R72-F74 HydrophobicContact CB-CZ 3.58Å; R72-F74 HydrophobicContact CG-CE2 4.24Å; R72-F74 HydrophobicContact CG-CZ 3.95Å; F74-F76 HydrophobicContact CB-CD2 4.31Å; F74-F76 HydrophobicContact CB-CE2 3.53Å; F74-F76 HydrophobicContact CB-CZ 4.11Å; F74-D121 WeakPolarHBondContact O-CA 3.33Å; F74-L122 PolarHBondContact N-O 2.64Å; F74-L122 PolarHBondContact O-N 2.7Å; F74-V124 HydrophobicContact CD2-CB 4.11Å; F74-V124 HydrophobicContact CD2-CG2 4.11Å; F74-V124 HydrophobicContact CE2-CB 3.93Å; F74-V124 HydrophobicContact CE2-CG2 4.37Å; F74-L145 HydrophobicContact CE1-CB 4.14Å; F74-L145 WeakPolarHBondContact CE1-O 3.38Å; F74-L145 HydrophobicContact CE2-CB 4.09Å; F74-L145 HydrophobicContact CZ-CB 3.82Å
75R98.8Very high96.1Very high50 Ų5046.7 Ų46.719%0.18924%0.236CC..EExtended strand (participates in β ladder)trans-100.6120.7175.3-172.7166.7-80177.8-15.1110I62 E63 Y119 V120 D121I62-R75 HydrophobicContact CD1-CG 3.91Å; I62-R75 HydrophobicContact CG1-CB 4.15Å; I62-R75 HydrophobicContact CG1-CG 3.75Å; I62-R75 VanDerWaalsContact CG1-O 3.29Å; I62-R75 WeakPolarHBondContact CG1-O 3.32Å; I62-R75 PolarHBondContact N-O 3.04Å; E63-R75 HydrophobicContact CB-CB 3.62Å; E63-R75 HydrophobicContact CB-CG 4.44Å; E63-R75 PolarHBondContact N-O 3.27Å; E63-R75 PolarHBondContact O-N 3.37Å; E63-R75 WeakPolarHBondContact OE2-CD 3.21Å; E63-R75 IonicContact OE2-CZ 2.71Å; E63-R75 IonicContact OE2-NE 3.59Å; E63-R75 IonicContact OE2-NH1 3.85Å; E63-R75 PolarHBondContact OE2-NH1 3.43Å; R75-Y119 HydrophobicContact CG-CD2 3.92Å; R75-Y119 HydrophobicContact CG-CG 3.95Å; R75-Y119 VanDerWaalsContact NE-CD2 3.32Å; R75-Y119 VanDerWaalsContact NH2-CE2 3.3Å; R75-V120 WeakPolarHBondContact CA-O 3.4Å; R75-D121 WeakPolarHBondContact CA-OD1 3.48Å; R75-D121 WeakPolarHBondContact CB-OD1 3.45Å; R75-D121 WeakPolarHBondContact CG-OD1 3.18Å; R75-D121 IonicContact CZ-OD1 2.8Å; R75-D121 IonicContact CZ-OD2 3.26Å; R75-D121 IonicContact NE-OD1 2.79Å; R75-D121 PolarHBondContact NE-OD1 3Å; R75-D121 IonicContact NE-OD2 2.93Å; R75-D121 PolarHBondContact NE-OD2 3.19Å; R75-D121 IonicContact NH2-OD1 3.49Å; R75-D121 IonicContact NH2-OD2 3.29Å; R75-D121 PolarHBondContact NH2-OD2 2.73Å
76F98.9Very high96.1Very high0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-104.8135.7174.9-63.1-91.9000110.7L59 P60 L61 F74 Y119 V120 L122 L145 L148 I154 F156L59-F76 HydrophobicContact CB-CB 3.97Å; P60-F76 CarbonylContact O-C 3.51Å; P60-F76 WeakPolarHBondContact O-CA 3.29Å; L61-F76 HydrophobicContact CB-CD1 4.25Å; L61-F76 HydrophobicContact CB-CE1 3.95Å; L61-F76 HydrophobicContact CD1-CE1 4.15Å; L61-F76 HydrophobicContact CD1-CE2 4.43Å; L61-F76 HydrophobicContact CD1-CZ 4.1Å; F74-F76 HydrophobicContact CB-CD2 4.31Å; F74-F76 HydrophobicContact CB-CE2 3.53Å; F74-F76 HydrophobicContact CB-CZ 4.11Å; F76-Y119 CarbonylContact O-C 3.56Å; F76-Y119 WeakPolarHBondContact O-CA 3.23Å; F76-Y119 WeakPolarHBondContact O-CB 3.34Å; F76-V120 HydrophobicContact CB-CG1 3.83Å; F76-V120 PolarHBondContact N-O 2.98Å; F76-V120 PolarHBondContact O-N 2.86Å; F76-L122 HydrophobicContact CD2-CD1 4.35Å; F76-L122 HydrophobicContact CD2-CG 4.48Å; F76-L122 HydrophobicContact CE2-CD1 3.96Å; F76-L122 HydrophobicContact CE2-CG 4.4Å; F76-L145 HydrophobicContact CZ-CD2 3.95Å; F76-L148 HydrophobicContact CE1-CD1 4.31Å; F76-L148 HydrophobicContact CZ-CD1 4.39Å; F76-I154 HydrophobicContact CD1-CG2 3.98Å; F76-I154 HydrophobicContact CE1-CG2 3.38Å; F76-I154 HydrophobicContact CZ-CG2 3.82Å; F76-F156 HydrophobicContact CB-CE2 4.17Å; F76-F156 HydrophobicContact CB-CZ 3.97Å; F76-F156 AromaticContact CD1-CE2 3.92Å; F76-F156 HydrophobicContact CD1-CE2 3.92Å; F76-F156 HydrophobicContact CD1-CZ 4.21Å; F76-F156 HydrophobicContact CD2-CE2 4.12Å; F76-F156 AromaticContact CD2-CZ 3.56Å; F76-F156 HydrophobicContact CD2-CZ 3.56Å; F76-F156 HydrophobicContact CE1-CE2 4.36Å; F76-F156 HydrophobicContact CE2-CZ 4.06Å; F76-F156 AromaticContact CG-CE2 3.79Å; F76-F156 HydrophobicContact CG-CE2 3.79Å; F76-F156 AromaticContact CG-CZ 3.64Å; F76-F156 HydrophobicContact CG-CZ 3.64Å
77G98.6Very high96.2Very high7 Ų738.7 Ų38.77%0.07220%0.197CC..EExtended strand (participates in β ladder)trans-71.2133.9175.300000111.1P60P60-G77 PolarHBondContact O-N 3.5Å
78L98.6Very high96.5Very high15 Ų1536.7 Ų36.78%0.07919%0.188CC..  trans-80.8168.3170.3-62.1179.3000110.5T49 L59 S80 H83 L85 G118 Y119 V120T49-L78 HydrophobicContact CG2-CD2 4.28Å; L59-L78 HydrophobicContact CD1-CD2 3.98Å; L78-S80 PolarHBondContact O-N 3.14Å; L78-H83 HydrophobicContact CB-CB 3.82Å; L78-H83 HydrophobicContact CD1-CB 4.21Å; L78-H83 VanDerWaalsContact CD1-O 3.26Å; L78-H83 WeakPolarHBondContact CD1-O 3.47Å; L78-L85 HydrophobicContact CD2-CD1 4.11Å; L78-G118 PolarHBondContact N-O 3.2Å; L78-Y119 WeakPolarHBondContact CD1-O 3.3Å; L78-V120 HydrophobicContact CD2-CB 4.27Å; L78-V120 HydrophobicContact CD2-CG1 4.02Å
79P97.8Very high96.9Very high83 Ų8335.6 Ų35.654%0.53918%0.18SC..SBendtrans-54.8-27.7-174.6-28.836.3000114.9T49T49-P79 HydrophobicContact CG2-CG 3.93Å; T49-P79 WeakPolarHBondContact OG1-CD 3.35Å
80S97.1Very high97.3Very high30 Ų3030 Ų3021%0.2115%0.154CC..SBendtrans-149.7168.3167.387.50000111.2L78 Q82 H83 G118L78-S80 PolarHBondContact O-N 3.14Å; S80-Q82 PolarHBondContact O-N 2.59Å; S80-Q82 PolarHBondContact OG-N 3.1Å; S80-Q82 VanDerWaalsContact OG-N 3.11Å; S80-Q82 PolarHBondContact OG-OE1 3.22Å; S80-H83 WeakPolarHBondContact CB-ND1 3.38Å; S80-H83 PolarHBondContact N-ND1 2.89Å; S80-H83 PolarHBondContact O-N 2.77Å; S80-H83 VanDerWaalsContact O-N 3.08Å; S80-H83 PolarHBondContact OG-ND1 3.13Å; S80-G118 WeakPolarHBondContact O-CA 3.38Å
81K95.7Very high97.5Very high145 Ų14530.8 Ų30.863%0.6316%0.158SC*.THydrogen-bonded Turntrans-66.71.1173.9-61.2-62.5-174.2-178.90114.5V117K81-V117 VanDerWaalsContact O-CG1 3.23Å; K81-V117 WeakPolarHBondContact O-CG1 3.47Å
82Q95.9Very high97.7Very high117 Ų11731.6 Ų31.655%0.54716%0.161SC..THydrogen-bonded Turntrans-110.8-5.2176.4-58.875.931.900112.3L47 S80L47-Q82 HydrophobicContact CD1-CB 4.34Å; S80-Q82 PolarHBondContact O-N 2.59Å; S80-Q82 PolarHBondContact OG-N 3.1Å; S80-Q82 VanDerWaalsContact OG-N 3.11Å; S80-Q82 PolarHBondContact OG-OE1 3.22Å
83H98.1Very high97.7Very high33 Ų3330.6 Ų30.615%0.15316%0.157CC..EExtended strand (participates in β ladder)trans-80.9146.5177.6-76.772.9000111.2L47 L78 S80 V117 G118L47-H83 HydrophobicContact CB-CB 4.47Å; L47-H83 VanDerWaalsContact CD1-CE1 3.43Å; L47-H83 WeakPolarHBondContact CD1-CE1 3.1Å; L47-H83 CarbonylContact O-C 3.54Å; L47-H83 VanDerWaalsContact O-CA 3.26Å; L47-H83 WeakPolarHBondContact O-CA 3.42Å; L78-H83 HydrophobicContact CB-CB 3.82Å; L78-H83 HydrophobicContact CD1-CB 4.21Å; L78-H83 VanDerWaalsContact CD1-O 3.26Å; L78-H83 WeakPolarHBondContact CD1-O 3.47Å; S80-H83 WeakPolarHBondContact CB-ND1 3.38Å; S80-H83 PolarHBondContact N-ND1 2.89Å; S80-H83 PolarHBondContact O-N 2.77Å; S80-H83 VanDerWaalsContact O-N 3.08Å; S80-H83 PolarHBondContact OG-ND1 3.13Å; H83-V117 WeakPolarHBondContact O-CG1 3.48Å; H83-G118 PolarHBondContact O-N 2.85Å
84V97.8Very high97.8Very high1 Ų130.7 Ų30.71%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-105.5165.7158.1-61.90000108.7R46 L47 R48 T49 G86 D114 V117R46-V84 HydrophobicContact CB-CG1 4.1Å; R46-V84 HydrophobicContact CB-CG2 4.14Å; R46-V84 VanDerWaalsContact CD-CG1 3.49Å; R46-V84 HydrophobicContact CG-CG1 4.39Å; L47-V84 WeakPolarHBondContact O-CG2 3.32Å; L47-V84 PolarHBondContact O-N 3.21Å; R48-V84 HydrophobicContact CG-CG2 4.07Å; T49-V84 PolarHBondContact N-O 3.05Å; T49-V84 PolarHBondContact OG1-O 2.75Å; V84-G86 VanDerWaalsContact C-N 3.32Å; V84-D114 HydrophobicContact CB-CB 4.18Å; V84-D114 HydrophobicContact CG1-CB 4.36Å; V84-D114 WeakPolarHBondContact CG1-O 3.49Å; V84-D114 HydrophobicContact CG2-CB 4.3Å; V84-V117 HydrophobicContact CG1-CG2 4.3Å
85L98.1Very high97.8Very high7 Ų730.7 Ų30.74%0.03716%0.159CC..  trans-64.2-42.9175.4-174.866.6000110.3T49 L50 L78 L87 I93 P110 V120T49-L85 PolarHBondContact N-O 2.97Å; L50-L85 WeakPolarHBondContact CB-O 3.1Å; L50-L85 HydrophobicContact CD1-CD1 3.92Å; L50-L85 HydrophobicContact CD1-CD2 4.27Å; L50-L85 HydrophobicContact CD1-CG 3.76Å; L50-L85 HydrophobicContact CD2-CD1 4.25Å; L50-L85 HydrophobicContact CG-CD1 3.85Å; L50-L85 HydrophobicContact CG-CG 4.08Å; L50-L85 WeakPolarHBondContact CG-O 3.42Å; L50-L85 PolarHBondContact N-O 2.87Å; L78-L85 HydrophobicContact CD2-CD1 4.11Å; L85-L87 HydrophobicContact CD2-CB 3.67Å; L85-L87 HydrophobicContact CD2-CD2 4.01Å; L85-L87 HydrophobicContact CD2-CG 4.46Å; L85-L87 HydrophobicContact CG-CB 4.09Å; L85-I93 HydrophobicContact CD2-CG2 4.31Å; L85-P110 HydrophobicContact CD2-CB 4.28Å; L85-P110 HydrophobicContact CD2-CG 3.65Å; L85-V120 HydrophobicContact CD1-CB 4.37Å; L85-V120 HydrophobicContact CD1-CG1 4.46Å; L85-V120 HydrophobicContact CD1-CG2 4.4Å; L85-V120 HydrophobicContact CD2-CB 4.4Å; L85-V120 HydrophobicContact CD2-CG2 3.71Å
86G97Very high97.8Very high6 Ų628.8 Ų28.86%0.06215%0.152CC..  trans79.829.9-17700000112.8V84 P88 D114V84-G86 VanDerWaalsContact C-N 3.32Å; G86-P88 WeakPolarHBondContact O-CD 3.39Å; G86-D114 WeakPolarHBondContact CA-OD1 3.25Å; G86-D114 WeakPolarHBondContact CA-OD2 3.45Å; G86-D114 PolarHBondContact N-OD1 3.04Å
87L97.8Very high97.8Very high16 Ų1629.3 Ų29.38%0.08416%0.156CC..PPolyproline II helixtrans-89.1119-178.5-179.965.7000110.5L50 L85 V89 Q91 I93 P110 P159L50-L87 HydrophobicContact CD1-CB 4.2Å; L50-L87 HydrophobicContact CD1-CD1 4.17Å; L85-L87 HydrophobicContact CD2-CB 3.67Å; L85-L87 HydrophobicContact CD2-CD2 4.01Å; L85-L87 HydrophobicContact CD2-CG 4.46Å; L85-L87 HydrophobicContact CG-CB 4.09Å; L87-V89 PolarHBondContact O-N 3.1Å; L87-Q91 HydrophobicContact CD1-CB 3.85Å; L87-I93 HydrophobicContact CD1-CG2 4.26Å; L87-I93 HydrophobicContact CD2-CG2 4.43Å; L87-P110 HydrophobicContact CD2-CB 4.5Å; L87-P110 HydrophobicContact CD2-CG 3.67Å; L87-P159 HydrophobicContact CD1-CB 3.51Å
88P97.1Very high97.7Very high32 Ų3233.6 Ų33.621%0.20818%0.182CC..PPolyproline II helixtrans-61.5135.7172.9-22.734.6000112.1G86 G90 Q91 P159 Q164G86-P88 WeakPolarHBondContact O-CD 3.39Å; P88-G90 PolarHBondContact O-N 3.47Å; P88-Q91 HydrophobicContact CB-CG 4.28Å; P88-Q91 VanDerWaalsContact O-CB 3.3Å; P88-Q91 WeakPolarHBondContact O-CB 3.43Å; P88-Q91 PolarHBondContact O-N 3.05Å; P88-P159 HydrophobicContact CG-CB 4.43Å; P88-P159 HydrophobicContact CG-CG 4.41Å; P88-Q164 HydrophobicContact CB-CG 3.79Å
89V97.9Very high97.6Very high21 Ų2133.8 Ų33.813%0.12718%0.182CC..THydrogen-bonded Turntrans-60.5131.8178.9175.30000110.3L87 Q164 Y165 Q203 L204 E207L87-V89 PolarHBondContact O-N 3.1Å; V89-Q164 CarbonylContact O-C 3.59Å; V89-Q164 VanDerWaalsContact O-CA 3.25Å; V89-Q164 WeakPolarHBondContact O-CA 3.17Å; V89-Y165 PolarHBondContact O-N 3.23Å; V89-Q203 HydrophobicContact CG1-CG 4.32Å; V89-L204 HydrophobicContact CG1-CD1 4.31Å; V89-E207 HydrophobicContact CB-CG 4.43Å; V89-E207 HydrophobicContact CG1-CB 4Å; V89-E207 HydrophobicContact CG1-CG 4.35Å; V89-E207 HydrophobicContact CG2-CB 3.95Å; V89-E207 HydrophobicContact CG2-CG 3.83Å
90G97Very high97.4Very high2 Ų236 Ų362%0.02119%0.19CC..THydrogen-bonded Turntrans94.4-4.2-171.400000114.4P88 L163 Y330P88-G90 PolarHBondContact O-N 3.47Å; G90-L163 CarbonylContact C-O 3.51Å; G90-L163 VanDerWaalsContact C-O 3.25Å; G90-L163 VanDerWaalsContact O-O 3.08Å; G90-Y330 WeakPolarHBondContact O-CE1 3.08Å
91Q97.7Very high97.3Very high28 Ų2842.4 Ų42.413%0.13122%0.221CC..  trans-109.5167.6174.2-59.4-168.510.400111.3L87 P88 P159 S160 L163L87-Q91 HydrophobicContact CD1-CB 3.85Å; P88-Q91 HydrophobicContact CB-CG 4.28Å; P88-Q91 VanDerWaalsContact O-CB 3.3Å; P88-Q91 WeakPolarHBondContact O-CB 3.43Å; P88-Q91 PolarHBondContact O-N 3.05Å; Q91-P159 VanDerWaalsContact OE1-CB 3.3Å; Q91-S160 CarbonylContact C-O 3.58Å; Q91-S160 WeakPolarHBondContact CA-O 3.28Å; Q91-S160 VanDerWaalsContact CB-O 3.3Å; Q91-S160 WeakPolarHBondContact CB-O 3.34Å; Q91-L163 VanDerWaalsContact CG-O 3.29Å; Q91-L163 WeakPolarHBondContact CG-O 3.43Å
92H98.2Very high97.4Very high25 Ų2540 Ų4012%0.11621%0.213CC..EExtended strand (participates in β ladder)trans-131.7168.8-178.556.6-99000111.1H94 Y108 S160H92-H94 AromaticContact CD2-CE1 3.68Å; H92-H94 AromaticContact NE2-CE1 3.4Å; H92-H94 PolarHBondContact NE2-CE1 2.9Å; H92-H94 AromaticContact NE2-NE2 3.91Å; H92-Y108 WeakPolarHBondContact CB-O 3.36Å; H92-S160 PolarHBondContact CE1-O 3.04Å; H92-S160 PolarHBondContact N-O 3.47Å; H92-S160 PolarHBondContact ND1-O 3.45Å; H92-S160 PolarHBondContact NE2-OG 2.75Å; H92-S160 PolarHBondContact O-N 2.73Å
93I98.6Very high97.5Very high0 Ų039.5 Ų39.50%021%0.213CC..EExtended strand (participates in β ladder)trans-103.7162168.16084.1000109.9L50 L85 L87 L95 P107 Y108 P110 L122 F156 R157L50-I93 HydrophobicContact CD1-CG2 3.57Å; L50-I93 HydrophobicContact CD2-CG2 4.47Å; L85-I93 HydrophobicContact CD2-CG2 4.31Å; L87-I93 HydrophobicContact CD1-CG2 4.26Å; L87-I93 HydrophobicContact CD2-CG2 4.43Å; I93-L95 HydrophobicContact CD1-CD2 3.61Å; I93-L95 HydrophobicContact CD1-CG 3.78Å; I93-P107 CarbonylContact O-C 3.59Å; I93-P107 VanDerWaalsContact O-CA 3.32Å; I93-P107 WeakPolarHBondContact O-CA 3.17Å; I93-Y108 PolarHBondContact N-O 2.9Å; I93-Y108 PolarHBondContact O-N 3Å; I93-P110 HydrophobicContact CG1-CG 4.17Å; I93-L122 HydrophobicContact CD1-CD1 4.48Å; I93-F156 HydrophobicContact CB-CD1 4.3Å; I93-F156 HydrophobicContact CD1-CD1 3.57Å; I93-F156 HydrophobicContact CD1-CE1 3.7Å; I93-F156 HydrophobicContact CD1-CG 4.44Å; I93-F156 HydrophobicContact CG1-CD1 3.79Å; I93-F156 HydrophobicContact CG1-CE1 4.04Å; I93-R157 CarbonylContact C-O 3.49Å; I93-R157 WeakPolarHBondContact CA-O 3.5Å
94H98.6Very high97.5Very high26 Ų2638.3 Ų38.312%0.1221%0.208CC..EExtended strand (participates in β ladder)trans-106.3128.9167.1-67.276.5000108.8H92 I105 R106 F156 R157 S160H92-H94 AromaticContact CD2-CE1 3.68Å; H92-H94 AromaticContact NE2-CE1 3.4Å; H92-H94 PolarHBondContact NE2-CE1 2.9Å; H92-H94 AromaticContact NE2-NE2 3.91Å; H94-I105 HydrophobicContact CB-CG2 3.95Å; H94-R106 CarbonylContact C-O 3.49Å; H94-R106 WeakPolarHBondContact CA-O 3.27Å; H94-F156 CarbonylContact O-C 3.57Å; H94-F156 WeakPolarHBondContact O-CA 3.38Å; H94-R157 HydrophobicContact CB-CB 4.46Å; H94-R157 PolarHBondContact N-O 2.71Å; H94-R157 PolarHBondContact O-N 3.33Å; H94-S160 PolarHBondContact CE1-OG 2.87Å
95L98.7Very high97.5Very high0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-86.1136.6162.6-64.6-176.1000109.2I93 I105 R106 Y108 L122 M141 L145 I154 S155 F156I93-L95 HydrophobicContact CD1-CD2 3.61Å; I93-L95 HydrophobicContact CD1-CG 3.78Å; L95-I105 WeakPolarHBondContact O-CA 3.12Å; L95-R106 PolarHBondContact N-O 2.92Å; L95-R106 PolarHBondContact O-N 2.82Å; L95-Y108 HydrophobicContact CB-CD2 3.94Å; L95-Y108 HydrophobicContact CB-CE2 3.96Å; L95-Y108 HydrophobicContact CD1-CD2 3.54Å; L95-Y108 HydrophobicContact CD1-CE2 3.62Å; L95-Y108 HydrophobicContact CD1-CG 4.12Å; L95-Y108 HydrophobicContact CG-CD2 3.57Å; L95-Y108 HydrophobicContact CG-CE2 3.95Å; L95-Y108 HydrophobicContact CG-CG 4.35Å; L95-L122 HydrophobicContact CD1-CD1 3.74Å; L95-L122 HydrophobicContact CD2-CD1 4.22Å; L95-L122 HydrophobicContact CG-CD1 4.28Å; L95-M141 HydrophobicContact CB-CE 4.04Å; L95-M141 HydrophobicContact CB-SD 4.09Å; L95-M141 WeakPolarHBondContact O-CE 3.33Å; L95-L145 HydrophobicContact CD1-CD1 3.87Å; L95-L145 HydrophobicContact CD1-CD2 3.99Å; L95-L145 HydrophobicContact CD1-CG 4.39Å; L95-I154 HydrophobicContact CB-CD1 4.09Å; L95-I154 HydrophobicContact CD1-CD1 4.19Å; L95-I154 HydrophobicContact CD2-CD1 4.42Å; L95-I154 HydrophobicContact CD2-CG2 4.08Å; L95-I154 HydrophobicContact CG-CD1 4.48Å; L95-S155 WeakPolarHBondContact CA-O 3.31Å; L95-F156 HydrophobicContact CD2-CD1 4.02Å; L95-F156 HydrophobicContact CD2-CD2 3.78Å; L95-F156 HydrophobicContact CD2-CE1 3.84Å; L95-F156 HydrophobicContact CD2-CE2 3.59Å; L95-F156 HydrophobicContact CD2-CG 3.98Å; L95-F156 HydrophobicContact CD2-CZ 3.61Å
96I98.6Very high97.5Very high10 Ų1046.5 Ų46.55%0.05124%0.242CC..EExtended strand (participates in β ladder)trans-128124.2-178-53.2174.3000107.8K56 L103 I104 I105 S155 R157K56-I96 HydrophobicContact CD-CD1 4.36Å; K56-I96 HydrophobicContact CG-CD1 4.27Å; I96-L103 HydrophobicContact CG2-CD1 3.59Å; I96-L103 HydrophobicContact CG2-CG 4.42Å; I96-I104 WeakPolarHBondContact CA-O 3.47Å; I96-I105 HydrophobicContact CG1-CG1 4.14Å; I96-I105 HydrophobicContact CG1-CG2 4.13Å; I96-I105 HydrophobicContact CG2-CG1 4.15Å; I96-S155 PolarHBondContact N-O 3.04Å; I96-S155 WeakPolarHBondContact O-CB 3.42Å; I96-S155 PolarHBondContact O-N 3.03Å; I96-R157 HydrophobicContact CD1-CB 3.83Å
97A98.1Very high97.5Very high11 Ų1149.7 Ų49.79%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-146.3150.9176.900000110.2I99 I104 M141 I154A97-I99 HydrophobicContact CB-CD1 4.23Å; A97-I99 HydrophobicContact CB-CG1 4.07Å; A97-I104 PolarHBondContact N-O 3.24Å; A97-I104 PolarHBondContact O-N 3.39Å; A97-M141 HydrophobicContact CB-CE 4.02Å; A97-M141 HydrophobicContact CB-SD 4.25Å; A97-I154 HydrophobicContact CB-CD1 4.25Å; A97-I154 HydrophobicContact CB-CG1 4.43Å
98T97.7Very high97.6Very high98 Ų9850.6 Ų50.660%0.60126%0.264SS*.EExtended strand (participates in β ladder)trans-92.4115.8167.8-57.80000107.9E102T98-E102 CarbonylContact C-O 3.56Å; T98-E102 VanDerWaalsContact CA-O 3.31Å; T98-E102 WeakPolarHBondContact CA-O 3.45Å
99I96.5Very high97.6Very high19 Ų1949.9 Ų49.910%0.09726%0.259CS..EExtended strand (participates in β ladder)trans-127.2123.8-176.3-55.1168.3000106.8A97 N101 E102 I104 K140 M141 H144A97-I99 HydrophobicContact CB-CD1 4.23Å; A97-I99 HydrophobicContact CB-CG1 4.07Å; I99-N101 VanDerWaalsContact C-N 3.26Å; I99-N101 PolarHBondContact O-N 3.11Å; I99-E102 PolarHBondContact N-O 3.26Å; I99-E102 WeakPolarHBondContact O-CB 3.11Å; I99-E102 PolarHBondContact O-N 2.97Å; I99-I104 HydrophobicContact CB-CG1 4.01Å; I99-I104 HydrophobicContact CD1-CB 4.04Å; I99-I104 HydrophobicContact CD1-CG1 3.99Å; I99-I104 HydrophobicContact CD1-CG2 4.4Å; I99-I104 HydrophobicContact CG1-CG1 4.26Å; I99-K140 HydrophobicContact CD1-CB 4.43Å; I99-M141 HydrophobicContact CD1-SD 4.47Å; I99-H144 HydrophobicContact CD1-CB 3.51Å; I99-H144 HydrophobicContact CG1-CB 4.03Å
100D93.6Very high97.6Very high130 Ų13048.9 Ų48.970%0.69525%0.253SS*.THydrogen-bonded Turntrans51.943.3-176.1-52.1-40.2000113.1E102D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 VanDerWaalsContact O-N 3.14Å
101N95.5Very high97.5Very high163 Ų16349.7 Ų49.787%0.87226%0.257SS*.THydrogen-bonded Turntrans62.39.5-174.8-57-40.6000115.7I99I99-N101 VanDerWaalsContact C-N 3.26Å; I99-N101 PolarHBondContact O-N 3.11Å
102E97.1Very high97.4Very high96 Ų9648.9 Ų48.945%0.44926%0.255SS..EExtended strand (participates in β ladder)trans-104.1136.6174.2-66.8178.9-167.500111.4T98 I99 D100 I104 K140T98-E102 CarbonylContact C-O 3.56Å; T98-E102 VanDerWaalsContact CA-O 3.31Å; T98-E102 WeakPolarHBondContact CA-O 3.45Å; I99-E102 PolarHBondContact N-O 3.26Å; I99-E102 WeakPolarHBondContact O-CB 3.11Å; I99-E102 PolarHBondContact O-N 2.97Å; D100-E102 PolarHBondContact O-N 2.89Å; D100-E102 VanDerWaalsContact O-N 3.14Å; E102-I104 HydrophobicContact CB-CD1 3.86Å; E102-I104 HydrophobicContact CB-CG1 4.48Å; E102-I104 PolarHBondContact O-N 3Å; E102-K140 VanDerWaalsContact CD-NZ 3.29Å; E102-K140 IonicContact OE1-NZ 3.89Å; E102-K140 PolarHBondContact OE1-NZ 3.16Å; E102-K140 IonicContact OE2-NZ 3.57Å; E102-K140 PolarHBondContact OE2-NZ 3.27Å
103L97.6Very high97.2Very high105 Ų10549.6 Ų49.655%0.5526%0.262SS..EExtended strand (participates in β ladder)trans-76.3105.7171.4-175.568.2000110I96 I105I96-L103 HydrophobicContact CG2-CD1 3.59Å; I96-L103 HydrophobicContact CG2-CG 4.42Å; L103-I105 HydrophobicContact CD2-CD1 4.34Å; L103-I105 HydrophobicContact CG-CG1 4.37Å
104I98.2Very high97Very high9 Ų952 Ų525%0.04628%0.275CS..EExtended strand (participates in β ladder)trans-99.9126.1179.6-52.9-55.1000109.9I96 A97 I99 E102 R106 K140 M141I96-I104 WeakPolarHBondContact CA-O 3.47Å; A97-I104 PolarHBondContact N-O 3.24Å; A97-I104 PolarHBondContact O-N 3.39Å; I99-I104 HydrophobicContact CB-CG1 4.01Å; I99-I104 HydrophobicContact CD1-CB 4.04Å; I99-I104 HydrophobicContact CD1-CG1 3.99Å; I99-I104 HydrophobicContact CD1-CG2 4.4Å; I99-I104 HydrophobicContact CG1-CG1 4.26Å; E102-I104 HydrophobicContact CB-CD1 3.86Å; E102-I104 HydrophobicContact CB-CG1 4.48Å; E102-I104 PolarHBondContact O-N 3Å; I104-R106 HydrophobicContact CG2-CG 4.14Å; I104-K140 HydrophobicContact CD1-CD 3.91Å; I104-K140 HydrophobicContact CG1-CD 4.3Å; I104-M141 HydrophobicContact CB-CE 4.3Å; I104-M141 HydrophobicContact CG2-CB 4.32Å; I104-M141 HydrophobicContact CG2-CE 4.03Å; I104-M141 WeakPolarHBondContact O-CE 3.46Å
105I98.3Very high96.8Very high62 Ų6256.4 Ų56.432%0.31830%0.296SS..EExtended strand (participates in β ladder)trans-122.8125177.8-53.9179.5000108.7H94 L95 I96 L103H94-I105 HydrophobicContact CB-CG2 3.95Å; L95-I105 WeakPolarHBondContact O-CA 3.12Å; I96-I105 HydrophobicContact CG1-CG1 4.14Å; I96-I105 HydrophobicContact CG1-CG2 4.13Å; I96-I105 HydrophobicContact CG2-CG1 4.15Å; L103-I105 HydrophobicContact CD2-CD1 4.34Å; L103-I105 HydrophobicContact CG-CG1 4.37Å
106R97.9Very high96.6Very high117 Ų11758.3 Ų58.344%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-138.3138.4-179.8-69.4-63.7179.5-85.50.6112.1H94 L95 I104 Y108 M141H94-R106 CarbonylContact C-O 3.49Å; H94-R106 WeakPolarHBondContact CA-O 3.27Å; L95-R106 PolarHBondContact N-O 2.92Å; L95-R106 PolarHBondContact O-N 2.82Å; I104-R106 HydrophobicContact CG2-CG 4.14Å; R106-Y108 HydrophobicContact CB-CD2 4.39Å; R106-Y108 HydrophobicContact CB-CE2 3.6Å; R106-Y108 WeakPolarHBondContact O-CD2 3.48Å; R106-M141 HydrophobicContact CB-CB 4.27Å; R106-M141 HydrophobicContact CB-CG 4.18Å; R106-M141 HydrophobicContact CG-CB 3.82Å; R106-M141 HydrophobicContact CG-CG 4.28Å
107P97.8Very high96.6Very high74 Ų7460.4 Ų60.448%0.48132%0.319SS..EExtended strand (participates in β ladder)trans-77.3142.7176.832.7-34.5000111.3I93I93-P107 CarbonylContact O-C 3.59Å; I93-P107 VanDerWaalsContact O-CA 3.32Å; I93-P107 WeakPolarHBondContact O-CA 3.17Å
108Y98.1Very high96.6Very high35 Ų3559.9 Ų59.914%0.13732%0.315CS..EExtended strand (participates in β ladder)trans-141.6135.9173.4-68.9-91.8000109.8H92 I93 L95 R106 P110 V124 M141 L145H92-Y108 WeakPolarHBondContact CB-O 3.36Å; I93-Y108 PolarHBondContact N-O 2.9Å; I93-Y108 PolarHBondContact O-N 3Å; L95-Y108 HydrophobicContact CB-CD2 3.94Å; L95-Y108 HydrophobicContact CB-CE2 3.96Å; L95-Y108 HydrophobicContact CD1-CD2 3.54Å; L95-Y108 HydrophobicContact CD1-CE2 3.62Å; L95-Y108 HydrophobicContact CD1-CG 4.12Å; L95-Y108 HydrophobicContact CG-CD2 3.57Å; L95-Y108 HydrophobicContact CG-CE2 3.95Å; L95-Y108 HydrophobicContact CG-CG 4.35Å; R106-Y108 HydrophobicContact CB-CD2 4.39Å; R106-Y108 HydrophobicContact CB-CE2 3.6Å; R106-Y108 WeakPolarHBondContact O-CD2 3.48Å; Y108-P110 WeakPolarHBondContact O-CD 3.38Å; Y108-V124 HydrophobicContact CD1-CG2 3.81Å; Y108-V124 HydrophobicContact CE1-CG1 4.01Å; Y108-V124 HydrophobicContact CE1-CG2 3.72Å; Y108-M141 HydrophobicContact CE2-CG 3.79Å; Y108-M141 WeakPolarHBondContact OH-CG 3.43Å; Y108-L145 HydrophobicContact CE1-CD1 4.34Å
109T97.9Very high96.6Very high17 Ų1757.8 Ų57.810%0.10430%0.296CS..  trans-98.2114.1173-53.50000108.9P200 Q203T109-P200 HydrophobicContact CG2-CB 4.42Å; T109-Q203 HydrophobicContact CG2-CB 4.22Å; T109-Q203 HydrophobicContact CG2-CG 4.49Å
110P97.9Very high96.7Very high0 Ų056.9 Ų56.90%029%0.292CS..  trans-59.1146.2172.6-22.533.5000112.6L85 L87 I93 Y108 V120 D121 L122L85-P110 HydrophobicContact CD2-CB 4.28Å; L85-P110 HydrophobicContact CD2-CG 3.65Å; L87-P110 HydrophobicContact CD2-CB 4.5Å; L87-P110 HydrophobicContact CD2-CG 3.67Å; I93-P110 HydrophobicContact CG1-CG 4.17Å; Y108-P110 WeakPolarHBondContact O-CD 3.38Å; P110-V120 HydrophobicContact CB-CG2 3.64Å; P110-V120 HydrophobicContact CG-CG2 3.82Å; P110-D121 WeakPolarHBondContact CA-O 3.42Å; P110-L122 HydrophobicContact CB-CD2 3.96Å; P110-L122 HydrophobicContact CG-CD2 3.77Å
111I95.5Very high96.9Very high18 Ų1851.1 Ų51.19%0.09226%0.261CS..SBendtrans-93.6-16.1174.360.6146.8000112.7D121 V123 T199 L202 R206 L233I111-D121 HydrophobicContact CD1-CB 4.26Å; I111-D121 HydrophobicContact CG1-CB 3.89Å; I111-D121 WeakPolarHBondContact CG1-O 3.48Å; I111-D121 PolarHBondContact N-O 3.03Å; I111-V123 HydrophobicContact CD1-CB 4.48Å; I111-V123 HydrophobicContact CD1-CG2 3.46Å; I111-V123 VanDerWaalsContact CD1-CG2 3.46Å; I111-V123 HydrophobicContact CG1-CG2 3.98Å; I111-V123 HydrophobicContact CG2-CB 4.31Å; I111-V123 HydrophobicContact CG2-CG2 4.44Å; I111-T199 HydrophobicContact CG2-CG2 4.32Å; I111-L202 HydrophobicContact CG2-CD2 4.38Å; I111-R206 PolarHBondContact O-NH1 2.95Å; I111-L233 HydrophobicContact CG2-CD1 4.03Å
112S95.5Very high97.1Very high12 Ų1243.4 Ų43.48%0.08422%0.22CC..  trans-74.7152.8169.256.70000110.6D116 V120 D121S112-D116 VanDerWaalsContact CA-OD2 3.29Å; S112-D116 WeakPolarHBondContact CA-OD2 3.5Å; S112-D116 WeakPolarHBondContact CB-OD2 3.47Å; S112-V120 WeakPolarHBondContact OG-CA 3.3Å; S112-D121 PolarHBondContact OG-N 2.9Å; S112-D121 VanDerWaalsContact OG-N 3.08Å
113S94.5Very high97.1Very high40 Ų4039.3 Ų39.328%0.2820%0.201SC..  trans-113.5178.3175.775.70000111.2E115 D116S113-E115 PolarHBondContact O-N 3.31Å; S113-E115 VanDerWaalsContact O-N 3.09Å; S113-E115 WeakPolarHBondContact OG-CB 3.43Å; S113-E115 PolarHBondContact OG-N 2.88Å; S113-E115 VanDerWaalsContact OG-N 3.14Å; S113-D116 PolarHBondContact N-OD2 3.08Å; S113-D116 WeakPolarHBondContact O-CB 3.39Å; S113-D116 PolarHBondContact O-N 2.9Å
114D94.1Very high97Very high51 Ų5134.6 Ų34.627%0.27318%0.177SC..THydrogen-bonded Turntrans-690.8172.6-83.13.1000113.1R46 V84 G86R46-D114 PolarHBondContact NH1-O 2.91Å; V84-D114 HydrophobicContact CB-CB 4.18Å; V84-D114 HydrophobicContact CG1-CB 4.36Å; V84-D114 WeakPolarHBondContact CG1-O 3.49Å; V84-D114 HydrophobicContact CG2-CB 4.3Å; G86-D114 WeakPolarHBondContact CA-OD1 3.25Å; G86-D114 WeakPolarHBondContact CA-OD2 3.45Å; G86-D114 PolarHBondContact N-OD1 3.04Å
115E92.9Very high96.9Very high117 Ų11735.7 Ų35.755%0.54718%0.181SC..THydrogen-bonded Turntrans-76.8-30.7165.3-73.8165.9-155.600112.3R46 S113 V117 K210R46-E115 PolarHBondContact NH1-O 3.48Å; S113-E115 PolarHBondContact O-N 3.31Å; S113-E115 VanDerWaalsContact O-N 3.09Å; S113-E115 WeakPolarHBondContact OG-CB 3.43Å; S113-E115 PolarHBondContact OG-N 2.88Å; S113-E115 VanDerWaalsContact OG-N 3.14Å; E115-V117 WeakPolarHBondContact O-CG2 3.34Å; E115-V117 PolarHBondContact O-N 3.01Å; E115-K210 WeakPolarHBondContact OE1-CD 3.3Å; E115-K210 VanDerWaalsContact OE1-CE 3.27Å; E115-K210 WeakPolarHBondContact OE1-CE 3.34Å; E115-K210 IonicContact OE1-NZ 2.86Å; E115-K210 PolarHBondContact OE1-NZ 3.29Å
116D95.8Very high96.8Very high41 Ų4132.8 Ų32.822%0.21917%0.167CC..SBendtrans-75.2115.5175.1-58.3-83.5000109.4S112 S113 Y119S112-D116 VanDerWaalsContact CA-OD2 3.29Å; S112-D116 WeakPolarHBondContact CA-OD2 3.5Å; S112-D116 WeakPolarHBondContact CB-OD2 3.47Å; S113-D116 PolarHBondContact N-OD2 3.08Å; S113-D116 WeakPolarHBondContact O-CB 3.39Å; S113-D116 PolarHBondContact O-N 2.9Å; D116-Y119 HydrophobicContact CB-CD2 4.5Å; D116-Y119 HydrophobicContact CB-CE1 4.42Å; D116-Y119 HydrophobicContact CB-CE2 3.8Å; D116-Y119 PolarHBondContact OD1-OH 3.28Å
117V97.5Very high96.6Very high53 Ų5331.6 Ų31.632%0.32116%0.163SC..  trans-107.8133.5-175.6-164.80000110.5K81 H83 V84 E115 Y119K81-V117 VanDerWaalsContact O-CG1 3.23Å; K81-V117 WeakPolarHBondContact O-CG1 3.47Å; H83-V117 WeakPolarHBondContact O-CG1 3.48Å; V84-V117 HydrophobicContact CG1-CG2 4.3Å; E115-V117 WeakPolarHBondContact O-CG2 3.34Å; E115-V117 PolarHBondContact O-N 3.01Å; V117-Y119 VanDerWaalsContact C-N 3.35Å
118G98Very high96.6Very high1 Ų131.1 Ų31.11%0.0115%0.153CC..SBendtrans87.6-4.2174.800000115.2L78 S80 H83L78-G118 PolarHBondContact N-O 3.2Å; S80-G118 WeakPolarHBondContact O-CA 3.38Å; H83-G118 PolarHBondContact O-N 2.85Å
119Y98.6Very high96.5Very high53 Ų5335.7 Ų35.721%0.20817%0.174CC..EExtended strand (participates in β ladder)trans-148.9166.1176.866-93000112.8R75 F76 L78 D116 V117 D121R75-Y119 HydrophobicContact CG-CD2 3.92Å; R75-Y119 HydrophobicContact CG-CG 3.95Å; R75-Y119 VanDerWaalsContact NE-CD2 3.32Å; R75-Y119 VanDerWaalsContact NH2-CE2 3.3Å; F76-Y119 CarbonylContact O-C 3.56Å; F76-Y119 WeakPolarHBondContact O-CA 3.23Å; F76-Y119 WeakPolarHBondContact O-CB 3.34Å; L78-Y119 WeakPolarHBondContact CD1-O 3.3Å; D116-Y119 HydrophobicContact CB-CD2 4.5Å; D116-Y119 HydrophobicContact CB-CE1 4.42Å; D116-Y119 HydrophobicContact CB-CE2 3.8Å; D116-Y119 PolarHBondContact OD1-OH 3.28Å; V117-Y119 VanDerWaalsContact C-N 3.35Å; Y119-D121 WeakPolarHBondContact CE2-OD2 3.44Å
120V98.6Very high96.3Very high0 Ų040.3 Ų40.30%020%0.198CC..EExtended strand (participates in β ladder)trans-130.6132.7167.555.30000108.9L59 R75 F76 L78 L85 P110 S112 L122 F156L59-V120 HydrophobicContact CD1-CG1 4.11Å; R75-V120 WeakPolarHBondContact CA-O 3.4Å; F76-V120 HydrophobicContact CB-CG1 3.83Å; F76-V120 PolarHBondContact N-O 2.98Å; F76-V120 PolarHBondContact O-N 2.86Å; L78-V120 HydrophobicContact CD2-CB 4.27Å; L78-V120 HydrophobicContact CD2-CG1 4.02Å; L85-V120 HydrophobicContact CD1-CB 4.37Å; L85-V120 HydrophobicContact CD1-CG1 4.46Å; L85-V120 HydrophobicContact CD1-CG2 4.4Å; L85-V120 HydrophobicContact CD2-CB 4.4Å; L85-V120 HydrophobicContact CD2-CG2 3.71Å; P110-V120 HydrophobicContact CB-CG2 3.64Å; P110-V120 HydrophobicContact CG-CG2 3.82Å; S112-V120 WeakPolarHBondContact OG-CA 3.3Å; V120-L122 HydrophobicContact CG2-CD2 4.46Å; V120-F156 HydrophobicContact CG1-CE1 3.94Å; V120-F156 HydrophobicContact CG1-CZ 4.15Å
121D98.4Very high95.9Very high10 Ų1043.9 Ų43.95%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-104.3127.9177.8-77.4-31.7000111.2R73 F74 R75 P110 I111 S112 Y119R73-D121 HydrophobicContact CG-CB 4.29Å; R73-D121 IonicContact NH1-OD1 3.33Å; R73-D121 PolarHBondContact NH1-OD1 3.08Å; R73-D121 IonicContact NH1-OD2 2.8Å; F74-D121 WeakPolarHBondContact O-CA 3.33Å; R75-D121 WeakPolarHBondContact CA-OD1 3.48Å; R75-D121 WeakPolarHBondContact CB-OD1 3.45Å; R75-D121 WeakPolarHBondContact CG-OD1 3.18Å; R75-D121 IonicContact CZ-OD1 2.8Å; R75-D121 IonicContact CZ-OD2 3.26Å; R75-D121 IonicContact NE-OD1 2.79Å; R75-D121 PolarHBondContact NE-OD1 3Å; R75-D121 IonicContact NE-OD2 2.93Å; R75-D121 PolarHBondContact NE-OD2 3.19Å; R75-D121 IonicContact NH2-OD1 3.49Å; R75-D121 IonicContact NH2-OD2 3.29Å; R75-D121 PolarHBondContact NH2-OD2 2.73Å; P110-D121 WeakPolarHBondContact CA-O 3.42Å; I111-D121 HydrophobicContact CD1-CB 4.26Å; I111-D121 HydrophobicContact CG1-CB 3.89Å; I111-D121 WeakPolarHBondContact CG1-O 3.48Å; I111-D121 PolarHBondContact N-O 3.03Å; S112-D121 PolarHBondContact OG-N 2.9Å; S112-D121 VanDerWaalsContact OG-N 3.08Å; Y119-D121 WeakPolarHBondContact CE2-OD2 3.44Å
122L98.3Very high95.4Very high1 Ų146 Ų461%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-111.3124.8169.8-56.3-176.6000109R73 F74 F76 I93 L95 P110 V120 V124 F156R73-L122 WeakPolarHBondContact CA-O 3.49Å; F74-L122 PolarHBondContact N-O 2.64Å; F74-L122 PolarHBondContact O-N 2.7Å; F76-L122 HydrophobicContact CD2-CD1 4.35Å; F76-L122 HydrophobicContact CD2-CG 4.48Å; F76-L122 HydrophobicContact CE2-CD1 3.96Å; F76-L122 HydrophobicContact CE2-CG 4.4Å; I93-L122 HydrophobicContact CD1-CD1 4.48Å; L95-L122 HydrophobicContact CD1-CD1 3.74Å; L95-L122 HydrophobicContact CD2-CD1 4.22Å; L95-L122 HydrophobicContact CG-CD1 4.28Å; P110-L122 HydrophobicContact CB-CD2 3.96Å; P110-L122 HydrophobicContact CG-CD2 3.77Å; V120-L122 HydrophobicContact CG2-CD2 4.46Å; L122-V124 HydrophobicContact CB-CG2 4.11Å; L122-F156 HydrophobicContact CD1-CE1 4.19Å; L122-F156 HydrophobicContact CD1-CZ 4.06Å
123V97Very high95Very high10 Ų1051.3 Ų51.36%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-99.8121.3168.5171.80000108.9L67 T71 R72 R73 I111 L233L67-V123 HydrophobicContact CD1-CG1 3.92Å; L67-V123 HydrophobicContact CD1-CG2 3.92Å; T71-V123 HydrophobicContact CG2-CG1 3.66Å; R72-V123 WeakPolarHBondContact O-CA 3.45Å; R73-V123 HydrophobicContact CB-CG2 4.12Å; R73-V123 HydrophobicContact CG-CG2 4.18Å; I111-V123 HydrophobicContact CD1-CB 4.48Å; I111-V123 HydrophobicContact CD1-CG2 3.46Å; I111-V123 VanDerWaalsContact CD1-CG2 3.46Å; I111-V123 HydrophobicContact CG1-CG2 3.98Å; I111-V123 HydrophobicContact CG2-CB 4.31Å; I111-V123 HydrophobicContact CG2-CG2 4.44Å; V123-L233 HydrophobicContact CB-CD2 4.32Å; V123-L233 HydrophobicContact CG1-CD1 4.41Å; V123-L233 HydrophobicContact CG1-CD2 4.04Å; V123-L233 HydrophobicContact CG1-CG 4.28Å; V123-L233 HydrophobicContact CG2-CD2 4.12Å
124V96.7Very high94.8Very high6 Ų657.6 Ų57.64%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-132.8125.2-168.7177.80000109.4T71 R72 F74 Y108 L122 V126 T142 L145T71-V124 WeakPolarHBondContact CA-O 3.35Å; R72-V124 PolarHBondContact N-O 3.34Å; R72-V124 PolarHBondContact O-N 2.81Å; F74-V124 HydrophobicContact CD2-CB 4.11Å; F74-V124 HydrophobicContact CD2-CG2 4.11Å; F74-V124 HydrophobicContact CE2-CB 3.93Å; F74-V124 HydrophobicContact CE2-CG2 4.37Å; Y108-V124 HydrophobicContact CD1-CG2 3.81Å; Y108-V124 HydrophobicContact CE1-CG1 4.01Å; Y108-V124 HydrophobicContact CE1-CG2 3.72Å; L122-V124 HydrophobicContact CB-CG2 4.11Å; V124-V126 PolarHBondContact O-N 2.99Å; V124-T142 HydrophobicContact CG1-CG2 3.59Å; V124-L145 HydrophobicContact CG1-CD1 4.29Å; V124-L145 HydrophobicContact CG2-CD1 4.22Å
125K95.1Very high94.6Very high31 Ų3161.6 Ų61.614%0.13530%0.304CS..EExtended strand (participates in β ladder)trans-74.2118.9162.2-177.2174.2174109.60108.6D70 Y127 T142 T196 D230 L232D70-K125 CarbonylContact O-C 3.54Å; D70-K125 WeakPolarHBondContact O-CA 3.36Å; D70-K125 WeakPolarHBondContact OD2-CE 3.45Å; D70-K125 IonicContact OD2-NZ 2.63Å; D70-K125 PolarHBondContact OD2-NZ 3.36Å; K125-Y127 HydrophobicContact CB-CE2 4.49Å; K125-Y127 HydrophobicContact CD-CE1 4.24Å; K125-Y127 WeakPolarHBondContact O-CD2 3.4Å; K125-Y127 PolarHBondContact O-N 3.43Å; K125-T142 WeakPolarHBondContact O-CG2 3.36Å; K125-T196 HydrophobicContact CB-CG2 3.66Å; K125-T196 HydrophobicContact CD-CG2 4.34Å; K125-D230 IonicContact NZ-OD1 3.74Å; K125-D230 PolarHBondContact NZ-OD1 3.03Å; K125-L232 HydrophobicContact CB-CD2 4.22Å; K125-L232 HydrophobicContact CD-CD1 4.37Å
126V96.6Very high94.7Very high2 Ų259.4 Ų59.41%0.01230%0.3CS..  trans-81.4109.7174.9-1760000108.8D70 R72 V124 F128 Q143 E146D70-V126 PolarHBondContact O-N 2.88Å; R72-V126 HydrophobicContact CG-CG2 4.48Å; V124-V126 PolarHBondContact O-N 2.99Å; V126-F128 HydrophobicContact CB-CD2 4.41Å; V126-F128 HydrophobicContact CB-CE1 4.42Å; V126-F128 HydrophobicContact CB-CE2 3.84Å; V126-F128 HydrophobicContact CB-CZ 3.82Å; V126-F128 HydrophobicContact CG1-CD1 3.95Å; V126-F128 HydrophobicContact CG1-CD2 4.19Å; V126-F128 HydrophobicContact CG1-CE1 3.57Å; V126-F128 HydrophobicContact CG1-CE2 3.83Å; V126-F128 HydrophobicContact CG1-CG 4.23Å; V126-F128 HydrophobicContact CG1-CZ 3.47Å; V126-F128 VanDerWaalsContact CG1-CZ 3.47Å; V126-F128 WeakPolarHBondContact O-CD2 3.44Å; V126-F128 PolarHBondContact O-N 2.87Å; V126-F128 VanDerWaalsContact O-N 3.1Å; V126-Q143 HydrophobicContact CG1-CG 4.41Å; V126-E146 HydrophobicContact CG1-CB 3.96Å; V126-E146 HydrophobicContact CG1-CG 4.28Å; V126-E146 HydrophobicContact CG2-CB 4.25Å
127Y94.9Very high94.6Very high92 Ų9261 Ų6136%0.36132%0.319SS..  trans-79.590.9172.5-63.6-86000108.7K125 G138 G139 T142 Q143 T196K125-Y127 HydrophobicContact CB-CE2 4.49Å; K125-Y127 HydrophobicContact CD-CE1 4.24Å; K125-Y127 WeakPolarHBondContact O-CD2 3.4Å; K125-Y127 PolarHBondContact O-N 3.43Å; Y127-G138 CarbonylContact O-C 3.55Å; Y127-G138 VanDerWaalsContact O-CA 3.25Å; Y127-G138 WeakPolarHBondContact O-CA 3.5Å; Y127-G139 PolarHBondContact O-N 2.8Å; Y127-T142 HydrophobicContact CD2-CG2 4.17Å; Y127-T142 PolarHBondContact N-OG1 3.36Å; Y127-Q143 WeakPolarHBondContact O-CG 3.26Å; Y127-T196 HydrophobicContact CE2-CG2 4.49Å; Y127-T196 WeakPolarHBondContact OH-CG2 3.25Å
128F96.4Very high94.5Very high63 Ų6359.6 Ų59.628%0.27632%0.315SS..  trans-65.7150.1177.8-70.3-71.9000112.2D70 R72 V126 S131 E146D70-F128 HydrophobicContact CB-CE2 4.37Å; R72-F128 VanDerWaalsContact NH2-CZ 3.33Å; V126-F128 HydrophobicContact CB-CD2 4.41Å; V126-F128 HydrophobicContact CB-CE1 4.42Å; V126-F128 HydrophobicContact CB-CE2 3.84Å; V126-F128 HydrophobicContact CB-CZ 3.82Å; V126-F128 HydrophobicContact CG1-CD1 3.95Å; V126-F128 HydrophobicContact CG1-CD2 4.19Å; V126-F128 HydrophobicContact CG1-CE1 3.57Å; V126-F128 HydrophobicContact CG1-CE2 3.83Å; V126-F128 HydrophobicContact CG1-CG 4.23Å; V126-F128 HydrophobicContact CG1-CZ 3.47Å; V126-F128 VanDerWaalsContact CG1-CZ 3.47Å; V126-F128 WeakPolarHBondContact O-CD2 3.44Å; V126-F128 PolarHBondContact O-N 2.87Å; V126-F128 VanDerWaalsContact O-N 3.1Å; F128-S131 WeakPolarHBondContact O-CB 3.5Å; F128-S131 PolarHBondContact O-N 2.96Å; F128-S131 PolarHBondContact O-OG 3.04Å; F128-E146 HydrophobicContact CE1-CG 4Å; F128-E146 HydrophobicContact CZ-CG 4.27Å
129K95.9Very high94.4Very high131 Ų13160.4 Ų60.457%0.5732%0.323SS*.THydrogen-bonded Turntrans-51.5143.9166.8-162.8-167.9169.3-176.50110.7S131 P136K129-S131 PolarHBondContact O-N 3.06Å; K129-P136 CarbonylContact C-O 3.57Å; K129-P136 WeakPolarHBondContact CA-O 3.11Å; K129-P136 WeakPolarHBondContact CG-O 3.33Å
130D93.7Very high94.4Very high115 Ų11561.7 Ų61.762%0.61533%0.33SS*.THydrogen-bonded Turntrans60.69.2175.5-52.8-47.2000115P136D130-P136 PolarHBondContact N-O 3.17Å
131S89.1Confident94.4Very high75 Ų7561.9 Ų61.952%0.52433%0.331SS..SBendtrans-81.2-20.3177.967.60000114.1F128 K129F128-S131 WeakPolarHBondContact O-CB 3.5Å; F128-S131 PolarHBondContact O-N 2.96Å; F128-S131 PolarHBondContact O-OG 3.04Å; K129-S131 PolarHBondContact O-N 3.06Å
132H85.7Confident94.3Very high61 Ų6161.9 Ų61.928%0.28233%0.331SS..SBendtrans-136.8126-177.7-168.6-78.6000111.7K134 F135H132-K134 VanDerWaalsContact C-N 3.29Å; H132-K134 PolarHBondContact ND1-N 2.99Å; H132-K134 VanDerWaalsContact ND1-N 3.17Å; H132-K134 PolarHBondContact O-N 2.8Å; H132-F135 HydrophobicContact CB-CB 4.4Å; H132-F135 AromaticContact CE1-CD2 3.83Å; H132-F135 AromaticContact ND1-CD2 3.41Å; H132-F135 WeakPolarHBondContact ND1-CD2 3.2Å; H132-F135 CarbonylContact O-C 3.25Å; H132-F135 PolarHBondContact O-N 3.28Å
133P87.7Confident94.3Very high124 Ų12463.9 Ų63.981%0.80534%0.34SS*.THydrogen-bonded Turntrans-63.2-32.1-171.823.9-34.3000113.5F135P133-F135 VanDerWaalsContact C-N 3.34Å
134K89.2Confident94.4Very high172 Ų17265.4 Ų65.475%0.74835%0.347SS*.THydrogen-bonded Turntrans-79.4-14175.5-55.9-176.7177.3176.90114H132H132-K134 VanDerWaalsContact C-N 3.29Å; H132-K134 PolarHBondContact ND1-N 2.99Å; H132-K134 VanDerWaalsContact ND1-N 3.17Å; H132-K134 PolarHBondContact O-N 2.8Å
135F91.1Very high94.5Very high136 Ų13665.1 Ų65.160%0.59635%0.345SS*.  trans-138.262.1-174.4-56.4-67.7000110.7H132 P133 A137 G138H132-F135 HydrophobicContact CB-CB 4.4Å; H132-F135 AromaticContact CE1-CD2 3.83Å; H132-F135 AromaticContact ND1-CD2 3.41Å; H132-F135 WeakPolarHBondContact ND1-CD2 3.2Å; H132-F135 CarbonylContact O-C 3.25Å; H132-F135 PolarHBondContact O-N 3.28Å; P133-F135 VanDerWaalsContact C-N 3.34Å; F135-A137 PolarHBondContact O-N 2.78Å; F135-G138 PolarHBondContact O-N 2.96Å
136P93.6Very high94.6Very high71 Ų7165.7 Ų65.746%0.46135%0.348SS..THydrogen-bonded Turntrans-62.3-29.4-173.125.1-35000113.1K129 D130 G138K129-P136 CarbonylContact C-O 3.57Å; K129-P136 WeakPolarHBondContact CA-O 3.11Å; K129-P136 WeakPolarHBondContact CG-O 3.33Å; D130-P136 PolarHBondContact N-O 3.17Å; P136-G138 PolarHBondContact O-N 3.08Å
137A94.9Very high94.7Very high75 Ų7572.6 Ų72.662%0.6238%0.38SS*.THydrogen-bonded Turntrans-71.2-10.917700000114.3F135 Q143F135-A137 PolarHBondContact O-N 2.78Å; A137-Q143 PolarHBondContact O-NE2 3.24Å
138G95.3Very high94.9Very high22 Ų2269 Ų6923%0.22737%0.367CS..  trans66.8-161.7-173.100000113.4Y127 F135 P136Y127-G138 CarbonylContact O-C 3.55Å; Y127-G138 VanDerWaalsContact O-CA 3.25Å; Y127-G138 WeakPolarHBondContact O-CA 3.5Å; F135-G138 PolarHBondContact O-N 2.96Å; P136-G138 PolarHBondContact O-N 3.08Å
139G96.2Very high95Very high18 Ų1872.8 Ų72.819%0.18639%0.386CS..  trans-95.8115.8179.600000111.7Y127 M141 T142 Q143Y127-G139 PolarHBondContact O-N 2.8Å; G139-M141 PolarHBondContact O-N 3Å; G139-T142 PolarHBondContact O-N 3.36Å; G139-T142 PolarHBondContact O-OG1 3.43Å; G139-Q143 WeakPolarHBondContact O-CB 3.26Å; G139-Q143 WeakPolarHBondContact O-CG 3.49Å; G139-Q143 PolarHBondContact O-N 2.98Å; G139-Q143 PolarHBondContact O-NE2 3.49Å
140K97.4Very high95.1Very high81 Ų8172.2 Ų72.235%0.35239%0.388SS..Hα-helixtrans-52.1-58.4179.1-66.8-168.1178.9-161.10112.2I99 E102 I104 T142 H144I99-K140 HydrophobicContact CD1-CB 4.43Å; E102-K140 VanDerWaalsContact CD-NZ 3.29Å; E102-K140 IonicContact OE1-NZ 3.89Å; E102-K140 PolarHBondContact OE1-NZ 3.16Å; E102-K140 IonicContact OE2-NZ 3.57Å; E102-K140 PolarHBondContact OE2-NZ 3.27Å; I104-K140 HydrophobicContact CD1-CD 3.91Å; I104-K140 HydrophobicContact CG1-CD 4.3Å; K140-T142 PolarHBondContact O-N 3.34Å; K140-H144 WeakPolarHBondContact O-CB 3.26Å; K140-H144 PolarHBondContact O-N 2.81Å
141M98.3Very high95.3Very high4 Ų468.9 Ų68.92%0.0238%0.381CS..Hα-helixtrans-65.7-38.5-178.3-176.763.674.600112.6L95 A97 I99 I104 R106 Y108 G139 H144 L145 I154L95-M141 HydrophobicContact CB-CE 4.04Å; L95-M141 HydrophobicContact CB-SD 4.09Å; L95-M141 WeakPolarHBondContact O-CE 3.33Å; A97-M141 HydrophobicContact CB-CE 4.02Å; A97-M141 HydrophobicContact CB-SD 4.25Å; I99-M141 HydrophobicContact CD1-SD 4.47Å; I104-M141 HydrophobicContact CB-CE 4.3Å; I104-M141 HydrophobicContact CG2-CB 4.32Å; I104-M141 HydrophobicContact CG2-CE 4.03Å; I104-M141 WeakPolarHBondContact O-CE 3.46Å; R106-M141 HydrophobicContact CB-CB 4.27Å; R106-M141 HydrophobicContact CB-CG 4.18Å; R106-M141 HydrophobicContact CG-CB 3.82Å; R106-M141 HydrophobicContact CG-CG 4.28Å; Y108-M141 HydrophobicContact CE2-CG 3.79Å; Y108-M141 WeakPolarHBondContact OH-CG 3.43Å; G139-M141 PolarHBondContact O-N 3Å; M141-H144 PolarHBondContact O-N 2.83Å; M141-L145 HydrophobicContact CG-CD1 4.45Å; M141-L145 WeakPolarHBondContact O-CG 3.18Å; M141-L145 PolarHBondContact O-N 2.75Å; M141-I154 HydrophobicContact SD-CD1 3.84Å
142T98Very high95.8Very high10 Ų1068.6 Ų68.66%0.06137%0.374CS..Hα-helixtrans-73.1-34.5-177.259.70000112.6V124 K125 Y127 G139 K140 E146V124-T142 HydrophobicContact CG1-CG2 3.59Å; K125-T142 WeakPolarHBondContact O-CG2 3.36Å; Y127-T142 HydrophobicContact CD2-CG2 4.17Å; Y127-T142 PolarHBondContact N-OG1 3.36Å; G139-T142 PolarHBondContact O-N 3.36Å; G139-T142 PolarHBondContact O-OG1 3.43Å; K140-T142 PolarHBondContact O-N 3.34Å; T142-E146 WeakPolarHBondContact O-CB 3.36Å; T142-E146 PolarHBondContact O-N 3.24Å
143Q98.3Very high96.4Very high42 Ų4272 Ų7220%0.19639%0.388CS..Hα-helixtrans-72.1-35.1172.8-70.7176.9105.700111.4V126 Y127 A137 G139 E146 Q147V126-Q143 HydrophobicContact CG1-CG 4.41Å; Y127-Q143 WeakPolarHBondContact O-CG 3.26Å; A137-Q143 PolarHBondContact O-NE2 3.24Å; G139-Q143 WeakPolarHBondContact O-CB 3.26Å; G139-Q143 WeakPolarHBondContact O-CG 3.49Å; G139-Q143 PolarHBondContact O-N 2.98Å; G139-Q143 PolarHBondContact O-NE2 3.49Å; Q143-E146 WeakPolarHBondContact O-CB 3.41Å; Q143-E146 PolarHBondContact O-N 2.82Å; Q143-Q147 VanDerWaalsContact O-CG 3.32Å; Q143-Q147 WeakPolarHBondContact O-CG 3.48Å; Q143-Q147 PolarHBondContact O-N 2.84Å; Q143-Q147 VanDerWaalsContact O-N 3.08Å
144H98.4Very high96.9Very high43 Ų4366.2 Ų66.220%0.19935%0.35CS..Hα-helixtrans-61.1-47.2170.2176.668.5000111.7I99 K140 M141 E146 Q147 L148I99-H144 HydrophobicContact CD1-CB 3.51Å; I99-H144 HydrophobicContact CG1-CB 4.03Å; K140-H144 WeakPolarHBondContact O-CB 3.26Å; K140-H144 PolarHBondContact O-N 2.81Å; M141-H144 PolarHBondContact O-N 2.83Å; H144-E146 VanDerWaalsContact C-N 3.28Å; H144-E146 PolarHBondContact O-N 3.08Å; H144-Q147 PolarHBondContact O-N 3.11Å; H144-Q147 VanDerWaalsContact O-N 3.09Å; H144-L148 WeakPolarHBondContact O-CG 3.23Å; H144-L148 PolarHBondContact O-N 3.02Å
145L98.6Very high97.3Very high0 Ų058.6 Ų58.60%032%0.318CS..Hα-helixtrans-57.3-41.1172.9-74.4173.2000112.2F74 F76 L95 Y108 V124 M141 Q147 L148 I154F74-L145 HydrophobicContact CE1-CB 4.14Å; F74-L145 WeakPolarHBondContact CE1-O 3.38Å; F74-L145 HydrophobicContact CE2-CB 4.09Å; F74-L145 HydrophobicContact CZ-CB 3.82Å; F76-L145 HydrophobicContact CZ-CD2 3.95Å; L95-L145 HydrophobicContact CD1-CD1 3.87Å; L95-L145 HydrophobicContact CD1-CD2 3.99Å; L95-L145 HydrophobicContact CD1-CG 4.39Å; Y108-L145 HydrophobicContact CE1-CD1 4.34Å; V124-L145 HydrophobicContact CG1-CD1 4.29Å; V124-L145 HydrophobicContact CG2-CD1 4.22Å; M141-L145 HydrophobicContact CG-CD1 4.45Å; M141-L145 WeakPolarHBondContact O-CG 3.18Å; M141-L145 PolarHBondContact O-N 2.75Å; L145-Q147 PolarHBondContact O-N 2.73Å; L145-L148 HydrophobicContact CD2-CD1 3.84Å; L145-L148 PolarHBondContact O-N 3.32Å; L145-I154 HydrophobicContact CD2-CD1 3.95Å
146E98.1Very high97.7Very high43 Ų4352.1 Ų52.120%0.20129%0.29CS..Hα-helixtrans-62.6-30.7177.4179.365.3173.100112.9K64 R72 V126 F128 T142 Q143 H144K64-E146 WeakPolarHBondContact CE-OE2 3.36Å; K64-E146 PolarHBondContact NZ-O 2.78Å; K64-E146 IonicContact NZ-OE1 3.41Å; K64-E146 IonicContact NZ-OE2 2.73Å; K64-E146 PolarHBondContact NZ-OE2 3.4Å; R72-E146 IonicContact CZ-OE1 2.7Å; R72-E146 IonicContact CZ-OE2 3.86Å; R72-E146 VanDerWaalsContact NE-CD 3.33Å; R72-E146 IonicContact NE-OE1 3.31Å; R72-E146 PolarHBondContact NE-OE1 2.84Å; R72-E146 IonicContact NE-OE2 3.68Å; R72-E146 PolarHBondContact NE-OE2 3.47Å; R72-E146 IonicContact NH2-OE1 2.81Å; R72-E146 PolarHBondContact NH2-OE1 3.01Å; R72-E146 IonicContact NH2-OE2 3.22Å; V126-E146 HydrophobicContact CG1-CB 3.96Å; V126-E146 HydrophobicContact CG1-CG 4.28Å; V126-E146 HydrophobicContact CG2-CB 4.25Å; F128-E146 HydrophobicContact CE1-CG 4Å; F128-E146 HydrophobicContact CZ-CG 4.27Å; T142-E146 WeakPolarHBondContact O-CB 3.36Å; T142-E146 PolarHBondContact O-N 3.24Å; Q143-E146 WeakPolarHBondContact O-CB 3.41Å; Q143-E146 PolarHBondContact O-N 2.82Å; H144-E146 VanDerWaalsContact C-N 3.28Å; H144-E146 PolarHBondContact O-N 3.08Å
147Q97.9Very high97.9Very high146 Ų14650.8 Ų50.868%0.68228%0.276SS*.Hα-helixtrans-84.7-13.3180-70.4167.5-5.200114Q143 H144 L145 E149Q143-Q147 VanDerWaalsContact O-CG 3.32Å; Q143-Q147 WeakPolarHBondContact O-CG 3.48Å; Q143-Q147 PolarHBondContact O-N 2.84Å; Q143-Q147 VanDerWaalsContact O-N 3.08Å; H144-Q147 PolarHBondContact O-N 3.11Å; H144-Q147 VanDerWaalsContact O-N 3.09Å; L145-Q147 PolarHBondContact O-N 2.73Å; Q147-E149 PolarHBondContact O-N 2.76Å
148L98.2Very high98Very high16 Ų1647.2 Ų47.28%0.08425%0.246CC..PPolyproline II helixtrans-62.2134.3179.7-65.7-176.9000111.3L61 F76 H144 L145 D152L61-L148 HydrophobicContact CD2-CB 3.74Å; F76-L148 HydrophobicContact CE1-CD1 4.31Å; F76-L148 HydrophobicContact CZ-CD1 4.39Å; H144-L148 WeakPolarHBondContact O-CG 3.23Å; H144-L148 PolarHBondContact O-N 3.02Å; L145-L148 HydrophobicContact CD2-CD1 3.84Å; L145-L148 PolarHBondContact O-N 3.32Å; L148-D152 HydrophobicContact CB-CB 4.31Å; L148-D152 HydrophobicContact CD2-CB 3.93Å
149E98.3Very high98.1Very high144 Ų14447.5 Ų47.567%0.67324%0.244SC*.PPolyproline II helixtrans-92.3163.6170.1-62.1-171.3159.200110.8Q147 G151 D152Q147-E149 PolarHBondContact O-N 2.76Å; E149-G151 PolarHBondContact O-N 3.3Å; E149-D152 PolarHBondContact N-OD2 3Å; E149-D152 VanDerWaalsContact O-CB 3.32Å; E149-D152 WeakPolarHBondContact O-CB 3.33Å; E149-D152 PolarHBondContact O-N 2.84Å; E149-D152 VanDerWaalsContact O-N 3.12Å
150L98.6Very high98.2Very high118 Ų11847.4 Ų47.462%0.61824%0.241SC*.THydrogen-bonded Turntrans-63.1130.4176.3-62.2-177000110.2L61L61-L150 HydrophobicContact CD2-CD2 4.45Å; L61-L150 HydrophobicContact CG-CD2 4.19Å
151G98.5Very high98.1Very high46 Ų4644.8 Ų44.847%0.47424%0.236SC..THydrogen-bonded Turntrans98-22.1-174.900000113.9L61 E149L61-G151 PolarHBondContact O-N 3.27Å; E149-G151 PolarHBondContact O-N 3.3Å
152D98.5Very high98Very high68 Ų6848.2 Ų48.236%0.36425%0.249SC..  trans-61.2142175.3-74-19.6000110.9P60 L61 L148 E149P60-D152 CarbonylContact C-O 3.18Å; P60-D152 VanDerWaalsContact CA-O 3.28Å; P60-D152 WeakPolarHBondContact CA-O 3.31Å; L61-D152 PolarHBondContact N-O 2.84Å; L148-D152 HydrophobicContact CB-CB 4.31Å; L148-D152 HydrophobicContact CD2-CB 3.93Å; E149-D152 PolarHBondContact N-OD2 3Å; E149-D152 VanDerWaalsContact O-CB 3.32Å; E149-D152 WeakPolarHBondContact O-CB 3.33Å; E149-D152 PolarHBondContact O-N 2.84Å; E149-D152 VanDerWaalsContact O-N 3.12Å
153K98.5Very high98Very high132 Ų13247.8 Ų47.857%0.57425%0.246SC*.EExtended strand (participates in β ladder)trans-110.2141.1-176.1-61.5-177.4-175.8177.60111.3L58 L59 P60L58-K153 HydrophobicContact CB-CB 4.38Å; L58-K153 HydrophobicContact CB-CD 4.25Å; L59-K153 WeakPolarHBondContact O-CA 2.95Å; P60-K153 HydrophobicContact CB-CG 4.05Å
154I98.6Very high98Very high4 Ų448.8 Ų48.82%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-125.2150.6169.7-166.9166.3000110.3L59 F76 L95 A97 M141 L145 F156L59-I154 PolarHBondContact N-O 3.07Å; L59-I154 PolarHBondContact O-N 3.43Å; L59-I154 VanDerWaalsContact O-N 3.15Å; F76-I154 HydrophobicContact CD1-CG2 3.98Å; F76-I154 HydrophobicContact CE1-CG2 3.38Å; F76-I154 HydrophobicContact CZ-CG2 3.82Å; L95-I154 HydrophobicContact CB-CD1 4.09Å; L95-I154 HydrophobicContact CD1-CD1 4.19Å; L95-I154 HydrophobicContact CD2-CD1 4.42Å; L95-I154 HydrophobicContact CD2-CG2 4.08Å; L95-I154 HydrophobicContact CG-CD1 4.48Å; A97-I154 HydrophobicContact CB-CD1 4.25Å; A97-I154 HydrophobicContact CB-CG1 4.43Å; M141-I154 HydrophobicContact SD-CD1 3.84Å; L145-I154 HydrophobicContact CD2-CD1 3.95Å; I154-F156 HydrophobicContact CG2-CD2 4.06Å; I154-F156 HydrophobicContact CG2-CE2 3.53Å; I154-F156 HydrophobicContact CG2-CZ 4.49Å
155S98.6Very high98Very high11 Ų1147.3 Ų47.38%0.07724%0.244CC..EExtended strand (participates in β ladder)trans-84.2118.4-178.7170.90000111K56 L95 I96K56-S155 WeakPolarHBondContact CB-OG 3.32Å; K56-S155 WeakPolarHBondContact CG-OG 3.26Å; L95-S155 WeakPolarHBondContact CA-O 3.31Å; I96-S155 PolarHBondContact N-O 3.04Å; I96-S155 WeakPolarHBondContact O-CB 3.42Å; I96-S155 PolarHBondContact O-N 3.03Å
156F98.7Very high98Very high0 Ų051.1 Ų51.10%026%0.264CS..EExtended strand (participates in β ladder)trans-91.1140.4168.2-75.3-115.9000109.9K56 Y57 L59 F76 I93 H94 L95 V120 L122 I154K56-F156 CarbonylContact C-O 3.5Å; K56-F156 WeakPolarHBondContact CA-O 3.42Å; Y57-F156 PolarHBondContact N-O 2.79Å; Y57-F156 PolarHBondContact O-N 2.96Å; L59-F156 HydrophobicContact CB-CD2 3.85Å; L59-F156 HydrophobicContact CB-CE2 3.83Å; L59-F156 HydrophobicContact CD1-CB 4.29Å; L59-F156 HydrophobicContact CD1-CD1 3.99Å; L59-F156 HydrophobicContact CD1-CD2 3.65Å; L59-F156 HydrophobicContact CD1-CE1 4.21Å; L59-F156 HydrophobicContact CD1-CE2 3.89Å; L59-F156 HydrophobicContact CD1-CG 3.71Å; L59-F156 HydrophobicContact CD1-CZ 4.18Å; L59-F156 HydrophobicContact CG-CD2 3.75Å; L59-F156 HydrophobicContact CG-CE2 4.15Å; L59-F156 HydrophobicContact CG-CG 4.17Å; F76-F156 HydrophobicContact CB-CE2 4.17Å; F76-F156 HydrophobicContact CB-CZ 3.97Å; F76-F156 AromaticContact CD1-CE2 3.92Å; F76-F156 HydrophobicContact CD1-CE2 3.92Å; F76-F156 HydrophobicContact CD1-CZ 4.21Å; F76-F156 HydrophobicContact CD2-CE2 4.12Å; F76-F156 AromaticContact CD2-CZ 3.56Å; F76-F156 HydrophobicContact CD2-CZ 3.56Å; F76-F156 HydrophobicContact CE1-CE2 4.36Å; F76-F156 HydrophobicContact CE2-CZ 4.06Å; F76-F156 AromaticContact CG-CE2 3.79Å; F76-F156 HydrophobicContact CG-CE2 3.79Å; F76-F156 AromaticContact CG-CZ 3.64Å; F76-F156 HydrophobicContact CG-CZ 3.64Å; I93-F156 HydrophobicContact CB-CD1 4.3Å; I93-F156 HydrophobicContact CD1-CD1 3.57Å; I93-F156 HydrophobicContact CD1-CE1 3.7Å; I93-F156 HydrophobicContact CD1-CG 4.44Å; I93-F156 HydrophobicContact CG1-CD1 3.79Å; I93-F156 HydrophobicContact CG1-CE1 4.04Å; H94-F156 CarbonylContact O-C 3.57Å; H94-F156 WeakPolarHBondContact O-CA 3.38Å; L95-F156 HydrophobicContact CD2-CD1 4.02Å; L95-F156 HydrophobicContact CD2-CD2 3.78Å; L95-F156 HydrophobicContact CD2-CE1 3.84Å; L95-F156 HydrophobicContact CD2-CE2 3.59Å; L95-F156 HydrophobicContact CD2-CG 3.98Å; L95-F156 HydrophobicContact CD2-CZ 3.61Å; V120-F156 HydrophobicContact CG1-CE1 3.94Å; V120-F156 HydrophobicContact CG1-CZ 4.15Å; L122-F156 HydrophobicContact CD1-CE1 4.19Å; L122-F156 HydrophobicContact CD1-CZ 4.06Å; I154-F156 HydrophobicContact CG2-CD2 4.06Å; I154-F156 HydrophobicContact CG2-CE2 3.53Å; I154-F156 HydrophobicContact CG2-CZ 4.49Å
157R98.5Very high98Very high44 Ų4449.8 Ų49.817%0.16626%0.261CS..EExtended strand (participates in β ladder)trans-138.4134.3169.6-179.4174.465.9765.3110.4P53 D55 I93 H94 I96P53-R157 VanDerWaalsContact O-CG 3.26Å; P53-R157 WeakPolarHBondContact O-CG 3.38Å; D55-R157 WeakPolarHBondContact O-CG 3.39Å; I93-R157 CarbonylContact C-O 3.49Å; I93-R157 WeakPolarHBondContact CA-O 3.5Å; H94-R157 HydrophobicContact CB-CB 4.46Å; H94-R157 PolarHBondContact N-O 2.71Å; H94-R157 PolarHBondContact O-N 3.33Å; I96-R157 HydrophobicContact CD1-CB 3.83Å
158G97.5Very high98Very high0 Ų047.5 Ų47.50%025%0.254CS..EExtended strand (participates in β ladder)trans162.2-178.2-178.300000111.7P53P53-G158 VanDerWaalsContact CA-O 3.31Å; P53-G158 WeakPolarHBondContact CA-O 3.49Å
159P97.1Very high97.9Very high28 Ų2846.8 Ų46.818%0.18225%0.251CS..EExtended strand (participates in β ladder)cis-80.6154.311.637.4-40.1000112.8L50 P53 L87 P88 Q91L50-P159 HydrophobicContact CD1-CB 4.34Å; P53-P159 WeakPolarHBondContact CB-O 3.21Å; L87-P159 HydrophobicContact CD1-CB 3.51Å; P88-P159 HydrophobicContact CG-CB 4.43Å; P88-P159 HydrophobicContact CG-CG 4.41Å; Q91-P159 VanDerWaalsContact OE1-CB 3.3Å
160S96.8Very high97.9Very high16 Ų1641.5 Ų41.511%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-140.3138.7178.8177.80000111.6Q91 H92 H94Q91-S160 CarbonylContact C-O 3.58Å; Q91-S160 WeakPolarHBondContact CA-O 3.28Å; Q91-S160 VanDerWaalsContact CB-O 3.3Å; Q91-S160 WeakPolarHBondContact CB-O 3.34Å; H92-S160 PolarHBondContact CE1-O 3.04Å; H92-S160 PolarHBondContact N-O 3.47Å; H92-S160 PolarHBondContact ND1-O 3.45Å; H92-S160 PolarHBondContact NE2-OG 2.75Å; H92-S160 PolarHBondContact O-N 2.73Å; H94-S160 PolarHBondContact CE1-OG 2.87Å
161G96.4Very high97.9Very high25 Ų2535.9 Ų35.926%0.25820%0.199SC..  trans158.8163.5177.800000110.9
162R96.9Very high97.9Very high77 Ų7734.5 Ų34.529%0.29118%0.182SC..SBendtrans-102.9-9.3176-71.8-178.4-62.51079.7112.8I173 K174 K175 F328 S329R162-I173 CarbonylContact O-C 3.55Å; R162-I173 WeakPolarHBondContact O-CA 3.26Å; R162-K174 HydrophobicContact CB-CB 4.18Å; R162-K174 WeakPolarHBondContact CB-O 3.38Å; R162-K174 HydrophobicContact CG-CB 4.31Å; R162-K174 PolarHBondContact NH1-O 3.34Å; R162-K174 PolarHBondContact O-N 3.06Å; R162-K175 PolarHBondContact NH1-O 3.37Å; R162-K175 VanDerWaalsContact NH1-O 3.16Å; R162-F328 HydrophobicContact CB-CE2 3.74Å; R162-F328 HydrophobicContact CB-CZ 3.85Å; R162-F328 VanDerWaalsContact NH1-CE2 3.27Å; R162-S329 PolarHBondContact NH2-O 2.86Å
163L97.8Very high97.8Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-117.9139.2179-179.8152.3000109G90 Q91 F171 S172 I173 L301 F328 Y330G90-L163 CarbonylContact C-O 3.51Å; G90-L163 VanDerWaalsContact C-O 3.25Å; G90-L163 VanDerWaalsContact O-O 3.08Å; Q91-L163 VanDerWaalsContact CG-O 3.29Å; Q91-L163 WeakPolarHBondContact CG-O 3.43Å; L163-F171 HydrophobicContact CD1-CD1 4.06Å; L163-F171 HydrophobicContact CD2-CD1 3.87Å; L163-F171 HydrophobicContact CD2-CE1 4.3Å; L163-F171 HydrophobicContact CG-CD1 4.05Å; L163-S172 CarbonylContact C-O 3.49Å; L163-S172 WeakPolarHBondContact CA-O 3.46Å; L163-I173 HydrophobicContact CD1-CD1 4.1Å; L163-I173 HydrophobicContact CD1-CG1 4.19Å; L163-I173 HydrophobicContact CG-CG1 4.2Å; L163-L301 HydrophobicContact CD1-CD2 3.56Å; L163-F328 HydrophobicContact CB-CD1 4.06Å; L163-F328 HydrophobicContact CB-CD2 4.41Å; L163-F328 HydrophobicContact CB-CE1 3.56Å; L163-F328 HydrophobicContact CB-CE2 3.95Å; L163-F328 HydrophobicContact CB-CG 4.45Å; L163-F328 HydrophobicContact CB-CZ 3.51Å; L163-F328 HydrophobicContact CD1-CB 4.2Å; L163-F328 HydrophobicContact CD1-CD1 3.54Å; L163-F328 HydrophobicContact CD1-CD2 4.36Å; L163-F328 HydrophobicContact CD1-CE1 3.93Å; L163-F328 HydrophobicContact CD1-CG 3.78Å; L163-F328 HydrophobicContact CG-CD1 4.45Å; L163-F328 HydrophobicContact CG-CE1 4.38Å; L163-Y330 HydrophobicContact CD2-CE1 4.46Å
164Q98Very high97.7Very high64 Ų6429.5 Ų29.530%0.29916%0.158SC..EExtended strand (participates in β ladder)trans-136128.9168.4178.1-179.4-400109.1P88 V89 L166 F171 S172P88-Q164 HydrophobicContact CB-CG 3.79Å; V89-Q164 CarbonylContact O-C 3.59Å; V89-Q164 VanDerWaalsContact O-CA 3.25Å; V89-Q164 WeakPolarHBondContact O-CA 3.17Å; Q164-L166 HydrophobicContact CG-CD2 3.87Å; Q164-F171 CarbonylContact O-C 3.58Å; Q164-F171 WeakPolarHBondContact O-CA 3.45Å; Q164-S172 PolarHBondContact N-O 3.05Å; Q164-S172 PolarHBondContact O-N 2.71Å
165Y98.4Very high97.4Very high11 Ų1137.4 Ų37.44%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-79.3128.3169-169.9-121.6000110.3V89 G167 N168 G169 T170 F171 L204 E207 V208 D215 T217V89-Y165 PolarHBondContact O-N 3.23Å; Y165-G167 VanDerWaalsContact CE1-CA 3.5Å; Y165-N168 PolarHBondContact OH-N 2.94Å; Y165-G169 PolarHBondContact OH-N 3.32Å; Y165-T170 WeakPolarHBondContact CD2-O 3.47Å; Y165-F171 AromaticContact CD2-CD1 3.74Å; Y165-F171 HydrophobicContact CD2-CD1 3.74Å; Y165-F171 HydrophobicContact CD2-CD2 4.17Å; Y165-F171 AromaticContact CD2-CE1 3.39Å; Y165-F171 HydrophobicContact CD2-CE1 3.39Å; Y165-F171 AromaticContact CD2-CE2 3.83Å; Y165-F171 HydrophobicContact CD2-CE2 3.83Å; Y165-F171 HydrophobicContact CD2-CG 4.12Å; Y165-F171 AromaticContact CD2-CZ 3.42Å; Y165-F171 HydrophobicContact CD2-CZ 3.42Å; Y165-F171 VanDerWaalsContact CD2-CZ 3.42Å; Y165-F171 HydrophobicContact CE2-CD2 4.33Å; Y165-F171 HydrophobicContact CE2-CE1 4.08Å; Y165-F171 AromaticContact CE2-CE2 3.75Å; Y165-F171 HydrophobicContact CE2-CE2 3.75Å; Y165-F171 AromaticContact CE2-CZ 3.61Å; Y165-F171 HydrophobicContact CE2-CZ 3.61Å; Y165-F171 HydrophobicContact CG-CE1 4.19Å; Y165-F171 HydrophobicContact CG-CZ 4.5Å; Y165-L204 HydrophobicContact CD1-CD1 3.85Å; Y165-L204 HydrophobicContact CD2-CD1 3.86Å; Y165-L204 HydrophobicContact CE1-CD1 4.34Å; Y165-L204 HydrophobicContact CE2-CD1 4.34Å; Y165-L204 HydrophobicContact CG-CD1 3.57Å; Y165-E207 HydrophobicContact CD1-CG 4.03Å; Y165-E207 HydrophobicContact CE1-CG 4.4Å; Y165-V208 HydrophobicContact CD1-CG2 4.41Å; Y165-V208 HydrophobicContact CE1-CG2 3.61Å; Y165-D215 WeakPolarHBondContact CE1-OD2 3.5Å; Y165-D215 PolarHBondContact OH-OD1 3.35Å; Y165-D215 VanDerWaalsContact OH-OD1 3.05Å; Y165-D215 PolarHBondContact OH-OD2 3.33Å; Y165-T217 PolarHBondContact OH-OG1 3.19Å; Y165-T217 VanDerWaalsContact OH-OG1 3.12Å
166L97.8Very high97.1Very high80 Ų8042.1 Ų42.142%0.41922%0.215SC..EExtended strand (participates in β ladder)trans-105.4-3.5-178.2-57.7-178.6000112.8Q164 T170 H183Q164-L166 HydrophobicContact CG-CD2 3.87Å; L166-T170 HydrophobicContact CB-CG2 4.37Å; L166-T170 WeakPolarHBondContact CB-O 3.32Å; L166-T170 HydrophobicContact CD1-CG2 4.21Å; L166-T170 PolarHBondContact N-O 3.04Å; L166-H183 WeakPolarHBondContact CD1-CE1 3.36Å
167G97.8Very high96.7Very high15 Ų1550 Ų5016%0.15525%0.245CC..EExtended strand (participates in β ladder)trans96.9159.3-175.100000113.1Y165 G169 T170Y165-G167 VanDerWaalsContact CE1-CA 3.5Å; G167-G169 VanDerWaalsContact C-N 3.3Å; G167-G169 PolarHBondContact O-N 3.43Å; G167-T170 WeakPolarHBondContact O-CB 3.46Å; G167-T170 PolarHBondContact O-N 2.99Å
168N97.8Very high96.4Very high99 Ų9957.7 Ų57.753%0.52928%0.28SS..THydrogen-bonded Turntrans50.347.6176.2-52.1-47.7000112.8Y165 T170 K214 D215Y165-N168 PolarHBondContact OH-N 2.94Å; N168-T170 PolarHBondContact O-N 3.26Å; N168-T170 VanDerWaalsContact O-N 3.12Å; N168-T170 PolarHBondContact O-OG1 3.39Å; N168-K214 PolarHBondContact OD1-O 2.89Å; N168-D215 WeakPolarHBondContact CA-OD1 3.35Å; N168-D215 VanDerWaalsContact N-CG 3.34Å; N168-D215 PolarHBondContact N-OD2 2.86Å; N168-D215 WeakPolarHBondContact OD1-CA 3.25Å
169G97.9Very high96.2Very high1 Ų160.2 Ų60.21%0.0129%0.293CS..THydrogen-bonded Turntrans73.72.517700000114.2Y165 G167 F171 T185 A186 T217Y165-G169 PolarHBondContact OH-N 3.32Å; G167-G169 VanDerWaalsContact C-N 3.3Å; G167-G169 PolarHBondContact O-N 3.43Å; G169-F171 VanDerWaalsContact O-CD2 3.26Å; G169-F171 WeakPolarHBondContact O-CD2 3.29Å; G169-F171 WeakPolarHBondContact O-CE2 3.3Å; G169-T185 CarbonylContact O-C 3.59Å; G169-T185 WeakPolarHBondContact O-CA 3.44Å; G169-A186 WeakPolarHBondContact CA-O 3.46Å; G169-A186 PolarHBondContact O-N 3.33Å; G169-T217 WeakPolarHBondContact CA-OG1 3.26Å; G169-T217 PolarHBondContact N-OG1 2.97Å
170T98.3Very high96.2Very high33 Ų3363.9 Ų63.920%0.20232%0.317CS..EExtended strand (participates in β ladder)trans-94.8125.6-175.3-57.70000111.1Y165 L166 G167 N168 V184 T185Y165-T170 WeakPolarHBondContact CD2-O 3.47Å; L166-T170 HydrophobicContact CB-CG2 4.37Å; L166-T170 WeakPolarHBondContact CB-O 3.32Å; L166-T170 HydrophobicContact CD1-CG2 4.21Å; L166-T170 PolarHBondContact N-O 3.04Å; G167-T170 WeakPolarHBondContact O-CB 3.46Å; G167-T170 PolarHBondContact O-N 2.99Å; N168-T170 PolarHBondContact O-N 3.26Å; N168-T170 VanDerWaalsContact O-N 3.12Å; N168-T170 PolarHBondContact O-OG1 3.39Å; T170-V184 CarbonylContact C-O 3.51Å; T170-V184 WeakPolarHBondContact CA-O 3.44Å; T170-T185 PolarHBondContact OG1-OG1 2.95Å
171F98.3Very high96.1Very high0 Ų066 Ų660%033%0.331CS..EExtended strand (participates in β ladder)trans-117.1137.4178.3-63.5-97.6000109.9L163 Q164 Y165 G169 I173 H183 V184 V189 L204 L299 L301L163-F171 HydrophobicContact CD1-CD1 4.06Å; L163-F171 HydrophobicContact CD2-CD1 3.87Å; L163-F171 HydrophobicContact CD2-CE1 4.3Å; L163-F171 HydrophobicContact CG-CD1 4.05Å; Q164-F171 CarbonylContact O-C 3.58Å; Q164-F171 WeakPolarHBondContact O-CA 3.45Å; Y165-F171 AromaticContact CD2-CD1 3.74Å; Y165-F171 HydrophobicContact CD2-CD1 3.74Å; Y165-F171 HydrophobicContact CD2-CD2 4.17Å; Y165-F171 AromaticContact CD2-CE1 3.39Å; Y165-F171 HydrophobicContact CD2-CE1 3.39Å; Y165-F171 AromaticContact CD2-CE2 3.83Å; Y165-F171 HydrophobicContact CD2-CE2 3.83Å; Y165-F171 HydrophobicContact CD2-CG 4.12Å; Y165-F171 AromaticContact CD2-CZ 3.42Å; Y165-F171 HydrophobicContact CD2-CZ 3.42Å; Y165-F171 VanDerWaalsContact CD2-CZ 3.42Å; Y165-F171 HydrophobicContact CE2-CD2 4.33Å; Y165-F171 HydrophobicContact CE2-CE1 4.08Å; Y165-F171 AromaticContact CE2-CE2 3.75Å; Y165-F171 HydrophobicContact CE2-CE2 3.75Å; Y165-F171 AromaticContact CE2-CZ 3.61Å; Y165-F171 HydrophobicContact CE2-CZ 3.61Å; Y165-F171 HydrophobicContact CG-CE1 4.19Å; Y165-F171 HydrophobicContact CG-CZ 4.5Å; G169-F171 VanDerWaalsContact O-CD2 3.26Å; G169-F171 WeakPolarHBondContact O-CD2 3.29Å; G169-F171 WeakPolarHBondContact O-CE2 3.3Å; F171-I173 HydrophobicContact CB-CD1 4Å; F171-I173 HydrophobicContact CB-CG1 3.89Å; F171-H183 CarbonylContact O-C 3.56Å; F171-H183 VanDerWaalsContact O-CA 3.28Å; F171-H183 WeakPolarHBondContact O-CA 3.35Å; F171-V184 PolarHBondContact N-O 3.32Å; F171-V184 PolarHBondContact O-N 3.47Å; F171-V189 HydrophobicContact CE2-CG2 3.88Å; F171-V189 HydrophobicContact CZ-CG2 3.83Å; F171-L204 HydrophobicContact CE1-CD1 3.96Å; F171-L204 HydrophobicContact CE1-CD2 4.02Å; F171-L204 HydrophobicContact CZ-CD1 4.17Å; F171-L204 HydrophobicContact CZ-CD2 4.12Å; F171-L299 HydrophobicContact CB-CD2 4.44Å; F171-L299 HydrophobicContact CD1-CD2 4.04Å; F171-L299 HydrophobicContact CD2-CD2 3.53Å; F171-L299 HydrophobicContact CE1-CD2 4.15Å; F171-L299 HydrophobicContact CE2-CD2 3.68Å; F171-L299 HydrophobicContact CG-CD2 3.74Å; F171-L299 HydrophobicContact CZ-CD2 3.98Å; F171-L301 HydrophobicContact CE1-CD1 4.28Å
172S97.7Very high96.1Very high16 Ų1672.6 Ų72.611%0.11235%0.352CS..EExtended strand (participates in β ladder)trans-96.2114.8164.5172.70000108.4L163 Q164 P181L163-S172 CarbonylContact C-O 3.49Å; L163-S172 WeakPolarHBondContact CA-O 3.46Å; Q164-S172 PolarHBondContact N-O 3.05Å; Q164-S172 PolarHBondContact O-N 2.71Å; S172-P181 WeakPolarHBondContact OG-CB 3.43Å
173I97.5Very high96Very high22 Ų2275 Ų7511%0.11337%0.366CS..EExtended strand (participates in β ladder)trans-124.4127.3-173.8-54.9-179.6000110.3R162 L163 F171 K182 V184 L299 F328R162-I173 CarbonylContact O-C 3.55Å; R162-I173 WeakPolarHBondContact O-CA 3.26Å; L163-I173 HydrophobicContact CD1-CD1 4.1Å; L163-I173 HydrophobicContact CD1-CG1 4.19Å; L163-I173 HydrophobicContact CG-CG1 4.2Å; F171-I173 HydrophobicContact CB-CD1 4Å; F171-I173 HydrophobicContact CB-CG1 3.89Å; I173-K182 PolarHBondContact N-O 2.9Å; I173-K182 PolarHBondContact O-N 3.16Å; I173-V184 HydrophobicContact CD1-CB 4.35Å; I173-V184 HydrophobicContact CD1-CG2 4.15Å; I173-L299 HydrophobicContact CD1-CD1 4.25Å; I173-L299 HydrophobicContact CD1-CD2 4.34Å; I173-F328 HydrophobicContact CG2-CD2 3.65Å; I173-F328 HydrophobicContact CG2-CE2 3.98Å
174K96.1Very high95.9Very high74 Ų7476.9 Ų76.932%0.32238%0.378SS..  trans-98.8129.5170.4-59.9-178.6177.7-177.90109.6R162 L176 P181R162-K174 HydrophobicContact CB-CB 4.18Å; R162-K174 WeakPolarHBondContact CB-O 3.38Å; R162-K174 HydrophobicContact CG-CB 4.31Å; R162-K174 PolarHBondContact NH1-O 3.34Å; R162-K174 PolarHBondContact O-N 3.06Å; K174-L176 WeakPolarHBondContact CB-O 3.23Å; K174-P181 HydrophobicContact CG-CB 4.14Å
175K92.4Very high95.9Very high170 Ų17078 Ų7874%0.73939%0.389SS*.SBendtrans-66.2-57.5174.4-178.3179.9-178.5179.80109.7R162 D179R162-K175 PolarHBondContact NH1-O 3.37Å; R162-K175 VanDerWaalsContact NH1-O 3.16Å; K175-D179 WeakPolarHBondContact CB-OD2 3.4Å
176L92.4Very high95.9Very high109 Ų10977.6 Ų77.657%0.57139%0.388SS*.SBendtrans-110.4160.8169.1-54.8175000111.5K174 K178 D179K174-L176 WeakPolarHBondContact CB-O 3.23Å; L176-K178 PolarHBondContact O-N 3.34Å; L176-K178 VanDerWaalsContact O-N 3.11Å; L176-D179 WeakPolarHBondContact CB-OD2 3.36Å; L176-D179 PolarHBondContact N-OD2 2.87Å; L176-D179 WeakPolarHBondContact O-CB 3.39Å; L176-D179 PolarHBondContact O-N 2.92Å
177R89.8Confident95.9Very high167 Ų16780.5 Ų80.563%0.6340%0.397SS*.THydrogen-bonded Turntrans-54.6-34.1-177.1-177.1175.5177.6132.21.3113.8
178K92.7Very high95.9Very high205 Ų20582.8 Ų82.889%0.89140%0.401SS*.THydrogen-bonded Turntrans-93.1-7.6-177.9-64-174.9178.8-178.40113.6L176L176-K178 PolarHBondContact O-N 3.34Å; L176-K178 VanDerWaalsContact O-N 3.11Å
179D93.1Very high96Very high53 Ų5378.1 Ų78.128%0.28338%0.376SS..SBendtrans-73.2151.4-178-66.7-6.8000110.9K175 L176K175-D179 WeakPolarHBondContact CB-OD2 3.4Å; L176-D179 WeakPolarHBondContact CB-OD2 3.36Å; L176-D179 PolarHBondContact N-OD2 2.87Å; L176-D179 WeakPolarHBondContact O-CB 3.39Å; L176-D179 PolarHBondContact O-N 2.92Å
180P95.4Very high96Very high104 Ų10478 Ų7868%0.67538%0.376SS*.PPolyproline II helixtrans-61.3144.216727.5-34.1000110.2
181P95.6Very high96.1Very high62 Ų6276.5 Ų76.540%0.40337%0.366SS..PPolyproline II helixtrans-67.1143.8176.128.2-32.9000111.1S172 K174S172-P181 WeakPolarHBondContact OG-CB 3.43Å; K174-P181 HydrophobicContact CG-CB 4.14Å
182K95.8Very high96.1Very high163 Ų16376.5 Ų76.571%0.70937%0.366SS*.EExtended strand (participates in β ladder)trans-106.7139165.7-67.4-171177.2-1720109.4I173I173-K182 PolarHBondContact N-O 2.9Å; I173-K182 PolarHBondContact O-N 3.16Å
183H96.3Very high96.1Very high127 Ų12775.8 Ų75.859%0.58836%0.361SS*.EExtended strand (participates in β ladder)trans-86128.5173-71.9-110.6000109.3L166 F171L166-H183 WeakPolarHBondContact CD1-CE1 3.36Å; F171-H183 CarbonylContact O-C 3.56Å; F171-H183 VanDerWaalsContact O-CA 3.28Å; F171-H183 WeakPolarHBondContact O-CA 3.35Å
184V95.4Very high96.1Very high39 Ų3974.9 Ų74.924%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-122.2124.1175.1-179.50000107.2T170 F171 I173 L299T170-V184 CarbonylContact C-O 3.51Å; T170-V184 WeakPolarHBondContact CA-O 3.44Å; F171-V184 PolarHBondContact N-O 3.32Å; F171-V184 PolarHBondContact O-N 3.47Å; I173-V184 HydrophobicContact CD1-CB 4.35Å; I173-V184 HydrophobicContact CD1-CG2 4.15Å; V184-L299 HydrophobicContact CG1-CD1 4.49Å
185T97.4Very high96Very high88 Ų8872.4 Ų72.454%0.5435%0.353SS..EExtended strand (participates in β ladder)trans-104.7125174.5-59.10000108.8G169 T170G169-T185 CarbonylContact O-C 3.59Å; G169-T185 WeakPolarHBondContact O-CA 3.44Å; T170-T185 PolarHBondContact OG1-OG1 2.95Å
186A97.9Very high96.1Very high3 Ų366.8 Ų66.83%0.02533%0.333CS..  trans-126.3133.3178.800000109.4G169 V189 D297 L299G169-A186 WeakPolarHBondContact CA-O 3.46Å; G169-A186 PolarHBondContact O-N 3.33Å; A186-V189 HydrophobicContact CB-CG2 4.36Å; A186-D297 CarbonylContact C-O 3.5Å; A186-D297 VanDerWaalsContact CA-O 3.23Å; A186-D297 WeakPolarHBondContact CA-O 3.32Å; A186-D297 WeakPolarHBondContact CB-O 3.17Å; A186-L299 HydrophobicContact CB-CB 3.66Å
187K98.4Very high96.3Very high141 Ų14161.8 Ų61.861%0.61331%0.307SS*.SBendtrans-80.7-28.2168.8-64-171.4-163.1159.60111.2E218 D297K187-E218 PolarHBondContact O-N 2.64Å; K187-D297 HydrophobicContact CB-CB 4.15Å; K187-D297 VanDerWaalsContact CD-OD2 3.25Å; K187-D297 WeakPolarHBondContact CD-OD2 3.24Å; K187-D297 HydrophobicContact CG-CB 4.04Å; K187-D297 PolarHBondContact N-O 2.87Å; K187-D297 IonicContact NZ-OD2 3.71Å
188R98.7Very high96.6Very high63 Ų6353.8 Ų53.824%0.23828%0.277CS..EExtended strand (participates in β ladder)trans-126.8133.9-176.2-69.3172.3-65.1-169.1-1.3110.1E218 Y292 D297 T298 L299R188-E218 CarbonylContact C-O 3.52Å; R188-E218 WeakPolarHBondContact CA-O 3.27Å; R188-E218 HydrophobicContact CG-CB 4.12Å; R188-Y292 HydrophobicContact CB-CD2 3.72Å; R188-Y292 HydrophobicContact CB-CE2 4.24Å; R188-Y292 HydrophobicContact CB-CG 3.88Å; R188-Y292 HydrophobicContact CG-CD1 4.1Å; R188-Y292 HydrophobicContact CG-CD2 4.08Å; R188-Y292 HydrophobicContact CG-CE1 4.3Å; R188-Y292 HydrophobicContact CG-CE2 4.3Å; R188-Y292 HydrophobicContact CG-CG 3.98Å; R188-D297 IonicContact CZ-OD1 3.67Å; R188-D297 PolarHBondContact N-O 2.88Å; R188-D297 VanDerWaalsContact N-O 3.09Å; R188-D297 IonicContact NE-OD1 3.69Å; R188-D297 IonicContact NH2-OD1 2.81Å; R188-D297 PolarHBondContact NH2-OD1 3.24Å; R188-T298 HydrophobicContact CB-CG2 4.45Å; R188-T298 CarbonylContact O-C 3.42Å; R188-T298 WeakPolarHBondContact O-CA 3.39Å; R188-L299 PolarHBondContact O-N 3.46Å
189V98.9Very high96.8Very high0 Ų044.9 Ų44.90%024%0.24CC..EExtended strand (participates in β ladder)trans-124.4113.2178-173.70000109.4F171 A186 M191 L204 T217 E218 L219 A220 L299 L301F171-V189 HydrophobicContact CE2-CG2 3.88Å; F171-V189 HydrophobicContact CZ-CG2 3.83Å; A186-V189 HydrophobicContact CB-CG2 4.36Å; V189-M191 HydrophobicContact CG1-CG 4.08Å; V189-L204 HydrophobicContact CG1-CD2 4.21Å; V189-T217 HydrophobicContact CG2-CG2 3.63Å; V189-E218 PolarHBondContact N-O 3.24Å; V189-L219 HydrophobicContact CB-CD2 3.71Å; V189-L219 HydrophobicContact CG1-CD2 4.48Å; V189-L219 HydrophobicContact CG2-CD2 4.14Å; V189-L219 WeakPolarHBondContact O-CA 3.44Å; V189-A220 PolarHBondContact O-N 3.03Å; V189-L299 CarbonylContact C-O 3.56Å; V189-L299 VanDerWaalsContact CA-O 3.3Å; V189-L299 WeakPolarHBondContact CA-O 3.44Å; V189-L301 HydrophobicContact CG1-CD1 3.64Å; V189-L301 HydrophobicContact CG1-CG 3.8Å
190N98.9Very high97.1Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-82.1132.5167.8-68.2-24.3000109.1A220 L291 Y292 L299 C300 L301 H322N190-A220 CarbonylContact C-O 3.55Å; N190-L291 HydrophobicContact CB-CB 4.32Å; N190-L291 HydrophobicContact CB-CD1 4.32Å; N190-L291 HydrophobicContact CB-CD2 4.15Å; N190-Y292 PolarHBondContact ND2-O 2.94Å; N190-Y292 WeakPolarHBondContact OD1-CB 3.49Å; N190-Y292 VanDerWaalsContact OD1-CD2 3.29Å; N190-Y292 WeakPolarHBondContact OD1-CD2 3.35Å; N190-Y292 PolarHBondContact OD1-N 3.14Å; N190-L299 PolarHBondContact N-O 3.43Å; N190-C300 HydrophobicContact CB-CB 4.35Å; N190-C300 CarbonylContact O-C 3.54Å; N190-C300 WeakPolarHBondContact O-CA 3.47Å; N190-L301 PolarHBondContact O-N 3.5Å; N190-H322 PolarHBondContact ND2-CE1 2.95Å
191M98.9Very high97.2Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-124.2125.5177.7-63.3-176.6-66.600107.9V189 M201 L204 L219 A220 L221 L222 F248 L301V189-M191 HydrophobicContact CG1-CG 4.08Å; M191-M201 HydrophobicContact CB-CB 4.4Å; M191-M201 HydrophobicContact CB-CG 4.12Å; M191-M201 HydrophobicContact CB-SD 3.77Å; M191-M201 HydrophobicContact CG-SD 3.78Å; M191-M201 HydrophobicContact SD-CB 3.81Å; M191-M201 HydrophobicContact SD-CG 4.31Å; M191-M201 HydrophobicContact SD-SD 3.9Å; M191-L204 HydrophobicContact SD-CD2 3.99Å; M191-L219 HydrophobicContact CE-CB 4.02Å; M191-L219 HydrophobicContact CE-CD1 4.34Å; M191-L219 HydrophobicContact CE-CD2 4.5Å; M191-A220 PolarHBondContact N-O 2.7Å; M191-L221 HydrophobicContact CB-CB 4.48Å; M191-L221 HydrophobicContact CB-CD1 3.78Å; M191-L221 HydrophobicContact CE-CB 4.16Å; M191-L221 CarbonylContact O-C 3.56Å; M191-L221 WeakPolarHBondContact O-CA 3.44Å; M191-L222 PolarHBondContact O-N 3.37Å; M191-F248 HydrophobicContact CE-CE2 4.01Å; M191-L301 CarbonylContact C-O 3.59Å; M191-L301 WeakPolarHBondContact CA-O 3.5Å; M191-L301 HydrophobicContact CG-CB 4.34Å
192I98.9Very high97.3Very high1 Ų134.6 Ų34.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-118.7116.1172-45.8-179.8000108.2L222 V282 M287 L291 L301 L302 C303 C313 L317I192-L222 WeakPolarHBondContact CA-O 3.33Å; I192-L222 HydrophobicContact CG2-CB 4.47Å; I192-V282 HydrophobicContact CG2-CG1 4.44Å; I192-V282 HydrophobicContact CG2-CG2 4.27Å; I192-M287 HydrophobicContact CD1-CG 4.04Å; I192-M287 HydrophobicContact CD1-SD 3.63Å; I192-L291 HydrophobicContact CD1-CD1 3.68Å; I192-L291 HydrophobicContact CG1-CD1 3.86Å; I192-L301 PolarHBondContact N-O 2.86Å; I192-L302 HydrophobicContact CB-CD2 3.65Å; I192-L302 HydrophobicContact CD1-CD2 3.71Å; I192-L302 HydrophobicContact CG1-CD2 3.75Å; I192-L302 WeakPolarHBondContact O-CA 3.36Å; I192-C303 PolarHBondContact O-N 3.46Å; I192-C313 HydrophobicContact CD1-CB 4.28Å; I192-L317 HydrophobicContact CD1-CD1 4.16Å; I192-L317 HydrophobicContact CD1-CD2 4.42Å; I192-L317 HydrophobicContact CD1-CG 4.37Å
193A98.6Very high97.4Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-114.2144.4-177.500000111.3I198 M201 L221 L222 F223 A224 C303A193-I198 HydrophobicContact CB-CB 4.46Å; A193-I198 HydrophobicContact CB-CD1 4.17Å; A193-M201 HydrophobicContact CB-CG 4.13Å; A193-L221 HydrophobicContact CB-CD1 4.01Å; A193-L222 PolarHBondContact N-O 3.26Å; A193-F223 HydrophobicContact CB-CD2 3.58Å; A193-F223 HydrophobicContact CB-CE2 4.05Å; A193-F223 HydrophobicContact CB-CG 4.35Å; A193-F223 WeakPolarHBondContact O-CD2 3.48Å; A193-A224 PolarHBondContact O-N 2.83Å; A193-C303 CarbonylContact C-O 3.58Å; A193-C303 VanDerWaalsContact CA-O 3.26Å; A193-C303 WeakPolarHBondContact CA-O 3.32Å
194G97.6Very high97.5Very high4 Ų421.6 Ų21.64%0.04112%0.118CC..EExtended strand (participates in β ladder)trans-127.1118.6172.500000111.2T196 G197 A224 C303G194-T196 PolarHBondContact O-N 2.84Å; G194-G197 PolarHBondContact O-N 2.85Å; G194-A224 WeakPolarHBondContact CA-O 3.4Å; G194-C303 PolarHBondContact N-O 2.87Å
195G93.9Very high97.6Very high22 Ų2219.8 Ų19.823%0.22711%0.107CC..G310 helixtrans53.9-118.7179.300000113.2G197 F223 A224G195-G197 PolarHBondContact O-N 2.8Å; G195-F223 VanDerWaalsContact O-CE2 3.23Å; G195-F223 WeakPolarHBondContact O-CE2 3.36Å; G195-F223 WeakPolarHBondContact O-CZ 3.49Å; G195-A224 PolarHBondContact N-O 3.01Å
196T93.8Very high97.6Very high52 Ų5219.1 Ų19.132%0.31910%0.095SC..G310 helixtrans-69.6-8.8179.855.80000114.2K125 Y127 G194 I198 T199 L232K125-T196 HydrophobicContact CB-CG2 3.66Å; K125-T196 HydrophobicContact CD-CG2 4.34Å; Y127-T196 HydrophobicContact CE2-CG2 4.49Å; Y127-T196 WeakPolarHBondContact OH-CG2 3.25Å; G194-T196 PolarHBondContact O-N 2.84Å; T196-I198 PolarHBondContact O-N 2.63Å; T196-I198 VanDerWaalsContact O-N 3.08Å; T196-T199 PolarHBondContact O-OG1 3.2Å; T196-L232 HydrophobicContact CG2-CD2 4.15Å
197G96Very high97.6Very high3 Ų320.3 Ų20.33%0.03110%0.1CC..G310 helixtrans-65.6-2.7174.700000114.8G194 G195 T199 P200 C303G194-G197 PolarHBondContact O-N 2.85Å; G195-G197 PolarHBondContact O-N 2.8Å; G197-T199 VanDerWaalsContact C-N 3.34Å; G197-P200 WeakPolarHBondContact O-CD 3.29Å; G197-P200 WeakPolarHBondContact O-CG 3.33Å; G197-C303 VanDerWaalsContact CA-SG 3.57Å; G197-C303 WeakPolarHBondContact O-CB 3.36Å
198I97.4Very high97.6Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-68.2-29176.4-170.357.6000114.1A193 T196 M201 L202 L221 F223 L232 L233 L237A193-I198 HydrophobicContact CB-CB 4.46Å; A193-I198 HydrophobicContact CB-CD1 4.17Å; T196-I198 PolarHBondContact O-N 2.63Å; T196-I198 VanDerWaalsContact O-N 3.08Å; I198-M201 HydrophobicContact CD1-CB 4.33Å; I198-M201 WeakPolarHBondContact O-CA 3.49Å; I198-M201 WeakPolarHBondContact O-CB 3.37Å; I198-M201 PolarHBondContact O-N 3.14Å; I198-L202 PolarHBondContact O-N 3.02Å; I198-L221 HydrophobicContact CD1-CD1 4.36Å; I198-L221 HydrophobicContact CD1-CD2 3.58Å; I198-F223 HydrophobicContact CB-CD2 4.48Å; I198-F223 HydrophobicContact CB-CE1 3.98Å; I198-F223 HydrophobicContact CB-CE2 3.75Å; I198-F223 HydrophobicContact CB-CZ 3.47Å; I198-F223 VanDerWaalsContact CB-CZ 3.47Å; I198-F223 HydrophobicContact CD1-CD1 3.88Å; I198-F223 HydrophobicContact CD1-CD2 4.3Å; I198-F223 HydrophobicContact CD1-CE1 3.93Å; I198-F223 HydrophobicContact CD1-CE2 4.35Å; I198-F223 HydrophobicContact CD1-CG 4.1Å; I198-F223 HydrophobicContact CD1-CZ 4.18Å; I198-F223 HydrophobicContact CG1-CD1 4.23Å; I198-F223 HydrophobicContact CG1-CE1 3.74Å; I198-F223 HydrophobicContact CG1-CE2 4.3Å; I198-F223 HydrophobicContact CG1-CZ 3.8Å; I198-F223 HydrophobicContact CG2-CE1 4.45Å; I198-F223 HydrophobicContact CG2-CE2 4.45Å; I198-F223 HydrophobicContact CG2-CZ 3.84Å; I198-L232 HydrophobicContact CG2-CB 4.04Å; I198-L233 HydrophobicContact CG2-CD1 4.32Å; I198-L237 HydrophobicContact CD1-CD1 3.74Å; I198-L237 HydrophobicContact CD1-CD2 4.03Å; I198-L237 HydrophobicContact CG1-CD1 3.85Å; I198-L237 HydrophobicContact CG1-CD2 4.5Å
199T97Very high97.6Very high17 Ų1710.7 Ų10.710%0.1046%0.06CC..Hα-helixtrans-58.5-46.1-172.1510000114.8I111 T196 G197 M201 Q203 L233I111-T199 HydrophobicContact CG2-CG2 4.32Å; T196-T199 PolarHBondContact O-OG1 3.2Å; G197-T199 VanDerWaalsContact C-N 3.34Å; T199-M201 VanDerWaalsContact C-N 3.3Å; T199-M201 PolarHBondContact O-N 2.74Å; T199-Q203 WeakPolarHBondContact O-CB 3.22Å; T199-Q203 PolarHBondContact O-N 3.43Å; T199-L233 HydrophobicContact CG2-CD1 4.46Å
200P97.6Very high97.4Very high2 Ų214.2 Ų14.21%0.0138%0.075CC..Hα-helixtrans-65.2-30.9172.326-35.7000113.7T109 G197 L204 C303 Y330T109-P200 HydrophobicContact CG2-CB 4.42Å; G197-P200 WeakPolarHBondContact O-CD 3.29Å; G197-P200 WeakPolarHBondContact O-CG 3.33Å; P200-L204 PolarHBondContact O-N 2.81Å; P200-L204 VanDerWaalsContact O-N 3.07Å; P200-C303 HydrophobicContact CG-CB 3.92Å; P200-Y330 HydrophobicContact CB-CD1 3.89Å; P200-Y330 HydrophobicContact CB-CD2 4.22Å; P200-Y330 HydrophobicContact CB-CE1 3.64Å; P200-Y330 HydrophobicContact CB-CE2 3.98Å; P200-Y330 HydrophobicContact CB-CG 4.17Å; P200-Y330 HydrophobicContact CG-CD1 4.39Å; P200-Y330 HydrophobicContact CG-CD2 4.19Å; P200-Y330 HydrophobicContact CG-CE2 4.33Å; P200-Y330 HydrophobicContact CG-CG 4.22Å
201M98.4Very high97.3Very high1 Ų120.1 Ų20.11%0.00510%0.097CC..Hα-helixtrans-72.1-42.6179.6-52.6-50.2170.500111M191 A193 I198 T199 L204 A205 L221 L301 C303 Y330M191-M201 HydrophobicContact CB-CB 4.4Å; M191-M201 HydrophobicContact CB-CG 4.12Å; M191-M201 HydrophobicContact CB-SD 3.77Å; M191-M201 HydrophobicContact CG-SD 3.78Å; M191-M201 HydrophobicContact SD-CB 3.81Å; M191-M201 HydrophobicContact SD-CG 4.31Å; M191-M201 HydrophobicContact SD-SD 3.9Å; A193-M201 HydrophobicContact CB-CG 4.13Å; I198-M201 HydrophobicContact CD1-CB 4.33Å; I198-M201 WeakPolarHBondContact O-CA 3.49Å; I198-M201 WeakPolarHBondContact O-CB 3.37Å; I198-M201 PolarHBondContact O-N 3.14Å; T199-M201 VanDerWaalsContact C-N 3.3Å; T199-M201 PolarHBondContact O-N 2.74Å; M201-L204 PolarHBondContact O-N 3.49Å; M201-A205 WeakPolarHBondContact O-CB 3.41Å; M201-A205 PolarHBondContact O-N 2.92Å; M201-L221 HydrophobicContact CB-CD1 4.35Å; M201-L221 HydrophobicContact CG-CD1 4.43Å; M201-L301 HydrophobicContact CE-CB 4.06Å; M201-L301 HydrophobicContact SD-CB 4.06Å; M201-C303 HydrophobicContact CE-CB 3.57Å; M201-Y330 HydrophobicContact CE-CD2 3.8Å; M201-Y330 HydrophobicContact CE-CE2 3.65Å; M201-Y330 HydrophobicContact SD-CE2 4.02Å
202L97.7Very high97.1Very high0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-63.8-41.1173.7-178.964.8000111.6I111 I198 L204 A205 R206 L233 L237 L240I111-L202 HydrophobicContact CG2-CD2 4.38Å; I198-L202 PolarHBondContact O-N 3.02Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.05Å; L202-A205 PolarHBondContact O-N 3.34Å; L202-R206 HydrophobicContact CD1-CG 4.08Å; L202-R206 HydrophobicContact CG-CG 4.39Å; L202-R206 WeakPolarHBondContact O-CB 3.4Å; L202-R206 WeakPolarHBondContact O-CG 3.45Å; L202-R206 PolarHBondContact O-N 2.87Å; L202-L233 HydrophobicContact CD2-CB 4.19Å; L202-L233 HydrophobicContact CD2-CD1 3.57Å; L202-L233 HydrophobicContact CD2-CG 4.29Å; L202-L237 HydrophobicContact CD1-CD2 3.91Å; L202-L240 HydrophobicContact CD1-CD1 3.58Å
203Q97.7Very high97Very high17 Ų1726.6 Ų26.68%0.07914%0.135CC..Hα-helixtrans-58.1-45.7176.4-171.8-168.465.700111.1V89 T109 T199 E207V89-Q203 HydrophobicContact CG1-CG 4.32Å; T109-Q203 HydrophobicContact CG2-CB 4.22Å; T109-Q203 HydrophobicContact CG2-CG 4.49Å; T199-Q203 WeakPolarHBondContact O-CB 3.22Å; T199-Q203 PolarHBondContact O-N 3.43Å; Q203-E207 PolarHBondContact O-N 3.09Å
204L98.4Very high96.9Very high0 Ų033.8 Ų33.80%017%0.166CC..Hα-helixtrans-64.7-50.5175.6178.462000111.6V89 Y165 F171 V189 M191 P200 M201 L202 R206 E207 V208 L301V89-L204 HydrophobicContact CG1-CD1 4.31Å; Y165-L204 HydrophobicContact CD1-CD1 3.85Å; Y165-L204 HydrophobicContact CD2-CD1 3.86Å; Y165-L204 HydrophobicContact CE1-CD1 4.34Å; Y165-L204 HydrophobicContact CE2-CD1 4.34Å; Y165-L204 HydrophobicContact CG-CD1 3.57Å; F171-L204 HydrophobicContact CE1-CD1 3.96Å; F171-L204 HydrophobicContact CE1-CD2 4.02Å; F171-L204 HydrophobicContact CZ-CD1 4.17Å; F171-L204 HydrophobicContact CZ-CD2 4.12Å; V189-L204 HydrophobicContact CG1-CD2 4.21Å; M191-L204 HydrophobicContact SD-CD2 3.99Å; P200-L204 PolarHBondContact O-N 2.81Å; P200-L204 VanDerWaalsContact O-N 3.07Å; M201-L204 PolarHBondContact O-N 3.49Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.05Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.01Å; L204-E207 PolarHBondContact O-N 2.79Å; L204-E207 VanDerWaalsContact O-N 3.1Å; L204-V208 HydrophobicContact CD1-CG2 4.02Å; L204-V208 HydrophobicContact CG-CG2 4.38Å; L204-V208 WeakPolarHBondContact O-CG2 3.22Å; L204-V208 PolarHBondContact O-N 3.35Å; L204-L301 HydrophobicContact CD2-CD1 3.35Å
205A98.4Very high97Very high1 Ų133.7 Ų33.71%0.00817%0.165CC..Hα-helixtrans-57.4-45-177.500000111.8M201 L202 E207 V208 L209 L219 L240M201-A205 WeakPolarHBondContact O-CB 3.41Å; M201-A205 PolarHBondContact O-N 2.92Å; L202-A205 PolarHBondContact O-N 3.34Å; A205-E207 PolarHBondContact O-N 3.1Å; A205-V208 PolarHBondContact O-N 3.36Å; A205-L209 HydrophobicContact CB-CD1 4.46Å; A205-L209 VanDerWaalsContact O-CB 3.25Å; A205-L209 WeakPolarHBondContact O-CB 3.4Å; A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.28Å; A205-L219 HydrophobicContact CB-CD1 3.92Å; A205-L240 HydrophobicContact CB-CD1 4.47Å
206R97.5Very high97.2Very high75 Ų7539.2 Ų39.228%0.28318%0.183SC..Hα-helixtrans-60.7-42.9175.8-75.1179.8170.7167.2-1.8112.5I111 L202 L204 K210 L240I111-R206 PolarHBondContact O-NH1 2.95Å; L202-R206 HydrophobicContact CD1-CG 4.08Å; L202-R206 HydrophobicContact CG-CG 4.39Å; L202-R206 WeakPolarHBondContact O-CB 3.4Å; L202-R206 WeakPolarHBondContact O-CG 3.45Å; L202-R206 PolarHBondContact O-N 2.87Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.01Å; R206-K210 VanDerWaalsContact O-CB 3.29Å; R206-K210 WeakPolarHBondContact O-CB 3.43Å; R206-K210 WeakPolarHBondContact O-CD 3.28Å; R206-K210 VanDerWaalsContact O-CG 3.23Å; R206-K210 WeakPolarHBondContact O-CG 3.47Å; R206-K210 PolarHBondContact O-N 3.23Å; R206-K210 VanDerWaalsContact O-N 3.07Å; R206-L240 HydrophobicContact CG-CD1 3.94Å
207E97.5Very high97.4Very high28 Ų2837 Ų3713%0.13117%0.169CC..Hα-helixtrans-66.6-40.3-179.7-175.365.3-148.400112.6V89 Y165 Q203 L204 A205 K210 R211V89-E207 HydrophobicContact CB-CG 4.43Å; V89-E207 HydrophobicContact CG1-CB 4Å; V89-E207 HydrophobicContact CG1-CG 4.35Å; V89-E207 HydrophobicContact CG2-CB 3.95Å; V89-E207 HydrophobicContact CG2-CG 3.83Å; Y165-E207 HydrophobicContact CD1-CG 4.03Å; Y165-E207 HydrophobicContact CE1-CG 4.4Å; Q203-E207 PolarHBondContact O-N 3.09Å; L204-E207 PolarHBondContact O-N 2.79Å; L204-E207 VanDerWaalsContact O-N 3.1Å; A205-E207 PolarHBondContact O-N 3.1Å; E207-K210 WeakPolarHBondContact O-CG 3.49Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 3.32Å; E207-K210 IonicContact OE1-NZ 2.61Å; E207-K210 WeakPolarHBondContact OE2-CE 3.37Å; E207-K210 IonicContact OE2-NZ 2.8Å; E207-K210 PolarHBondContact OE2-NZ 3.45Å; E207-R211 IonicContact OE1-CZ 3.82Å; E207-R211 VanDerWaalsContact OE1-CZ 3.29Å; E207-R211 IonicContact OE1-NE 3.44Å; E207-R211 PolarHBondContact OE1-NE 3.45Å; E207-R211 IonicContact OE1-NH2 3.28Å; E207-R211 PolarHBondContact OE1-NH2 2.86Å
208V98.2Very high97.5Very high0 Ų040.3 Ų40.30%018%0.184CC..Hα-helixtrans-66.7-54.6176.4175.50000110.1Y165 L204 A205 K210 R211 S212 T217 L219Y165-V208 HydrophobicContact CD1-CG2 4.41Å; Y165-V208 HydrophobicContact CE1-CG2 3.61Å; L204-V208 HydrophobicContact CD1-CG2 4.02Å; L204-V208 HydrophobicContact CG-CG2 4.38Å; L204-V208 WeakPolarHBondContact O-CG2 3.22Å; L204-V208 PolarHBondContact O-N 3.35Å; A205-V208 PolarHBondContact O-N 3.36Å; V208-K210 PolarHBondContact O-N 3.37Å; V208-R211 CarbonylContact O-C 3.43Å; V208-R211 PolarHBondContact O-N 2.79Å; V208-R211 VanDerWaalsContact O-N 3.08Å; V208-S212 PolarHBondContact O-N 2.87Å; V208-T217 WeakPolarHBondContact CG1-O 3.22Å; V208-L219 HydrophobicContact CB-CD1 4.03Å; V208-L219 HydrophobicContact CG1-CD1 4.17Å; V208-L219 HydrophobicContact CG1-CG 4.42Å; V208-L219 HydrophobicContact CG2-CD1 4.3Å; V208-L219 HydrophobicContact CG2-CD2 4.46Å
209L98.1Very high97.6Very high1 Ų140.3 Ų40.31%0.00518%0.184CC..Hα-helixtrans-72.4-30.3-167.7-63.7176.4000113.3A205 R211 S212 L219 L240 H244 Q247 F248A205-L209 HydrophobicContact CB-CD1 4.46Å; A205-L209 VanDerWaalsContact O-CB 3.25Å; A205-L209 WeakPolarHBondContact O-CB 3.4Å; A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.28Å; L209-R211 PolarHBondContact O-N 2.85Å; L209-S212 VanDerWaalsContact O-CB 3.24Å; L209-S212 WeakPolarHBondContact O-CB 3.37Å; L209-S212 PolarHBondContact O-N 2.79Å; L209-S212 VanDerWaalsContact O-N 3.12Å; L209-S212 PolarHBondContact O-OG 3.35Å; L209-L219 HydrophobicContact CG-CD1 4.38Å; L209-L240 HydrophobicContact CD1-CB 4.05Å; L209-L240 HydrophobicContact CD1-CD2 4.12Å; L209-L240 HydrophobicContact CD1-CG 4.47Å; L209-H244 HydrophobicContact CD1-CB 4.32Å; L209-H244 HydrophobicContact CD2-CB 3.76Å; L209-H244 PolarHBondContact O-CE1 2.86Å; L209-Q247 HydrophobicContact CD2-CB 4.04Å; L209-Q247 HydrophobicContact CD2-CG 3.75Å; L209-F248 HydrophobicContact CD1-CB 3.72Å; L209-F248 HydrophobicContact CD1-CD1 3.82Å; L209-F248 HydrophobicContact CD1-CG 3.9Å; L209-F248 HydrophobicContact CD2-CB 4.04Å; L209-F248 HydrophobicContact CG-CB 4.47Å
210K95.7Very high97.7Very high75 Ų7539.5 Ų39.533%0.32618%0.179SC..THydrogen-bonded Turntrans-66-18.4173.378.2-173.5-173.51750113.2E115 R206 E207 V208E115-K210 WeakPolarHBondContact OE1-CD 3.3Å; E115-K210 VanDerWaalsContact OE1-CE 3.27Å; E115-K210 WeakPolarHBondContact OE1-CE 3.34Å; E115-K210 IonicContact OE1-NZ 2.86Å; E115-K210 PolarHBondContact OE1-NZ 3.29Å; R206-K210 VanDerWaalsContact O-CB 3.29Å; R206-K210 WeakPolarHBondContact O-CB 3.43Å; R206-K210 WeakPolarHBondContact O-CD 3.28Å; R206-K210 VanDerWaalsContact O-CG 3.23Å; R206-K210 WeakPolarHBondContact O-CG 3.47Å; R206-K210 PolarHBondContact O-N 3.23Å; R206-K210 VanDerWaalsContact O-N 3.07Å; E207-K210 WeakPolarHBondContact O-CG 3.49Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 3.32Å; E207-K210 IonicContact OE1-NZ 2.61Å; E207-K210 WeakPolarHBondContact OE2-CE 3.37Å; E207-K210 IonicContact OE2-NZ 2.8Å; E207-K210 PolarHBondContact OE2-NZ 3.45Å; V208-K210 PolarHBondContact O-N 3.37Å
211R95.5Very high97.8Very high123 Ų12339.6 Ų39.646%0.46418%0.179SC..THydrogen-bonded Turntrans-110.225.2176.1-58.2179.1-172.9-110.52.4111.2E207 V208 L209 D213 K214 D215E207-R211 IonicContact OE1-CZ 3.82Å; E207-R211 VanDerWaalsContact OE1-CZ 3.29Å; E207-R211 IonicContact OE1-NE 3.44Å; E207-R211 PolarHBondContact OE1-NE 3.45Å; E207-R211 IonicContact OE1-NH2 3.28Å; E207-R211 PolarHBondContact OE1-NH2 2.86Å; V208-R211 CarbonylContact O-C 3.43Å; V208-R211 PolarHBondContact O-N 2.79Å; V208-R211 VanDerWaalsContact O-N 3.08Å; L209-R211 PolarHBondContact O-N 2.85Å; R211-D213 VanDerWaalsContact C-OD1 3.29Å; R211-D213 PolarHBondContact O-N 2.73Å; R211-K214 PolarHBondContact O-N 2.99Å; R211-D215 HydrophobicContact CB-CB 4.04Å; R211-D215 WeakPolarHBondContact O-CB 3.19Å; R211-D215 PolarHBondContact O-N 3.28Å
212S96Very high97.8Very high37 Ų3739.5 Ų39.526%0.25918%0.178SC..THydrogen-bonded Turntrans-56.4-19.8-174.3600000114.3V208 L209 K214 K216V208-S212 PolarHBondContact O-N 2.87Å; L209-S212 VanDerWaalsContact O-CB 3.24Å; L209-S212 WeakPolarHBondContact O-CB 3.37Å; L209-S212 PolarHBondContact O-N 2.79Å; L209-S212 VanDerWaalsContact O-N 3.12Å; L209-S212 PolarHBondContact O-OG 3.35Å; S212-K214 VanDerWaalsContact C-N 3.35Å; S212-K216 WeakPolarHBondContact O-CE 3.47Å; S212-K216 PolarHBondContact O-NZ 3.11Å
213D96.3Very high97.8Very high101 Ų10139.5 Ų39.554%0.5418%0.178SC..THydrogen-bonded Turntrans-65.4-36.217265-43.2000112.5R211 K216R211-D213 VanDerWaalsContact C-OD1 3.29Å; R211-D213 PolarHBondContact O-N 2.73Å; D213-K216 WeakPolarHBondContact O-CE 3.36Å; D213-K216 PolarHBondContact O-NZ 3.35Å
214K97.2Very high97.8Very high151 Ų15139.4 Ų39.466%0.65718%0.18SC*.THydrogen-bonded Turntrans-110.5-40.4-174.5-69.3164.4-171.2168.90113.3N168 R211 S212N168-K214 PolarHBondContact OD1-O 2.89Å; R211-K214 PolarHBondContact O-N 2.99Å; S212-K214 VanDerWaalsContact C-N 3.35Å
215D98.1Very high97.6Very high1 Ų140 Ų401%0.00518%0.184CC..  trans-95.4107.4-178.2-164-26.3000109.4Y165 N168 R211 T217 Q247Y165-D215 WeakPolarHBondContact CE1-OD2 3.5Å; Y165-D215 PolarHBondContact OH-OD1 3.35Å; Y165-D215 VanDerWaalsContact OH-OD1 3.05Å; Y165-D215 PolarHBondContact OH-OD2 3.33Å; N168-D215 WeakPolarHBondContact CA-OD1 3.35Å; N168-D215 VanDerWaalsContact N-CG 3.34Å; N168-D215 PolarHBondContact N-OD2 2.86Å; N168-D215 WeakPolarHBondContact OD1-CA 3.25Å; R211-D215 HydrophobicContact CB-CB 4.04Å; R211-D215 WeakPolarHBondContact O-CB 3.19Å; R211-D215 PolarHBondContact O-N 3.28Å; D215-T217 WeakPolarHBondContact OD1-CB 3.44Å; D215-T217 PolarHBondContact OD1-N 2.94Å; D215-T217 PolarHBondContact OD1-OG1 2.83Å; D215-Q247 PolarHBondContact O-NE2 2.83Å
216K98.1Very high97.3Very high139 Ų13943.5 Ų43.560%0.60420%0.2SC*.  trans-97.516.1-177.2-56.4-57.7-178.9-175.90113.3S212 D213 E218S212-K216 WeakPolarHBondContact O-CE 3.47Å; S212-K216 PolarHBondContact O-NZ 3.11Å; D213-K216 WeakPolarHBondContact O-CE 3.36Å; D213-K216 PolarHBondContact O-NZ 3.35Å; K216-E218 PolarHBondContact O-N 3.19Å
217T98.7Very high96.9Very high4 Ų440.2 Ų40.23%0.02519%0.188CC..  trans-61.8124.1178.3-50.70000109.8Y165 G169 V189 V208 D215 L219 Q247Y165-T217 PolarHBondContact OH-OG1 3.19Å; Y165-T217 VanDerWaalsContact OH-OG1 3.12Å; G169-T217 WeakPolarHBondContact CA-OG1 3.26Å; G169-T217 PolarHBondContact N-OG1 2.97Å; V189-T217 HydrophobicContact CG2-CG2 3.63Å; V208-T217 WeakPolarHBondContact CG1-O 3.22Å; D215-T217 WeakPolarHBondContact OD1-CB 3.44Å; D215-T217 PolarHBondContact OD1-N 2.94Å; D215-T217 PolarHBondContact OD1-OG1 2.83Å; T217-L219 HydrophobicContact CG2-CD2 4.12Å; T217-Q247 WeakPolarHBondContact O-CG 3.29Å; T217-Q247 PolarHBondContact O-NE2 3.07Å
218E98.8Very high96.4Very high74 Ų7442.2 Ų42.235%0.34620%0.197SC..EExtended strand (participates in β ladder)trans-89.3139.7177.5-65.5176.3-154.500110.7K187 R188 V189 K216 Q247 Y292K187-E218 PolarHBondContact O-N 2.64Å; R188-E218 CarbonylContact C-O 3.52Å; R188-E218 WeakPolarHBondContact CA-O 3.27Å; R188-E218 HydrophobicContact CG-CB 4.12Å; V189-E218 PolarHBondContact N-O 3.24Å; K216-E218 PolarHBondContact O-N 3.19Å; E218-Q247 CarbonylContact C-O 3.58Å; E218-Q247 WeakPolarHBondContact CA-O 3.37Å; E218-Y292 HydrophobicContact CB-CE2 4.11Å; E218-Y292 WeakPolarHBondContact CB-OH 3.45Å; E218-Y292 WeakPolarHBondContact OE2-CE1 3.42Å; E218-Y292 PolarHBondContact OE2-OH 3.33Å
219L98.9Very high95.9Very high0 Ų047.9 Ų47.90%022%0.222CC..EExtended strand (participates in β ladder)trans-124.9129.5-170.8-58.6-177000110.6V189 M191 A205 V208 L209 T217 Q247 F248 K249V189-L219 HydrophobicContact CB-CD2 3.71Å; V189-L219 HydrophobicContact CG1-CD2 4.48Å; V189-L219 HydrophobicContact CG2-CD2 4.14Å; V189-L219 WeakPolarHBondContact O-CA 3.44Å; M191-L219 HydrophobicContact CE-CB 4.02Å; M191-L219 HydrophobicContact CE-CD1 4.34Å; M191-L219 HydrophobicContact CE-CD2 4.5Å; A205-L219 HydrophobicContact CB-CD1 3.92Å; V208-L219 HydrophobicContact CB-CD1 4.03Å; V208-L219 HydrophobicContact CG1-CD1 4.17Å; V208-L219 HydrophobicContact CG1-CG 4.42Å; V208-L219 HydrophobicContact CG2-CD1 4.3Å; V208-L219 HydrophobicContact CG2-CD2 4.46Å; L209-L219 HydrophobicContact CG-CD1 4.38Å; T217-L219 HydrophobicContact CG2-CD2 4.12Å; L219-Q247 PolarHBondContact N-O 3.02Å; L219-F248 HydrophobicContact CB-CB 4.49Å; L219-F248 HydrophobicContact CB-CD2 3.65Å; L219-F248 HydrophobicContact CB-CE2 4.4Å; L219-F248 HydrophobicContact CB-CG 4.48Å; L219-F248 HydrophobicContact CD1-CD2 4.46Å; L219-F248 WeakPolarHBondContact O-CA 3.5Å; L219-K249 PolarHBondContact O-N 2.91Å
220A98.9Very high95.4Very high0 Ų048.6 Ų48.60%023%0.226CC..EExtended strand (participates in β ladder)trans-121.1122.817100000109.6V189 N190 M191 K249 L291 Y292V189-A220 PolarHBondContact O-N 3.03Å; N190-A220 CarbonylContact C-O 3.55Å; M191-A220 PolarHBondContact N-O 2.7Å; A220-K249 CarbonylContact C-O 3.59Å; A220-K249 WeakPolarHBondContact CA-O 3.3Å; A220-K249 HydrophobicContact CB-CD 4.26Å; A220-K249 HydrophobicContact CB-CG 3.86Å; A220-L291 HydrophobicContact CB-CD2 4.14Å; A220-Y292 HydrophobicContact CB-CD2 3.7Å; A220-Y292 HydrophobicContact CB-CE2 3.57Å
221L98.9Very high95.2Very high3 Ų345.8 Ų45.82%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-113.2121.1177.6175.759000111.2M191 A193 I198 M201 F223 L237 F248 K249 I250 W251M191-L221 HydrophobicContact CB-CB 4.48Å; M191-L221 HydrophobicContact CB-CD1 3.78Å; M191-L221 HydrophobicContact CE-CB 4.16Å; M191-L221 CarbonylContact O-C 3.56Å; M191-L221 WeakPolarHBondContact O-CA 3.44Å; A193-L221 HydrophobicContact CB-CD1 4.01Å; I198-L221 HydrophobicContact CD1-CD1 4.36Å; I198-L221 HydrophobicContact CD1-CD2 3.58Å; M201-L221 HydrophobicContact CB-CD1 4.35Å; M201-L221 HydrophobicContact CG-CD1 4.43Å; L221-F223 HydrophobicContact CD1-CB 4.4Å; L221-F223 HydrophobicContact CD2-CB 4.48Å; L221-F223 HydrophobicContact CG-CB 4.21Å; L221-L237 HydrophobicContact CD2-CD2 3.88Å; L221-F248 HydrophobicContact CB-CE2 3.81Å; L221-F248 HydrophobicContact CB-CZ 4.25Å; L221-F248 HydrophobicContact CD2-CE2 4.46Å; L221-F248 HydrophobicContact CD2-CZ 4.15Å; L221-K249 PolarHBondContact N-O 3.49Å; L221-I250 HydrophobicContact CB-CG1 4.16Å; L221-I250 HydrophobicContact CD2-CD1 3.62Å; L221-I250 HydrophobicContact CD2-CG1 4.04Å; L221-I250 HydrophobicContact CG-CD1 4.25Å; L221-I250 HydrophobicContact CG-CG1 4.12Å; L221-I250 CarbonylContact O-C 3.51Å; L221-I250 WeakPolarHBondContact O-CA 3.47Å; L221-W251 PolarHBondContact O-N 2.9Å
222L98.8Very high95.1Very high0 Ų040.2 Ų40.20%019%0.194CC..EExtended strand (participates in β ladder)trans-101.8111.7163.6179.159.9000108.9M191 I192 A193 W251 V282 M286 M287 L291M191-L222 PolarHBondContact O-N 3.37Å; I192-L222 WeakPolarHBondContact CA-O 3.33Å; I192-L222 HydrophobicContact CG2-CB 4.47Å; A193-L222 PolarHBondContact N-O 3.26Å; L222-W251 WeakPolarHBondContact CA-O 3.37Å; L222-W251 HydrophobicContact CD1-CB 4.34Å; L222-V282 HydrophobicContact CD2-CG1 3.83Å; L222-V282 HydrophobicContact CD2-CG2 4.17Å; L222-V282 HydrophobicContact CG-CG2 4.43Å; L222-M286 HydrophobicContact CD2-CB 4.07Å; L222-M287 HydrophobicContact CD2-CG 4.05Å; L222-L291 HydrophobicContact CB-CD2 4.02Å
223F98.6Very high94.9Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-113.7117-174.3-171-160.7000112.1A193 G195 I198 L221 N225 I231 L237 W251 Y252 T253A193-F223 HydrophobicContact CB-CD2 3.58Å; A193-F223 HydrophobicContact CB-CE2 4.05Å; A193-F223 HydrophobicContact CB-CG 4.35Å; A193-F223 WeakPolarHBondContact O-CD2 3.48Å; G195-F223 VanDerWaalsContact O-CE2 3.23Å; G195-F223 WeakPolarHBondContact O-CE2 3.36Å; G195-F223 WeakPolarHBondContact O-CZ 3.49Å; I198-F223 HydrophobicContact CB-CD2 4.48Å; I198-F223 HydrophobicContact CB-CE1 3.98Å; I198-F223 HydrophobicContact CB-CE2 3.75Å; I198-F223 HydrophobicContact CB-CZ 3.47Å; I198-F223 VanDerWaalsContact CB-CZ 3.47Å; I198-F223 HydrophobicContact CD1-CD1 3.88Å; I198-F223 HydrophobicContact CD1-CD2 4.3Å; I198-F223 HydrophobicContact CD1-CE1 3.93Å; I198-F223 HydrophobicContact CD1-CE2 4.35Å; I198-F223 HydrophobicContact CD1-CG 4.1Å; I198-F223 HydrophobicContact CD1-CZ 4.18Å; I198-F223 HydrophobicContact CG1-CD1 4.23Å; I198-F223 HydrophobicContact CG1-CE1 3.74Å; I198-F223 HydrophobicContact CG1-CE2 4.3Å; I198-F223 HydrophobicContact CG1-CZ 3.8Å; I198-F223 HydrophobicContact CG2-CE1 4.45Å; I198-F223 HydrophobicContact CG2-CE2 4.45Å; I198-F223 HydrophobicContact CG2-CZ 3.84Å; L221-F223 HydrophobicContact CD1-CB 4.4Å; L221-F223 HydrophobicContact CD2-CB 4.48Å; L221-F223 HydrophobicContact CG-CB 4.21Å; F223-N225 WeakPolarHBondContact CD2-OD1 3.3Å; F223-N225 VanDerWaalsContact CE2-OD1 3.26Å; F223-N225 WeakPolarHBondContact CE2-OD1 3.26Å; F223-N225 WeakPolarHBondContact CZ-ND2 3.16Å; F223-N225 WeakPolarHBondContact CZ-OD1 3.36Å; F223-I231 HydrophobicContact CD1-CG2 3.92Å; F223-I231 HydrophobicContact CE1-CG2 3.63Å; F223-L237 HydrophobicContact CD1-CD1 3.99Å; F223-L237 HydrophobicContact CE1-CD1 4.07Å; F223-W251 PolarHBondContact N-O 2.57Å; F223-Y252 HydrophobicContact CB-CD1 4.07Å; F223-Y252 HydrophobicContact CB-CE1 4.45Å; F223-Y252 HydrophobicContact CD1-CD1 4.06Å; F223-Y252 AromaticContact CD1-CE1 3.92Å; F223-Y252 HydrophobicContact CD1-CE1 3.92Å; F223-Y252 HydrophobicContact CG-CD1 4.47Å; F223-Y252 CarbonylContact O-C 3.5Å; F223-Y252 WeakPolarHBondContact O-CA 3.49Å; F223-T253 PolarHBondContact O-N 3.02Å
224A97.8Very high94.8Very high14 Ų1437.5 Ų37.512%0.11617%0.171CC..EExtended strand (participates in β ladder)trans-105.2128.4-177.100000112.6A193 G194 G195 T253 V282 M308A193-A224 PolarHBondContact O-N 2.83Å; G194-A224 WeakPolarHBondContact CA-O 3.4Å; G195-A224 PolarHBondContact N-O 3.01Å; A224-T253 WeakPolarHBondContact CA-O 3.23Å; A224-T253 HydrophobicContact CB-CG2 3.64Å; A224-V282 HydrophobicContact CB-CG2 3.71Å; A224-M308 HydrophobicContact CB-SD 4.36Å
225N94.8Very high94.6Very high13 Ų1333.7 Ų33.77%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-134.8172.2177.6-64.282.3000110.5F223 D230 I231 T253 V254 D255F223-N225 WeakPolarHBondContact CD2-OD1 3.3Å; F223-N225 VanDerWaalsContact CE2-OD1 3.26Å; F223-N225 WeakPolarHBondContact CE2-OD1 3.26Å; F223-N225 WeakPolarHBondContact CZ-ND2 3.16Å; F223-N225 WeakPolarHBondContact CZ-OD1 3.36Å; N225-D230 HydrophobicContact CB-CB 4.15Å; N225-D230 PolarHBondContact ND2-O 2.71Å; N225-I231 HydrophobicContact CB-CG1 4.07Å; N225-T253 PolarHBondContact N-O 2.79Å; N225-V254 VanDerWaalsContact O-CA 3.31Å; N225-V254 WeakPolarHBondContact O-CA 3.42Å; N225-D255 PolarHBondContact O-N 3.26Å
226Q90.3Very high94.4Very high75 Ų7536.2 Ų36.235%0.3518%0.179SC..SBendtrans-76.9-47175.4-67.5-173.423.600111.3D255 K256Q226-D255 WeakPolarHBondContact CA-OD1 3.23Å; Q226-D255 WeakPolarHBondContact CB-OD1 3.29Å; Q226-D255 PolarHBondContact O-N 2.75Å; Q226-K256 HydrophobicContact CB-CD 4.47Å; Q226-K256 WeakPolarHBondContact O-CB 3.28Å; Q226-K256 PolarHBondContact O-N 2.78Å
227S89Confident94.3Very high5 Ų529.6 Ų29.64%0.03515%0.151CC..SBendtrans-140.8169.217867.40000111.3K229 D230S227-K229 VanDerWaalsContact C-N 3.28Å; S227-K229 PolarHBondContact O-N 2.92Å; S227-K229 WeakPolarHBondContact OG-CE 3.3Å; S227-K229 WeakPolarHBondContact OG-CG 3.28Å; S227-D230 PolarHBondContact N-OD2 2.88Å; S227-D230 VanDerWaalsContact N-OD2 3.1Å; S227-D230 WeakPolarHBondContact O-CA 3.39Å; S227-D230 WeakPolarHBondContact O-CB 3.45Å; S227-D230 PolarHBondContact O-N 3.08Å; S227-D230 PolarHBondContact OG-OD2 3.41Å
228E88.7Confident94.3Very high70 Ų7031.8 Ų31.833%0.32716%0.162SC..G310 helixtrans-60.9-36.4-178.8-174.7172.7178.900112.6D230 I231 R234 W275E228-D230 PolarHBondContact O-N 3.4Å; E228-I231 HydrophobicContact CG-CD1 4.32Å; E228-I231 WeakPolarHBondContact O-CB 3.42Å; E228-I231 WeakPolarHBondContact O-CG1 3.28Å; E228-I231 PolarHBondContact O-N 3.37Å; E228-R234 IonicContact OE1-CZ 3.2Å; E228-R234 IonicContact OE1-NH1 3.71Å; E228-R234 PolarHBondContact OE1-NH1 2.93Å; E228-R234 IonicContact OE1-NH2 2.79Å; E228-W275 HydrophobicContact CB-CE3 4.43Å; E228-W275 HydrophobicContact CB-CZ3 4.26Å; E228-W275 HydrophobicContact CG-CE3 4.29Å; E228-W275 HydrophobicContact CG-CZ3 4.03Å
229K86.4Confident94.2Very high119 Ų11932.6 Ų32.652%0.51717%0.166SC..G310 helixtrans-67.1-15.5174.363.8177.7-176-138.20113.8S227 E259S227-K229 VanDerWaalsContact C-N 3.28Å; S227-K229 PolarHBondContact O-N 2.92Å; S227-K229 WeakPolarHBondContact OG-CE 3.3Å; S227-K229 WeakPolarHBondContact OG-CG 3.28Å; K229-E259 IonicContact NZ-OE1 2.91Å; K229-E259 IonicContact NZ-OE2 3.97Å; K229-E259 PolarHBondContact NZ-OE2 3.32Å
230D88.5Confident94.2Very high16 Ų1633.8 Ų33.89%0.08617%0.172CC..G310 helixtrans-90-1.7176.7-66.1-67.3000112.7K125 N225 S227 E228 L232K125-D230 IonicContact NZ-OD1 3.74Å; K125-D230 PolarHBondContact NZ-OD1 3.03Å; N225-D230 HydrophobicContact CB-CB 4.15Å; N225-D230 PolarHBondContact ND2-O 2.71Å; S227-D230 PolarHBondContact N-OD2 2.88Å; S227-D230 VanDerWaalsContact N-OD2 3.1Å; S227-D230 WeakPolarHBondContact O-CA 3.39Å; S227-D230 WeakPolarHBondContact O-CB 3.45Å; S227-D230 PolarHBondContact O-N 3.08Å; S227-D230 PolarHBondContact OG-OD2 3.41Å; E228-D230 PolarHBondContact O-N 3.4Å; D230-L232 WeakPolarHBondContact O-CD1 3.4Å; D230-L232 PolarHBondContact O-N 2.87Å
231I92.1Very high94.1Very high16 Ų1634.6 Ų34.68%0.08218%0.179CC..  trans-75.297178.8-56.1174.4000108.6F223 N225 E228 R234 Y252 W275F223-I231 HydrophobicContact CD1-CG2 3.92Å; F223-I231 HydrophobicContact CE1-CG2 3.63Å; N225-I231 HydrophobicContact CB-CG1 4.07Å; E228-I231 HydrophobicContact CG-CD1 4.32Å; E228-I231 WeakPolarHBondContact O-CB 3.42Å; E228-I231 WeakPolarHBondContact O-CG1 3.28Å; E228-I231 PolarHBondContact O-N 3.37Å; I231-R234 HydrophobicContact CB-CB 4.26Å; I231-R234 HydrophobicContact CG2-CB 3.68Å; I231-R234 HydrophobicContact CG2-CG 4.03Å; I231-Y252 HydrophobicContact CD1-CD1 4.02Å; I231-Y252 HydrophobicContact CD1-CE1 4.5Å; I231-Y252 HydrophobicContact CD1-CG 4.42Å; I231-Y252 HydrophobicContact CG2-CD1 4.05Å; I231-Y252 HydrophobicContact CG2-CE1 3.71Å; I231-W275 HydrophobicContact CD1-CH2 3.92Å; I231-W275 HydrophobicContact CD1-CZ3 3.96Å
232L92Very high94.1Very high7 Ų742 Ų424%0.03721%0.214CC..THydrogen-bonded Turntrans-65.4138.3174.6-84.772.4000110.4T71 K125 T196 I198 D230 R234T71-L232 HydrophobicContact CG2-CD2 4.29Å; T71-L232 HydrophobicContact CG2-CG 4.19Å; K125-L232 HydrophobicContact CB-CD2 4.22Å; K125-L232 HydrophobicContact CD-CD1 4.37Å; T196-L232 HydrophobicContact CG2-CD2 4.15Å; I198-L232 HydrophobicContact CG2-CB 4.04Å; D230-L232 WeakPolarHBondContact O-CD1 3.4Å; D230-L232 PolarHBondContact O-N 2.87Å; L232-R234 PolarHBondContact O-N 2.73Å
233L92.6Very high94.1Very high12 Ų1248.1 Ų48.16%0.06324%0.24CC..THydrogen-bonded Turntrans60.928.2171.9-55.2164.1000113.5I111 V123 I198 T199 L202 A235 E236 L237I111-L233 HydrophobicContact CG2-CD1 4.03Å; V123-L233 HydrophobicContact CB-CD2 4.32Å; V123-L233 HydrophobicContact CG1-CD1 4.41Å; V123-L233 HydrophobicContact CG1-CD2 4.04Å; V123-L233 HydrophobicContact CG1-CG 4.28Å; V123-L233 HydrophobicContact CG2-CD2 4.12Å; I198-L233 HydrophobicContact CG2-CD1 4.32Å; T199-L233 HydrophobicContact CG2-CD1 4.46Å; L202-L233 HydrophobicContact CD2-CB 4.19Å; L202-L233 HydrophobicContact CD2-CD1 3.57Å; L202-L233 HydrophobicContact CD2-CG 4.29Å; L233-A235 PolarHBondContact O-N 2.89Å; L233-E236 VanDerWaalsContact CA-OE2 3.22Å; L233-E236 WeakPolarHBondContact CA-OE2 3.35Å; L233-E236 WeakPolarHBondContact CD2-OE1 3.31Å; L233-E236 PolarHBondContact O-N 2.85Å; L233-L237 WeakPolarHBondContact O-CD1 3.36Å; L233-L237 VanDerWaalsContact O-CG 3.22Å; L233-L237 WeakPolarHBondContact O-CG 3.39Å; L233-L237 PolarHBondContact O-N 2.81Å
234R93.2Very high94.1Very high69 Ų6950 Ų5026%0.2625%0.249SC..Hα-helixtrans-59.4-47-176.7-175.6175.6170.2-167.85.4112.5E228 I231 L232 E236 L237 D238E228-R234 IonicContact OE1-CZ 3.2Å; E228-R234 IonicContact OE1-NH1 3.71Å; E228-R234 PolarHBondContact OE1-NH1 2.93Å; E228-R234 IonicContact OE1-NH2 2.79Å; I231-R234 HydrophobicContact CB-CB 4.26Å; I231-R234 HydrophobicContact CG2-CB 3.68Å; I231-R234 HydrophobicContact CG2-CG 4.03Å; L232-R234 PolarHBondContact O-N 2.73Å; R234-E236 VanDerWaalsContact C-N 3.27Å; R234-E236 PolarHBondContact O-N 2.78Å; R234-L237 PolarHBondContact O-N 3Å; R234-D238 WeakPolarHBondContact CG-OD2 3.45Å; R234-D238 IonicContact NE-OD2 3.61Å; R234-D238 PolarHBondContact NE-OD2 3.05Å; R234-D238 WeakPolarHBondContact O-CB 3.47Å; R234-D238 PolarHBondContact O-N 3.22Å
235A92.6Very high94.1Very high70 Ų7053.5 Ų53.558%0.57927%0.27SS*.Hα-helixtrans-59.9-42-176.900000111L233 E239L233-A235 PolarHBondContact O-N 2.89Å; A235-E239 VanDerWaalsContact O-CB 3.28Å; A235-E239 WeakPolarHBondContact O-CB 3.45Å; A235-E239 PolarHBondContact O-N 2.82Å
236E94.1Very high94.2Very high54 Ų5460.2 Ų60.225%0.25231%0.306SS..Hα-helixtrans-69.1-36.8178.6-59.494.4140.200112.3L233 R234 L240L233-E236 VanDerWaalsContact CA-OE2 3.22Å; L233-E236 WeakPolarHBondContact CA-OE2 3.35Å; L233-E236 WeakPolarHBondContact CD2-OE1 3.31Å; L233-E236 PolarHBondContact O-N 2.85Å; R234-E236 VanDerWaalsContact C-N 3.27Å; R234-E236 PolarHBondContact O-N 2.78Å; E236-L240 VanDerWaalsContact O-CG 3.25Å; E236-L240 WeakPolarHBondContact O-CG 3.42Å; E236-L240 PolarHBondContact O-N 3.12Å; E236-L240 VanDerWaalsContact O-N 3.11Å
237L97.3Very high94.6Very high1 Ų157.7 Ų57.71%0.00529%0.294CS..Hα-helixtrans-69-45.6175.8-69.5164.7000111.9I198 L202 L221 F223 L233 R234 E239 L240 A241 F248 I250I198-L237 HydrophobicContact CD1-CD1 3.74Å; I198-L237 HydrophobicContact CD1-CD2 4.03Å; I198-L237 HydrophobicContact CG1-CD1 3.85Å; I198-L237 HydrophobicContact CG1-CD2 4.5Å; L202-L237 HydrophobicContact CD1-CD2 3.91Å; L221-L237 HydrophobicContact CD2-CD2 3.88Å; F223-L237 HydrophobicContact CD1-CD1 3.99Å; F223-L237 HydrophobicContact CE1-CD1 4.07Å; L233-L237 WeakPolarHBondContact O-CD1 3.36Å; L233-L237 VanDerWaalsContact O-CG 3.22Å; L233-L237 WeakPolarHBondContact O-CG 3.39Å; L233-L237 PolarHBondContact O-N 2.81Å; R234-L237 PolarHBondContact O-N 3Å; L237-E239 VanDerWaalsContact C-N 3.33Å; L237-L240 PolarHBondContact O-N 3.28Å; L237-A241 PolarHBondContact O-N 2.51Å; L237-F248 HydrophobicContact CD2-CZ 4.27Å; L237-I250 HydrophobicContact CB-CD1 3.63Å; L237-I250 HydrophobicContact CD1-CD1 3.97Å; L237-I250 HydrophobicContact CD2-CD1 4.18Å; L237-I250 HydrophobicContact CG-CD1 4.14Å
238D97.2Very high95Very high50 Ų5057.6 Ų57.627%0.26729%0.293SS..Hα-helixtrans-63.6-40.5178.2-72.9-13.6000110.5R234 A241 Q242 Y252R234-D238 WeakPolarHBondContact CG-OD2 3.45Å; R234-D238 IonicContact NE-OD2 3.61Å; R234-D238 PolarHBondContact NE-OD2 3.05Å; R234-D238 WeakPolarHBondContact O-CB 3.47Å; R234-D238 PolarHBondContact O-N 3.22Å; D238-A241 PolarHBondContact O-N 2.71Å; D238-Q242 VanDerWaalsContact O-CB 3.31Å; D238-Q242 WeakPolarHBondContact O-CB 3.46Å; D238-Q242 PolarHBondContact O-N 2.8Å; D238-Y252 WeakPolarHBondContact OD1-CE2 3.42Å; D238-Y252 PolarHBondContact OD1-OH 3.44Å
239E97.5Very high95.5Very high91 Ų9157.9 Ų57.943%0.42529%0.293SS..Hα-helixtrans-62.1-43.6174.6-175.2-175.6-173.700112.1A235 L237 Q242 K243A235-E239 VanDerWaalsContact O-CB 3.28Å; A235-E239 WeakPolarHBondContact O-CB 3.45Å; A235-E239 PolarHBondContact O-N 2.82Å; L237-E239 VanDerWaalsContact C-N 3.33Å; E239-Q242 PolarHBondContact O-N 2.95Å; E239-K243 HydrophobicContact CG-CD 4.06Å; E239-K243 WeakPolarHBondContact O-CB 3.26Å; E239-K243 WeakPolarHBondContact O-CG 3.11Å; E239-K243 PolarHBondContact O-N 2.9Å; E239-K243 VanDerWaalsContact OE1-CE 3.3Å; E239-K243 WeakPolarHBondContact OE1-CE 3.13Å; E239-K243 IonicContact OE1-NZ 3.52Å; E239-K243 PolarHBondContact OE1-NZ 2.73Å
240L98.1Very high96.1Very high24 Ų2453.2 Ų53.213%0.12627%0.274CS..Hα-helixtrans-62.8-44.2176.4-74.1173.4000111.5L202 A205 R206 L209 E236 L237 Q242 K243 H244 F248L202-L240 HydrophobicContact CD1-CD1 3.58Å; A205-L240 HydrophobicContact CB-CD1 4.47Å; R206-L240 HydrophobicContact CG-CD1 3.94Å; L209-L240 HydrophobicContact CD1-CB 4.05Å; L209-L240 HydrophobicContact CD1-CD2 4.12Å; L209-L240 HydrophobicContact CD1-CG 4.47Å; E236-L240 VanDerWaalsContact O-CG 3.25Å; E236-L240 WeakPolarHBondContact O-CG 3.42Å; E236-L240 PolarHBondContact O-N 3.12Å; E236-L240 VanDerWaalsContact O-N 3.11Å; L237-L240 PolarHBondContact O-N 3.28Å; L240-Q242 VanDerWaalsContact C-N 3.34Å; L240-K243 PolarHBondContact O-N 3.12Å; L240-H244 WeakPolarHBondContact O-CB 2.98Å; L240-H244 PolarHBondContact O-CD2 3.16Å; L240-H244 PolarHBondContact O-N 2.79Å; L240-F248 HydrophobicContact CB-CD1 3.79Å; L240-F248 HydrophobicContact CB-CE1 3.81Å
241A98.2Very high96.5Very high17 Ų1755.9 Ų55.914%0.1428%0.283CS..Hα-helixtrans-64.8-40.1178.300000111.3L237 D238 H244 P245 F248 I250L237-A241 PolarHBondContact O-N 2.51Å; D238-A241 PolarHBondContact O-N 2.71Å; A241-H244 CarbonylContact O-C 3.42Å; A241-H244 PolarHBondContact O-N 3.12Å; A241-P245 WeakPolarHBondContact O-CA 3.28Å; A241-F248 HydrophobicContact CB-CD1 3.98Å; A241-F248 HydrophobicContact CB-CE1 4.24Å; A241-I250 HydrophobicContact CB-CG2 3.77Å
242Q98Very high96.8Very high160 Ų16055.1 Ų55.175%0.74828%0.279SS*.Hα-helixtrans-65.5-38.9176.5-173.4-17927.200112.7D238 E239 L240D238-Q242 VanDerWaalsContact O-CB 3.31Å; D238-Q242 WeakPolarHBondContact O-CB 3.46Å; D238-Q242 PolarHBondContact O-N 2.8Å; E239-Q242 PolarHBondContact O-N 2.95Å; L240-Q242 VanDerWaalsContact C-N 3.34Å
243K98.2Very high97Very high128 Ų12854.9 Ų54.956%0.55728%0.278SS*.Hα-helixtrans-75.5-25.1178.9-76.3176.8173.1173.60113.3E239 L240 P245E239-K243 HydrophobicContact CG-CD 4.06Å; E239-K243 WeakPolarHBondContact O-CB 3.26Å; E239-K243 WeakPolarHBondContact O-CG 3.11Å; E239-K243 PolarHBondContact O-N 2.9Å; E239-K243 VanDerWaalsContact OE1-CE 3.3Å; E239-K243 WeakPolarHBondContact OE1-CE 3.13Å; E239-K243 IonicContact OE1-NZ 3.52Å; E239-K243 PolarHBondContact OE1-NZ 2.73Å; L240-K243 PolarHBondContact O-N 3.12Å; K243-P245 VanDerWaalsContact C-CD 3.49Å
244H98.3Very high97.1Very high40 Ų4054.3 Ų54.319%0.18528%0.275CS..  trans-132.554.8-174.5-58.1-89.1000112.6L209 L240 A241 D246 Q247 F248L209-H244 HydrophobicContact CD1-CB 4.32Å; L209-H244 HydrophobicContact CD2-CB 3.76Å; L209-H244 PolarHBondContact O-CE1 2.86Å; L240-H244 WeakPolarHBondContact O-CB 2.98Å; L240-H244 PolarHBondContact O-CD2 3.16Å; L240-H244 PolarHBondContact O-N 2.79Å; A241-H244 CarbonylContact O-C 3.42Å; A241-H244 PolarHBondContact O-N 3.12Å; H244-D246 VanDerWaalsContact C-N 3.26Å; H244-D246 PolarHBondContact O-N 2.92Å; H244-Q247 HydrophobicContact CB-CB 4.39Å; H244-Q247 PolarHBondContact O-N 3.09Å; H244-F248 HydrophobicContact CB-CB 4.47Å; H244-F248 PolarHBondContact O-N 3.43Å
245P97.8Very high96.8Very high86 Ų8653.8 Ų53.856%0.55828%0.277SS*.THydrogen-bonded Turntrans-62.8-30.7-17026.1-35.6000113.5A241 K243 Q247A241-P245 WeakPolarHBondContact O-CA 3.28Å; K243-P245 VanDerWaalsContact C-CD 3.49Å; P245-Q247 VanDerWaalsContact C-N 3.32Å
246D97.4Very high96.2Very high155 Ų15555.6 Ų55.683%0.82927%0.272SS*.THydrogen-bonded Turntrans-81.2-12.4179.5-58-42.8000113.3H244H244-D246 VanDerWaalsContact C-N 3.26Å; H244-D246 PolarHBondContact O-N 2.92Å
247Q98.4Very high94.6Very high22 Ų2253.4 Ų53.410%0.10326%0.263CS..THydrogen-bonded Turntrans-121.1-25.1-172.6-168.9174.713.700113.1L209 D215 T217 E218 L219 H244 P245L209-Q247 HydrophobicContact CD2-CB 4.04Å; L209-Q247 HydrophobicContact CD2-CG 3.75Å; D215-Q247 PolarHBondContact O-NE2 2.83Å; T217-Q247 WeakPolarHBondContact O-CG 3.29Å; T217-Q247 PolarHBondContact O-NE2 3.07Å; E218-Q247 CarbonylContact C-O 3.58Å; E218-Q247 WeakPolarHBondContact CA-O 3.37Å; L219-Q247 PolarHBondContact N-O 3.02Å; H244-Q247 HydrophobicContact CB-CB 4.39Å; H244-Q247 PolarHBondContact O-N 3.09Å; P245-Q247 VanDerWaalsContact C-N 3.32Å
248F98.8Very high92.5Very high2 Ų259.7 Ų59.71%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-134.2111.3-179.5-179.8-134.9000111.6M191 L209 L219 L221 L237 L240 A241 H244 I250M191-F248 HydrophobicContact CE-CE2 4.01Å; L209-F248 HydrophobicContact CD1-CB 3.72Å; L209-F248 HydrophobicContact CD1-CD1 3.82Å; L209-F248 HydrophobicContact CD1-CG 3.9Å; L209-F248 HydrophobicContact CD2-CB 4.04Å; L209-F248 HydrophobicContact CG-CB 4.47Å; L219-F248 HydrophobicContact CB-CB 4.49Å; L219-F248 HydrophobicContact CB-CD2 3.65Å; L219-F248 HydrophobicContact CB-CE2 4.4Å; L219-F248 HydrophobicContact CB-CG 4.48Å; L219-F248 HydrophobicContact CD1-CD2 4.46Å; L219-F248 WeakPolarHBondContact O-CA 3.5Å; L221-F248 HydrophobicContact CB-CE2 3.81Å; L221-F248 HydrophobicContact CB-CZ 4.25Å; L221-F248 HydrophobicContact CD2-CE2 4.46Å; L221-F248 HydrophobicContact CD2-CZ 4.15Å; L237-F248 HydrophobicContact CD2-CZ 4.27Å; L240-F248 HydrophobicContact CB-CD1 3.79Å; L240-F248 HydrophobicContact CB-CE1 3.81Å; A241-F248 HydrophobicContact CB-CD1 3.98Å; A241-F248 HydrophobicContact CB-CE1 4.24Å; H244-F248 HydrophobicContact CB-CB 4.47Å; H244-F248 PolarHBondContact O-N 3.43Å; F248-I250 HydrophobicContact CZ-CB 4.28Å; F248-I250 HydrophobicContact CZ-CD1 4.42Å
249K98.4Very high90.4Very high77 Ų7761.5 Ų61.534%0.33530%0.304SS..EExtended strand (participates in β ladder)trans-106139.4169.663.5178.6178168.30110.7L219 A220 L221 H290L219-K249 PolarHBondContact O-N 2.91Å; A220-K249 CarbonylContact C-O 3.59Å; A220-K249 WeakPolarHBondContact CA-O 3.3Å; A220-K249 HydrophobicContact CB-CD 4.26Å; A220-K249 HydrophobicContact CB-CG 3.86Å; L221-K249 PolarHBondContact N-O 3.49Å; K249-H290 WeakPolarHBondContact CE-O 3.27Å; K249-H290 PolarHBondContact NZ-O 3.41Å
250I98.4Very high88.1Confident21 Ų2158.5 Ų58.511%0.10829%0.294CS..EExtended strand (participates in β ladder)trans-125.8141.1176.4-171.7164.8000110.1L221 L237 A241 F248 Y252L221-I250 HydrophobicContact CB-CG1 4.16Å; L221-I250 HydrophobicContact CD2-CD1 3.62Å; L221-I250 HydrophobicContact CD2-CG1 4.04Å; L221-I250 HydrophobicContact CG-CD1 4.25Å; L221-I250 HydrophobicContact CG-CG1 4.12Å; L221-I250 CarbonylContact O-C 3.51Å; L221-I250 WeakPolarHBondContact O-CA 3.47Å; L237-I250 HydrophobicContact CB-CD1 3.63Å; L237-I250 HydrophobicContact CD1-CD1 3.97Å; L237-I250 HydrophobicContact CD2-CD1 4.18Å; L237-I250 HydrophobicContact CG-CD1 4.14Å; A241-I250 HydrophobicContact CB-CG2 3.77Å; F248-I250 HydrophobicContact CZ-CB 4.28Å; F248-I250 HydrophobicContact CZ-CD1 4.42Å; I250-Y252 HydrophobicContact CD1-CE1 3.65Å; I250-Y252 HydrophobicContact CD1-CE2 4.11Å; I250-Y252 VanDerWaalsContact CD1-CZ 3.41Å; I250-Y252 VanDerWaalsContact CD1-OH 3.28Å; I250-Y252 WeakPolarHBondContact CD1-OH 3.32Å; I250-Y252 HydrophobicContact CG1-CE1 4.12Å; I250-Y252 HydrophobicContact CG1-CE2 4.05Å; I250-Y252 HydrophobicContact CG2-CE2 4.17Å
251W98.4Very high85.8Confident72 Ų7263.8 Ų63.827%0.27332%0.321SS..EExtended strand (participates in β ladder)trans-137.2139.5174-162.4-98.1000110.4L221 L222 F223 Y277 N278 H290L221-W251 PolarHBondContact O-N 2.9Å; L222-W251 WeakPolarHBondContact CA-O 3.37Å; L222-W251 HydrophobicContact CD1-CB 4.34Å; F223-W251 PolarHBondContact N-O 2.57Å; W251-Y277 AromaticContact CD2-CD1 3.82Å; W251-Y277 HydrophobicContact CD2-CD1 3.82Å; W251-Y277 AromaticContact CE3-CD1 3.84Å; W251-Y277 HydrophobicContact CE3-CD1 3.84Å; W251-Y277 HydrophobicContact CE3-CE1 4.16Å; W251-Y277 HydrophobicContact CG-CD1 4.4Å; W251-Y277 HydrophobicContact CH2-CD1 4.29Å; W251-Y277 HydrophobicContact CZ2-CD1 4.26Å; W251-Y277 HydrophobicContact CZ3-CD1 4.08Å; W251-Y277 HydrophobicContact CZ3-CE1 4.39Å; W251-N278 PolarHBondContact NE1-OD1 3.37Å; W251-H290 HydrophobicContact CB-CB 3.89Å; W251-H290 AromaticContact CD1-CD2 3.3Å; W251-H290 AromaticContact CD1-CE1 3.94Å; W251-H290 AromaticContact CD1-CG 3.63Å; W251-H290 AromaticContact CD1-NE2 3.53Å; W251-H290 AromaticContact CD2-CD2 3.95Å; W251-H290 AromaticContact CD2-CE1 3.28Å; W251-H290 AromaticContact CD2-CG 3.78Å; W251-H290 AromaticContact CD2-ND1 3.35Å; W251-H290 AromaticContact CD2-NE2 3.66Å; W251-H290 AromaticContact CE2-CD2 3.83Å; W251-H290 AromaticContact CE2-CE1 3.14Å; W251-H290 AromaticContact CE2-ND1 3.73Å; W251-H290 AromaticContact CE2-NE2 3.19Å; W251-H290 AromaticContact CE3-CE1 3.67Å; W251-H290 AromaticContact CE3-ND1 3.64Å; W251-H290 HydrophobicContact CG-CB 4.09Å; W251-H290 AromaticContact CG-CD2 3.63Å; W251-H290 AromaticContact CG-CE1 3.8Å; W251-H290 AromaticContact CG-CG 3.45Å; W251-H290 VanDerWaalsContact CG-CG 3.45Å; W251-H290 AromaticContact CG-ND1 3.56Å; W251-H290 AromaticContact CG-NE2 3.85Å; W251-H290 AromaticContact CH2-CE1 3.77Å; W251-H290 AromaticContact CZ2-CE1 3.39Å; W251-H290 WeakPolarHBondContact CZ2-CE1 3.43Å; W251-H290 AromaticContact CZ2-NE2 3.63Å; W251-H290 AromaticContact CZ3-CE1 3.9Å; W251-H290 AromaticContact NE1-CD2 3.4Å; W251-H290 PolarHBondContact NE1-CD2 3.15Å; W251-H290 AromaticContact NE1-CE1 3.54Å; W251-H290 AromaticContact NE1-CG 3.99Å; W251-H290 AromaticContact NE1-NE2 3.08Å; W251-H290 PolarHBondContact NE1-NE2 3.28Å
252Y97.7Very high83.3Confident0 Ų069 Ų690%034%0.341CS..EExtended strand (participates in β ladder)trans-111.4153.6-175.4-58-85.2000112F223 I231 D238 I250 W275 Y277 N278F223-Y252 HydrophobicContact CB-CD1 4.07Å; F223-Y252 HydrophobicContact CB-CE1 4.45Å; F223-Y252 HydrophobicContact CD1-CD1 4.06Å; F223-Y252 AromaticContact CD1-CE1 3.92Å; F223-Y252 HydrophobicContact CD1-CE1 3.92Å; F223-Y252 HydrophobicContact CG-CD1 4.47Å; F223-Y252 CarbonylContact O-C 3.5Å; F223-Y252 WeakPolarHBondContact O-CA 3.49Å; I231-Y252 HydrophobicContact CD1-CD1 4.02Å; I231-Y252 HydrophobicContact CD1-CE1 4.5Å; I231-Y252 HydrophobicContact CD1-CG 4.42Å; I231-Y252 HydrophobicContact CG2-CD1 4.05Å; I231-Y252 HydrophobicContact CG2-CE1 3.71Å; D238-Y252 WeakPolarHBondContact OD1-CE2 3.42Å; D238-Y252 PolarHBondContact OD1-OH 3.44Å; I250-Y252 HydrophobicContact CD1-CE1 3.65Å; I250-Y252 HydrophobicContact CD1-CE2 4.11Å; I250-Y252 VanDerWaalsContact CD1-CZ 3.41Å; I250-Y252 VanDerWaalsContact CD1-OH 3.28Å; I250-Y252 WeakPolarHBondContact CD1-OH 3.32Å; I250-Y252 HydrophobicContact CG1-CE1 4.12Å; I250-Y252 HydrophobicContact CG1-CE2 4.05Å; I250-Y252 HydrophobicContact CG2-CE2 4.17Å; Y252-W275 HydrophobicContact CG-CH2 4.47Å; Y252-Y277 AromaticContact CD2-CD1 3.98Å; Y252-Y277 HydrophobicContact CD2-CD1 3.98Å; Y252-Y277 AromaticContact CD2-CD2 3.88Å; Y252-Y277 HydrophobicContact CD2-CD2 3.88Å; Y252-Y277 AromaticContact CD2-CE1 3.68Å; Y252-Y277 HydrophobicContact CD2-CE1 3.68Å; Y252-Y277 AromaticContact CD2-CE2 3.57Å; Y252-Y277 HydrophobicContact CD2-CE2 3.57Å; Y252-Y277 HydrophobicContact CD2-CG 4.07Å; Y252-Y277 AromaticContact CD2-CZ 3.47Å; Y252-Y277 VanDerWaalsContact CD2-CZ 3.47Å; Y252-Y277 HydrophobicContact CE2-CE1 4.31Å; Y252-Y277 HydrophobicContact CE2-CE2 4.16Å; Y252-Y277 AromaticContact CE2-CZ 3.86Å; Y252-Y277 HydrophobicContact CG-CD2 4.43Å; Y252-Y277 HydrophobicContact CG-CE2 4.5Å; Y252-Y277 WeakPolarHBondContact O-CB 3.33Å; Y252-N278 PolarHBondContact O-N 2.78Å
253T96.5Very high80.7Confident1 Ų172.1 Ų72.11%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-143.1142.4166.2-166.30000111.9F223 A224 N225 N278 G280 V282 M286F223-T253 PolarHBondContact O-N 3.02Å; A224-T253 WeakPolarHBondContact CA-O 3.23Å; A224-T253 HydrophobicContact CB-CG2 3.64Å; N225-T253 PolarHBondContact N-O 2.79Å; T253-N278 WeakPolarHBondContact CA-O 3.25Å; T253-N278 PolarHBondContact OG1-O 2.79Å; T253-G280 PolarHBondContact OG1-O 2.86Å; T253-G280 VanDerWaalsContact OG1-O 3.08Å; T253-V282 HydrophobicContact CG2-CG2 4.22Å; T253-M286 HydrophobicContact CG2-SD 4.13Å
254V94.3Very high77.9Confident1 Ų174.7 Ų74.71%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-129.3136.4179.9-63.80000111.7N225 W275 N278 T279 G280N225-V254 VanDerWaalsContact O-CA 3.31Å; N225-V254 WeakPolarHBondContact O-CA 3.42Å; V254-W275 HydrophobicContact CB-CZ2 4.19Å; V254-W275 HydrophobicContact CG1-CH2 3.63Å; V254-W275 HydrophobicContact CG1-CZ2 3.72Å; V254-W275 HydrophobicContact CG1-CZ3 4.32Å; V254-W275 HydrophobicContact CG2-CD2 4.24Å; V254-W275 HydrophobicContact CG2-CH2 4.29Å; V254-W275 HydrophobicContact CG2-CZ2 3.65Å; V254-N278 PolarHBondContact N-O 2.93Å; V254-T279 CarbonylContact O-C 3.54Å; V254-T279 WeakPolarHBondContact O-CA 3.47Å; V254-G280 PolarHBondContact O-N 3.49Å
255D87.9Confident75.5Confident57 Ų5775.9 Ų75.931%0.30537%0.373SS..SBendtrans-79.8-29.6-178.567.916.2000114N225 Q226 H281N225-D255 PolarHBondContact O-N 3.26Å; Q226-D255 WeakPolarHBondContact CA-OD1 3.23Å; Q226-D255 WeakPolarHBondContact CB-OD1 3.29Å; Q226-D255 PolarHBondContact O-N 2.75Å; D255-H281 IonicContact OD2-CE1 3.81Å
256K78.5Confident72.9Confident108 Ų10883.3 Ų83.347%0.4739%0.39SS..  trans-103.463.2179.1-70.5163.1-174.9171.10111.9Q226 N258 E259Q226-K256 HydrophobicContact CB-CD 4.47Å; Q226-K256 WeakPolarHBondContact O-CB 3.28Å; Q226-K256 PolarHBondContact O-N 2.78Å; K256-N258 PolarHBondContact O-N 3.01Å; K256-N258 VanDerWaalsContact O-N 3.13Å; K256-E259 PolarHBondContact O-N 2.79Å
257A60.9Low70.1Confident9 Ų984.6 Ų84.67%0.07439%0.393CS..THydrogen-bonded Turntrans-66-13177.700000115E259 A260 I261 T279A257-E259 PolarHBondContact O-N 2.95Å; A257-A260 HydrophobicContact CB-CB 4.4Å; A257-A260 CarbonylContact O-C 3.54Å; A257-A260 WeakPolarHBondContact O-CA 3.25Å; A257-A260 VanDerWaalsContact O-CB 3.28Å; A257-A260 WeakPolarHBondContact O-CB 3.39Å; A257-A260 PolarHBondContact O-N 2.88Å; A257-I261 PolarHBondContact O-N 2.61Å; A257-T279 HydrophobicContact CB-CG2 3.24Å; A257-T279 WeakPolarHBondContact CB-OG1 3.15Å
258N53.3Low67.7Low133 Ų13385.8 Ų85.871%0.71141%0.412SS*.THydrogen-bonded Turntrans-61.8-13.8172.7-72.4-16.8000112.8K256 K262K256-N258 PolarHBondContact O-N 3.01Å; K256-N258 VanDerWaalsContact O-N 3.13Å; N258-K262 WeakPolarHBondContact O-CD 3.37Å; N258-K262 WeakPolarHBondContact O-CG 3.29Å
259E53.9Low65.1Low88 Ų8894 Ų9441%0.41146%0.456SS..THydrogen-bonded Turntrans-87.4-26.3165.5-58-153.7151.300113.6K229 K256 A257 K262K229-E259 IonicContact NZ-OE1 2.91Å; K229-E259 IonicContact NZ-OE2 3.97Å; K229-E259 PolarHBondContact NZ-OE2 3.32Å; K256-E259 PolarHBondContact O-N 2.79Å; A257-E259 PolarHBondContact O-N 2.95Å; E259-K262 HydrophobicContact CG-CD 4.45Å; E259-K262 IonicContact OE1-NZ 3.06Å
260A49.2Very low62.9Low28 Ų2893.3 Ų93.323%0.23147%0.465CS..THydrogen-bonded Turntrans-72.6-24.5172.900000113.6A257 W275A257-A260 HydrophobicContact CB-CB 4.4Å; A257-A260 CarbonylContact O-C 3.54Å; A257-A260 WeakPolarHBondContact O-CA 3.25Å; A257-A260 VanDerWaalsContact O-CB 3.28Å; A257-A260 WeakPolarHBondContact O-CB 3.39Å; A257-A260 PolarHBondContact O-N 2.88Å; A260-W275 HydrophobicContact CB-CB 3.53Å; A260-W275 HydrophobicContact CB-CG 3.9Å
261I49.4Very low60.3Low134 Ų134103.9 Ų103.969%0.68750%0.503SS*.SBendtrans-99.6-1177.2-58.3175.5000111.9A257 R263A257-I261 PolarHBondContact O-N 2.61Å; I261-R263 PolarHBondContact O-N 3.39Å
262K45.7Very low58Low126 Ų126106.9 Ų106.955%0.54852%0.518SS..  trans-69.687.6-173.1-107.2172.3-162.4176.80113.2N258 E259N258-K262 WeakPolarHBondContact O-CD 3.37Å; N258-K262 WeakPolarHBondContact O-CG 3.29Å; E259-K262 HydrophobicContact CG-CD 4.45Å; E259-K262 IonicContact OE1-NZ 3.06Å
263R44.1Very low56.3Low226 Ų226112.5 Ų112.585%0.85355%0.553SS**  trans48.9117.9139.2-61.5175.381.3169.54118.2I261I261-R263 PolarHBondContact O-N 3.39Å
264M38.2Very low55.3Low183 Ų183116 Ų11690%0.90158%0.582SS**  trans-20.3124.3164.6-71.9-168.4-80.400114.7R266M264-R266 PolarHBondContact O-N 3.36Å
265P47.6Very low55Low65 Ų65117.8 Ų117.842%0.42259%0.588SS.*  trans-73.1124.2157.323.2-17.2000108M267 F272P265-M267 PolarHBondContact O-N 3.01Å; P265-F272 HydrophobicContact CB-CE2 4.45Å; P265-F272 HydrophobicContact CG-CD2 4.06Å; P265-F272 HydrophobicContact CG-CE2 3.05Å; P265-F272 HydrophobicContact CG-CZ 3.42Å; P265-F272 VanDerWaalsContact CG-CZ 3.42Å
266R43Very low55Low241 Ų241119 Ų11991%0.90960%0.602SS**SBendtrans-57.6121.8153.8-77.7-175159.8125-3.7107.5M264M264-R266 PolarHBondContact O-N 3.36Å
267M39.1Very low55.7Low182 Ų182116.9 Ų116.990%0.89759%0.591SS**SBendtrans66.2122.7170-69.1-161.2-88.500117.5P265P265-M267 PolarHBondContact O-N 3.01Å
268G47.8Very low57.4Low48 Ų48118.3 Ų118.350%0.49560%0.597SS.*SBendtrans10588.3157.800000115.4A270G268-A270 PolarHBondContact O-N 3.37Å
269N45Very low59.3Low174 Ų174115.6 Ų115.693%0.9359%0.586SS**  trans41.410.1144.941.6-21.1000122.8R271N269-R271 PolarHBondContact O-N 2.94Å
270A52.3Low61.2Low63 Ų63112.6 Ų112.652%0.52158%0.578SS.*  trans-79.8109.5165.700000109.7G268 F272G268-A270 PolarHBondContact O-N 3.37Å; A270-F272 HydrophobicContact CB-CE2 3.91Å; A270-F272 VanDerWaalsContact O-CD2 3.3Å; A270-F272 WeakPolarHBondContact O-CD2 3.47Å; A270-F272 PolarHBondContact O-N 3.05Å; A270-F272 VanDerWaalsContact O-N 3.14Å
271R44.5Very low63.4Low242 Ų242117.7 Ų117.791%0.91360%0.597SS**  trans-68.7105170.7-68.8-177.6-175169.21.3108.4N269 V273N269-R271 PolarHBondContact O-N 2.94Å; R271-V273 PolarHBondContact O-N 3.18Å
272F50Low65.7Low135 Ų135111.6 Ų111.659%0.59257%0.566SS**  trans-72.4121168.8-74.4-99.6000108.3P265 A270P265-F272 HydrophobicContact CB-CE2 4.45Å; P265-F272 HydrophobicContact CG-CD2 4.06Å; P265-F272 HydrophobicContact CG-CE2 3.05Å; P265-F272 HydrophobicContact CG-CZ 3.42Å; P265-F272 VanDerWaalsContact CG-CZ 3.42Å; A270-F272 HydrophobicContact CB-CE2 3.91Å; A270-F272 VanDerWaalsContact O-CD2 3.3Å; A270-F272 WeakPolarHBondContact O-CD2 3.47Å; A270-F272 PolarHBondContact O-N 3.05Å; A270-F272 VanDerWaalsContact O-N 3.14Å
273V61.3Low68.2Low119 Ų119108.7 Ų108.772%0.72156%0.557SS**  trans-92115165.8-174.50000106R271R271-V273 PolarHBondContact O-N 3.18Å
274A76.2Confident70.7Confident75 Ų75100.2 Ų100.262%0.6253%0.528SS*.  trans-60.9141.8177.700000110.5S276A274-S276 PolarHBondContact O-N 3Å; A274-S276 PolarHBondContact O-OG 2.88Å
275W86.8Confident73.6Confident37 Ų3795.2 Ų95.214%0.1451%0.505CS..  trans-57.1113.8173178-105.8000110.2E228 I231 Y252 V254 A260 Y277 N278E228-W275 HydrophobicContact CB-CE3 4.43Å; E228-W275 HydrophobicContact CB-CZ3 4.26Å; E228-W275 HydrophobicContact CG-CE3 4.29Å; E228-W275 HydrophobicContact CG-CZ3 4.03Å; I231-W275 HydrophobicContact CD1-CH2 3.92Å; I231-W275 HydrophobicContact CD1-CZ3 3.96Å; Y252-W275 HydrophobicContact CG-CH2 4.47Å; V254-W275 HydrophobicContact CB-CZ2 4.19Å; V254-W275 HydrophobicContact CG1-CH2 3.63Å; V254-W275 HydrophobicContact CG1-CZ2 3.72Å; V254-W275 HydrophobicContact CG1-CZ3 4.32Å; V254-W275 HydrophobicContact CG2-CD2 4.24Å; V254-W275 HydrophobicContact CG2-CH2 4.29Å; V254-W275 HydrophobicContact CG2-CZ2 3.65Å; A260-W275 HydrophobicContact CB-CB 3.53Å; A260-W275 HydrophobicContact CB-CG 3.9Å; W275-Y277 VanDerWaalsContact CD1-O 3.25Å; W275-Y277 HydrophobicContact CD2-CD2 4.44Å; W275-Y277 HydrophobicContact CE3-CD2 4.2Å; W275-Y277 AromaticContact CH2-CD2 3.92Å; W275-Y277 HydrophobicContact CH2-CD2 3.92Å; W275-Y277 HydrophobicContact CH2-CG 4.44Å; W275-Y277 HydrophobicContact CZ2-CD2 4.17Å; W275-Y277 HydrophobicContact CZ2-CG 4.34Å; W275-Y277 AromaticContact CZ3-CD2 3.93Å; W275-Y277 HydrophobicContact CZ3-CD2 3.93Å; W275-Y277 PolarHBondContact NE1-O 3.03Å; W275-N278 PolarHBondContact NE1-O 3.06Å
276S88.2Confident76Confident84 Ų8492.2 Ų92.259%0.58749%0.486SS*.  trans-102.26.5-169.2-59.50000113.2A274A274-S276 PolarHBondContact O-N 3Å; A274-S276 PolarHBondContact O-OG 2.88Å
277Y94.3Very high78.6Confident62 Ų6280.9 Ų80.924%0.24344%0.443CS..SBendtrans-118.7-176-175.4-52.3-84.2000112W251 Y252 W275W251-Y277 AromaticContact CD2-CD1 3.82Å; W251-Y277 HydrophobicContact CD2-CD1 3.82Å; W251-Y277 AromaticContact CE3-CD1 3.84Å; W251-Y277 HydrophobicContact CE3-CD1 3.84Å; W251-Y277 HydrophobicContact CE3-CE1 4.16Å; W251-Y277 HydrophobicContact CG-CD1 4.4Å; W251-Y277 HydrophobicContact CH2-CD1 4.29Å; W251-Y277 HydrophobicContact CZ2-CD1 4.26Å; W251-Y277 HydrophobicContact CZ3-CD1 4.08Å; W251-Y277 HydrophobicContact CZ3-CE1 4.39Å; Y252-Y277 AromaticContact CD2-CD1 3.98Å; Y252-Y277 HydrophobicContact CD2-CD1 3.98Å; Y252-Y277 AromaticContact CD2-CD2 3.88Å; Y252-Y277 HydrophobicContact CD2-CD2 3.88Å; Y252-Y277 AromaticContact CD2-CE1 3.68Å; Y252-Y277 HydrophobicContact CD2-CE1 3.68Å; Y252-Y277 AromaticContact CD2-CE2 3.57Å; Y252-Y277 HydrophobicContact CD2-CE2 3.57Å; Y252-Y277 HydrophobicContact CD2-CG 4.07Å; Y252-Y277 AromaticContact CD2-CZ 3.47Å; Y252-Y277 VanDerWaalsContact CD2-CZ 3.47Å; Y252-Y277 HydrophobicContact CE2-CE1 4.31Å; Y252-Y277 HydrophobicContact CE2-CE2 4.16Å; Y252-Y277 AromaticContact CE2-CZ 3.86Å; Y252-Y277 HydrophobicContact CG-CD2 4.43Å; Y252-Y277 HydrophobicContact CG-CE2 4.5Å; Y252-Y277 WeakPolarHBondContact O-CB 3.33Å; W275-Y277 VanDerWaalsContact CD1-O 3.25Å; W275-Y277 HydrophobicContact CD2-CD2 4.44Å; W275-Y277 HydrophobicContact CE3-CD2 4.2Å; W275-Y277 AromaticContact CH2-CD2 3.92Å; W275-Y277 HydrophobicContact CH2-CD2 3.92Å; W275-Y277 HydrophobicContact CH2-CG 4.44Å; W275-Y277 HydrophobicContact CZ2-CD2 4.17Å; W275-Y277 HydrophobicContact CZ2-CG 4.34Å; W275-Y277 AromaticContact CZ3-CD2 3.93Å; W275-Y277 HydrophobicContact CZ3-CD2 3.93Å; W275-Y277 PolarHBondContact NE1-O 3.03Å
278N94.7Very high81.5Confident39 Ų3978.8 Ų78.821%0.20943%0.431CS..EExtended strand (participates in β ladder)trans-68.8158-178.5-70.3119.8000113W251 Y252 T253 V254 W275 M286 H290W251-N278 PolarHBondContact NE1-OD1 3.37Å; Y252-N278 PolarHBondContact O-N 2.78Å; T253-N278 WeakPolarHBondContact CA-O 3.25Å; T253-N278 PolarHBondContact OG1-O 2.79Å; V254-N278 PolarHBondContact N-O 2.93Å; W275-N278 PolarHBondContact NE1-O 3.06Å; N278-M286 HydrophobicContact CB-CE 3.64Å; N278-M286 HydrophobicContact CB-CG 4.26Å; N278-M286 HydrophobicContact CB-SD 4.06Å; N278-H290 PolarHBondContact OD1-NE2 3.41Å
279T93.8Very high83.9Confident77 Ų7781.6 Ų81.647%0.47243%0.431SS..EExtended strand (participates in β ladder)trans-116.8139.6170.5-67.80000109.4V254 A257V254-T279 CarbonylContact O-C 3.54Å; V254-T279 WeakPolarHBondContact O-CA 3.47Å; A257-T279 HydrophobicContact CB-CG2 3.24Å; A257-T279 WeakPolarHBondContact CB-OG1 3.15Å
280G94.4Very high86.4Confident24 Ų2474.7 Ų74.725%0.24739%0.393CS..SBendtrans118.5-168.4176.700000113T253 V254T253-G280 PolarHBondContact OG1-O 2.86Å; T253-G280 VanDerWaalsContact OG1-O 3.08Å; V254-G280 PolarHBondContact O-N 3.49Å
281H95.5Very high88.6Confident135 Ų13572.1 Ų72.163%0.62537%0.37SS*.SBendtrans-81.8155.2170.3-61.4-49.2000110.3D255 N283 M286D255-H281 IonicContact OD2-CE1 3.81Å; H281-N283 PolarHBondContact O-N 2.86Å; H281-M286 WeakPolarHBondContact O-CE 3.1Å
282V97.6Very high91.2Very high7 Ų762 Ų624%0.04233%0.332CS..  trans-47.4134169.9175.60000109.5I192 L222 A224 T253 M287 T312I192-V282 HydrophobicContact CG2-CG1 4.44Å; I192-V282 HydrophobicContact CG2-CG2 4.27Å; L222-V282 HydrophobicContact CD2-CG1 3.83Å; L222-V282 HydrophobicContact CD2-CG2 4.17Å; L222-V282 HydrophobicContact CG-CG2 4.43Å; A224-V282 HydrophobicContact CB-CG2 3.71Å; T253-V282 HydrophobicContact CG2-CG2 4.22Å; V282-M287 HydrophobicContact CG1-CE 4.36Å; V282-M287 HydrophobicContact CG1-CG 4Å; V282-M287 HydrophobicContact CG1-SD 4.13Å; V282-T312 HydrophobicContact CB-CG2 4.21Å; V282-T312 HydrophobicContact CG1-CG2 4.38Å; V282-T312 WeakPolarHBondContact O-CG2 3.36Å
283N97Very high93.5Very high65 Ų6559.1 Ų59.135%0.34833%0.328SS..  trans-143.9174.2177.365.636.7000110.4H281 D285 M286 M287H281-N283 PolarHBondContact O-N 2.86Å; N283-D285 VanDerWaalsContact C-N 3.29Å; N283-D285 PolarHBondContact O-N 2.76Å; N283-D285 WeakPolarHBondContact OD1-CB 3.41Å; N283-D285 PolarHBondContact OD1-N 3.26Å; N283-D285 VanDerWaalsContact OD1-N 3.16Å; N283-M286 WeakPolarHBondContact ND2-CE 3.4Å; N283-M286 PolarHBondContact O-N 3.22Å; N283-M286 WeakPolarHBondContact OD1-CG 3.36Å; N283-M286 PolarHBondContact OD1-N 2.83Å; N283-M287 WeakPolarHBondContact O-CG 3.3Å; N283-M287 PolarHBondContact O-N 2.81Å
284D97.8Very high95.2Very high48 Ų4856.1 Ų56.126%0.25731%0.311SS..Hα-helixtrans-61.2-37.8-175.1-61.25.8000112.2M287 Q288 G316 R319D284-M287 PolarHBondContact O-N 2.6Å; D284-Q288 VanDerWaalsContact O-CB 3.3Å; D284-Q288 WeakPolarHBondContact O-CB 3.31Å; D284-Q288 PolarHBondContact O-N 3.12Å; D284-G316 VanDerWaalsContact OD1-CA 3.29Å; D284-G316 WeakPolarHBondContact OD1-CA 3.42Å; D284-R319 IonicContact OD1-CZ 3.9Å; D284-R319 IonicContact OD1-NE 2.85Å; D284-R319 IonicContact OD1-NH2 3.73Å; D284-R319 PolarHBondContact OD1-NH2 2.91Å; D284-R319 IonicContact OD2-CZ 2.77Å; D284-R319 VanDerWaalsContact OD2-CZ 3.31Å; D284-R319 IonicContact OD2-NE 3.77Å; D284-R319 PolarHBondContact OD2-NE 2.92Å; D284-R319 IonicContact OD2-NH2 3.63Å; D284-R319 PolarHBondContact OD2-NH2 3.45Å
285D98.2Very high96.2Very high77 Ų7753.7 Ų53.741%0.41229%0.293SS..Hα-helixtrans-64.1-47.8178.4-178.561.6000111.5N283 M287 Q288 Q289N283-D285 VanDerWaalsContact C-N 3.29Å; N283-D285 PolarHBondContact O-N 2.76Å; N283-D285 WeakPolarHBondContact OD1-CB 3.41Å; N283-D285 PolarHBondContact OD1-N 3.26Å; N283-D285 VanDerWaalsContact OD1-N 3.16Å; D285-M287 VanDerWaalsContact C-N 3.31Å; D285-M287 PolarHBondContact O-N 3.19Å; D285-Q288 PolarHBondContact O-N 3.42Å; D285-Q289 WeakPolarHBondContact O-CB 3.48Å; D285-Q289 VanDerWaalsContact O-CG 3.28Å; D285-Q289 WeakPolarHBondContact O-CG 3.43Å; D285-Q289 PolarHBondContact O-N 2.97Å; D285-Q289 PolarHBondContact OD1-NE2 2.87Å; D285-Q289 PolarHBondContact OD2-NE2 3.08Å
286M98.4Very high96.5Very high3 Ų359.8 Ų59.82%0.01532%0.323CS..Hα-helixtrans-59.5-42.6174.9-65.1176.6-166.300111.7L222 T253 N278 H281 N283 H290L222-M286 HydrophobicContact CD2-CB 4.07Å; T253-M286 HydrophobicContact CG2-SD 4.13Å; N278-M286 HydrophobicContact CB-CE 3.64Å; N278-M286 HydrophobicContact CB-CG 4.26Å; N278-M286 HydrophobicContact CB-SD 4.06Å; H281-M286 WeakPolarHBondContact O-CE 3.1Å; N283-M286 WeakPolarHBondContact ND2-CE 3.4Å; N283-M286 PolarHBondContact O-N 3.22Å; N283-M286 WeakPolarHBondContact OD1-CG 3.36Å; N283-M286 PolarHBondContact OD1-N 2.83Å; M286-H290 WeakPolarHBondContact O-CB 3.4Å; M286-H290 PolarHBondContact O-CD2 2.78Å; M286-H290 VanDerWaalsContact O-CD2 3.26Å; M286-H290 PolarHBondContact O-N 3.32Å
287M98.7Very high96.9Very high3 Ų357.6 Ų57.62%0.01530%0.304CS..Hα-helixtrans-65.1-44.7177.8-72.9-174.2-7300111.2I192 L222 V282 N283 D284 D285 Q289 L291 L317 L320I192-M287 HydrophobicContact CD1-CG 4.04Å; I192-M287 HydrophobicContact CD1-SD 3.63Å; L222-M287 HydrophobicContact CD2-CG 4.05Å; V282-M287 HydrophobicContact CG1-CE 4.36Å; V282-M287 HydrophobicContact CG1-CG 4Å; V282-M287 HydrophobicContact CG1-SD 4.13Å; N283-M287 WeakPolarHBondContact O-CG 3.3Å; N283-M287 PolarHBondContact O-N 2.81Å; D284-M287 PolarHBondContact O-N 2.6Å; D285-M287 VanDerWaalsContact C-N 3.31Å; D285-M287 PolarHBondContact O-N 3.19Å; M287-Q289 PolarHBondContact O-N 3.2Å; M287-L291 HydrophobicContact CB-CD1 3.94Å; M287-L291 HydrophobicContact CG-CD1 3.84Å; M287-L291 WeakPolarHBondContact O-CB 3.25Å; M287-L291 PolarHBondContact O-N 2.82Å; M287-L317 HydrophobicContact SD-CD2 4.06Å; M287-L317 HydrophobicContact SD-CG 3.94Å; M287-L320 HydrophobicContact CB-CD1 3.5Å
288Q98.3Very high97.1Very high138 Ų13854.7 Ų54.765%0.64529%0.293SS*.Hα-helixtrans-64-39.9179.1-172.9175.13100112.6D284 D285 L320D284-Q288 VanDerWaalsContact O-CB 3.3Å; D284-Q288 WeakPolarHBondContact O-CB 3.31Å; D284-Q288 PolarHBondContact O-N 3.12Å; D285-Q288 PolarHBondContact O-N 3.42Å; Q288-L320 HydrophobicContact CB-CD1 4.41Å; Q288-L320 HydrophobicContact CB-CD2 3.97Å; Q288-L320 HydrophobicContact CG-CD2 4.29Å
289Q98.2Very high97.3Very high107 Ų10752.9 Ų52.950%0.528%0.283SS..Hα-helixtrans-76.9-38.9-177.4-70.2179.318.100113D285 M287D285-Q289 WeakPolarHBondContact O-CB 3.48Å; D285-Q289 VanDerWaalsContact O-CG 3.28Å; D285-Q289 WeakPolarHBondContact O-CG 3.43Å; D285-Q289 PolarHBondContact O-N 2.97Å; D285-Q289 PolarHBondContact OD1-NE2 2.87Å; D285-Q289 PolarHBondContact OD2-NE2 3.08Å; M287-Q289 PolarHBondContact O-N 3.2Å
290H98.3Very high97.5Very high29 Ų2949.2 Ų49.213%0.13426%0.261CS..Hα-helixtrans-107.9-18.9-167.1-58.5-60.3000114.6K249 W251 N278 M286K249-H290 WeakPolarHBondContact CE-O 3.27Å; K249-H290 PolarHBondContact NZ-O 3.41Å; W251-H290 HydrophobicContact CB-CB 3.89Å; W251-H290 AromaticContact CD1-CD2 3.3Å; W251-H290 AromaticContact CD1-CE1 3.94Å; W251-H290 AromaticContact CD1-CG 3.63Å; W251-H290 AromaticContact CD1-NE2 3.53Å; W251-H290 AromaticContact CD2-CD2 3.95Å; W251-H290 AromaticContact CD2-CE1 3.28Å; W251-H290 AromaticContact CD2-CG 3.78Å; W251-H290 AromaticContact CD2-ND1 3.35Å; W251-H290 AromaticContact CD2-NE2 3.66Å; W251-H290 AromaticContact CE2-CD2 3.83Å; W251-H290 AromaticContact CE2-CE1 3.14Å; W251-H290 AromaticContact CE2-ND1 3.73Å; W251-H290 AromaticContact CE2-NE2 3.19Å; W251-H290 AromaticContact CE3-CE1 3.67Å; W251-H290 AromaticContact CE3-ND1 3.64Å; W251-H290 HydrophobicContact CG-CB 4.09Å; W251-H290 AromaticContact CG-CD2 3.63Å; W251-H290 AromaticContact CG-CE1 3.8Å; W251-H290 AromaticContact CG-CG 3.45Å; W251-H290 VanDerWaalsContact CG-CG 3.45Å; W251-H290 AromaticContact CG-ND1 3.56Å; W251-H290 AromaticContact CG-NE2 3.85Å; W251-H290 AromaticContact CH2-CE1 3.77Å; W251-H290 AromaticContact CZ2-CE1 3.39Å; W251-H290 WeakPolarHBondContact CZ2-CE1 3.43Å; W251-H290 AromaticContact CZ2-NE2 3.63Å; W251-H290 AromaticContact CZ3-CE1 3.9Å; W251-H290 AromaticContact NE1-CD2 3.4Å; W251-H290 PolarHBondContact NE1-CD2 3.15Å; W251-H290 AromaticContact NE1-CE1 3.54Å; W251-H290 AromaticContact NE1-CG 3.99Å; W251-H290 AromaticContact NE1-NE2 3.08Å; W251-H290 PolarHBondContact NE1-NE2 3.28Å; N278-H290 PolarHBondContact OD1-NE2 3.41Å; M286-H290 WeakPolarHBondContact O-CB 3.4Å; M286-H290 PolarHBondContact O-CD2 2.78Å; M286-H290 VanDerWaalsContact O-CD2 3.26Å; M286-H290 PolarHBondContact O-N 3.32Å
291L98.7Very high97.7Very high8 Ų848 Ų484%0.04225%0.249CC..SBendtrans-95.1165.3176.2-55.5180000111.5N190 I192 A220 L222 M287 L317N190-L291 HydrophobicContact CB-CB 4.32Å; N190-L291 HydrophobicContact CB-CD1 4.32Å; N190-L291 HydrophobicContact CB-CD2 4.15Å; I192-L291 HydrophobicContact CD1-CD1 3.68Å; I192-L291 HydrophobicContact CG1-CD1 3.86Å; A220-L291 HydrophobicContact CB-CD2 4.14Å; L222-L291 HydrophobicContact CB-CD2 4.02Å; M287-L291 HydrophobicContact CB-CD1 3.94Å; M287-L291 HydrophobicContact CG-CD1 3.84Å; M287-L291 WeakPolarHBondContact O-CB 3.25Å; M287-L291 PolarHBondContact O-N 2.82Å; L291-L317 HydrophobicContact CD1-CD2 4.3Å
292Y98.6Very high97.9Very high29 Ų2941.7 Ų41.711%0.11422%0.22CC..PPolyproline II helixtrans-73.2145.3170.4-64.4-70.2000110.8R188 N190 E218 A220 H322R188-Y292 HydrophobicContact CB-CD2 3.72Å; R188-Y292 HydrophobicContact CB-CE2 4.24Å; R188-Y292 HydrophobicContact CB-CG 3.88Å; R188-Y292 HydrophobicContact CG-CD1 4.1Å; R188-Y292 HydrophobicContact CG-CD2 4.08Å; R188-Y292 HydrophobicContact CG-CE1 4.3Å; R188-Y292 HydrophobicContact CG-CE2 4.3Å; R188-Y292 HydrophobicContact CG-CG 3.98Å; N190-Y292 PolarHBondContact ND2-O 2.94Å; N190-Y292 WeakPolarHBondContact OD1-CB 3.49Å; N190-Y292 VanDerWaalsContact OD1-CD2 3.29Å; N190-Y292 WeakPolarHBondContact OD1-CD2 3.35Å; N190-Y292 PolarHBondContact OD1-N 3.14Å; E218-Y292 HydrophobicContact CB-CE2 4.11Å; E218-Y292 WeakPolarHBondContact CB-OH 3.45Å; E218-Y292 WeakPolarHBondContact OE2-CE1 3.42Å; E218-Y292 PolarHBondContact OE2-OH 3.33Å; A220-Y292 HydrophobicContact CB-CD2 3.7Å; A220-Y292 HydrophobicContact CB-CE2 3.57Å; Y292-H322 PolarHBondContact O-CE1 3.47Å; Y292-H322 VanDerWaalsContact O-CE1 3.23Å
293P98.1Very high97.9Very high76 Ų7642.6 Ų42.649%0.49423%0.226SC..PPolyproline II helixtrans-63.9161.7178.628.3-36.1000111.8T298P293-T298 PolarHBondContact O-OG1 3.01Å
294P97.7Very high97.9Very high56 Ų5640.7 Ų40.736%0.36422%0.222SC..PPolyproline II helixtrans-59.5145.2171.431.5-40.8000110.8L320 G321P294-L320 WeakPolarHBondContact CD-O 3.36Å; P294-L320 VanDerWaalsContact CG-O 3.26Å; P294-L320 WeakPolarHBondContact CG-O 3.37Å; P294-G321 VanDerWaalsContact CB-O 3.3Å; P294-G321 WeakPolarHBondContact CB-O 3.34Å
295G96.2Very high97.7Very high24 Ų2441.6 Ų41.625%0.24723%0.231CC..  trans-178.5162.1-179.600000109.4D297 T298 Q326G295-D297 PolarHBondContact O-N 3.19Å; G295-D297 VanDerWaalsContact O-N 3.12Å; G295-T298 PolarHBondContact O-N 3.42Å; G295-T298 VanDerWaalsContact O-N 3.16Å; G295-Q326 PolarHBondContact O-NE2 3.3Å; G295-Q326 PolarHBondContact O-OE1 3.01Å
296E94.7Very high97.6Very high165 Ų16542 Ų4277%0.77124%0.237SC*.THydrogen-bonded Turntrans-59.7-26.1-176.6-62.7-166.5150.600113.5Q326E296-Q326 VanDerWaalsContact C-NE2 3.25Å; E296-Q326 VanDerWaalsContact CA-NE2 3.33Å; E296-Q326 PolarHBondContact O-NE2 3.4Å
297D95.8Very high97.5Very high37 Ų3745.5 Ų45.520%0.19826%0.26CS..THydrogen-bonded Turntrans-105.814.9-17864.9-2.2000114.4A186 K187 R188 G295A186-D297 CarbonylContact C-O 3.5Å; A186-D297 VanDerWaalsContact CA-O 3.23Å; A186-D297 WeakPolarHBondContact CA-O 3.32Å; A186-D297 WeakPolarHBondContact CB-O 3.17Å; K187-D297 HydrophobicContact CB-CB 4.15Å; K187-D297 VanDerWaalsContact CD-OD2 3.25Å; K187-D297 WeakPolarHBondContact CD-OD2 3.24Å; K187-D297 HydrophobicContact CG-CB 4.04Å; K187-D297 PolarHBondContact N-O 2.87Å; K187-D297 IonicContact NZ-OD2 3.71Å; R188-D297 IonicContact CZ-OD1 3.67Å; R188-D297 PolarHBondContact N-O 2.88Å; R188-D297 VanDerWaalsContact N-O 3.09Å; R188-D297 IonicContact NE-OD1 3.69Å; R188-D297 IonicContact NH2-OD1 2.81Å; R188-D297 PolarHBondContact NH2-OD1 3.24Å; G295-D297 PolarHBondContact O-N 3.19Å; G295-D297 VanDerWaalsContact O-N 3.12Å
298T98.4Very high97.4Very high1 Ų146.7 Ų46.71%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-105.6119.8175.3-56.30000110.8R188 P293 G295R188-T298 HydrophobicContact CB-CG2 4.45Å; R188-T298 CarbonylContact O-C 3.42Å; R188-T298 WeakPolarHBondContact O-CA 3.39Å; P293-T298 PolarHBondContact O-OG1 3.01Å; G295-T298 PolarHBondContact O-N 3.42Å; G295-T298 VanDerWaalsContact O-N 3.16Å
299L98.6Very high97.4Very high1 Ų140.6 Ų40.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-105.2139.3173.3-179.767.9000110.4F171 I173 V184 A186 R188 V189 N190 L301F171-L299 HydrophobicContact CB-CD2 4.44Å; F171-L299 HydrophobicContact CD1-CD2 4.04Å; F171-L299 HydrophobicContact CD2-CD2 3.53Å; F171-L299 HydrophobicContact CE1-CD2 4.15Å; F171-L299 HydrophobicContact CE2-CD2 3.68Å; F171-L299 HydrophobicContact CG-CD2 3.74Å; F171-L299 HydrophobicContact CZ-CD2 3.98Å; I173-L299 HydrophobicContact CD1-CD1 4.25Å; I173-L299 HydrophobicContact CD1-CD2 4.34Å; V184-L299 HydrophobicContact CG1-CD1 4.49Å; A186-L299 HydrophobicContact CB-CB 3.66Å; R188-L299 PolarHBondContact O-N 3.46Å; V189-L299 CarbonylContact C-O 3.56Å; V189-L299 VanDerWaalsContact CA-O 3.3Å; V189-L299 WeakPolarHBondContact CA-O 3.44Å; N190-L299 PolarHBondContact N-O 3.43Å; L299-L301 HydrophobicContact CD2-CD2 3.81Å; L299-L301 HydrophobicContact CD2-CG 4.41Å; L299-L301 HydrophobicContact CG-CD2 3.93Å; L299-L301 HydrophobicContact CG-CG 4.43Å
300C98.8Very high97.4Very high0 Ų039.4 Ų39.40%024%0.235CC..EExtended strand (participates in β ladder)trans-113.1124.9175.7-61.20000111N190 L317 H322 Q326 R327 F328N190-C300 HydrophobicContact CB-CB 4.35Å; N190-C300 CarbonylContact O-C 3.54Å; N190-C300 WeakPolarHBondContact O-CA 3.47Å; C300-L317 HydrophobicContact CB-CD1 3.96Å; C300-H322 PolarHBondContact SG-ND1 3.42Å; C300-Q326 PolarHBondContact N-O 2.83Å; C300-R327 HydrophobicContact CB-CG 4.06Å; C300-R327 CarbonylContact O-C 3.51Å; C300-R327 WeakPolarHBondContact O-CA 3.29Å; C300-F328 PolarHBondContact O-N 3.05Å
301L98.8Very high97.4Very high0 Ų046.7 Ų46.70%026%0.263CS..EExtended strand (participates in β ladder)trans-113.5129.3179.7-57.3-175.8000110.1L163 F171 V189 N190 M191 I192 M201 L204 L299 F328 Y330L163-L301 HydrophobicContact CD1-CD2 3.56Å; F171-L301 HydrophobicContact CE1-CD1 4.28Å; V189-L301 HydrophobicContact CG1-CD1 3.64Å; V189-L301 HydrophobicContact CG1-CG 3.8Å; N190-L301 PolarHBondContact O-N 3.5Å; M191-L301 CarbonylContact C-O 3.59Å; M191-L301 WeakPolarHBondContact CA-O 3.5Å; M191-L301 HydrophobicContact CG-CB 4.34Å; I192-L301 PolarHBondContact N-O 2.86Å; M201-L301 HydrophobicContact CE-CB 4.06Å; M201-L301 HydrophobicContact SD-CB 4.06Å; L204-L301 HydrophobicContact CD2-CD1 3.35Å; L299-L301 HydrophobicContact CD2-CD2 3.81Å; L299-L301 HydrophobicContact CD2-CG 4.41Å; L299-L301 HydrophobicContact CG-CD2 3.93Å; L299-L301 HydrophobicContact CG-CG 4.43Å; L301-F328 CarbonylContact C-O 3.54Å; L301-F328 WeakPolarHBondContact CA-O 3.29Å; L301-F328 HydrophobicContact CD2-CB 3.85Å; L301-F328 HydrophobicContact CD2-CD1 4.34Å; L301-Y330 HydrophobicContact CB-CE2 4.12Å; L301-Y330 HydrophobicContact CD1-CE2 4.43Å
302L98.7Very high97.4Very high1 Ų148.3 Ų48.31%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-123.8131.5-174.1-52.4177.7000110.3I192 V309 C313 I314 L317 F328 S329 Y330I192-L302 HydrophobicContact CB-CD2 3.65Å; I192-L302 HydrophobicContact CD1-CD2 3.71Å; I192-L302 HydrophobicContact CG1-CD2 3.75Å; I192-L302 WeakPolarHBondContact O-CA 3.36Å; L302-V309 HydrophobicContact CB-CG1 4.21Å; L302-V309 HydrophobicContact CD1-CG1 4.21Å; L302-C313 HydrophobicContact CD1-CB 4.08Å; L302-C313 HydrophobicContact CD2-CB 4Å; L302-I314 HydrophobicContact CD1-CD1 4.41Å; L302-I314 HydrophobicContact CD1-CG1 3.6Å; L302-L317 HydrophobicContact CD1-CD1 4.21Å; L302-L317 HydrophobicContact CD2-CD1 3.88Å; L302-L317 HydrophobicContact CG-CD1 4.49Å; L302-F328 PolarHBondContact N-O 3.35Å; L302-S329 WeakPolarHBondContact O-CA 3.49Å; L302-Y330 PolarHBondContact O-N 3.23Å
303C98.1Very high97.4Very high27 Ų2747 Ų4718%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-149.5126.7169.4-167.80000111I192 A193 G194 G197 P200 M201 Y330I192-C303 PolarHBondContact O-N 3.46Å; A193-C303 CarbonylContact C-O 3.58Å; A193-C303 VanDerWaalsContact CA-O 3.26Å; A193-C303 WeakPolarHBondContact CA-O 3.32Å; G194-C303 PolarHBondContact N-O 2.87Å; G197-C303 VanDerWaalsContact CA-SG 3.57Å; G197-C303 WeakPolarHBondContact O-CB 3.36Å; P200-C303 HydrophobicContact CG-CB 3.92Å; M201-C303 HydrophobicContact CE-CB 3.57Å; C303-Y330 HydrophobicContact CB-CD2 4.02Å; C303-Y330 HydrophobicContact CB-CG 4.43Å
304G96.8Very high97.4Very high25 Ų2545.4 Ų45.426%0.25826%0.255SS..SBendtrans166.1-167.9179.300000111.7
305P94.7Very high97.4Very high67 Ų6744.4 Ų44.444%0.43525%0.249SC..  trans-56.1138.2179.1-25.735.2000111.7P307 M308 V309P305-P307 VanDerWaalsContact C-CD 3.4Å; P305-P307 VanDerWaalsContact C-N 3.29Å; P305-P307 VanDerWaalsContact O-N 3.14Å; P305-M308 WeakPolarHBondContact O-CB 3.43Å; P305-M308 PolarHBondContact O-N 2.71Å; P305-V309 PolarHBondContact O-N 2.86Å; P305-V309 VanDerWaalsContact O-N 3.11Å
306P96.1Very high97.5Very high85 Ų8543.3 Ų43.355%0.55224%0.237SC*.Hα-helixtrans-52-37.9-179.1-26.933.2000114.8M308 V309 N310P306-M308 VanDerWaalsContact C-N 3.34Å; P306-M308 PolarHBondContact O-N 3.28Å; P306-V309 PolarHBondContact O-N 2.72Å; P306-N310 VanDerWaalsContact O-CB 3.3Å; P306-N310 WeakPolarHBondContact O-CB 3.28Å; P306-N310 PolarHBondContact O-N 2.85Å; P306-N310 PolarHBondContact O-ND2 3.26Å
307P95.6Very high97.7Very high77 Ų7735.5 Ų35.550%0.520%0.2SC..Hα-helixtrans-60.9-41.1175.7-25.936.2000113.7P305 Y311P305-P307 VanDerWaalsContact C-CD 3.4Å; P305-P307 VanDerWaalsContact C-N 3.29Å; P305-P307 VanDerWaalsContact O-N 3.14Å; P307-Y311 HydrophobicContact CB-CD2 4.2Å; P307-Y311 WeakPolarHBondContact O-CB 3.31Å; P307-Y311 PolarHBondContact O-N 2.73Å; P307-Y311 VanDerWaalsContact O-N 3.09Å
308M97.2Very high97.8Very high27 Ų2739.6 Ų39.613%0.13322%0.218CC..Hα-helixtrans-65-48.2177.1-175-164.382.500110.5A224 P305 P306 T312 C313A224-M308 HydrophobicContact CB-SD 4.36Å; P305-M308 WeakPolarHBondContact O-CB 3.43Å; P305-M308 PolarHBondContact O-N 2.71Å; P306-M308 VanDerWaalsContact C-N 3.34Å; P306-M308 PolarHBondContact O-N 3.28Å; M308-T312 VanDerWaalsContact O-CB 3.26Å; M308-T312 WeakPolarHBondContact O-CB 3.35Å; M308-T312 PolarHBondContact O-N 3.38Å; M308-C313 PolarHBondContact O-N 2.9Å; M308-C313 PolarHBondContact O-SG 2.96Å; M308-C313 VanDerWaalsContact O-SG 3.36Å
309V98.2Very high97.8Very high10 Ų1047 Ų476%0.06125%0.246CC..Iπ-helixtrans-66.3-52.2-177.1177.20000111.2L302 P305 P306 I314 S329L302-V309 HydrophobicContact CB-CG1 4.21Å; L302-V309 HydrophobicContact CD1-CG1 4.21Å; P305-V309 PolarHBondContact O-N 2.86Å; P305-V309 VanDerWaalsContact O-N 3.11Å; P306-V309 PolarHBondContact O-N 2.72Å; V309-I314 HydrophobicContact CG1-CD1 4.01Å; V309-I314 HydrophobicContact CG1-CG1 4.41Å; V309-I314 WeakPolarHBondContact O-CG1 3.46Å; V309-I314 PolarHBondContact O-N 3.36Å; V309-S329 WeakPolarHBondContact CG1-OG 3.22Å
310N98Very high97.8Very high82 Ų8248.8 Ų48.844%0.43926%0.256SS..Iπ-helixtrans-84.1-32.7-167-63.9-25.2000113.9P306 P315P306-N310 VanDerWaalsContact O-CB 3.3Å; P306-N310 WeakPolarHBondContact O-CB 3.28Å; P306-N310 PolarHBondContact O-N 2.85Å; P306-N310 PolarHBondContact O-ND2 3.26Å; N310-P315 WeakPolarHBondContact O-CD 3.31Å; N310-P315 WeakPolarHBondContact O-CG 3.45Å
311Y97.6Very high97.7Very high182 Ų18250.8 Ų50.871%0.71428%0.277SS*.Iπ-helixtrans-106.3-12.6-174.6-53.3-54.8000113.5P307P307-Y311 HydrophobicContact CB-CD2 4.2Å; P307-Y311 WeakPolarHBondContact O-CB 3.31Å; P307-Y311 PolarHBondContact O-N 2.73Å; P307-Y311 VanDerWaalsContact O-N 3.09Å
312T97.9Very high97.7Very high43 Ų4351.1 Ų51.126%0.26428%0.278SS..Iπ-helixtrans-119.1-64.7-178.4-53.10000111.5V282 M308 G316V282-T312 HydrophobicContact CB-CG2 4.21Å; V282-T312 HydrophobicContact CG1-CG2 4.38Å; V282-T312 WeakPolarHBondContact O-CG2 3.36Å; M308-T312 VanDerWaalsContact O-CB 3.26Å; M308-T312 WeakPolarHBondContact O-CB 3.35Å; M308-T312 PolarHBondContact O-N 3.38Å; T312-G316 PolarHBondContact O-N 2.94Å
313C98.5Very high97.6Very high0 Ų056.2 Ų56.20%030%0.297CS..Iπ-helixtrans-67.2-51.8-172.2-60.90000112.7I192 L302 M308 G316 L317I192-C313 HydrophobicContact CD1-CB 4.28Å; L302-C313 HydrophobicContact CD1-CB 4.08Å; L302-C313 HydrophobicContact CD2-CB 4Å; M308-C313 PolarHBondContact O-N 2.9Å; M308-C313 PolarHBondContact O-SG 2.96Å; M308-C313 VanDerWaalsContact O-SG 3.36Å; C313-G316 PolarHBondContact O-N 3.47Å; C313-L317 VanDerWaalsContact O-CB 3.27Å; C313-L317 WeakPolarHBondContact O-CB 3.26Å; C313-L317 VanDerWaalsContact O-CG 3.25Å; C313-L317 WeakPolarHBondContact O-CG 3.24Å; C313-L317 PolarHBondContact O-N 2.85Å
314I98.4Very high97.4Very high44 Ų4457.9 Ų57.923%0.22631%0.313CS..Hα-helixtrans-61.1-51.2-178.7-70.6171000111.4L302 V309 G316 L317 E318L302-I314 HydrophobicContact CD1-CD1 4.41Å; L302-I314 HydrophobicContact CD1-CG1 3.6Å; V309-I314 HydrophobicContact CG1-CD1 4.01Å; V309-I314 HydrophobicContact CG1-CG1 4.41Å; V309-I314 WeakPolarHBondContact O-CG1 3.46Å; V309-I314 PolarHBondContact O-N 3.36Å; I314-G316 PolarHBondContact O-N 3.47Å; I314-L317 PolarHBondContact O-N 2.93Å; I314-E318 PolarHBondContact O-N 3.29Å
315P98.3Very high97.3Very high35 Ų3562.9 Ų62.923%0.22733%0.33CS..Hα-helixtrans-63.9-37.9178.4-25.236.5000113.7N310 E318 R319N310-P315 WeakPolarHBondContact O-CD 3.31Å; N310-P315 WeakPolarHBondContact O-CG 3.45Å; P315-E318 WeakPolarHBondContact O-CB 3.26Å; P315-E318 PolarHBondContact O-N 3.04Å; P315-R319 PolarHBondContact O-N 3.48Å; P315-R319 PolarHBondContact O-NH1 3.48Å
316G98.5Very high97.2Very high0 Ų060.2 Ų60.20%031%0.312CS..Hα-helixtrans-69.7-42.1178.600000112.8D284 T312 C313 I314 E318 R319 L320D284-G316 VanDerWaalsContact OD1-CA 3.29Å; D284-G316 WeakPolarHBondContact OD1-CA 3.42Å; T312-G316 PolarHBondContact O-N 2.94Å; C313-G316 PolarHBondContact O-N 3.47Å; I314-G316 PolarHBondContact O-N 3.47Å; G316-E318 PolarHBondContact O-N 3.46Å; G316-R319 VanDerWaalsContact CA-NH2 3.28Å; G316-R319 PolarHBondContact O-N 3.37Å; G316-L320 WeakPolarHBondContact O-CG 3.44Å; G316-L320 PolarHBondContact O-N 3.36Å
317L98.6Very high97.3Very high1 Ų158.3 Ų58.31%0.00529%0.294CS..Hα-helixtrans-60.3-34.9171.7-75.1175.1000112.1I192 M287 L291 C300 L302 C313 I314 L320 G321 H322I192-L317 HydrophobicContact CD1-CD1 4.16Å; I192-L317 HydrophobicContact CD1-CD2 4.42Å; I192-L317 HydrophobicContact CD1-CG 4.37Å; M287-L317 HydrophobicContact SD-CD2 4.06Å; M287-L317 HydrophobicContact SD-CG 3.94Å; L291-L317 HydrophobicContact CD1-CD2 4.3Å; C300-L317 HydrophobicContact CB-CD1 3.96Å; L302-L317 HydrophobicContact CD1-CD1 4.21Å; L302-L317 HydrophobicContact CD2-CD1 3.88Å; L302-L317 HydrophobicContact CG-CD1 4.49Å; C313-L317 VanDerWaalsContact O-CB 3.27Å; C313-L317 WeakPolarHBondContact O-CB 3.26Å; C313-L317 VanDerWaalsContact O-CG 3.25Å; C313-L317 WeakPolarHBondContact O-CG 3.24Å; C313-L317 PolarHBondContact O-N 2.85Å; I314-L317 PolarHBondContact O-N 2.93Å; L317-L320 CarbonylContact O-C 3.51Å; L317-L320 PolarHBondContact O-N 3.08Å; L317-G321 PolarHBondContact O-N 3.37Å; L317-H322 HydrophobicContact CB-CB 4.09Å; L317-H322 HydrophobicContact CD2-CB 4.44Å; L317-H322 VanDerWaalsContact CD2-CD2 3.47Å; L317-H322 WeakPolarHBondContact CD2-CD2 3.46Å; L317-H322 WeakPolarHBondContact O-CB 3.32Å; L317-H322 PolarHBondContact O-N 3.02Å
318E98Very high97.4Very high123 Ų12355 Ų5558%0.57527%0.271SS*.Hα-helixtrans-65.4-47174.2-167.7168.8166.100112.5I314 P315 G316 L320 G321 R327I314-E318 PolarHBondContact O-N 3.29Å; P315-E318 WeakPolarHBondContact O-CB 3.26Å; P315-E318 PolarHBondContact O-N 3.04Å; G316-E318 PolarHBondContact O-N 3.46Å; E318-L320 PolarHBondContact O-N 3Å; E318-G321 PolarHBondContact O-N 3.37Å; E318-R327 VanDerWaalsContact CA-NH1 3.27Å; E318-R327 VanDerWaalsContact CB-NH1 3.34Å; E318-R327 IonicContact OE2-NH2 3.62Å
319R98.4Very high97.3Very high156 Ų15655.4 Ų55.459%0.58928%0.276SS*.Hα-helixtrans-60.5-33.6175-72.9-173.8-63.8-84.71.3112.4D284 P315 G316 G321D284-R319 IonicContact OD1-CZ 3.9Å; D284-R319 IonicContact OD1-NE 2.85Å; D284-R319 IonicContact OD1-NH2 3.73Å; D284-R319 PolarHBondContact OD1-NH2 2.91Å; D284-R319 IonicContact OD2-CZ 2.77Å; D284-R319 VanDerWaalsContact OD2-CZ 3.31Å; D284-R319 IonicContact OD2-NE 3.77Å; D284-R319 PolarHBondContact OD2-NE 2.92Å; D284-R319 IonicContact OD2-NH2 3.63Å; D284-R319 PolarHBondContact OD2-NH2 3.45Å; P315-R319 PolarHBondContact O-N 3.48Å; P315-R319 PolarHBondContact O-NH1 3.48Å; G316-R319 VanDerWaalsContact CA-NH2 3.28Å; G316-R319 PolarHBondContact O-N 3.37Å; R319-G321 VanDerWaalsContact C-N 3.25Å; R319-G321 PolarHBondContact O-N 3.32Å
320L98.2Very high97.1Very high39 Ų3958.2 Ų58.220%0.20429%0.287CS..THydrogen-bonded Turntrans-79.6-0.8174.7-65.8174.5000113.8M287 Q288 P294 G316 L317 E318M287-L320 HydrophobicContact CB-CD1 3.5Å; Q288-L320 HydrophobicContact CB-CD1 4.41Å; Q288-L320 HydrophobicContact CB-CD2 3.97Å; Q288-L320 HydrophobicContact CG-CD2 4.29Å; P294-L320 WeakPolarHBondContact CD-O 3.36Å; P294-L320 VanDerWaalsContact CG-O 3.26Å; P294-L320 WeakPolarHBondContact CG-O 3.37Å; G316-L320 WeakPolarHBondContact O-CG 3.44Å; G316-L320 PolarHBondContact O-N 3.36Å; L317-L320 CarbonylContact O-C 3.51Å; L317-L320 PolarHBondContact O-N 3.08Å; E318-L320 PolarHBondContact O-N 3Å
321G98.2Very high97.1Very high43 Ų4357.1 Ų57.144%0.44328%0.279SS..THydrogen-bonded Turntrans90.28173.500000116P294 L317 E318 R319 R323P294-G321 VanDerWaalsContact CB-O 3.3Å; P294-G321 WeakPolarHBondContact CB-O 3.34Å; L317-G321 PolarHBondContact O-N 3.37Å; E318-G321 PolarHBondContact O-N 3.37Å; R319-G321 VanDerWaalsContact C-N 3.25Å; R319-G321 PolarHBondContact O-N 3.32Å; G321-R323 PolarHBondContact O-N 2.92Å
322H98.2Very high97Very high7 Ų750.5 Ų50.53%0.03226%0.256CS..  trans-74.3117.9174-66.7-87000110.6N190 Y292 C300 L317 R327N190-H322 PolarHBondContact ND2-CE1 2.95Å; Y292-H322 PolarHBondContact O-CE1 3.47Å; Y292-H322 VanDerWaalsContact O-CE1 3.23Å; C300-H322 PolarHBondContact SG-ND1 3.42Å; L317-H322 HydrophobicContact CB-CB 4.09Å; L317-H322 HydrophobicContact CD2-CB 4.44Å; L317-H322 VanDerWaalsContact CD2-CD2 3.47Å; L317-H322 WeakPolarHBondContact CD2-CD2 3.46Å; L317-H322 WeakPolarHBondContact O-CB 3.32Å; L317-H322 PolarHBondContact O-N 3.02Å; H322-R327 PolarHBondContact O-NH1 3.37Å
323R95.9Very high97Very high107 Ų10750.9 Ų50.940%0.40426%0.256SS..  trans-68.2152.4-175.4-60.1-178.7-67.9-172.23.3112.9G321 E325 Q326 R327G321-R323 PolarHBondContact O-N 2.92Å; R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 WeakPolarHBondContact CB-OE2 3.23Å; R323-E325 IonicContact NE-OE2 2.71Å; R323-E325 PolarHBondContact O-N 3.46Å; R323-Q326 VanDerWaalsContact NH2-CD 3.35Å; R323-Q326 PolarHBondContact O-N 3.03Å; R323-R327 WeakPolarHBondContact O-CG 3.46Å
324A94.8Very high96.9Very high63 Ų6353.9 Ų53.952%0.52127%0.271SS..G310 helixtrans-59.6-35.6-179.700000112.8Q326 R327A324-Q326 PolarHBondContact O-N 3.39Å; A324-R327 PolarHBondContact O-N 3.03Å
325E93.3Very high96.8Very high129 Ų12954.5 Ų54.560%0.60327%0.274SS*.G310 helixtrans-68.9-18.6178.6-3479.2-114.900113.5R323R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 WeakPolarHBondContact CB-OE2 3.23Å; R323-E325 IonicContact NE-OE2 2.71Å; R323-E325 PolarHBondContact O-N 3.46Å
326Q94.4Very high96.7Very high12 Ų1255.8 Ų55.86%0.05628%0.277CS..G310 helixtrans-102.916.9-179.2-66.6176.6-5400112.1G295 E296 C300 R323 A324G295-Q326 PolarHBondContact O-NE2 3.3Å; G295-Q326 PolarHBondContact O-OE1 3.01Å; E296-Q326 VanDerWaalsContact C-NE2 3.25Å; E296-Q326 VanDerWaalsContact CA-NE2 3.33Å; E296-Q326 PolarHBondContact O-NE2 3.4Å; C300-Q326 PolarHBondContact N-O 2.83Å; R323-Q326 VanDerWaalsContact NH2-CD 3.35Å; R323-Q326 PolarHBondContact O-N 3.03Å; A324-Q326 PolarHBondContact O-N 3.39Å
327R96.5Very high96.6Very high45 Ų4559.8 Ų59.817%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-123134.6177.6-63.5-179.6-57.2-153.414.3109.6C300 E318 H322 R323 A324C300-R327 HydrophobicContact CB-CG 4.06Å; C300-R327 CarbonylContact O-C 3.51Å; C300-R327 WeakPolarHBondContact O-CA 3.29Å; E318-R327 VanDerWaalsContact CA-NH1 3.27Å; E318-R327 VanDerWaalsContact CB-NH1 3.34Å; E318-R327 IonicContact OE2-NH2 3.62Å; H322-R327 PolarHBondContact O-NH1 3.37Å; R323-R327 WeakPolarHBondContact O-CG 3.46Å; A324-R327 PolarHBondContact O-N 3.03Å
328F97.4Very high96.4Very high8 Ų864.3 Ų64.34%0.03532%0.319CS..EExtended strand (participates in β ladder)trans-133.5126173.3-178-91.2000109.9R162 L163 I173 C300 L301 L302 Y330R162-F328 HydrophobicContact CB-CE2 3.74Å; R162-F328 HydrophobicContact CB-CZ 3.85Å; R162-F328 VanDerWaalsContact NH1-CE2 3.27Å; L163-F328 HydrophobicContact CB-CD1 4.06Å; L163-F328 HydrophobicContact CB-CD2 4.41Å; L163-F328 HydrophobicContact CB-CE1 3.56Å; L163-F328 HydrophobicContact CB-CE2 3.95Å; L163-F328 HydrophobicContact CB-CG 4.45Å; L163-F328 HydrophobicContact CB-CZ 3.51Å; L163-F328 HydrophobicContact CD1-CB 4.2Å; L163-F328 HydrophobicContact CD1-CD1 3.54Å; L163-F328 HydrophobicContact CD1-CD2 4.36Å; L163-F328 HydrophobicContact CD1-CE1 3.93Å; L163-F328 HydrophobicContact CD1-CG 3.78Å; L163-F328 HydrophobicContact CG-CD1 4.45Å; L163-F328 HydrophobicContact CG-CE1 4.38Å; I173-F328 HydrophobicContact CG2-CD2 3.65Å; I173-F328 HydrophobicContact CG2-CE2 3.98Å; C300-F328 PolarHBondContact O-N 3.05Å; L301-F328 CarbonylContact C-O 3.54Å; L301-F328 WeakPolarHBondContact CA-O 3.29Å; L301-F328 HydrophobicContact CD2-CB 3.85Å; L301-F328 HydrophobicContact CD2-CD1 4.34Å; L302-F328 PolarHBondContact N-O 3.35Å; F328-Y330 HydrophobicContact CD1-CD2 4.29Å; F328-Y330 HydrophobicContact CD1-CE2 4.45Å; F328-Y330 HydrophobicContact CD1-CG 4.44Å; F328-Y330 AromaticContact CE1-CD1 3.98Å; F328-Y330 HydrophobicContact CE1-CD1 3.98Å; F328-Y330 HydrophobicContact CE1-CD2 4.28Å; F328-Y330 HydrophobicContact CE1-CE1 4.29Å; F328-Y330 AromaticContact CE1-CG 3.97Å; F328-Y330 HydrophobicContact CE1-CG 3.97Å
329S96.8Very high96.3Very high34 Ų3459.4 Ų59.424%0.23830%0.297CS..EExtended strand (participates in β ladder)trans-102.2129.9167.5-50.50000108.8R162 L302 V309R162-S329 PolarHBondContact NH2-O 2.86Å; L302-S329 WeakPolarHBondContact O-CA 3.49Å; V309-S329 WeakPolarHBondContact CG1-OG 3.22Å
330Y93.5Very high96.1Very high70 Ų7050.6 Ų50.628%0.27527%0.271SS..  trans-61.50-178.7-81.4-90.3000113.4G90 L163 P200 M201 L301 L302 C303 F328G90-Y330 WeakPolarHBondContact O-CE1 3.08Å; L163-Y330 HydrophobicContact CD2-CE1 4.46Å; P200-Y330 HydrophobicContact CB-CD1 3.89Å; P200-Y330 HydrophobicContact CB-CD2 4.22Å; P200-Y330 HydrophobicContact CB-CE1 3.64Å; P200-Y330 HydrophobicContact CB-CE2 3.98Å; P200-Y330 HydrophobicContact CB-CG 4.17Å; P200-Y330 HydrophobicContact CG-CD1 4.39Å; P200-Y330 HydrophobicContact CG-CD2 4.19Å; P200-Y330 HydrophobicContact CG-CE2 4.33Å; P200-Y330 HydrophobicContact CG-CG 4.22Å; M201-Y330 HydrophobicContact CE-CD2 3.8Å; M201-Y330 HydrophobicContact CE-CE2 3.65Å; M201-Y330 HydrophobicContact SD-CE2 4.02Å; L301-Y330 HydrophobicContact CB-CE2 4.12Å; L301-Y330 HydrophobicContact CD1-CE2 4.43Å; L302-Y330 PolarHBondContact O-N 3.23Å; C303-Y330 HydrophobicContact CB-CD2 4.02Å; C303-Y330 HydrophobicContact CB-CG 4.43Å; F328-Y330 HydrophobicContact CD1-CD2 4.29Å; F328-Y330 HydrophobicContact CD1-CE2 4.45Å; F328-Y330 HydrophobicContact CD1-CG 4.44Å; F328-Y330 AromaticContact CE1-CD1 3.98Å; F328-Y330 HydrophobicContact CE1-CD1 3.98Å; F328-Y330 HydrophobicContact CE1-CD2 4.28Å; F328-Y330 HydrophobicContact CE1-CE1 4.29Å; F328-Y330 AromaticContact CE1-CG 3.97Å; F328-Y330 HydrophobicContact CE1-CG 3.97Å

Retrieved 330 of 330 residues in 368 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).