A0A087YLP8_POEFO Loading...

Heat shock protein 90, alpha (cytosolic), class B member 1

AlphaFold DB , UniProt , Accession A0A087YLP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 723 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
1M46.6Very low58.8Low233 Ų233176.1 Ų176.1100%1.14887%0.87SS**  0110.40-73.6168.46200105.8
2P48.1Very low61.1Low129 Ų129173.3 Ų173.384%0.83885%0.853SS**  trans-75.7136.2176.816.3-3.3000109.3
3E52.3Low63.1Low186 Ų186169.9 Ų169.987%0.86985%0.848SS**  trans-59.2128.9176.1-71.6165.8145.700110.4M5E3-M5 PolarHBondContact O-N 2.97Å; E3-M5 VanDerWaalsContact O-N 3.08Å
4E51.8Low64.9Low171 Ų171169.4 Ų169.480%0.79984%0.839SS**  trans-65.7104.2167.1-78.4178.2154.400108.4H6E4-H6 PolarHBondContact O-N 3.25Å
5M53.4Low66.6Low178 Ų178164.3 Ų164.388%0.87783%0.834SS**  trans-67.297.1162.7-79177.458.800108.1E3 Q7E3-M5 PolarHBondContact O-N 2.97Å; E3-M5 VanDerWaalsContact O-N 3.08Å; M5-Q7 PolarHBondContact O-N 3.19Å; M5-Q7 VanDerWaalsContact O-N 3.15Å
6H54.7Low68Low165 Ų165167.6 Ų167.676%0.76484%0.841SS**  trans-59.8113.5160.4-84.3-66.1000108.1E4 E8E4-H6 PolarHBondContact O-N 3.25Å; H6-E8 PolarHBondContact O-N 2.88Å; H6-E8 VanDerWaalsContact O-N 3.15Å
7Q58.4Low69.1Low183 Ų183169.4 Ų169.486%0.85585%0.846SS**  trans-64108.9162.2-83.1177.1-29.600106.9M5 E9M5-Q7 PolarHBondContact O-N 3.19Å; M5-Q7 VanDerWaalsContact O-N 3.15Å; Q7-E9 PolarHBondContact O-N 3.48Å
8E58.6Low69.9Low193 Ų193164.3 Ų164.390%0.90284%0.835SS**  trans-64.6113165.1-75.2-178.215800107.4H6H6-E8 PolarHBondContact O-N 2.88Å; H6-E8 VanDerWaalsContact O-N 3.15Å
9E72.1Confident70.8Confident178 Ų178161.8 Ų161.883%0.83282%0.819SS**  trans-64.3143.8172.9-67-177.4162.500110Q7 V11Q7-E9 PolarHBondContact O-N 3.48Å; E9-V11 PolarHBondContact O-N 3.46Å
10E71.1Confident71.4Confident187 Ų187158.8 Ų158.887%0.87481%0.805SS**  trans-62122.6177.3-84.2-174.8152.500110.6E12E10-E12 PolarHBondContact O-N 2.97Å
11V79.2Confident71.7Confident134 Ų134154 Ų15481%0.81279%0.789SS**  trans-82.2109.6177.4179.30000109.5E9E9-V11 PolarHBondContact O-N 3.46Å
12E86.4Confident73.4Confident143 Ų143148.4 Ų148.467%0.66876%0.76SS**  trans-86.2131.2172.1-64.7-175.1177.900111.3E10 F14E10-E12 PolarHBondContact O-N 2.97Å; E12-F14 HydrophobicContact CB-CD2 4.49Å; E12-F14 HydrophobicContact CB-CE2 3.67Å; E12-F14 HydrophobicContact CB-CZ 4.12Å; E12-F14 VanDerWaalsContact OE2-CZ 3.24Å; E12-F14 WeakPolarHBondContact OE2-CZ 3.39Å
13T87.2Confident75.2Confident129 Ų129144.9 Ų144.979%0.79173%0.734SS**  trans-113.4124.7178.1-59.90000110
14F89.3Confident76.6Confident163 Ų163136.6 Ų136.672%0.71570%0.696SS**  trans-116.3145.2175.1-59.6-86.2000110.3E12E12-F14 HydrophobicContact CB-CD2 4.49Å; E12-F14 HydrophobicContact CB-CE2 3.67Å; E12-F14 HydrophobicContact CB-CZ 4.12Å; E12-F14 VanDerWaalsContact OE2-CZ 3.24Å; E12-F14 WeakPolarHBondContact OE2-CZ 3.39Å
15A89.9Confident78.1Confident92 Ų92131.3 Ų131.376%0.7668%0.678SS**  trans-74.6147.3170.600000110.5Q17A15-Q17 PolarHBondContact O-N 3.49Å
16F89.4Confident79.7Confident218 Ų218126.8 Ų126.896%0.95666%0.656SS**  trans-60.4136.8172-70.9-72.5000110.9
17Q85.9Confident81Confident198 Ų198119 Ų11993%0.92562%0.62SS**  trans-110.7152.6173.6-63.6-170.3-22.800110A15A15-Q17 PolarHBondContact O-N 3.49Å
18A84.5Confident82.2Confident77 Ų77111.2 Ų111.264%0.63658%0.584SS**  trans-135.7131.5176.800000110.6I20A18-I20 PolarHBondContact O-N 2.8Å
19E85.6Confident83.2Confident117 Ų117107.2 Ų107.255%0.54757%0.569SS.*  trans-83103.4176.5-170.3179.6151.400110.2A21 Q22 L23E19-A21 VanDerWaalsContact C-N 3.3Å; E19-A21 PolarHBondContact O-N 2.77Å; E19-Q22 HydrophobicContact CB-CB 4.47Å; E19-Q22 HydrophobicContact CG-CB 4.48Å; E19-Q22 HydrophobicContact CG-CG 4.26Å; E19-Q22 PolarHBondContact O-N 2.73Å; E19-Q22 WeakPolarHBondContact OE1-CG 3.39Å; E19-Q22 PolarHBondContact OE1-NE2 3.2Å; E19-Q22 PolarHBondContact OE2-NE2 3.36Å; E19-L23 PolarHBondContact O-N 3.31Å
20I82.6Confident83.7Confident102 Ų102103 Ų10352%0.52356%0.555SS.*Hα-helixtrans-59.2-39.3-171.5-63.9174.5000112.2A18 Q22 L23 M24 I104A18-I20 PolarHBondContact O-N 2.8Å; I20-Q22 PolarHBondContact O-N 3.34Å; I20-L23 PolarHBondContact O-N 2.86Å; I20-M24 HydrophobicContact CG2-CG 4.26Å; I20-M24 WeakPolarHBondContact O-CB 3.46Å; I20-M24 WeakPolarHBondContact O-CG 3.44Å; I20-M24 PolarHBondContact O-N 3.35Å; I20-I104 HydrophobicContact CG2-CD1 4.05Å
21A78.3Confident84.2Confident59 Ų5996.9 Ų96.949%0.48853%0.526SS..Hα-helixtrans-61.7-44.4-179.500000112E19 S25E19-A21 VanDerWaalsContact C-N 3.3Å; E19-A21 PolarHBondContact O-N 2.77Å; A21-S25 PolarHBondContact O-N 2.76Å
22Q83.1Confident84.4Confident114 Ų11491.3 Ų91.353%0.53349%0.491SS..Hα-helixtrans-70.5-40.6175.8-69.7-176.922.400111.7E19 I20 M24 S25 L26E19-Q22 HydrophobicContact CB-CB 4.47Å; E19-Q22 HydrophobicContact CG-CB 4.48Å; E19-Q22 HydrophobicContact CG-CG 4.26Å; E19-Q22 PolarHBondContact O-N 2.73Å; E19-Q22 WeakPolarHBondContact OE1-CG 3.39Å; E19-Q22 PolarHBondContact OE1-NE2 3.2Å; E19-Q22 PolarHBondContact OE2-NE2 3.36Å; I20-Q22 PolarHBondContact O-N 3.34Å; Q22-M24 VanDerWaalsContact C-N 3.34Å; Q22-M24 PolarHBondContact O-N 2.85Å; Q22-S25 WeakPolarHBondContact O-CB 3.4Å; Q22-S25 PolarHBondContact O-N 3.41Å; Q22-L26 WeakPolarHBondContact O-CG 3.41Å; Q22-L26 PolarHBondContact O-N 3.39Å
23L84.6Confident84.2Confident55 Ų5589.5 Ų89.529%0.28849%0.494SS..Hα-helixtrans-62.3-41.5178.9-174.660.4000112.1E19 I20 L26 I27 I104E19-L23 PolarHBondContact O-N 3.31Å; I20-L23 PolarHBondContact O-N 2.86Å; L23-L26 PolarHBondContact O-N 3.45Å; L23-I27 HydrophobicContact CG-CD1 4.22Å; L23-I27 WeakPolarHBondContact O-CG1 3.37Å; L23-I27 PolarHBondContact O-N 3.2Å; L23-I104 HydrophobicContact CB-CD1 4.47Å; L23-I104 HydrophobicContact CD2-CB 4.39Å; L23-I104 HydrophobicContact CD2-CD1 3.96Å; L23-I104 HydrophobicContact CD2-CG2 3.84Å; L23-I104 HydrophobicContact CG-CD1 4.16Å; L23-I104 HydrophobicContact CG-CG2 4.37Å
24M82.5Confident84.2Confident13 Ų1386 Ų866%0.06447%0.471CS..Hα-helixtrans-60.1-45.4173-81.4-59.1-55.200111.8I20 Q22 L26 I27 I28 I104 Y133 Y136 A160I20-M24 HydrophobicContact CG2-CG 4.26Å; I20-M24 WeakPolarHBondContact O-CB 3.46Å; I20-M24 WeakPolarHBondContact O-CG 3.44Å; I20-M24 PolarHBondContact O-N 3.35Å; Q22-M24 VanDerWaalsContact C-N 3.34Å; Q22-M24 PolarHBondContact O-N 2.85Å; M24-L26 VanDerWaalsContact C-N 3.31Å; M24-L26 PolarHBondContact O-N 3.45Å; M24-I27 PolarHBondContact O-N 3.01Å; M24-I28 HydrophobicContact CE-CD1 3.94Å; M24-I28 VanDerWaalsContact O-CG1 3.29Å; M24-I28 WeakPolarHBondContact O-CG1 3.35Å; M24-I28 PolarHBondContact O-N 2.89Å; M24-I104 HydrophobicContact CG-CD1 3.79Å; M24-I104 HydrophobicContact SD-CD1 3.6Å; M24-I104 HydrophobicContact SD-CG1 4.08Å; M24-Y133 HydrophobicContact CE-CD1 3.49Å; M24-Y133 VanDerWaalsContact CE-CD1 3.49Å; M24-Y133 HydrophobicContact CE-CE1 4.09Å; M24-Y133 HydrophobicContact CE-CG 3.98Å; M24-Y133 HydrophobicContact SD-CD1 3.71Å; M24-Y133 HydrophobicContact SD-CE1 3.86Å; M24-Y133 HydrophobicContact SD-CG 4.04Å; M24-Y136 HydrophobicContact CE-CD2 4.49Å; M24-A160 HydrophobicContact CE-CB 3.98Å
25S83.7Confident84.4Confident60 Ų6082.1 Ų82.142%0.4245%0.453SS..Hα-helixtrans-60.8-39.7175.7-176.30000112.1A21 Q22 I28 N29A21-S25 PolarHBondContact O-N 2.76Å; Q22-S25 WeakPolarHBondContact O-CB 3.4Å; Q22-S25 PolarHBondContact O-N 3.41Å; S25-I28 PolarHBondContact O-N 2.87Å; S25-N29 VanDerWaalsContact O-CB 3.27Å; S25-N29 WeakPolarHBondContact O-CB 3.49Å; S25-N29 PolarHBondContact O-N 3.18Å; S25-N29 PolarHBondContact O-ND2 2.89Å; S25-N29 VanDerWaalsContact O-ND2 3.07Å; S25-N29 PolarHBondContact OG-ND2 3.34Å; S25-N29 VanDerWaalsContact OG-ND2 3.12Å
26L85.8Confident84.5Confident82 Ų8278.3 Ų78.343%0.42942%0.42SS..Hα-helixtrans-64.7-46.1175.7-72.3170.7000111.9Q22 L23 M24 I28 N29 T30 F31Q22-L26 WeakPolarHBondContact O-CG 3.41Å; Q22-L26 PolarHBondContact O-N 3.39Å; L23-L26 PolarHBondContact O-N 3.45Å; M24-L26 VanDerWaalsContact C-N 3.31Å; M24-L26 PolarHBondContact O-N 3.45Å; L26-I28 VanDerWaalsContact C-N 3.27Å; L26-I28 PolarHBondContact O-N 3.39Å; L26-N29 PolarHBondContact O-N 3.15Å; L26-T30 WeakPolarHBondContact CA-OG1 3.29Å; L26-T30 HydrophobicContact CD2-CG2 4.14Å; L26-T30 WeakPolarHBondContact O-CA 3.49Å; L26-T30 PolarHBondContact O-N 3.49Å; L26-T30 PolarHBondContact O-OG1 2.87Å; L26-F31 HydrophobicContact CB-CE1 4.47Å; L26-F31 PolarHBondContact O-N 3.37Å
27I83.6Confident84.6Confident1 Ų168 Ų681%0.00537%0.374CS..Hα-helixtrans-59-42.3178.3-68.5165.2000110.9L23 M24 F31 I104 V130L23-I27 HydrophobicContact CG-CD1 4.22Å; L23-I27 WeakPolarHBondContact O-CG1 3.37Å; L23-I27 PolarHBondContact O-N 3.2Å; M24-I27 PolarHBondContact O-N 3.01Å; I27-F31 HydrophobicContact CB-CD2 4.37Å; I27-F31 HydrophobicContact CG1-CD2 3.97Å; I27-F31 HydrophobicContact CG1-CE2 3.75Å; I27-F31 HydrophobicContact CG1-CZ 4.27Å; I27-F31 HydrophobicContact CG2-CD2 4.49Å; I27-I104 HydrophobicContact CD1-CD1 4.32Å; I27-I104 HydrophobicContact CD1-CG2 3.62Å; I27-V130 HydrophobicContact CD1-CG1 4.26Å
28I83.3Confident85Confident20 Ų2058.6 Ų58.610%0.10333%0.33CS..Hα-helixtrans-74.8-44.6-178.7-62.6165.8000111M24 S25 L26 Y136 L137 A160M24-I28 HydrophobicContact CE-CD1 3.94Å; M24-I28 VanDerWaalsContact O-CG1 3.29Å; M24-I28 WeakPolarHBondContact O-CG1 3.35Å; M24-I28 PolarHBondContact O-N 2.89Å; S25-I28 PolarHBondContact O-N 2.87Å; L26-I28 VanDerWaalsContact C-N 3.27Å; L26-I28 PolarHBondContact O-N 3.39Å; I28-Y136 HydrophobicContact CD1-CG 4.25Å; I28-L137 HydrophobicContact CG2-CD2 4.37Å; I28-L137 WeakPolarHBondContact O-CD2 3.5Å; I28-A160 HydrophobicContact CD1-CB 4.01Å
29N79.9Confident85.6Confident110 Ų11055 Ų5559%0.58830%0.301SS*.Hα-helixtrans-98.2-19-167.5-62.9-52000114.9S25 L26S25-N29 VanDerWaalsContact O-CB 3.27Å; S25-N29 WeakPolarHBondContact O-CB 3.49Å; S25-N29 PolarHBondContact O-N 3.18Å; S25-N29 PolarHBondContact O-ND2 2.89Å; S25-N29 VanDerWaalsContact O-ND2 3.07Å; S25-N29 PolarHBondContact OG-ND2 3.34Å; S25-N29 VanDerWaalsContact OG-ND2 3.12Å; L26-N29 PolarHBondContact O-N 3.15Å
30T82.8Confident86Confident88 Ų8849.6 Ų49.654%0.5428%0.275SS..THydrogen-bonded Turntrans-123.1-23.3-17158.10000115.3L26L26-T30 WeakPolarHBondContact CA-OG1 3.29Å; L26-T30 HydrophobicContact CD2-CG2 4.14Å; L26-T30 WeakPolarHBondContact O-CA 3.49Å; L26-T30 PolarHBondContact O-N 3.49Å; L26-T30 PolarHBondContact O-OG1 2.87Å
31F80.8Confident86.5Confident60 Ų6044.9 Ų44.926%0.26325%0.251SS..SBendtrans-79.8-26.2-173.9-77.617.4000113.3L26 I27 I388 S389L26-F31 HydrophobicContact CB-CE1 4.47Å; L26-F31 PolarHBondContact O-N 3.37Å; I27-F31 HydrophobicContact CB-CD2 4.37Å; I27-F31 HydrophobicContact CG1-CD2 3.97Å; I27-F31 HydrophobicContact CG1-CE2 3.75Å; I27-F31 HydrophobicContact CG1-CZ 4.27Å; I27-F31 HydrophobicContact CG2-CD2 4.49Å; F31-I388 HydrophobicContact CB-CG2 4.21Å; F31-I388 HydrophobicContact CD2-CD1 4.36Å; F31-I388 HydrophobicContact CD2-CG2 3.58Å; F31-I388 HydrophobicContact CE2-CD1 3.78Å; F31-I388 HydrophobicContact CE2-CG1 4.38Å; F31-I388 HydrophobicContact CE2-CG2 4.04Å; F31-I388 HydrophobicContact CG-CG2 3.92Å; F31-I388 HydrophobicContact CZ-CD1 4.37Å; F31-S389 WeakPolarHBondContact O-CB 3.45Å
32Y84.2Confident87.3Confident17 Ų1742.1 Ų42.17%0.06723%0.228CC..  trans-117.2134.9-175.7-58.9-76.6000110.7I37 L137Y32-I37 HydrophobicContact CD1-CD1 3.16Å; Y32-I37 HydrophobicContact CD1-CG1 3.66Å; Y32-I37 HydrophobicContact CD2-CD1 4.03Å; Y32-I37 HydrophobicContact CE1-CD1 3.34Å; Y32-I37 HydrophobicContact CE1-CG1 4.26Å; Y32-I37 HydrophobicContact CE2-CD1 4.18Å; Y32-I37 HydrophobicContact CG-CD1 3.51Å; Y32-I37 HydrophobicContact CG-CG1 3.99Å; Y32-L137 HydrophobicContact CD2-CD1 3.97Å; Y32-L137 HydrophobicContact CG-CD1 4.12Å
33S81.6Confident87.9Confident105 Ų10536.7 Ų36.773%0.73420%0.203SC*.SBendtrans-86.5-33.6177.268.70000111.8E391S33-E391 PolarHBondContact OG-OE2 2.95Å
34N87.5Confident88.3Confident56 Ų5634.2 Ų34.230%0.29919%0.19SC..  trans-118129.8-177.5-167.6-19.8000110.6E36 I37N34-E36 VanDerWaalsContact C-N 3.31Å; N34-E36 VanDerWaalsContact ND2-CD 3.33Å; N34-E36 PolarHBondContact ND2-OE1 3.39Å; N34-E36 PolarHBondContact O-N 3.47Å; N34-E36 WeakPolarHBondContact OD1-CG 3.4Å; N34-E36 PolarHBondContact OD1-N 2.86Å; N34-E36 VanDerWaalsContact OD1-N 3.15Å; N34-I37 HydrophobicContact CB-CG2 4.49Å; N34-I37 WeakPolarHBondContact O-CG1 3.33Å
35K92.5Very high88.8Confident81 Ų8135.9 Ų35.935%0.35220%0.199SC..THydrogen-bonded Turntrans-68.2-29.5-179-66.1-174.7-177.9178.80112.8I37 F38 L137 V138K35-I37 PolarHBondContact O-N 3.45Å; K35-F38 VanDerWaalsContact O-CD1 3.31Å; K35-F38 WeakPolarHBondContact O-CD1 3.24Å; K35-F38 PolarHBondContact O-N 3.36Å; K35-L137 HydrophobicContact CB-CB 4.48Å; K35-L137 HydrophobicContact CG-CB 4.4Å; K35-V138 HydrophobicContact CB-CG1 4.08Å
36E92.9Very high89.4Confident11 Ų1133.1 Ų33.15%0.05118%0.18CC..THydrogen-bonded Turntrans-62.3-15.7-173.981-172.8-169.400114.2N34 F38 L39 Y191 R196 I200 K203 H204N34-E36 VanDerWaalsContact C-N 3.31Å; N34-E36 VanDerWaalsContact ND2-CD 3.33Å; N34-E36 PolarHBondContact ND2-OE1 3.39Å; N34-E36 PolarHBondContact O-N 3.47Å; N34-E36 WeakPolarHBondContact OD1-CG 3.4Å; N34-E36 PolarHBondContact OD1-N 2.86Å; N34-E36 VanDerWaalsContact OD1-N 3.15Å; E36-F38 PolarHBondContact O-N 3.27Å; E36-L39 PolarHBondContact O-N 3.06Å; E36-Y191 HydrophobicContact CB-CE1 4.14Å; E36-R196 IonicContact OE2-CZ 2.75Å; E36-R196 IonicContact OE2-NH1 2.97Å; E36-R196 PolarHBondContact OE2-NH1 2.89Å; E36-R196 VanDerWaalsContact OE2-NH1 3.15Å; E36-R196 IonicContact OE2-NH2 3.54Å; E36-R196 PolarHBondContact OE2-NH2 3.43Å; E36-I200 HydrophobicContact CB-CD1 4.01Å; E36-I200 HydrophobicContact CB-CG1 4.1Å; E36-K203 IonicContact OE1-NZ 3.47Å; E36-K203 PolarHBondContact OE1-NZ 2.93Å; E36-H204 IonicContact OE1-CE1 3.04Å; E36-H204 IonicContact OE1-NE2 3.84Å; E36-H204 PolarHBondContact OE1-NE2 2.92Å
37I91.2Very high89.8Confident1 Ų129.6 Ų29.61%0.00516%0.162CC..Hα-helixtrans-64.2-17.8178.564.591000113.5Y32 N34 K35 L39 R40 E41 L137 E391Y32-I37 HydrophobicContact CD1-CD1 3.16Å; Y32-I37 HydrophobicContact CD1-CG1 3.66Å; Y32-I37 HydrophobicContact CD2-CD1 4.03Å; Y32-I37 HydrophobicContact CE1-CD1 3.34Å; Y32-I37 HydrophobicContact CE1-CG1 4.26Å; Y32-I37 HydrophobicContact CE2-CD1 4.18Å; Y32-I37 HydrophobicContact CG-CD1 3.51Å; Y32-I37 HydrophobicContact CG-CG1 3.99Å; N34-I37 HydrophobicContact CB-CG2 4.49Å; N34-I37 WeakPolarHBondContact O-CG1 3.33Å; K35-I37 PolarHBondContact O-N 3.45Å; I37-L39 PolarHBondContact O-N 2.92Å; I37-R40 WeakPolarHBondContact O-CB 3.49Å; I37-R40 PolarHBondContact O-N 3.22Å; I37-R40 VanDerWaalsContact O-N 3.07Å; I37-E41 HydrophobicContact CD1-CG 4.12Å; I37-E41 PolarHBondContact O-N 3.16Å; I37-L137 HydrophobicContact CD1-CD1 3.81Å; I37-L137 HydrophobicContact CG1-CD1 4.1Å; I37-E391 VanDerWaalsContact CG2-OE1 3.31Å; I37-E391 WeakPolarHBondContact CG2-OE1 3.44Å
38F95Very high90.2Very high1 Ų129.7 Ų29.70%0.00416%0.163CC..Hα-helixtrans-55.6-42.2179.383.1-81.9000111K35 E36 E41 L42 L83 S134 V138 L182 Y191K35-F38 VanDerWaalsContact O-CD1 3.31Å; K35-F38 WeakPolarHBondContact O-CD1 3.24Å; K35-F38 PolarHBondContact O-N 3.36Å; E36-F38 PolarHBondContact O-N 3.27Å; F38-E41 PolarHBondContact O-N 2.79Å; F38-L42 HydrophobicContact CD2-CD1 4.05Å; F38-L42 VanDerWaalsContact O-CG 3.27Å; F38-L42 WeakPolarHBondContact O-CG 3.48Å; F38-L42 PolarHBondContact O-N 3.18Å; F38-L83 HydrophobicContact CE2-CD2 3.94Å; F38-L83 HydrophobicContact CZ-CD2 3.98Å; F38-S134 WeakPolarHBondContact CB-O 3.4Å; F38-V138 HydrophobicContact CB-CG2 4.34Å; F38-V138 HydrophobicContact CD1-CB 4.41Å; F38-V138 HydrophobicContact CD1-CG1 3.78Å; F38-V138 HydrophobicContact CD1-CG2 3.73Å; F38-V138 HydrophobicContact CD2-CG2 3.68Å; F38-V138 HydrophobicContact CE1-CG1 4.03Å; F38-V138 HydrophobicContact CE1-CG2 3.91Å; F38-V138 HydrophobicContact CE2-CG2 3.88Å; F38-V138 HydrophobicContact CG-CG1 4.37Å; F38-V138 HydrophobicContact CG-CG2 3.61Å; F38-V138 HydrophobicContact CZ-CG2 3.98Å; F38-L182 HydrophobicContact CD2-CD1 3.82Å; F38-L182 HydrophobicContact CE2-CD1 3.56Å; F38-Y191 AromaticContact CE1-CD1 3.49Å; F38-Y191 HydrophobicContact CE1-CD1 3.49Å; F38-Y191 VanDerWaalsContact CE1-CD1 3.49Å; F38-Y191 HydrophobicContact CE1-CD2 4.34Å; F38-Y191 AromaticContact CE1-CE1 3.81Å; F38-Y191 HydrophobicContact CE1-CE1 3.81Å; F38-Y191 AromaticContact CE1-CG 3.79Å; F38-Y191 HydrophobicContact CE1-CG 3.79Å; F38-Y191 AromaticContact CZ-CD1 3.99Å; F38-Y191 HydrophobicContact CZ-CD1 3.99Å; F38-Y191 HydrophobicContact CZ-CG 4.03Å
39L95.6Very high90.7Very high3 Ų329.5 Ų29.52%0.01616%0.164CC..Hα-helixtrans-70.6-35.6-179.1-169.460.5000111.1E36 I37 L42 I43 I74 V197 I200 V201E36-L39 PolarHBondContact O-N 3.06Å; I37-L39 PolarHBondContact O-N 2.92Å; L39-L42 PolarHBondContact O-N 3.2Å; L39-I43 HydrophobicContact CD1-CD1 4.11Å; L39-I43 HydrophobicContact CD1-CG1 4.29Å; L39-I43 HydrophobicContact CD2-CD1 4.46Å; L39-I43 HydrophobicContact CG-CD1 3.79Å; L39-I43 HydrophobicContact CG-CG1 4.39Å; L39-I43 WeakPolarHBondContact O-CB 3.29Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.45Å; L39-I43 PolarHBondContact O-N 3.05Å; L39-I74 HydrophobicContact CD1-CD1 4.43Å; L39-V197 HydrophobicContact CD2-CG1 4.21Å; L39-I200 HydrophobicContact CB-CG2 3.94Å; L39-I200 HydrophobicContact CD2-CB 4.24Å; L39-I200 HydrophobicContact CD2-CG2 3.89Å; L39-I200 HydrophobicContact CG-CG2 4.38Å; L39-V201 HydrophobicContact CD2-CG2 3.85Å
40R94.1Very high91.4Very high2 Ų224.3 Ų24.31%0.00814%0.136CC..Hα-helixtrans-59.1-49.5171.8179.1-166.474.3-165-1.6111I37 S44 H204 V358 S389I37-R40 WeakPolarHBondContact O-CB 3.49Å; I37-R40 PolarHBondContact O-N 3.22Å; I37-R40 VanDerWaalsContact O-N 3.07Å; R40-S44 VanDerWaalsContact O-CB 3.28Å; R40-S44 WeakPolarHBondContact O-CB 3.1Å; R40-S44 PolarHBondContact O-N 3.44Å; R40-S44 PolarHBondContact O-OG 2.67Å; R40-H204 HydrophobicContact CB-CB 3.84Å; R40-H204 HydrophobicContact CG-CB 3.91Å; R40-V358 HydrophobicContact CG-CG1 4.1Å; R40-S389 PolarHBondContact NH2-O 3.2Å
41E93Very high91.8Very high3 Ų321 Ų211%0.01412%0.115CC..Hα-helixtrans-64.4-43.3-179.1-67.1-55.9126.100111.3I37 F38 S44 N45 G131 R390I37-E41 HydrophobicContact CD1-CG 4.12Å; I37-E41 PolarHBondContact O-N 3.16Å; F38-E41 PolarHBondContact O-N 2.79Å; E41-S44 PolarHBondContact O-N 3.4Å; E41-N45 PolarHBondContact O-N 2.92Å; E41-N45 PolarHBondContact O-ND2 2.92Å; E41-G131 WeakPolarHBondContact OE2-CA 3.33Å; E41-R390 WeakPolarHBondContact OE1-CD 3.27Å; E41-R390 IonicContact OE1-NE 3.48Å; E41-R390 IonicContact OE2-NE 2.72Å; E41-R390 PolarHBondContact OE2-NE 2.71Å
42L95.9Very high92.3Very high1 Ų119.5 Ų19.51%0.00511%0.109CC..Hα-helixtrans-65.8-46.6179.5-65.9177.9000112F38 L39 S44 N45 S46 L85 F132 I180 L182F38-L42 HydrophobicContact CD2-CD1 4.05Å; F38-L42 VanDerWaalsContact O-CG 3.27Å; F38-L42 WeakPolarHBondContact O-CG 3.48Å; F38-L42 PolarHBondContact O-N 3.18Å; L39-L42 PolarHBondContact O-N 3.2Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.29Å; L42-N45 PolarHBondContact O-N 3.31Å; L42-S46 PolarHBondContact O-N 2.94Å; L42-S46 PolarHBondContact O-OG 3.47Å; L42-L85 HydrophobicContact CB-CD2 3.59Å; L42-F132 HydrophobicContact CD2-CD2 4.18Å; L42-I180 HydrophobicContact CD2-CD1 3.98Å; L42-L182 HydrophobicContact CD1-CD1 3.77Å; L42-L182 HydrophobicContact CD1-CD2 4.25Å; L42-L182 HydrophobicContact CD1-CG 4.45Å
43I95.9Very high92.8Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-61.6-39.1175.1-68.6170.1000110.9L39 S46 S47 I72 I74 L85 V201 I208 I212L39-I43 HydrophobicContact CD1-CD1 4.11Å; L39-I43 HydrophobicContact CD1-CG1 4.29Å; L39-I43 HydrophobicContact CD2-CD1 4.46Å; L39-I43 HydrophobicContact CG-CD1 3.79Å; L39-I43 HydrophobicContact CG-CG1 4.39Å; L39-I43 WeakPolarHBondContact O-CB 3.29Å; L39-I43 VanDerWaalsContact O-CG1 3.23Å; L39-I43 WeakPolarHBondContact O-CG1 3.45Å; L39-I43 PolarHBondContact O-N 3.05Å; I43-S46 PolarHBondContact O-N 3.4Å; I43-S47 PolarHBondContact O-N 3.37Å; I43-I72 HydrophobicContact CG2-CD1 3.99Å; I43-I74 HydrophobicContact CD1-CD1 4.19Å; I43-L85 HydrophobicContact CG1-CD1 4.41Å; I43-V201 HydrophobicContact CD1-CG2 3.93Å; I43-I208 HydrophobicContact CG2-CG1 4.11Å; I43-I212 HydrophobicContact CD1-CD1 4.5Å; I43-I212 HydrophobicContact CG2-CD1 3.8Å
44S92.7Very high93.2Very high3 Ų319.3 Ų19.32%0.0219%0.092CC..Hα-helixtrans-63.1-43.3176.9-58.70000111.5R40 E41 L42 S47 D48R40-S44 VanDerWaalsContact O-CB 3.28Å; R40-S44 WeakPolarHBondContact O-CB 3.1Å; R40-S44 PolarHBondContact O-N 3.44Å; R40-S44 PolarHBondContact O-OG 2.67Å; E41-S44 PolarHBondContact O-N 3.4Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.29Å; S44-S47 PolarHBondContact O-N 2.74Å; S44-D48 PolarHBondContact O-N 2.99Å
45N93.8Very high93.3Very high49 Ų4919.3 Ų19.326%0.2629%0.088SC..Hα-helixtrans-64.3-40.7175.9-67.2-28.2000111.8E41 L42 D48 A49E41-N45 PolarHBondContact O-N 2.92Å; E41-N45 PolarHBondContact O-ND2 2.92Å; L42-N45 PolarHBondContact O-N 3.31Å; N45-D48 PolarHBondContact O-N 2.77Å; N45-A49 PolarHBondContact O-N 3.24Å
46S95.8Very high93.1Very high1 Ų117.7 Ų17.71%0.0078%0.082CC..Hα-helixtrans-63.3-41.1174.7-66.40000111.8L42 I43 A49 L50 D87L42-S46 PolarHBondContact O-N 2.94Å; L42-S46 PolarHBondContact O-OG 3.47Å; I43-S46 PolarHBondContact O-N 3.4Å; S46-A49 PolarHBondContact O-N 3.49Å; S46-L50 VanDerWaalsContact O-CG 3.32Å; S46-L50 WeakPolarHBondContact O-CG 3.42Å; S46-L50 PolarHBondContact O-N 2.92Å; S46-D87 PolarHBondContact OG-OD2 2.86Å
47S93.4Very high93Very high9 Ų918.1 Ų18.16%0.0639%0.086CC..Hα-helixtrans-61.8-45.3173.4-172.20000111.9I43 S44 A49 L50 D51I43-S47 PolarHBondContact O-N 3.37Å; S44-S47 PolarHBondContact O-N 2.74Å; S47-A49 VanDerWaalsContact C-N 3.25Å; S47-A49 PolarHBondContact O-N 3.14Å; S47-L50 PolarHBondContact O-N 2.87Å; S47-L50 VanDerWaalsContact O-N 3.16Å; S47-D51 PolarHBondContact O-N 3.16Å
48D92.1Very high92.9Very high3 Ų323.8 Ų23.82%0.01612%0.115CC..Hα-helixtrans-59.2-38.3175.7-77.2-9.2000111.1S44 N45 D51 K52 T109 M124 I125 G126S44-D48 PolarHBondContact O-N 2.99Å; N45-D48 PolarHBondContact O-N 2.77Å; D48-D51 PolarHBondContact O-N 3.44Å; D48-K52 WeakPolarHBondContact O-CG 3.49Å; D48-K52 PolarHBondContact O-N 2.75Å; D48-T109 PolarHBondContact OD2-OG1 2.66Å; D48-M124 WeakPolarHBondContact OD1-CA 3.43Å; D48-M124 WeakPolarHBondContact OD1-CB 3.39Å; D48-I125 PolarHBondContact OD1-N 2.85Å; D48-G126 VanDerWaalsContact OD2-CA 3.31Å; D48-G126 WeakPolarHBondContact OD2-CA 3.39Å; D48-G126 PolarHBondContact OD2-N 3.07Å
49A94.3Very high92.5Very high16 Ų1628.7 Ų28.713%0.13215%0.145CC..Hα-helixtrans-68.7-35177.300000112.8N45 S46 S47 I53 G89 I90N45-A49 PolarHBondContact O-N 3.24Å; S46-A49 PolarHBondContact O-N 3.49Å; S47-A49 VanDerWaalsContact C-N 3.25Å; S47-A49 PolarHBondContact O-N 3.14Å; A49-I53 PolarHBondContact O-N 2.86Å; A49-G89 WeakPolarHBondContact O-CA 3.34Å; A49-I90 HydrophobicContact CB-CG2 4.5Å; A49-I90 PolarHBondContact O-N 3.19Å; A49-I90 VanDerWaalsContact O-N 3.09Å
50L94.4Very high92.2Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-69.2-39.7173.1-68.3167.1000111.4S46 S47 K52 I53 R54 L70 I72 Y210S46-L50 VanDerWaalsContact O-CG 3.32Å; S46-L50 WeakPolarHBondContact O-CG 3.42Å; S46-L50 PolarHBondContact O-N 2.92Å; S47-L50 PolarHBondContact O-N 2.87Å; S47-L50 VanDerWaalsContact O-N 3.16Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.28Å; L50-I53 WeakPolarHBondContact O-CG2 3.35Å; L50-I53 PolarHBondContact O-N 3.44Å; L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.34Å; L50-R54 PolarHBondContact O-N 2.9Å; L50-L70 HydrophobicContact CD2-CB 3.95Å; L50-L70 HydrophobicContact CD2-CD2 3.89Å; L50-L70 HydrophobicContact CD2-CG 4.5Å; L50-I72 HydrophobicContact CD1-CD1 4.07Å; L50-I72 HydrophobicContact CD1-CG1 3.6Å; L50-Y210 HydrophobicContact CB-CD1 4.09Å; L50-Y210 HydrophobicContact CB-CD2 3.77Å; L50-Y210 HydrophobicContact CB-CE1 3.9Å; L50-Y210 HydrophobicContact CB-CE2 3.56Å; L50-Y210 HydrophobicContact CB-CG 4.04Å; L50-Y210 HydrophobicContact CD1-CD1 4.04Å; L50-Y210 HydrophobicContact CD1-CD2 3.78Å; L50-Y210 HydrophobicContact CD1-CE2 4.45Å; L50-Y210 HydrophobicContact CD1-CG 3.55Å; L50-Y210 HydrophobicContact CG-CD2 4.43Å; L50-Y210 HydrophobicContact CG-CG 4.39Å
51D91.3Very high92.1Very high18 Ų1835.6 Ų35.610%0.09619%0.188CC..Hα-helixtrans-64.2-37.7175-77-37.9000112.4S47 D48 R54 Y55 I122 M124 Y210S47-D51 PolarHBondContact O-N 3.16Å; D48-D51 PolarHBondContact O-N 3.44Å; D51-R54 PolarHBondContact O-N 2.89Å; D51-Y55 WeakPolarHBondContact O-CB 3.37Å; D51-Y55 PolarHBondContact O-N 2.9Å; D51-I122 HydrophobicContact CB-CG2 4.4Å; D51-M124 HydrophobicContact CB-CE 4.33Å; D51-Y210 WeakPolarHBondContact CA-OH 3.1Å; D51-Y210 WeakPolarHBondContact OD1-CE2 3.44Å; D51-Y210 PolarHBondContact OD1-OH 3.05Å
52K91.4Very high92.2Very high30 Ų3039.5 Ų39.513%0.1321%0.212CC..Hα-helixtrans-60.7-51.7174.7-74.2172.1-169.3173.60112.2D48 L50 R54 Y55 E56 I90 T109 F112 M124D48-K52 WeakPolarHBondContact O-CG 3.49Å; D48-K52 PolarHBondContact O-N 2.75Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.28Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 3.46Å; K52-Y55 WeakPolarHBondContact O-CB 3.4Å; K52-Y55 PolarHBondContact O-N 3.31Å; K52-E56 PolarHBondContact O-N 3.4Å; K52-I90 HydrophobicContact CB-CB 4.25Å; K52-I90 HydrophobicContact CB-CD1 4.24Å; K52-I90 HydrophobicContact CB-CG2 3.92Å; K52-I90 HydrophobicContact CD-CG2 4.12Å; K52-T109 PolarHBondContact NZ-OG1 3.01Å; K52-T109 VanDerWaalsContact NZ-OG1 3.08Å; K52-F112 HydrophobicContact CB-CE1 4.45Å; K52-F112 HydrophobicContact CB-CE2 4.45Å; K52-F112 HydrophobicContact CB-CZ 4.18Å; K52-F112 HydrophobicContact CD-CG 4.42Å; K52-F112 HydrophobicContact CG-CD1 3.96Å; K52-F112 HydrophobicContact CG-CD2 4.22Å; K52-F112 HydrophobicContact CG-CE1 3.86Å; K52-F112 HydrophobicContact CG-CE2 4.17Å; K52-F112 HydrophobicContact CG-CG 4.09Å; K52-F112 HydrophobicContact CG-CZ 3.97Å; K52-M124 HydrophobicContact CG-CE 3.66Å; K52-M124 HydrophobicContact CG-SD 4.1Å
53I93.6Very high92Very high0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-67.6-36.6179.9-171.666.1000111.5A49 L50 Y55 E56 S57 K63 L64 L70 I90A49-I53 PolarHBondContact O-N 2.86Å; L50-I53 WeakPolarHBondContact O-CG2 3.35Å; L50-I53 PolarHBondContact O-N 3.44Å; I53-Y55 VanDerWaalsContact C-N 3.29Å; I53-Y55 PolarHBondContact O-N 2.81Å; I53-E56 PolarHBondContact O-N 3.3Å; I53-S57 WeakPolarHBondContact O-CB 3.34Å; I53-S57 PolarHBondContact O-N 3.31Å; I53-K63 HydrophobicContact CD1-CB 4Å; I53-L64 HydrophobicContact CG1-CD2 3.82Å; I53-L70 HydrophobicContact CG2-CD2 3.71Å; I53-I90 HydrophobicContact CB-CB 4.03Å; I53-I90 HydrophobicContact CD1-CG1 4.37Å
54R91.3Very high91.8Very high117 Ų11743 Ų4344%0.44223%0.228SC..Hα-helixtrans-58.2-45.7173.6-179.8177171.6-99.2-3.7110.2L50 D51 K52 S57 L58 L70 Y210L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.34Å; L50-R54 PolarHBondContact O-N 2.9Å; D51-R54 PolarHBondContact O-N 2.89Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 3.46Å; R54-S57 PolarHBondContact O-N 3.27Å; R54-S57 PolarHBondContact O-OG 2.87Å; R54-L58 WeakPolarHBondContact O-CG 3.37Å; R54-L58 PolarHBondContact O-N 2.67Å; R54-L70 HydrophobicContact CB-CD1 4.14Å; R54-Y210 VanDerWaalsContact CD-OH 3.28Å; R54-Y210 WeakPolarHBondContact CD-OH 3.36Å
55Y88.9Confident91.7Very high56 Ų5648.6 Ų48.622%0.2226%0.258CS..Hα-helixtrans-62.3-49.8176.6-178.3-108.8000113.1D51 K52 I53 S57 L58 F112 L116 A120 I122D51-Y55 WeakPolarHBondContact O-CB 3.37Å; D51-Y55 PolarHBondContact O-N 2.9Å; K52-Y55 WeakPolarHBondContact O-CB 3.4Å; K52-Y55 PolarHBondContact O-N 3.31Å; I53-Y55 VanDerWaalsContact C-N 3.29Å; I53-Y55 PolarHBondContact O-N 2.81Å; Y55-S57 PolarHBondContact O-N 3.35Å; Y55-L58 HydrophobicContact CD2-CD1 4.38Å; Y55-L58 WeakPolarHBondContact O-CB 3.34Å; Y55-L58 PolarHBondContact O-N 3.46Å; Y55-F112 HydrophobicContact CD1-CE1 4.25Å; Y55-F112 AromaticContact CD1-CZ 3.68Å; Y55-F112 HydrophobicContact CD1-CZ 3.68Å; Y55-F112 HydrophobicContact CE1-CZ 4.47Å; Y55-F112 HydrophobicContact CG-CZ 4.3Å; Y55-L116 HydrophobicContact CD1-CD2 3.62Å; Y55-L116 HydrophobicContact CD2-CD2 4.3Å; Y55-L116 HydrophobicContact CE1-CD2 3.12Å; Y55-L116 HydrophobicContact CE2-CD2 3.85Å; Y55-L116 HydrophobicContact CG-CD2 4.14Å; Y55-L116 WeakPolarHBondContact OH-CD2 3.41Å; Y55-A120 HydrophobicContact CD2-CB 4.2Å; Y55-A120 HydrophobicContact CE2-CB 3.47Å; Y55-A120 VanDerWaalsContact CE2-CB 3.47Å; Y55-I122 VanDerWaalsContact CB-CD1 3.44Å; Y55-I122 HydrophobicContact CD1-CD1 4.25Å; Y55-I122 HydrophobicContact CD2-CD1 3.12Å; Y55-I122 HydrophobicContact CD2-CG1 4.3Å; Y55-I122 HydrophobicContact CE2-CD1 3.82Å; Y55-I122 HydrophobicContact CG-CD1 3.31Å
56E89.2Confident91.5Very high48 Ų4848.4 Ų48.422%0.22426%0.26CS..Hα-helixtrans-59.3-32.9177.6-70.5-166.6176.200111.7K52 I53 L58 T59 D60 K63 I90K52-E56 PolarHBondContact O-N 3.4Å; I53-E56 PolarHBondContact O-N 3.3Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 2.97Å; E56-T59 PolarHBondContact O-N 3.21Å; E56-T59 PolarHBondContact O-OG1 2.74Å; E56-D60 PolarHBondContact O-N 3.49Å; E56-K63 HydrophobicContact CB-CG 4.45Å; E56-I90 HydrophobicContact CG-CD1 4.44Å; E56-I90 WeakPolarHBondContact OE1-CD1 3.36Å
57S90.7Very high91.2Very high19 Ų1949.6 Ų49.613%0.13327%0.273CS..Hα-helixtrans-69.4-21.7176.1790000114.4I53 R54 Y55 T59 D60I53-S57 WeakPolarHBondContact O-CB 3.34Å; I53-S57 PolarHBondContact O-N 3.31Å; R54-S57 PolarHBondContact O-N 3.27Å; R54-S57 PolarHBondContact O-OG 2.87Å; Y55-S57 PolarHBondContact O-N 3.35Å; S57-T59 VanDerWaalsContact C-N 3.32Å; S57-D60 WeakPolarHBondContact CA-O 3.17Å; S57-D60 CarbonylContact O-C 3.52Å
58L87.9Confident91.1Very high120 Ų12056.6 Ų56.663%0.62830%0.302SS*.Hα-helixtrans-71.8-30.7174.6-64.1174.8000111.4R54 Y55 E56R54-L58 WeakPolarHBondContact O-CG 3.37Å; R54-L58 PolarHBondContact O-N 2.67Å; Y55-L58 HydrophobicContact CD2-CD1 4.38Å; Y55-L58 WeakPolarHBondContact O-CB 3.34Å; Y55-L58 PolarHBondContact O-N 3.46Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 2.97Å
59T86.8Confident91.1Very high104 Ų10462.1 Ų62.164%0.63833%0.332SS*.Hα-helixtrans-91.8-36.5176.9560000112E56 S57E56-T59 PolarHBondContact O-N 3.21Å; E56-T59 PolarHBondContact O-OG1 2.74Å; S57-T59 VanDerWaalsContact C-N 3.32Å
60D90Very high91.2Very high59 Ų5963.1 Ų63.132%0.31634%0.335SS..  trans-138.396.1178.9-178.32.9000111.7E56 S57 T62 K63E56-D60 PolarHBondContact O-N 3.49Å; S57-D60 WeakPolarHBondContact CA-O 3.17Å; S57-D60 CarbonylContact O-C 3.52Å; D60-T62 VanDerWaalsContact CG-OG1 3.23Å; D60-T62 PolarHBondContact O-N 3.12Å; D60-T62 VanDerWaalsContact O-N 3.07Å; D60-T62 WeakPolarHBondContact OD1-CB 3.29Å; D60-T62 PolarHBondContact OD1-N 3.34Å; D60-T62 PolarHBondContact OD1-OG1 3.26Å; D60-T62 PolarHBondContact OD2-OG1 3.17Å; D60-K63 HydrophobicContact CB-CG 4.12Å; D60-K63 WeakPolarHBondContact O-CB 3.27Å; D60-K63 WeakPolarHBondContact O-CG 3.35Å; D60-K63 PolarHBondContact O-N 3.49Å
61P92.6Very high91.3Very high92 Ų9265.7 Ų65.760%0.59735%0.346SS*.G310 helixtrans-58.8-22179.9-27.335.9000115K63 L64P61-K63 PolarHBondContact O-N 3.1Å; P61-L64 PolarHBondContact O-N 2.95Å
62T93.4Very high91.6Very high84 Ų8464.8 Ų64.852%0.51534%0.341SS..G310 helixtrans-67.4-20.1-178.869.90000112.4D60 L64 D65D60-T62 VanDerWaalsContact CG-OG1 3.23Å; D60-T62 PolarHBondContact O-N 3.12Å; D60-T62 VanDerWaalsContact O-N 3.07Å; D60-T62 WeakPolarHBondContact OD1-CB 3.29Å; D60-T62 PolarHBondContact OD1-N 3.34Å; D60-T62 PolarHBondContact OD1-OG1 3.26Å; D60-T62 PolarHBondContact OD2-OG1 3.17Å; T62-L64 PolarHBondContact O-N 2.69Å; T62-L64 VanDerWaalsContact O-N 3.07Å; T62-D65 WeakPolarHBondContact O-CB 3.43Å; T62-D65 PolarHBondContact O-N 3.33Å
63K91.7Very high91.9Very high43 Ų4364 Ų6419%0.18734%0.338CS..G310 helixtrans-60.4-18.9174.8-66.9-72.4-177.6171.30113.3I53 E56 D60 P61 N149 D150 R176I53-K63 HydrophobicContact CD1-CB 4Å; E56-K63 HydrophobicContact CB-CG 4.45Å; D60-K63 HydrophobicContact CB-CG 4.12Å; D60-K63 WeakPolarHBondContact O-CB 3.27Å; D60-K63 WeakPolarHBondContact O-CG 3.35Å; D60-K63 PolarHBondContact O-N 3.49Å; P61-K63 PolarHBondContact O-N 3.1Å; K63-N149 PolarHBondContact O-ND2 2.77Å; K63-D150 IonicContact NZ-OD1 2.82Å; K63-D150 PolarHBondContact NZ-OD1 2.63Å; K63-D150 IonicContact NZ-OD2 2.66Å; K63-R176 PolarHBondContact O-NH1 2.92Å
64L93.2Very high92.1Very high32 Ų3264 Ų6417%0.16834%0.338CS..G310 helixtrans-91.8-2.5175.9-65.2179.9000114.8I53 P61 T62 S66 G67 K68 L70I53-L64 HydrophobicContact CG1-CD2 3.82Å; P61-L64 PolarHBondContact O-N 2.95Å; T62-L64 PolarHBondContact O-N 2.69Å; T62-L64 VanDerWaalsContact O-N 3.07Å; L64-S66 PolarHBondContact O-N 3.03Å; L64-G67 CarbonylContact O-C 3.57Å; L64-G67 PolarHBondContact O-N 3.43Å; L64-K68 HydrophobicContact CB-CG 4.37Å; L64-K68 WeakPolarHBondContact O-CG 3.34Å; L64-K68 PolarHBondContact O-N 3.1Å; L64-L70 HydrophobicContact CD2-CD2 4.38Å
65D91.1Very high92.3Very high120 Ų12061 Ų6164%0.64233%0.331SS*.THydrogen-bonded Turntrans-64.4-26.8-178.7-72.2-21.6000112.7T62 G67T62-D65 WeakPolarHBondContact O-CB 3.43Å; T62-D65 PolarHBondContact O-N 3.33Å; D65-G67 VanDerWaalsContact C-N 3.26Å; D65-G67 PolarHBondContact O-N 3.49Å
66S87.9Confident92.6Very high45 Ų4559.8 Ų59.832%0.31533%0.329SS..THydrogen-bonded Turntrans-77.7-5.3173.755.40000114.5L64 N149L64-S66 PolarHBondContact O-N 3.03Å; S66-N149 WeakPolarHBondContact CB-OD1 3.46Å; S66-N149 PolarHBondContact OG-OD1 2.84Å
67G89.6Confident92.8Very high26 Ų2660 Ų6027%0.26833%0.332SS..  trans163.6113.1178.200000111.9L64 D65 R176L64-G67 CarbonylContact O-C 3.57Å; L64-G67 PolarHBondContact O-N 3.43Å; D65-G67 VanDerWaalsContact C-N 3.26Å; D65-G67 PolarHBondContact O-N 3.49Å; G67-R176 PolarHBondContact O-NH1 3.08Å; G67-R176 PolarHBondContact O-NH2 3.32Å
68K91.1Very high92.8Very high156 Ų15664.7 Ų64.768%0.67835%0.35SS*.  trans-85.7-25.4-178.8-66.3-174.7179.3-178.90113.4L64L64-K68 HydrophobicContact CB-CG 4.37Å; L64-K68 WeakPolarHBondContact O-CG 3.34Å; L64-K68 PolarHBondContact O-N 3.1Å
69D92.9Very high92.9Very high120 Ų12063.2 Ų63.264%0.64236%0.355SS*.  trans-76.3126.9-178.5-60-33.6000110.3T88D69-T88 VanDerWaalsContact O-CB 3.26Å; D69-T88 WeakPolarHBondContact O-CB 3.48Å; D69-T88 PolarHBondContact O-OG1 2.82Å
70L95.9Very high93.2Very high37 Ų3763.4 Ų63.419%0.19435%0.352CS..  trans-109.4101.2177.6-62-175.6000109.1L50 I53 R54 L64 T88 Y210 P211L50-L70 HydrophobicContact CD2-CB 3.95Å; L50-L70 HydrophobicContact CD2-CD2 3.89Å; L50-L70 HydrophobicContact CD2-CG 4.5Å; I53-L70 HydrophobicContact CG2-CD2 3.71Å; R54-L70 HydrophobicContact CB-CD1 4.14Å; L64-L70 HydrophobicContact CD2-CD2 4.38Å; L70-T88 WeakPolarHBondContact CA-OG1 3.06Å; L70-Y210 HydrophobicContact CB-CD1 3.8Å; L70-Y210 HydrophobicContact CB-CE1 3.91Å; L70-Y210 HydrophobicContact CD1-CE1 3.92Å; L70-P211 WeakPolarHBondContact O-CD 3.36Å
71K96.3Very high93.4Very high53 Ų5365.5 Ų65.523%0.2336%0.356CS..  trans-153.4167.6-173.861.5174.6-179.81420112.6D73 T88 P211K71-D73 WeakPolarHBondContact CD-OD1 3.46Å; K71-D73 WeakPolarHBondContact CE-OD2 3.42Å; K71-D73 IonicContact NZ-OD1 3.61Å; K71-D73 PolarHBondContact NZ-OD1 2.98Å; K71-D73 IonicContact NZ-OD2 3.25Å; K71-D73 PolarHBondContact NZ-OD2 3.14Å; K71-T88 HydrophobicContact CG-CG2 4.2Å; K71-T88 PolarHBondContact N-OG1 2.66Å; K71-T88 PolarHBondContact O-N 3.39Å; K71-T88 PolarHBondContact O-OG1 3.37Å; K71-P211 HydrophobicContact CB-CB 4.46Å
72I97.8Very high93.6Very high0 Ų061.5 Ų61.50%033%0.329CS..EExtended strand (participates in β ladder)trans-125122175.5-53.7174.2000107.8I43 L50 L85 V86 P211 I212 T213I43-I72 HydrophobicContact CG2-CD1 3.99Å; L50-I72 HydrophobicContact CD1-CD1 4.07Å; L50-I72 HydrophobicContact CD1-CG1 3.6Å; I72-L85 HydrophobicContact CG2-CD1 3.57Å; I72-L85 HydrophobicContact CG2-CG 4.13Å; I72-V86 CarbonylContact C-O 3.55Å; I72-V86 WeakPolarHBondContact CA-O 3.49Å; I72-P211 PolarHBondContact N-O 3.46Å; I72-I212 HydrophobicContact CB-CG1 4.38Å; I72-I212 HydrophobicContact CD1-CG1 4.47Å; I72-I212 CarbonylContact O-C 3.56Å; I72-I212 VanDerWaalsContact O-CA 3.28Å; I72-I212 WeakPolarHBondContact O-CA 3.18Å; I72-T213 PolarHBondContact O-N 3.39Å
73D97.6Very high93.8Very high13 Ų1357.6 Ų57.67%0.0731%0.306CS..EExtended strand (participates in β ladder)trans-111.8130.8-179.7-63.9-22.5000110K71 L85 V86 T213 F215K71-D73 WeakPolarHBondContact CD-OD1 3.46Å; K71-D73 WeakPolarHBondContact CE-OD2 3.42Å; K71-D73 IonicContact NZ-OD1 3.61Å; K71-D73 PolarHBondContact NZ-OD1 2.98Å; K71-D73 IonicContact NZ-OD2 3.25Å; K71-D73 PolarHBondContact NZ-OD2 3.14Å; D73-L85 WeakPolarHBondContact O-CA 3.32Å; D73-V86 HydrophobicContact CB-CB 4.27Å; D73-V86 PolarHBondContact N-O 2.83Å; D73-V86 PolarHBondContact O-N 3.41Å; D73-T213 PolarHBondContact OD1-OG1 3.03Å; D73-F215 HydrophobicContact CB-CD2 4.36Å; D73-F215 HydrophobicContact CB-CE2 3.67Å; D73-F215 HydrophobicContact CB-CZ 4.4Å
74I97.8Very high94.1Very high0 Ų056.2 Ų56.20%030%0.301CS..EExtended strand (participates in β ladder)trans-108.7121.7176.5-55.3171.8000108.3L39 I43 L83 L85 V197 V201 I212 T213 L214 F215 L280L39-I74 HydrophobicContact CD1-CD1 4.43Å; I43-I74 HydrophobicContact CD1-CD1 4.19Å; I74-L83 HydrophobicContact CG2-CD1 3.72Å; I74-L85 HydrophobicContact CD1-CD1 4.49Å; I74-L85 HydrophobicContact CG1-CD1 3.58Å; I74-V197 HydrophobicContact CD1-CG1 4.16Å; I74-V197 HydrophobicContact CG2-CG1 4.07Å; I74-V201 HydrophobicContact CD1-CG2 3.75Å; I74-I212 HydrophobicContact CD1-CG2 3.78Å; I74-I212 HydrophobicContact CG1-CG2 4.32Å; I74-T213 PolarHBondContact N-O 3.48Å; I74-L214 HydrophobicContact CB-CD1 3.94Å; I74-L214 HydrophobicContact CG2-CD1 3.82Å; I74-F215 PolarHBondContact O-N 2.87Å; I74-L280 HydrophobicContact CD1-CD1 4.48Å
75I96.7Very high94.4Very high54 Ų5454.9 Ų54.928%0.27729%0.294SS..EExtended strand (participates in β ladder)trans-126.295.2-173.8-47.8174.7000109.2T84 V86 F215I75-T84 PolarHBondContact N-O 2.9Å; I75-T84 PolarHBondContact O-N 3.37Å; I75-V86 HydrophobicContact CD1-CG2 4.08Å; I75-F215 HydrophobicContact CB-CB 4.44Å; I75-F215 HydrophobicContact CD1-CD1 4.38Å; I75-F215 HydrophobicContact CD1-CE1 4.43Å; I75-F215 HydrophobicContact CG1-CB 4.21Å; I75-F215 HydrophobicContact CG1-CD1 4.17Å; I75-F215 HydrophobicContact CG1-CD2 3.87Å; I75-F215 HydrophobicContact CG1-CE2 4.32Å; I75-F215 HydrophobicContact CG1-CG 3.83Å; I75-F215 HydrophobicContact CG2-CB 4.23Å
76P95.3Very high94.7Very high30 Ų3050.6 Ų50.620%0.19527%0.272CS..EExtended strand (participates in β ladder)trans-70.9137.6170.3-14.430.1000110.8L83 I192 L214 F215P76-L83 HydrophobicContact CB-CD1 4.15Å; P76-L83 HydrophobicContact CG-CD1 4.03Å; P76-I192 HydrophobicContact CB-CB 4.13Å; P76-I192 HydrophobicContact CB-CG2 4.19Å; P76-L214 HydrophobicContact CG-CD1 3.8Å; P76-F215 WeakPolarHBondContact CD-O 3.34Å
77N93.5Very high95.1Very high52 Ų5248.8 Ų48.828%0.27826%0.258SS..EExtended strand (participates in β ladder)trans-128.2104.6171.9175-5.8000109.2A79 D80 R81 T82N77-A79 WeakPolarHBondContact OD1-CB 3.48Å; N77-A79 PolarHBondContact OD1-N 3.48Å; N77-D80 PolarHBondContact ND2-OD2 3.49Å; N77-D80 PolarHBondContact OD1-N 2.95Å; N77-R81 PolarHBondContact O-N 3.22Å; N77-T82 WeakPolarHBondContact CB-OG1 3.43Å; N77-T82 PolarHBondContact N-O 3.32Å; N77-T82 PolarHBondContact O-N 2.92Å
78K90.1Very high95.5Very high119 Ų11948.9 Ų48.952%0.51725%0.254SS..THydrogen-bonded Turntrans-71.8-30.8-177.6-58.9-163.2176.8-160.80113.1I192 E193K78-I192 HydrophobicContact CB-CD1 4.33Å; K78-I192 HydrophobicContact CG-CD1 4.16Å; K78-E193 IonicContact NZ-OE1 3.98Å; K78-E193 PolarHBondContact NZ-OE1 3.01Å; K78-E193 IonicContact NZ-OE2 3.48Å; K78-E193 PolarHBondContact NZ-OE2 3.34Å
79A90.4Very high95.7Very high89 Ų8941.4 Ų41.474%0.73622%0.222SC*.THydrogen-bonded Turntrans-65.6-45-178.100000111.3N77N77-A79 WeakPolarHBondContact OD1-CB 3.48Å; N77-A79 PolarHBondContact OD1-N 3.48Å
80D92.5Very high95.9Very high107 Ų10736.5 Ų36.557%0.57220%0.195SC*.THydrogen-bonded Turntrans-94.80.6-177.6-60.2-40.9000113.4N77 T82N77-D80 PolarHBondContact ND2-OD2 3.49Å; N77-D80 PolarHBondContact OD1-N 2.95Å; D80-T82 HydrophobicContact CB-CG2 4.01Å; D80-T82 WeakPolarHBondContact O-CG2 3.33Å; D80-T82 PolarHBondContact O-N 3.39Å
81R95.1Very high95.9Very high104 Ų10435.1 Ų35.139%0.39219%0.19SC..THydrogen-bonded Turntrans52.344.1-171.2-55.8-176.8-65.2-169.65112N77 L184 E186N77-R81 PolarHBondContact O-N 3.22Å; R81-L184 WeakPolarHBondContact O-CB 3.45Å; R81-L184 PolarHBondContact O-N 3.14Å; R81-E186 IonicContact CZ-OE1 3.29Å; R81-E186 IonicContact NH1-OE1 3.39Å; R81-E186 PolarHBondContact NH1-OE1 3.29Å; R81-E186 IonicContact NH2-OE1 3.74Å; R81-E186 PolarHBondContact NH2-OE1 2.82Å
82T96.9Very high95.9Very high7 Ų734.5 Ų34.54%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-116.8148.2179.761.40000112.3N77 D80 I181 L182 Y183 I192N77-T82 WeakPolarHBondContact CB-OG1 3.43Å; N77-T82 PolarHBondContact N-O 3.32Å; N77-T82 PolarHBondContact O-N 2.92Å; D80-T82 HydrophobicContact CB-CG2 4.01Å; D80-T82 WeakPolarHBondContact O-CG2 3.33Å; D80-T82 PolarHBondContact O-N 3.39Å; T82-I181 HydrophobicContact CG2-CG2 4.27Å; T82-L182 CarbonylContact C-O 3.5Å; T82-L182 WeakPolarHBondContact CA-O 3.35Å; T82-L182 WeakPolarHBondContact CB-O 3.34Å; T82-Y183 HydrophobicContact CG2-CD1 3.62Å; T82-Y183 HydrophobicContact CG2-CE1 3.81Å; T82-Y183 HydrophobicContact CG2-CG 4.07Å; T82-I192 WeakPolarHBondContact O-CG2 3.33Å
83L97.5Very high95.9Very high3 Ų335.7 Ų35.72%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-119.1121.2168-178.164.8000108.2F38 I74 P76 L182 L184 I192F38-L83 HydrophobicContact CE2-CD2 3.94Å; F38-L83 HydrophobicContact CZ-CD2 3.98Å; I74-L83 HydrophobicContact CG2-CD1 3.72Å; P76-L83 HydrophobicContact CB-CD1 4.15Å; P76-L83 HydrophobicContact CG-CD1 4.03Å; L83-L182 HydrophobicContact CB-CB 4.36Å; L83-L182 HydrophobicContact CB-CD1 4.47Å; L83-L182 HydrophobicContact CD2-CD1 4.36Å; L83-L182 PolarHBondContact N-O 2.84Å; L83-L182 WeakPolarHBondContact O-CB 3.4Å; L83-L182 PolarHBondContact O-N 3.24Å; L83-L184 HydrophobicContact CB-CD1 4.37Å; L83-I192 HydrophobicContact CB-CG2 4.26Å
84T97.8Very high95.8Very high13 Ų1339.6 Ų39.68%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-106.6128.5179.8-58.90000110.1I75 V86 K179 I180 I181I75-T84 PolarHBondContact N-O 2.9Å; I75-T84 PolarHBondContact O-N 3.37Å; T84-V86 HydrophobicContact CG2-CG2 3.92Å; T84-K179 HydrophobicContact CG2-CD 4.21Å; T84-K179 HydrophobicContact CG2-CG 3.59Å; T84-I180 CarbonylContact C-O 3.47Å; T84-I180 VanDerWaalsContact CA-O 3.31Å; T84-I180 WeakPolarHBondContact CA-O 3.15Å; T84-I181 HydrophobicContact CG2-CG1 4.28Å
85L98Very high95.6Very high4 Ų442 Ų422%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-107.6127.5168.6-169.373000108.7L42 I43 I72 D73 I74 K179 I180L42-L85 HydrophobicContact CB-CD2 3.59Å; I43-L85 HydrophobicContact CG1-CD1 4.41Å; I72-L85 HydrophobicContact CG2-CD1 3.57Å; I72-L85 HydrophobicContact CG2-CG 4.13Å; D73-L85 WeakPolarHBondContact O-CA 3.32Å; I74-L85 HydrophobicContact CD1-CD1 4.49Å; I74-L85 HydrophobicContact CG1-CD1 3.58Å; L85-K179 CarbonylContact O-C 3.57Å; L85-K179 WeakPolarHBondContact O-CA 3.34Å; L85-I180 HydrophobicContact CB-CB 4.37Å; L85-I180 PolarHBondContact N-O 2.71Å; L85-I180 PolarHBondContact O-N 2.73Å
86V97.8Very high95.5Very high31 Ų3141.9 Ų41.919%0.18823%0.232CC..EExtended strand (participates in β ladder)trans-117.9123.2176.5-174.20000108.6I72 D73 I75 T84 T178 K179I72-V86 CarbonylContact C-O 3.55Å; I72-V86 WeakPolarHBondContact CA-O 3.49Å; D73-V86 HydrophobicContact CB-CB 4.27Å; D73-V86 PolarHBondContact N-O 2.83Å; D73-V86 PolarHBondContact O-N 3.41Å; I75-V86 HydrophobicContact CD1-CG2 4.08Å; T84-V86 HydrophobicContact CG2-CG2 3.92Å; V86-T178 WeakPolarHBondContact CA-O 3.48Å; V86-K179 HydrophobicContact CG2-CB 4.48Å; V86-K179 HydrophobicContact CG2-CG 4.16Å
87D97.6Very high95.3Very high6 Ų640.4 Ų40.43%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-113.8142.1168.771.782.2000111S46 G89 G177 T178S46-D87 PolarHBondContact OG-OD2 2.86Å; D87-G89 PolarHBondContact O-N 3.42Å; D87-G89 WeakPolarHBondContact OD1-CA 3.41Å; D87-G89 PolarHBondContact OD1-N 3.15Å; D87-G177 WeakPolarHBondContact O-CA 3.44Å; D87-T178 PolarHBondContact N-O 3.41Å; D87-T178 PolarHBondContact O-N 2.84Å; D87-T178 WeakPolarHBondContact OD2-CB 3.47Å
88T97Very high95.2Very high28 Ų2841.2 Ų41.217%0.17223%0.226CC..  trans-92.728.9174.260.80000112D69 L70 K71 R176D69-T88 VanDerWaalsContact O-CB 3.26Å; D69-T88 WeakPolarHBondContact O-CB 3.48Å; D69-T88 PolarHBondContact O-OG1 2.82Å; L70-T88 WeakPolarHBondContact CA-OG1 3.06Å; K71-T88 HydrophobicContact CG-CG2 4.2Å; K71-T88 PolarHBondContact N-OG1 2.66Å; K71-T88 PolarHBondContact O-N 3.39Å; K71-T88 PolarHBondContact O-OG1 3.37Å; T88-R176 PolarHBondContact O-NE 3.04Å; T88-R176 PolarHBondContact O-NH2 3.38Å
89G96Very high95.2Very high0 Ų039.1 Ų39.10%022%0.22CC..SBendtrans-69.2-164-179.500000113.4A49 D87 G91 R176 G177A49-G89 WeakPolarHBondContact O-CA 3.34Å; D87-G89 PolarHBondContact O-N 3.42Å; D87-G89 WeakPolarHBondContact OD1-CA 3.41Å; D87-G89 PolarHBondContact OD1-N 3.15Å; G89-G91 VanDerWaalsContact C-N 3.31Å; G89-G91 PolarHBondContact O-N 3.1Å; G89-R176 WeakPolarHBondContact O-CD 3.23Å; G89-R176 VanDerWaalsContact O-CG 3.26Å; G89-R176 WeakPolarHBondContact O-CG 3.4Å; G89-R176 PolarHBondContact O-NE 3.33Å; G89-G177 VanDerWaalsContact O-CA 3.31Å; G89-G177 WeakPolarHBondContact O-CA 3.28Å; G89-G177 PolarHBondContact O-N 3.23Å
90I95.7Very high95.2Very high17 Ų1736.5 Ų36.59%0.08719%0.194CC..  trans-66.7-27.8-178.2-167169.1000114A49 K52 I53 E56 H148A49-I90 HydrophobicContact CB-CG2 4.5Å; A49-I90 PolarHBondContact O-N 3.19Å; A49-I90 VanDerWaalsContact O-N 3.09Å; K52-I90 HydrophobicContact CB-CB 4.25Å; K52-I90 HydrophobicContact CB-CD1 4.24Å; K52-I90 HydrophobicContact CB-CG2 3.92Å; K52-I90 HydrophobicContact CD-CG2 4.12Å; I53-I90 HydrophobicContact CB-CB 4.03Å; I53-I90 HydrophobicContact CD1-CG1 4.37Å; E56-I90 HydrophobicContact CG-CD1 4.44Å; E56-I90 WeakPolarHBondContact OE1-CD1 3.36Å; I90-H148 PolarHBondContact O-CD2 3.2Å; I90-H148 VanDerWaalsContact O-CD2 3.25Å
91G96.1Very high95.1Very high8 Ų832.3 Ų32.38%0.08217%0.171CC..  trans78.9-174.1-172.600000113.1G89 T146G89-G91 VanDerWaalsContact C-N 3.31Å; G89-G91 PolarHBondContact O-N 3.1Å; G91-T146 WeakPolarHBondContact CA-OG1 3.5Å
92M96.9Very high94.6Very high39 Ų3928.4 Ų28.419%0.19216%0.164CC..  trans-132.9141.2-180-72.7178.8-76.300110.8D96 L97 L101 V144 T146 T178M92-D96 HydrophobicContact CB-CB 3.81Å; M92-D96 HydrophobicContact CG-CB 4.07Å; M92-L97 HydrophobicContact CB-CD2 4.37Å; M92-L97 HydrophobicContact CB-CG 4.33Å; M92-L97 HydrophobicContact CE-CD2 3.8Å; M92-L97 HydrophobicContact SD-CD2 4.16Å; M92-L101 HydrophobicContact CE-CD2 4.45Å; M92-L101 HydrophobicContact SD-CB 4.47Å; M92-V144 HydrophobicContact CE-CG1 4.02Å; M92-T146 HydrophobicContact CB-CG2 3.94Å; M92-T146 PolarHBondContact N-OG1 3.29Å; M92-T146 WeakPolarHBondContact O-CG2 3.44Å; M92-T178 HydrophobicContact CE-CG2 4.36Å
93T96.8Very high94Very high26 Ų2630.7 Ų30.716%0.1618%0.178CC..  trans-74.6168.9169.166.70000110.6A95 D96 L97 H148 D151T93-A95 PolarHBondContact O-N 3.23Å; T93-A95 PolarHBondContact OG1-N 3.5Å; T93-D96 WeakPolarHBondContact CB-OD2 3.32Å; T93-D96 PolarHBondContact N-OD2 2.81Å; T93-D96 PolarHBondContact O-N 2.66Å; T93-D96 VanDerWaalsContact O-N 3.08Å; T93-D96 VanDerWaalsContact OG1-CG 3.26Å; T93-D96 PolarHBondContact OG1-N 3.14Å; T93-D96 VanDerWaalsContact OG1-N 3.16Å; T93-D96 PolarHBondContact OG1-OD2 3.32Å; T93-L97 PolarHBondContact O-N 3.17Å; T93-H148 HydrophobicContact CG2-CB 4.01Å; T93-D151 WeakPolarHBondContact CB-OD2 3.37Å; T93-D151 HydrophobicContact CG2-CB 4.03Å
94K95.8Very high93.5Very high95 Ų9532.2 Ų32.241%0.41319%0.185SC..Hα-helixtrans-55.9-37.8171.8-174.9179.1-177.2174.90111.9I98 D151 Y154 V166K94-I98 HydrophobicContact CG-CD1 4.32Å; K94-I98 WeakPolarHBondContact O-CG1 3.17Å; K94-I98 PolarHBondContact O-N 3.45Å; K94-D151 PolarHBondContact N-OD2 3.45Å; K94-Y154 HydrophobicContact CB-CD1 4.4Å; K94-Y154 HydrophobicContact CB-CD2 4.11Å; K94-Y154 HydrophobicContact CB-CE1 4.07Å; K94-Y154 HydrophobicContact CB-CE2 3.79Å; K94-Y154 HydrophobicContact CB-CG 4.4Å; K94-Y154 HydrophobicContact CD-CD1 4.35Å; K94-Y154 HydrophobicContact CD-CE1 3.76Å; K94-Y154 HydrophobicContact CG-CD1 4.37Å; K94-Y154 HydrophobicContact CG-CE1 4.15Å; K94-V166 HydrophobicContact CG-CG1 4.31Å
95A94.4Very high92.8Very high50 Ų5035.1 Ų35.141%0.41321%0.211SC..Hα-helixtrans-65.9-40.7177.400000111.4T93 I98 N99T93-A95 PolarHBondContact O-N 3.23Å; T93-A95 PolarHBondContact OG1-N 3.5Å; A95-I98 PolarHBondContact O-N 2.68Å; A95-N99 WeakPolarHBondContact O-CB 3.2Å; A95-N99 VanDerWaalsContact O-CG 3.27Å; A95-N99 PolarHBondContact O-N 3.18Å; A95-N99 PolarHBondContact O-ND2 3.22Å; A95-N99 VanDerWaalsContact O-ND2 3.12Å
96D93.6Very high92.2Very high51 Ų5139.3 Ų39.327%0.27323%0.229SC..Hα-helixtrans-66.9-38.8177.8-65.2-52.1000112.6M92 T93 I98 N99 N100 L101M92-D96 HydrophobicContact CB-CB 3.81Å; M92-D96 HydrophobicContact CG-CB 4.07Å; T93-D96 WeakPolarHBondContact CB-OD2 3.32Å; T93-D96 PolarHBondContact N-OD2 2.81Å; T93-D96 PolarHBondContact O-N 2.66Å; T93-D96 VanDerWaalsContact O-N 3.08Å; T93-D96 VanDerWaalsContact OG1-CG 3.26Å; T93-D96 PolarHBondContact OG1-N 3.14Å; T93-D96 VanDerWaalsContact OG1-N 3.16Å; T93-D96 PolarHBondContact OG1-OD2 3.32Å; D96-I98 VanDerWaalsContact C-N 3.27Å; D96-I98 PolarHBondContact O-N 3.42Å; D96-N99 PolarHBondContact O-N 2.94Å; D96-N100 WeakPolarHBondContact O-CA 3.26Å; D96-N100 VanDerWaalsContact O-CB 3.25Å; D96-N100 WeakPolarHBondContact O-CB 3.5Å; D96-N100 PolarHBondContact O-N 3.07Å; D96-N100 PolarHBondContact OD1-ND2 2.8Å; D96-L101 PolarHBondContact O-N 3.43Å
97L92.5Very high91.6Very high0 Ų038.8 Ų38.80%023%0.227CC..Iπ-helixtrans-57.5-41.8174.2-75.1175.2000111.6M92 T93 L101 G102 V144 T146 W156 V166M92-L97 HydrophobicContact CB-CD2 4.37Å; M92-L97 HydrophobicContact CB-CG 4.33Å; M92-L97 HydrophobicContact CE-CD2 3.8Å; M92-L97 HydrophobicContact SD-CD2 4.16Å; T93-L97 PolarHBondContact O-N 3.17Å; L97-L101 HydrophobicContact CD2-CD2 3.84Å; L97-L101 WeakPolarHBondContact O-CB 3.11Å; L97-G102 PolarHBondContact O-N 3.37Å; L97-V144 HydrophobicContact CD2-CG1 4.49Å; L97-T146 HydrophobicContact CD1-CG2 3.79Å; L97-T146 HydrophobicContact CD2-CG2 3.87Å; L97-T146 HydrophobicContact CG-CG2 3.96Å; L97-W156 HydrophobicContact CD1-CB 4.29Å; L97-W156 HydrophobicContact CD2-CB 3.99Å; L97-W156 HydrophobicContact CD2-CG 4.42Å; L97-V166 HydrophobicContact CD1-CG1 4.14Å
98I91.6Very high90.8Very high69 Ų6939.5 Ų39.535%0.35424%0.235SC..Iπ-helixtrans-76.4-48.1-179.7-62.8166.6000110.6K94 A95 D96 T103 F164 V166K94-I98 HydrophobicContact CG-CD1 4.32Å; K94-I98 WeakPolarHBondContact O-CG1 3.17Å; K94-I98 PolarHBondContact O-N 3.45Å; A95-I98 PolarHBondContact O-N 2.68Å; D96-I98 VanDerWaalsContact C-N 3.27Å; D96-I98 PolarHBondContact O-N 3.42Å; I98-T103 PolarHBondContact O-OG1 3.38Å; I98-F164 HydrophobicContact CG1-CE2 4.4Å; I98-V166 HydrophobicContact CG1-CG2 4.39Å
99N90.3Very high90.2Very high74 Ų7438.7 Ų38.740%0.39623%0.23SC..Iπ-helixtrans-86.8-24.6-167-69.7-36.9000114.2A95 D96 T103 K106A95-N99 WeakPolarHBondContact O-CB 3.2Å; A95-N99 VanDerWaalsContact O-CG 3.27Å; A95-N99 PolarHBondContact O-N 3.18Å; A95-N99 PolarHBondContact O-ND2 3.22Å; A95-N99 VanDerWaalsContact O-ND2 3.12Å; D96-N99 PolarHBondContact O-N 2.94Å; N99-T103 WeakPolarHBondContact O-CB 3.08Å; N99-T103 PolarHBondContact O-OG1 3.3Å; N99-K106 WeakPolarHBondContact O-CD 3.4Å; N99-K106 WeakPolarHBondContact O-CE 3.42Å; N99-K106 PolarHBondContact O-NZ 2.59Å
100N90.2Very high89.7Confident35 Ų3544 Ų4419%0.18725%0.253CS..Iπ-helixtrans-109.4-60.1-179.9-56.3-32.7000109.7D96 G102 T103D96-N100 WeakPolarHBondContact O-CA 3.26Å; D96-N100 VanDerWaalsContact O-CB 3.25Å; D96-N100 WeakPolarHBondContact O-CB 3.5Å; D96-N100 PolarHBondContact O-N 3.07Å; D96-N100 PolarHBondContact OD1-ND2 2.8Å; N100-G102 PolarHBondContact O-N 3.43Å; N100-T103 PolarHBondContact O-N 3.02Å
101L88.8Confident89.1Confident19 Ų1945.9 Ų45.910%0.09927%0.272CS..Iπ-helixtrans-67.9-39-175.7-167.670.1000112.3M92 D96 L97 T103 F132 Y133 V144 W156M92-L101 HydrophobicContact CE-CD2 4.45Å; M92-L101 HydrophobicContact SD-CB 4.47Å; D96-L101 PolarHBondContact O-N 3.43Å; L97-L101 HydrophobicContact CD2-CD2 3.84Å; L97-L101 WeakPolarHBondContact O-CB 3.11Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.3Å; L101-F132 HydrophobicContact CD1-CB 4.23Å; L101-F132 HydrophobicContact CD1-CD1 3.39Å; L101-F132 HydrophobicContact CD1-CD2 3.73Å; L101-F132 HydrophobicContact CD1-CE1 3.52Å; L101-F132 HydrophobicContact CD1-CE2 3.86Å; L101-F132 HydrophobicContact CD1-CG 3.49Å; L101-F132 VanDerWaalsContact CD1-CG 3.49Å; L101-F132 HydrophobicContact CD1-CZ 3.76Å; L101-F132 HydrophobicContact CD2-CE1 4.28Å; L101-F132 HydrophobicContact CD2-CZ 4.13Å; L101-F132 HydrophobicContact CG-CD1 4.13Å; L101-F132 HydrophobicContact CG-CE1 3.87Å; L101-F132 HydrophobicContact CG-CZ 4.18Å; L101-Y133 PolarHBondContact O-OH 2.93Å; L101-V144 HydrophobicContact CD2-CB 4.14Å; L101-V144 HydrophobicContact CD2-CG1 4.19Å; L101-V144 HydrophobicContact CD2-CG2 4.01Å; L101-W156 HydrophobicContact CD2-CD2 3.75Å; L101-W156 HydrophobicContact CD2-CE3 4.1Å; L101-W156 HydrophobicContact CD2-CG 3.96Å; L101-W156 HydrophobicContact CD2-CZ2 4.47Å
102G85.4Confident88.5Confident22 Ų2247.1 Ų47.123%0.22728%0.275CS..THydrogen-bonded Turntrans-80.9-1.917900000115.8L97 N100 F164L97-G102 PolarHBondContact O-N 3.37Å; N100-G102 PolarHBondContact O-N 3.43Å; G102-F164 VanDerWaalsContact CA-CE1 3.44Å
103T85.4Confident87.6Confident55 Ų5547.9 Ų47.934%0.33728%0.278SS..SBendtrans-116.5121.1-176.4-57.90000110.6I98 N99 N100 L101 K106I98-T103 PolarHBondContact O-OG1 3.38Å; N99-T103 WeakPolarHBondContact O-CB 3.08Å; N99-T103 PolarHBondContact O-OG1 3.3Å; N100-T103 PolarHBondContact O-N 3.02Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 3.3Å; T103-K106 HydrophobicContact CG2-CB 3.75Å; T103-K106 HydrophobicContact CG2-CD 4.07Å
104I85.4Confident86.8Confident34 Ų3452 Ų5217%0.17430%0.296CS..THydrogen-bonded Turntrans-68.7141.6176.9-60171.7000109.9I20 L23 M24 I27 K106 V130 Y133I20-I104 HydrophobicContact CG2-CD1 4.05Å; L23-I104 HydrophobicContact CB-CD1 4.47Å; L23-I104 HydrophobicContact CD2-CB 4.39Å; L23-I104 HydrophobicContact CD2-CD1 3.96Å; L23-I104 HydrophobicContact CD2-CG2 3.84Å; L23-I104 HydrophobicContact CG-CD1 4.16Å; L23-I104 HydrophobicContact CG-CG2 4.37Å; M24-I104 HydrophobicContact CG-CD1 3.79Å; M24-I104 HydrophobicContact SD-CD1 3.6Å; M24-I104 HydrophobicContact SD-CG1 4.08Å; I27-I104 HydrophobicContact CD1-CD1 4.32Å; I27-I104 HydrophobicContact CD1-CG2 3.62Å; I104-K106 PolarHBondContact O-N 2.77Å; I104-V130 HydrophobicContact CG2-CG1 4.23Å; I104-Y133 HydrophobicContact CG1-CE2 3.94Å
105A83.8Confident86Confident75 Ų7551.4 Ų51.462%0.6231%0.309SS*.THydrogen-bonded Turntrans62.923.9179.100000114.3F128 G129A105-F128 WeakPolarHBondContact CA-O 3.42Å; A105-G129 PolarHBondContact N-O 2.67Å; A105-G129 VanDerWaalsContact N-O 3.12Å
106K85.8Confident85Confident92 Ų9249.8 Ų49.840%0.429%0.293SS..  trans-118.1130.3171.3-172.8157.7164.5-160.90110N99 T103 I104 G129N99-K106 WeakPolarHBondContact O-CD 3.4Å; N99-K106 WeakPolarHBondContact O-CE 3.42Å; N99-K106 PolarHBondContact O-NZ 2.59Å; T103-K106 HydrophobicContact CG2-CB 3.75Å; T103-K106 HydrophobicContact CG2-CD 4.07Å; I104-K106 PolarHBondContact O-N 2.77Å; K106-G129 WeakPolarHBondContact O-CA 3.29Å
107S85.4Confident83.6Confident20 Ų2055.7 Ų55.714%0.1432%0.319CS..  trans-127.7120.9-178.21730000110.9T109 K110 A111 G126S107-T109 PolarHBondContact O-N 3Å; S107-T109 WeakPolarHBondContact OG-CB 3.33Å; S107-T109 PolarHBondContact OG-N 2.91Å; S107-T109 VanDerWaalsContact OG-N 3.09Å; S107-K110 PolarHBondContact O-N 3.16Å; S107-K110 PolarHBondContact OG-N 3.45Å; S107-A111 PolarHBondContact O-N 3Å; S107-G126 WeakPolarHBondContact CB-O 3.11Å; S107-G126 PolarHBondContact OG-O 2.71Å
108G81.1Confident81.8Confident21 Ų2159.7 Ų59.722%0.21635%0.352CS..Hα-helixtrans-65.8-23.2169.500000112.5F112G108-F112 WeakPolarHBondContact O-CB 2.98Å; G108-F112 PolarHBondContact O-N 3.08Å
109T83.9Confident79.9Confident10 Ų1060.5 Ų60.56%0.06138%0.378CS..Hα-helixtrans-67.9-41.3172.8-68.30000111.4D48 K52 S107 F112 M113 M124D48-T109 PolarHBondContact OD2-OG1 2.66Å; K52-T109 PolarHBondContact NZ-OG1 3.01Å; K52-T109 VanDerWaalsContact NZ-OG1 3.08Å; S107-T109 PolarHBondContact O-N 3Å; S107-T109 WeakPolarHBondContact OG-CB 3.33Å; S107-T109 PolarHBondContact OG-N 2.91Å; S107-T109 VanDerWaalsContact OG-N 3.09Å; T109-F112 PolarHBondContact O-N 3.38Å; T109-M113 VanDerWaalsContact O-CG 3.28Å; T109-M113 WeakPolarHBondContact O-CG 3.39Å; T109-M113 PolarHBondContact O-N 2.89Å; T109-M124 HydrophobicContact CG2-CB 3.34Å; T109-M124 HydrophobicContact CG2-CG 4.12Å; T109-M124 HydrophobicContact CG2-SD 3.7Å
110K84.2Confident78.3Confident112 Ų11258.6 Ų58.649%0.48737%0.372SS..Hα-helixtrans-62.3-47.2174.8-176.5-179.4174.6-1750111.5S107 F112 M113 E114S107-K110 PolarHBondContact O-N 3.16Å; S107-K110 PolarHBondContact OG-N 3.45Å; K110-F112 VanDerWaalsContact C-N 3.29Å; K110-F112 PolarHBondContact O-N 2.92Å; K110-M113 PolarHBondContact O-N 2.89Å; K110-E114 WeakPolarHBondContact CE-OE1 3.41Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.25Å
111A83.7Confident76.9Confident57 Ų5764.8 Ų64.847%0.47141%0.405SS..Hα-helixtrans-60.5-39.6177.600000112.2S107 E114 A115S107-A111 PolarHBondContact O-N 3Å; A111-E114 PolarHBondContact O-N 2.54Å; A111-A115 PolarHBondContact O-N 3.45Å; A111-A115 VanDerWaalsContact O-N 3.08Å
112F82.9Confident75.8Confident34 Ų3465 Ų6515%0.14941%0.406CS..Hα-helixtrans-64.4-45.5175.1-166.9-98.3000111.7K52 Y55 G108 T109 K110 E114 A115 L116 M124K52-F112 HydrophobicContact CB-CE1 4.45Å; K52-F112 HydrophobicContact CB-CE2 4.45Å; K52-F112 HydrophobicContact CB-CZ 4.18Å; K52-F112 HydrophobicContact CD-CG 4.42Å; K52-F112 HydrophobicContact CG-CD1 3.96Å; K52-F112 HydrophobicContact CG-CD2 4.22Å; K52-F112 HydrophobicContact CG-CE1 3.86Å; K52-F112 HydrophobicContact CG-CE2 4.17Å; K52-F112 HydrophobicContact CG-CG 4.09Å; K52-F112 HydrophobicContact CG-CZ 3.97Å; Y55-F112 HydrophobicContact CD1-CE1 4.25Å; Y55-F112 AromaticContact CD1-CZ 3.68Å; Y55-F112 HydrophobicContact CD1-CZ 3.68Å; Y55-F112 HydrophobicContact CE1-CZ 4.47Å; Y55-F112 HydrophobicContact CG-CZ 4.3Å; G108-F112 WeakPolarHBondContact O-CB 2.98Å; G108-F112 PolarHBondContact O-N 3.08Å; T109-F112 PolarHBondContact O-N 3.38Å; K110-F112 VanDerWaalsContact C-N 3.29Å; K110-F112 PolarHBondContact O-N 2.92Å; F112-E114 VanDerWaalsContact C-N 3.29Å; F112-E114 PolarHBondContact O-N 3.29Å; F112-A115 WeakPolarHBondContact O-CB 3.37Å; F112-A115 PolarHBondContact O-N 2.88Å; F112-L116 HydrophobicContact CD1-CD1 3.4Å; F112-L116 VanDerWaalsContact CD1-CD1 3.4Å; F112-L116 HydrophobicContact CD1-CD2 4.44Å; F112-L116 HydrophobicContact CD1-CG 3.79Å; F112-L116 HydrophobicContact CE1-CD1 3.39Å; F112-L116 HydrophobicContact CE1-CD2 3.94Å; F112-L116 HydrophobicContact CE1-CG 3.78Å; F112-L116 HydrophobicContact CZ-CD1 4.47Å; F112-L116 HydrophobicContact CZ-CD2 4.29Å; F112-L116 HydrophobicContact CZ-CG 4.49Å; F112-L116 VanDerWaalsContact O-CG 3.27Å; F112-L116 WeakPolarHBondContact O-CG 3.46Å; F112-L116 PolarHBondContact O-N 3.48Å; F112-M124 HydrophobicContact CD1-CE 3.16Å; F112-M124 HydrophobicContact CD1-SD 3.96Å; F112-M124 HydrophobicContact CE1-CE 3.24Å; F112-M124 HydrophobicContact CG-CE 4.28Å; F112-M124 HydrophobicContact CZ-CE 4.43Å
113M78.5Confident74.7Confident54 Ų5464.9 Ų64.927%0.26640%0.402SS..Hα-helixtrans-59.6-37.6175.5-70.9-66.5-57.200112.7T109 K110 A115 L116 I122 M124T109-M113 VanDerWaalsContact O-CG 3.28Å; T109-M113 WeakPolarHBondContact O-CG 3.39Å; T109-M113 PolarHBondContact O-N 2.89Å; K110-M113 PolarHBondContact O-N 2.89Å; M113-A115 VanDerWaalsContact C-N 3.34Å; M113-L116 PolarHBondContact O-N 3.48Å; M113-L116 HydrophobicContact SD-CD1 4.25Å; M113-I122 WeakPolarHBondContact CE-O 3.21Å; M113-M124 HydrophobicContact CG-CB 4.4Å; M113-M124 HydrophobicContact SD-CB 4.1Å; M113-M124 HydrophobicContact SD-CG 4.09Å
114E80.9Confident74.4Confident112 Ų11262.2 Ų62.252%0.52339%0.386SS..Hα-helixtrans-66-36.1174.2-72.5171.8-176.200112K110 A111 F112 L116 Q117K110-E114 WeakPolarHBondContact CE-OE1 3.41Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.25Å; A111-E114 PolarHBondContact O-N 2.54Å; F112-E114 VanDerWaalsContact C-N 3.29Å; F112-E114 PolarHBondContact O-N 3.29Å; E114-L116 VanDerWaalsContact C-N 3.33Å; E114-Q117 WeakPolarHBondContact O-CG 3.5Å
115A78.1Confident73.8Confident84 Ų8461.3 Ų61.369%0.69438%0.381SS*.Hα-helixtrans-71.9-26174.900000113.1A111 F112 M113 Q117A111-A115 PolarHBondContact O-N 3.45Å; A111-A115 VanDerWaalsContact O-N 3.08Å; F112-A115 WeakPolarHBondContact O-CB 3.37Å; F112-A115 PolarHBondContact O-N 2.88Å; M113-A115 VanDerWaalsContact C-N 3.34Å; A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 PolarHBondContact O-N 2.88Å
116L73.4Confident73.5Confident16 Ų1658 Ų588%0.08436%0.355CS..THydrogen-bonded Turntrans-818-178-74.8-179.8000115.4Y55 F112 M113 E114 A118 A120 I122 M124Y55-L116 HydrophobicContact CD1-CD2 3.62Å; Y55-L116 HydrophobicContact CD2-CD2 4.3Å; Y55-L116 HydrophobicContact CE1-CD2 3.12Å; Y55-L116 HydrophobicContact CE2-CD2 3.85Å; Y55-L116 HydrophobicContact CG-CD2 4.14Å; Y55-L116 WeakPolarHBondContact OH-CD2 3.41Å; F112-L116 HydrophobicContact CD1-CD1 3.4Å; F112-L116 VanDerWaalsContact CD1-CD1 3.4Å; F112-L116 HydrophobicContact CD1-CD2 4.44Å; F112-L116 HydrophobicContact CD1-CG 3.79Å; F112-L116 HydrophobicContact CE1-CD1 3.39Å; F112-L116 HydrophobicContact CE1-CD2 3.94Å; F112-L116 HydrophobicContact CE1-CG 3.78Å; F112-L116 HydrophobicContact CZ-CD1 4.47Å; F112-L116 HydrophobicContact CZ-CD2 4.29Å; F112-L116 HydrophobicContact CZ-CG 4.49Å; F112-L116 VanDerWaalsContact O-CG 3.27Å; F112-L116 WeakPolarHBondContact O-CG 3.46Å; F112-L116 PolarHBondContact O-N 3.48Å; M113-L116 PolarHBondContact O-N 3.48Å; M113-L116 HydrophobicContact SD-CD1 4.25Å; E114-L116 VanDerWaalsContact C-N 3.33Å; L116-A118 CarbonylContact O-C 3.53Å; L116-A118 PolarHBondContact O-N 2.63Å; L116-A120 HydrophobicContact CD2-CB 4.27Å; L116-I122 HydrophobicContact CD1-CB 4.02Å; L116-I122 HydrophobicContact CD1-CD1 3.72Å; L116-I122 HydrophobicContact CD1-CG1 4.42Å; L116-I122 HydrophobicContact CD1-CG2 4.37Å; L116-I122 HydrophobicContact CD2-CD1 4.15Å; L116-M124 HydrophobicContact CD1-CE 4.36Å
117Q64.3Low73.1Confident175 Ų17558.1 Ų58.182%0.81836%0.356SS*.THydrogen-bonded Turntrans-55.2-10.1-177.3-77.3-172.7-0.100115.1E114 A115 G119E114-Q117 WeakPolarHBondContact O-CG 3.5Å; A115-Q117 VanDerWaalsContact C-N 3.31Å; A115-Q117 PolarHBondContact O-N 2.88Å; Q117-G119 PolarHBondContact O-N 3.04Å
118A55.3Low72.9Confident84 Ų8460.3 Ų60.369%0.69436%0.364SS*.THydrogen-bonded Turntrans-89.377.117000000112.9L116 A120L116-A118 CarbonylContact O-C 3.53Å; L116-A118 PolarHBondContact O-N 2.63Å; A118-A120 PolarHBondContact O-N 3.47Å; A118-A120 VanDerWaalsContact O-N 3.17Å
119G51Low73Confident86 Ų8660.2 Ų60.289%0.88736%0.362SS*.THydrogen-bonded Turntrans66.920.8151.300000119.1Q117Q117-G119 PolarHBondContact O-N 3.04Å
120A57.7Low73.2Confident34 Ų3460.2 Ų60.228%0.28136%0.362SS..  trans-94.3132.9177.600000112.6Y55 L116 A118 I122Y55-A120 HydrophobicContact CD2-CB 4.2Å; Y55-A120 HydrophobicContact CE2-CB 3.47Å; Y55-A120 VanDerWaalsContact CE2-CB 3.47Å; L116-A120 HydrophobicContact CD2-CB 4.27Å; A118-A120 PolarHBondContact O-N 3.47Å; A118-A120 VanDerWaalsContact O-N 3.17Å; A120-I122 HydrophobicContact CB-CD1 3.98Å; A120-I122 HydrophobicContact CB-CG1 4.14Å; A120-I122 PolarHBondContact O-N 3.11Å
121D59.8Low73.4Confident164 Ų16455.3 Ų55.388%0.87734%0.343SS*.  trans-78.667.8173.8-170.616.4000110.5
122I65.3Low73.8Confident23 Ų2353.5 Ų53.512%0.11833%0.325CS..  trans-124.2119.7179.7-55170.2000110.2D51 Y55 M113 L116 A120 M124D51-I122 HydrophobicContact CB-CG2 4.4Å; Y55-I122 VanDerWaalsContact CB-CD1 3.44Å; Y55-I122 HydrophobicContact CD1-CD1 4.25Å; Y55-I122 HydrophobicContact CD2-CD1 3.12Å; Y55-I122 HydrophobicContact CD2-CG1 4.3Å; Y55-I122 HydrophobicContact CE2-CD1 3.82Å; Y55-I122 HydrophobicContact CG-CD1 3.31Å; M113-I122 WeakPolarHBondContact CE-O 3.21Å; L116-I122 HydrophobicContact CD1-CB 4.02Å; L116-I122 HydrophobicContact CD1-CD1 3.72Å; L116-I122 HydrophobicContact CD1-CG1 4.42Å; L116-I122 HydrophobicContact CD1-CG2 4.37Å; L116-I122 HydrophobicContact CD2-CD1 4.15Å; A120-I122 HydrophobicContact CB-CD1 3.98Å; A120-I122 HydrophobicContact CB-CG1 4.14Å; A120-I122 PolarHBondContact O-N 3.11Å; I122-M124 HydrophobicContact CG2-CE 3.44Å; I122-M124 VanDerWaalsContact CG2-CE 3.44Å; I122-M124 HydrophobicContact CG2-CG 3.85Å
123S63.6Low74.3Confident20 Ų2052.6 Ų52.614%0.1432%0.321CS..  trans-115.896-178.5-167.30000109.9R356 E382S123-R356 WeakPolarHBondContact OG-CD 3.32Å; S123-R356 VanDerWaalsContact OG-CG 3.28Å; S123-R356 WeakPolarHBondContact OG-CG 3.31Å; S123-R356 VanDerWaalsContact OG-CZ 3.22Å; S123-R356 PolarHBondContact OG-NE 3.03Å; S123-R356 VanDerWaalsContact OG-NE 3.14Å; S123-R356 PolarHBondContact OG-NH1 2.79Å; S123-E382 WeakPolarHBondContact CB-OE2 3.35Å; S123-E382 PolarHBondContact OG-OE2 3.44Å
124M78.1Confident74.9Confident0 Ų050 Ų500%031%0.308CS..  trans-100.8146.2179.6-60.6-173.5-165.300113.5D48 D51 K52 T109 F112 M113 L116 I122 R356D48-M124 WeakPolarHBondContact OD1-CA 3.43Å; D48-M124 WeakPolarHBondContact OD1-CB 3.39Å; D51-M124 HydrophobicContact CB-CE 4.33Å; K52-M124 HydrophobicContact CG-CE 3.66Å; K52-M124 HydrophobicContact CG-SD 4.1Å; T109-M124 HydrophobicContact CG2-CB 3.34Å; T109-M124 HydrophobicContact CG2-CG 4.12Å; T109-M124 HydrophobicContact CG2-SD 3.7Å; F112-M124 HydrophobicContact CD1-CE 3.16Å; F112-M124 HydrophobicContact CD1-SD 3.96Å; F112-M124 HydrophobicContact CE1-CE 3.24Å; F112-M124 HydrophobicContact CG-CE 4.28Å; F112-M124 HydrophobicContact CZ-CE 4.43Å; M113-M124 HydrophobicContact CG-CB 4.4Å; M113-M124 HydrophobicContact SD-CB 4.1Å; M113-M124 HydrophobicContact SD-CG 4.09Å; L116-M124 HydrophobicContact CD1-CE 4.36Å; I122-M124 HydrophobicContact CG2-CE 3.44Å; I122-M124 VanDerWaalsContact CG2-CE 3.44Å; I122-M124 HydrophobicContact CG2-CG 3.85Å; M124-R356 PolarHBondContact O-NH1 3.09Å
125I73.4Confident75.6Confident15 Ų1544.7 Ų44.78%0.07728%0.283CS..  trans-96.9-33.6-166.6-63.1175.2000111.8D48 Q127 R356 V358 R390D48-I125 PolarHBondContact OD1-N 2.85Å; I125-Q127 VanDerWaalsContact C-N 3.3Å; I125-Q127 PolarHBondContact O-N 3.47Å; I125-R356 HydrophobicContact CD1-CB 3.76Å; I125-R356 WeakPolarHBondContact CD1-O 3.31Å; I125-R356 HydrophobicContact CG1-CB 3.65Å; I125-R356 HydrophobicContact CG1-CG 4.27Å; I125-V358 HydrophobicContact CD1-CB 3.85Å; I125-V358 HydrophobicContact CD1-CG2 3.17Å; I125-R390 VanDerWaalsContact O-CZ 3.22Å; I125-R390 PolarHBondContact O-NH1 3.19Å; I125-R390 PolarHBondContact O-NH2 3.21Å
126G76.2Confident76.4Confident6 Ų641 Ų416%0.06225%0.251CS..  trans-68.646.1-16800000118.3D48 S107D48-G126 VanDerWaalsContact OD2-CA 3.31Å; D48-G126 WeakPolarHBondContact OD2-CA 3.39Å; D48-G126 PolarHBondContact OD2-N 3.07Å; S107-G126 WeakPolarHBondContact CB-O 3.11Å; S107-G126 PolarHBondContact OG-O 2.71Å
127Q77.9Confident77.4Confident93 Ų9340.9 Ų40.944%0.43525%0.25SS..  trans-77.1-27.1-170.7-60.7-177.37.200116.1I125I125-Q127 VanDerWaalsContact C-N 3.3Å; I125-Q127 PolarHBondContact O-N 3.47Å
128F81.8Confident78.9Confident67 Ų6732.5 Ų32.529%0.29421%0.211SC..SBendtrans-78.8-27.5-171-62.2-71.2000115.2A105 V130 R390A105-F128 WeakPolarHBondContact CA-O 3.42Å; F128-V130 HydrophobicContact CB-CG2 4Å; F128-R390 HydrophobicContact CE2-CG 4.33Å
129G83.9Confident80.8Confident18 Ų1828.6 Ų28.619%0.18618%0.179CC..SBendtrans71.427.4-177.600000114.8A105 K106A105-G129 PolarHBondContact N-O 2.67Å; A105-G129 VanDerWaalsContact N-O 3.12Å; K106-G129 WeakPolarHBondContact O-CA 3.29Å
130V87.6Confident83Confident10 Ų1029.6 Ų29.66%0.06116%0.161CC..  trans-127.2-13.6176.7-60.60000114.2I27 I104 F128 F132 Y133 I388I27-V130 HydrophobicContact CD1-CG1 4.26Å; I104-V130 HydrophobicContact CG2-CG1 4.23Å; F128-V130 HydrophobicContact CB-CG2 4Å; V130-F132 VanDerWaalsContact C-N 3.34Å; V130-F132 PolarHBondContact O-N 3.3Å; V130-Y133 PolarHBondContact O-N 3.49Å; V130-I388 HydrophobicContact CG2-CG1 4.43Å
131G87.6Confident84.8Confident9 Ų930.9 Ų30.99%0.09316%0.16CC..G310 helixtrans-60.8-36.4-173.500000114E41 Y133 S134E41-G131 WeakPolarHBondContact OE2-CA 3.33Å; G131-Y133 VanDerWaalsContact C-N 3.28Å; G131-Y133 PolarHBondContact O-N 3.22Å; G131-S134 VanDerWaalsContact O-CB 3.28Å; G131-S134 WeakPolarHBondContact O-CB 3.48Å; G131-S134 PolarHBondContact O-N 3.26Å; G131-S134 VanDerWaalsContact O-N 3.12Å; G131-S134 PolarHBondContact O-OG 3.22Å
132F93Very high86.6Confident20 Ų2023 Ų239%0.08812%0.118CC..G310 helixtrans-56.4-40.1177.6171.2-106.1000112.9L42 L101 V130 S134 A135 V142 V144 W156L42-F132 HydrophobicContact CD2-CD2 4.18Å; L101-F132 HydrophobicContact CD1-CB 4.23Å; L101-F132 HydrophobicContact CD1-CD1 3.39Å; L101-F132 HydrophobicContact CD1-CD2 3.73Å; L101-F132 HydrophobicContact CD1-CE1 3.52Å; L101-F132 HydrophobicContact CD1-CE2 3.86Å; L101-F132 HydrophobicContact CD1-CG 3.49Å; L101-F132 VanDerWaalsContact CD1-CG 3.49Å; L101-F132 HydrophobicContact CD1-CZ 3.76Å; L101-F132 HydrophobicContact CD2-CE1 4.28Å; L101-F132 HydrophobicContact CD2-CZ 4.13Å; L101-F132 HydrophobicContact CG-CD1 4.13Å; L101-F132 HydrophobicContact CG-CE1 3.87Å; L101-F132 HydrophobicContact CG-CZ 4.18Å; V130-F132 VanDerWaalsContact C-N 3.34Å; V130-F132 PolarHBondContact O-N 3.3Å; F132-S134 PolarHBondContact O-N 3.42Å; F132-S134 VanDerWaalsContact O-N 3.15Å; F132-A135 VanDerWaalsContact O-CB 3.26Å; F132-A135 WeakPolarHBondContact O-CB 3.48Å; F132-A135 PolarHBondContact O-N 3.19Å; F132-A135 VanDerWaalsContact O-N 3.07Å; F132-V142 HydrophobicContact CE2-CG1 4.12Å; F132-V142 HydrophobicContact CZ-CG1 3.83Å; F132-V144 HydrophobicContact CE2-CG2 3.76Å; F132-V144 HydrophobicContact CZ-CG2 3.69Å; F132-W156 AromaticContact CE1-CH2 3.8Å; F132-W156 HydrophobicContact CE1-CH2 3.8Å; F132-W156 HydrophobicContact CE1-CZ2 4.49Å; F132-W156 HydrophobicContact CE1-CZ3 4.05Å; F132-W156 HydrophobicContact CZ-CH2 4.12Å; F132-W156 AromaticContact CZ-CZ3 3.86Å; F132-W156 HydrophobicContact CZ-CZ3 3.86Å
133Y92.2Very high88.2Confident15 Ų1522.6 Ų22.66%0.05912%0.116CC..G310 helixtrans-69.7-12.5-176.9-58.2-70.8000113.5M24 L101 I104 V130 G131 A135 Y136M24-Y133 HydrophobicContact CE-CD1 3.49Å; M24-Y133 VanDerWaalsContact CE-CD1 3.49Å; M24-Y133 HydrophobicContact CE-CE1 4.09Å; M24-Y133 HydrophobicContact CE-CG 3.98Å; M24-Y133 HydrophobicContact SD-CD1 3.71Å; M24-Y133 HydrophobicContact SD-CE1 3.86Å; M24-Y133 HydrophobicContact SD-CG 4.04Å; L101-Y133 PolarHBondContact O-OH 2.93Å; I104-Y133 HydrophobicContact CG1-CE2 3.94Å; V130-Y133 PolarHBondContact O-N 3.49Å; G131-Y133 VanDerWaalsContact C-N 3.28Å; G131-Y133 PolarHBondContact O-N 3.22Å; Y133-A135 PolarHBondContact O-N 3.24Å; Y133-Y136 HydrophobicContact CD1-CE2 4.25Å; Y133-Y136 PolarHBondContact O-N 2.91Å
134S92.3Very high89.8Confident0 Ų021.8 Ų21.80%011%0.11CC..G310 helixtrans-61.5-19.6169.670.50000112.8F38 G131 F132 Y136 L137F38-S134 WeakPolarHBondContact CB-O 3.4Å; G131-S134 VanDerWaalsContact O-CB 3.28Å; G131-S134 WeakPolarHBondContact O-CB 3.48Å; G131-S134 PolarHBondContact O-N 3.26Å; G131-S134 VanDerWaalsContact O-N 3.12Å; G131-S134 PolarHBondContact O-OG 3.22Å; F132-S134 PolarHBondContact O-N 3.42Å; F132-S134 VanDerWaalsContact O-N 3.15Å; S134-Y136 PolarHBondContact O-N 3.19Å; S134-L137 WeakPolarHBondContact O-CB 3.22Å; S134-L137 WeakPolarHBondContact O-CD1 3.13Å; S134-L137 WeakPolarHBondContact O-CG 3.43Å; S134-L137 PolarHBondContact O-N 2.8Å
135A95.5Very high90.8Very high0 Ų022.8 Ų22.80%012%0.116CC..G310 helixtrans-53.9-35.2172.300000112.7F132 Y133 L137 V138 A139 V142 L182F132-A135 VanDerWaalsContact O-CB 3.26Å; F132-A135 WeakPolarHBondContact O-CB 3.48Å; F132-A135 PolarHBondContact O-N 3.19Å; F132-A135 VanDerWaalsContact O-N 3.07Å; Y133-A135 PolarHBondContact O-N 3.24Å; A135-L137 PolarHBondContact O-N 3.02Å; A135-V138 WeakPolarHBondContact O-CG2 3.44Å; A135-V138 PolarHBondContact O-N 2.93Å; A135-A139 VanDerWaalsContact O-CB 3.29Å; A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 2.87Å; A135-V142 HydrophobicContact CB-CG2 3.95Å; A135-L182 HydrophobicContact CB-CD2 3.84Å
136Y94.9Very high92Very high6 Ų622.1 Ų22.12%0.02411%0.112CC..G310 helixtrans-74.8-3.7179-63.7-77.7000114.3M24 I28 Y133 S134 V138 A139 V142 W156 S158 A160 K185M24-Y136 HydrophobicContact CE-CD2 4.49Å; I28-Y136 HydrophobicContact CD1-CG 4.25Å; Y133-Y136 HydrophobicContact CD1-CE2 4.25Å; Y133-Y136 PolarHBondContact O-N 2.91Å; S134-Y136 PolarHBondContact O-N 3.19Å; Y136-V138 PolarHBondContact O-N 2.87Å; Y136-A139 WeakPolarHBondContact CA-O 3.2Å; Y136-V142 HydrophobicContact CD1-CG2 4.06Å; Y136-V142 HydrophobicContact CE1-CB 4.11Å; Y136-V142 HydrophobicContact CE1-CG2 3.64Å; Y136-V142 HydrophobicContact CE2-CG2 4.19Å; Y136-W156 WeakPolarHBondContact OH-CH2 3.46Å; Y136-S158 WeakPolarHBondContact OH-CB 3.31Å; Y136-S158 PolarHBondContact OH-O 3.41Å; Y136-S158 VanDerWaalsContact OH-O 3.13Å; Y136-A160 HydrophobicContact CD1-CB 3.68Å; Y136-A160 HydrophobicContact CD2-CB 4.04Å; Y136-A160 HydrophobicContact CE1-CB 3.79Å; Y136-A160 HydrophobicContact CE2-CB 4.16Å; Y136-A160 HydrophobicContact CG-CB 3.81Å; Y136-K185 PolarHBondContact O-NZ 3.18Å
137L93.3Very high93Very high13 Ų1324 Ų247%0.06812%0.118CC..G310 helixtrans-58.7-43.8166.4-71.5167.7000110.1I28 Y32 K35 I37 S134 A135 K185I28-L137 HydrophobicContact CG2-CD2 4.37Å; I28-L137 WeakPolarHBondContact O-CD2 3.5Å; Y32-L137 HydrophobicContact CD2-CD1 3.97Å; Y32-L137 HydrophobicContact CG-CD1 4.12Å; K35-L137 HydrophobicContact CB-CB 4.48Å; K35-L137 HydrophobicContact CG-CB 4.4Å; I37-L137 HydrophobicContact CD1-CD1 3.81Å; I37-L137 HydrophobicContact CG1-CD1 4.1Å; S134-L137 WeakPolarHBondContact O-CB 3.22Å; S134-L137 WeakPolarHBondContact O-CD1 3.13Å; S134-L137 WeakPolarHBondContact O-CG 3.43Å; S134-L137 PolarHBondContact O-N 2.8Å; A135-L137 PolarHBondContact O-N 3.02Å; L137-K185 PolarHBondContact O-NZ 3.35Å
138V95.8Very high93.9Very high0 Ų020.4 Ų20.40%010%0.102CC..THydrogen-bonded Turntrans-110.7-23.8-174.1-59.10000113.5K35 F38 A135 Y136 L184 K185 Q188 Y191K35-V138 HydrophobicContact CB-CG1 4.08Å; F38-V138 HydrophobicContact CB-CG2 4.34Å; F38-V138 HydrophobicContact CD1-CB 4.41Å; F38-V138 HydrophobicContact CD1-CG1 3.78Å; F38-V138 HydrophobicContact CD1-CG2 3.73Å; F38-V138 HydrophobicContact CD2-CG2 3.68Å; F38-V138 HydrophobicContact CE1-CG1 4.03Å; F38-V138 HydrophobicContact CE1-CG2 3.91Å; F38-V138 HydrophobicContact CE2-CG2 3.88Å; F38-V138 HydrophobicContact CG-CG1 4.37Å; F38-V138 HydrophobicContact CG-CG2 3.61Å; F38-V138 HydrophobicContact CZ-CG2 3.98Å; A135-V138 WeakPolarHBondContact O-CG2 3.44Å; A135-V138 PolarHBondContact O-N 2.93Å; Y136-V138 PolarHBondContact O-N 2.87Å; V138-L184 HydrophobicContact CB-CD2 4.34Å; V138-L184 HydrophobicContact CG2-CD2 3.99Å; V138-K185 PolarHBondContact O-N 3.43Å; V138-Q188 HydrophobicContact CB-CB 4.24Å; V138-Q188 HydrophobicContact CB-CG 4.31Å; V138-Y191 HydrophobicContact CB-CD2 4.31Å; V138-Y191 HydrophobicContact CG1-CD2 3.92Å; V138-Y191 HydrophobicContact CG1-CE2 3.7Å
139A96.7Very high94.5Very high1 Ų119.3 Ų19.31%0.00810%0.099CC..EExtended strand (participates in β ladder)trans-100.6142.4-178.900000112.9A135 Y136 V142 L182 Y183 K185A135-A139 VanDerWaalsContact O-CB 3.29Å; A135-A139 WeakPolarHBondContact O-CB 3.4Å; A135-A139 PolarHBondContact O-N 2.87Å; Y136-A139 WeakPolarHBondContact CA-O 3.2Å; A139-V142 HydrophobicContact CB-CG2 4Å; A139-L182 HydrophobicContact CB-CB 4.16Å; A139-L182 HydrophobicContact CB-CD2 4.37Å; A139-Y183 CarbonylContact C-O 3.55Å; A139-Y183 WeakPolarHBondContact CA-O 3.22Å; A139-Y183 WeakPolarHBondContact CB-O 3.26Å; A139-K185 WeakPolarHBondContact O-CE 3.3Å
140E95.5Very high95Very high108 Ų10823.8 Ų23.851%0.50512%0.119SC..EExtended strand (participates in β ladder)trans-79.9-33.9167.4-94.8161.4-142.900111.9Y183 K185E140-Y183 PolarHBondContact N-O 2.97Å; E140-K185 HydrophobicContact CB-CG 4.47Å; E140-K185 HydrophobicContact CG-CG 3.68Å; E140-K185 WeakPolarHBondContact OE1-CA 3.4Å
141K96.7Very high95.5Very high60 Ų6025.4 Ų25.426%0.26113%0.127SC..EExtended strand (participates in β ladder)trans-144.3140.4-176.6-170.2178.776.2157.80109.9E157 Y183K141-E157 HydrophobicContact CD-CG 4.35Å; K141-E157 VanDerWaalsContact CD-OE1 3.28Å; K141-E157 WeakPolarHBondContact CD-OE1 3.34Å; K141-E157 WeakPolarHBondContact CE-OE1 3.49Å; K141-E157 IonicContact NZ-OE1 2.78Å; K141-E157 PolarHBondContact NZ-OE1 3.28Å; K141-Y183 HydrophobicContact CB-CD2 4.15Å; K141-Y183 HydrophobicContact CB-CG 4.29Å; K141-Y183 HydrophobicContact CG-CD2 4.38Å; K141-Y183 WeakPolarHBondContact O-CB 3.42Å; K141-Y183 PolarHBondContact O-N 2.95Å
142V97.9Very high95.8Very high0 Ų030.6 Ų30.60%015%0.149CC..EExtended strand (participates in β ladder)trans-123.5129.6176.6-178.30000109F132 A135 Y136 A139 V144 W156 S158 I180 I181 L182F132-V142 HydrophobicContact CE2-CG1 4.12Å; F132-V142 HydrophobicContact CZ-CG1 3.83Å; A135-V142 HydrophobicContact CB-CG2 3.95Å; Y136-V142 HydrophobicContact CD1-CG2 4.06Å; Y136-V142 HydrophobicContact CE1-CB 4.11Å; Y136-V142 HydrophobicContact CE1-CG2 3.64Å; Y136-V142 HydrophobicContact CE2-CG2 4.19Å; A139-V142 HydrophobicContact CB-CG2 4Å; V142-V144 HydrophobicContact CG1-CG2 4.05Å; V142-W156 HydrophobicContact CB-CZ3 4.44Å; V142-W156 HydrophobicContact CG1-CZ3 4.48Å; V142-S158 PolarHBondContact N-O 3.41Å; V142-S158 PolarHBondContact O-N 2.98Å; V142-S158 VanDerWaalsContact O-N 3.12Å; V142-I180 HydrophobicContact CG1-CG2 4.04Å; V142-I181 WeakPolarHBondContact CA-O 3.26Å; V142-L182 HydrophobicContact CG1-CD2 4.04Å; V142-L182 HydrophobicContact CG2-CD2 3.83Å
143V98Very high96.1Very high14 Ų1430.7 Ų30.79%0.08515%0.15CC..EExtended strand (participates in β ladder)trans-115.9129172.2178.40000108.2I145 W156 E157 I181 Y183V143-I145 HydrophobicContact CG1-CG1 4.1Å; V143-W156 CarbonylContact C-O 3.58Å; V143-W156 WeakPolarHBondContact CA-O 3.32Å; V143-E157 HydrophobicContact CG2-CB 4.19Å; V143-E157 HydrophobicContact CG2-CG 3.88Å; V143-I181 HydrophobicContact CB-CB 4.26Å; V143-I181 PolarHBondContact N-O 3.07Å; V143-I181 PolarHBondContact O-N 2.81Å; V143-Y183 HydrophobicContact CB-CE2 4.37Å; V143-Y183 HydrophobicContact CG2-CD2 4.44Å; V143-Y183 HydrophobicContact CG2-CE2 3.71Å
144V98.1Very high96.3Very high2 Ų231 Ų311%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-118.3113.3178.6-179.20000108.1M92 L97 L101 F132 V142 W156 T178 K179 I180M92-V144 HydrophobicContact CE-CG1 4.02Å; L97-V144 HydrophobicContact CD2-CG1 4.49Å; L101-V144 HydrophobicContact CD2-CB 4.14Å; L101-V144 HydrophobicContact CD2-CG1 4.19Å; L101-V144 HydrophobicContact CD2-CG2 4.01Å; F132-V144 HydrophobicContact CE2-CG2 3.76Å; F132-V144 HydrophobicContact CZ-CG2 3.69Å; V142-V144 HydrophobicContact CG1-CG2 4.05Å; V144-W156 HydrophobicContact CB-CB 4.25Å; V144-W156 HydrophobicContact CB-CE3 4.21Å; V144-W156 HydrophobicContact CG2-CE3 3.94Å; V144-W156 HydrophobicContact CG2-CZ3 4.38Å; V144-W156 PolarHBondContact N-O 3.15Å; V144-W156 PolarHBondContact O-N 2.93Å; V144-T178 HydrophobicContact CG1-CG2 3.41Å; V144-T178 VanDerWaalsContact CG1-CG2 3.41Å; V144-K179 WeakPolarHBondContact CA-O 3.47Å; V144-I180 HydrophobicContact CG2-CG1 4.47Å; V144-I180 HydrophobicContact CG2-CG2 4.4Å
145I98.3Very high96.6Very high22 Ų2231.3 Ų31.311%0.11315%0.153CC..EExtended strand (participates in β ladder)trans-105126.1175-52.7175000107.1V143 Q153 Y154 A155 D169 I174 T178 K179 I181V143-I145 HydrophobicContact CG1-CG1 4.1Å; I145-Q153 HydrophobicContact CG2-CG 3.94Å; I145-Y154 WeakPolarHBondContact CA-O 3.34Å; I145-A155 HydrophobicContact CG1-CB 4.27Å; I145-D169 HydrophobicContact CG2-CB 4.38Å; I145-D169 WeakPolarHBondContact CG2-OD2 3.44Å; I145-I174 HydrophobicContact CB-CD1 4.09Å; I145-I174 HydrophobicContact CG2-CD1 3.64Å; I145-T178 CarbonylContact O-C 3.52Å; I145-T178 WeakPolarHBondContact O-CA 3.44Å; I145-T178 WeakPolarHBondContact O-CG2 3.36Å; I145-K179 HydrophobicContact CB-CB 4.34Å; I145-K179 PolarHBondContact N-O 3.48Å; I145-K179 PolarHBondContact O-N 3.48Å; I145-I181 HydrophobicContact CD1-CD1 4.08Å
146T98Very high96.7Very high0 Ų031.5 Ų31.50%015%0.154CC..EExtended strand (participates in β ladder)trans-140.5147.3-173.7-168.30000111.5G91 M92 L97 Q153 Y154 G177 T178G91-T146 WeakPolarHBondContact CA-OG1 3.5Å; M92-T146 HydrophobicContact CB-CG2 3.94Å; M92-T146 PolarHBondContact N-OG1 3.29Å; M92-T146 WeakPolarHBondContact O-CG2 3.44Å; L97-T146 HydrophobicContact CD1-CG2 3.79Å; L97-T146 HydrophobicContact CD2-CG2 3.87Å; L97-T146 HydrophobicContact CG-CG2 3.96Å; T146-Q153 WeakPolarHBondContact O-CA 3.18Å; T146-Y154 PolarHBondContact N-O 2.75Å; T146-Y154 PolarHBondContact O-N 2.94Å; T146-Y154 VanDerWaalsContact O-N 3.08Å; T146-G177 WeakPolarHBondContact CA-O 3.25Å; T146-G177 PolarHBondContact OG1-O 2.93Å; T146-T178 PolarHBondContact OG1-OG1 3.41Å
147K97.3Very high96.8Very high45 Ų4533.9 Ų33.920%0.19617%0.165CC..EExtended strand (participates in β ladder)trans-133.2109.5174.2178.766173.4740109.2D151 Q153 I174 R176 G177K147-D151 WeakPolarHBondContact CD-O 3.45Å; K147-D151 WeakPolarHBondContact CE-O 3.42Å; K147-D151 PolarHBondContact NZ-O 3.38Å; K147-Q153 HydrophobicContact CB-CG 4.43Å; K147-Q153 HydrophobicContact CD-CB 4.14Å; K147-I174 HydrophobicContact CB-CB 4.27Å; K147-I174 HydrophobicContact CB-CG2 4.42Å; K147-I174 WeakPolarHBondContact CG-O 3.36Å; K147-R176 WeakPolarHBondContact O-CA 3.49Å; K147-G177 PolarHBondContact N-O 2.65Å; K147-G177 PolarHBondContact O-N 3.43Å
148H97Very high96.9Very high18 Ų1833.9 Ų33.98%0.08317%0.166CC..  trans-86.8149.6166.3-169.3-95.5000110.1I90 T93 D150 D151I90-H148 PolarHBondContact O-CD2 3.2Å; I90-H148 VanDerWaalsContact O-CD2 3.25Å; T93-H148 HydrophobicContact CG2-CB 4.01Å; H148-D150 IonicContact CE1-OD2 2.65Å; H148-D150 PolarHBondContact CE1-OD2 3.21Å; H148-D150 VanDerWaalsContact CE1-OD2 3.25Å; H148-D150 WeakPolarHBondContact ND1-CB 3.39Å; H148-D150 PolarHBondContact ND1-N 2.95Å; H148-D150 IonicContact ND1-OD2 3.78Å; H148-D150 PolarHBondContact O-N 3.03Å; H148-D151 PolarHBondContact O-N 3.25Å
149N94.9Very high96.8Very high45 Ų4537.6 Ų37.624%0.24119%0.192CC..THydrogen-bonded Turntrans-57.6-36.1178.9-77.7-17.6000112.5K63 S66K63-N149 PolarHBondContact O-ND2 2.77Å; S66-N149 WeakPolarHBondContact CB-OD1 3.46Å; S66-N149 PolarHBondContact OG-OD1 2.84Å
150D95.1Very high96.4Very high112 Ų11238.8 Ų38.860%0.59920%0.202SC*.THydrogen-bonded Turntrans-91.68.7-173.6-53-27.8000114.5K63 H148K63-D150 IonicContact NZ-OD1 2.82Å; K63-D150 PolarHBondContact NZ-OD1 2.63Å; K63-D150 IonicContact NZ-OD2 2.66Å; H148-D150 IonicContact CE1-OD2 2.65Å; H148-D150 PolarHBondContact CE1-OD2 3.21Å; H148-D150 VanDerWaalsContact CE1-OD2 3.25Å; H148-D150 WeakPolarHBondContact ND1-CB 3.39Å; H148-D150 PolarHBondContact ND1-N 2.95Å; H148-D150 IonicContact ND1-OD2 3.78Å; H148-D150 PolarHBondContact O-N 3.03Å
151D96.3Very high95.8Very high44 Ų4436.7 Ų36.724%0.23521%0.21CC..SBendtrans-148.2172.8179.9-154.1-12.7000111.7T93 K94 K147 H148 Y154T93-D151 WeakPolarHBondContact CB-OD2 3.37Å; T93-D151 HydrophobicContact CG2-CB 4.03Å; K94-D151 PolarHBondContact N-OD2 3.45Å; K147-D151 WeakPolarHBondContact CD-O 3.45Å; K147-D151 WeakPolarHBondContact CE-O 3.42Å; K147-D151 PolarHBondContact NZ-O 3.38Å; H148-D151 PolarHBondContact O-N 3.25Å; D151-Y154 HydrophobicContact CB-CE2 4.29Å; D151-Y154 VanDerWaalsContact CG-CE2 3.42Å; D151-Y154 VanDerWaalsContact OD1-CE2 3.25Å; D151-Y154 WeakPolarHBondContact OD1-CE2 3.43Å; D151-Y154 PolarHBondContact OD1-OH 2.9Å; D151-Y154 WeakPolarHBondContact OD2-CE2 3.47Å
152E95.8Very high95.1Very high117 Ų11736.1 Ų36.155%0.54722%0.22SC..  trans-72.5174.6174.5-64.3-171.8169.500112.5Y154E152-Y154 HydrophobicContact CB-CE2 3.92Å; E152-Y154 WeakPolarHBondContact O-CD2 3.43Å; E152-Y154 WeakPolarHBondContact O-CE2 3.25Å
153Q97.6Very high94.7Very high23 Ų2340.2 Ų40.211%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-81.7129.8173.1-168171.2-54.900109.9I145 T146 K147 D169 E172I145-Q153 HydrophobicContact CG2-CG 3.94Å; T146-Q153 WeakPolarHBondContact O-CA 3.18Å; K147-Q153 HydrophobicContact CB-CG 4.43Å; K147-Q153 HydrophobicContact CD-CB 4.14Å; Q153-D169 HydrophobicContact CB-CB 4.45Å; Q153-D169 HydrophobicContact CG-CB 3.98Å; Q153-D169 PolarHBondContact NE2-OD2 3.31Å; Q153-D169 PolarHBondContact O-N 3.19Å; Q153-E172 PolarHBondContact NE2-O 2.96Å
154Y97.8Very high94.6Very high21 Ų2142.8 Ų42.88%0.08226%0.259CS..EExtended strand (participates in β ladder)trans-126.4147.8178.6-60.2-87.3000111.4K94 I145 T146 D151 E152 V166 K167 V168K94-Y154 HydrophobicContact CB-CD1 4.4Å; K94-Y154 HydrophobicContact CB-CD2 4.11Å; K94-Y154 HydrophobicContact CB-CE1 4.07Å; K94-Y154 HydrophobicContact CB-CE2 3.79Å; K94-Y154 HydrophobicContact CB-CG 4.4Å; K94-Y154 HydrophobicContact CD-CD1 4.35Å; K94-Y154 HydrophobicContact CD-CE1 3.76Å; K94-Y154 HydrophobicContact CG-CD1 4.37Å; K94-Y154 HydrophobicContact CG-CE1 4.15Å; I145-Y154 WeakPolarHBondContact CA-O 3.34Å; T146-Y154 PolarHBondContact N-O 2.75Å; T146-Y154 PolarHBondContact O-N 2.94Å; T146-Y154 VanDerWaalsContact O-N 3.08Å; D151-Y154 HydrophobicContact CB-CE2 4.29Å; D151-Y154 VanDerWaalsContact CG-CE2 3.42Å; D151-Y154 VanDerWaalsContact OD1-CE2 3.25Å; D151-Y154 WeakPolarHBondContact OD1-CE2 3.43Å; D151-Y154 PolarHBondContact OD1-OH 2.9Å; D151-Y154 WeakPolarHBondContact OD2-CE2 3.47Å; E152-Y154 HydrophobicContact CB-CE2 3.92Å; E152-Y154 WeakPolarHBondContact O-CD2 3.43Å; E152-Y154 WeakPolarHBondContact O-CE2 3.25Å; Y154-V166 HydrophobicContact CD1-CG1 4.34Å; Y154-K167 CarbonylContact C-O 3.59Å; Y154-K167 WeakPolarHBondContact CA-O 3.46Å; Y154-V168 HydrophobicContact CD1-CG2 4.14Å; Y154-V168 HydrophobicContact CE1-CG2 3.8Å
155A97.6Very high94.5Very high6 Ų646.7 Ų46.75%0.0528%0.283CS..EExtended strand (participates in β ladder)trans-108.6120.917000000109.8I145 V166 K167 D169I145-A155 HydrophobicContact CG1-CB 4.27Å; A155-V166 WeakPolarHBondContact O-CA 3.28Å; A155-K167 HydrophobicContact CB-CG 4.04Å; A155-K167 PolarHBondContact N-O 3.34Å; A155-K167 PolarHBondContact O-N 3.45Å; A155-D169 HydrophobicContact CB-CB 4.16Å
156W98.1Very high94.5Very high4 Ų447.5 Ų47.52%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-100.2134.5170.2178.8104.8000109.3L97 L101 F132 Y136 V142 V143 V144 F164 T165 V166L97-W156 HydrophobicContact CD1-CB 4.29Å; L97-W156 HydrophobicContact CD2-CB 3.99Å; L97-W156 HydrophobicContact CD2-CG 4.42Å; L101-W156 HydrophobicContact CD2-CD2 3.75Å; L101-W156 HydrophobicContact CD2-CE3 4.1Å; L101-W156 HydrophobicContact CD2-CG 3.96Å; L101-W156 HydrophobicContact CD2-CZ2 4.47Å; F132-W156 AromaticContact CE1-CH2 3.8Å; F132-W156 HydrophobicContact CE1-CH2 3.8Å; F132-W156 HydrophobicContact CE1-CZ2 4.49Å; F132-W156 HydrophobicContact CE1-CZ3 4.05Å; F132-W156 HydrophobicContact CZ-CH2 4.12Å; F132-W156 AromaticContact CZ-CZ3 3.86Å; F132-W156 HydrophobicContact CZ-CZ3 3.86Å; Y136-W156 WeakPolarHBondContact OH-CH2 3.46Å; V142-W156 HydrophobicContact CB-CZ3 4.44Å; V142-W156 HydrophobicContact CG1-CZ3 4.48Å; V143-W156 CarbonylContact C-O 3.58Å; V143-W156 WeakPolarHBondContact CA-O 3.32Å; V144-W156 HydrophobicContact CB-CB 4.25Å; V144-W156 HydrophobicContact CB-CE3 4.21Å; V144-W156 HydrophobicContact CG2-CE3 3.94Å; V144-W156 HydrophobicContact CG2-CZ3 4.38Å; V144-W156 PolarHBondContact N-O 3.15Å; V144-W156 PolarHBondContact O-N 2.93Å; W156-F164 AromaticContact CD1-CD2 3.51Å; W156-F164 AromaticContact CD1-CE2 3.99Å; W156-F164 HydrophobicContact CD2-CB 4.47Å; W156-F164 AromaticContact CE2-CD2 3.95Å; W156-F164 AromaticContact CE2-CG 3.76Å; W156-F164 HydrophobicContact CH2-CB 4.46Å; W156-F164 HydrophobicContact CZ2-CB 3.56Å; W156-F164 HydrophobicContact CZ2-CD1 4.37Å; W156-F164 AromaticContact CZ2-CG 3.96Å; W156-F164 HydrophobicContact CZ2-CG 3.96Å; W156-F164 AromaticContact NE1-CD1 4Å; W156-F164 AromaticContact NE1-CD2 3.01Å; W156-F164 AromaticContact NE1-CE2 3.6Å; W156-F164 AromaticContact NE1-CG 3.24Å; W156-T165 VanDerWaalsContact CA-O 3.29Å; W156-T165 WeakPolarHBondContact CA-O 3.46Å; W156-V166 HydrophobicContact CG-CG2 4.45Å
157E97.4Very high94.4Very high57 Ų5753.4 Ų53.427%0.26632%0.315SS..EExtended strand (participates in β ladder)trans-138.6133.8-178.7177.8168.5-163.600111.4K141 V143 F164 T165K141-E157 HydrophobicContact CD-CG 4.35Å; K141-E157 VanDerWaalsContact CD-OE1 3.28Å; K141-E157 WeakPolarHBondContact CD-OE1 3.34Å; K141-E157 WeakPolarHBondContact CE-OE1 3.49Å; K141-E157 IonicContact NZ-OE1 2.78Å; K141-E157 PolarHBondContact NZ-OE1 3.28Å; V143-E157 HydrophobicContact CG2-CB 4.19Å; V143-E157 HydrophobicContact CG2-CG 3.88Å; E157-F164 WeakPolarHBondContact O-CA 3.2Å; E157-T165 PolarHBondContact N-O 3.34Å; E157-T165 PolarHBondContact O-N 3.03Å
158S95.8Very high94.3Very high13 Ų1354.8 Ų54.89%0.09133%0.327CS..EExtended strand (participates in β ladder)trans-154.3153.2173.8-175.30000112.5Y136 V142 A160 S163Y136-S158 WeakPolarHBondContact OH-CB 3.31Å; Y136-S158 PolarHBondContact OH-O 3.41Å; Y136-S158 VanDerWaalsContact OH-O 3.13Å; V142-S158 PolarHBondContact N-O 3.41Å; V142-S158 PolarHBondContact O-N 2.98Å; V142-S158 VanDerWaalsContact O-N 3.12Å; S158-A160 PolarHBondContact OG-N 2.99Å; S158-A160 VanDerWaalsContact OG-N 3.15Å; S158-S163 PolarHBondContact OG-O 3.34Å
159S93.1Very high94.1Very high78 Ų7855.5 Ų55.555%0.54533%0.331SS..  trans-112.520.3172.257.30000112.3G161S159-G161 PolarHBondContact O-N 3.38Å; S159-G161 VanDerWaalsContact O-N 3.09Å
160A88.3Confident93.9Very high25 Ų2559.9 Ų59.921%0.20736%0.36CS..SBendtrans58.515.4-174.100000115.6M24 I28 Y136 S158 G162M24-A160 HydrophobicContact CE-CB 3.98Å; I28-A160 HydrophobicContact CD1-CB 4.01Å; Y136-A160 HydrophobicContact CD1-CB 3.68Å; Y136-A160 HydrophobicContact CD2-CB 4.04Å; Y136-A160 HydrophobicContact CE1-CB 3.79Å; Y136-A160 HydrophobicContact CE2-CB 4.16Å; Y136-A160 HydrophobicContact CG-CB 3.81Å; S158-A160 PolarHBondContact OG-N 2.99Å; S158-A160 VanDerWaalsContact OG-N 3.15Å; A160-G162 PolarHBondContact O-N 3.1Å
161G82.1Confident93.5Very high65 Ų6556.6 Ų56.667%0.6735%0.353SS*.SBendtrans-76.926177.800000115.6S159S159-G161 PolarHBondContact O-N 3.38Å; S159-G161 VanDerWaalsContact O-N 3.09Å
162G83.3Confident93.2Very high47 Ų4761.2 Ų61.249%0.48537%0.373SS..SBendtrans85.70.818000000116.1A160A160-G162 PolarHBondContact O-N 3.1Å
163S89.8Confident92.9Very high86 Ų8661.2 Ų61.260%0.60138%0.383SS*.  trans-145.9167.1174.363.40000112.3S158S158-S163 PolarHBondContact OG-O 3.34Å
164F95.4Very high92.7Very high69 Ų6961.6 Ų61.630%0.30339%0.386SS..  trans-142.6161.9174.263.3-95000110.1I98 G102 W156 E157 V166I98-F164 HydrophobicContact CG1-CE2 4.4Å; G102-F164 VanDerWaalsContact CA-CE1 3.44Å; W156-F164 AromaticContact CD1-CD2 3.51Å; W156-F164 AromaticContact CD1-CE2 3.99Å; W156-F164 HydrophobicContact CD2-CB 4.47Å; W156-F164 AromaticContact CE2-CD2 3.95Å; W156-F164 AromaticContact CE2-CG 3.76Å; W156-F164 HydrophobicContact CH2-CB 4.46Å; W156-F164 HydrophobicContact CZ2-CB 3.56Å; W156-F164 HydrophobicContact CZ2-CD1 4.37Å; W156-F164 AromaticContact CZ2-CG 3.96Å; W156-F164 HydrophobicContact CZ2-CG 3.96Å; W156-F164 AromaticContact NE1-CD1 4Å; W156-F164 AromaticContact NE1-CD2 3.01Å; W156-F164 AromaticContact NE1-CE2 3.6Å; W156-F164 AromaticContact NE1-CG 3.24Å; E157-F164 WeakPolarHBondContact O-CA 3.2Å; F164-V166 HydrophobicContact CD2-CG2 4.01Å; F164-V166 HydrophobicContact CE2-CG2 3.97Å
165T96.3Very high92.3Very high83 Ų8363 Ų6351%0.50941%0.406SS..EExtended strand (participates in β ladder)trans-121.1151.5176.563.60000110.8W156 E157W156-T165 VanDerWaalsContact CA-O 3.29Å; W156-T165 WeakPolarHBondContact CA-O 3.46Å; E157-T165 PolarHBondContact N-O 3.34Å; E157-T165 PolarHBondContact O-N 3.03Å
166V96.7Very high92.2Very high40 Ų4063.2 Ų63.224%0.24241%0.405CS..EExtended strand (participates in β ladder)trans-133125.7175.1-176.70000108.6K94 L97 I98 Y154 A155 W156 F164K94-V166 HydrophobicContact CG-CG1 4.31Å; L97-V166 HydrophobicContact CD1-CG1 4.14Å; I98-V166 HydrophobicContact CG1-CG2 4.39Å; Y154-V166 HydrophobicContact CD1-CG1 4.34Å; A155-V166 WeakPolarHBondContact O-CA 3.28Å; W156-V166 HydrophobicContact CG-CG2 4.45Å; F164-V166 HydrophobicContact CD2-CG2 4.01Å; F164-V166 HydrophobicContact CE2-CG2 3.97Å
167K96.1Very high92.2Very high123 Ų12363 Ų6354%0.53541%0.405SS..EExtended strand (participates in β ladder)trans-131.6155.9176.364.8-176.8-179.6-172.80110.6Y154 A155 D169Y154-K167 CarbonylContact C-O 3.59Å; Y154-K167 WeakPolarHBondContact CA-O 3.46Å; A155-K167 HydrophobicContact CB-CG 4.04Å; A155-K167 PolarHBondContact N-O 3.34Å; A155-K167 PolarHBondContact O-N 3.45Å; K167-D169 PolarHBondContact O-N 3.17Å
168V95.3Very high92.2Very high75 Ų7560.7 Ų60.746%0.45539%0.394SS..EExtended strand (participates in β ladder)trans-64.5131.8166.81800000107.5Y154Y154-V168 HydrophobicContact CD1-CG2 4.14Å; Y154-V168 HydrophobicContact CE1-CG2 3.8Å
169D94Very high92.3Very high32 Ų3262.3 Ų62.317%0.17140%0.4CS..  trans-90.1138.3177.5-17124.3000110.8I145 Q153 A155 K167 G171I145-D169 HydrophobicContact CG2-CB 4.38Å; I145-D169 WeakPolarHBondContact CG2-OD2 3.44Å; Q153-D169 HydrophobicContact CB-CB 4.45Å; Q153-D169 HydrophobicContact CG-CB 3.98Å; Q153-D169 PolarHBondContact NE2-OD2 3.31Å; Q153-D169 PolarHBondContact O-N 3.19Å; A155-D169 HydrophobicContact CB-CB 4.16Å; K167-D169 PolarHBondContact O-N 3.17Å; D169-G171 PolarHBondContact OD1-N 3.48Å
170T89.9Confident92.5Very high137 Ų13759.1 Ų59.184%0.8438%0.376SS*.  trans-122.57.7179.151.30000111.8
171G87.4Confident93Very high44 Ų4459 Ų5945%0.45437%0.372SS..SBendtrans-76.9-147.8177.100000113.6D169 P173D169-G171 PolarHBondContact OD1-N 3.48Å; G171-P173 WeakPolarHBondContact O-CD 3.44Å
172E89.4Confident93.8Very high141 Ų14156 Ų5666%0.65934%0.341SS*.SBendtrans-58122.7179.6-172.2-177.6-16800111.2Q153 I174 K179Q153-E172 PolarHBondContact NE2-O 2.96Å; E172-I174 PolarHBondContact O-N 2.94Å; E172-K179 IonicContact OE2-NZ 3.19Å; E172-K179 PolarHBondContact OE2-NZ 3.17Å
173P89.5Confident94.5Very high117 Ų11757.8 Ų57.876%0.7633%0.334SS*.PPolyproline II helixtrans-66.2128.4-179.9-21.232.6000112.2G171G171-P173 WeakPolarHBondContact O-CD 3.44Å
174I92.6Very high94.8Very high31 Ų3154 Ų5416%0.15931%0.306CS..PPolyproline II helixtrans-99.8127.9170.7-55.3178.9000107.6I145 K147 E172 K179I145-I174 HydrophobicContact CB-CD1 4.09Å; I145-I174 HydrophobicContact CG2-CD1 3.64Å; K147-I174 HydrophobicContact CB-CB 4.27Å; K147-I174 HydrophobicContact CB-CG2 4.42Å; K147-I174 WeakPolarHBondContact CG-O 3.36Å; E172-I174 PolarHBondContact O-N 2.94Å; I174-K179 HydrophobicContact CD1-CB 3.84Å
175G90.9Very high94.9Very high49 Ų4953.1 Ų53.151%0.50530%0.302SS..SBendtrans-64-52.6177.400000112.4
176R95.5Very high94.7Very high11 Ų1155.2 Ų55.24%0.04231%0.307CS..SBendtrans-158.6153176.5-166.8-169.460.1-131.3-4.8109.8K63 G67 T88 G89 K147K63-R176 PolarHBondContact O-NH1 2.92Å; G67-R176 PolarHBondContact O-NH1 3.08Å; G67-R176 PolarHBondContact O-NH2 3.32Å; T88-R176 PolarHBondContact O-NE 3.04Å; T88-R176 PolarHBondContact O-NH2 3.38Å; G89-R176 WeakPolarHBondContact O-CD 3.23Å; G89-R176 VanDerWaalsContact O-CG 3.26Å; G89-R176 WeakPolarHBondContact O-CG 3.4Å; G89-R176 PolarHBondContact O-NE 3.33Å; K147-R176 WeakPolarHBondContact O-CA 3.49Å
177G96.9Very high94.7Very high0 Ų058.4 Ų58.40%032%0.322CS..EExtended strand (participates in β ladder)trans104-149.5172.200000112D87 G89 T146 K147D87-G177 WeakPolarHBondContact O-CA 3.44Å; G89-G177 VanDerWaalsContact O-CA 3.31Å; G89-G177 WeakPolarHBondContact O-CA 3.28Å; G89-G177 PolarHBondContact O-N 3.23Å; T146-G177 WeakPolarHBondContact CA-O 3.25Å; T146-G177 PolarHBondContact OG1-O 2.93Å; K147-G177 PolarHBondContact N-O 2.65Å; K147-G177 PolarHBondContact O-N 3.43Å
178T98Very high94.6Very high8 Ų853 Ų535%0.04930%0.299CS..EExtended strand (participates in β ladder)trans-142.8141.9-172-55.20000112.2V86 D87 M92 V144 I145 T146 I180V86-T178 WeakPolarHBondContact CA-O 3.48Å; D87-T178 PolarHBondContact N-O 3.41Å; D87-T178 PolarHBondContact O-N 2.84Å; D87-T178 WeakPolarHBondContact OD2-CB 3.47Å; M92-T178 HydrophobicContact CE-CG2 4.36Å; V144-T178 HydrophobicContact CG1-CG2 3.41Å; V144-T178 VanDerWaalsContact CG1-CG2 3.41Å; I145-T178 CarbonylContact O-C 3.52Å; I145-T178 WeakPolarHBondContact O-CA 3.44Å; I145-T178 WeakPolarHBondContact O-CG2 3.36Å; T146-T178 PolarHBondContact OG1-OG1 3.41Å; T178-I180 HydrophobicContact CG2-CG1 3.9Å
179K97.9Very high94.5Very high47 Ų4752.3 Ų52.320%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-113.9115.1170179.9174.2-173.9176.40108.6T84 L85 V86 V144 I145 E172 I174 I181T84-K179 HydrophobicContact CG2-CD 4.21Å; T84-K179 HydrophobicContact CG2-CG 3.59Å; L85-K179 CarbonylContact O-C 3.57Å; L85-K179 WeakPolarHBondContact O-CA 3.34Å; V86-K179 HydrophobicContact CG2-CB 4.48Å; V86-K179 HydrophobicContact CG2-CG 4.16Å; V144-K179 WeakPolarHBondContact CA-O 3.47Å; I145-K179 HydrophobicContact CB-CB 4.34Å; I145-K179 PolarHBondContact N-O 3.48Å; I145-K179 PolarHBondContact O-N 3.48Å; E172-K179 IonicContact OE2-NZ 3.19Å; E172-K179 PolarHBondContact OE2-NZ 3.17Å; I174-K179 HydrophobicContact CD1-CB 3.84Å; K179-I181 HydrophobicContact CG-CD1 4.5Å; K179-I181 HydrophobicContact CG-CG1 4.1Å
180I98.3Very high94.6Very high11 Ų1154.8 Ų54.86%0.05631%0.306CS..EExtended strand (participates in β ladder)trans-105113.6178.7-53.5178.4000107.9L42 T84 L85 V142 V144 T178 L182L42-I180 HydrophobicContact CD2-CD1 3.98Å; T84-I180 CarbonylContact C-O 3.47Å; T84-I180 VanDerWaalsContact CA-O 3.31Å; T84-I180 WeakPolarHBondContact CA-O 3.15Å; L85-I180 HydrophobicContact CB-CB 4.37Å; L85-I180 PolarHBondContact N-O 2.71Å; L85-I180 PolarHBondContact O-N 2.73Å; V142-I180 HydrophobicContact CG1-CG2 4.04Å; V144-I180 HydrophobicContact CG2-CG1 4.47Å; V144-I180 HydrophobicContact CG2-CG2 4.4Å; T178-I180 HydrophobicContact CG2-CG1 3.9Å; I180-L182 HydrophobicContact CG2-CD2 3.92Å
181I98.1Very high94.9Very high22 Ų2248.5 Ų48.511%0.11327%0.267CS..EExtended strand (participates in β ladder)trans-104.9115.3-179.3-51.3171.2000108.1T82 T84 V142 V143 I145 K179 Y183T82-I181 HydrophobicContact CG2-CG2 4.27Å; T84-I181 HydrophobicContact CG2-CG1 4.28Å; V142-I181 WeakPolarHBondContact CA-O 3.26Å; V143-I181 HydrophobicContact CB-CB 4.26Å; V143-I181 PolarHBondContact N-O 3.07Å; V143-I181 PolarHBondContact O-N 2.81Å; I145-I181 HydrophobicContact CD1-CD1 4.08Å; K179-I181 HydrophobicContact CG-CD1 4.5Å; K179-I181 HydrophobicContact CG-CG1 4.1Å; I181-Y183 HydrophobicContact CB-CE2 4.42Å; I181-Y183 HydrophobicContact CG2-CD2 4.27Å; I181-Y183 HydrophobicContact CG2-CE2 3.75Å
182L98.3Very high95.2Very high3 Ų346.9 Ų46.92%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-98.3114.2177.4-54.1179.7000108.9F38 L42 T82 L83 A135 A139 V142 I180 L184F38-L182 HydrophobicContact CD2-CD1 3.82Å; F38-L182 HydrophobicContact CE2-CD1 3.56Å; L42-L182 HydrophobicContact CD1-CD1 3.77Å; L42-L182 HydrophobicContact CD1-CD2 4.25Å; L42-L182 HydrophobicContact CD1-CG 4.45Å; T82-L182 CarbonylContact C-O 3.5Å; T82-L182 WeakPolarHBondContact CA-O 3.35Å; T82-L182 WeakPolarHBondContact CB-O 3.34Å; L83-L182 HydrophobicContact CB-CB 4.36Å; L83-L182 HydrophobicContact CB-CD1 4.47Å; L83-L182 HydrophobicContact CD2-CD1 4.36Å; L83-L182 PolarHBondContact N-O 2.84Å; L83-L182 WeakPolarHBondContact O-CB 3.4Å; L83-L182 PolarHBondContact O-N 3.24Å; A135-L182 HydrophobicContact CB-CD2 3.84Å; A139-L182 HydrophobicContact CB-CB 4.16Å; A139-L182 HydrophobicContact CB-CD2 4.37Å; V142-L182 HydrophobicContact CG1-CD2 4.04Å; V142-L182 HydrophobicContact CG2-CD2 3.83Å; I180-L182 HydrophobicContact CG2-CD2 3.92Å; L182-L184 HydrophobicContact CB-CD2 4.09Å; L182-L184 PolarHBondContact O-N 3.21Å
183Y97.9Very high95.4Very high85 Ų8544.3 Ų44.333%0.33324%0.235SC..EExtended strand (participates in β ladder)trans-84.4102.5168-66.1-98.5000107.5T82 A139 E140 K141 V143 I181T82-Y183 HydrophobicContact CG2-CD1 3.62Å; T82-Y183 HydrophobicContact CG2-CE1 3.81Å; T82-Y183 HydrophobicContact CG2-CG 4.07Å; A139-Y183 CarbonylContact C-O 3.55Å; A139-Y183 WeakPolarHBondContact CA-O 3.22Å; A139-Y183 WeakPolarHBondContact CB-O 3.26Å; E140-Y183 PolarHBondContact N-O 2.97Å; K141-Y183 HydrophobicContact CB-CD2 4.15Å; K141-Y183 HydrophobicContact CB-CG 4.29Å; K141-Y183 HydrophobicContact CG-CD2 4.38Å; K141-Y183 WeakPolarHBondContact O-CB 3.42Å; K141-Y183 PolarHBondContact O-N 2.95Å; V143-Y183 HydrophobicContact CB-CE2 4.37Å; V143-Y183 HydrophobicContact CG2-CD2 4.44Å; V143-Y183 HydrophobicContact CG2-CE2 3.71Å; I181-Y183 HydrophobicContact CB-CE2 4.42Å; I181-Y183 HydrophobicContact CG2-CD2 4.27Å; I181-Y183 HydrophobicContact CG2-CE2 3.75Å
184L97.1Very high95.5Very high6 Ų642.2 Ų42.23%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-71.2145.5-171.9-60.7-178.4000111R81 L83 V138 L182 I192R81-L184 WeakPolarHBondContact O-CB 3.45Å; R81-L184 PolarHBondContact O-N 3.14Å; L83-L184 HydrophobicContact CB-CD1 4.37Å; V138-L184 HydrophobicContact CB-CD2 4.34Å; V138-L184 HydrophobicContact CG2-CD2 3.99Å; L182-L184 HydrophobicContact CB-CD2 4.09Å; L182-L184 PolarHBondContact O-N 3.21Å; L184-I192 HydrophobicContact CD1-CG2 3.57Å
185K95.9Very high95.5Very high50 Ų5047.9 Ų47.922%0.21724%0.239CC..  trans-59.9152.7168-71.7163.3-171.41740110.3Y136 L137 V138 A139 E140 D187 Q188Y136-K185 PolarHBondContact O-NZ 3.18Å; L137-K185 PolarHBondContact O-NZ 3.35Å; V138-K185 PolarHBondContact O-N 3.43Å; A139-K185 WeakPolarHBondContact O-CE 3.3Å; E140-K185 HydrophobicContact CB-CG 4.47Å; E140-K185 HydrophobicContact CG-CG 3.68Å; E140-K185 WeakPolarHBondContact OE1-CA 3.4Å; K185-D187 VanDerWaalsContact CB-OD1 3.26Å; K185-D187 WeakPolarHBondContact CB-OD1 3.37Å; K185-D187 PolarHBondContact O-N 3.43Å; K185-D187 VanDerWaalsContact O-N 3.17Å; K185-Q188 HydrophobicContact CB-CB 4.22Å; K185-Q188 HydrophobicContact CB-CG 3.75Å; K185-Q188 HydrophobicContact CD-CG 4.29Å; K185-Q188 PolarHBondContact O-N 3Å
186E93.9Very high95.7Very high128 Ų12847.7 Ų47.760%0.59822%0.223SC*.G310 helixtrans-59.5-30.8-177.8-54.7-154.7130.900113.4R81 Q188R81-E186 IonicContact CZ-OE1 3.29Å; R81-E186 IonicContact NH1-OE1 3.39Å; R81-E186 PolarHBondContact NH1-OE1 3.29Å; R81-E186 IonicContact NH2-OE1 3.74Å; R81-E186 PolarHBondContact NH2-OE1 2.82Å; E186-Q188 VanDerWaalsContact C-N 3.34Å
187D94.9Very high95.6Very high107 Ų10747.2 Ų47.257%0.57222%0.221SC*.G310 helixtrans-88.64.7179.171.8-39.8000113.8K185K185-D187 VanDerWaalsContact CB-OD1 3.26Å; K185-D187 WeakPolarHBondContact CB-OD1 3.37Å; K185-D187 PolarHBondContact O-N 3.43Å; K185-D187 VanDerWaalsContact O-N 3.17Å
188Q95.7Very high95.5Very high8 Ų850 Ų504%0.03723%0.233CC..G310 helixtrans-118.521.4-174.4-54.9-63.2-57.900112.6V138 K185 E186 E190 Y191V138-Q188 HydrophobicContact CB-CB 4.24Å; V138-Q188 HydrophobicContact CB-CG 4.31Å; K185-Q188 HydrophobicContact CB-CB 4.22Å; K185-Q188 HydrophobicContact CB-CG 3.75Å; K185-Q188 HydrophobicContact CD-CG 4.29Å; K185-Q188 PolarHBondContact O-N 3Å; E186-Q188 VanDerWaalsContact C-N 3.34Å; Q188-E190 PolarHBondContact O-N 2.91Å; Q188-E190 VanDerWaalsContact O-N 3.15Å; Q188-Y191 HydrophobicContact CB-CD2 4.13Å; Q188-Y191 HydrophobicContact CB-CE2 4.44Å; Q188-Y191 WeakPolarHBondContact O-CD2 3.41Å; Q188-Y191 PolarHBondContact O-N 2.91Å
189T93.4Very high95.2Very high62 Ų6254 Ų5438%0.3825%0.251SS..G310 helixtrans-66.1-11.7177.458.50000113.6Y191 I192T189-Y191 PolarHBondContact O-N 3.45Å; T189-Y191 VanDerWaalsContact O-N 3.16Å; T189-I192 WeakPolarHBondContact O-CG1 3.39Å; T189-I192 PolarHBondContact O-N 2.86Å
190E95.2Very high95Very high84 Ų8451.8 Ų51.839%0.39324%0.242SC..G310 helixtrans-58-27.8172.463.1165.9160.100112.5Q188 I192 E193 R196Q188-E190 PolarHBondContact O-N 2.91Å; Q188-E190 VanDerWaalsContact O-N 3.15Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.46Å; E190-E193 WeakPolarHBondContact O-CB 3.34Å; E190-E193 PolarHBondContact O-N 2.94Å; E190-R196 HydrophobicContact CB-CG 4.48Å; E190-R196 WeakPolarHBondContact O-CB 3.32Å; E190-R196 WeakPolarHBondContact O-CG 3.5Å; E190-R196 IonicContact OE2-NE 2.78Å; E190-R196 PolarHBondContact OE2-NE 2.7Å; E190-R196 VanDerWaalsContact OE2-NE 3.1Å
191Y95.6Very high94.8Very high5 Ų551.3 Ų51.32%0.0224%0.24CC..G310 helixtrans-82.4-1.5-175.9-62.2-72.9000114.7E36 F38 V138 Q188 T189 R196 V197 I200E36-Y191 HydrophobicContact CB-CE1 4.14Å; F38-Y191 AromaticContact CE1-CD1 3.49Å; F38-Y191 HydrophobicContact CE1-CD1 3.49Å; F38-Y191 VanDerWaalsContact CE1-CD1 3.49Å; F38-Y191 HydrophobicContact CE1-CD2 4.34Å; F38-Y191 AromaticContact CE1-CE1 3.81Å; F38-Y191 HydrophobicContact CE1-CE1 3.81Å; F38-Y191 AromaticContact CE1-CG 3.79Å; F38-Y191 HydrophobicContact CE1-CG 3.79Å; F38-Y191 AromaticContact CZ-CD1 3.99Å; F38-Y191 HydrophobicContact CZ-CD1 3.99Å; F38-Y191 HydrophobicContact CZ-CG 4.03Å; V138-Y191 HydrophobicContact CB-CD2 4.31Å; V138-Y191 HydrophobicContact CG1-CD2 3.92Å; V138-Y191 HydrophobicContact CG1-CE2 3.7Å; Q188-Y191 HydrophobicContact CB-CD2 4.13Å; Q188-Y191 HydrophobicContact CB-CE2 4.44Å; Q188-Y191 WeakPolarHBondContact O-CD2 3.41Å; Q188-Y191 PolarHBondContact O-N 2.91Å; T189-Y191 PolarHBondContact O-N 3.45Å; T189-Y191 VanDerWaalsContact O-N 3.16Å; Y191-R196 HydrophobicContact CD1-CG 4.18Å; Y191-R196 HydrophobicContact CE1-CG 4.42Å; Y191-V197 WeakPolarHBondContact O-CG2 3.15Å; Y191-I200 HydrophobicContact CD1-CD1 3.49Å; Y191-I200 VanDerWaalsContact CD1-CD1 3.49Å; Y191-I200 HydrophobicContact CE1-CD1 3.45Å; Y191-I200 VanDerWaalsContact CE1-CD1 3.45Å
192I93.5Very high94.4Very high9 Ų955.4 Ų55.45%0.04626%0.257CS..G310 helixtrans-101.4-0.2167.348.7169.3000112.1P76 K78 T82 L83 L184 T189 E190P76-I192 HydrophobicContact CB-CB 4.13Å; P76-I192 HydrophobicContact CB-CG2 4.19Å; K78-I192 HydrophobicContact CB-CD1 4.33Å; K78-I192 HydrophobicContact CG-CD1 4.16Å; T82-I192 WeakPolarHBondContact O-CG2 3.33Å; L83-I192 HydrophobicContact CB-CG2 4.26Å; L184-I192 HydrophobicContact CD1-CG2 3.57Å; T189-I192 WeakPolarHBondContact O-CG1 3.39Å; T189-I192 PolarHBondContact O-N 2.86Å; E190-I192 VanDerWaalsContact C-N 3.3Å; E190-I192 PolarHBondContact O-N 3.46Å
193E93.4Very high93.9Very high88 Ų8859.4 Ų59.441%0.41127%0.274SS..SBendtrans-82.1129.4172.8-66.2-58.8149.700111.1K78 E190 K195 R196 V197K78-E193 IonicContact NZ-OE1 3.98Å; K78-E193 PolarHBondContact NZ-OE1 3.01Å; K78-E193 IonicContact NZ-OE2 3.48Å; K78-E193 PolarHBondContact NZ-OE2 3.34Å; E190-E193 WeakPolarHBondContact O-CB 3.34Å; E190-E193 PolarHBondContact O-N 2.94Å; E193-K195 VanDerWaalsContact C-N 3.29Å; E193-K195 PolarHBondContact O-N 3.03Å; E193-R196 HydrophobicContact CB-CB 4.42Å; E193-R196 PolarHBondContact O-N 2.79Å; E193-V197 PolarHBondContact O-N 2.95Å; E193-V197 VanDerWaalsContact O-N 3.09Å
194E91.8Very high93.5Very high73 Ų7355.8 Ų55.834%0.34126%0.26SS..Hα-helixtrans-50.5-48.6-176.7-178.3-163144.500112.1R196 V197 K198 L214 V216E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.23Å; E194-V197 PolarHBondContact O-N 3.4Å; E194-K198 HydrophobicContact CG-CD 4.07Å; E194-K198 WeakPolarHBondContact O-CB 3.47Å; E194-K198 VanDerWaalsContact O-CG 3.32Å; E194-K198 WeakPolarHBondContact O-CG 3.36Å; E194-K198 PolarHBondContact O-N 3.03Å; E194-K198 WeakPolarHBondContact OE1-CE 3.35Å; E194-K198 IonicContact OE1-NZ 2.72Å; E194-K198 PolarHBondContact OE1-NZ 3.44Å; E194-L214 HydrophobicContact CG-CD2 4.01Å; E194-V216 HydrophobicContact CG-CG1 4.25Å; E194-V216 HydrophobicContact CG-CG2 3.94Å; E194-V216 VanDerWaalsContact OE2-CG1 3.26Å; E194-V216 WeakPolarHBondContact OE2-CG1 3.42Å
195K93.1Very high93.2Very high149 Ų14955.6 Ų55.665%0.64826%0.259SS*.Hα-helixtrans-58.2-44.7-179.1-175.9-178.5175.4-173.20111.6E193 K198 E199E193-K195 VanDerWaalsContact C-N 3.29Å; E193-K195 PolarHBondContact O-N 3.03Å; K195-K198 PolarHBondContact O-N 3.47Å; K195-E199 WeakPolarHBondContact CE-OE1 3.25Å; K195-E199 VanDerWaalsContact O-CG 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.5Å; K195-E199 PolarHBondContact O-N 3.5Å
196R94.7Very high92.8Very high46 Ų4653.7 Ų53.717%0.17425%0.251CS..Hα-helixtrans-68.8-43.5-177-17361.9175128.810.9111.1E36 E190 Y191 E193 E194 K198 E199 I200E36-R196 IonicContact OE2-CZ 2.75Å; E36-R196 IonicContact OE2-NH1 2.97Å; E36-R196 PolarHBondContact OE2-NH1 2.89Å; E36-R196 VanDerWaalsContact OE2-NH1 3.15Å; E36-R196 IonicContact OE2-NH2 3.54Å; E36-R196 PolarHBondContact OE2-NH2 3.43Å; E190-R196 HydrophobicContact CB-CG 4.48Å; E190-R196 WeakPolarHBondContact O-CB 3.32Å; E190-R196 WeakPolarHBondContact O-CG 3.5Å; E190-R196 IonicContact OE2-NE 2.78Å; E190-R196 PolarHBondContact OE2-NE 2.7Å; E190-R196 VanDerWaalsContact OE2-NE 3.1Å; Y191-R196 HydrophobicContact CD1-CG 4.18Å; Y191-R196 HydrophobicContact CE1-CG 4.42Å; E193-R196 HydrophobicContact CB-CB 4.42Å; E193-R196 PolarHBondContact O-N 2.79Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.23Å; R196-K198 PolarHBondContact O-N 2.98Å; R196-E199 IonicContact NH1-OE2 3.36Å; R196-E199 PolarHBondContact O-N 2.71Å; R196-I200 HydrophobicContact CG-CD1 4Å; R196-I200 WeakPolarHBondContact O-CD1 3.24Å; R196-I200 VanDerWaalsContact O-CG1 3.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.47Å; R196-I200 PolarHBondContact O-N 2.93Å; R196-I200 VanDerWaalsContact O-N 3.08Å
197V94.3Very high92.6Very high1 Ų147.6 Ų47.61%0.00622%0.222CC..Hα-helixtrans-60.4-46.9175.8177.80000110.7L39 I74 Y191 E193 E194 E199 I200 V201 L214L39-V197 HydrophobicContact CD2-CG1 4.21Å; I74-V197 HydrophobicContact CD1-CG1 4.16Å; I74-V197 HydrophobicContact CG2-CG1 4.07Å; Y191-V197 WeakPolarHBondContact O-CG2 3.15Å; E193-V197 PolarHBondContact O-N 2.95Å; E193-V197 VanDerWaalsContact O-N 3.09Å; E194-V197 PolarHBondContact O-N 3.4Å; V197-E199 VanDerWaalsContact C-N 3.35Å; V197-E199 PolarHBondContact O-N 3.09Å; V197-I200 PolarHBondContact O-N 2.81Å; V197-V201 HydrophobicContact CG1-CG2 4.26Å; V197-V201 WeakPolarHBondContact O-CG2 3.41Å; V197-V201 PolarHBondContact O-N 2.84Å; V197-L214 HydrophobicContact CB-CD1 4.42Å; V197-L214 HydrophobicContact CB-CD2 4.4Å; V197-L214 HydrophobicContact CG1-CD1 3.81Å; V197-L214 HydrophobicContact CG1-CD2 4.24Å
198K93.9Very high92.4Very high57 Ų5743 Ų4325%0.24820%0.197CC..Hα-helixtrans-58.4-43.9176.8-74.8-179.8173.7-179.10112.4E194 K195 R196 K202 L214 E278 L280E194-K198 HydrophobicContact CG-CD 4.07Å; E194-K198 WeakPolarHBondContact O-CB 3.47Å; E194-K198 VanDerWaalsContact O-CG 3.32Å; E194-K198 WeakPolarHBondContact O-CG 3.36Å; E194-K198 PolarHBondContact O-N 3.03Å; E194-K198 WeakPolarHBondContact OE1-CE 3.35Å; E194-K198 IonicContact OE1-NZ 2.72Å; E194-K198 PolarHBondContact OE1-NZ 3.44Å; K195-K198 PolarHBondContact O-N 3.47Å; R196-K198 PolarHBondContact O-N 2.98Å; K198-K202 WeakPolarHBondContact O-CB 3.28Å; K198-K202 PolarHBondContact O-N 2.65Å; K198-L214 HydrophobicContact CG-CD2 3.95Å; K198-E278 WeakPolarHBondContact CE-OE2 3.42Å; K198-E278 IonicContact NZ-OE1 2.99Å; K198-E278 IonicContact NZ-OE2 3.85Å; K198-E278 PolarHBondContact NZ-OE2 2.58Å; K198-L280 HydrophobicContact CG-CD2 3.86Å
199E92.9Very high92Very high92 Ų9245.4 Ų45.443%0.4323%0.225SC..Hα-helixtrans-60-45.7177-76.8171.1-175.500112.2K195 R196 V197 K203K195-E199 WeakPolarHBondContact CE-OE1 3.25Å; K195-E199 VanDerWaalsContact O-CG 3.3Å; K195-E199 WeakPolarHBondContact O-CG 3.5Å; K195-E199 PolarHBondContact O-N 3.5Å; R196-E199 IonicContact NH1-OE2 3.36Å; R196-E199 PolarHBondContact O-N 2.71Å; V197-E199 VanDerWaalsContact C-N 3.35Å; V197-E199 PolarHBondContact O-N 3.09Å; E199-K203 VanDerWaalsContact O-CB 3.26Å; E199-K203 WeakPolarHBondContact O-CB 3.24Å; E199-K203 PolarHBondContact O-N 2.78Å
200I93.8Very high92Very high2 Ų243.4 Ų43.41%0.0121%0.21CC..Hα-helixtrans-68.3-46.7-177.9-63.1165000110.7E36 L39 Y191 R196 V197 K203 H204E36-I200 HydrophobicContact CB-CD1 4.01Å; E36-I200 HydrophobicContact CB-CG1 4.1Å; L39-I200 HydrophobicContact CB-CG2 3.94Å; L39-I200 HydrophobicContact CD2-CB 4.24Å; L39-I200 HydrophobicContact CD2-CG2 3.89Å; L39-I200 HydrophobicContact CG-CG2 4.38Å; Y191-I200 HydrophobicContact CD1-CD1 3.49Å; Y191-I200 VanDerWaalsContact CD1-CD1 3.49Å; Y191-I200 HydrophobicContact CE1-CD1 3.45Å; Y191-I200 VanDerWaalsContact CE1-CD1 3.45Å; R196-I200 HydrophobicContact CG-CD1 4Å; R196-I200 WeakPolarHBondContact O-CD1 3.24Å; R196-I200 VanDerWaalsContact O-CG1 3.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.47Å; R196-I200 PolarHBondContact O-N 2.93Å; R196-I200 VanDerWaalsContact O-N 3.08Å; V197-I200 PolarHBondContact O-N 2.81Å; I200-K203 PolarHBondContact O-N 2.98Å; I200-H204 WeakPolarHBondContact O-CB 3.12Å; I200-H204 PolarHBondContact O-CD2 3.08Å; I200-H204 PolarHBondContact O-N 3.38Å
201V92.9Very high92Very high1 Ų141.9 Ų41.91%0.00621%0.208CC..Hα-helixtrans-64.3-44.3178.5175.80000110.9L39 I43 I74 V197 K203 H204 S205 Q206 I212 L280L39-V201 HydrophobicContact CD2-CG2 3.85Å; I43-V201 HydrophobicContact CD1-CG2 3.93Å; I74-V201 HydrophobicContact CD1-CG2 3.75Å; V197-V201 HydrophobicContact CG1-CG2 4.26Å; V197-V201 WeakPolarHBondContact O-CG2 3.41Å; V197-V201 PolarHBondContact O-N 2.84Å; V201-K203 PolarHBondContact O-N 3.19Å; V201-H204 PolarHBondContact O-N 3.16Å; V201-S205 CarbonylContact O-C 3.58Å; V201-S205 WeakPolarHBondContact O-CA 3.37Å; V201-S205 PolarHBondContact O-N 3.07Å; V201-Q206 PolarHBondContact O-N 2.83Å; V201-I212 HydrophobicContact CG1-CD1 4.19Å; V201-I212 HydrophobicContact CG1-CG2 4.13Å; V201-L280 HydrophobicContact CB-CD1 3.78Å; V201-L280 HydrophobicContact CG1-CB 3.78Å; V201-L280 HydrophobicContact CG1-CD1 3.72Å; V201-L280 HydrophobicContact CG1-CG 4.44Å; V201-L280 HydrophobicContact CG2-CD1 3.8Å
202K89.7Confident92Very high108 Ų10841.7 Ų41.747%0.4721%0.207SC..Hα-helixtrans-61.4-33.3176-175.2176.1179.7-178.60112K198 Q206 N308K198-K202 WeakPolarHBondContact O-CB 3.28Å; K198-K202 PolarHBondContact O-N 2.65Å; K202-Q206 WeakPolarHBondContact O-CB 3.43Å; K202-N308 PolarHBondContact NZ-OD1 2.72Å
203K88Confident92.2Very high87 Ų8742 Ų4238%0.37821%0.209SC..Hα-helixtrans-76.3-47178.7-177.4175.6174.8-172.50112.4E36 E199 I200 V201 F359E36-K203 IonicContact OE1-NZ 3.47Å; E36-K203 PolarHBondContact OE1-NZ 2.93Å; E199-K203 VanDerWaalsContact O-CB 3.26Å; E199-K203 WeakPolarHBondContact O-CB 3.24Å; E199-K203 PolarHBondContact O-N 2.78Å; I200-K203 PolarHBondContact O-N 2.98Å; V201-K203 PolarHBondContact O-N 3.19Å; K203-F359 HydrophobicContact CG-CD1 4.35Å; K203-F359 HydrophobicContact CG-CE1 4.31Å; K203-F359 WeakPolarHBondContact O-CB 3.4Å; K203-F359 WeakPolarHBondContact O-CG 3.4Å
204H89.8Confident92.3Very high9 Ų937.8 Ų37.84%0.04219%0.19CC..Hα-helixtrans-105.1-26-164-67.3-71.1000115E36 R40 I200 V201 F359E36-H204 IonicContact OE1-CE1 3.04Å; E36-H204 IonicContact OE1-NE2 3.84Å; E36-H204 PolarHBondContact OE1-NE2 2.92Å; R40-H204 HydrophobicContact CB-CB 3.84Å; R40-H204 HydrophobicContact CG-CB 3.91Å; I200-H204 WeakPolarHBondContact O-CB 3.12Å; I200-H204 PolarHBondContact O-CD2 3.08Å; I200-H204 PolarHBondContact O-N 3.38Å; V201-H204 PolarHBondContact O-N 3.16Å; H204-F359 AromaticContact ND1-CD1 3.67Å
205S90.4Very high92.3Very high1 Ų136.1 Ų36.11%0.00718%0.181CC..SBendtrans-130.916.9-167.1-56.60000113.3V201 F207 I208V201-S205 CarbonylContact O-C 3.58Å; V201-S205 WeakPolarHBondContact O-CA 3.37Å; V201-S205 PolarHBondContact O-N 3.07Å; S205-F207 PolarHBondContact O-N 2.75Å; S205-F207 VanDerWaalsContact O-N 3.12Å; S205-I208 PolarHBondContact O-N 3.18Å
206Q87Confident92Very high10 Ų1029.6 Ų29.65%0.04715%0.154CC..THydrogen-bonded Turntrans-55.6-31.4-178.8-174.6176.413.400113.5V201 K202 N281 T283V201-Q206 PolarHBondContact O-N 2.83Å; K202-Q206 WeakPolarHBondContact O-CB 3.43Å; Q206-N281 WeakPolarHBondContact O-CB 3.4Å; Q206-T283 PolarHBondContact NE2-OG1 2.71Å
207F90.1Very high91.4Very high1 Ų133.5 Ų33.50%0.00417%0.174CC..THydrogen-bonded Turntrans-114.717.4-171.8-57.7-63.4000113.8S205 G209 T283 P285 W287 F302 Y354 R357S205-F207 PolarHBondContact O-N 2.75Å; S205-F207 VanDerWaalsContact O-N 3.12Å; F207-G209 PolarHBondContact O-N 2.84Å; F207-T283 HydrophobicContact CE1-CG2 3.87Å; F207-P285 HydrophobicContact CB-CB 4.3Å; F207-P285 HydrophobicContact CD1-CB 4.13Å; F207-P285 HydrophobicContact CG-CB 4.48Å; F207-W287 HydrophobicContact CB-CH2 4.03Å; F207-W287 HydrophobicContact CB-CZ2 4.35Å; F207-W287 AromaticContact CD1-CH2 3.8Å; F207-W287 HydrophobicContact CD1-CH2 3.8Å; F207-W287 HydrophobicContact CD1-CZ3 4.17Å; F207-W287 AromaticContact CD2-CH2 3.48Å; F207-W287 HydrophobicContact CD2-CH2 3.48Å; F207-W287 VanDerWaalsContact CD2-CH2 3.48Å; F207-W287 HydrophobicContact CD2-CZ2 4.39Å; F207-W287 HydrophobicContact CD2-CZ3 4.29Å; F207-W287 HydrophobicContact CE1-CH2 4.07Å; F207-W287 HydrophobicContact CE1-CZ3 4.05Å; F207-W287 AromaticContact CE2-CH2 3.73Å; F207-W287 HydrophobicContact CE2-CH2 3.73Å; F207-W287 HydrophobicContact CE2-CZ3 4.13Å; F207-W287 AromaticContact CG-CH2 3.48Å; F207-W287 HydrophobicContact CG-CH2 3.48Å; F207-W287 VanDerWaalsContact CG-CH2 3.48Å; F207-W287 HydrophobicContact CG-CZ2 4.28Å; F207-W287 HydrophobicContact CG-CZ3 4.27Å; F207-W287 HydrophobicContact CZ-CH2 4.03Å; F207-W287 HydrophobicContact CZ-CZ3 4.01Å; F207-F302 AromaticContact CE1-CE2 3.62Å; F207-F302 HydrophobicContact CE1-CE2 3.62Å; F207-F302 HydrophobicContact CE1-CZ 4.37Å; F207-F302 AromaticContact CZ-CE2 3.68Å; F207-F302 HydrophobicContact CZ-CE2 3.68Å; F207-F302 HydrophobicContact CZ-CZ 4.02Å; F207-Y354 HydrophobicContact CD2-CD1 4.16Å; F207-Y354 AromaticContact CD2-CE1 3.52Å; F207-Y354 HydrophobicContact CD2-CE1 3.52Å; F207-Y354 AromaticContact CD2-CZ 3.74Å; F207-Y354 AromaticContact CE2-CE1 3.96Å; F207-Y354 HydrophobicContact CE2-CE1 3.96Å; F207-Y354 HydrophobicContact CE2-CE2 4.31Å; F207-Y354 AromaticContact CE2-CZ 3.66Å; F207-Y354 WeakPolarHBondContact CE2-OH 3.48Å; F207-R357 HydrophobicContact CB-CB 4.11Å; F207-R357 WeakPolarHBondContact O-CB 3.4Å
208I90.2Very high90.9Very high9 Ų936.3 Ų36.35%0.04619%0.186CC..  trans-61.9135.7167.2-65-62.7000108.7I43 S205 Y210 I212 N281 V358I43-I208 HydrophobicContact CG2-CG1 4.11Å; S205-I208 PolarHBondContact O-N 3.18Å; I208-Y210 PolarHBondContact O-N 3.02Å; I208-I212 HydrophobicContact CB-CD1 4.07Å; I208-I212 HydrophobicContact CG1-CD1 4.38Å; I208-I212 HydrophobicContact CG2-CD1 4.37Å; I208-N281 PolarHBondContact O-ND2 3.27Å; I208-V358 HydrophobicContact CD1-CG2 3.79Å
209G88.5Confident90.3Very high59 Ų5938.5 Ų38.561%0.60820%0.197SC*.SBendtrans-73.7-10.7-170.700000115.3F207F207-G209 PolarHBondContact O-N 2.84Å
210Y92.6Very high89.7Confident21 Ų2140.3 Ų40.38%0.08220%0.2CC..SBendtrans-106.7144.7-179.6-60.9-76.7000110.9L50 D51 R54 L70 I208 I212 N281L50-Y210 HydrophobicContact CB-CD1 4.09Å; L50-Y210 HydrophobicContact CB-CD2 3.77Å; L50-Y210 HydrophobicContact CB-CE1 3.9Å; L50-Y210 HydrophobicContact CB-CE2 3.56Å; L50-Y210 HydrophobicContact CB-CG 4.04Å; L50-Y210 HydrophobicContact CD1-CD1 4.04Å; L50-Y210 HydrophobicContact CD1-CD2 3.78Å; L50-Y210 HydrophobicContact CD1-CE2 4.45Å; L50-Y210 HydrophobicContact CD1-CG 3.55Å; L50-Y210 HydrophobicContact CG-CD2 4.43Å; L50-Y210 HydrophobicContact CG-CG 4.39Å; D51-Y210 WeakPolarHBondContact CA-OH 3.1Å; D51-Y210 WeakPolarHBondContact OD1-CE2 3.44Å; D51-Y210 PolarHBondContact OD1-OH 3.05Å; R54-Y210 VanDerWaalsContact CD-OH 3.28Å; R54-Y210 WeakPolarHBondContact CD-OH 3.36Å; L70-Y210 HydrophobicContact CB-CD1 3.8Å; L70-Y210 HydrophobicContact CB-CE1 3.91Å; L70-Y210 HydrophobicContact CD1-CE1 3.92Å; I208-Y210 PolarHBondContact O-N 3.02Å; Y210-I212 PolarHBondContact O-N 3.24Å; Y210-N281 PolarHBondContact O-ND2 3.08Å
211P95Very high89.1Confident52 Ų5245.1 Ų45.134%0.33823%0.226SC..  trans-57.7130.4176.4-24.234.2000112L70 K71 I72L70-P211 WeakPolarHBondContact O-CD 3.36Å; K71-P211 HydrophobicContact CB-CB 4.46Å; I72-P211 PolarHBondContact N-O 3.46Å
212I96.4Very high88.2Confident0 Ų048.9 Ų48.90%024%0.242CC..EExtended strand (participates in β ladder)trans-109.8114.4173.4-57.2169.8000107.3I43 I72 I74 V201 I208 Y210 E279 L280 N281I43-I212 HydrophobicContact CD1-CD1 4.5Å; I43-I212 HydrophobicContact CG2-CD1 3.8Å; I72-I212 HydrophobicContact CB-CG1 4.38Å; I72-I212 HydrophobicContact CD1-CG1 4.47Å; I72-I212 CarbonylContact O-C 3.56Å; I72-I212 VanDerWaalsContact O-CA 3.28Å; I72-I212 WeakPolarHBondContact O-CA 3.18Å; I74-I212 HydrophobicContact CD1-CG2 3.78Å; I74-I212 HydrophobicContact CG1-CG2 4.32Å; V201-I212 HydrophobicContact CG1-CD1 4.19Å; V201-I212 HydrophobicContact CG1-CG2 4.13Å; I208-I212 HydrophobicContact CB-CD1 4.07Å; I208-I212 HydrophobicContact CG1-CD1 4.38Å; I208-I212 HydrophobicContact CG2-CD1 4.37Å; Y210-I212 PolarHBondContact O-N 3.24Å; I212-E279 WeakPolarHBondContact O-CA 3.39Å; I212-L280 HydrophobicContact CG2-CD1 4.41Å; I212-L280 PolarHBondContact O-N 2.82Å; I212-N281 HydrophobicContact CD1-CB 4.42Å; I212-N281 PolarHBondContact N-OD1 3.47Å
213T96.8Very high87.2Confident15 Ų1548.9 Ų48.99%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-106.814717978.30000111.5I72 D73 I74 F215 E278I72-T213 PolarHBondContact O-N 3.39Å; D73-T213 PolarHBondContact OD1-OG1 3.03Å; I74-T213 PolarHBondContact N-O 3.48Å; T213-F215 WeakPolarHBondContact OG1-CE2 3.35Å; T213-E278 CarbonylContact C-O 3.58Å; T213-E278 VanDerWaalsContact CA-O 3.31Å; T213-E278 WeakPolarHBondContact CA-O 3.49Å
214L96Very high86Confident1 Ų145.1 Ų45.11%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-115.9127.5172.2-17962.9000109.5I74 P76 E194 V197 K198 V216 E278 L280I74-L214 HydrophobicContact CB-CD1 3.94Å; I74-L214 HydrophobicContact CG2-CD1 3.82Å; P76-L214 HydrophobicContact CG-CD1 3.8Å; E194-L214 HydrophobicContact CG-CD2 4.01Å; V197-L214 HydrophobicContact CB-CD1 4.42Å; V197-L214 HydrophobicContact CB-CD2 4.4Å; V197-L214 HydrophobicContact CG1-CD1 3.81Å; V197-L214 HydrophobicContact CG1-CD2 4.24Å; K198-L214 HydrophobicContact CG-CD2 3.95Å; L214-V216 HydrophobicContact CB-CG2 4.49Å; L214-V216 HydrophobicContact CD2-CG2 3.92Å; L214-V216 HydrophobicContact CG-CG2 3.78Å; L214-E278 PolarHBondContact N-O 3.47Å; L214-E278 PolarHBondContact O-N 2.79Å; L214-L280 HydrophobicContact CB-CD1 3.92Å; L214-L280 HydrophobicContact CB-CD2 4Å; L214-L280 HydrophobicContact CB-CG 4.02Å; L214-L280 HydrophobicContact CD2-CD1 4.49Å; L214-L280 HydrophobicContact CD2-CD2 4.41Å
215F93.3Very high84.6Confident38 Ų3846.2 Ų46.217%0.16724%0.236CC..EExtended strand (participates in β ladder)trans-87113.2176.9-75.6-127.7000108.2D73 I74 I75 P76 T213 I275 Q277D73-F215 HydrophobicContact CB-CD2 4.36Å; D73-F215 HydrophobicContact CB-CE2 3.67Å; D73-F215 HydrophobicContact CB-CZ 4.4Å; I74-F215 PolarHBondContact O-N 2.87Å; I75-F215 HydrophobicContact CB-CB 4.44Å; I75-F215 HydrophobicContact CD1-CD1 4.38Å; I75-F215 HydrophobicContact CD1-CE1 4.43Å; I75-F215 HydrophobicContact CG1-CB 4.21Å; I75-F215 HydrophobicContact CG1-CD1 4.17Å; I75-F215 HydrophobicContact CG1-CD2 3.87Å; I75-F215 HydrophobicContact CG1-CE2 4.32Å; I75-F215 HydrophobicContact CG1-CG 3.83Å; I75-F215 HydrophobicContact CG2-CB 4.23Å; P76-F215 WeakPolarHBondContact CD-O 3.34Å; T213-F215 WeakPolarHBondContact OG1-CE2 3.35Å; F215-I275 HydrophobicContact CB-CG2 3.96Å; F215-I275 HydrophobicContact CD1-CG2 3.56Å; F215-I275 HydrophobicContact CE1-CG2 4.39Å; F215-I275 HydrophobicContact CG-CG2 4.07Å; F215-Q277 HydrophobicContact CD1-CG 4.38Å; F215-Q277 HydrophobicContact CD2-CG 4.25Å; F215-Q277 HydrophobicContact CE1-CG 4.07Å; F215-Q277 HydrophobicContact CE2-CG 3.94Å; F215-Q277 HydrophobicContact CG-CG 4.44Å; F215-Q277 HydrophobicContact CZ-CG 3.84Å; F215-Q277 VanDerWaalsContact CZ-NE2 3.29Å
216V86Confident83.1Confident12 Ų1248.1 Ų48.17%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-119.1127.5-177.6-173.60000109.4E194 L214 K218 I275 D276E194-V216 HydrophobicContact CG-CG1 4.25Å; E194-V216 HydrophobicContact CG-CG2 3.94Å; E194-V216 VanDerWaalsContact OE2-CG1 3.26Å; E194-V216 WeakPolarHBondContact OE2-CG1 3.42Å; L214-V216 HydrophobicContact CB-CG2 4.49Å; L214-V216 HydrophobicContact CD2-CG2 3.92Å; L214-V216 HydrophobicContact CG-CG2 3.78Å; V216-K218 HydrophobicContact CG1-CG 4.18Å; V216-K218 PolarHBondContact O-N 2.81Å; V216-I275 WeakPolarHBondContact O-CA 3.29Å; V216-D276 PolarHBondContact N-O 3.37Å; V216-D276 PolarHBondContact O-N 3.48Å
217E82.6Confident81.9Confident128 Ų12852.3 Ų52.360%0.59827%0.269SS*.EExtended strand (participates in β ladder)trans-75.8115171.9-169179.5148.700109.3K273E217-K273 HydrophobicContact CG-CB 4.5Å; E217-K273 HydrophobicContact CG-CD 4.22Å; E217-K273 WeakPolarHBondContact OE1-CD 3.46Å; E217-K273 WeakPolarHBondContact OE1-CE 3.1Å; E217-K273 IonicContact OE1-NZ 3.39Å; E217-K273 PolarHBondContact OE1-NZ 3.27Å
218K82.1Confident80.3Confident60 Ų6057.3 Ų57.326%0.26129%0.293SS..EExtended strand (participates in β ladder)trans-118.1154.7178.2-69.9-171.1-179.2172.40111.2V216 K273 Y274 D276 E278V216-K218 HydrophobicContact CG1-CG 4.18Å; V216-K218 PolarHBondContact O-N 2.81Å; K218-K273 CarbonylContact O-C 3.55Å; K218-K273 WeakPolarHBondContact O-CA 3.22Å; K218-Y274 HydrophobicContact CB-CD1 4.23Å; K218-Y274 HydrophobicContact CB-CE1 3.62Å; K218-Y274 HydrophobicContact CB-CE2 4.29Å; K218-Y274 PolarHBondContact N-O 2.93Å; K218-Y274 WeakPolarHBondContact O-CD1 3.24Å; K218-Y274 PolarHBondContact O-N 3.44Å; K218-D276 HydrophobicContact CD-CB 3.83Å; K218-D276 WeakPolarHBondContact CE-OD2 3.12Å; K218-D276 HydrophobicContact CG-CB 4.25Å; K218-D276 IonicContact NZ-OD2 3.66Å; K218-D276 PolarHBondContact NZ-OD2 2.88Å; K218-E278 WeakPolarHBondContact CE-OE1 3.43Å; K218-E278 IonicContact NZ-OE1 3.56Å; K218-E278 PolarHBondContact NZ-OE1 2.98Å
219E81.7Confident78.6Confident102 Ų10257 Ų5748%0.47729%0.291SS..EExtended strand (participates in β ladder)trans-105.9134.2174.4-60.4-171.1164.500110.1K271 K273E219-K271 WeakPolarHBondContact OE2-CD 3.31Å; E219-K271 IonicContact OE2-NZ 3.52Å; E219-K271 PolarHBondContact OE2-NZ 2.95Å; E219-K273 HydrophobicContact CG-CG 4.34Å
220R80.8Confident77.1Confident130 Ų13060.5 Ų60.549%0.49129%0.292SS..EExtended strand (participates in β ladder)trans-127.2147.4168.166.6-177.2-175-173.5-0.9111.2K222 E272 Y274R220-K222 PolarHBondContact O-N 3.48Å; R220-E272 HydrophobicContact CG-CB 4.35Å; R220-E272 IonicContact CZ-OE2 3.15Å; R220-E272 PolarHBondContact N-O 3.01Å; R220-E272 IonicContact NE-OE2 3.49Å; R220-E272 PolarHBondContact NE-OE2 3.09Å; R220-E272 IonicContact NH2-OE2 2.91Å; R220-E272 PolarHBondContact NH2-OE2 3.5Å; R220-E272 PolarHBondContact O-N 3.26Å; R220-Y274 HydrophobicContact CB-CD1 4.2Å; R220-Y274 HydrophobicContact CB-CE1 3.83Å; R220-Y274 HydrophobicContact CG-CD1 3.8Å; R220-Y274 HydrophobicContact CG-CE1 3.93Å
221D80.3Confident75.4Confident104 Ų10466.1 Ų66.156%0.55632%0.319SS*.EExtended strand (participates in β ladder)trans-76.4114172.1-67.7-23.5000109.5K269D221-K269 HydrophobicContact CB-CB 4.5Å; D221-K269 HydrophobicContact CB-CD 4.35Å
222K75.1Confident73.6Confident80 Ų8066.7 Ų66.735%0.34832%0.317SS..EExtended strand (participates in β ladder)trans-96.8122170.4-167179.3-1721740108.4R220 I224 K269 I270 E272R220-K222 PolarHBondContact O-N 3.48Å; K222-I224 PolarHBondContact O-N 3.32Å; K222-K269 WeakPolarHBondContact O-CA 3.44Å; K222-I270 PolarHBondContact N-O 3.13Å; K222-I270 PolarHBondContact O-N 3.15Å; K222-E272 HydrophobicContact CB-CB 4.24Å; K222-E272 HydrophobicContact CD-CB 4.44Å; K222-E272 IonicContact NZ-OE1 2.65Å; K222-E272 PolarHBondContact NZ-OE1 3.01Å
223E68.6Low71.6Confident107 Ų10772.6 Ų72.650%0.534%0.343SS..EExtended strand (participates in β ladder)trans-79.3108.8171-76.9-171.8-179.600108.9K267 K269E223-K267 HydrophobicContact CB-CB 4.48Å; E223-K267 HydrophobicContact CB-CD 4.29Å; E223-K267 VanDerWaalsContact OE2-CD 3.23Å; E223-K267 WeakPolarHBondContact OE2-CD 3.35Å; E223-K267 IonicContact OE2-NZ 2.95Å; E223-K269 HydrophobicContact CG-CG 3.91Å; E223-K269 WeakPolarHBondContact OE1-CE 3.32Å
224I63.7Low69.5Low8 Ų874.3 Ų74.34%0.04136%0.359CS..EExtended strand (participates in β ladder)trans-107150.4177-5.3-170.4000110.8K222 E228 E232 K268 I270K222-I224 PolarHBondContact O-N 3.32Å; I224-E228 HydrophobicContact CB-CB 4.27Å; I224-E228 HydrophobicContact CG2-CB 3.45Å; I224-E228 VanDerWaalsContact CG2-CB 3.45Å; I224-E228 HydrophobicContact CG2-CG 4.25Å; I224-E228 WeakPolarHBondContact CG2-OE2 3.48Å; I224-E232 WeakPolarHBondContact CD1-OE2 3.39Å; I224-K268 PolarHBondContact N-O 3.07Å; I224-K268 PolarHBondContact O-N 2.76Å; I224-I270 HydrophobicContact CD1-CB 3.85Å; I224-I270 HydrophobicContact CD1-CD1 3.35Å; I224-I270 HydrophobicContact CD1-CG1 4Å; I224-I270 HydrophobicContact CG1-CB 4.15Å; I224-I270 HydrophobicContact CG1-CD1 3.85Å; I224-I270 HydrophobicContact CG1-CG1 4.2Å
225S60Low67.4Low32 Ų3280.2 Ų80.222%0.22439%0.386CS..  trans-70.5154.1174.586.60000110D227 E228 A229S225-D227 PolarHBondContact O-N 3.48Å; S225-D227 VanDerWaalsContact O-N 3.09Å; S225-E228 PolarHBondContact O-N 3.34Å; S225-E228 VanDerWaalsContact O-N 3.09Å; S225-A229 PolarHBondContact O-N 3.44Å
226D59.2Low65.5Low41 Ų4184 Ų8422%0.21940%0.402CS..Hα-helixtrans-53.7-32.6-177.7-84.9-46.7000112.8A229 E230 K268D226-A229 PolarHBondContact O-N 3.46Å; D226-E230 PolarHBondContact O-N 3.28Å; D226-K268 WeakPolarHBondContact OD1-CE 3.15Å; D226-K268 IonicContact OD1-NZ 3.1Å; D226-K268 PolarHBondContact OD1-NZ 3.03Å
227D60.9Low63.7Low98 Ų9889.8 Ų89.852%0.52443%0.429SS..Hα-helixtrans-69.2-41179.9-49.6-43.8000112S225 K265S225-D227 PolarHBondContact O-N 3.48Å; S225-D227 VanDerWaalsContact O-N 3.09Å; D227-K265 IonicContact OD2-NZ 2.89Å; D227-K265 PolarHBondContact OD2-NZ 2.97Å
228E56.9Low62Low107 Ų10791.2 Ų91.250%0.544%0.435SS..Hα-helixtrans-77.5-26.3177.9-70.9175.6-152.400112.1I224 S225 E232I224-E228 HydrophobicContact CB-CB 4.27Å; I224-E228 HydrophobicContact CG2-CB 3.45Å; I224-E228 VanDerWaalsContact CG2-CB 3.45Å; I224-E228 HydrophobicContact CG2-CG 4.25Å; I224-E228 WeakPolarHBondContact CG2-OE2 3.48Å; S225-E228 PolarHBondContact O-N 3.34Å; S225-E228 VanDerWaalsContact O-N 3.09Å; E228-E232 PolarHBondContact O-N 2.91Å
229A53.3Low60.3Low2 Ų296.7 Ų96.72%0.01746%0.459CS..Hα-helixtrans-75.1-25.6176.600000113.1S225 D226 K233 K268 I270S225-A229 PolarHBondContact O-N 3.44Å; D226-A229 PolarHBondContact O-N 3.46Å; A229-K233 WeakPolarHBondContact O-CB 3.4Å; A229-K233 WeakPolarHBondContact O-CG 3.46Å; A229-K233 PolarHBondContact O-N 3.15Å; A229-K268 HydrophobicContact CB-CB 4.37Å; A229-K268 HydrophobicContact CB-CD 4.21Å; A229-I270 HydrophobicContact CB-CD1 3.8Å
230E57.5Low58.4Low132 Ų13298.9 Ų98.962%0.61747%0.47SS*.Hα-helixtrans-75.9-37172-76.1-176.8179.600111.6D226 K233 A234D226-E230 PolarHBondContact O-N 3.28Å; E230-K233 PolarHBondContact O-N 3.41Å; E230-A234 WeakPolarHBondContact O-CB 3.38Å; E230-A234 PolarHBondContact O-N 3.43Å
231E57.5Low56.4Low140 Ų140101.2 Ų101.265%0.65449%0.486SS*.Hα-helixtrans-64.4-46.3173.7-74.8-177.8164.800112.6K233 A234 E235E231-K233 VanDerWaalsContact C-N 3.29Å; E231-K233 PolarHBondContact O-N 3.43Å; E231-A234 PolarHBondContact O-N 3.37Å; E231-E235 PolarHBondContact O-N 3.23Å
232E56.6Low54.7Low64 Ų6499.6 Ų99.630%0.29949%0.494SS..Hα-helixtrans-66.5-29.4176.3-91.8-167.2178.900113.1I224 E228 K236 I270I224-E232 WeakPolarHBondContact CD1-OE2 3.39Å; E228-E232 PolarHBondContact O-N 2.91Å; E232-K236 PolarHBondContact O-N 3.04Å; E232-K236 VanDerWaalsContact O-N 3.14Å; E232-I270 WeakPolarHBondContact OE2-CG2 3.36Å
233K54.7Low53.1Low124 Ų124104.5 Ų104.554%0.53952%0.518SS..Hα-helixtrans-71.5-41.4173.2-84.8-173.4174.3-163.60111.5A229 E230 E231 E235 K236 E237A229-K233 WeakPolarHBondContact O-CB 3.4Å; A229-K233 WeakPolarHBondContact O-CG 3.46Å; A229-K233 PolarHBondContact O-N 3.15Å; E230-K233 PolarHBondContact O-N 3.41Å; E231-K233 VanDerWaalsContact C-N 3.29Å; E231-K233 PolarHBondContact O-N 3.43Å; K233-E235 VanDerWaalsContact C-N 3.35Å; K233-K236 PolarHBondContact O-N 2.9Å; K233-E237 WeakPolarHBondContact O-CB 3.46Å; K233-E237 WeakPolarHBondContact O-CG 3.34Å; K233-E237 PolarHBondContact O-N 3.29Å
234A53.5Low51.7Low51 Ų51107.7 Ų107.742%0.42154%0.539SS..Hα-helixtrans-62.3-40.9174.500000111.7E230 E231 K236 E237 E238E230-A234 WeakPolarHBondContact O-CB 3.38Å; E230-A234 PolarHBondContact O-N 3.43Å; E231-A234 PolarHBondContact O-N 3.37Å; A234-K236 VanDerWaalsContact C-N 3.32Å; A234-K236 PolarHBondContact O-N 3.39Å; A234-E237 PolarHBondContact O-N 2.78Å; A234-E238 PolarHBondContact O-N 2.75Å
235E52Low50.3Low124 Ų124116.7 Ų116.758%0.57958%0.577SS**Hα-helixtrans-66.9-29174.4-78.8-166165.100113.7E231 K233 K239E231-E235 PolarHBondContact O-N 3.23Å; K233-E235 VanDerWaalsContact C-N 3.35Å; E235-K239 WeakPolarHBondContact O-CG 3.36Å; E235-K239 PolarHBondContact O-N 3.39Å
236K52.6Low49.3Very low118 Ų118121 Ų12151%0.51361%0.605SS.*Hα-helixtrans-77.3-39.8173.2-82.3179.2178169.90112.1E232 K233 A234 K239 E240E232-K236 PolarHBondContact O-N 3.04Å; E232-K236 VanDerWaalsContact O-N 3.14Å; K233-K236 PolarHBondContact O-N 2.9Å; A234-K236 VanDerWaalsContact C-N 3.32Å; A234-K236 PolarHBondContact O-N 3.39Å; K236-K239 PolarHBondContact O-N 3.42Å; K236-K239 VanDerWaalsContact O-N 3.17Å; K236-E240 PolarHBondContact O-N 2.97Å
237E48.4Very low48Very low134 Ų134129.2 Ų129.263%0.62664%0.639SS**Hα-helixtrans-66.1-38.3175.3-74.9-178.9178.100111.5K233 A234 K239 E240 E241K233-E237 WeakPolarHBondContact O-CB 3.46Å; K233-E237 WeakPolarHBondContact O-CG 3.34Å; K233-E237 PolarHBondContact O-N 3.29Å; A234-E237 PolarHBondContact O-N 2.78Å; E237-K239 PolarHBondContact O-N 3.41Å; E237-E240 PolarHBondContact O-N 3.09Å; E237-E240 VanDerWaalsContact O-N 3.17Å; E237-E241 PolarHBondContact O-N 2.94Å
238E46.2Very low46.7Very low158 Ų158132.3 Ų132.374%0.73865%0.653SS**Hα-helixtrans-65-24.9171.5-83.1-168.7161.400113.4A234A234-E238 PolarHBondContact O-N 2.75Å
239K46.7Very low45.5Very low174 Ų174135.5 Ų135.576%0.75767%0.669SS**Hα-helixtrans-85.7-21.4173.9-77.6176.1-179164.40113.3E235 K236 E237E235-K239 WeakPolarHBondContact O-CG 3.36Å; E235-K239 PolarHBondContact O-N 3.39Å; K236-K239 PolarHBondContact O-N 3.42Å; K236-K239 VanDerWaalsContact O-N 3.17Å; E237-K239 PolarHBondContact O-N 3.41Å
240E41.2Very low44.3Very low149 Ų149143.3 Ų143.370%0.69671%0.71SS**Hα-helixtrans-94.8-14.1179.4-76.9-173.4171.900113.9K236 E237 G242 E243K236-E240 PolarHBondContact O-N 2.97Å; E237-E240 PolarHBondContact O-N 3.09Å; E237-E240 VanDerWaalsContact O-N 3.17Å; E240-G242 PolarHBondContact O-N 3.13Å; E240-E243 PolarHBondContact O-N 2.98Å
241E40.4Very low43Very low178 Ų178143.2 Ų143.283%0.83272%0.718SS**THydrogen-bonded Turntrans-64.46.6172.3-85.5-165.5158.700115E237E237-E241 PolarHBondContact O-N 2.94Å
242G43.2Very low41.7Very low71 Ų71139.6 Ų139.673%0.73272%0.719SS**THydrogen-bonded Turntrans-88.5-8.817100000116.1E240E240-G242 PolarHBondContact O-N 3.13Å
243E41.1Very low40.3Very low182 Ų182142.4 Ų142.485%0.8575%0.745SS**SBendtrans-131.2113.2-179.9-71.9-167.1160.700113.4E240 K245E240-E243 PolarHBondContact O-N 2.98Å; E243-K245 PolarHBondContact O-N 2.86Å
244D39.5Very low39.2Very low174 Ų174143.8 Ų143.893%0.9376%0.758SS**  trans-60.2112.1178.3-109.3-29000113.5
245K34.4Very low38.1Very low197 Ų197149.3 Ų149.386%0.85778%0.781SS**  trans-146.9145.4155.1-87.4-171.2-176.6165.10112.9E243E243-K245 PolarHBondContact O-N 2.86Å
246P38.5Very low37.1Very low124 Ų124151.7 Ų151.781%0.80579%0.792SS**PPolyproline II helixtrans-85.7145.1-165.233.7-35000114.8
247K32.3Very low36Very low212 Ų212154.1 Ų154.192%0.92281%0.805SS**PPolyproline II helixtrans-67.9134.2174.4-87.8176.3174170.80112.5
248I33.4Very low35.1Very low163 Ų163154.6 Ų154.684%0.83681%0.812SS**PPolyproline II helixtrans-102.6120.6161.9-66.7170.5000107.3
249E31.8Very low34.2Very low175 Ų175151.6 Ų151.682%0.81881%0.809SS**PPolyproline II helixtrans-71.7135.5165.4-75.4178.5146.700109.4
250D29Very low33.4Very low165 Ų165152.8 Ų152.888%0.88281%0.814SS**  trans-130.3129.7159.1-139.2-9.8000109.7
251V30.7Very low32.9Very low130 Ų130153.8 Ų153.879%0.78882%0.824SS**  trans-112129.9-165.7-179.80000109
252G29.6Very low32.7Very low65 Ų65154.6 Ų154.667%0.6783%0.825SS**  trans112117149.600000116
253S27.7Very low32.5Very low122 Ų122158.9 Ų158.985%0.85383%0.831SS**  174.5129.879.639.40000109.7
254D31.9Very low32.4Very low153 Ų153159.8 Ų159.882%0.81883%0.832SS**  trans-68.2143165-77.5-38.9000109.9
255D30.4Very low32.6Very low168 Ų168157.9 Ų157.990%0.89882%0.815SS**  trans-159.9121.9136.3-93.3-28.1000109.6
256E30.7Very low33.3Very low174 Ų174156.8 Ų156.881%0.81381%0.811SS**  trans-62.9154.5170.6-58.3177144.200109.3
257E29.3Very low33.8Very low168 Ų168157.4 Ų157.479%0.78580%0.801SS**  179.8151.356.8-143.3172.3-157.400109.1
258D29.1Very low35.1Very low144 Ų144151.6 Ų151.677%0.7778%0.775SS**  trans110.9114.9136.2-122.8-4.4000123.6
259S26.8Very low36.6Very low96 Ų96150.2 Ų150.267%0.67176%0.763SS**  trans85.5107.214680.30000122.8
260K30.9Very low38.8Very low199 Ų199143.3 Ų143.387%0.86573%0.732SS**  trans58.195.9132.2-64.3177.7-179.6171.50119.9
261D29.7Very low41Very low169 Ų169141.6 Ų141.690%0.90472%0.717SS**  -171.3127.1111.6-113-22.6000110.1
262K37.7Very low43.4Very low196 Ų196137.7 Ų137.785%0.85269%0.689SS**  trans-79.6149.4168.9-81.8178.8172.8179.80108.6
263D38.2Very low45.9Very low161 Ų161140.7 Ų140.786%0.86168%0.684SS**  trans84.960177.3-66-27.2000119.3
264K38.7Very low48.5Very low200 Ų200138.5 Ų138.587%0.8766%0.658SS**  trans-140.895.8140-92.9178.5-175.2168.70109.9K266K264-K266 PolarHBondContact O-N 2.89Å; K264-K266 VanDerWaalsContact O-N 3.13Å
265K44.9Very low51.1Low134 Ų134136.7 Ų136.758%0.58365%0.647SS**  trans-46.9118163.7-86.5-171.2166.1-162.40108.1D227 K267D227-K265 IonicContact OD2-NZ 2.89Å; D227-K265 PolarHBondContact OD2-NZ 2.97Å; K265-K267 PolarHBondContact O-N 2.93Å
266K47.1Very low53.8Low175 Ų175131 Ų13176%0.76162%0.616SS**  trans-7297.9175.4-93-177.5176.1175.30107.6K264 K268K264-K266 PolarHBondContact O-N 2.89Å; K264-K266 VanDerWaalsContact O-N 3.13Å; K266-K268 PolarHBondContact O-N 3.19Å
267K50.2Low56.7Low137 Ų137127.7 Ų127.760%0.59660%0.601SS**PPolyproline II helixtrans-63.6125.3174.4-62.9-178.5178.2-174.50109.8E223 K265E223-K267 HydrophobicContact CB-CB 4.48Å; E223-K267 HydrophobicContact CB-CD 4.29Å; E223-K267 VanDerWaalsContact OE2-CD 3.23Å; E223-K267 WeakPolarHBondContact OE2-CD 3.35Å; E223-K267 IonicContact OE2-NZ 2.95Å; K265-K267 PolarHBondContact O-N 2.93Å
268K58.4Low59.7Low90 Ų90121.8 Ų121.839%0.39157%0.573SS.*EExtended strand (participates in β ladder)trans-91138172.7-74.1175-176.2128.10108.8I224 D226 A229 K266I224-K268 PolarHBondContact N-O 3.07Å; I224-K268 PolarHBondContact O-N 2.76Å; D226-K268 WeakPolarHBondContact OD1-CE 3.15Å; D226-K268 IonicContact OD1-NZ 3.1Å; D226-K268 PolarHBondContact OD1-NZ 3.03Å; A229-K268 HydrophobicContact CB-CB 4.37Å; A229-K268 HydrophobicContact CB-CD 4.21Å; K266-K268 PolarHBondContact O-N 3.19Å
269K66.4Low62.7Low133 Ų133119.1 Ų119.158%0.57856%0.556SS**EExtended strand (participates in β ladder)trans-92.1121.6174.5-70-176.5177.3-170.50108.7D221 K222 E223D221-K269 HydrophobicContact CB-CB 4.5Å; D221-K269 HydrophobicContact CB-CD 4.35Å; K222-K269 WeakPolarHBondContact O-CA 3.44Å; E223-K269 HydrophobicContact CG-CG 3.91Å; E223-K269 WeakPolarHBondContact OE1-CE 3.32Å
270I77.9Confident65.7Low31 Ų31116.3 Ų116.316%0.15953%0.533CS..EExtended strand (participates in β ladder)trans-114.5140.6173.7-64.4167.7000108.2K222 I224 A229 E232 E272K222-I270 PolarHBondContact N-O 3.13Å; K222-I270 PolarHBondContact O-N 3.15Å; I224-I270 HydrophobicContact CD1-CB 3.85Å; I224-I270 HydrophobicContact CD1-CD1 3.35Å; I224-I270 HydrophobicContact CD1-CG1 4Å; I224-I270 HydrophobicContact CG1-CB 4.15Å; I224-I270 HydrophobicContact CG1-CD1 3.85Å; I224-I270 HydrophobicContact CG1-CG1 4.2Å; A229-I270 HydrophobicContact CB-CD1 3.8Å; E232-I270 WeakPolarHBondContact OE2-CG2 3.36Å; I270-E272 PolarHBondContact O-N 3.11Å
271K75.8Confident68.5Low129 Ų129107.3 Ų107.356%0.56150%0.495SS*.EExtended strand (participates in β ladder)trans-77.9107.2176.6-70.8177.5155.9-144.70109.6E219E219-K271 WeakPolarHBondContact OE2-CD 3.31Å; E219-K271 IonicContact OE2-NZ 3.52Å; E219-K271 PolarHBondContact OE2-NZ 2.95Å
272E80.7Confident71.2Confident47 Ų47106.2 Ų106.222%0.2248%0.482CS..EExtended strand (participates in β ladder)trans-91.7124.8173.6-175.7-177.6-130.100108.9R220 K222 I270R220-E272 HydrophobicContact CG-CB 4.35Å; R220-E272 IonicContact CZ-OE2 3.15Å; R220-E272 PolarHBondContact N-O 3.01Å; R220-E272 IonicContact NE-OE2 3.49Å; R220-E272 PolarHBondContact NE-OE2 3.09Å; R220-E272 IonicContact NH2-OE2 2.91Å; R220-E272 PolarHBondContact NH2-OE2 3.5Å; R220-E272 PolarHBondContact O-N 3.26Å; K222-E272 HydrophobicContact CB-CB 4.24Å; K222-E272 HydrophobicContact CD-CB 4.44Å; K222-E272 IonicContact NZ-OE1 2.65Å; K222-E272 PolarHBondContact NZ-OE1 3.01Å; I270-E272 PolarHBondContact O-N 3.11Å
273K80.8Confident73.3Confident129 Ų12998.6 Ų98.656%0.56145%0.452SS*.EExtended strand (participates in β ladder)trans-82.7129.4172.2-58-154.2-178.5177.30109.5E217 K218 E219E217-K273 HydrophobicContact CG-CB 4.5Å; E217-K273 HydrophobicContact CG-CD 4.22Å; E217-K273 WeakPolarHBondContact OE1-CD 3.46Å; E217-K273 WeakPolarHBondContact OE1-CE 3.1Å; E217-K273 IonicContact OE1-NZ 3.39Å; E217-K273 PolarHBondContact OE1-NZ 3.27Å; K218-K273 CarbonylContact O-C 3.55Å; K218-K273 WeakPolarHBondContact O-CA 3.22Å; E219-K273 HydrophobicContact CG-CG 4.34Å
274Y83.6Confident75.5Confident76 Ų7698.7 Ų98.730%0.29845%0.445SS..EExtended strand (participates in β ladder)trans-134.1153.817673.6-80.2000110.5K218 R220 D276K218-Y274 HydrophobicContact CB-CD1 4.23Å; K218-Y274 HydrophobicContact CB-CE1 3.62Å; K218-Y274 HydrophobicContact CB-CE2 4.29Å; K218-Y274 PolarHBondContact N-O 2.93Å; K218-Y274 WeakPolarHBondContact O-CD1 3.24Å; K218-Y274 PolarHBondContact O-N 3.44Å; R220-Y274 HydrophobicContact CB-CD1 4.2Å; R220-Y274 HydrophobicContact CB-CE1 3.83Å; R220-Y274 HydrophobicContact CG-CD1 3.8Å; R220-Y274 HydrophobicContact CG-CE1 3.93Å; Y274-D276 HydrophobicContact CD2-CB 4.43Å; Y274-D276 HydrophobicContact CE2-CB 3.83Å
275I85.1Confident77.9Confident114 Ų11490.2 Ų90.259%0.58541%0.41SS*.EExtended strand (participates in β ladder)trans-90.3117.6175-61.4176.3000107.8F215 V216F215-I275 HydrophobicContact CB-CG2 3.96Å; F215-I275 HydrophobicContact CD1-CG2 3.56Å; F215-I275 HydrophobicContact CE1-CG2 4.39Å; F215-I275 HydrophobicContact CG-CG2 4.07Å; V216-I275 WeakPolarHBondContact O-CA 3.29Å
276D88.7Confident80.2Confident48 Ų4884.2 Ų84.226%0.25738%0.384SS..EExtended strand (participates in β ladder)trans-93.1133.7171-163.614.6000109.7V216 K218 Y274V216-D276 PolarHBondContact N-O 3.37Å; V216-D276 PolarHBondContact O-N 3.48Å; K218-D276 HydrophobicContact CD-CB 3.83Å; K218-D276 WeakPolarHBondContact CE-OD2 3.12Å; K218-D276 HydrophobicContact CG-CB 4.25Å; K218-D276 IonicContact NZ-OD2 3.66Å; K218-D276 PolarHBondContact NZ-OD2 2.88Å; Y274-D276 HydrophobicContact CD2-CB 4.43Å; Y274-D276 HydrophobicContact CE2-CB 3.83Å
277Q90.6Very high82.4Confident106 Ų10676 Ų7650%0.49535%0.349SS..EExtended strand (participates in β ladder)trans-102.497.4177.3-68.7-177.913.100108.8F215F215-Q277 HydrophobicContact CD1-CG 4.38Å; F215-Q277 HydrophobicContact CD2-CG 4.25Å; F215-Q277 HydrophobicContact CE1-CG 4.07Å; F215-Q277 HydrophobicContact CE2-CG 3.94Å; F215-Q277 HydrophobicContact CG-CG 4.44Å; F215-Q277 HydrophobicContact CZ-CG 3.84Å; F215-Q277 VanDerWaalsContact CZ-NE2 3.29Å
278E92.1Very high84.3Confident43 Ų4372.1 Ų72.120%0.20134%0.336CS..EExtended strand (participates in β ladder)trans-93.4119.3-177.8-65.9-168.7-171.400111.6K198 T213 L214 K218 L280K198-E278 WeakPolarHBondContact CE-OE2 3.42Å; K198-E278 IonicContact NZ-OE1 2.99Å; K198-E278 IonicContact NZ-OE2 3.85Å; K198-E278 PolarHBondContact NZ-OE2 2.58Å; T213-E278 CarbonylContact C-O 3.58Å; T213-E278 VanDerWaalsContact CA-O 3.31Å; T213-E278 WeakPolarHBondContact CA-O 3.49Å; L214-E278 PolarHBondContact N-O 3.47Å; L214-E278 PolarHBondContact O-N 2.79Å; K218-E278 WeakPolarHBondContact CE-OE1 3.43Å; K218-E278 IonicContact NZ-OE1 3.56Å; K218-E278 PolarHBondContact NZ-OE1 2.98Å; E278-L280 PolarHBondContact O-N 2.96Å
279E92.1Very high85.9Confident88 Ų8872 Ų7241%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-72.1121.1170.7-172.8-177163.900111I212 K282I212-E279 WeakPolarHBondContact O-CA 3.39Å; E279-K282 HydrophobicContact CB-CG 4.28Å; E279-K282 HydrophobicContact CG-CG 4.07Å; E279-K282 VanDerWaalsContact O-CE 3.29Å; E279-K282 WeakPolarHBondContact O-CE 3.45Å
280L90.9Very high87.1Confident37 Ų3769.6 Ų69.619%0.19433%0.327CS..SBendtrans-89.5-29.2-172.5-62.1-170.8000113.8I74 K198 V201 I212 L214 E278I74-L280 HydrophobicContact CD1-CD1 4.48Å; K198-L280 HydrophobicContact CG-CD2 3.86Å; V201-L280 HydrophobicContact CB-CD1 3.78Å; V201-L280 HydrophobicContact CG1-CB 3.78Å; V201-L280 HydrophobicContact CG1-CD1 3.72Å; V201-L280 HydrophobicContact CG1-CG 4.44Å; V201-L280 HydrophobicContact CG2-CD1 3.8Å; I212-L280 HydrophobicContact CG2-CD1 4.41Å; I212-L280 PolarHBondContact O-N 2.82Å; L214-L280 HydrophobicContact CB-CD1 3.92Å; L214-L280 HydrophobicContact CB-CD2 4Å; L214-L280 HydrophobicContact CB-CG 4.02Å; L214-L280 HydrophobicContact CD2-CD1 4.49Å; L214-L280 HydrophobicContact CD2-CD2 4.41Å; E278-L280 PolarHBondContact O-N 2.96Å
281N89.8Confident87.9Confident11 Ų1170.8 Ų70.86%0.05934%0.337CS..  trans-111.146.1-171.465.3-38.4000113.6Q206 I208 Y210 I212 T283Q206-N281 WeakPolarHBondContact O-CB 3.4Å; I208-N281 PolarHBondContact O-ND2 3.27Å; Y210-N281 PolarHBondContact O-ND2 3.08Å; I212-N281 HydrophobicContact CD1-CB 4.42Å; I212-N281 PolarHBondContact N-OD1 3.47Å; N281-T283 PolarHBondContact O-N 3.1Å
282K85.7Confident88.8Confident146 Ų14671.5 Ų71.564%0.63535%0.346SS*.  trans-61.9-25.9179.3-62.4178.2-179.5175.80113.7E279 K284E279-K282 HydrophobicContact CB-CG 4.28Å; E279-K282 HydrophobicContact CG-CG 4.07Å; E279-K282 VanDerWaalsContact O-CE 3.29Å; E279-K282 WeakPolarHBondContact O-CE 3.45Å; K282-K284 PolarHBondContact O-N 3.46Å
283T81.5Confident89.4Confident35 Ų3574.4 Ų74.422%0.21536%0.364CS..SBendtrans-73.1108.6179.9-44.90000110.2Q206 F207 N281 F302 S305Q206-T283 PolarHBondContact NE2-OG1 2.71Å; F207-T283 HydrophobicContact CE1-CG2 3.87Å; N281-T283 PolarHBondContact O-N 3.1Å; T283-F302 HydrophobicContact CG2-CD2 3.98Å; T283-F302 HydrophobicContact CG2-CE2 4.29Å; T283-S305 PolarHBondContact OG1-OG 3.14Å; T283-S305 VanDerWaalsContact OG1-OG 3.08Å
284K84.9Confident90.1Very high163 Ų16369 Ų6971%0.70934%0.341SS*.  trans-77.3144.4178.4-64.8-177-179.9179.40111.5K282 I286K282-K284 PolarHBondContact O-N 3.46Å; K284-I286 PolarHBondContact O-N 3.19Å
285P88.6Confident90.7Very high22 Ų2268.6 Ų68.614%0.14335%0.346CS..  trans-68.7114.3173.127.9-32.3000109.3F207 W287 T288F207-P285 HydrophobicContact CB-CB 4.3Å; F207-P285 HydrophobicContact CD1-CB 4.13Å; F207-P285 HydrophobicContact CG-CB 4.48Å; P285-W287 HydrophobicContact CB-CD2 4.19Å; P285-W287 HydrophobicContact CB-CE3 4.2Å; P285-W287 HydrophobicContact CB-CH2 3.79Å; P285-W287 HydrophobicContact CB-CZ2 3.73Å; P285-W287 HydrophobicContact CB-CZ3 3.99Å; P285-T288 HydrophobicContact CB-CG2 4.09Å; P285-T288 HydrophobicContact CG-CG2 4.26Å; P285-T288 PolarHBondContact O-OG1 3.1Å
286I92.6Very high91.1Very high9 Ų967.1 Ų67.15%0.04634%0.339CS..SBendtrans-85.2-23.3-178.250.3154.7000113.1K284 T288 R289 I294 Y299 F302 L330K284-I286 PolarHBondContact O-N 3.19Å; I286-T288 PolarHBondContact O-N 2.98Å; I286-R289 PolarHBondContact O-N 3.36Å; I286-I294 VanDerWaalsContact O-CD1 3.24Å; I286-I294 WeakPolarHBondContact O-CD1 3.33Å; I286-Y299 HydrophobicContact CD1-CD1 3.47Å; I286-Y299 VanDerWaalsContact CD1-CD1 3.47Å; I286-Y299 HydrophobicContact CD1-CE1 3.81Å; I286-F302 HydrophobicContact CD1-CB 3.59Å; I286-F302 HydrophobicContact CD1-CD1 3.52Å; I286-F302 HydrophobicContact CD1-CD2 4.01Å; I286-F302 HydrophobicContact CD1-CE1 4.18Å; I286-F302 HydrophobicContact CD1-CG 3.41Å; I286-F302 VanDerWaalsContact CD1-CG 3.41Å; I286-F302 HydrophobicContact CG1-CB 4.09Å; I286-F302 HydrophobicContact CG1-CD1 3.9Å; I286-F302 HydrophobicContact CG1-CD2 3.59Å; I286-F302 HydrophobicContact CG1-CE1 4.21Å; I286-F302 HydrophobicContact CG1-CE2 3.92Å; I286-F302 HydrophobicContact CG1-CG 3.57Å; I286-F302 HydrophobicContact CG1-CZ 4.23Å; I286-F302 HydrophobicContact CG2-CD2 4.4Å; I286-L330 HydrophobicContact CB-CD1 4.48Å; I286-L330 HydrophobicContact CD1-CD1 3.4Å; I286-L330 HydrophobicContact CG1-CD1 3.4Å; I286-L330 VanDerWaalsContact CG1-CD1 3.4Å
287W93.6Very high91.4Very high2 Ų271 Ų711%0.00836%0.356CS..THydrogen-bonded Turntrans-69.9-12.5178.162.788000113.9F207 P285 F302 H318 R328 L330 R357 V378 D380F207-W287 HydrophobicContact CB-CH2 4.03Å; F207-W287 HydrophobicContact CB-CZ2 4.35Å; F207-W287 AromaticContact CD1-CH2 3.8Å; F207-W287 HydrophobicContact CD1-CH2 3.8Å; F207-W287 HydrophobicContact CD1-CZ3 4.17Å; F207-W287 AromaticContact CD2-CH2 3.48Å; F207-W287 HydrophobicContact CD2-CH2 3.48Å; F207-W287 VanDerWaalsContact CD2-CH2 3.48Å; F207-W287 HydrophobicContact CD2-CZ2 4.39Å; F207-W287 HydrophobicContact CD2-CZ3 4.29Å; F207-W287 HydrophobicContact CE1-CH2 4.07Å; F207-W287 HydrophobicContact CE1-CZ3 4.05Å; F207-W287 AromaticContact CE2-CH2 3.73Å; F207-W287 HydrophobicContact CE2-CH2 3.73Å; F207-W287 HydrophobicContact CE2-CZ3 4.13Å; F207-W287 AromaticContact CG-CH2 3.48Å; F207-W287 HydrophobicContact CG-CH2 3.48Å; F207-W287 VanDerWaalsContact CG-CH2 3.48Å; F207-W287 HydrophobicContact CG-CZ2 4.28Å; F207-W287 HydrophobicContact CG-CZ3 4.27Å; F207-W287 HydrophobicContact CZ-CH2 4.03Å; F207-W287 HydrophobicContact CZ-CZ3 4.01Å; P285-W287 HydrophobicContact CB-CD2 4.19Å; P285-W287 HydrophobicContact CB-CE3 4.2Å; P285-W287 HydrophobicContact CB-CH2 3.79Å; P285-W287 HydrophobicContact CB-CZ2 3.73Å; P285-W287 HydrophobicContact CB-CZ3 3.99Å; W287-F302 HydrophobicContact CE3-CE2 4.35Å; W287-F302 HydrophobicContact CE3-CZ 4.04Å; W287-F302 AromaticContact CZ3-CE2 3.83Å; W287-F302 HydrophobicContact CZ3-CE2 3.83Å; W287-F302 AromaticContact CZ3-CZ 3.62Å; W287-F302 HydrophobicContact CZ3-CZ 3.62Å; W287-H318 PolarHBondContact O-NE2 3.42Å; W287-R328 HydrophobicContact CB-CB 4.36Å; W287-R328 WeakPolarHBondContact O-CD 3.24Å; W287-R328 PolarHBondContact O-NH1 3.02Å; W287-L330 HydrophobicContact CB-CD1 3.74Å; W287-L330 HydrophobicContact CB-CG 4Å; W287-L330 HydrophobicContact CE3-CD1 4.16Å; W287-R357 HydrophobicContact CZ2-CG 4.43Å; W287-V378 HydrophobicContact CD2-CG1 4.28Å; W287-V378 HydrophobicContact CE3-CB 4.45Å; W287-V378 HydrophobicContact CE3-CG1 4.03Å; W287-V378 HydrophobicContact CH2-CG1 3.86Å; W287-V378 HydrophobicContact CZ2-CG1 4.15Å; W287-V378 HydrophobicContact CZ3-CB 4.36Å; W287-V378 HydrophobicContact CZ3-CG1 3.83Å; W287-V378 HydrophobicContact CZ3-CG2 4.4Å; W287-D380 HydrophobicContact CZ2-CB 4.13Å; W287-D380 PolarHBondContact NE1-OD2 3.11Å
288T90.4Very high91.6Very high55 Ų5568.6 Ų68.634%0.33735%0.345SS..THydrogen-bonded Turntrans-83.3-19.117760.30000112.2P285 I286 R328P285-T288 HydrophobicContact CB-CG2 4.09Å; P285-T288 HydrophobicContact CG-CG2 4.26Å; P285-T288 PolarHBondContact O-OG1 3.1Å; I286-T288 PolarHBondContact O-N 2.98Å; T288-R328 VanDerWaalsContact C-NH1 3.32Å; T288-R328 PolarHBondContact O-NH1 3.28Å
289R92.7Very high91.8Very high88 Ų8867.4 Ų67.433%0.33234%0.339SS..SBendtrans-84.3159.3178-69.6167.159-175.4-2111I286 D293 I294 E298I286-R289 PolarHBondContact O-N 3.36Å; R289-D293 PolarHBondContact NH2-O 3.03Å; R289-I294 HydrophobicContact CB-CD1 3.86Å; R289-I294 HydrophobicContact CB-CG1 4.06Å; R289-E298 IonicContact CZ-OE1 3.98Å; R289-E298 IonicContact NH1-OE1 2.73Å; R289-E298 PolarHBondContact NH1-OE1 2.62Å; R289-E298 IonicContact NH2-OE1 2.75Å; R289-E298 PolarHBondContact NH2-OE1 3.04Å; R289-E298 IonicContact NH2-OE2 2.98Å; R289-E298 PolarHBondContact NH2-OE2 3.35Å
290N92.1Very high92Very high82 Ų8263.3 Ų63.344%0.43932%0.32SS..  trans-64127.3172.4-177.10.2000109.8D292 D293 I294N290-D292 PolarHBondContact O-N 2.86Å; N290-D292 VanDerWaalsContact O-N 3.14Å; N290-D292 PolarHBondContact OD1-N 3.46Å; N290-D293 HydrophobicContact CB-CB 4.48Å; N290-D293 WeakPolarHBondContact CB-OD2 3.24Å; N290-D293 PolarHBondContact O-N 2.89Å; N290-I294 WeakPolarHBondContact O-CG1 3.47Å
291P93.5Very high92.1Very high56 Ų5668.4 Ų68.436%0.36434%0.343SS..G310 helixtrans-51.2-34.4178.7-26.730.9000114.8D293 I294 H318P291-D293 PolarHBondContact O-N 3.2Å; P291-I294 PolarHBondContact O-N 2.83Å; P291-H318 HydrophobicContact CG-CB 4.5Å
292D94Very high92.4Very high144 Ų14468.1 Ų68.177%0.7734%0.342SS*.G310 helixtrans-70.4-20.2-177.8-63.4-28000113.1N290N290-D292 PolarHBondContact O-N 2.86Å; N290-D292 VanDerWaalsContact O-N 3.14Å; N290-D292 PolarHBondContact OD1-N 3.46Å
293D94.6Very high92.8Very high109 Ų10961.4 Ų61.458%0.58331%0.312SS*.G310 helixtrans-97.911.4-179.4-60.7-41.6000112.5R289 N290 P291R289-D293 PolarHBondContact NH2-O 3.03Å; N290-D293 HydrophobicContact CB-CB 4.48Å; N290-D293 WeakPolarHBondContact CB-OD2 3.24Å; N290-D293 PolarHBondContact O-N 2.89Å; P291-D293 PolarHBondContact O-N 3.2Å
294I95.8Very high93.4Very high15 Ų1563.7 Ų63.78%0.07732%0.319CS..  trans-117.3121.2-177-53.9166.4000109.3I286 R289 N290 P291 E298 Y299I286-I294 VanDerWaalsContact O-CD1 3.24Å; I286-I294 WeakPolarHBondContact O-CD1 3.33Å; R289-I294 HydrophobicContact CB-CD1 3.86Å; R289-I294 HydrophobicContact CB-CG1 4.06Å; N290-I294 WeakPolarHBondContact O-CG1 3.47Å; P291-I294 PolarHBondContact O-N 2.83Å; I294-E298 HydrophobicContact CG2-CB 3.95Å; I294-Y299 HydrophobicContact CB-CE1 4.5Å; I294-Y299 HydrophobicContact CB-CE2 3.75Å; I294-Y299 HydrophobicContact CD1-CE1 4.3Å; I294-Y299 WeakPolarHBondContact CD1-OH 3.15Å; I294-Y299 HydrophobicContact CG2-CD1 4.15Å; I294-Y299 HydrophobicContact CG2-CD2 3.75Å; I294-Y299 HydrophobicContact CG2-CE1 3.86Å; I294-Y299 HydrophobicContact CG2-CE2 3.44Å; I294-Y299 VanDerWaalsContact CG2-CE2 3.44Å; I294-Y299 HydrophobicContact CG2-CG 4.09Å; I294-Y299 VanDerWaalsContact CG2-CZ 3.5Å
295T95.9Very high93.6Very high67 Ų6757.7 Ų57.741%0.41130%0.297SS..  trans-77.8159.9177.761.10000111.9E297 E298 Y299T295-E297 WeakPolarHBondContact CB-OE2 3.31Å; T295-E297 PolarHBondContact O-N 3.29Å; T295-E298 PolarHBondContact N-OE2 3.15Å; T295-E298 PolarHBondContact O-N 3.28Å; T295-E298 VanDerWaalsContact OG1-CG 3.27Å; T295-E298 WeakPolarHBondContact OG1-CG 3.06Å; T295-E298 PolarHBondContact OG1-N 2.56Å; T295-E298 PolarHBondContact OG1-OE2 3.27Å; T295-Y299 VanDerWaalsContact O-CD2 3.23Å; T295-Y299 WeakPolarHBondContact O-CD2 3.21Å; T295-Y299 PolarHBondContact O-N 3.36Å
296N94.1Very high93.6Very high83 Ų8357.2 Ų57.244%0.44429%0.294SS..Hα-helixtrans-65.9-30.8176.7-169.174.6000111.8Y299 G300 H313N296-Y299 PolarHBondContact O-N 2.94Å; N296-G300 PolarHBondContact O-N 2.9Å; N296-H313 PolarHBondContact OD1-CE1 3.25Å
297E94.6Very high93.5Very high131 Ų13158.5 Ų58.561%0.61230%0.302SS*.Hα-helixtrans-61-44.2173.9-66.274.4-164.500111.6T295 G300 E301T295-E297 WeakPolarHBondContact CB-OE2 3.31Å; T295-E297 PolarHBondContact O-N 3.29Å; E297-G300 PolarHBondContact O-N 2.89Å; E297-E301 WeakPolarHBondContact O-CG 3.21Å; E297-E301 PolarHBondContact O-N 2.79Å
298E94.6Very high93.3Very high55 Ų5564.1 Ų64.126%0.25733%0.332SS..Hα-helixtrans-65.2-39.4176.7-72.6169.7106.100112.2R289 I294 T295 G300 F302R289-E298 IonicContact CZ-OE1 3.98Å; R289-E298 IonicContact NH1-OE1 2.73Å; R289-E298 PolarHBondContact NH1-OE1 2.62Å; R289-E298 IonicContact NH2-OE1 2.75Å; R289-E298 PolarHBondContact NH2-OE1 3.04Å; R289-E298 IonicContact NH2-OE2 2.98Å; R289-E298 PolarHBondContact NH2-OE2 3.35Å; I294-E298 HydrophobicContact CG2-CB 3.95Å; T295-E298 PolarHBondContact N-OE2 3.15Å; T295-E298 PolarHBondContact O-N 3.28Å; T295-E298 VanDerWaalsContact OG1-CG 3.27Å; T295-E298 WeakPolarHBondContact OG1-CG 3.06Å; T295-E298 PolarHBondContact OG1-N 2.56Å; T295-E298 PolarHBondContact OG1-OE2 3.27Å; E298-G300 VanDerWaalsContact C-N 3.32Å; E298-F302 WeakPolarHBondContact O-CB 3.23Å; E298-F302 PolarHBondContact O-N 3.09Å
299Y96.5Very high93.4Very high17 Ų1763.8 Ų63.87%0.06733%0.328CS..Hα-helixtrans-62-40.7171.9-75.6-61.5000111.8I286 I294 T295 N296 F302 Y303 H313 V316 H318 L330 F332I286-Y299 HydrophobicContact CD1-CD1 3.47Å; I286-Y299 VanDerWaalsContact CD1-CD1 3.47Å; I286-Y299 HydrophobicContact CD1-CE1 3.81Å; I294-Y299 HydrophobicContact CB-CE1 4.5Å; I294-Y299 HydrophobicContact CB-CE2 3.75Å; I294-Y299 HydrophobicContact CD1-CE1 4.3Å; I294-Y299 WeakPolarHBondContact CD1-OH 3.15Å; I294-Y299 HydrophobicContact CG2-CD1 4.15Å; I294-Y299 HydrophobicContact CG2-CD2 3.75Å; I294-Y299 HydrophobicContact CG2-CE1 3.86Å; I294-Y299 HydrophobicContact CG2-CE2 3.44Å; I294-Y299 VanDerWaalsContact CG2-CE2 3.44Å; I294-Y299 HydrophobicContact CG2-CG 4.09Å; I294-Y299 VanDerWaalsContact CG2-CZ 3.5Å; T295-Y299 VanDerWaalsContact O-CD2 3.23Å; T295-Y299 WeakPolarHBondContact O-CD2 3.21Å; T295-Y299 PolarHBondContact O-N 3.36Å; N296-Y299 PolarHBondContact O-N 2.94Å; Y299-F302 PolarHBondContact O-N 2.98Å; Y299-Y303 WeakPolarHBondContact O-CB 3.31Å; Y299-Y303 PolarHBondContact O-N 3.48Å; Y299-H313 WeakPolarHBondContact CB-NE2 3.45Å; Y299-V316 HydrophobicContact CD1-CG2 3.96Å; Y299-V316 HydrophobicContact CD2-CG1 4.2Å; Y299-V316 HydrophobicContact CE1-CG2 4.34Å; Y299-V316 HydrophobicContact CG-CG1 4.14Å; Y299-V316 HydrophobicContact CG-CG2 4.33Å; Y299-H318 AromaticContact CZ-ND1 3.97Å; Y299-H318 PolarHBondContact OH-ND1 3.39Å; Y299-L330 HydrophobicContact CD1-CD2 4.22Å; Y299-L330 HydrophobicContact CE1-CD2 3.59Å; Y299-F332 HydrophobicContact CD1-CE1 4.47Å; Y299-F332 HydrophobicContact CD1-CZ 4.39Å
300G95.8Very high93.3Very high3 Ų368.5 Ų68.53%0.03135%0.346CS..Hα-helixtrans-67.1-44.517900000113.5N296 E297 E298 F302 Y303 K304 D312N296-G300 PolarHBondContact O-N 2.9Å; E297-G300 PolarHBondContact O-N 2.89Å; E298-G300 VanDerWaalsContact C-N 3.32Å; G300-F302 VanDerWaalsContact C-N 3.33Å; G300-F302 PolarHBondContact O-N 3.09Å; G300-Y303 PolarHBondContact O-N 2.94Å; G300-K304 VanDerWaalsContact O-CG 3.31Å; G300-K304 WeakPolarHBondContact O-CG 3.49Å; G300-K304 PolarHBondContact O-N 3.44Å; G300-D312 WeakPolarHBondContact CA-OD1 3.13Å
301E93.8Very high93.4Very high143 Ų14366.7 Ų66.767%0.66834%0.335SS*.Hα-helixtrans-61-43173.7-73.1-176.3175.100111.7E297 K304 S305E297-E301 WeakPolarHBondContact O-CG 3.21Å; E297-E301 PolarHBondContact O-N 2.79Å; E301-K304 PolarHBondContact O-N 3.12Å; E301-S305 WeakPolarHBondContact O-CB 2.96Å; E301-S305 PolarHBondContact O-N 3.01Å
302F94.3Very high93.5Very high6 Ų665.7 Ų65.73%0.02633%0.327CS..Hα-helixtrans-62.7-45175.4179.2-92.3000111.9F207 T283 I286 W287 E298 Y299 G300 K304 S305 L306 L330 F332 V378F207-F302 AromaticContact CE1-CE2 3.62Å; F207-F302 HydrophobicContact CE1-CE2 3.62Å; F207-F302 HydrophobicContact CE1-CZ 4.37Å; F207-F302 AromaticContact CZ-CE2 3.68Å; F207-F302 HydrophobicContact CZ-CE2 3.68Å; F207-F302 HydrophobicContact CZ-CZ 4.02Å; T283-F302 HydrophobicContact CG2-CD2 3.98Å; T283-F302 HydrophobicContact CG2-CE2 4.29Å; I286-F302 HydrophobicContact CD1-CB 3.59Å; I286-F302 HydrophobicContact CD1-CD1 3.52Å; I286-F302 HydrophobicContact CD1-CD2 4.01Å; I286-F302 HydrophobicContact CD1-CE1 4.18Å; I286-F302 HydrophobicContact CD1-CG 3.41Å; I286-F302 VanDerWaalsContact CD1-CG 3.41Å; I286-F302 HydrophobicContact CG1-CB 4.09Å; I286-F302 HydrophobicContact CG1-CD1 3.9Å; I286-F302 HydrophobicContact CG1-CD2 3.59Å; I286-F302 HydrophobicContact CG1-CE1 4.21Å; I286-F302 HydrophobicContact CG1-CE2 3.92Å; I286-F302 HydrophobicContact CG1-CG 3.57Å; I286-F302 HydrophobicContact CG1-CZ 4.23Å; I286-F302 HydrophobicContact CG2-CD2 4.4Å; W287-F302 HydrophobicContact CE3-CE2 4.35Å; W287-F302 HydrophobicContact CE3-CZ 4.04Å; W287-F302 AromaticContact CZ3-CE2 3.83Å; W287-F302 HydrophobicContact CZ3-CE2 3.83Å; W287-F302 AromaticContact CZ3-CZ 3.62Å; W287-F302 HydrophobicContact CZ3-CZ 3.62Å; E298-F302 WeakPolarHBondContact O-CB 3.23Å; E298-F302 PolarHBondContact O-N 3.09Å; Y299-F302 PolarHBondContact O-N 2.98Å; G300-F302 VanDerWaalsContact C-N 3.33Å; G300-F302 PolarHBondContact O-N 3.09Å; F302-K304 PolarHBondContact O-N 3.4Å; F302-S305 PolarHBondContact O-N 3.25Å; F302-L306 HydrophobicContact CE1-CB 4.37Å; F302-L306 HydrophobicContact CE1-CD2 4.02Å; F302-L306 WeakPolarHBondContact O-CB 3.37Å; F302-L306 PolarHBondContact O-N 3.28Å; F302-L330 HydrophobicContact CE1-CD1 4.32Å; F302-F332 AromaticContact CD1-CE2 3.89Å; F302-F332 HydrophobicContact CD1-CE2 3.89Å; F302-F332 AromaticContact CD1-CZ 3.72Å; F302-F332 HydrophobicContact CD1-CZ 3.72Å; F302-F332 AromaticContact CE1-CE2 3.93Å; F302-F332 HydrophobicContact CE1-CE2 3.93Å; F302-F332 HydrophobicContact CE1-CZ 4.21Å; F302-V378 HydrophobicContact CE1-CG2 4.44Å; F302-V378 HydrophobicContact CZ-CG2 4.12Å
303Y95.4Very high93.7Very high4 Ų459 Ų592%0.01629%0.291CS..Hα-helixtrans-56.6-51.3177.3170.7-102.6000111.4Y299 G300 S305 L306 T307 D309 E311 H313 F332 P334 R376Y299-Y303 WeakPolarHBondContact O-CB 3.31Å; Y299-Y303 PolarHBondContact O-N 3.48Å; G300-Y303 PolarHBondContact O-N 2.94Å; Y303-S305 VanDerWaalsContact C-N 3.31Å; Y303-S305 PolarHBondContact O-N 2.88Å; Y303-L306 WeakPolarHBondContact O-CB 3.33Å; Y303-L306 PolarHBondContact O-N 2.83Å; Y303-T307 HydrophobicContact CD2-CG2 3.92Å; Y303-T307 HydrophobicContact CE2-CG2 3.59Å; Y303-T307 PolarHBondContact O-N 2.89Å; Y303-T307 PolarHBondContact O-OG1 3.3Å; Y303-D309 HydrophobicContact CE1-CB 3.88Å; Y303-D309 PolarHBondContact OH-OD2 3.42Å; Y303-E311 WeakPolarHBondContact CE1-O 3.5Å; Y303-H313 HydrophobicContact CD1-CB 3.94Å; Y303-H313 HydrophobicContact CD2-CB 3.98Å; Y303-H313 HydrophobicContact CE1-CB 4.17Å; Y303-H313 HydrophobicContact CE2-CB 4.2Å; Y303-H313 HydrophobicContact CG-CB 3.84Å; Y303-F332 HydrophobicContact CD2-CB 3.59Å; Y303-F332 AromaticContact CD2-CD1 3.81Å; Y303-F332 HydrophobicContact CD2-CD1 3.81Å; Y303-F332 HydrophobicContact CD2-CD2 4.23Å; Y303-F332 AromaticContact CD2-CG 3.62Å; Y303-F332 HydrophobicContact CD2-CG 3.62Å; Y303-F332 HydrophobicContact CE2-CB 3.82Å; Y303-F332 HydrophobicContact CE2-CG 4.36Å; Y303-F332 HydrophobicContact CG-CD1 4.21Å; Y303-F332 HydrophobicContact CG-CG 4.44Å; Y303-P334 WeakPolarHBondContact OH-CB 3.3Å; Y303-R376 HydrophobicContact CE2-CB 4.35Å
304K93.5Very high93.8Very high84 Ų8454.5 Ų54.537%0.36527%0.267SS..Hα-helixtrans-59.2-42.7177.8-67.4176-174.8-178.80111.7G300 E301 F302 L306 N308 D309 W310G300-K304 VanDerWaalsContact O-CG 3.31Å; G300-K304 WeakPolarHBondContact O-CG 3.49Å; G300-K304 PolarHBondContact O-N 3.44Å; E301-K304 PolarHBondContact O-N 3.12Å; F302-K304 PolarHBondContact O-N 3.4Å; K304-L306 VanDerWaalsContact C-N 3.3Å; K304-L306 PolarHBondContact O-N 3.29Å; K304-N308 WeakPolarHBondContact O-CA 3.36Å; K304-N308 PolarHBondContact O-N 2.92Å; K304-D309 WeakPolarHBondContact CA-O 3.31Å; K304-D309 VanDerWaalsContact CB-O 3.32Å; K304-D309 WeakPolarHBondContact CB-O 3.07Å; K304-D309 VanDerWaalsContact CG-O 3.31Å; K304-D309 WeakPolarHBondContact CG-O 3.28Å; K304-W310 VanDerWaalsContact CE-O 3.29Å; K304-W310 WeakPolarHBondContact CE-O 3.24Å; K304-W310 PolarHBondContact NZ-O 2.88Å
305S89Confident93.9Very high36 Ų3654.4 Ų54.425%0.25227%0.268SS..Hα-helixtrans-64.8-32.6175.7-177.70000113.1T283 E301 F302 Y303T283-S305 PolarHBondContact OG1-OG 3.14Å; T283-S305 VanDerWaalsContact OG1-OG 3.08Å; E301-S305 WeakPolarHBondContact O-CB 2.96Å; E301-S305 PolarHBondContact O-N 3.01Å; F302-S305 PolarHBondContact O-N 3.25Å; Y303-S305 VanDerWaalsContact C-N 3.31Å; Y303-S305 PolarHBondContact O-N 2.88Å
306L89.3Confident94Very high12 Ų1252.7 Ų52.76%0.06326%0.258CS..Hα-helixtrans-77.1-43.1-178177.567.3000112F302 Y303 K304 K352 V378F302-L306 HydrophobicContact CE1-CB 4.37Å; F302-L306 HydrophobicContact CE1-CD2 4.02Å; F302-L306 WeakPolarHBondContact O-CB 3.37Å; F302-L306 PolarHBondContact O-N 3.28Å; Y303-L306 WeakPolarHBondContact O-CB 3.33Å; Y303-L306 PolarHBondContact O-N 2.83Å; K304-L306 VanDerWaalsContact C-N 3.3Å; K304-L306 PolarHBondContact O-N 3.29Å; L306-K352 HydrophobicContact CD1-CD 4.02Å; L306-V378 HydrophobicContact CD1-CG2 3.85Å; L306-V378 HydrophobicContact CD2-CG2 4Å
307T89.8Confident94.2Very high37 Ų3750.2 Ų50.223%0.22724%0.243CC..Hα-helixtrans-99.4-17.8-170.861.10000113.5Y303 D309 R376Y303-T307 HydrophobicContact CD2-CG2 3.92Å; Y303-T307 HydrophobicContact CE2-CG2 3.59Å; Y303-T307 PolarHBondContact O-N 2.89Å; Y303-T307 PolarHBondContact O-OG1 3.3Å; T307-D309 PolarHBondContact O-N 2.88Å; T307-D309 VanDerWaalsContact OG1-CB 3.26Å; T307-D309 WeakPolarHBondContact OG1-CB 3.08Å; T307-D309 PolarHBondContact OG1-N 2.79Å; T307-D309 VanDerWaalsContact OG1-N 3.09Å; T307-R376 HydrophobicContact CG2-CB 4Å; T307-R376 HydrophobicContact CG2-CG 3.94Å
308N88.8Confident94.3Very high120 Ų12045.5 Ų45.564%0.64222%0.221SC*.  trans58.823.8-163.6-42.5-75.6000113.2K202 K304K202-N308 PolarHBondContact NZ-OD1 2.72Å; K304-N308 WeakPolarHBondContact O-CA 3.36Å; K304-N308 PolarHBondContact O-N 2.92Å
309D92.3Very high94.4Very high47 Ų4743.5 Ų43.525%0.25121%0.211SC..  trans-74.4144.1167.3-158.9-23.2000109.5Y303 K304 T307 E311Y303-D309 HydrophobicContact CE1-CB 3.88Å; Y303-D309 PolarHBondContact OH-OD2 3.42Å; K304-D309 WeakPolarHBondContact CA-O 3.31Å; K304-D309 VanDerWaalsContact CB-O 3.32Å; K304-D309 WeakPolarHBondContact CB-O 3.07Å; K304-D309 VanDerWaalsContact CG-O 3.31Å; K304-D309 WeakPolarHBondContact CG-O 3.28Å; T307-D309 PolarHBondContact O-N 2.88Å; T307-D309 VanDerWaalsContact OG1-CB 3.26Å; T307-D309 WeakPolarHBondContact OG1-CB 3.08Å; T307-D309 PolarHBondContact OG1-N 2.79Å; T307-D309 VanDerWaalsContact OG1-N 3.09Å; D309-E311 PolarHBondContact OD1-N 3.44Å
310W91.5Very high94.4Very high188 Ų18845.9 Ų45.971%0.71223%0.23SC*.SBendtrans-88.5-26.1174.862.2-87.5000111.4K304K304-W310 VanDerWaalsContact CE-O 3.29Å; K304-W310 WeakPolarHBondContact CE-O 3.24Å; K304-W310 PolarHBondContact NZ-O 2.88Å
311E94.4Very high94.2Very high43 Ų4347.2 Ų47.220%0.20124%0.238CC..SBendtrans-82.6156.1175.8-150.8178.7170.300110.6Y303 D309 R335 R336Y303-E311 WeakPolarHBondContact CE1-O 3.5Å; D309-E311 PolarHBondContact OD1-N 3.44Å; E311-R335 WeakPolarHBondContact OE1-CD 3.36Å; E311-R336 IonicContact OE1-NH2 2.8Å; E311-R336 IonicContact OE2-CZ 3.97Å; E311-R336 IonicContact OE2-NE 3.9Å; E311-R336 PolarHBondContact OE2-NE 2.97Å; E311-R336 IonicContact OE2-NH2 2.71Å; E311-R336 PolarHBondContact OE2-NH2 3.36Å
312D96.1Very high94Very high36 Ų3647.9 Ų47.919%0.19324%0.241CC..PPolyproline II helixtrans-77162174.4-164.712.6000111.4G300 R335G300-D312 WeakPolarHBondContact CA-OD1 3.13Å; D312-R335 WeakPolarHBondContact O-CD 3.38Å; D312-R335 WeakPolarHBondContact O-CG 3.45Å; D312-R335 PolarHBondContact O-NE 3.2Å; D312-R335 VanDerWaalsContact O-NE 3.11Å
313H97.1Very high93.5Very high3 Ų350.6 Ų50.61%0.01427%0.271CS..PPolyproline II helixtrans-66.4158.217463.676.8000111.7N296 Y299 Y303 F332 R335N296-H313 PolarHBondContact OD1-CE1 3.25Å; Y299-H313 WeakPolarHBondContact CB-NE2 3.45Å; Y303-H313 HydrophobicContact CD1-CB 3.94Å; Y303-H313 HydrophobicContact CD2-CB 3.98Å; Y303-H313 HydrophobicContact CE1-CB 4.17Å; Y303-H313 HydrophobicContact CE2-CB 4.2Å; Y303-H313 HydrophobicContact CG-CB 3.84Å; H313-F332 HydrophobicContact CB-CB 4.4Å; H313-F332 HydrophobicContact CB-CD1 3.92Å; H313-F332 AromaticContact CD2-CD1 3.51Å; H313-F332 AromaticContact CD2-CE1 3.62Å; H313-F332 AromaticContact CG-CD1 3.71Å; H313-F332 AromaticContact NE2-CE1 3.93Å; H313-R335 VanDerWaalsContact O-CZ 3.29Å; H313-R335 PolarHBondContact O-NE 2.84Å; H313-R335 VanDerWaalsContact O-NE 3.13Å; H313-R335 PolarHBondContact O-NH2 3.29Å
314L97.3Very high92.6Very high15 Ų1560 Ų608%0.07932%0.315CS..SBendtrans-79.3-44.4172.8-176.559.2000111I333 R335 L417 N423 F427L314-I333 HydrophobicContact CB-CB 4.49Å; L314-I333 HydrophobicContact CB-CG2 4.43Å; L314-I333 WeakPolarHBondContact CB-O 3.23Å; L314-I333 HydrophobicContact CD2-CG2 4.36Å; L314-I333 PolarHBondContact N-O 2.96Å; L314-R335 HydrophobicContact CB-CG 3.88Å; L314-R335 HydrophobicContact CD1-CG 4.35Å; L314-L417 HydrophobicContact CD2-CD2 4.27Å; L314-N423 HydrophobicContact CD1-CB 4.14Å; L314-F427 HydrophobicContact CD2-CB 3.68Å; L314-F427 HydrophobicContact CD2-CD2 4.47Å
315A97.8Very high92.2Very high13 Ų1357.2 Ų57.211%0.10730%0.304CS..EExtended strand (participates in β ladder)trans-153153.1-177.800000110.2F332 I333 L413 L417A315-F332 WeakPolarHBondContact O-CA 3.45Å; A315-I333 HydrophobicContact CB-CB 4.32Å; A315-I333 HydrophobicContact CB-CG1 4.31Å; A315-I333 PolarHBondContact O-N 3.3Å; A315-L413 HydrophobicContact CB-CD1 4.15Å; A315-L413 HydrophobicContact CB-CD2 4.32Å; A315-L413 HydrophobicContact CB-CG 4.46Å; A315-L417 HydrophobicContact CB-CD1 4.28Å
316V98Very high92.3Very high31 Ų3159.8 Ų59.819%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-132.9142.6179.160.40000110.2Y299 L330 L331 F332Y299-V316 HydrophobicContact CD1-CG2 3.96Å; Y299-V316 HydrophobicContact CD2-CG1 4.2Å; Y299-V316 HydrophobicContact CE1-CG2 4.34Å; Y299-V316 HydrophobicContact CG-CG1 4.14Å; Y299-V316 HydrophobicContact CG-CG2 4.33Å; V316-L330 HydrophobicContact CG2-CD2 4.35Å; V316-L331 CarbonylContact C-O 3.49Å; V316-L331 VanDerWaalsContact CA-O 3.3Å; V316-L331 WeakPolarHBondContact CA-O 3.47Å; V316-F332 HydrophobicContact CB-CD1 3.81Å; V316-F332 HydrophobicContact CB-CE1 3.85Å; V316-F332 HydrophobicContact CG2-CD1 3.65Å; V316-F332 HydrophobicContact CG2-CE1 3.34Å; V316-F332 HydrophobicContact CG2-CG 4.38Å; V316-F332 HydrophobicContact CG2-CZ 3.83Å
317K97.9Very high92.5Very high31 Ų3159.3 Ų59.314%0.13531%0.309CS..EExtended strand (participates in β ladder)trans-125.1116.1170.3-163.765.3163.6-178.40109.7F319 L330 L331 L413 E416K317-F319 HydrophobicContact CG-CD1 4.44Å; K317-L330 WeakPolarHBondContact O-CA 3.46Å; K317-L331 HydrophobicContact CB-CB 4.47Å; K317-L331 PolarHBondContact N-O 3.47Å; K317-L331 PolarHBondContact O-N 3.23Å; K317-L413 HydrophobicContact CB-CB 4.26Å; K317-L413 HydrophobicContact CB-CD1 4.14Å; K317-L413 HydrophobicContact CB-CD2 4.01Å; K317-L413 HydrophobicContact CB-CG 4.36Å; K317-L413 HydrophobicContact CD-CB 4.36Å; K317-L413 HydrophobicContact CD-CD1 4.21Å; K317-L413 HydrophobicContact CG-CB 4.42Å; K317-E416 IonicContact NZ-OE1 2.7Å; K317-E416 PolarHBondContact NZ-OE1 2.62Å; K317-E416 IonicContact NZ-OE2 2.91Å; K317-E416 PolarHBondContact NZ-OE2 2.71Å
318H97.8Very high92.8Very high32 Ų3262.1 Ų62.115%0.14832%0.316CS..EExtended strand (participates in β ladder)trans-99.4127.7169.7-166.7169.1000108.9W287 P291 Y299 L330W287-H318 PolarHBondContact O-NE2 3.42Å; P291-H318 HydrophobicContact CG-CB 4.5Å; Y299-H318 AromaticContact CZ-ND1 3.97Å; Y299-H318 PolarHBondContact OH-ND1 3.39Å; H318-L330 HydrophobicContact CB-CD2 3.49Å; H318-L330 VanDerWaalsContact CB-CD2 3.49Å; H318-L330 VanDerWaalsContact CG-CD2 3.42Å
319F96.6Very high93.1Very high13 Ų1356.5 Ų56.56%0.05729%0.286CS..EExtended strand (participates in β ladder)trans-150.2155.717369.2-81000112.4K317 V321 F327 A329 L331 I406 K409K317-F319 HydrophobicContact CG-CD1 4.44Å; F319-V321 HydrophobicContact CD2-CG2 3.98Å; F319-V321 HydrophobicContact CE2-CG2 3.92Å; F319-F327 AromaticContact CE2-CE2 3.64Å; F319-F327 HydrophobicContact CE2-CE2 3.64Å; F319-F327 HydrophobicContact CE2-CZ 4.07Å; F319-F327 HydrophobicContact CZ-CE2 4.07Å; F319-A329 HydrophobicContact CD1-CB 4.23Å; F319-A329 HydrophobicContact CE1-CB 3.59Å; F319-A329 HydrophobicContact CE2-CB 4.13Å; F319-A329 HydrophobicContact CZ-CB 3.55Å; F319-A329 PolarHBondContact N-O 2.66Å; F319-A329 PolarHBondContact O-N 3.09Å; F319-L331 HydrophobicContact CE1-CD1 3.61Å; F319-L331 HydrophobicContact CE1-CG 3.95Å; F319-L331 HydrophobicContact CZ-CD1 4.29Å; F319-I406 HydrophobicContact CZ-CG1 4.26Å; F319-K409 HydrophobicContact CB-CD 4Å; F319-K409 HydrophobicContact CB-CG 4.47Å; F319-K409 HydrophobicContact CD1-CB 3.97Å; F319-K409 HydrophobicContact CD1-CD 4.17Å; F319-K409 HydrophobicContact CD1-CG 3.86Å; F319-K409 HydrophobicContact CD2-CD 4.16Å; F319-K409 HydrophobicContact CD2-CG 3.79Å; F319-K409 HydrophobicContact CE1-CB 3.81Å; F319-K409 HydrophobicContact CE1-CG 3.94Å; F319-K409 HydrophobicContact CE2-CG 3.87Å; F319-K409 HydrophobicContact CG-CB 4.4Å; F319-K409 HydrophobicContact CG-CD 3.85Å; F319-K409 HydrophobicContact CG-CG 3.77Å; F319-K409 HydrophobicContact CZ-CB 4.1Å; F319-K409 HydrophobicContact CZ-CG 3.94Å
320S95Very high93.4Very high66 Ų6654.2 Ų54.246%0.46227%0.274SS..EExtended strand (participates in β ladder)trans-114.5154.3166.857.30000110.2F327S320-F327 CarbonylContact C-O 3.58Å; S320-F327 WeakPolarHBondContact CA-O 3.42Å
321V93.4Very high93.7Very high31 Ų3145.3 Ų45.319%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-124.1127.6168.4179.50000106.8F319 E326 F327 N405F319-V321 HydrophobicContact CD2-CG2 3.98Å; F319-V321 HydrophobicContact CE2-CG2 3.92Å; V321-E326 VanDerWaalsContact O-CA 3.29Å; V321-E326 WeakPolarHBondContact O-CA 3.31Å; V321-F327 HydrophobicContact CB-CD1 3.96Å; V321-F327 HydrophobicContact CB-CE1 3.64Å; V321-F327 HydrophobicContact CB-CZ 4Å; V321-F327 HydrophobicContact CG1-CE1 4.07Å; V321-F327 HydrophobicContact CG2-CD1 4.38Å; V321-F327 HydrophobicContact CG2-CE1 3.68Å; V321-F327 HydrophobicContact CG2-CE2 4.06Å; V321-F327 HydrophobicContact CG2-CZ 3.5Å; V321-F327 VanDerWaalsContact CG2-CZ 3.5Å; V321-F327 PolarHBondContact N-O 2.89Å; V321-F327 PolarHBondContact O-N 3.4Å; V321-F327 VanDerWaalsContact O-N 3.1Å; V321-N405 HydrophobicContact CG2-CB 4.26Å
322E87.7Confident93.9Very high157 Ų15743.2 Ų43.273%0.73423%0.23SC*.  trans-113.1155.8178.1-64.6174.7-169.700109.9
323G83.8Confident93.9Very high63 Ų6341.5 Ų41.565%0.64922%0.221SC*.SBendtrans127.5-138.1177.400000112.4L325G323-L325 PolarHBondContact O-N 2.81Å
324Q78.1Confident93.9Very high203 Ų20341.6 Ų41.695%0.94922%0.222SC*.SBendtrans-64.8-26.4179.8-173.5178.97.700113
325L85.1Confident93.9Very high25 Ų2544.3 Ų44.313%0.13123%0.231CC..SBendtrans-128.1113.8174.5177.568.5000107.8G323 F327 L384 I398 V401 I402G323-L325 PolarHBondContact O-N 2.81Å; L325-F327 HydrophobicContact CD2-CD1 4.08Å; L325-F327 HydrophobicContact CD2-CE1 4.14Å; L325-F327 HydrophobicContact CG-CD1 4.06Å; L325-L384 HydrophobicContact CD1-CD2 3.66Å; L325-I398 HydrophobicContact CD1-CG2 3.68Å; L325-I398 HydrophobicContact CD2-CG2 3.76Å; L325-I398 HydrophobicContact CG-CG2 4.37Å; L325-V401 HydrophobicContact CD2-CB 4.38Å; L325-V401 HydrophobicContact CD2-CG1 4.16Å; L325-I402 HydrophobicContact CD2-CD1 4.19Å; L325-I402 HydrophobicContact CD2-CG1 3.51Å
326E89.9Confident93.7Very high89 Ų8951 Ų5142%0.41625%0.253SS..  trans-101.6124.3178.9-167.7177.4167.800110.8V321 S381V321-E326 VanDerWaalsContact O-CA 3.29Å; V321-E326 WeakPolarHBondContact O-CA 3.31Å; E326-S381 WeakPolarHBondContact O-CB 3.35Å; E326-S381 PolarHBondContact O-OG 3.23Å
327F94.1Very high93.5Very high2 Ų251.4 Ų51.41%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-155.4156.6172.370.7-88.7000111.6F319 S320 V321 L325 A329 V379 D380 I402 N405F319-F327 AromaticContact CE2-CE2 3.64Å; F319-F327 HydrophobicContact CE2-CE2 3.64Å; F319-F327 HydrophobicContact CE2-CZ 4.07Å; F319-F327 HydrophobicContact CZ-CE2 4.07Å; S320-F327 CarbonylContact C-O 3.58Å; S320-F327 WeakPolarHBondContact CA-O 3.42Å; V321-F327 HydrophobicContact CB-CD1 3.96Å; V321-F327 HydrophobicContact CB-CE1 3.64Å; V321-F327 HydrophobicContact CB-CZ 4Å; V321-F327 HydrophobicContact CG1-CE1 4.07Å; V321-F327 HydrophobicContact CG2-CD1 4.38Å; V321-F327 HydrophobicContact CG2-CE1 3.68Å; V321-F327 HydrophobicContact CG2-CE2 4.06Å; V321-F327 HydrophobicContact CG2-CZ 3.5Å; V321-F327 VanDerWaalsContact CG2-CZ 3.5Å; V321-F327 PolarHBondContact N-O 2.89Å; V321-F327 PolarHBondContact O-N 3.4Å; V321-F327 VanDerWaalsContact O-N 3.1Å; L325-F327 HydrophobicContact CD2-CD1 4.08Å; L325-F327 HydrophobicContact CD2-CE1 4.14Å; L325-F327 HydrophobicContact CG-CD1 4.06Å; F327-A329 HydrophobicContact CD2-CB 4.21Å; F327-A329 HydrophobicContact CE2-CB 4.16Å; F327-V379 HydrophobicContact CB-CG1 4.42Å; F327-V379 HydrophobicContact CD2-CG1 3.77Å; F327-V379 HydrophobicContact CE2-CG1 4.34Å; F327-V379 HydrophobicContact CG-CG1 4.29Å; F327-D380 CarbonylContact C-O 3.41Å; F327-D380 VanDerWaalsContact CA-O 3.25Å; F327-D380 WeakPolarHBondContact CA-O 3.38Å; F327-D380 VanDerWaalsContact CB-O 3.3Å; F327-D380 WeakPolarHBondContact CB-O 3.44Å; F327-I402 HydrophobicContact CD1-CG1 4.34Å; F327-I402 HydrophobicContact CE1-CG1 4.09Å; F327-I402 HydrophobicContact CE1-CG2 4.35Å; F327-I402 HydrophobicContact CE2-CG2 4.14Å; F327-I402 HydrophobicContact CZ-CB 4.49Å; F327-I402 HydrophobicContact CZ-CG2 3.95Å; F327-N405 HydrophobicContact CZ-CB 3.91Å
328R95.7Very high93.2Very high97 Ų9751.6 Ų51.637%0.36626%0.264SS..EExtended strand (participates in β ladder)trans-115147.1170.5-55.1-172-173-177.74.7109W287 T288 D380W287-R328 HydrophobicContact CB-CB 4.36Å; W287-R328 WeakPolarHBondContact O-CD 3.24Å; W287-R328 PolarHBondContact O-NH1 3.02Å; T288-R328 VanDerWaalsContact C-NH1 3.32Å; T288-R328 PolarHBondContact O-NH1 3.28Å; R328-D380 PolarHBondContact N-O 3Å; R328-D380 PolarHBondContact O-N 3.18Å
329A96.5Very high92.8Very high1 Ų159.6 Ų59.61%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-145.2147.8-178.600000112.3F319 F327 V378 V379F319-A329 HydrophobicContact CD1-CB 4.23Å; F319-A329 HydrophobicContact CE1-CB 3.59Å; F319-A329 HydrophobicContact CE2-CB 4.13Å; F319-A329 HydrophobicContact CZ-CB 3.55Å; F319-A329 PolarHBondContact N-O 2.66Å; F319-A329 PolarHBondContact O-N 3.09Å; F327-A329 HydrophobicContact CD2-CB 4.21Å; F327-A329 HydrophobicContact CE2-CB 4.16Å; A329-V378 VanDerWaalsContact CA-O 3.23Å; A329-V378 WeakPolarHBondContact CA-O 3.45Å; A329-V379 HydrophobicContact CB-CG2 4.06Å
330L97.3Very high92.6Very high0 Ų060.3 Ų60.30%030%0.304CS..EExtended strand (participates in β ladder)trans-124.2121.9171.8-75.4168.7000109.1I286 W287 Y299 F302 V316 K317 H318 F332 G377 V378I286-L330 HydrophobicContact CB-CD1 4.48Å; I286-L330 HydrophobicContact CD1-CD1 3.4Å; I286-L330 HydrophobicContact CG1-CD1 3.4Å; I286-L330 VanDerWaalsContact CG1-CD1 3.4Å; W287-L330 HydrophobicContact CB-CD1 3.74Å; W287-L330 HydrophobicContact CB-CG 4Å; W287-L330 HydrophobicContact CE3-CD1 4.16Å; Y299-L330 HydrophobicContact CD1-CD2 4.22Å; Y299-L330 HydrophobicContact CE1-CD2 3.59Å; F302-L330 HydrophobicContact CE1-CD1 4.32Å; V316-L330 HydrophobicContact CG2-CD2 4.35Å; K317-L330 WeakPolarHBondContact O-CA 3.46Å; H318-L330 HydrophobicContact CB-CD2 3.49Å; H318-L330 VanDerWaalsContact CB-CD2 3.49Å; H318-L330 VanDerWaalsContact CG-CD2 3.42Å; L330-F332 HydrophobicContact CB-CE2 3.85Å; L330-F332 HydrophobicContact CB-CZ 4.37Å; L330-G377 CarbonylContact O-C 3.58Å; L330-G377 WeakPolarHBondContact O-CA 3.33Å; L330-V378 PolarHBondContact N-O 2.65Å; L330-V378 PolarHBondContact O-N 3.38Å
331L97.8Very high92.4Very high0 Ų058 Ų580%029%0.286CS..EExtended strand (participates in β ladder)trans-119130-179.6-56.1178.2000109.2V316 K317 F319 I351 V375 R376 I406V316-L331 CarbonylContact C-O 3.49Å; V316-L331 VanDerWaalsContact CA-O 3.3Å; V316-L331 WeakPolarHBondContact CA-O 3.47Å; K317-L331 HydrophobicContact CB-CB 4.47Å; K317-L331 PolarHBondContact N-O 3.47Å; K317-L331 PolarHBondContact O-N 3.23Å; F319-L331 HydrophobicContact CE1-CD1 3.61Å; F319-L331 HydrophobicContact CE1-CG 3.95Å; F319-L331 HydrophobicContact CZ-CD1 4.29Å; L331-I351 HydrophobicContact CD2-CD1 3.75Å; L331-V375 HydrophobicContact CB-CG1 3.97Å; L331-V375 HydrophobicContact CD2-CG1 4.19Å; L331-R376 CarbonylContact C-O 3.12Å; L331-R376 WeakPolarHBondContact CA-O 3.34Å; L331-I406 HydrophobicContact CD1-CG2 3.89Å; L331-I406 HydrophobicContact CD2-CG2 4.34Å
332F98.2Very high92.2Very high0 Ų061.9 Ų61.90%030%0.301CS..EExtended strand (participates in β ladder)trans-120.2136.8-177.2-63.3-88.1000110.2Y299 F302 Y303 H313 A315 V316 L330 R376Y299-F332 HydrophobicContact CD1-CE1 4.47Å; Y299-F332 HydrophobicContact CD1-CZ 4.39Å; F302-F332 AromaticContact CD1-CE2 3.89Å; F302-F332 HydrophobicContact CD1-CE2 3.89Å; F302-F332 AromaticContact CD1-CZ 3.72Å; F302-F332 HydrophobicContact CD1-CZ 3.72Å; F302-F332 AromaticContact CE1-CE2 3.93Å; F302-F332 HydrophobicContact CE1-CE2 3.93Å; F302-F332 HydrophobicContact CE1-CZ 4.21Å; Y303-F332 HydrophobicContact CD2-CB 3.59Å; Y303-F332 AromaticContact CD2-CD1 3.81Å; Y303-F332 HydrophobicContact CD2-CD1 3.81Å; Y303-F332 HydrophobicContact CD2-CD2 4.23Å; Y303-F332 AromaticContact CD2-CG 3.62Å; Y303-F332 HydrophobicContact CD2-CG 3.62Å; Y303-F332 HydrophobicContact CE2-CB 3.82Å; Y303-F332 HydrophobicContact CE2-CG 4.36Å; Y303-F332 HydrophobicContact CG-CD1 4.21Å; Y303-F332 HydrophobicContact CG-CG 4.44Å; H313-F332 HydrophobicContact CB-CB 4.4Å; H313-F332 HydrophobicContact CB-CD1 3.92Å; H313-F332 AromaticContact CD2-CD1 3.51Å; H313-F332 AromaticContact CD2-CE1 3.62Å; H313-F332 AromaticContact CG-CD1 3.71Å; H313-F332 AromaticContact NE2-CE1 3.93Å; A315-F332 WeakPolarHBondContact O-CA 3.45Å; V316-F332 HydrophobicContact CB-CD1 3.81Å; V316-F332 HydrophobicContact CB-CE1 3.85Å; V316-F332 HydrophobicContact CG2-CD1 3.65Å; V316-F332 HydrophobicContact CG2-CE1 3.34Å; V316-F332 HydrophobicContact CG2-CG 4.38Å; V316-F332 HydrophobicContact CG2-CZ 3.83Å; L330-F332 HydrophobicContact CB-CE2 3.85Å; L330-F332 HydrophobicContact CB-CZ 4.37Å; F332-R376 HydrophobicContact CB-CB 4.37Å; F332-R376 PolarHBondContact N-O 2.87Å; F332-R376 PolarHBondContact O-N 3.27Å
333I97.9Very high92.4Very high0 Ų059.6 Ų59.60%029%0.29CS..EExtended strand (participates in β ladder)trans-99.4117.3169.9-51.8-50.3000107.6L314 A315 F374 V375 L413 F414 F427 F431L314-I333 HydrophobicContact CB-CB 4.49Å; L314-I333 HydrophobicContact CB-CG2 4.43Å; L314-I333 WeakPolarHBondContact CB-O 3.23Å; L314-I333 HydrophobicContact CD2-CG2 4.36Å; L314-I333 PolarHBondContact N-O 2.96Å; A315-I333 HydrophobicContact CB-CB 4.32Å; A315-I333 HydrophobicContact CB-CG1 4.31Å; A315-I333 PolarHBondContact O-N 3.3Å; I333-F374 HydrophobicContact CD1-CE2 4.01Å; I333-F374 HydrophobicContact CG2-CE2 4.15Å; I333-V375 HydrophobicContact CD1-CG1 4.34Å; I333-V375 HydrophobicContact CD1-CG2 3.8Å; I333-L413 HydrophobicContact CD1-CD2 4.01Å; I333-L413 HydrophobicContact CG1-CD2 3.55Å; I333-F414 HydrophobicContact CD1-CE1 3.64Å; I333-F414 HydrophobicContact CD1-CZ 4.32Å; I333-F414 HydrophobicContact CG1-CE1 4.16Å; I333-F427 HydrophobicContact CG2-CD2 3.75Å; I333-F427 HydrophobicContact CG2-CE2 3.96Å; I333-F431 HydrophobicContact CG2-CD2 4.43Å; I333-F431 HydrophobicContact CG2-CE2 4.12Å
334P97.1Very high92.3Very high5 Ų564.1 Ų64.13%0.03230%0.299CS..  trans-64.2150.7176.119.7-23.4000111.1Y303 R336 F374 F431Y303-P334 WeakPolarHBondContact OH-CB 3.3Å; P334-R336 VanDerWaalsContact C-N 3.26Å; P334-R336 PolarHBondContact O-N 3.39Å; P334-F374 WeakPolarHBondContact CD-O 3.34Å; P334-F431 HydrophobicContact CB-CZ 4.47Å; P334-F431 HydrophobicContact CG-CE1 4.33Å; P334-F431 HydrophobicContact CG-CZ 3.75Å; P334-F431 VanDerWaalsContact O-CE2 3.31Å; P334-F431 WeakPolarHBondContact O-CE2 3.47Å
335R95.7Very high92.6Very high72 Ų7264 Ų6427%0.27230%0.296SS..SBendtrans-67.2-28.2174.8-77.9-178.9-172-82.4-3113.4E311 D312 H313 L314E311-R335 WeakPolarHBondContact OE1-CD 3.36Å; D312-R335 WeakPolarHBondContact O-CD 3.38Å; D312-R335 WeakPolarHBondContact O-CG 3.45Å; D312-R335 PolarHBondContact O-NE 3.2Å; D312-R335 VanDerWaalsContact O-NE 3.11Å; H313-R335 VanDerWaalsContact O-CZ 3.29Å; H313-R335 PolarHBondContact O-NE 2.84Å; H313-R335 VanDerWaalsContact O-NE 3.13Å; H313-R335 PolarHBondContact O-NH2 3.29Å; L314-R335 HydrophobicContact CB-CG 3.88Å; L314-R335 HydrophobicContact CD1-CG 4.35Å
336R93.3Very high92.6Very high152 Ų15265.9 Ų65.957%0.57430%0.303SS*.SBendtrans-130144.9-178.5-55.9-176.9-163.9-153.9-3.8110E311 P334E311-R336 IonicContact OE1-NH2 2.8Å; E311-R336 IonicContact OE2-CZ 3.97Å; E311-R336 IonicContact OE2-NE 3.9Å; E311-R336 PolarHBondContact OE2-NE 2.97Å; E311-R336 IonicContact OE2-NH2 2.71Å; E311-R336 PolarHBondContact OE2-NH2 3.36Å; P334-R336 VanDerWaalsContact C-N 3.26Å; P334-R336 PolarHBondContact O-N 3.39Å
337A94Very high92.3Very high41 Ų4166.6 Ų66.634%0.33931%0.305SS..  trans-66.7134.4167.900000109.6L341 G430 F431A337-L341 HydrophobicContact CB-CD2 4.01Å; A337-G430 WeakPolarHBondContact CB-O 3.5Å; A337-F431 HydrophobicContact CB-CD1 4.37Å; A337-F431 HydrophobicContact CB-CE1 3.81Å; A337-F431 HydrophobicContact CB-CZ 4.3Å
338P91.3Very high91.8Very high34 Ų3468.9 Ų68.922%0.22131%0.314CS..  trans-66.8145.8172.929-32.8000109.8D340 L341P338-D340 PolarHBondContact O-N 3.27Å; P338-D340 VanDerWaalsContact O-N 3.11Å; P338-L341 HydrophobicContact CG-CB 3.97Å; P338-L341 HydrophobicContact CG-CD1 4.16Å; P338-L341 VanDerWaalsContact O-CB 3.31Å; P338-L341 WeakPolarHBondContact O-CB 3.42Å; P338-L341 PolarHBondContact O-N 3.19Å; P338-L341 VanDerWaalsContact O-N 3.08Å
339F91.3Very high91.3Very high200 Ų20067.3 Ų67.388%0.87731%0.313SS*.THydrogen-bonded Turntrans-60.7-25.2-175.471.7-89.1000113.2
340D90.9Very high91.1Very high28 Ų2867.9 Ų67.915%0.1532%0.316CS..THydrogen-bonded Turntrans-101.718.8-178.560.85.9000113P338 F342 E343 K346P338-D340 PolarHBondContact O-N 3.27Å; P338-D340 VanDerWaalsContact O-N 3.11Å; D340-F342 PolarHBondContact O-N 3.39Å; D340-F342 VanDerWaalsContact O-N 3.15Å; D340-E343 HydrophobicContact CB-CB 4.3Å; D340-E343 WeakPolarHBondContact O-CB 3.49Å; D340-E343 PolarHBondContact O-N 3.35Å; D340-E343 VanDerWaalsContact O-N 3.08Å; D340-K346 HydrophobicContact CB-CD 4.32Å; D340-K346 IonicContact OD1-NZ 2.81Å; D340-K346 PolarHBondContact OD1-NZ 2.87Å; D340-K346 IonicContact OD2-NZ 3.49Å; D340-K346 PolarHBondContact OD2-NZ 3.38Å
341L91.1Very high90.9Very high18 Ų1868.1 Ų68.19%0.09432%0.317CS..THydrogen-bonded Turntrans-54.6-36.4-175.3-17957.4000114A337 P338 F374 F431 N434A337-L341 HydrophobicContact CB-CD2 4.01Å; P338-L341 HydrophobicContact CG-CB 3.97Å; P338-L341 HydrophobicContact CG-CD1 4.16Å; P338-L341 VanDerWaalsContact O-CB 3.31Å; P338-L341 WeakPolarHBondContact O-CB 3.42Å; P338-L341 PolarHBondContact O-N 3.19Å; P338-L341 VanDerWaalsContact O-N 3.08Å; L341-F374 HydrophobicContact CD1-CB 3.8Å; L341-F374 HydrophobicContact CD2-CB 4.43Å; L341-F431 HydrophobicContact CD2-CD1 4.28Å; L341-F431 HydrophobicContact CD2-CE1 4.38Å; L341-N434 WeakPolarHBondContact CD2-OD1 3.3Å
342F90.6Very high90.6Very high113 Ų11370.5 Ų70.550%0.49633%0.328SS..THydrogen-bonded Turntrans-105.619.8-178-61.6-72.1000112.8D340 N344 K433 N434D340-F342 PolarHBondContact O-N 3.39Å; D340-F342 VanDerWaalsContact O-N 3.15Å; F342-N344 PolarHBondContact O-N 2.91Å; F342-K433 HydrophobicContact CE2-CB 4.27Å; F342-K433 HydrophobicContact CE2-CD 4.16Å; F342-K433 HydrophobicContact CZ-CB 3.76Å; F342-K433 HydrophobicContact CZ-CD 4.46Å; F342-N434 WeakPolarHBondContact CZ-OD1 3.23Å
343E91.1Very high90.2Very high108 Ų10870.5 Ų70.551%0.50533%0.328SS..  trans-76.9106.1173.8-172.7-177.9175.200110.9D340 K345 K346D340-E343 HydrophobicContact CB-CB 4.3Å; D340-E343 WeakPolarHBondContact O-CB 3.49Å; D340-E343 PolarHBondContact O-N 3.35Å; D340-E343 VanDerWaalsContact O-N 3.08Å; E343-K345 PolarHBondContact O-N 3.44Å; E343-K345 VanDerWaalsContact O-N 3.1Å; E343-K346 HydrophobicContact CB-CB 4.2Å; E343-K346 HydrophobicContact CG-CB 4.45Å; E343-K346 VanDerWaalsContact O-CB 3.27Å; E343-K346 WeakPolarHBondContact O-CB 3.49Å; E343-K346 PolarHBondContact O-N 3.39Å
344N80.6Confident89.9Confident158 Ų15870.6 Ų70.685%0.84533%0.328SS*.THydrogen-bonded Turntrans-61.4-22.9-174.2-69.3-15.5000115.3F342F342-N344 PolarHBondContact O-N 2.91Å
345K85.4Confident89.5Confident202 Ų20270.7 Ų70.788%0.87833%0.329SS*.THydrogen-bonded Turntrans-88.6-7.1179.8-67.5-174.7179.8-179.90112.9E343E343-K345 PolarHBondContact O-N 3.44Å; E343-K345 VanDerWaalsContact O-N 3.1Å
346K84.6Confident89.1Confident64 Ų6468.9 Ų68.928%0.27832%0.322SS..SBendtrans-69.8132.8-177.2-179.8167.8174.41620110.6D340 E343 K348D340-K346 HydrophobicContact CB-CD 4.32Å; D340-K346 IonicContact OD1-NZ 2.81Å; D340-K346 PolarHBondContact OD1-NZ 2.87Å; D340-K346 IonicContact OD2-NZ 3.49Å; D340-K346 PolarHBondContact OD2-NZ 3.38Å; E343-K346 HydrophobicContact CB-CB 4.2Å; E343-K346 HydrophobicContact CG-CB 4.45Å; E343-K346 VanDerWaalsContact O-CB 3.27Å; E343-K346 WeakPolarHBondContact O-CB 3.49Å; E343-K346 PolarHBondContact O-N 3.39Å; K346-K348 PolarHBondContact O-N 3Å
347K83.8Confident88.9Confident104 Ų10464.3 Ų64.345%0.45231%0.305SS..  trans-61.5127.9172.8-171.9-173.8177.1-160.80109.7N349 D362K347-N349 PolarHBondContact O-N 2.72Å; K347-N349 VanDerWaalsContact O-N 3.11Å; K347-N349 PolarHBondContact O-OD1 2.78Å; K347-D362 WeakPolarHBondContact CE-OD1 3.26Å; K347-D362 IonicContact NZ-OD1 3.89Å; K347-D362 PolarHBondContact NZ-OD1 2.95Å; K347-D362 IonicContact NZ-OD2 3.42Å; K347-D362 PolarHBondContact NZ-OD2 2.62Å
348K84.1Confident88.6Confident49 Ų4962.4 Ų62.421%0.21329%0.289CS..  trans-84.884.1-179-58.8-178.4-168.6156.80110.3K346 E365 E370K346-K348 PolarHBondContact O-N 3Å; K348-E365 HydrophobicContact CD-CG 4.2Å; K348-E365 WeakPolarHBondContact CE-OE1 3.31Å; K348-E365 IonicContact NZ-OE1 3.22Å; K348-E365 PolarHBondContact NZ-OE1 3.08Å; K348-E370 WeakPolarHBondContact CE-OE2 3.33Å; K348-E370 IonicContact NZ-OE2 2.69Å; K348-E370 PolarHBondContact NZ-OE2 3.11Å
349N85.8Confident88.5Confident65 Ų6561.4 Ų61.435%0.34828%0.281SS..  trans-113.327-17365.8-13.8000114.3K347 D362K347-N349 PolarHBondContact O-N 2.72Å; K347-N349 VanDerWaalsContact O-N 3.11Å; K347-N349 PolarHBondContact O-OD1 2.78Å; N349-D362 WeakPolarHBondContact CA-O 3.38Å; N349-D362 HydrophobicContact CB-CB 3.89Å; N349-D362 WeakPolarHBondContact CB-OD2 3.36Å
350N90.9Very high88.3Confident12 Ų1252.3 Ų52.36%0.06424%0.241CC..SBendtrans-80.5-33.2-166.1-63.8-37.4000113.7N373 V375 R376 G377N350-N373 PolarHBondContact ND2-O 3.38Å; N350-N373 PolarHBondContact ND2-OD1 2.88Å; N350-V375 WeakPolarHBondContact CB-O 3.34Å; N350-R376 PolarHBondContact ND2-NH1 3.09Å; N350-R376 CarbonylContact O-C 3.54Å; N350-R376 VanDerWaalsContact O-CA 3.3Å; N350-R376 WeakPolarHBondContact O-CA 3.32Å; N350-R376 PolarHBondContact OD1-NE 2.66Å; N350-R376 PolarHBondContact OD1-NH1 3.41Å; N350-R376 PolarHBondContact OD1-NH2 3.04Å; N350-R376 VanDerWaalsContact OD1-NH2 3.1Å; N350-G377 PolarHBondContact O-N 2.89Å
351I92.9Very high87.9Confident5 Ų552.2 Ų52.23%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-113.3120.1172.7-58.8-174000108.3L331 L367 I368 V375 G377 V379 I406L331-I351 HydrophobicContact CD2-CD1 3.75Å; I351-L367 HydrophobicContact CB-CD2 3.95Å; I351-L367 HydrophobicContact CG2-CD2 3.5Å; I351-L367 VanDerWaalsContact CG2-CD2 3.5Å; I351-I368 HydrophobicContact CD1-CD1 4.34Å; I351-I368 HydrophobicContact CD1-CG2 3.45Å; I351-I368 VanDerWaalsContact CD1-CG2 3.45Å; I351-I368 HydrophobicContact CG1-CD1 4.44Å; I351-V375 HydrophobicContact CD1-CG1 4.46Å; I351-G377 WeakPolarHBondContact CA-O 3.34Å; I351-V379 HydrophobicContact CG2-CG2 3.69Å; I351-I406 HydrophobicContact CD1-CD1 4.45Å; I351-I406 HydrophobicContact CD1-CG2 4.29Å
352K91.1Very high87.3Confident50 Ų5052.7 Ų52.722%0.21724%0.243CC..EExtended strand (participates in β ladder)trans-91.8132.4178.7-63.2-178.5-171.7172.50109.8L306 Y354 F359 D362 G377 V378 V379L306-K352 HydrophobicContact CD1-CD 4.02Å; K352-Y354 HydrophobicContact CB-CD2 4.23Å; K352-Y354 HydrophobicContact CB-CE2 3.49Å; K352-Y354 VanDerWaalsContact CB-CE2 3.49Å; K352-Y354 HydrophobicContact CD-CE2 4.36Å; K352-F359 HydrophobicContact CB-CD2 4.45Å; K352-F359 HydrophobicContact CB-CE2 4.14Å; K352-F359 HydrophobicContact CD-CE2 4.29Å; K352-F359 HydrophobicContact CG-CE2 4.2Å; K352-D362 HydrophobicContact CG-CB 4.25Å; K352-G377 PolarHBondContact N-O 2.99Å; K352-V378 WeakPolarHBondContact O-CA 3.46Å; K352-V379 PolarHBondContact O-N 3.48Å
353L91.2Very high86.4Confident0 Ų051.3 Ų51.30%024%0.241CC..EExtended strand (participates in β ladder)trans-97.2126.6176-178.368.2000110.3I360 M361 V379 L384 L393 L399L353-I360 PolarHBondContact O-N 3.38Å; L353-M361 HydrophobicContact CB-CG 3.96Å; L353-M361 HydrophobicContact CD2-CE 4.47Å; L353-M361 HydrophobicContact CD2-CG 4.03Å; L353-M361 HydrophobicContact CD2-SD 4.26Å; L353-M361 PolarHBondContact N-O 2.6Å; L353-M361 PolarHBondContact O-N 2.73Å; L353-V379 CarbonylContact C-O 3.56Å; L353-V379 WeakPolarHBondContact CA-O 3.4Å; L353-V379 HydrophobicContact CD1-CB 4.02Å; L353-V379 HydrophobicContact CD1-CG1 3.82Å; L353-L384 HydrophobicContact CD1-CD1 4.02Å; L353-L384 HydrophobicContact CD2-CD1 4.16Å; L353-L384 HydrophobicContact CG-CD1 4.46Å; L353-L393 HydrophobicContact CD2-CD1 3.64Å; L353-L393 HydrophobicContact CD2-CG 4.29Å; L353-L399 HydrophobicContact CD2-CD2 4.48Å
354Y91.3Very high85.2Confident2 Ų246.7 Ų46.71%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-117.2150.5174.2-66-101.7000109.5F207 K352 V358 F359 V378 V379 D380 S381F207-Y354 HydrophobicContact CD2-CD1 4.16Å; F207-Y354 AromaticContact CD2-CE1 3.52Å; F207-Y354 HydrophobicContact CD2-CE1 3.52Å; F207-Y354 AromaticContact CD2-CZ 3.74Å; F207-Y354 AromaticContact CE2-CE1 3.96Å; F207-Y354 HydrophobicContact CE2-CE1 3.96Å; F207-Y354 HydrophobicContact CE2-CE2 4.31Å; F207-Y354 AromaticContact CE2-CZ 3.66Å; F207-Y354 WeakPolarHBondContact CE2-OH 3.48Å; K352-Y354 HydrophobicContact CB-CD2 4.23Å; K352-Y354 HydrophobicContact CB-CE2 3.49Å; K352-Y354 VanDerWaalsContact CB-CE2 3.49Å; K352-Y354 HydrophobicContact CD-CE2 4.36Å; Y354-V358 CarbonylContact C-O 3.5Å; Y354-V358 VanDerWaalsContact CA-O 3.22Å; Y354-V358 WeakPolarHBondContact CA-O 3.39Å; Y354-V358 VanDerWaalsContact CD1-C 3.49Å; Y354-F359 HydrophobicContact CD1-CB 4.05Å; Y354-F359 HydrophobicContact CE1-CB 3.62Å; Y354-F359 HydrophobicContact CE1-CD2 4.09Å; Y354-F359 HydrophobicContact CE1-CG 4.36Å; Y354-F359 HydrophobicContact CE2-CD2 4.27Å; Y354-F359 AromaticContact CZ-CD2 3.84Å; Y354-V378 HydrophobicContact CD2-CG1 3.53Å; Y354-V378 HydrophobicContact CE2-CG1 3.81Å; Y354-V378 HydrophobicContact CE2-CG2 4.12Å; Y354-V378 HydrophobicContact CG-CG1 4.44Å; Y354-V379 PolarHBondContact N-O 3.43Å; Y354-D380 WeakPolarHBondContact CB-OD1 3.33Å; Y354-D380 WeakPolarHBondContact O-CA 3.45Å; Y354-S381 PolarHBondContact O-N 2.85Å; Y354-S381 VanDerWaalsContact O-N 3.16Å
355V89.1Confident84.9Confident8 Ų844.7 Ų44.75%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-127.8120.8167.6173.40000107.2R357 V358 I360 S381 L384 L386V355-R357 PolarHBondContact O-N 3.33Å; V355-V358 PolarHBondContact N-O 2.89Å; V355-V358 PolarHBondContact O-N 3.37Å; V355-I360 HydrophobicContact CB-CD1 4.14Å; V355-I360 HydrophobicContact CB-CG1 3.87Å; V355-I360 HydrophobicContact CG2-CD1 4.41Å; V355-I360 HydrophobicContact CG2-CG1 3.73Å; V355-S381 CarbonylContact C-O 3.56Å; V355-S381 VanDerWaalsContact CA-O 3.23Å; V355-S381 WeakPolarHBondContact CA-O 3.46Å; V355-L384 HydrophobicContact CG2-CB 3.74Å; V355-L384 HydrophobicContact CG2-CD1 3.67Å; V355-L384 HydrophobicContact CG2-CG 4.04Å; V355-L386 HydrophobicContact CB-CD1 4.2Å; V355-L386 HydrophobicContact CG1-CD1 4.08Å; V355-L386 HydrophobicContact CG2-CD1 4.47Å; V355-L386 HydrophobicContact CG2-CD2 4.08Å; V355-L386 HydrophobicContact CG2-CG 4.49Å
356R86.7Confident84.7Confident34 Ų3438.8 Ų38.813%0.12818%0.182CC..THydrogen-bonded Turntrans51.842.3-175.7-53.9-178.8176.2-143.9-15.8111.1S123 M124 I125 V358 D380 S381 E382S123-R356 WeakPolarHBondContact OG-CD 3.32Å; S123-R356 VanDerWaalsContact OG-CG 3.28Å; S123-R356 WeakPolarHBondContact OG-CG 3.31Å; S123-R356 VanDerWaalsContact OG-CZ 3.22Å; S123-R356 PolarHBondContact OG-NE 3.03Å; S123-R356 VanDerWaalsContact OG-NE 3.14Å; S123-R356 PolarHBondContact OG-NH1 2.79Å; M124-R356 PolarHBondContact O-NH1 3.09Å; I125-R356 HydrophobicContact CD1-CB 3.76Å; I125-R356 WeakPolarHBondContact CD1-O 3.31Å; I125-R356 HydrophobicContact CG1-CB 3.65Å; I125-R356 HydrophobicContact CG1-CG 4.27Å; R356-V358 PolarHBondContact O-N 3.37Å; R356-D380 PolarHBondContact N-OD1 3.49Å; R356-S381 PolarHBondContact N-O 3.5Å; R356-E382 VanDerWaalsContact CZ-O 3.31Å; R356-E382 PolarHBondContact NE-O 3.19Å; R356-E382 PolarHBondContact NH2-O 3.48Å
357R89.3Confident84.8Confident55 Ų5535.8 Ų35.821%0.20817%0.169CC..THydrogen-bonded Turntrans66.55.5-177.6-49.9168.5-69.5-79.53.1116.1F207 W287 V355 D380 E382F207-R357 HydrophobicContact CB-CB 4.11Å; F207-R357 WeakPolarHBondContact O-CB 3.4Å; W287-R357 HydrophobicContact CZ2-CG 4.43Å; V355-R357 PolarHBondContact O-N 3.33Å; R357-D380 WeakPolarHBondContact CG-OD2 3.27Å; R357-D380 PolarHBondContact N-OD1 3.4Å; R357-D380 PolarHBondContact N-OD2 3.3Å; R357-E382 IonicContact NH1-OE1 3.44Å
358V86.7Confident85.2Confident2 Ų231.7 Ų31.71%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-94.5132.3171.2170.30000110.2R40 I125 I208 Y354 V355 R356 I360R40-V358 HydrophobicContact CG-CG1 4.1Å; I125-V358 HydrophobicContact CD1-CB 3.85Å; I125-V358 HydrophobicContact CD1-CG2 3.17Å; I208-V358 HydrophobicContact CD1-CG2 3.79Å; Y354-V358 CarbonylContact C-O 3.5Å; Y354-V358 VanDerWaalsContact CA-O 3.22Å; Y354-V358 WeakPolarHBondContact CA-O 3.39Å; Y354-V358 VanDerWaalsContact CD1-C 3.49Å; V355-V358 PolarHBondContact N-O 2.89Å; V355-V358 PolarHBondContact O-N 3.37Å; R356-V358 PolarHBondContact O-N 3.37Å; V358-I360 PolarHBondContact O-N 3.12Å
359F89.2Confident85.7Confident12 Ų1229.7 Ų29.75%0.05314%0.143CC..EExtended strand (participates in β ladder)trans-66.4128.9179.4177.6-103.2000110.7K203 H204 K352 Y354 D362K203-F359 HydrophobicContact CG-CD1 4.35Å; K203-F359 HydrophobicContact CG-CE1 4.31Å; K203-F359 WeakPolarHBondContact O-CB 3.4Å; K203-F359 WeakPolarHBondContact O-CG 3.4Å; H204-F359 AromaticContact ND1-CD1 3.67Å; K352-F359 HydrophobicContact CB-CD2 4.45Å; K352-F359 HydrophobicContact CB-CE2 4.14Å; K352-F359 HydrophobicContact CD-CE2 4.29Å; K352-F359 HydrophobicContact CG-CE2 4.2Å; Y354-F359 HydrophobicContact CD1-CB 4.05Å; Y354-F359 HydrophobicContact CE1-CB 3.62Å; Y354-F359 HydrophobicContact CE1-CD2 4.09Å; Y354-F359 HydrophobicContact CE1-CG 4.36Å; Y354-F359 HydrophobicContact CE2-CD2 4.27Å; Y354-F359 AromaticContact CZ-CD2 3.84Å; F359-D362 HydrophobicContact CE2-CB 3.92Å; F359-D362 HydrophobicContact CZ-CB 3.72Å
360I87.3Confident86Confident9 Ų930 Ų305%0.04614%0.143CC..EExtended strand (participates in β ladder)trans-107.4-58.2178.7-57.2-55.4000109.9L353 V355 V358 L386 R390L353-I360 PolarHBondContact O-N 3.38Å; V355-I360 HydrophobicContact CB-CD1 4.14Å; V355-I360 HydrophobicContact CB-CG1 3.87Å; V355-I360 HydrophobicContact CG2-CD1 4.41Å; V355-I360 HydrophobicContact CG2-CG1 3.73Å; V358-I360 PolarHBondContact O-N 3.12Å; I360-L386 HydrophobicContact CD1-CD1 3.69Å; I360-L386 HydrophobicContact CD1-CD2 3.88Å; I360-L386 HydrophobicContact CD1-CG 4.46Å; I360-L386 HydrophobicContact CG1-CD2 3.98Å; I360-L386 HydrophobicContact CG2-CD2 3.79Å; I360-R390 WeakPolarHBondContact CD1-O 3.48Å
361M83.8Confident86.2Confident27 Ų2729.5 Ų29.513%0.13314%0.14CC..EExtended strand (participates in β ladder)trans-155.3149.2-176.564.3-179.174.800111.7L353 C364 L393L353-M361 HydrophobicContact CB-CG 3.96Å; L353-M361 HydrophobicContact CD2-CE 4.47Å; L353-M361 HydrophobicContact CD2-CG 4.03Å; L353-M361 HydrophobicContact CD2-SD 4.26Å; L353-M361 PolarHBondContact N-O 2.6Å; L353-M361 PolarHBondContact O-N 2.73Å; M361-C364 HydrophobicContact SD-CB 4.16Å; M361-L393 HydrophobicContact CE-CB 4.48Å; M361-L393 HydrophobicContact CE-CD1 4.33Å; M361-L393 HydrophobicContact CE-CG 4.03Å
362D77.9Confident86.3Confident28 Ų2829.2 Ų29.215%0.1514%0.139CC..SBendtrans-108.1-24168.960.7-11.2000111.9K347 N349 K352 F359 C364K347-D362 WeakPolarHBondContact CE-OD1 3.26Å; K347-D362 IonicContact NZ-OD1 3.89Å; K347-D362 PolarHBondContact NZ-OD1 2.95Å; K347-D362 IonicContact NZ-OD2 3.42Å; K347-D362 PolarHBondContact NZ-OD2 2.62Å; N349-D362 WeakPolarHBondContact CA-O 3.38Å; N349-D362 HydrophobicContact CB-CB 3.89Å; N349-D362 WeakPolarHBondContact CB-OD2 3.36Å; K352-D362 HydrophobicContact CG-CB 4.25Å; F359-D362 HydrophobicContact CE2-CB 3.92Å; F359-D362 HydrophobicContact CZ-CB 3.72Å; D362-C364 PolarHBondContact O-N 3.13Å; D362-C364 VanDerWaalsContact O-N 3.14Å
363N71.1Confident86.4Confident83 Ų8327.7 Ų27.744%0.44413%0.133SC..  trans-89.268-176.1-165.332.2000112.6
364C67.6Low86.6Confident12 Ų1227.7 Ų27.78%0.08113%0.133CC..  trans-111.478.3-179.8-160.30000111.2M361 D362 E366 L367M361-C364 HydrophobicContact SD-CB 4.16Å; D362-C364 PolarHBondContact O-N 3.13Å; D362-C364 VanDerWaalsContact O-N 3.14Å; C364-E366 PolarHBondContact O-N 3.04Å; C364-L367 HydrophobicContact CB-CB 3.76Å; C364-L367 HydrophobicContact CB-CD2 4.35Å; C364-L367 VanDerWaalsContact O-CB 3.28Å; C364-L367 WeakPolarHBondContact O-CB 3.1Å; C364-L367 PolarHBondContact O-N 3.22Å
365E73.5Confident86.9Confident115 Ų11527.6 Ų27.654%0.53713%0.132SC..THydrogen-bonded Turntrans-54.6-26.6173.9-58.2-157.3121.500112.5K348 L367 I368K348-E365 HydrophobicContact CD-CG 4.2Å; K348-E365 WeakPolarHBondContact CE-OE1 3.31Å; K348-E365 IonicContact NZ-OE1 3.22Å; K348-E365 PolarHBondContact NZ-OE1 3.08Å; E365-L367 VanDerWaalsContact C-N 3.33Å; E365-I368 VanDerWaalsContact O-O 3.11Å
366E80.7Confident87.2Confident79 Ų7928.9 Ų28.937%0.36914%0.136SC..THydrogen-bonded Turntrans-78-14.4177.4-63-163.3171.400114.1C364 S396 L399 R403C364-E366 PolarHBondContact O-N 3.04Å; E366-S396 WeakPolarHBondContact OE2-CB 3.14Å; E366-L399 HydrophobicContact CB-CB 4.3Å; E366-L399 HydrophobicContact CB-CD1 4.31Å; E366-R403 WeakPolarHBondContact O-CD 3.42Å
367L87.6Confident87.6Confident1 Ų127.2 Ų27.21%0.00513%0.13CC..THydrogen-bonded Turntrans-79.3-32-172.4-168.460.3000112.7I351 C364 E365 V379 L399 I402 R403 I406I351-L367 HydrophobicContact CB-CD2 3.95Å; I351-L367 HydrophobicContact CG2-CD2 3.5Å; I351-L367 VanDerWaalsContact CG2-CD2 3.5Å; C364-L367 HydrophobicContact CB-CB 3.76Å; C364-L367 HydrophobicContact CB-CD2 4.35Å; C364-L367 VanDerWaalsContact O-CB 3.28Å; C364-L367 WeakPolarHBondContact O-CB 3.1Å; C364-L367 PolarHBondContact O-N 3.22Å; E365-L367 VanDerWaalsContact C-N 3.33Å; L367-V379 HydrophobicContact CD2-CG2 4.34Å; L367-L399 HydrophobicContact CD1-CD2 4.29Å; L367-I402 HydrophobicContact CD1-CB 3.93Å; L367-I402 HydrophobicContact CD1-CG2 3.42Å; L367-I402 VanDerWaalsContact CD1-CG2 3.42Å; L367-R403 VanDerWaalsContact O-CA 3.24Å; L367-R403 WeakPolarHBondContact O-CA 3.37Å; L367-R403 WeakPolarHBondContact O-CB 3.23Å; L367-R403 WeakPolarHBondContact O-CG 3.14Å; L367-I406 HydrophobicContact CD1-CD1 3.72Å; L367-I406 HydrophobicContact CD2-CD1 4.37Å; L367-I406 HydrophobicContact CG-CD1 3.75Å
368I91.6Very high87.8Confident17 Ų1724.7 Ų24.79%0.08712%0.121CC..SBendtrans-136.6147178.353.9173.4000111.1I351 E365 I406I351-I368 HydrophobicContact CD1-CD1 4.34Å; I351-I368 HydrophobicContact CD1-CG2 3.45Å; I351-I368 VanDerWaalsContact CD1-CG2 3.45Å; I351-I368 HydrophobicContact CG1-CD1 4.44Å; E365-I368 VanDerWaalsContact O-O 3.11Å; I368-I406 HydrophobicContact CG2-CG2 3.8Å
369P93.5Very high88.2Confident7 Ų724.6 Ų24.65%0.04512%0.12CC..  trans-68156.8168.930.9-34.8000111.2Y371 L372 V407P369-Y371 VanDerWaalsContact C-N 3.25Å; P369-Y371 HydrophobicContact CB-CD1 3.56Å; P369-Y371 HydrophobicContact CB-CE1 3.41Å; P369-Y371 VanDerWaalsContact CB-CE1 3.41Å; P369-Y371 HydrophobicContact CB-CG 4.48Å; P369-Y371 HydrophobicContact CG-CD1 3.76Å; P369-Y371 HydrophobicContact CG-CE1 3.31Å; P369-Y371 HydrophobicContact CG-CE2 4.32Å; P369-Y371 HydrophobicContact CG-CG 4.41Å; P369-Y371 PolarHBondContact O-N 3.49Å; P369-L372 HydrophobicContact CG-CB 4.1Å; P369-L372 HydrophobicContact CG-CD1 3.78Å; P369-L372 HydrophobicContact CG-CG 3.84Å; P369-L372 PolarHBondContact O-N 3.31Å; P369-V407 HydrophobicContact CG-CG2 3.8Å
370E92.4Very high88.5Confident71 Ų7124.3 Ų24.333%0.33212%0.119SC..G310 helixtrans-57.1-39.3-178.3-166.459.6-139.500112.4K348 L372 N373 L437K348-E370 WeakPolarHBondContact CE-OE2 3.33Å; K348-E370 IonicContact NZ-OE2 2.69Å; K348-E370 PolarHBondContact NZ-OE2 3.11Å; E370-L372 PolarHBondContact O-N 3.08Å; E370-N373 WeakPolarHBondContact O-CB 3.48Å; E370-N373 PolarHBondContact O-N 2.93Å; E370-N373 PolarHBondContact OE1-ND2 2.89Å; E370-L437 HydrophobicContact CG-CD2 4.5Å
371Y95.6Very high88.6Confident2 Ų223.9 Ų23.91%0.00812%0.117CC..G310 helixtrans-64.2-13.917877.3-97000114.2P369 F374 V407 N434 G438 D442 L449P369-Y371 VanDerWaalsContact C-N 3.25Å; P369-Y371 HydrophobicContact CB-CD1 3.56Å; P369-Y371 HydrophobicContact CB-CE1 3.41Å; P369-Y371 VanDerWaalsContact CB-CE1 3.41Å; P369-Y371 HydrophobicContact CB-CG 4.48Å; P369-Y371 HydrophobicContact CG-CD1 3.76Å; P369-Y371 HydrophobicContact CG-CE1 3.31Å; P369-Y371 HydrophobicContact CG-CE2 4.32Å; P369-Y371 HydrophobicContact CG-CG 4.41Å; P369-Y371 PolarHBondContact O-N 3.49Å; Y371-F374 WeakPolarHBondContact O-CE1 3.41Å; Y371-V407 WeakPolarHBondContact OH-CG1 3.44Å; Y371-N434 WeakPolarHBondContact CB-O 3.48Å; Y371-N434 WeakPolarHBondContact O-CB 3.27Å; Y371-N434 PolarHBondContact O-ND2 3.34Å; Y371-G438 VanDerWaalsContact CG-CA 3.44Å; Y371-D442 HydrophobicContact CD1-CB 4.4Å; Y371-D442 HydrophobicContact CE1-CB 3.65Å; Y371-D442 WeakPolarHBondContact CE1-OD2 3.45Å; Y371-D442 PolarHBondContact OH-OD2 3.04Å; Y371-L449 HydrophobicContact CE2-CD1 4.31Å; Y371-L449 HydrophobicContact CE2-CD2 4.24Å
372L96.1Very high88.6Confident0 Ų025.2 Ų25.20%012%0.123CC..G310 helixtrans-104.111.7173.8-63.8-178.5000113.3P369 E370 F374 V375 V407 C410 F414P369-L372 HydrophobicContact CG-CB 4.1Å; P369-L372 HydrophobicContact CG-CD1 3.78Å; P369-L372 HydrophobicContact CG-CG 3.84Å; P369-L372 PolarHBondContact O-N 3.31Å; E370-L372 PolarHBondContact O-N 3.08Å; L372-F374 HydrophobicContact CD2-CE1 4.24Å; L372-F374 HydrophobicContact CD2-CZ 4.4Å; L372-F374 PolarHBondContact O-N 3.47Å; L372-V375 HydrophobicContact CB-CG2 4.23Å; L372-V375 HydrophobicContact CD2-CG2 4.43Å; L372-V375 WeakPolarHBondContact O-CB 3.35Å; L372-V375 WeakPolarHBondContact O-CG2 3.46Å; L372-V375 PolarHBondContact O-N 3.36Å; L372-V407 HydrophobicContact CD1-CB 4.45Å; L372-V407 HydrophobicContact CD1-CG2 3.92Å; L372-C410 HydrophobicContact CD1-CB 4.01Å; L372-C410 HydrophobicContact CD2-CB 4.47Å; L372-F414 HydrophobicContact CD2-CE2 3.66Å; L372-F414 HydrophobicContact CD2-CZ 3.81Å
373N93.3Very high88.6Confident17 Ų1729.5 Ų29.59%0.09115%0.146CC..THydrogen-bonded Turntrans-67.99.8-176-162.221.8000114.6N350 E370 R376N350-N373 PolarHBondContact ND2-O 3.38Å; N350-N373 PolarHBondContact ND2-OD1 2.88Å; E370-N373 WeakPolarHBondContact O-CB 3.48Å; E370-N373 PolarHBondContact O-N 2.93Å; E370-N373 PolarHBondContact OE1-ND2 2.89Å; N373-R376 PolarHBondContact O-NH1 3.43Å
374F94.9Very high89.2Confident0 Ų026.1 Ų26.10%013%0.128CC..THydrogen-bonded Turntrans-98.6-20.6168.364.2-86000112.9I333 P334 L341 Y371 L372 R376 F414 F427 F431 N434I333-F374 HydrophobicContact CD1-CE2 4.01Å; I333-F374 HydrophobicContact CG2-CE2 4.15Å; P334-F374 WeakPolarHBondContact CD-O 3.34Å; L341-F374 HydrophobicContact CD1-CB 3.8Å; L341-F374 HydrophobicContact CD2-CB 4.43Å; Y371-F374 WeakPolarHBondContact O-CE1 3.41Å; L372-F374 HydrophobicContact CD2-CE1 4.24Å; L372-F374 HydrophobicContact CD2-CZ 4.4Å; L372-F374 PolarHBondContact O-N 3.47Å; F374-R376 PolarHBondContact O-N 3.09Å; F374-R376 PolarHBondContact O-NH1 3.37Å; F374-F414 HydrophobicContact CE2-CE1 4.3Å; F374-F414 HydrophobicContact CE2-CZ 4.17Å; F374-F414 HydrophobicContact CZ-CE1 4.14Å; F374-F414 HydrophobicContact CZ-CE2 4.47Å; F374-F414 AromaticContact CZ-CZ 3.62Å; F374-F414 HydrophobicContact CZ-CZ 3.62Å; F374-F427 AromaticContact CE2-CE2 3.92Å; F374-F427 HydrophobicContact CE2-CE2 3.92Å; F374-F427 HydrophobicContact CZ-CE2 4.07Å; F374-F427 HydrophobicContact CZ-CZ 4.4Å; F374-F431 HydrophobicContact CB-CD1 3.74Å; F374-F431 HydrophobicContact CB-CE1 3.54Å; F374-F431 AromaticContact CD1-CD1 3.97Å; F374-F431 HydrophobicContact CD1-CD1 3.97Å; F374-F431 AromaticContact CD2-CD1 3.52Å; F374-F431 HydrophobicContact CD2-CD1 3.52Å; F374-F431 HydrophobicContact CD2-CD2 4.23Å; F374-F431 AromaticContact CD2-CE1 3.63Å; F374-F431 HydrophobicContact CD2-CE1 3.63Å; F374-F431 HydrophobicContact CD2-CE2 4.33Å; F374-F431 AromaticContact CD2-CG 3.85Å; F374-F431 HydrophobicContact CD2-CG 3.85Å; F374-F431 HydrophobicContact CD2-CZ 4.07Å; F374-F431 HydrophobicContact CE1-CB 4.42Å; F374-F431 HydrophobicContact CE1-CD1 4.44Å; F374-F431 HydrophobicContact CE2-CB 4.33Å; F374-F431 HydrophobicContact CE2-CD1 4.03Å; F374-F431 HydrophobicContact CE2-CD2 4.19Å; F374-F431 HydrophobicContact CE2-CE1 4.47Å; F374-F431 AromaticContact CE2-CG 3.9Å; F374-F431 HydrophobicContact CE2-CG 3.9Å; F374-F431 AromaticContact CG-CD1 3.46Å; F374-F431 HydrophobicContact CG-CD1 3.46Å; F374-F431 VanDerWaalsContact CG-CD1 3.46Å; F374-F431 AromaticContact CG-CE1 3.69Å; F374-F431 HydrophobicContact CG-CE1 3.69Å; F374-F431 HydrophobicContact CG-CG 4.17Å; F374-F431 HydrophobicContact CZ-CB 4.21Å; F374-F431 HydrophobicContact CZ-CD1 4.46Å; F374-F431 HydrophobicContact CZ-CG 4.26Å; F374-N434 HydrophobicContact CD1-CB 3.89Å; F374-N434 HydrophobicContact CE1-CB 3.68Å
375V96.2Very high89.9Confident0 Ų027.6 Ų27.60%014%0.137CC..  trans-67.1126.1-179.2-178.60000109.5L331 I333 N350 I351 L372L331-V375 HydrophobicContact CB-CG1 3.97Å; L331-V375 HydrophobicContact CD2-CG1 4.19Å; I333-V375 HydrophobicContact CD1-CG1 4.34Å; I333-V375 HydrophobicContact CD1-CG2 3.8Å; N350-V375 WeakPolarHBondContact CB-O 3.34Å; I351-V375 HydrophobicContact CD1-CG1 4.46Å; L372-V375 HydrophobicContact CB-CG2 4.23Å; L372-V375 HydrophobicContact CD2-CG2 4.43Å; L372-V375 WeakPolarHBondContact O-CB 3.35Å; L372-V375 WeakPolarHBondContact O-CG2 3.46Å; L372-V375 PolarHBondContact O-N 3.36Å
376R95.8Very high90.3Very high35 Ų3522.7 Ų22.713%0.13212%0.115CC..EExtended strand (participates in β ladder)trans-100.7148.6176.8-61.5-65.3-176-98.613.1109.5Y303 T307 L331 F332 N350 N373 F374Y303-R376 HydrophobicContact CE2-CB 4.35Å; T307-R376 HydrophobicContact CG2-CB 4Å; T307-R376 HydrophobicContact CG2-CG 3.94Å; L331-R376 CarbonylContact C-O 3.12Å; L331-R376 WeakPolarHBondContact CA-O 3.34Å; F332-R376 HydrophobicContact CB-CB 4.37Å; F332-R376 PolarHBondContact N-O 2.87Å; F332-R376 PolarHBondContact O-N 3.27Å; N350-R376 PolarHBondContact ND2-NH1 3.09Å; N350-R376 CarbonylContact O-C 3.54Å; N350-R376 VanDerWaalsContact O-CA 3.3Å; N350-R376 WeakPolarHBondContact O-CA 3.32Å; N350-R376 PolarHBondContact OD1-NE 2.66Å; N350-R376 PolarHBondContact OD1-NH1 3.41Å; N350-R376 PolarHBondContact OD1-NH2 3.04Å; N350-R376 VanDerWaalsContact OD1-NH2 3.1Å; N373-R376 PolarHBondContact O-NH1 3.43Å; F374-R376 PolarHBondContact O-N 3.09Å; F374-R376 PolarHBondContact O-NH1 3.37Å
377G95.1Very high90.3Very high0 Ų020.7 Ų20.70%011%0.106CC..EExtended strand (participates in β ladder)trans174.4-175.5178.300000117.1L330 N350 I351 K352L330-G377 CarbonylContact O-C 3.58Å; L330-G377 WeakPolarHBondContact O-CA 3.33Å; N350-G377 PolarHBondContact O-N 2.89Å; I351-G377 WeakPolarHBondContact CA-O 3.34Å; K352-G377 PolarHBondContact N-O 2.99Å
378V95.1Very high90Very high1 Ų124.2 Ų24.21%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-131.2137.9176.6173.80000108.4W287 F302 L306 A329 L330 K352 Y354W287-V378 HydrophobicContact CD2-CG1 4.28Å; W287-V378 HydrophobicContact CE3-CB 4.45Å; W287-V378 HydrophobicContact CE3-CG1 4.03Å; W287-V378 HydrophobicContact CH2-CG1 3.86Å; W287-V378 HydrophobicContact CZ2-CG1 4.15Å; W287-V378 HydrophobicContact CZ3-CB 4.36Å; W287-V378 HydrophobicContact CZ3-CG1 3.83Å; W287-V378 HydrophobicContact CZ3-CG2 4.4Å; F302-V378 HydrophobicContact CE1-CG2 4.44Å; F302-V378 HydrophobicContact CZ-CG2 4.12Å; L306-V378 HydrophobicContact CD1-CG2 3.85Å; L306-V378 HydrophobicContact CD2-CG2 4Å; A329-V378 VanDerWaalsContact CA-O 3.23Å; A329-V378 WeakPolarHBondContact CA-O 3.45Å; L330-V378 PolarHBondContact N-O 2.65Å; L330-V378 PolarHBondContact O-N 3.38Å; K352-V378 WeakPolarHBondContact O-CA 3.46Å; Y354-V378 HydrophobicContact CD2-CG1 3.53Å; Y354-V378 HydrophobicContact CE2-CG1 3.81Å; Y354-V378 HydrophobicContact CE2-CG2 4.12Å; Y354-V378 HydrophobicContact CG-CG1 4.44Å
379V95.1Very high89.4Confident0 Ų023.8 Ų23.80%012%0.123CC..EExtended strand (participates in β ladder)trans-121.5122.9167.3176.70000106.5F327 A329 I351 K352 L353 Y354 L367 I402 I406F327-V379 HydrophobicContact CB-CG1 4.42Å; F327-V379 HydrophobicContact CD2-CG1 3.77Å; F327-V379 HydrophobicContact CE2-CG1 4.34Å; F327-V379 HydrophobicContact CG-CG1 4.29Å; A329-V379 HydrophobicContact CB-CG2 4.06Å; I351-V379 HydrophobicContact CG2-CG2 3.69Å; K352-V379 PolarHBondContact O-N 3.48Å; L353-V379 CarbonylContact C-O 3.56Å; L353-V379 WeakPolarHBondContact CA-O 3.4Å; L353-V379 HydrophobicContact CD1-CB 4.02Å; L353-V379 HydrophobicContact CD1-CG1 3.82Å; Y354-V379 PolarHBondContact N-O 3.43Å; L367-V379 HydrophobicContact CD2-CG2 4.34Å; V379-I402 HydrophobicContact CG1-CG2 4.11Å; V379-I406 HydrophobicContact CG2-CD1 3.8Å
380D93.8Very high88.8Confident6 Ų624.2 Ų24.23%0.03212%0.123CC..EExtended strand (participates in β ladder)trans-123.3128.6177.1-170.224.6000109.7W287 F327 R328 Y354 R356 R357W287-D380 HydrophobicContact CZ2-CB 4.13Å; W287-D380 PolarHBondContact NE1-OD2 3.11Å; F327-D380 CarbonylContact C-O 3.41Å; F327-D380 VanDerWaalsContact CA-O 3.25Å; F327-D380 WeakPolarHBondContact CA-O 3.38Å; F327-D380 VanDerWaalsContact CB-O 3.3Å; F327-D380 WeakPolarHBondContact CB-O 3.44Å; R328-D380 PolarHBondContact N-O 3Å; R328-D380 PolarHBondContact O-N 3.18Å; Y354-D380 WeakPolarHBondContact CB-OD1 3.33Å; Y354-D380 WeakPolarHBondContact O-CA 3.45Å; R356-D380 PolarHBondContact N-OD1 3.49Å; R357-D380 WeakPolarHBondContact CG-OD2 3.27Å; R357-D380 PolarHBondContact N-OD1 3.4Å; R357-D380 PolarHBondContact N-OD2 3.3Å
381S90.8Very high88.3Confident1 Ų122.6 Ų22.61%0.00712%0.116CC..EExtended strand (participates in β ladder)trans-126.3144.7-178.3-177.70000110.8E326 Y354 V355 R356 L384E326-S381 WeakPolarHBondContact O-CB 3.35Å; E326-S381 PolarHBondContact O-OG 3.23Å; Y354-S381 PolarHBondContact O-N 2.85Å; Y354-S381 VanDerWaalsContact O-N 3.16Å; V355-S381 CarbonylContact C-O 3.56Å; V355-S381 VanDerWaalsContact CA-O 3.23Å; V355-S381 WeakPolarHBondContact CA-O 3.46Å; R356-S381 PolarHBondContact N-O 3.5Å; S381-L384 WeakPolarHBondContact OG-CG 3.3Å
382E83.6Confident87.4Confident54 Ų5428.6 Ų28.625%0.25215%0.146SC..SBendtrans-86.5-20.8179.9-64.4-61.2149.500112.6S123 R356 R357S123-E382 WeakPolarHBondContact CB-OE2 3.35Å; S123-E382 PolarHBondContact OG-OE2 3.44Å; R356-E382 VanDerWaalsContact CZ-O 3.31Å; R356-E382 PolarHBondContact NE-O 3.19Å; R356-E382 PolarHBondContact NH2-O 3.48Å; R357-E382 IonicContact NH1-OE1 3.44Å
383D77.7Confident86.6Confident119 Ų11929.7 Ų29.764%0.63615%0.152SC*.  trans-141.372-169.8-168.119.5000112.3
384L83.8Confident85.7Confident12 Ų1234.7 Ų34.76%0.06317%0.174CC..  trans-110.5134169.9-70.2-176000111.5L325 L353 V355 S381 L386 L393 I398L325-L384 HydrophobicContact CD1-CD2 3.66Å; L353-L384 HydrophobicContact CD1-CD1 4.02Å; L353-L384 HydrophobicContact CD2-CD1 4.16Å; L353-L384 HydrophobicContact CG-CD1 4.46Å; V355-L384 HydrophobicContact CG2-CB 3.74Å; V355-L384 HydrophobicContact CG2-CD1 3.67Å; V355-L384 HydrophobicContact CG2-CG 4.04Å; S381-L384 WeakPolarHBondContact OG-CG 3.3Å; L384-L386 PolarHBondContact O-N 3.04Å; L384-L393 HydrophobicContact CB-CD2 3.66Å; L384-L393 HydrophobicContact CD1-CD1 4.45Å; L384-L393 HydrophobicContact CD1-CD2 3.87Å; L384-L393 HydrophobicContact CG-CD2 4.21Å; L384-I398 HydrophobicContact CD2-CG2 3.52Å
385P81.8Confident84.7Confident43 Ų4339.9 Ų39.928%0.27920%0.198SC..  trans-73.693.5175.430.2-33.9000110.3Q394 Q395 I398P385-Q394 PolarHBondContact O-N 2.89Å; P385-Q395 HydrophobicContact CG-CG 4.47Å; P385-I398 VanDerWaalsContact CD-CD1 3.45Å; P385-I398 HydrophobicContact CG-CD1 3.52Å
386L82.1Confident83.5Confident12 Ų1242.7 Ų42.76%0.06322%0.218CC..BIsolated β-bridgetrans-76.2148.4176.2-65177000111.6V355 I360 L384 R390 L393 Q394V355-L386 HydrophobicContact CB-CD1 4.2Å; V355-L386 HydrophobicContact CG1-CD1 4.08Å; V355-L386 HydrophobicContact CG2-CD1 4.47Å; V355-L386 HydrophobicContact CG2-CD2 4.08Å; V355-L386 HydrophobicContact CG2-CG 4.49Å; I360-L386 HydrophobicContact CD1-CD1 3.69Å; I360-L386 HydrophobicContact CD1-CD2 3.88Å; I360-L386 HydrophobicContact CD1-CG 4.46Å; I360-L386 HydrophobicContact CG1-CD2 3.98Å; I360-L386 HydrophobicContact CG2-CD2 3.79Å; L384-L386 PolarHBondContact O-N 3.04Å; L386-R390 HydrophobicContact CD1-CB 4.21Å; L386-R390 HydrophobicContact CD1-CG 4.26Å; L386-L393 HydrophobicContact CD2-CD2 3.94Å; L386-Q394 PolarHBondContact O-NE2 3.42Å
387N81.5Confident83Confident36 Ų3648.8 Ų48.819%0.19325%0.245CC..  trans-70.1172.4167.876.6-19.3000111S389 R390 E391 M392 Q394N387-S389 PolarHBondContact ND2-OG 3.29Å; N387-S389 PolarHBondContact O-N 3.49Å; N387-S389 PolarHBondContact OD1-N 3.46Å; N387-S389 PolarHBondContact OD1-OG 2.96Å; N387-R390 PolarHBondContact O-N 3.24Å; N387-R390 WeakPolarHBondContact OD1-CA 3.46Å; N387-R390 PolarHBondContact OD1-N 3.06Å; N387-E391 PolarHBondContact OD1-N 2.87Å; N387-E391 VanDerWaalsContact OD1-N 3.12Å; N387-M392 WeakPolarHBondContact CB-O 3.47Å; N387-M392 PolarHBondContact N-O 2.8Å; N387-M392 PolarHBondContact OD1-N 2.73Å; N387-M392 VanDerWaalsContact OD1-N 3.15Å; N387-M392 PolarHBondContact OD1-O 3.15Å; N387-Q394 HydrophobicContact CB-CG 4.11Å
388I80.4Confident82.6Confident76 Ų7650.1 Ų50.139%0.3925%0.252SS..THydrogen-bonded Turntrans-60.8-31.5-176.6-133.4159.7000112.6F31 V130 R390F31-I388 HydrophobicContact CB-CG2 4.21Å; F31-I388 HydrophobicContact CD2-CD1 4.36Å; F31-I388 HydrophobicContact CD2-CG2 3.58Å; F31-I388 HydrophobicContact CE2-CD1 3.78Å; F31-I388 HydrophobicContact CE2-CG1 4.38Å; F31-I388 HydrophobicContact CE2-CG2 4.04Å; F31-I388 HydrophobicContact CG-CG2 3.92Å; F31-I388 HydrophobicContact CZ-CD1 4.37Å; V130-I388 HydrophobicContact CG2-CG1 4.43Å; I388-R390 VanDerWaalsContact C-N 3.32Å
389S79.3Confident82.2Confident7 Ų750.6 Ų50.65%0.04926%0.255CS..THydrogen-bonded Turntrans-81.2-10.817976.60000113.6F31 R40 N387 E391F31-S389 WeakPolarHBondContact O-CB 3.45Å; R40-S389 PolarHBondContact NH2-O 3.2Å; N387-S389 PolarHBondContact ND2-OG 3.29Å; N387-S389 PolarHBondContact O-N 3.49Å; N387-S389 PolarHBondContact OD1-N 3.46Å; N387-S389 PolarHBondContact OD1-OG 2.96Å; S389-E391 PolarHBondContact O-N 2.86Å; S389-E391 VanDerWaalsContact O-N 3.15Å; S389-E391 WeakPolarHBondContact OG-CB 3.42Å; S389-E391 PolarHBondContact OG-N 3.2Å
390R81.4Confident81.9Confident16 Ų1656.2 Ų56.26%0.0628%0.279CS..SBendtrans53.922.6-171.3-50.8174.8-174.6-92.96.4114.3E41 I125 F128 I360 L386 N387 I388E41-R390 WeakPolarHBondContact OE1-CD 3.27Å; E41-R390 IonicContact OE1-NE 3.48Å; E41-R390 IonicContact OE2-NE 2.72Å; E41-R390 PolarHBondContact OE2-NE 2.71Å; I125-R390 VanDerWaalsContact O-CZ 3.22Å; I125-R390 PolarHBondContact O-NH1 3.19Å; I125-R390 PolarHBondContact O-NH2 3.21Å; F128-R390 HydrophobicContact CE2-CG 4.33Å; I360-R390 WeakPolarHBondContact CD1-O 3.48Å; L386-R390 HydrophobicContact CD1-CB 4.21Å; L386-R390 HydrophobicContact CD1-CG 4.26Å; N387-R390 PolarHBondContact O-N 3.24Å; N387-R390 WeakPolarHBondContact OD1-CA 3.46Å; N387-R390 PolarHBondContact OD1-N 3.06Å; I388-R390 VanDerWaalsContact C-N 3.32Å
391E80.1Confident81.7Confident38 Ų3859.4 Ų59.418%0.17830%0.299CS..SBendtrans-101.1-19.3177.1-63.7178.7163.100111.8S33 I37 N387 S389S33-E391 PolarHBondContact OG-OE2 2.95Å; I37-E391 VanDerWaalsContact CG2-OE1 3.31Å; I37-E391 WeakPolarHBondContact CG2-OE1 3.44Å; N387-E391 PolarHBondContact OD1-N 2.87Å; N387-E391 VanDerWaalsContact OD1-N 3.12Å; S389-E391 PolarHBondContact O-N 2.86Å; S389-E391 VanDerWaalsContact O-N 3.15Å; S389-E391 WeakPolarHBondContact OG-CB 3.42Å; S389-E391 PolarHBondContact OG-N 3.2Å
392M77.3Confident81.8Confident127 Ų12759.4 Ų59.463%0.62630%0.299SS*.SBendtrans-135.7152.7-178.5-66.6-175.5154.900111.7N387N387-M392 WeakPolarHBondContact CB-O 3.47Å; N387-M392 PolarHBondContact N-O 2.8Å; N387-M392 PolarHBondContact OD1-N 2.73Å; N387-M392 VanDerWaalsContact OD1-N 3.15Å; N387-M392 PolarHBondContact OD1-O 3.15Å
393L79Confident82.3Confident24 Ų2461.2 Ų61.213%0.12630%0.303CS..BIsolated β-bridgetrans-83.6138.5171-71.4165.8000110L353 M361 L384 L386 Q395 L399L353-L393 HydrophobicContact CD2-CD1 3.64Å; L353-L393 HydrophobicContact CD2-CG 4.29Å; M361-L393 HydrophobicContact CE-CB 4.48Å; M361-L393 HydrophobicContact CE-CD1 4.33Å; M361-L393 HydrophobicContact CE-CG 4.03Å; L384-L393 HydrophobicContact CB-CD2 3.66Å; L384-L393 HydrophobicContact CD1-CD1 4.45Å; L384-L393 HydrophobicContact CD1-CD2 3.87Å; L384-L393 HydrophobicContact CG-CD2 4.21Å; L386-L393 HydrophobicContact CD2-CD2 3.94Å; L393-Q395 VanDerWaalsContact C-N 3.31Å; L393-Q395 PolarHBondContact O-N 2.9Å; L393-L399 HydrophobicContact CD1-CD1 3.98Å; L393-L399 HydrophobicContact CD1-CD2 3.41Å; L393-L399 VanDerWaalsContact CD1-CD2 3.41Å; L393-L399 HydrophobicContact CD1-CG 3.64Å
394Q74.4Confident83.1Confident122 Ų12262.3 Ų62.357%0.5730%0.302SS*.SBendtrans-71.2-27.4178.3-61.5-174.49.200112.7P385 L386 N387P385-Q394 PolarHBondContact O-N 2.89Å; L386-Q394 PolarHBondContact O-NE2 3.42Å; N387-Q394 HydrophobicContact CB-CG 4.11Å
395Q73.8Confident83.7Confident108 Ų10863.9 Ų63.951%0.50531%0.311SS..  trans-124.5106.6-172.8-63.1-172.22.300112.6P385 L393 K397 I398P385-Q395 HydrophobicContact CG-CG 4.47Å; L393-Q395 VanDerWaalsContact C-N 3.31Å; L393-Q395 PolarHBondContact O-N 2.9Å; Q395-K397 PolarHBondContact O-N 3.43Å; Q395-I398 HydrophobicContact CB-CD1 4.21Å; Q395-I398 HydrophobicContact CB-CG1 4.43Å; Q395-I398 PolarHBondContact O-N 3.02Å
396S72.7Confident84.3Confident59 Ų5961.9 Ų61.941%0.41330%0.298SS..Hα-helixtrans-65.1-20.417759.80000114.3E366 I398 L399 K400E366-S396 WeakPolarHBondContact OE2-CB 3.14Å; S396-I398 PolarHBondContact O-N 3.13Å; S396-L399 WeakPolarHBondContact O-CB 3.44Å; S396-L399 PolarHBondContact O-N 3.01Å; S396-K400 PolarHBondContact O-N 3.39Å
397K84.3Confident85.1Confident163 Ų16361.7 Ų61.771%0.70930%0.297SS*.Hα-helixtrans-61.4-33.6178.3-70.4-177.3-178.3175.50112.6Q395 K400 V401Q395-K397 PolarHBondContact O-N 3.43Å; K397-K400 PolarHBondContact O-N 2.96Å; K397-V401 PolarHBondContact O-N 3.32Å
398I85.9Confident85.8Confident28 Ų2864.9 Ų64.914%0.14431%0.309CS..Hα-helixtrans-66-43.1179.6-63.3172.7000110.2L325 L384 P385 Q395 S396 K400 V401 I402L325-I398 HydrophobicContact CD1-CG2 3.68Å; L325-I398 HydrophobicContact CD2-CG2 3.76Å; L325-I398 HydrophobicContact CG-CG2 4.37Å; L384-I398 HydrophobicContact CD2-CG2 3.52Å; P385-I398 VanDerWaalsContact CD-CD1 3.45Å; P385-I398 HydrophobicContact CG-CD1 3.52Å; Q395-I398 HydrophobicContact CB-CD1 4.21Å; Q395-I398 HydrophobicContact CB-CG1 4.43Å; Q395-I398 PolarHBondContact O-N 3.02Å; S396-I398 PolarHBondContact O-N 3.13Å; I398-K400 PolarHBondContact O-N 3.08Å; I398-V401 WeakPolarHBondContact O-CA 3.24Å; I398-V401 WeakPolarHBondContact O-CB 3.44Å; I398-V401 PolarHBondContact O-N 3.02Å; I398-I402 HydrophobicContact CG2-CD1 4.06Å; I398-I402 HydrophobicContact CG2-CG1 4.38Å; I398-I402 WeakPolarHBondContact O-CG1 3.36Å; I398-I402 PolarHBondContact O-N 3.17Å
399L86.8Confident86.7Confident12 Ų1263.9 Ų63.96%0.06330%0.302CS..Hα-helixtrans-56.9-38.4175.9-69.6174000112.4L353 E366 L367 L393 S396 V401 I402 R403L353-L399 HydrophobicContact CD2-CD2 4.48Å; E366-L399 HydrophobicContact CB-CB 4.3Å; E366-L399 HydrophobicContact CB-CD1 4.31Å; L367-L399 HydrophobicContact CD1-CD2 4.29Å; L393-L399 HydrophobicContact CD1-CD1 3.98Å; L393-L399 HydrophobicContact CD1-CD2 3.41Å; L393-L399 VanDerWaalsContact CD1-CD2 3.41Å; L393-L399 HydrophobicContact CD1-CG 3.64Å; S396-L399 WeakPolarHBondContact O-CB 3.44Å; S396-L399 PolarHBondContact O-N 3.01Å; L399-V401 VanDerWaalsContact C-N 3.31Å; L399-V401 PolarHBondContact O-N 2.77Å; L399-I402 PolarHBondContact O-N 3.26Å; L399-R403 VanDerWaalsContact O-CB 3.31Å; L399-R403 WeakPolarHBondContact O-CB 3.46Å; L399-R403 PolarHBondContact O-N 2.81Å
400K88.8Confident87.6Confident118 Ų11863.5 Ų63.551%0.51330%0.3SS..Hα-helixtrans-64.6-33.9175.6-65.3-179.7-179.4176.80112.9S396 K397 I398 K404S396-K400 PolarHBondContact O-N 3.39Å; K397-K400 PolarHBondContact O-N 2.96Å; I398-K400 PolarHBondContact O-N 3.08Å; K400-K404 WeakPolarHBondContact O-CG 3.17Å; K400-K404 PolarHBondContact O-N 3.21Å; K400-K404 VanDerWaalsContact O-N 3.16Å
401V91.1Very high88.4Confident73 Ų7363.1 Ų63.144%0.44230%0.298SS..Hα-helixtrans-70.9-46.6175.7178.30000110.1L325 K397 I398 L399 R403 K404 N405L325-V401 HydrophobicContact CD2-CB 4.38Å; L325-V401 HydrophobicContact CD2-CG1 4.16Å; K397-V401 PolarHBondContact O-N 3.32Å; I398-V401 WeakPolarHBondContact O-CA 3.24Å; I398-V401 WeakPolarHBondContact O-CB 3.44Å; I398-V401 PolarHBondContact O-N 3.02Å; L399-V401 VanDerWaalsContact C-N 3.31Å; L399-V401 PolarHBondContact O-N 2.77Å; V401-R403 VanDerWaalsContact C-N 3.32Å; V401-R403 PolarHBondContact O-N 2.68Å; V401-K404 PolarHBondContact O-N 2.95Å; V401-N405 PolarHBondContact O-N 3.01Å
402I92.6Very high89.2Confident0 Ų063.8 Ų63.80%030%0.302CS..Hα-helixtrans-57.6-47.6175.5-59.5173.8000110L325 F327 L367 V379 I398 L399 K404 N405 I406L325-I402 HydrophobicContact CD2-CD1 4.19Å; L325-I402 HydrophobicContact CD2-CG1 3.51Å; F327-I402 HydrophobicContact CD1-CG1 4.34Å; F327-I402 HydrophobicContact CE1-CG1 4.09Å; F327-I402 HydrophobicContact CE1-CG2 4.35Å; F327-I402 HydrophobicContact CE2-CG2 4.14Å; F327-I402 HydrophobicContact CZ-CB 4.49Å; F327-I402 HydrophobicContact CZ-CG2 3.95Å; L367-I402 HydrophobicContact CD1-CB 3.93Å; L367-I402 HydrophobicContact CD1-CG2 3.42Å; L367-I402 VanDerWaalsContact CD1-CG2 3.42Å; V379-I402 HydrophobicContact CG1-CG2 4.11Å; I398-I402 HydrophobicContact CG2-CD1 4.06Å; I398-I402 HydrophobicContact CG2-CG1 4.38Å; I398-I402 WeakPolarHBondContact O-CG1 3.36Å; I398-I402 PolarHBondContact O-N 3.17Å; L399-I402 PolarHBondContact O-N 3.26Å; I402-K404 VanDerWaalsContact C-N 3.33Å; I402-K404 PolarHBondContact O-N 3.5Å; I402-N405 PolarHBondContact O-N 3.36Å; I402-N405 VanDerWaalsContact O-N 3.08Å; I402-I406 HydrophobicContact CG2-CD1 3.66Å; I402-I406 HydrophobicContact CG2-CG1 4.16Å; I402-I406 WeakPolarHBondContact O-CG1 3.3Å; I402-I406 PolarHBondContact O-N 3.44Å
403R93.8Very high90.2Very high93 Ų9358.1 Ų58.135%0.35127%0.274SS..Hα-helixtrans-54-46.3176.6174.8169163.4-176.51.4112.6E366 L367 L399 V401 N405 I406 V407E366-R403 WeakPolarHBondContact O-CD 3.42Å; L367-R403 VanDerWaalsContact O-CA 3.24Å; L367-R403 WeakPolarHBondContact O-CA 3.37Å; L367-R403 WeakPolarHBondContact O-CB 3.23Å; L367-R403 WeakPolarHBondContact O-CG 3.14Å; L399-R403 VanDerWaalsContact O-CB 3.31Å; L399-R403 WeakPolarHBondContact O-CB 3.46Å; L399-R403 PolarHBondContact O-N 2.81Å; V401-R403 VanDerWaalsContact C-N 3.32Å; V401-R403 PolarHBondContact O-N 2.68Å; R403-N405 VanDerWaalsContact C-N 3.3Å; R403-N405 PolarHBondContact O-N 2.87Å; R403-I406 PolarHBondContact O-N 2.96Å; R403-V407 HydrophobicContact CG-CG2 4.23Å; R403-V407 WeakPolarHBondContact O-CB 3.38Å; R403-V407 VanDerWaalsContact O-CG2 3.24Å; R403-V407 WeakPolarHBondContact O-CG2 3.42Å; R403-V407 PolarHBondContact O-N 3.01Å
404K94.3Very high91.1Very high142 Ų14257 Ų5762%0.61727%0.268SS*.Hα-helixtrans-59.8-41.8178.2-77.7178.5177.2-176.60112K400 V401 I402 K408K400-K404 WeakPolarHBondContact O-CG 3.17Å; K400-K404 PolarHBondContact O-N 3.21Å; K400-K404 VanDerWaalsContact O-N 3.16Å; V401-K404 PolarHBondContact O-N 2.95Å; I402-K404 VanDerWaalsContact C-N 3.33Å; I402-K404 PolarHBondContact O-N 3.5Å; K404-K408 WeakPolarHBondContact O-CB 3.36Å; K404-K408 PolarHBondContact O-N 3.35Å
405N95.6Very high92.2Very high45 Ų4553.6 Ų53.624%0.24126%0.261CS..Hα-helixtrans-69-43.5178.1-73.7-33.2000112V321 F327 V401 I402 R403 K408 K409V321-N405 HydrophobicContact CG2-CB 4.26Å; F327-N405 HydrophobicContact CZ-CB 3.91Å; V401-N405 PolarHBondContact O-N 3.01Å; I402-N405 PolarHBondContact O-N 3.36Å; I402-N405 VanDerWaalsContact O-N 3.08Å; R403-N405 VanDerWaalsContact C-N 3.3Å; R403-N405 PolarHBondContact O-N 2.87Å; N405-K408 PolarHBondContact O-N 2.97Å; N405-K409 WeakPolarHBondContact O-CB 3.13Å; N405-K409 WeakPolarHBondContact O-CG 3.34Å; N405-K409 PolarHBondContact O-N 3.36Å
406I96.2Very high93.3Very high0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-58.4-51174.6-70.1172.5000110.5F319 L331 I351 L367 I368 V379 I402 R403 K408 K409 C410F319-I406 HydrophobicContact CZ-CG1 4.26Å; L331-I406 HydrophobicContact CD1-CG2 3.89Å; L331-I406 HydrophobicContact CD2-CG2 4.34Å; I351-I406 HydrophobicContact CD1-CD1 4.45Å; I351-I406 HydrophobicContact CD1-CG2 4.29Å; L367-I406 HydrophobicContact CD1-CD1 3.72Å; L367-I406 HydrophobicContact CD2-CD1 4.37Å; L367-I406 HydrophobicContact CG-CD1 3.75Å; I368-I406 HydrophobicContact CG2-CG2 3.8Å; V379-I406 HydrophobicContact CG2-CD1 3.8Å; I402-I406 HydrophobicContact CG2-CD1 3.66Å; I402-I406 HydrophobicContact CG2-CG1 4.16Å; I402-I406 WeakPolarHBondContact O-CG1 3.3Å; I402-I406 PolarHBondContact O-N 3.44Å; R403-I406 PolarHBondContact O-N 2.96Å; I406-K408 VanDerWaalsContact C-N 3.32Å; I406-K408 PolarHBondContact O-N 3.42Å; I406-K409 PolarHBondContact O-N 3.42Å; I406-K409 VanDerWaalsContact O-N 3.13Å; I406-C410 PolarHBondContact O-N 3.04Å; I406-C410 PolarHBondContact O-SG 3.36Å; I406-C410 VanDerWaalsContact O-SG 3.34Å
407V97.6Very high94.4Very high8 Ų850.4 Ų50.45%0.04824%0.24CC..Hα-helixtrans-57.7-46.3179171.20000110.7P369 Y371 L372 R403 K409 C410 L411 N445P369-V407 HydrophobicContact CG-CG2 3.8Å; Y371-V407 WeakPolarHBondContact OH-CG1 3.44Å; L372-V407 HydrophobicContact CD1-CB 4.45Å; L372-V407 HydrophobicContact CD1-CG2 3.92Å; R403-V407 HydrophobicContact CG-CG2 4.23Å; R403-V407 WeakPolarHBondContact O-CB 3.38Å; R403-V407 VanDerWaalsContact O-CG2 3.24Å; R403-V407 WeakPolarHBondContact O-CG2 3.42Å; R403-V407 PolarHBondContact O-N 3.01Å; V407-K409 VanDerWaalsContact C-N 3.33Å; V407-K409 PolarHBondContact O-N 3.1Å; V407-C410 PolarHBondContact O-N 3.14Å; V407-L411 HydrophobicContact CG1-CD1 4.06Å; V407-L411 HydrophobicContact CG1-CG 4.47Å; V407-L411 VanDerWaalsContact O-CG 3.3Å; V407-L411 WeakPolarHBondContact O-CG 3.34Å; V407-L411 PolarHBondContact O-N 2.74Å; V407-N445 WeakPolarHBondContact CG1-ND2 3.39Å
408K97.4Very high95Very high104 Ų10444 Ų4445%0.45222%0.217SC..Hα-helixtrans-56.9-47176.9-177.7-177.4174.5-173.30111.4K404 N405 I406 L411 E412K404-K408 WeakPolarHBondContact O-CB 3.36Å; K404-K408 PolarHBondContact O-N 3.35Å; N405-K408 PolarHBondContact O-N 2.97Å; I406-K408 VanDerWaalsContact C-N 3.32Å; I406-K408 PolarHBondContact O-N 3.42Å; K408-L411 PolarHBondContact O-N 3.02Å; K408-E412 WeakPolarHBondContact CE-OE1 3.2Å; K408-E412 WeakPolarHBondContact CG-OE1 3.41Å; K408-E412 WeakPolarHBondContact O-CG 3.47Å; K408-E412 PolarHBondContact O-N 3.01Å
409K97.9Very high95.4Very high54 Ų5451 Ų5124%0.23525%0.249CC..Hα-helixtrans-70.9-33.9-178.3-69.7-75.3165.7-159.50113.2F319 N405 I406 V407 E412 L413F319-K409 HydrophobicContact CB-CD 4Å; F319-K409 HydrophobicContact CB-CG 4.47Å; F319-K409 HydrophobicContact CD1-CB 3.97Å; F319-K409 HydrophobicContact CD1-CD 4.17Å; F319-K409 HydrophobicContact CD1-CG 3.86Å; F319-K409 HydrophobicContact CD2-CD 4.16Å; F319-K409 HydrophobicContact CD2-CG 3.79Å; F319-K409 HydrophobicContact CE1-CB 3.81Å; F319-K409 HydrophobicContact CE1-CG 3.94Å; F319-K409 HydrophobicContact CE2-CG 3.87Å; F319-K409 HydrophobicContact CG-CB 4.4Å; F319-K409 HydrophobicContact CG-CD 3.85Å; F319-K409 HydrophobicContact CG-CG 3.77Å; F319-K409 HydrophobicContact CZ-CB 4.1Å; F319-K409 HydrophobicContact CZ-CG 3.94Å; N405-K409 WeakPolarHBondContact O-CB 3.13Å; N405-K409 WeakPolarHBondContact O-CG 3.34Å; N405-K409 PolarHBondContact O-N 3.36Å; I406-K409 PolarHBondContact O-N 3.42Å; I406-K409 VanDerWaalsContact O-N 3.13Å; V407-K409 VanDerWaalsContact C-N 3.33Å; V407-K409 PolarHBondContact O-N 3.1Å; K409-E412 WeakPolarHBondContact CD-OE2 3.25Å; K409-E412 WeakPolarHBondContact CE-OE2 3.32Å; K409-E412 IonicContact NZ-OE1 3.95Å; K409-E412 IonicContact NZ-OE2 2.77Å; K409-E412 PolarHBondContact NZ-OE2 3.11Å; K409-L413 WeakPolarHBondContact O-CB 3.46Å; K409-L413 PolarHBondContact O-N 2.79Å
410C98.1Very high95.8Very high0 Ų053.6 Ų53.60%026%0.263CS..Hα-helixtrans-62.5-45.5170.4-71.40000111.6L372 I406 V407 L413 F414L372-C410 HydrophobicContact CD1-CB 4.01Å; L372-C410 HydrophobicContact CD2-CB 4.47Å; I406-C410 PolarHBondContact O-N 3.04Å; I406-C410 PolarHBondContact O-SG 3.36Å; I406-C410 VanDerWaalsContact O-SG 3.34Å; V407-C410 PolarHBondContact O-N 3.14Å; C410-L413 WeakPolarHBondContact O-CB 3.3Å; C410-L413 PolarHBondContact O-N 2.75Å; C410-F414 HydrophobicContact CB-CE2 4.2Å; C410-F414 HydrophobicContact CB-CZ 4.16Å; C410-F414 WeakPolarHBondContact O-CD1 3.32Å; C410-F414 WeakPolarHBondContact O-CD2 3.45Å; C410-F414 WeakPolarHBondContact O-CG 3.36Å; C410-F414 PolarHBondContact O-N 2.98Å
411L98.1Very high96Very high7 Ų754.2 Ų54.24%0.03727%0.266CS..Hα-helixtrans-66.8-37.6179.3-65.2174.2000112.2V407 K408 F414 A415 N445 K448 L449V407-L411 HydrophobicContact CG1-CD1 4.06Å; V407-L411 HydrophobicContact CG1-CG 4.47Å; V407-L411 VanDerWaalsContact O-CG 3.3Å; V407-L411 WeakPolarHBondContact O-CG 3.34Å; V407-L411 PolarHBondContact O-N 2.74Å; K408-L411 PolarHBondContact O-N 3.02Å; L411-F414 HydrophobicContact CD2-CD2 4.11Å; L411-F414 HydrophobicContact CD2-CE2 4.49Å; L411-F414 PolarHBondContact O-N 3.35Å; L411-A415 PolarHBondContact O-N 3.37Å; L411-N445 HydrophobicContact CD1-CB 3.7Å; L411-K448 HydrophobicContact CD1-CB 4.4Å; L411-K448 HydrophobicContact CD1-CD 4.14Å; L411-L449 HydrophobicContact CD2-CD2 3.51Å; L411-L449 HydrophobicContact CD2-CG 4.02Å
412E98.1Very high96.2Very high53 Ų5356.4 Ų56.425%0.24828%0.275CS..Hα-helixtrans-59.5-46.7170.2-73.8169.8-164.800110.7K408 K409 F414 A415 E416K408-E412 WeakPolarHBondContact CE-OE1 3.2Å; K408-E412 WeakPolarHBondContact CG-OE1 3.41Å; K408-E412 WeakPolarHBondContact O-CG 3.47Å; K408-E412 PolarHBondContact O-N 3.01Å; K409-E412 WeakPolarHBondContact CD-OE2 3.25Å; K409-E412 WeakPolarHBondContact CE-OE2 3.32Å; K409-E412 IonicContact NZ-OE1 3.95Å; K409-E412 IonicContact NZ-OE2 2.77Å; K409-E412 PolarHBondContact NZ-OE2 3.11Å; E412-F414 VanDerWaalsContact C-N 3.34Å; E412-F414 PolarHBondContact O-N 3.39Å; E412-A415 WeakPolarHBondContact O-CB 3.4Å; E412-A415 PolarHBondContact O-N 3.33Å; E412-E416 WeakPolarHBondContact O-CG 3Å; E412-E416 PolarHBondContact O-N 3.48Å
413L98.2Very high96.3Very high8 Ų858.4 Ų58.44%0.04229%0.286CS..Hα-helixtrans-61.4-39.9176.8-179.769.1000112.4A315 K317 I333 K409 C410 A415 E416 L417A315-L413 HydrophobicContact CB-CD1 4.15Å; A315-L413 HydrophobicContact CB-CD2 4.32Å; A315-L413 HydrophobicContact CB-CG 4.46Å; K317-L413 HydrophobicContact CB-CB 4.26Å; K317-L413 HydrophobicContact CB-CD1 4.14Å; K317-L413 HydrophobicContact CB-CD2 4.01Å; K317-L413 HydrophobicContact CB-CG 4.36Å; K317-L413 HydrophobicContact CD-CB 4.36Å; K317-L413 HydrophobicContact CD-CD1 4.21Å; K317-L413 HydrophobicContact CG-CB 4.42Å; I333-L413 HydrophobicContact CD1-CD2 4.01Å; I333-L413 HydrophobicContact CG1-CD2 3.55Å; K409-L413 WeakPolarHBondContact O-CB 3.46Å; K409-L413 PolarHBondContact O-N 2.79Å; C410-L413 WeakPolarHBondContact O-CB 3.3Å; C410-L413 PolarHBondContact O-N 2.75Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.33Å; L413-E416 PolarHBondContact O-N 3.21Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.5Å; L413-L417 PolarHBondContact O-N 3.08Å
414F98.3Very high96.5Very high0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-68.2-32.7177.2-58.3-27.3000112.7I333 L372 F374 C410 L411 E412 A418 F427 I435 L452I333-F414 HydrophobicContact CD1-CE1 3.64Å; I333-F414 HydrophobicContact CD1-CZ 4.32Å; I333-F414 HydrophobicContact CG1-CE1 4.16Å; L372-F414 HydrophobicContact CD2-CE2 3.66Å; L372-F414 HydrophobicContact CD2-CZ 3.81Å; F374-F414 HydrophobicContact CE2-CE1 4.3Å; F374-F414 HydrophobicContact CE2-CZ 4.17Å; F374-F414 HydrophobicContact CZ-CE1 4.14Å; F374-F414 HydrophobicContact CZ-CE2 4.47Å; F374-F414 AromaticContact CZ-CZ 3.62Å; F374-F414 HydrophobicContact CZ-CZ 3.62Å; C410-F414 HydrophobicContact CB-CE2 4.2Å; C410-F414 HydrophobicContact CB-CZ 4.16Å; C410-F414 WeakPolarHBondContact O-CD1 3.32Å; C410-F414 WeakPolarHBondContact O-CD2 3.45Å; C410-F414 WeakPolarHBondContact O-CG 3.36Å; C410-F414 PolarHBondContact O-N 2.98Å; L411-F414 HydrophobicContact CD2-CD2 4.11Å; L411-F414 HydrophobicContact CD2-CE2 4.49Å; L411-F414 PolarHBondContact O-N 3.35Å; E412-F414 VanDerWaalsContact C-N 3.34Å; E412-F414 PolarHBondContact O-N 3.39Å; F414-A418 WeakPolarHBondContact O-CB 3.46Å; F414-A418 PolarHBondContact O-N 3.28Å; F414-F427 HydrophobicContact CD1-CE1 4.18Å; F414-F427 AromaticContact CD1-CE2 3.82Å; F414-F427 HydrophobicContact CD1-CE2 3.82Å; F414-F427 AromaticContact CD1-CZ 3.44Å; F414-F427 HydrophobicContact CD1-CZ 3.44Å; F414-F427 VanDerWaalsContact CD1-CZ 3.44Å; F414-F427 HydrophobicContact CD2-CZ 4.3Å; F414-F427 AromaticContact CE1-CE2 3.63Å; F414-F427 HydrophobicContact CE1-CE2 3.63Å; F414-F427 AromaticContact CE1-CZ 3.56Å; F414-F427 HydrophobicContact CE1-CZ 3.56Å; F414-F427 HydrophobicContact CE2-CZ 4.4Å; F414-F427 HydrophobicContact CG-CE1 4.34Å; F414-F427 AromaticContact CG-CZ 3.86Å; F414-F427 HydrophobicContact CG-CZ 3.86Å; F414-F427 HydrophobicContact CZ-CE2 4.34Å; F414-F427 HydrophobicContact CZ-CZ 4.07Å; F414-I435 HydrophobicContact CD2-CD1 4.18Å; F414-I435 HydrophobicContact CE2-CD1 4.13Å; F414-L452 HydrophobicContact CB-CD1 3.62Å; F414-L452 HydrophobicContact CB-CD2 4Å; F414-L452 HydrophobicContact CB-CG 4.49Å; F414-L452 HydrophobicContact CD2-CD1 3.92Å; F414-L452 HydrophobicContact CG-CD1 4.22Å
415A97.1Very high96.6Very high50 Ų5054.7 Ų54.741%0.41327%0.272SS..Hα-helixtrans-68.8-45174.200000111.1L411 E412 L413 L417 A418L411-A415 PolarHBondContact O-N 3.37Å; E412-A415 WeakPolarHBondContact O-CB 3.4Å; E412-A415 PolarHBondContact O-N 3.33Å; L413-A415 VanDerWaalsContact C-N 3.32Å; L413-A415 PolarHBondContact O-N 3.33Å; A415-L417 VanDerWaalsContact C-N 3.32Å; A415-L417 PolarHBondContact O-N 3.15Å; A415-A418 WeakPolarHBondContact O-CB 3.48Å; A415-A418 PolarHBondContact O-N 3.25Å; A415-A418 VanDerWaalsContact O-N 3.1Å
416E96.8Very high96.6Very high86 Ų8657.6 Ų57.640%0.40228%0.283SS..Hα-helixtrans-59-44.4172.7-71.2164.2-167.500111K317 E412 L413 A418 E419K317-E416 IonicContact NZ-OE1 2.7Å; K317-E416 PolarHBondContact NZ-OE1 2.62Å; K317-E416 IonicContact NZ-OE2 2.91Å; K317-E416 PolarHBondContact NZ-OE2 2.71Å; E412-E416 WeakPolarHBondContact O-CG 3Å; E412-E416 PolarHBondContact O-N 3.48Å; L413-E416 PolarHBondContact O-N 3.21Å; E416-A418 PolarHBondContact O-N 2.98Å; E416-E419 WeakPolarHBondContact O-CB 3.1Å; E416-E419 PolarHBondContact O-N 3.39Å; E416-E419 VanDerWaalsContact O-N 3.11Å
417L96.4Very high96.6Very high14 Ų1457.6 Ų57.67%0.07328%0.283CS..Hα-helixtrans-63.2-30.3177.1-167.561.3000112.1L314 A315 L413 A415 E419 D420 N423 Y424 F427L314-L417 HydrophobicContact CD2-CD2 4.27Å; A315-L417 HydrophobicContact CB-CD1 4.28Å; L413-L417 VanDerWaalsContact O-CB 3.3Å; L413-L417 WeakPolarHBondContact O-CB 3.5Å; L413-L417 PolarHBondContact O-N 3.08Å; A415-L417 VanDerWaalsContact C-N 3.32Å; A415-L417 PolarHBondContact O-N 3.15Å; L417-E419 PolarHBondContact O-N 3.42Å; L417-D420 PolarHBondContact O-N 2.87Å; L417-D420 VanDerWaalsContact O-O 3.11Å; L417-N423 HydrophobicContact CD1-CB 3.89Å; L417-Y424 HydrophobicContact CB-CD2 4.4Å; L417-Y424 HydrophobicContact CG-CD2 4.26Å; L417-Y424 WeakPolarHBondContact O-CB 3.35Å; L417-F427 HydrophobicContact CD2-CB 3.57Å; L417-F427 HydrophobicContact CD2-CD1 4.13Å; L417-F427 HydrophobicContact CD2-CD2 3.91Å; L417-F427 HydrophobicContact CD2-CG 3.6Å
418A95.8Very high96.7Very high29 Ų2957.7 Ų57.724%0.2428%0.282CS..Hα-helixtrans-69.3-17.7177.600000113.7F414 A415 E416 D420 Y424 L452F414-A418 WeakPolarHBondContact O-CB 3.46Å; F414-A418 PolarHBondContact O-N 3.28Å; A415-A418 WeakPolarHBondContact O-CB 3.48Å; A415-A418 PolarHBondContact O-N 3.25Å; A415-A418 VanDerWaalsContact O-N 3.1Å; E416-A418 PolarHBondContact O-N 2.98Å; A418-D420 VanDerWaalsContact C-N 3.32Å; A418-Y424 HydrophobicContact CB-CD2 3.75Å; A418-Y424 HydrophobicContact CB-CE2 3.65Å; A418-Y424 HydrophobicContact CB-CG 4.26Å; A418-L452 HydrophobicContact CB-CD2 4.46Å
419E95.3Very high96.6Very high174 Ų17460 Ų6081%0.81330%0.295SS*.Hα-helixtrans-72.7-27.2172.3-58-178.8175.800111.6E416 L417E416-E419 WeakPolarHBondContact O-CB 3.1Å; E416-E419 PolarHBondContact O-N 3.39Å; E416-E419 VanDerWaalsContact O-N 3.11Å; L417-E419 PolarHBondContact O-N 3.42Å
420D94.8Very high96.5Very high68 Ų6858.6 Ų58.636%0.36430%0.296SS..SBendtrans-94.293.9172.4-177.9-20.5000110.6L417 A418 D422 N423 Y424L417-D420 PolarHBondContact O-N 2.87Å; L417-D420 VanDerWaalsContact O-O 3.11Å; A418-D420 VanDerWaalsContact C-N 3.32Å; D420-D422 PolarHBondContact O-N 3.18Å; D420-D422 VanDerWaalsContact O-N 3.16Å; D420-D422 PolarHBondContact OD1-N 2.88Å; D420-N423 HydrophobicContact CB-CB 4.41Å; D420-N423 PolarHBondContact O-N 3.2Å; D420-N423 PolarHBondContact OD1-N 3.22Å; D420-N423 VanDerWaalsContact OD1-N 3.09Å; D420-N423 PolarHBondContact OD2-ND2 2.96Å; D420-Y424 WeakPolarHBondContact O-CB 3.42Å; D420-Y424 PolarHBondContact O-N 2.92Å
421K92.8Very high96.5Very high130 Ų13058.6 Ų58.657%0.56530%0.296SS*.Hα-helixtrans-55.2-37-175.3-167.9179178.6-173.60113.2K425 E463K421-K425 WeakPolarHBondContact O-CB 3.49Å; K421-K425 PolarHBondContact O-N 3.29Å; K421-E463 IonicContact NZ-OE2 2.77Å; K421-E463 PolarHBondContact NZ-OE2 3.1Å
422D94.3Very high96.5Very high120 Ų12058.8 Ų58.864%0.64230%0.298SS*.Hα-helixtrans-75.9-45.4-174.6-74.6-21.6000111.8D420 K425 K426D420-D422 PolarHBondContact O-N 3.18Å; D420-D422 VanDerWaalsContact O-N 3.16Å; D420-D422 PolarHBondContact OD1-N 2.88Å; D422-K425 PolarHBondContact O-N 2.94Å; D422-K426 PolarHBondContact O-N 3.13Å
423N95.4Very high96.4Very high42 Ų4261.1 Ų61.123%0.22531%0.307CS..Hα-helixtrans-73.7-32.3176.1-74.5-39.7000111.9L314 L417 D420 K425 K426 F427L314-N423 HydrophobicContact CD1-CB 4.14Å; L417-N423 HydrophobicContact CD1-CB 3.89Å; D420-N423 HydrophobicContact CB-CB 4.41Å; D420-N423 PolarHBondContact O-N 3.2Å; D420-N423 PolarHBondContact OD1-N 3.22Å; D420-N423 VanDerWaalsContact OD1-N 3.09Å; D420-N423 PolarHBondContact OD2-ND2 2.96Å; N423-K425 VanDerWaalsContact C-N 3.32Å; N423-K425 PolarHBondContact O-N 3.3Å; N423-K426 PolarHBondContact O-N 2.86Å; N423-F427 PolarHBondContact O-N 2.98Å
424Y97.5Very high96.4Very high8 Ų861 Ų613%0.03131%0.306CS..Hα-helixtrans-62.7-39.2173.2-166.3-106000112.7L417 A418 D420 K426 F427 Y428 L452 R454L417-Y424 HydrophobicContact CB-CD2 4.4Å; L417-Y424 HydrophobicContact CG-CD2 4.26Å; L417-Y424 WeakPolarHBondContact O-CB 3.35Å; A418-Y424 HydrophobicContact CB-CD2 3.75Å; A418-Y424 HydrophobicContact CB-CE2 3.65Å; A418-Y424 HydrophobicContact CB-CG 4.26Å; D420-Y424 WeakPolarHBondContact O-CB 3.42Å; D420-Y424 PolarHBondContact O-N 2.92Å; Y424-K426 VanDerWaalsContact C-N 3.32Å; Y424-K426 PolarHBondContact O-N 3.05Å; Y424-F427 AromaticContact CD2-CD1 3.96Å; Y424-F427 HydrophobicContact CD2-CD1 3.96Å; Y424-F427 AromaticContact CE2-CD1 3.74Å; Y424-F427 HydrophobicContact CE2-CD1 3.74Å; Y424-F427 HydrophobicContact CE2-CE1 4.07Å; Y424-F427 WeakPolarHBondContact O-CB 3.46Å; Y424-F427 PolarHBondContact O-N 3.41Å; Y424-Y428 HydrophobicContact CE1-CD2 4.29Å; Y424-Y428 WeakPolarHBondContact O-CB 3.49Å; Y424-Y428 PolarHBondContact O-N 3.29Å; Y424-L452 HydrophobicContact CE2-CD2 4.26Å; Y424-L452 VanDerWaalsContact OH-C 3.27Å; Y424-L452 WeakPolarHBondContact OH-CA 3.36Å; Y424-L452 VanDerWaalsContact OH-CB 3.24Å; Y424-L452 WeakPolarHBondContact OH-CB 3.46Å; Y424-L452 PolarHBondContact OH-O 3.08Å; Y424-R454 HydrophobicContact CD1-CG 4.42Å; Y424-R454 HydrophobicContact CE1-CG 3.69Å; Y424-R454 VanDerWaalsContact CE1-CZ 3.45Å
425K95.8Very high96.4Very high149 Ų14961 Ų6165%0.64831%0.306SS*.Hα-helixtrans-58.6-45.7175.7-176179.5177.6-178.70111.1K421 D422 N423 Y428 E429K421-K425 WeakPolarHBondContact O-CB 3.49Å; K421-K425 PolarHBondContact O-N 3.29Å; D422-K425 PolarHBondContact O-N 2.94Å; N423-K425 VanDerWaalsContact C-N 3.32Å; N423-K425 PolarHBondContact O-N 3.3Å; K425-Y428 PolarHBondContact O-N 2.94Å; K425-E429 WeakPolarHBondContact O-CB 3.48Å; K425-E429 PolarHBondContact O-N 3.06Å
426K95.9Very high96.5Very high105 Ų10558.9 Ų58.946%0.45729%0.288SS..Hα-helixtrans-63-43.4176.5-63.6172.8-172.1164.80111.8D422 N423 Y424 E429 G430D422-K426 PolarHBondContact O-N 3.13Å; N423-K426 PolarHBondContact O-N 2.86Å; Y424-K426 VanDerWaalsContact C-N 3.32Å; Y424-K426 PolarHBondContact O-N 3.05Å; K426-E429 PolarHBondContact O-N 2.95Å; K426-G430 PolarHBondContact O-N 3.37Å; K426-G430 VanDerWaalsContact O-N 3.09Å
427F97.9Very high96.5Very high0 Ų056.4 Ų56.40%028%0.277CS..Hα-helixtrans-58.6-50.3174.6169.4-107.4000111.9L314 I333 F374 F414 L417 N423 Y424 E429 G430 F431 I435L314-F427 HydrophobicContact CD2-CB 3.68Å; L314-F427 HydrophobicContact CD2-CD2 4.47Å; I333-F427 HydrophobicContact CG2-CD2 3.75Å; I333-F427 HydrophobicContact CG2-CE2 3.96Å; F374-F427 AromaticContact CE2-CE2 3.92Å; F374-F427 HydrophobicContact CE2-CE2 3.92Å; F374-F427 HydrophobicContact CZ-CE2 4.07Å; F374-F427 HydrophobicContact CZ-CZ 4.4Å; F414-F427 HydrophobicContact CD1-CE1 4.18Å; F414-F427 AromaticContact CD1-CE2 3.82Å; F414-F427 HydrophobicContact CD1-CE2 3.82Å; F414-F427 AromaticContact CD1-CZ 3.44Å; F414-F427 HydrophobicContact CD1-CZ 3.44Å; F414-F427 VanDerWaalsContact CD1-CZ 3.44Å; F414-F427 HydrophobicContact CD2-CZ 4.3Å; F414-F427 AromaticContact CE1-CE2 3.63Å; F414-F427 HydrophobicContact CE1-CE2 3.63Å; F414-F427 AromaticContact CE1-CZ 3.56Å; F414-F427 HydrophobicContact CE1-CZ 3.56Å; F414-F427 HydrophobicContact CE2-CZ 4.4Å; F414-F427 HydrophobicContact CG-CE1 4.34Å; F414-F427 AromaticContact CG-CZ 3.86Å; F414-F427 HydrophobicContact CG-CZ 3.86Å; F414-F427 HydrophobicContact CZ-CE2 4.34Å; F414-F427 HydrophobicContact CZ-CZ 4.07Å; L417-F427 HydrophobicContact CD2-CB 3.57Å; L417-F427 HydrophobicContact CD2-CD1 4.13Å; L417-F427 HydrophobicContact CD2-CD2 3.91Å; L417-F427 HydrophobicContact CD2-CG 3.6Å; N423-F427 PolarHBondContact O-N 2.98Å; Y424-F427 AromaticContact CD2-CD1 3.96Å; Y424-F427 HydrophobicContact CD2-CD1 3.96Å; Y424-F427 AromaticContact CE2-CD1 3.74Å; Y424-F427 HydrophobicContact CE2-CD1 3.74Å; Y424-F427 HydrophobicContact CE2-CE1 4.07Å; Y424-F427 WeakPolarHBondContact O-CB 3.46Å; Y424-F427 PolarHBondContact O-N 3.41Å; F427-E429 VanDerWaalsContact C-N 3.34Å; F427-E429 PolarHBondContact O-N 3.24Å; F427-G430 PolarHBondContact O-N 3.2Å; F427-F431 HydrophobicContact CD2-CB 4.45Å; F427-F431 AromaticContact CD2-CD2 3.62Å; F427-F431 HydrophobicContact CD2-CD2 3.62Å; F427-F431 HydrophobicContact CD2-CE2 4.4Å; F427-F431 HydrophobicContact CD2-CG 4.44Å; F427-F431 HydrophobicContact CE2-CB 4.14Å; F427-F431 AromaticContact CE2-CD2 3.9Å; F427-F431 HydrophobicContact CE2-CD2 3.9Å; F427-F431 HydrophobicContact CE2-CG 4.32Å; F427-F431 HydrophobicContact CG-CD2 4.5Å; F427-F431 VanDerWaalsContact O-CD2 3.31Å; F427-F431 WeakPolarHBondContact O-CD2 2.93Å; F427-F431 PolarHBondContact O-N 2.94Å; F427-I435 HydrophobicContact CE1-CD1 4.35Å; F427-I435 HydrophobicContact CE1-CG1 4.35Å; F427-I435 HydrophobicContact CZ-CD1 4.05Å; F427-I435 HydrophobicContact CZ-CG1 4.38Å
428Y97.7Very high96.6Very high10 Ų1055.8 Ų55.84%0.03927%0.274CS..Hα-helixtrans-66.3-39.3-176.9-161.5-100.3000111.1Y424 K425 G430 F431 S432 K436 L452 R454 M464Y424-Y428 HydrophobicContact CE1-CD2 4.29Å; Y424-Y428 WeakPolarHBondContact O-CB 3.49Å; Y424-Y428 PolarHBondContact O-N 3.29Å; K425-Y428 PolarHBondContact O-N 2.94Å; Y428-G430 VanDerWaalsContact C-N 3.33Å; Y428-G430 PolarHBondContact O-N 2.97Å; Y428-F431 PolarHBondContact O-N 3.48Å; Y428-S432 WeakPolarHBondContact O-CA 3.44Å; Y428-S432 WeakPolarHBondContact O-CB 3.45Å; Y428-S432 PolarHBondContact O-N 2.76Å; Y428-S432 PolarHBondContact O-OG 2.85Å; Y428-K436 WeakPolarHBondContact OH-CE 3.35Å; Y428-L452 WeakPolarHBondContact CE2-O 3.34Å; Y428-R454 HydrophobicContact CD1-CB 3.92Å; Y428-R454 HydrophobicContact CD1-CG 4.4Å; Y428-R454 HydrophobicContact CD2-CG 4.32Å; Y428-R454 HydrophobicContact CE1-CB 3.67Å; Y428-R454 HydrophobicContact CE1-CG 4.47Å; Y428-R454 WeakPolarHBondContact CE1-O 3.33Å; Y428-R454 HydrophobicContact CE2-CB 4.32Å; Y428-R454 HydrophobicContact CE2-CG 4.41Å; Y428-R454 HydrophobicContact CG-CB 4.33Å; Y428-R454 HydrophobicContact CG-CG 4.33Å; Y428-R454 VanDerWaalsContact CZ-N 3.34Å; Y428-R454 PolarHBondContact OH-N 3.35Å; Y428-R454 VanDerWaalsContact OH-N 3.14Å; Y428-R454 PolarHBondContact OH-O 2.99Å; Y428-M464 HydrophobicContact CD1-SD 4.08Å; Y428-M464 HydrophobicContact CE1-SD 4.11Å
429E95.3Very high96.7Very high153 Ų15354.4 Ų54.472%0.71526%0.262SS*.Hα-helixtrans-60.8-41174.4-173.6175.3-178.100112.4K425 K426 F427K425-E429 WeakPolarHBondContact O-CB 3.48Å; K425-E429 PolarHBondContact O-N 3.06Å; K426-E429 PolarHBondContact O-N 2.95Å; F427-E429 VanDerWaalsContact C-N 3.34Å; F427-E429 PolarHBondContact O-N 3.24Å
430G96.2Very high96.7Very high25 Ų2549.1 Ų49.126%0.25824%0.238SC..Hα-helixtrans-73.8-36.5177.300000114.3A337 K426 F427 Y428A337-G430 WeakPolarHBondContact CB-O 3.5Å; K426-G430 PolarHBondContact O-N 3.37Å; K426-G430 VanDerWaalsContact O-N 3.09Å; F427-G430 PolarHBondContact O-N 3.2Å; Y428-G430 VanDerWaalsContact C-N 3.33Å; Y428-G430 PolarHBondContact O-N 2.97Å
431F98.1Very high96.8Very high0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-130.712.7-163.4-52.7-70.1000115I333 P334 A337 L341 F374 F427 Y428 K433 N434 I435I333-F431 HydrophobicContact CG2-CD2 4.43Å; I333-F431 HydrophobicContact CG2-CE2 4.12Å; P334-F431 HydrophobicContact CB-CZ 4.47Å; P334-F431 HydrophobicContact CG-CE1 4.33Å; P334-F431 HydrophobicContact CG-CZ 3.75Å; P334-F431 VanDerWaalsContact O-CE2 3.31Å; P334-F431 WeakPolarHBondContact O-CE2 3.47Å; A337-F431 HydrophobicContact CB-CD1 4.37Å; A337-F431 HydrophobicContact CB-CE1 3.81Å; A337-F431 HydrophobicContact CB-CZ 4.3Å; L341-F431 HydrophobicContact CD2-CD1 4.28Å; L341-F431 HydrophobicContact CD2-CE1 4.38Å; F374-F431 HydrophobicContact CB-CD1 3.74Å; F374-F431 HydrophobicContact CB-CE1 3.54Å; F374-F431 AromaticContact CD1-CD1 3.97Å; F374-F431 HydrophobicContact CD1-CD1 3.97Å; F374-F431 AromaticContact CD2-CD1 3.52Å; F374-F431 HydrophobicContact CD2-CD1 3.52Å; F374-F431 HydrophobicContact CD2-CD2 4.23Å; F374-F431 AromaticContact CD2-CE1 3.63Å; F374-F431 HydrophobicContact CD2-CE1 3.63Å; F374-F431 HydrophobicContact CD2-CE2 4.33Å; F374-F431 AromaticContact CD2-CG 3.85Å; F374-F431 HydrophobicContact CD2-CG 3.85Å; F374-F431 HydrophobicContact CD2-CZ 4.07Å; F374-F431 HydrophobicContact CE1-CB 4.42Å; F374-F431 HydrophobicContact CE1-CD1 4.44Å; F374-F431 HydrophobicContact CE2-CB 4.33Å; F374-F431 HydrophobicContact CE2-CD1 4.03Å; F374-F431 HydrophobicContact CE2-CD2 4.19Å; F374-F431 HydrophobicContact CE2-CE1 4.47Å; F374-F431 AromaticContact CE2-CG 3.9Å; F374-F431 HydrophobicContact CE2-CG 3.9Å; F374-F431 AromaticContact CG-CD1 3.46Å; F374-F431 HydrophobicContact CG-CD1 3.46Å; F374-F431 VanDerWaalsContact CG-CD1 3.46Å; F374-F431 AromaticContact CG-CE1 3.69Å; F374-F431 HydrophobicContact CG-CE1 3.69Å; F374-F431 HydrophobicContact CG-CG 4.17Å; F374-F431 HydrophobicContact CZ-CB 4.21Å; F374-F431 HydrophobicContact CZ-CD1 4.46Å; F374-F431 HydrophobicContact CZ-CG 4.26Å; F427-F431 HydrophobicContact CD2-CB 4.45Å; F427-F431 AromaticContact CD2-CD2 3.62Å; F427-F431 HydrophobicContact CD2-CD2 3.62Å; F427-F431 HydrophobicContact CD2-CE2 4.4Å; F427-F431 HydrophobicContact CD2-CG 4.44Å; F427-F431 HydrophobicContact CE2-CB 4.14Å; F427-F431 AromaticContact CE2-CD2 3.9Å; F427-F431 HydrophobicContact CE2-CD2 3.9Å; F427-F431 HydrophobicContact CE2-CG 4.32Å; F427-F431 HydrophobicContact CG-CD2 4.5Å; F427-F431 VanDerWaalsContact O-CD2 3.31Å; F427-F431 WeakPolarHBondContact O-CD2 2.93Å; F427-F431 PolarHBondContact O-N 2.94Å; Y428-F431 PolarHBondContact O-N 3.48Å; F431-K433 PolarHBondContact O-N 2.95Å; F431-N434 HydrophobicContact CB-CB 4.42Å; F431-N434 WeakPolarHBondContact O-CB 3.39Å; F431-N434 PolarHBondContact O-N 2.92Å; F431-I435 PolarHBondContact O-N 2.84Å; F431-I435 VanDerWaalsContact O-N 3.09Å
432S97.8Very high96.9Very high11 Ų1145.7 Ų45.78%0.07722%0.222CC..Hα-helixtrans-53.1-42.1177.158.50000112.4Y428 N434 I435 K436Y428-S432 WeakPolarHBondContact O-CA 3.44Å; Y428-S432 WeakPolarHBondContact O-CB 3.45Å; Y428-S432 PolarHBondContact O-N 2.76Å; Y428-S432 PolarHBondContact O-OG 2.85Å; S432-N434 VanDerWaalsContact C-N 3.3Å; S432-N434 PolarHBondContact O-N 3.39Å; S432-I435 PolarHBondContact O-N 3.22Å; S432-K436 WeakPolarHBondContact O-CB 3.47Å; S432-K436 VanDerWaalsContact O-CG 3.28Å; S432-K436 WeakPolarHBondContact O-CG 3.21Å; S432-K436 PolarHBondContact O-N 3.23Å
433K97.8Very high97Very high102 Ų10243.9 Ų43.944%0.44322%0.219SC..Hα-helixtrans-60.4-39.6178-67.8174.1-175.8163.70111.7F342 F431 K436 L437 E513 I515F342-K433 HydrophobicContact CE2-CB 4.27Å; F342-K433 HydrophobicContact CE2-CD 4.16Å; F342-K433 HydrophobicContact CZ-CB 3.76Å; F342-K433 HydrophobicContact CZ-CD 4.46Å; F431-K433 PolarHBondContact O-N 2.95Å; K433-K436 PolarHBondContact O-N 3.07Å; K433-L437 WeakPolarHBondContact O-CB 3.38Å; K433-L437 PolarHBondContact O-N 2.95Å; K433-E513 WeakPolarHBondContact CE-OE1 3.11Å; K433-I515 HydrophobicContact CG-CG2 4.49Å; K433-I515 WeakPolarHBondContact O-CD1 2.96Å
434N97.8Very high97.1Very high4 Ų449.5 Ų49.52%0.02124%0.244CC..Hα-helixtrans-65.5-44.9174.9-68.486.4000111.4L341 F342 Y371 F374 F431 S432 K436 L437 G438L341-N434 WeakPolarHBondContact CD2-OD1 3.3Å; F342-N434 WeakPolarHBondContact CZ-OD1 3.23Å; Y371-N434 WeakPolarHBondContact CB-O 3.48Å; Y371-N434 WeakPolarHBondContact O-CB 3.27Å; Y371-N434 PolarHBondContact O-ND2 3.34Å; F374-N434 HydrophobicContact CD1-CB 3.89Å; F374-N434 HydrophobicContact CE1-CB 3.68Å; F431-N434 HydrophobicContact CB-CB 4.42Å; F431-N434 WeakPolarHBondContact O-CB 3.39Å; F431-N434 PolarHBondContact O-N 2.92Å; S432-N434 VanDerWaalsContact C-N 3.3Å; S432-N434 PolarHBondContact O-N 3.39Å; N434-K436 VanDerWaalsContact C-N 3.34Å; N434-K436 PolarHBondContact O-N 3.35Å; N434-L437 PolarHBondContact O-N 3.13Å; N434-G438 PolarHBondContact O-N 3.36Å
435I98.4Very high97.1Very high0 Ų050.6 Ų50.60%025%0.25CS..Hα-helixtrans-60.8-44176.1-59.7-55.6000111.4F414 F427 F431 S432 G438 I439 L449 L452 L453F414-I435 HydrophobicContact CD2-CD1 4.18Å; F414-I435 HydrophobicContact CE2-CD1 4.13Å; F427-I435 HydrophobicContact CE1-CD1 4.35Å; F427-I435 HydrophobicContact CE1-CG1 4.35Å; F427-I435 HydrophobicContact CZ-CD1 4.05Å; F427-I435 HydrophobicContact CZ-CG1 4.38Å; F431-I435 PolarHBondContact O-N 2.84Å; F431-I435 VanDerWaalsContact O-N 3.09Å; S432-I435 PolarHBondContact O-N 3.22Å; I435-G438 WeakPolarHBondContact O-CA 3.29Å; I435-G438 PolarHBondContact O-N 3.4Å; I435-G438 VanDerWaalsContact O-N 3.15Å; I435-I439 PolarHBondContact O-N 2.82Å; I435-L449 HydrophobicContact CD1-CD2 4.29Å; I435-L449 HydrophobicContact CG2-CD2 4.39Å; I435-L452 HydrophobicContact CD1-CD1 4.36Å; I435-L452 HydrophobicContact CG2-CB 4.13Å; I435-L453 HydrophobicContact CG2-CD2 4.1Å
436K98.4Very high97.1Very high6 Ų645.8 Ų45.83%0.02623%0.228CC..Hα-helixtrans-66.6-36.8178-67.3172.7-174.5-172.50112.3Y428 S432 K433 N434 G438 I439 H440 L453 E513 I515 D516 C519Y428-K436 WeakPolarHBondContact OH-CE 3.35Å; S432-K436 WeakPolarHBondContact O-CB 3.47Å; S432-K436 VanDerWaalsContact O-CG 3.28Å; S432-K436 WeakPolarHBondContact O-CG 3.21Å; S432-K436 PolarHBondContact O-N 3.23Å; K433-K436 PolarHBondContact O-N 3.07Å; N434-K436 VanDerWaalsContact C-N 3.34Å; N434-K436 PolarHBondContact O-N 3.35Å; K436-G438 VanDerWaalsContact C-N 3.32Å; K436-I439 WeakPolarHBondContact O-CB 3.41Å; K436-I439 PolarHBondContact O-N 2.74Å; K436-H440 PolarHBondContact O-N 3.13Å; K436-H440 VanDerWaalsContact O-N 3.13Å; K436-L453 HydrophobicContact CG-CD2 3.96Å; K436-E513 IonicContact NZ-OE2 2.64Å; K436-E513 PolarHBondContact NZ-OE2 3.43Å; K436-I515 HydrophobicContact CB-CD1 4.04Å; K436-I515 HydrophobicContact CB-CG1 4.04Å; K436-I515 HydrophobicContact CB-CG2 4.03Å; K436-I515 HydrophobicContact CD-CG2 3.6Å; K436-I515 HydrophobicContact CG-CG2 4.46Å; K436-D516 VanDerWaalsContact CD-OD1 3.24Å; K436-D516 WeakPolarHBondContact CD-OD1 3.49Å; K436-D516 WeakPolarHBondContact CE-OD1 3.39Å; K436-D516 IonicContact NZ-OD1 2.66Å; K436-D516 PolarHBondContact NZ-OD1 2.77Å; K436-D516 IonicContact NZ-OD2 2.69Å; K436-D516 PolarHBondContact NZ-OD2 3.05Å; K436-C519 HydrophobicContact CB-CB 4.37Å
437L97.2Very high97.1Very high35 Ų3547.9 Ų47.918%0.18324%0.237CC..Hα-helixtrans-62.1-41.8170.2-177.962.6000111.1E370 K433 N434 I439 H440 E441 I515E370-L437 HydrophobicContact CG-CD2 4.5Å; K433-L437 WeakPolarHBondContact O-CB 3.38Å; K433-L437 PolarHBondContact O-N 2.95Å; N434-L437 PolarHBondContact O-N 3.13Å; L437-I439 VanDerWaalsContact C-N 3.31Å; L437-I439 PolarHBondContact O-N 2.82Å; L437-H440 WeakPolarHBondContact O-CA 3.47Å; L437-H440 WeakPolarHBondContact O-CB 3.01Å; L437-H440 PolarHBondContact O-N 3.39Å; L437-E441 HydrophobicContact CD1-CG 3.98Å; L437-E441 HydrophobicContact CG-CG 4.35Å; L437-E441 PolarHBondContact O-N 3.45Å; L437-I515 HydrophobicContact CB-CD1 4.16Å
438G97.6Very high97.1Very high0 Ų052.5 Ų52.50%026%0.257CS..Hα-helixtrans-58.4-40.5173.800000112.8Y371 N434 I435 K436 H440 E441 D442 L449Y371-G438 VanDerWaalsContact CG-CA 3.44Å; N434-G438 PolarHBondContact O-N 3.36Å; I435-G438 WeakPolarHBondContact O-CA 3.29Å; I435-G438 PolarHBondContact O-N 3.4Å; I435-G438 VanDerWaalsContact O-N 3.15Å; K436-G438 VanDerWaalsContact C-N 3.32Å; G438-H440 VanDerWaalsContact C-N 3.28Å; G438-H440 PolarHBondContact O-N 3.48Å; G438-E441 PolarHBondContact O-N 2.95Å; G438-D442 WeakPolarHBondContact O-CA 3.46Å; G438-D442 WeakPolarHBondContact O-CB 3.45Å; G438-D442 PolarHBondContact O-N 2.88Å; G438-L449 VanDerWaalsContact C-CD1 3.47Å
439I98.1Very high97.1Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-60.3-41.4172.6-64.8-70.9000111.1I435 K436 L437 R446 L449 L453 C519 Q522 L523I435-I439 PolarHBondContact O-N 2.82Å; K436-I439 WeakPolarHBondContact O-CB 3.41Å; K436-I439 PolarHBondContact O-N 2.74Å; L437-I439 VanDerWaalsContact C-N 3.31Å; L437-I439 PolarHBondContact O-N 2.82Å; I439-R446 HydrophobicContact CD1-CG 3.91Å; I439-R446 WeakPolarHBondContact CD1-O 3.23Å; I439-R446 HydrophobicContact CG2-CG 4.15Å; I439-R446 PolarHBondContact O-NE 3.29Å; I439-R446 PolarHBondContact O-NH2 2.97Å; I439-L449 HydrophobicContact CD1-CB 3.42Å; I439-L449 VanDerWaalsContact CD1-CB 3.42Å; I439-L449 HydrophobicContact CG1-CB 4.11Å; I439-L453 HydrophobicContact CD1-CD1 4.43Å; I439-L453 HydrophobicContact CG1-CD1 4.36Å; I439-L453 HydrophobicContact CG1-CD2 4.43Å; I439-C519 VanDerWaalsContact CG2-SG 3.58Å; I439-Q522 HydrophobicContact CG2-CB 4.45Å; I439-L523 HydrophobicContact CG2-CB 4.37Å
440H96.6Very high97.2Very high64 Ų6444.9 Ų44.930%0.29622%0.222SC..Hα-helixtrans-65.5-47.9-179.6-170.471.6000111.9K436 L437 G438 R446 Y518K436-H440 PolarHBondContact O-N 3.13Å; K436-H440 VanDerWaalsContact O-N 3.13Å; L437-H440 WeakPolarHBondContact O-CA 3.47Å; L437-H440 WeakPolarHBondContact O-CB 3.01Å; L437-H440 PolarHBondContact O-N 3.39Å; G438-H440 VanDerWaalsContact C-N 3.28Å; G438-H440 PolarHBondContact O-N 3.48Å; H440-R446 PolarHBondContact O-NH2 3.31Å; H440-Y518 PolarHBondContact ND1-O 3.25Å
441E95.6Very high97.3Very high101 Ų10148 Ų4847%0.47223%0.23SC..Hα-helixtrans-91.4-40.7-170.3-62.8-175.3158.500114.6L437 G438 S443L437-E441 HydrophobicContact CD1-CG 3.98Å; L437-E441 HydrophobicContact CG-CG 4.35Å; L437-E441 PolarHBondContact O-N 3.45Å; G438-E441 PolarHBondContact O-N 2.95Å; E441-S443 PolarHBondContact O-N 2.84Å
442D96.5Very high97.3Very high24 Ų2448.4 Ų48.413%0.12823%0.232CC..  trans-98.788-169.1-168.2-22.5000111.8Y371 G438 Q444 N445 R446 L449Y371-D442 HydrophobicContact CD1-CB 4.4Å; Y371-D442 HydrophobicContact CE1-CB 3.65Å; Y371-D442 WeakPolarHBondContact CE1-OD2 3.45Å; Y371-D442 PolarHBondContact OH-OD2 3.04Å; G438-D442 WeakPolarHBondContact O-CA 3.46Å; G438-D442 WeakPolarHBondContact O-CB 3.45Å; G438-D442 PolarHBondContact O-N 2.88Å; D442-Q444 PolarHBondContact O-N 3.33Å; D442-Q444 PolarHBondContact OD1-N 3.09Å; D442-Q444 VanDerWaalsContact OD1-N 3.13Å; D442-N445 PolarHBondContact O-N 3.03Å; D442-N445 PolarHBondContact OD1-N 3.09Å; D442-N445 PolarHBondContact OD1-ND2 3.49Å; D442-N445 PolarHBondContact OD2-ND2 3.24Å; D442-R446 WeakPolarHBondContact O-CB 3.38Å; D442-R446 PolarHBondContact O-N 2.83Å; D442-L449 HydrophobicContact CB-CD1 4.43Å
443S96.3Very high97.3Very high82 Ų8247.9 Ų47.957%0.57323%0.228SC*.THydrogen-bonded Turntrans-64.8-26.1178.862.10000114.4E441E441-S443 PolarHBondContact O-N 2.84Å
444Q96.3Very high97.3Very high160 Ų16045 Ų4575%0.74822%0.215SC*.THydrogen-bonded Turntrans-76.7-39.2-177.7-65.1-176.1-7.600111.3D442D442-Q444 PolarHBondContact O-N 3.33Å; D442-Q444 PolarHBondContact OD1-N 3.09Å; D442-Q444 VanDerWaalsContact OD1-N 3.13Å
445N97.5Very high97.3Very high32 Ų3245.1 Ų45.117%0.17122%0.215CC..THydrogen-bonded Turntrans-98.5-0.9-178.3-63.8-62.5000113.9V407 L411 D442 K447 K448 L449V407-N445 WeakPolarHBondContact CG1-ND2 3.39Å; L411-N445 HydrophobicContact CD1-CB 3.7Å; D442-N445 PolarHBondContact O-N 3.03Å; D442-N445 PolarHBondContact OD1-N 3.09Å; D442-N445 PolarHBondContact OD1-ND2 3.49Å; D442-N445 PolarHBondContact OD2-ND2 3.24Å; N445-K447 PolarHBondContact O-N 2.96Å; N445-K447 VanDerWaalsContact O-N 3.11Å; N445-K448 PolarHBondContact O-N 3.35Å; N445-L449 HydrophobicContact CB-CD1 4.29Å; N445-L449 PolarHBondContact O-N 2.83Å
446R96.8Very high97.3Very high47 Ų4746.8 Ų46.818%0.17722%0.223CC..Hα-helixtrans-48.4-41.9-178.2-172.6171.5-64.5126.40.8114.1I439 H440 D442 L449 S450I439-R446 HydrophobicContact CD1-CG 3.91Å; I439-R446 WeakPolarHBondContact CD1-O 3.23Å; I439-R446 HydrophobicContact CG2-CG 4.15Å; I439-R446 PolarHBondContact O-NE 3.29Å; I439-R446 PolarHBondContact O-NH2 2.97Å; H440-R446 PolarHBondContact O-NH2 3.31Å; D442-R446 WeakPolarHBondContact O-CB 3.38Å; D442-R446 PolarHBondContact O-N 2.83Å; R446-L449 PolarHBondContact O-N 2.74Å; R446-S450 WeakPolarHBondContact O-CB 3.44Å; R446-S450 PolarHBondContact O-N 2.64Å; R446-S450 PolarHBondContact O-OG 3.33Å
447K95.8Very high97.2Very high149 Ų14946.6 Ų46.665%0.64822%0.222SC*.Hα-helixtrans-58.7-53.2177.8-176177.6177.7178.80111N445 L449 S450N445-K447 PolarHBondContact O-N 2.96Å; N445-K447 VanDerWaalsContact O-N 3.11Å; K447-L449 PolarHBondContact O-N 2.96Å; K447-S450 PolarHBondContact O-N 2.69Å; K447-S450 VanDerWaalsContact O-N 3.12Å; K447-S450 PolarHBondContact O-OG 3.34Å
448K96.9Very high97.2Very high98 Ų9846.6 Ų46.643%0.42623%0.225SC..Hα-helixtrans-62.9-41.4178.8-65.4-176.3175.2-173.20112.5L411 N445 S450 E451L411-K448 HydrophobicContact CD1-CB 4.4Å; L411-K448 HydrophobicContact CD1-CD 4.14Å; N445-K448 PolarHBondContact O-N 3.35Å; K448-S450 VanDerWaalsContact C-N 3.25Å; K448-S450 PolarHBondContact O-N 2.86Å; K448-E451 PolarHBondContact O-N 2.62Å
449L98Very high97.1Very high0 Ų051.1 Ų51.10%025%0.247CC..Hα-helixtrans-62.5-33.3175.9-72.1168.8000112Y371 L411 I435 G438 I439 D442 N445 R446 K447 E451 L452Y371-L449 HydrophobicContact CE2-CD1 4.31Å; Y371-L449 HydrophobicContact CE2-CD2 4.24Å; L411-L449 HydrophobicContact CD2-CD2 3.51Å; L411-L449 HydrophobicContact CD2-CG 4.02Å; I435-L449 HydrophobicContact CD1-CD2 4.29Å; I435-L449 HydrophobicContact CG2-CD2 4.39Å; G438-L449 VanDerWaalsContact C-CD1 3.47Å; I439-L449 HydrophobicContact CD1-CB 3.42Å; I439-L449 VanDerWaalsContact CD1-CB 3.42Å; I439-L449 HydrophobicContact CG1-CB 4.11Å; D442-L449 HydrophobicContact CB-CD1 4.43Å; N445-L449 HydrophobicContact CB-CD1 4.29Å; N445-L449 PolarHBondContact O-N 2.83Å; R446-L449 PolarHBondContact O-N 2.74Å; K447-L449 PolarHBondContact O-N 2.96Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 3.04Å; L449-L452 HydrophobicContact CD2-CD1 4.35Å; L449-L452 WeakPolarHBondContact O-CB 3.18Å; L449-L452 PolarHBondContact O-N 3.1Å; L449-L452 VanDerWaalsContact O-N 3.09Å
450S97.9Very high96.8Very high3 Ų352.6 Ų52.62%0.02126%0.257CS..Hα-helixtrans-68.9-28.4-178.267.10000113.1R446 K447 K448 L452 L453 F526R446-S450 WeakPolarHBondContact O-CB 3.44Å; R446-S450 PolarHBondContact O-N 2.64Å; R446-S450 PolarHBondContact O-OG 3.33Å; K447-S450 PolarHBondContact O-N 2.69Å; K447-S450 VanDerWaalsContact O-N 3.12Å; K447-S450 PolarHBondContact O-OG 3.34Å; K448-S450 VanDerWaalsContact C-N 3.25Å; K448-S450 PolarHBondContact O-N 2.86Å; S450-L452 PolarHBondContact O-N 2.87Å; S450-L453 WeakPolarHBondContact O-CB 3.24Å; S450-L453 PolarHBondContact O-N 3.49Å; S450-F526 VanDerWaalsContact OG-CD2 3.3Å; S450-F526 WeakPolarHBondContact OG-CD2 3.46Å; S450-F526 WeakPolarHBondContact OG-CE2 3.19Å
451E97.6Very high96.4Very high91 Ų9151.5 Ų51.543%0.42526%0.262SS..Hα-helixtrans-67.6-21.4173.3-63.3165.3-164.800112.1K448 L449 R454 F526K448-E451 PolarHBondContact O-N 2.62Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-E451 PolarHBondContact O-N 3.04Å; E451-R454 PolarHBondContact O-NH1 3.41Å; E451-F526 HydrophobicContact CG-CE2 4.11Å; E451-F526 HydrophobicContact CG-CZ 4.31Å
452L98.1Very high96.2Very high7 Ų753.3 Ų53.34%0.03728%0.276CS..THydrogen-bonded Turntrans-87.3-2.7176.7-56.7175.2000113.1F414 A418 Y424 Y428 I435 L449 S450F414-L452 HydrophobicContact CB-CD1 3.62Å; F414-L452 HydrophobicContact CB-CD2 4Å; F414-L452 HydrophobicContact CB-CG 4.49Å; F414-L452 HydrophobicContact CD2-CD1 3.92Å; F414-L452 HydrophobicContact CG-CD1 4.22Å; A418-L452 HydrophobicContact CB-CD2 4.46Å; Y424-L452 HydrophobicContact CE2-CD2 4.26Å; Y424-L452 VanDerWaalsContact OH-C 3.27Å; Y424-L452 WeakPolarHBondContact OH-CA 3.36Å; Y424-L452 VanDerWaalsContact OH-CB 3.24Å; Y424-L452 WeakPolarHBondContact OH-CB 3.46Å; Y424-L452 PolarHBondContact OH-O 3.08Å; Y428-L452 WeakPolarHBondContact CE2-O 3.34Å; I435-L452 HydrophobicContact CD1-CD1 4.36Å; I435-L452 HydrophobicContact CG2-CB 4.13Å; L449-L452 HydrophobicContact CD2-CD1 4.35Å; L449-L452 WeakPolarHBondContact O-CB 3.18Å; L449-L452 PolarHBondContact O-N 3.1Å; L449-L452 VanDerWaalsContact O-N 3.09Å; S450-L452 PolarHBondContact O-N 2.87Å
453L98.3Very high96Very high0 Ų057.8 Ų57.80%030%0.295CS..  trans-75.4141.8179.7-63.8172000111I435 K436 I439 S450 Y455 L467 L523I435-L453 HydrophobicContact CG2-CD2 4.1Å; K436-L453 HydrophobicContact CG-CD2 3.96Å; I439-L453 HydrophobicContact CD1-CD1 4.43Å; I439-L453 HydrophobicContact CG1-CD1 4.36Å; I439-L453 HydrophobicContact CG1-CD2 4.43Å; S450-L453 WeakPolarHBondContact O-CB 3.24Å; S450-L453 PolarHBondContact O-N 3.49Å; L453-Y455 HydrophobicContact CB-CD2 4.35Å; L453-Y455 HydrophobicContact CB-CE2 3.61Å; L453-Y455 HydrophobicContact CD1-CE2 4.12Å; L453-Y455 HydrophobicContact CG-CE2 4.34Å; L453-L467 HydrophobicContact CD1-CD1 4.22Å; L453-L523 HydrophobicContact CD1-CD2 3.76Å
454R98Very high96Very high42 Ų4258 Ų5816%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-132.5132.1174.9-60.1-66.5179.8-84-1108.8Y424 Y428 E451 M464 T465Y424-R454 HydrophobicContact CD1-CG 4.42Å; Y424-R454 HydrophobicContact CE1-CG 3.69Å; Y424-R454 VanDerWaalsContact CE1-CZ 3.45Å; Y428-R454 HydrophobicContact CD1-CB 3.92Å; Y428-R454 HydrophobicContact CD1-CG 4.4Å; Y428-R454 HydrophobicContact CD2-CG 4.32Å; Y428-R454 HydrophobicContact CE1-CB 3.67Å; Y428-R454 HydrophobicContact CE1-CG 4.47Å; Y428-R454 WeakPolarHBondContact CE1-O 3.33Å; Y428-R454 HydrophobicContact CE2-CB 4.32Å; Y428-R454 HydrophobicContact CE2-CG 4.41Å; Y428-R454 HydrophobicContact CG-CB 4.33Å; Y428-R454 HydrophobicContact CG-CG 4.33Å; Y428-R454 VanDerWaalsContact CZ-N 3.34Å; Y428-R454 PolarHBondContact OH-N 3.35Å; Y428-R454 VanDerWaalsContact OH-N 3.14Å; Y428-R454 PolarHBondContact OH-O 2.99Å; E451-R454 PolarHBondContact O-NH1 3.41Å; R454-M464 HydrophobicContact CB-CB 3.89Å; R454-M464 HydrophobicContact CB-SD 4.05Å; R454-T465 WeakPolarHBondContact CA-O 3.39Å
455Y98Very high96Very high6 Ų650.7 Ų50.72%0.02426%0.255CS..EExtended strand (participates in β ladder)trans-136.6154.2-178.7-63.8-74.9000110.1L453 M464 T465 L467 M511 D516L453-Y455 HydrophobicContact CB-CD2 4.35Å; L453-Y455 HydrophobicContact CB-CE2 3.61Å; L453-Y455 HydrophobicContact CD1-CE2 4.12Å; L453-Y455 HydrophobicContact CG-CE2 4.34Å; Y455-M464 CarbonylContact O-C 3.54Å; Y455-M464 VanDerWaalsContact O-CA 3.26Å; Y455-M464 WeakPolarHBondContact O-CA 3.29Å; Y455-T465 PolarHBondContact N-O 2.75Å; Y455-T465 PolarHBondContact O-N 2.98Å; Y455-L467 HydrophobicContact CD2-CD2 4.29Å; Y455-L467 HydrophobicContact CE2-CD2 4.38Å; Y455-M511 HydrophobicContact CD1-CG 3.88Å; Y455-M511 HydrophobicContact CE1-CE 4.21Å; Y455-M511 HydrophobicContact CE1-CG 3.79Å; Y455-M511 HydrophobicContact CE1-SD 4.49Å; Y455-M511 HydrophobicContact CE2-CE 4.21Å; Y455-D516 WeakPolarHBondContact CE1-OD1 3.23Å
456H97.8Very high96.1Very high35 Ų3549.6 Ų49.616%0.16225%0.25CC..EExtended strand (participates in β ladder)trans-73.4152.7162.8-66.3-68.7000109.8D462 E463 M464 K489 Y510H456-D462 PolarHBondContact CE1-O 2.73Å; H456-E463 PolarHBondContact ND1-O 2.93Å; H456-M464 WeakPolarHBondContact NE2-CE 3.36Å; H456-K489 HydrophobicContact CB-CD 4.47Å; H456-Y510 HydrophobicContact CB-CD2 4.21Å; H456-Y510 PolarHBondContact O-N 2.99Å
457S97.5Very high96.1Very high2 Ų247.4 Ų47.41%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-134.4169.3175.186.20000112.2Q459 S460 E507 V508 Y510S457-Q459 PolarHBondContact O-N 3.18Å; S457-Q459 VanDerWaalsContact O-N 3.17Å; S457-Q459 PolarHBondContact OG-N 2.91Å; S457-Q459 VanDerWaalsContact OG-N 3.16Å; S457-S460 PolarHBondContact N-OG 2.99Å; S457-S460 PolarHBondContact O-N 3.26Å; S457-S460 WeakPolarHBondContact OG-CB 3.42Å; S457-S460 PolarHBondContact OG-N 3.11Å; S457-S460 PolarHBondContact OG-OG 3.21Å; S457-E507 WeakPolarHBondContact CB-OE1 3.24Å; S457-E507 PolarHBondContact OG-OE1 2.9Å; S457-V508 CarbonylContact C-O 3.51Å; S457-V508 WeakPolarHBondContact CA-O 3.47Å; S457-V508 WeakPolarHBondContact CB-O 3.39Å; S457-Y510 WeakPolarHBondContact O-CE2 3.13Å
458S96.6Very high96.2Very high36 Ų3643.6 Ų43.625%0.25223%0.231SC..THydrogen-bonded Turntrans-61.5-17.717462.80000114.1E507 V508 Y510S458-E507 WeakPolarHBondContact OG-CA 3.08Å; S458-V508 PolarHBondContact N-O 3.25Å; S458-V508 PolarHBondContact OG-N 3.41Å; S458-Y510 VanDerWaalsContact CA-OH 3.29Å; S458-Y510 WeakPolarHBondContact CA-OH 3.41Å; S458-Y510 WeakPolarHBondContact CB-OH 3.37Å
459Q95.1Very high96.1Very high95 Ų9543 Ų4344%0.44423%0.23SC..THydrogen-bonded Turntrans-110.7-20.6-179.2-64.4-172.914.400113.3S457 E507S457-Q459 PolarHBondContact O-N 3.18Å; S457-Q459 VanDerWaalsContact O-N 3.17Å; S457-Q459 PolarHBondContact OG-N 2.91Å; S457-Q459 VanDerWaalsContact OG-N 3.16Å; Q459-E507 HydrophobicContact CB-CG 4.2Å; Q459-E507 HydrophobicContact CG-CB 4.27Å; Q459-E507 HydrophobicContact CG-CG 3.99Å
460S91.4Very high96.1Very high31 Ų3143 Ų4322%0.21723%0.23CC..THydrogen-bonded Turntrans-82.1-10.7-174.975.90000114.4S457 D462 E463S457-S460 PolarHBondContact N-OG 2.99Å; S457-S460 PolarHBondContact O-N 3.26Å; S457-S460 WeakPolarHBondContact OG-CB 3.42Å; S457-S460 PolarHBondContact OG-N 3.11Å; S457-S460 PolarHBondContact OG-OG 3.21Å; S460-D462 PolarHBondContact O-N 2.95Å; S460-E463 VanDerWaalsContact CB-O 3.26Å; S460-E463 WeakPolarHBondContact CB-O 3.4Å; S460-E463 PolarHBondContact O-N 2.66Å; S460-E463 PolarHBondContact OG-O 2.97Å
461G89.6Confident96.1Very high40 Ų4044.3 Ų44.341%0.41224%0.236SC..THydrogen-bonded Turntrans62.4-124.7-176.700000111.1K489G461-K489 WeakPolarHBondContact O-CE 3.35Å; G461-K489 PolarHBondContact O-NZ 3.2Å
462D90.1Very high96.1Very high140 Ų14045.3 Ų45.375%0.74925%0.248SC*.THydrogen-bonded Turntrans-89.8-5.9179.8-64.7-36.1000114.3H456 S460 K489H456-D462 PolarHBondContact CE1-O 2.73Å; S460-D462 PolarHBondContact O-N 2.95Å; D462-K489 IonicContact OD1-NZ 3.59Å; D462-K489 PolarHBondContact OD1-NZ 2.88Å
463E93.6Very high96Very high117 Ų11748.8 Ų48.855%0.54726%0.261SS..SBendtrans-84.1147.5170.3-64.4-162.3-178.500110.6K421 H456 S460K421-E463 IonicContact NZ-OE2 2.77Å; K421-E463 PolarHBondContact NZ-OE2 3.1Å; H456-E463 PolarHBondContact ND1-O 2.93Å; S460-E463 VanDerWaalsContact CB-O 3.26Å; S460-E463 WeakPolarHBondContact CB-O 3.4Å; S460-E463 PolarHBondContact O-N 2.66Å; S460-E463 PolarHBondContact OG-O 2.97Å
464M95.4Very high95.8Very high88 Ų8850.2 Ų50.243%0.43327%0.268SS..  trans-86.3147.5167.4-63.2-176.1177.300109.6Y428 R454 Y455 H456Y428-M464 HydrophobicContact CD1-SD 4.08Å; Y428-M464 HydrophobicContact CE1-SD 4.11Å; R454-M464 HydrophobicContact CB-CB 3.89Å; R454-M464 HydrophobicContact CB-SD 4.05Å; Y455-M464 CarbonylContact O-C 3.54Å; Y455-M464 VanDerWaalsContact O-CA 3.26Å; Y455-M464 WeakPolarHBondContact O-CA 3.29Å; H456-M464 WeakPolarHBondContact NE2-CE 3.36Å
465T97.1Very high95.6Very high5 Ų553 Ų533%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-122.6152.3178.1-1690000110.3R454 Y455 E469 R473 L509R454-T465 WeakPolarHBondContact CA-O 3.39Å; Y455-T465 PolarHBondContact N-O 2.75Å; Y455-T465 PolarHBondContact O-N 2.98Å; T465-E469 WeakPolarHBondContact CA-OE2 3.46Å; T465-E469 WeakPolarHBondContact CB-OE2 3.46Å; T465-E469 VanDerWaalsContact OG1-CB 3.22Å; T465-E469 WeakPolarHBondContact OG1-CB 3.34Å; T465-E469 PolarHBondContact OG1-OE2 2.87Å; T465-R473 PolarHBondContact OG1-NH1 2.84Å; T465-R473 PolarHBondContact OG1-NH2 3.39Å; T465-L509 HydrophobicContact CG2-CD2 4.35Å
466S97.8Very high95.2Very high9 Ų962.7 Ų62.76%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-80.1163.3173.671.40000112.2T468 E469 Y470S466-T468 VanDerWaalsContact C-N 3.28Å; S466-T468 PolarHBondContact O-N 2.87Å; S466-E469 PolarHBondContact N-OE2 3.19Å; S466-E469 PolarHBondContact O-N 3.36Å; S466-E469 WeakPolarHBondContact OG-CB 3.39Å; S466-E469 VanDerWaalsContact OG-CG 3.26Å; S466-E469 WeakPolarHBondContact OG-CG 3.33Å; S466-E469 PolarHBondContact OG-N 3.41Å; S466-Y470 PolarHBondContact O-N 3.33Å
467L97.8Very high94.8Very high1 Ų165.5 Ų65.51%0.00534%0.343CS..Hα-helixtrans-62.7-38.3171-64178.2000111.3L453 Y455 E469 Y470 L471 L509 L523 F526L453-L467 HydrophobicContact CD1-CD1 4.22Å; Y455-L467 HydrophobicContact CD2-CD2 4.29Å; Y455-L467 HydrophobicContact CE2-CD2 4.38Å; L467-E469 PolarHBondContact O-N 2.84Å; L467-Y470 WeakPolarHBondContact O-CB 3.3Å; L467-Y470 PolarHBondContact O-N 3.16Å; L467-L471 WeakPolarHBondContact O-CG 3.49Å; L467-L471 PolarHBondContact O-N 2.89Å; L467-L509 HydrophobicContact CD2-CD1 3.43Å; L467-L509 VanDerWaalsContact CD2-CD1 3.43Å; L467-L523 HydrophobicContact CD1-CD2 3.91Å; L467-F526 HydrophobicContact CB-CD1 3.61Å; L467-F526 HydrophobicContact CB-CD2 4.26Å; L467-F526 HydrophobicContact CB-CE1 3.41Å; L467-F526 VanDerWaalsContact CB-CE1 3.41Å; L467-F526 HydrophobicContact CB-CE2 4.07Å; L467-F526 HydrophobicContact CB-CG 4.04Å; L467-F526 HydrophobicContact CB-CZ 3.65Å; L467-F526 HydrophobicContact CD1-CB 4.3Å; L467-F526 HydrophobicContact CD1-CD1 4.28Å; L467-F526 HydrophobicContact CD1-CD2 3.71Å; L467-F526 HydrophobicContact CD1-CE2 4.06Å; L467-F526 HydrophobicContact CD1-CG 3.83Å; L467-F526 HydrophobicContact CD1-CZ 4.49Å
468T96.9Very high94.5Very high70 Ų7065.6 Ų65.643%0.42934%0.344SS..Hα-helixtrans-60.1-46.4176.1-51.50000111.7S466 Y470 L471 T472S466-T468 VanDerWaalsContact C-N 3.28Å; S466-T468 PolarHBondContact O-N 2.87Å; T468-Y470 VanDerWaalsContact C-N 3.34Å; T468-Y470 PolarHBondContact O-N 3.21Å; T468-L471 WeakPolarHBondContact O-CB 3.26Å; T468-L471 PolarHBondContact O-N 3.36Å; T468-L471 VanDerWaalsContact O-N 3.15Å; T468-T472 WeakPolarHBondContact O-CG2 3.32Å; T468-T472 PolarHBondContact O-N 3.39Å
469E96.8Very high94.3Very high85 Ų8572 Ų7240%0.39737%0.367SS..Hα-helixtrans-62.5-40176.2-76.3171.3164.200112T465 S466 L467 L471 T472 R473T465-E469 WeakPolarHBondContact CA-OE2 3.46Å; T465-E469 WeakPolarHBondContact CB-OE2 3.46Å; T465-E469 VanDerWaalsContact OG1-CB 3.22Å; T465-E469 WeakPolarHBondContact OG1-CB 3.34Å; T465-E469 PolarHBondContact OG1-OE2 2.87Å; S466-E469 PolarHBondContact N-OE2 3.19Å; S466-E469 PolarHBondContact O-N 3.36Å; S466-E469 WeakPolarHBondContact OG-CB 3.39Å; S466-E469 VanDerWaalsContact OG-CG 3.26Å; S466-E469 WeakPolarHBondContact OG-CG 3.33Å; S466-E469 PolarHBondContact OG-N 3.41Å; L467-E469 PolarHBondContact O-N 2.84Å; E469-L471 VanDerWaalsContact C-N 3.31Å; E469-L471 PolarHBondContact O-N 2.87Å; E469-T472 PolarHBondContact O-N 3.33Å; E469-T472 PolarHBondContact O-OG1 3.17Å; E469-R473 PolarHBondContact O-N 3.08Å; E469-R473 PolarHBondContact O-NH1 2.85Å
470Y97.9Very high94.3Very high0 Ų068.4 Ų68.40%035%0.352CS..Hα-helixtrans-57-44.5172.5177.5-75.7000111.4S466 L467 T468 T472 R473 M474 Q478 I481 Y482 E507 L509S466-Y470 PolarHBondContact O-N 3.33Å; L467-Y470 WeakPolarHBondContact O-CB 3.3Å; L467-Y470 PolarHBondContact O-N 3.16Å; T468-Y470 VanDerWaalsContact C-N 3.34Å; T468-Y470 PolarHBondContact O-N 3.21Å; Y470-T472 VanDerWaalsContact C-N 3.27Å; Y470-T472 PolarHBondContact O-N 3.38Å; Y470-R473 PolarHBondContact O-N 2.95Å; Y470-M474 HydrophobicContact CD1-CG 3.92Å; Y470-M474 HydrophobicContact CD1-SD 4.31Å; Y470-M474 HydrophobicContact CE1-CG 3.65Å; Y470-M474 HydrophobicContact CE1-SD 4.05Å; Y470-M474 PolarHBondContact O-N 2.98Å; Y470-Q478 PolarHBondContact OH-NE2 3.38Å; Y470-I481 HydrophobicContact CD1-CG1 4.1Å; Y470-I481 HydrophobicContact CD1-CG2 4.12Å; Y470-I481 HydrophobicContact CE1-CB 3.99Å; Y470-I481 HydrophobicContact CE1-CG1 3.83Å; Y470-I481 HydrophobicContact CE1-CG2 3.76Å; Y470-I481 HydrophobicContact CE2-CG2 4.37Å; Y470-Y482 PolarHBondContact OH-N 3.41Å; Y470-E507 HydrophobicContact CD2-CB 4.11Å; Y470-E507 HydrophobicContact CD2-CG 3.76Å; Y470-E507 HydrophobicContact CE2-CB 3.59Å; Y470-E507 HydrophobicContact CE2-CG 3.64Å; Y470-E507 PolarHBondContact OH-O 3.31Å; Y470-L509 HydrophobicContact CD2-CD1 4.38Å; Y470-L509 HydrophobicContact CD2-CD2 3.63Å; Y470-L509 HydrophobicContact CD2-CG 3.87Å; Y470-L509 HydrophobicContact CE2-CD2 4.19Å; Y470-L509 HydrophobicContact CE2-CG 4Å; Y470-L509 HydrophobicContact CG-CD2 4.41Å
471L96.8Very high94.6Very high31 Ų3166.9 Ų66.916%0.16234%0.341CS..Hα-helixtrans-58.8-38.1178.8-64.4-178000112.3L467 T468 E469 R473 M474 I481 F526 D527 K529L467-L471 WeakPolarHBondContact O-CG 3.49Å; L467-L471 PolarHBondContact O-N 2.89Å; T468-L471 WeakPolarHBondContact O-CB 3.26Å; T468-L471 PolarHBondContact O-N 3.36Å; T468-L471 VanDerWaalsContact O-N 3.15Å; E469-L471 VanDerWaalsContact C-N 3.31Å; E469-L471 PolarHBondContact O-N 2.87Å; L471-R473 PolarHBondContact O-N 2.87Å; L471-M474 HydrophobicContact CB-SD 4.49Å; L471-M474 HydrophobicContact CD2-SD 3.33Å; L471-M474 WeakPolarHBondContact CD2-SD 3.15Å; L471-M474 HydrophobicContact CG-SD 4.48Å; L471-M474 WeakPolarHBondContact O-CB 3.44Å; L471-M474 PolarHBondContact O-N 3.22Å; L471-I481 HydrophobicContact CD2-CD1 4.01Å; L471-I481 HydrophobicContact CD2-CG1 4.16Å; L471-F526 HydrophobicContact CD1-CD1 3.78Å; L471-F526 HydrophobicContact CD1-CE1 3.66Å; L471-F526 HydrophobicContact CG-CD1 4.26Å; L471-F526 HydrophobicContact CG-CE1 4.25Å; L471-D527 HydrophobicContact CD1-CB 3.56Å; L471-K529 HydrophobicContact CD2-CB 4.25Å; L471-K529 HydrophobicContact CD2-CG 3.75Å
472T96.8Very high95Very high111 Ų11165.3 Ų65.368%0.68132%0.323SS*.Hα-helixtrans-65.2-21.8177.970.60000113.6T468 E469 Y470T468-T472 WeakPolarHBondContact O-CG2 3.32Å; T468-T472 PolarHBondContact O-N 3.39Å; E469-T472 PolarHBondContact O-N 3.33Å; E469-T472 PolarHBondContact O-OG1 3.17Å; Y470-T472 VanDerWaalsContact C-N 3.27Å; Y470-T472 PolarHBondContact O-N 3.38Å
473R96Very high95.4Very high80 Ų8059.6 Ų59.630%0.30229%0.291SS..Hα-helixtrans-101.7-0.9179.7-63.3-174.8-62.5-91.83.1113.5T465 E469 Y470 L471 E507T465-R473 PolarHBondContact OG1-NH1 2.84Å; T465-R473 PolarHBondContact OG1-NH2 3.39Å; E469-R473 PolarHBondContact O-N 3.08Å; E469-R473 PolarHBondContact O-NH1 2.85Å; Y470-R473 PolarHBondContact O-N 2.95Å; L471-R473 PolarHBondContact O-N 2.87Å; R473-E507 IonicContact CZ-OE1 2.66Å; R473-E507 IonicContact CZ-OE2 3.87Å; R473-E507 IonicContact NE-OE1 3.56Å; R473-E507 IonicContact NE-OE2 3.53Å; R473-E507 PolarHBondContact NE-OE2 2.86Å; R473-E507 IonicContact NH2-OE1 2.67Å; R473-E507 PolarHBondContact NH2-OE1 2.64Å; R473-E507 IonicContact NH2-OE2 3.16Å; R473-E507 PolarHBondContact NH2-OE2 3.44Å
474M95.3Very high95.6Very high31 Ų3154.2 Ų54.215%0.15327%0.266CS..  trans-61140.3176.4-74.6-178.274.100111Y470 L471 Q478 K529Y470-M474 HydrophobicContact CD1-CG 3.92Å; Y470-M474 HydrophobicContact CD1-SD 4.31Å; Y470-M474 HydrophobicContact CE1-CG 3.65Å; Y470-M474 HydrophobicContact CE1-SD 4.05Å; Y470-M474 PolarHBondContact O-N 2.98Å; L471-M474 HydrophobicContact CB-SD 4.49Å; L471-M474 HydrophobicContact CD2-SD 3.33Å; L471-M474 WeakPolarHBondContact CD2-SD 3.15Å; L471-M474 HydrophobicContact CG-SD 4.48Å; L471-M474 WeakPolarHBondContact O-CB 3.44Å; L471-M474 PolarHBondContact O-N 3.22Å; M474-Q478 HydrophobicContact CE-CB 3.99Å; M474-Q478 HydrophobicContact CE-CG 3.61Å; M474-Q478 WeakPolarHBondContact CE-O 3.45Å; M474-K529 HydrophobicContact CE-CD 4.1Å; M474-K529 HydrophobicContact CE-CG 4.25Å; M474-K529 HydrophobicContact SD-CD 4.49Å; M474-K529 HydrophobicContact SD-CG 4.14Å
475K93.5Very high95.7Very high101 Ų10150.5 Ų50.544%0.43925%0.248SC..  trans-71.1153.1173.3-54-63.1178-178.60110.3N477 Q478 G505 F506K475-N477 VanDerWaalsContact CB-OD1 3.27Å; K475-N477 WeakPolarHBondContact CB-OD1 3.13Å; K475-N477 PolarHBondContact O-N 3.37Å; K475-Q478 HydrophobicContact CB-CB 4.16Å; K475-Q478 WeakPolarHBondContact O-CB 3.31Å; K475-Q478 PolarHBondContact O-N 2.97Å; K475-G505 WeakPolarHBondContact CE-O 3.43Å; K475-F506 HydrophobicContact CB-CD1 4.42Å; K475-F506 HydrophobicContact CB-CE1 3.98Å; K475-F506 HydrophobicContact CG-CD1 3.94Å; K475-F506 HydrophobicContact CG-CE1 3.87Å
476E89.7Confident95.6Very high209 Ų20950.5 Ų50.598%0.97725%0.249SC*.THydrogen-bonded Turntrans-58-33.8179.9-65.3-176.8171.400113.1Q478E476-Q478 VanDerWaalsContact C-N 3.32Å
477N89Confident95.3Very high93 Ų9355.1 Ų55.150%0.49727%0.27SS..THydrogen-bonded Turntrans-85.3-0177.365.2-13.3000113.9K475 P542K475-N477 VanDerWaalsContact CB-OD1 3.27Å; K475-N477 WeakPolarHBondContact CB-OD1 3.13Å; K475-N477 PolarHBondContact O-N 3.37Å; N477-P542 HydrophobicContact CB-CB 4.27Å; N477-P542 HydrophobicContact CB-CG 4.37Å; N477-P542 VanDerWaalsContact ND2-CB 3.35Å; N477-P542 WeakPolarHBondContact ND2-CB 3.35Å; N477-P542 VanDerWaalsContact O-CG 3.3Å; N477-P542 WeakPolarHBondContact O-CG 3.48Å
478Q92.6Very high95.2Very high5 Ų557.4 Ų57.42%0.02329%0.286CS..  trans-88.6119.8-177.9-168.4179.8-13.200111.3Y470 M474 K475 E476 S480 Y482 F506Y470-Q478 PolarHBondContact OH-NE2 3.38Å; M474-Q478 HydrophobicContact CE-CB 3.99Å; M474-Q478 HydrophobicContact CE-CG 3.61Å; M474-Q478 WeakPolarHBondContact CE-O 3.45Å; K475-Q478 HydrophobicContact CB-CB 4.16Å; K475-Q478 WeakPolarHBondContact O-CB 3.31Å; K475-Q478 PolarHBondContact O-N 2.97Å; E476-Q478 VanDerWaalsContact C-N 3.32Å; Q478-S480 WeakPolarHBondContact CG-O 3.43Å; Q478-S480 PolarHBondContact NE2-O 2.96Å; Q478-Y482 HydrophobicContact CG-CE2 3.89Å; Q478-F506 HydrophobicContact CB-CD1 4.28Å; Q478-F506 HydrophobicContact CB-CE1 4.04Å; Q478-F506 HydrophobicContact CG-CD1 4.11Å; Q478-F506 HydrophobicContact CG-CE1 4.28Å
479K91.4Very high95.1Very high171 Ų17156.3 Ų56.374%0.74328%0.275SS*.  trans-97.8-17.8-177.9-63.1-178.9-177.2174.80114.2K529K479-K529 WeakPolarHBondContact O-CD 3.26Å
480S95.8Very high95.1Very high18 Ų1857.8 Ų57.813%0.12629%0.286CS..EExtended strand (participates in β ladder)trans-137.9156.5-170.2-59.70000112.5Q478 T530Q478-S480 WeakPolarHBondContact CG-O 3.43Å; Q478-S480 PolarHBondContact NE2-O 2.96Å; S480-T530 CarbonylContact C-O 3.59Å; S480-T530 WeakPolarHBondContact CA-O 3.49Å; S480-T530 VanDerWaalsContact CB-O 3.32Å; S480-T530 WeakPolarHBondContact CB-O 3.33Å; S480-T530 PolarHBondContact OG-OG1 3.42Å
481I97.6Very high94.9Very high0 Ų061.5 Ų61.50%030%0.303CS..EExtended strand (participates in β ladder)trans-85.2120.9171.9-59.2172.2000107.5Y470 L471 L509 F526 K529 T530 L531 V532Y470-I481 HydrophobicContact CD1-CG1 4.1Å; Y470-I481 HydrophobicContact CD1-CG2 4.12Å; Y470-I481 HydrophobicContact CE1-CB 3.99Å; Y470-I481 HydrophobicContact CE1-CG1 3.83Å; Y470-I481 HydrophobicContact CE1-CG2 3.76Å; Y470-I481 HydrophobicContact CE2-CG2 4.37Å; L471-I481 HydrophobicContact CD2-CD1 4.01Å; L471-I481 HydrophobicContact CD2-CG1 4.16Å; I481-L509 HydrophobicContact CG2-CD1 3.63Å; I481-L509 HydrophobicContact CG2-CG 4.38Å; I481-F526 HydrophobicContact CD1-CB 4.02Å; I481-F526 HydrophobicContact CD1-CD1 4.29Å; I481-K529 HydrophobicContact CD1-CB 4.21Å; I481-K529 HydrophobicContact CG1-CB 4.03Å; I481-T530 PolarHBondContact N-O 2.93Å; I481-L531 HydrophobicContact CB-CG 4.26Å; I481-L531 HydrophobicContact CD1-CD1 4.27Å; I481-L531 HydrophobicContact CD1-CG 4.41Å; I481-V532 PolarHBondContact O-N 3.39Å
482Y97.7Very high94.9Very high7 Ų760.2 Ų60.23%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-92.6132.5179.5-60.6-66.9000109.9Y470 Q478 V501 F506 V508 L509 V532 V534 L539 E540 L541Y470-Y482 PolarHBondContact OH-N 3.41Å; Q478-Y482 HydrophobicContact CG-CE2 3.89Å; Y482-V501 HydrophobicContact CD2-CG1 4.3Å; Y482-V501 HydrophobicContact CG-CG1 4.42Å; Y482-F506 HydrophobicContact CD2-CB 4.12Å; Y482-F506 HydrophobicContact CD2-CG 4.49Å; Y482-F506 HydrophobicContact CE2-CB 4.21Å; Y482-F506 HydrophobicContact CE2-CD1 4.31Å; Y482-F506 HydrophobicContact CE2-CD2 4.47Å; Y482-F506 HydrophobicContact CE2-CG 4.07Å; Y482-V508 WeakPolarHBondContact O-CA 3.5Å; Y482-L509 PolarHBondContact O-N 3.1Å; Y482-V532 WeakPolarHBondContact CA-O 3.28Å; Y482-V532 HydrophobicContact CD1-CB 4.31Å; Y482-V532 HydrophobicContact CD1-CG1 4.43Å; Y482-V534 HydrophobicContact CD1-CG1 4.44Å; Y482-L539 HydrophobicContact CD1-CD1 3.93Å; Y482-L539 HydrophobicContact CE1-CD1 3.79Å; Y482-E540 PolarHBondContact OH-O 3.31Å; Y482-L541 HydrophobicContact CE1-CD2 4.04Å; Y482-L541 HydrophobicContact CE2-CD2 4.35Å
483Y97.9Very high94.8Very high20 Ų2055.6 Ų55.68%0.07827%0.27CS..EExtended strand (participates in β ladder)trans-139.9160.4177.173.3-89.1000112T485 L509 M511 V520 L531 V532 S533 V534Y483-T485 HydrophobicContact CD2-CG2 4.18Å; Y483-T485 HydrophobicContact CE2-CG2 4.09Å; Y483-L509 WeakPolarHBondContact CA-O 2.9Å; Y483-M511 HydrophobicContact CD2-CE 4.21Å; Y483-M511 HydrophobicContact CD2-SD 3.72Å; Y483-M511 HydrophobicContact CE2-SD 4.32Å; Y483-M511 HydrophobicContact CG-CE 4.08Å; Y483-M511 HydrophobicContact CG-SD 4.2Å; Y483-V520 HydrophobicContact CD1-CG2 4.25Å; Y483-V520 HydrophobicContact CD2-CG2 4.33Å; Y483-V520 HydrophobicContact CE1-CG2 3.63Å; Y483-V520 HydrophobicContact CE2-CB 4.37Å; Y483-V520 HydrophobicContact CE2-CG1 3.94Å; Y483-V520 HydrophobicContact CE2-CG2 3.75Å; Y483-V520 WeakPolarHBondContact OH-CG2 3.32Å; Y483-L531 HydrophobicContact CD1-CB 4.05Å; Y483-L531 HydrophobicContact CE1-CB 3.82Å; Y483-V532 WeakPolarHBondContact CD1-O 3.42Å; Y483-V532 PolarHBondContact N-O 2.91Å; Y483-V532 VanDerWaalsContact N-O 3.08Å; Y483-S533 VanDerWaalsContact CE1-N 3.32Å; Y483-S533 WeakPolarHBondContact O-CA 3.5Å; Y483-V534 WeakPolarHBondContact O-CG2 3.23Å; Y483-V534 PolarHBondContact O-N 2.64Å
484I97.8Very high94.7Very high4 Ų458 Ų582%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-135.6137.2170.6-177.3165.3000109.6V492 F497 V498 V508 L509 Y510 M511 V534 T535I484-V492 HydrophobicContact CB-CB 4.5Å; I484-V492 HydrophobicContact CD1-CB 4.05Å; I484-V492 HydrophobicContact CD1-CG1 4.28Å; I484-V492 HydrophobicContact CG1-CB 4.05Å; I484-V492 HydrophobicContact CG1-CG1 3.99Å; I484-V492 HydrophobicContact CG2-CB 3.7Å; I484-V492 HydrophobicContact CG2-CG1 4.35Å; I484-V492 HydrophobicContact CG2-CG2 4.16Å; I484-F497 HydrophobicContact CD1-CB 4.22Å; I484-F497 HydrophobicContact CD1-CD2 4.34Å; I484-V498 HydrophobicContact CB-CG1 4.42Å; I484-V498 HydrophobicContact CD1-CG1 4.13Å; I484-V498 HydrophobicContact CG2-CG1 4.02Å; I484-V508 HydrophobicContact CB-CG1 4.42Å; I484-V508 HydrophobicContact CG2-CG1 3.88Å; I484-L509 PolarHBondContact N-O 2.67Å; I484-Y510 HydrophobicContact CG2-CD1 3.5Å; I484-Y510 VanDerWaalsContact CG2-CD1 3.5Å; I484-Y510 HydrophobicContact CG2-CE1 3.85Å; I484-M511 PolarHBondContact O-N 3.37Å; I484-V534 HydrophobicContact CB-CG2 3.68Å; I484-V534 HydrophobicContact CD1-CG2 4.11Å; I484-V534 HydrophobicContact CG1-CG2 4.17Å; I484-T535 HydrophobicContact CD1-CG2 4.07Å; I484-T535 HydrophobicContact CG1-CG2 3.83Å
485T97.3Very high94.8Very high10 Ų1057.2 Ų57.26%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-102.6146.9172.954.70000110.8Y483 M511 E517Y483-T485 HydrophobicContact CD2-CG2 4.18Å; Y483-T485 HydrophobicContact CE2-CG2 4.09Å; T485-M511 CarbonylContact C-O 3.49Å; T485-M511 VanDerWaalsContact CA-O 3.24Å; T485-M511 WeakPolarHBondContact CA-O 3.44Å; T485-M511 HydrophobicContact CG2-CB 3.75Å; T485-M511 HydrophobicContact CG2-SD 4.08Å; T485-E517 WeakPolarHBondContact CB-OE1 3.28Å; T485-E517 HydrophobicContact CG2-CG 4.37Å; T485-E517 PolarHBondContact OG1-OE1 3.18Å
486G94.9Very high94.8Very high5 Ų553 Ų535%0.05227%0.27CS..  trans-174-170.9177.200000113.6M511 T512 N599G486-M511 PolarHBondContact N-O 3.3Å; G486-T512 WeakPolarHBondContact O-CA 3.2Å; G486-N599 WeakPolarHBondContact CA-OD1 3.42Å
487E92.3Very high95.1Very high106 Ų10643.3 Ų43.350%0.49523%0.225SC..SBendtrans-80-34.3-177.2-67.4174.8-166.600113R602E487-R602 WeakPolarHBondContact OE1-CD 3.34Å; E487-R602 IonicContact OE1-CZ 3.22Å; E487-R602 IonicContact OE1-NE 2.64Å; E487-R602 PolarHBondContact OE1-NE 2.86Å; E487-R602 IonicContact OE1-NH1 2.77Å; E487-R602 PolarHBondContact OE1-NH1 3Å; E487-R602 IonicContact OE1-NH2 2.74Å
488S95.6Very high95.4Very high49 Ų4938.9 Ų38.934%0.34320%0.201SC..  trans-149.1157.9-175.875.70000111.3D490 Q491 V492S488-D490 VanDerWaalsContact C-N 3.29Å; S488-D490 PolarHBondContact O-N 3.42Å; S488-Q491 PolarHBondContact O-N 3.31Å; S488-Q491 WeakPolarHBondContact OG-CB 3.47Å; S488-Q491 PolarHBondContact OG-N 2.6Å; S488-V492 WeakPolarHBondContact O-CG2 3.46Å; S488-V492 PolarHBondContact O-N 3.41Å
489K95.6Very high95.4Very high47 Ų4740.4 Ų40.420%0.20421%0.208CC..Hα-helixtrans-57.3-44.4176.5-178.6-178.5176-177.90110.9H456 G461 D462 Q491 V492 A493 Y510 T512H456-K489 HydrophobicContact CB-CD 4.47Å; G461-K489 WeakPolarHBondContact O-CE 3.35Å; G461-K489 PolarHBondContact O-NZ 3.2Å; D462-K489 IonicContact OD1-NZ 3.59Å; D462-K489 PolarHBondContact OD1-NZ 2.88Å; K489-Q491 PolarHBondContact O-N 2.99Å; K489-V492 WeakPolarHBondContact O-CG2 3.39Å; K489-V492 PolarHBondContact O-N 2.87Å; K489-A493 WeakPolarHBondContact O-CB 3.28Å; K489-A493 PolarHBondContact O-N 2.83Å; K489-Y510 HydrophobicContact CG-CD2 4.38Å; K489-T512 HydrophobicContact CB-CG2 4.35Å
490D95.2Very high95.5Very high116 Ų11633.8 Ų33.862%0.6218%0.178SC*.Hα-helixtrans-65.5-39.2-178.7-65.4-23.6000112.4S488 N494S488-D490 VanDerWaalsContact C-N 3.29Å; S488-D490 PolarHBondContact O-N 3.42Å; D490-N494 WeakPolarHBondContact O-CB 3.03Å; D490-N494 PolarHBondContact O-N 3.37Å; D490-N494 PolarHBondContact O-ND2 2.81Å
491Q95Very high95.4Very high78 Ų7832.9 Ų32.936%0.36417%0.172SC..Hα-helixtrans-61.8-51.3177-177.2-171.245.800110.8S488 K489 N494 S495S488-Q491 PolarHBondContact O-N 3.31Å; S488-Q491 WeakPolarHBondContact OG-CB 3.47Å; S488-Q491 PolarHBondContact OG-N 2.6Å; K489-Q491 PolarHBondContact O-N 2.99Å; Q491-N494 PolarHBondContact O-N 2.93Å; Q491-S495 PolarHBondContact O-N 2.78Å
492V95.7Very high95.1Very high3 Ų337.5 Ų37.52%0.01819%0.19CC..Hα-helixtrans-73.9-30.4-176.9-600000112.5I484 S488 K489 N494 S495 Y510 T512I484-V492 HydrophobicContact CB-CB 4.5Å; I484-V492 HydrophobicContact CD1-CB 4.05Å; I484-V492 HydrophobicContact CD1-CG1 4.28Å; I484-V492 HydrophobicContact CG1-CB 4.05Å; I484-V492 HydrophobicContact CG1-CG1 3.99Å; I484-V492 HydrophobicContact CG2-CB 3.7Å; I484-V492 HydrophobicContact CG2-CG1 4.35Å; I484-V492 HydrophobicContact CG2-CG2 4.16Å; S488-V492 WeakPolarHBondContact O-CG2 3.46Å; S488-V492 PolarHBondContact O-N 3.41Å; K489-V492 WeakPolarHBondContact O-CG2 3.39Å; K489-V492 PolarHBondContact O-N 2.87Å; V492-N494 VanDerWaalsContact C-N 3.32Å; V492-S495 WeakPolarHBondContact O-CB 3.22Å; V492-S495 PolarHBondContact O-N 3.22Å; V492-Y510 HydrophobicContact CB-CD1 4.27Å; V492-Y510 HydrophobicContact CG2-CD1 3.49Å; V492-Y510 VanDerWaalsContact CG2-CD1 3.49Å; V492-Y510 HydrophobicContact CG2-CE1 4.28Å; V492-Y510 HydrophobicContact CG2-CG 3.76Å; V492-T512 HydrophobicContact CG2-CG2 4.39Å
493A95.3Very high94.8Very high14 Ų1443.9 Ų43.912%0.11622%0.218CC..Hα-helixtrans-68.9-30.817500000112.1K489 R502 Y510K489-A493 WeakPolarHBondContact O-CB 3.28Å; K489-A493 PolarHBondContact O-N 2.83Å; A493-R502 VanDerWaalsContact CA-NH2 3.26Å; A493-R502 PolarHBondContact O-NH1 2.91Å; A493-R502 PolarHBondContact O-NH2 2.7Å; A493-Y510 HydrophobicContact CB-CE2 4.36Å
494N94.6Very high94.4Very high130 Ų13045.5 Ų45.570%0.69522%0.224SC*.THydrogen-bonded Turntrans-97.29.2177.2-64.6-49.8000113.1D490 Q491 V492D490-N494 WeakPolarHBondContact O-CB 3.03Å; D490-N494 PolarHBondContact O-N 3.37Å; D490-N494 PolarHBondContact O-ND2 2.81Å; Q491-N494 PolarHBondContact O-N 2.93Å; V492-N494 VanDerWaalsContact C-N 3.32Å
495S95.6Very high94.2Very high16 Ų1646.8 Ų46.811%0.11224%0.238CC..  trans-70.6141-178.1-177.10000112.5Q491 V492 F497 V498Q491-S495 PolarHBondContact O-N 2.78Å; V492-S495 WeakPolarHBondContact O-CB 3.22Å; V492-S495 PolarHBondContact O-N 3.22Å; S495-F497 PolarHBondContact O-N 3.02Å; S495-F497 VanDerWaalsContact O-N 3.1Å; S495-F497 WeakPolarHBondContact OG-CD2 3.4Å; S495-F497 PolarHBondContact OG-N 3.34Å; S495-V498 WeakPolarHBondContact O-CG2 3.49Å; S495-V498 PolarHBondContact O-N 3.37Å; S495-V498 VanDerWaalsContact O-N 3.15Å
496A94.1Very high94.1Very high12 Ų1246.6 Ų46.610%0.09924%0.236CC..Hα-helixtrans-55.3-29.1172.700000112.9V498 E499 L582 S585A496-V498 VanDerWaalsContact C-N 3.25Å; A496-V498 PolarHBondContact O-N 3.12Å; A496-E499 PolarHBondContact O-N 2.98Å; A496-L582 HydrophobicContact CB-CD2 3.85Å; A496-S585 VanDerWaalsContact CB-OG 3.32Å; A496-S585 WeakPolarHBondContact CB-OG 3.42Å
497F95.8Very high94.2Very high6 Ų646.5 Ų46.53%0.02624%0.235CC..Hα-helixtrans-66.9-22.5-178.3-62.7-58.4000114.1I484 S495 V534 T535 C588 I589 V590I484-F497 HydrophobicContact CD1-CB 4.22Å; I484-F497 HydrophobicContact CD1-CD2 4.34Å; S495-F497 PolarHBondContact O-N 3.02Å; S495-F497 VanDerWaalsContact O-N 3.1Å; S495-F497 WeakPolarHBondContact OG-CD2 3.4Å; S495-F497 PolarHBondContact OG-N 3.34Å; F497-V534 HydrophobicContact CB-CB 4.24Å; F497-V534 HydrophobicContact CB-CG2 3.74Å; F497-V534 WeakPolarHBondContact CD1-O 3.5Å; F497-T535 HydrophobicContact CD2-CG2 3.73Å; F497-T535 HydrophobicContact CE2-CG2 4.14Å; F497-T535 HydrophobicContact CG-CG2 4.19Å; F497-C588 HydrophobicContact CE1-CB 3.92Å; F497-C588 HydrophobicContact CZ-CB 4.18Å; F497-I589 WeakPolarHBondContact CZ-O 3.25Å; F497-V590 HydrophobicContact CD1-CG1 4.43Å; F497-V590 HydrophobicContact CE1-CG1 3.67Å
498V95.1Very high94.4Very high0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-100.6-8.4-178-600000113.4I484 S495 A496 V501 R502 V508 V534I484-V498 HydrophobicContact CB-CG1 4.42Å; I484-V498 HydrophobicContact CD1-CG1 4.13Å; I484-V498 HydrophobicContact CG2-CG1 4.02Å; S495-V498 WeakPolarHBondContact O-CG2 3.49Å; S495-V498 PolarHBondContact O-N 3.37Å; S495-V498 VanDerWaalsContact O-N 3.15Å; A496-V498 VanDerWaalsContact C-N 3.25Å; A496-V498 PolarHBondContact O-N 3.12Å; V498-V501 PolarHBondContact O-N 2.85Å; V498-R502 WeakPolarHBondContact O-CB 3.3Å; V498-R502 WeakPolarHBondContact O-CG 3.42Å; V498-R502 PolarHBondContact O-N 3.14Å; V498-V508 HydrophobicContact CG1-CB 4.39Å; V498-V508 HydrophobicContact CG1-CG1 3.94Å; V498-V508 HydrophobicContact CG1-CG2 4.29Å; V498-V534 HydrophobicContact CG1-CG2 4.07Å
499E93.3Very high94.6Very high36 Ų3639.1 Ų39.117%0.16820%0.195CC..Hα-helixtrans-57.9-57.2-174.5-67.5175.7176.600112.1A496 V501 R502 K503 V583 S584 S585A496-E499 PolarHBondContact O-N 2.98Å; E499-V501 VanDerWaalsContact C-N 3.34Å; E499-V501 PolarHBondContact O-N 3.28Å; E499-R502 PolarHBondContact O-N 3.5Å; E499-K503 WeakPolarHBondContact O-CB 3.31Å; E499-K503 PolarHBondContact O-N 2.77Å; E499-V583 HydrophobicContact CB-CB 3.92Å; E499-V583 HydrophobicContact CB-CG2 3.74Å; E499-V583 WeakPolarHBondContact OE2-CA 3.41Å; E499-V583 WeakPolarHBondContact OE2-CB 3.37Å; E499-V583 PolarHBondContact OE2-N 2.94Å; E499-S584 PolarHBondContact OE1-OG 2.93Å; E499-S584 PolarHBondContact OE2-N 3.23Å; E499-S584 PolarHBondContact OE2-OG 3.49Å; E499-S585 PolarHBondContact OE1-OG 2.98Å
500R92.6Very high94.7Very high32 Ų3237.2 Ų37.212%0.12119%0.186CC..Hα-helixtrans-68.2-36.4-179.8-173.772.157.6168.4-0.1112R502 K503 R504 L541 N580 R581 L582 V583R500-R502 VanDerWaalsContact C-N 3.31Å; R500-R502 PolarHBondContact O-N 3.26Å; R500-K503 PolarHBondContact O-N 2.84Å; R500-K503 VanDerWaalsContact O-N 3.16Å; R500-R504 HydrophobicContact CG-CG 4.48Å; R500-R504 PolarHBondContact O-N 2.82Å; R500-L541 HydrophobicContact CB-CD1 4.25Å; R500-L541 HydrophobicContact CG-CD1 3.81Å; R500-N580 WeakPolarHBondContact CG-O 3.45Å; R500-R581 VanDerWaalsContact CB-C 3.47Å; R500-R581 WeakPolarHBondContact CB-O 3.31Å; R500-R581 PolarHBondContact N-O 2.9Å; R500-L582 PolarHBondContact NE-O 3.18Å; R500-L582 PolarHBondContact NH2-O 3.31Å; R500-V583 HydrophobicContact CB-CG2 4.03Å
501V93.6Very high94.8Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-58.7-47.1179.3-170.60000109.9Y482 V498 E499 R504 G505 F506 V508 V534 L539 L541Y482-V501 HydrophobicContact CD2-CG1 4.3Å; Y482-V501 HydrophobicContact CG-CG1 4.42Å; V498-V501 PolarHBondContact O-N 2.85Å; E499-V501 VanDerWaalsContact C-N 3.34Å; E499-V501 PolarHBondContact O-N 3.28Å; V501-R504 PolarHBondContact O-N 3.42Å; V501-G505 PolarHBondContact O-N 3.07Å; V501-F506 HydrophobicContact CG1-CB 3.66Å; V501-F506 PolarHBondContact O-N 3.35Å; V501-V508 HydrophobicContact CB-CG2 3.93Å; V501-V508 HydrophobicContact CG1-CG2 3.36Å; V501-V534 HydrophobicContact CG2-CG1 4.04Å; V501-L539 HydrophobicContact CG2-CD2 4.18Å; V501-L541 HydrophobicContact CG1-CD2 4.43Å; V501-L541 HydrophobicContact CG2-CD1 4.19Å; V501-L541 HydrophobicContact CG2-CD2 4.08Å
502R92.8Very high94.9Very high96 Ų9630.1 Ų30.136%0.36215%0.152SC..Hα-helixtrans-67.2-41.2173.3-71.7173.2171.8174-2.2112.8A493 V498 E499 R500 R504 G505 Y510A493-R502 VanDerWaalsContact CA-NH2 3.26Å; A493-R502 PolarHBondContact O-NH1 2.91Å; A493-R502 PolarHBondContact O-NH2 2.7Å; V498-R502 WeakPolarHBondContact O-CB 3.3Å; V498-R502 WeakPolarHBondContact O-CG 3.42Å; V498-R502 PolarHBondContact O-N 3.14Å; E499-R502 PolarHBondContact O-N 3.5Å; R500-R502 VanDerWaalsContact C-N 3.31Å; R500-R502 PolarHBondContact O-N 3.26Å; R502-R504 PolarHBondContact O-N 3Å; R502-G505 WeakPolarHBondContact O-CA 3.47Å; R502-G505 PolarHBondContact O-N 3.16Å; R502-Y510 PolarHBondContact NE-OH 3.2Å; R502-Y510 PolarHBondContact NH2-OH 2.97Å
503K91.3Very high94.9Very high141 Ų14132.3 Ų32.361%0.61316%0.162SC*.Hα-helixtrans-59.6-33.3177.7-170.2176.21801790112.2E499 R500 G505 V583E499-K503 WeakPolarHBondContact O-CB 3.31Å; E499-K503 PolarHBondContact O-N 2.77Å; R500-K503 PolarHBondContact O-N 2.84Å; R500-K503 VanDerWaalsContact O-N 3.16Å; K503-G505 VanDerWaalsContact C-N 3.26Å; K503-V583 HydrophobicContact CD-CG1 4.26Å; K503-V583 HydrophobicContact CD-CG2 4.09Å
504R89.9Confident94.9Very high55 Ų5535.3 Ų35.321%0.20818%0.181CC..THydrogen-bonded Turntrans-83.94.1173.1-68.3-164.4175.8161.711.8114R500 V501 R502 F506 L541 P542 E543 E547R500-R504 HydrophobicContact CG-CG 4.48Å; R500-R504 PolarHBondContact O-N 2.82Å; V501-R504 PolarHBondContact O-N 3.42Å; R502-R504 PolarHBondContact O-N 3Å; R504-F506 VanDerWaalsContact C-N 3.32Å; R504-F506 HydrophobicContact CB-CD2 3.68Å; R504-F506 HydrophobicContact CB-CE2 3.61Å; R504-F506 PolarHBondContact O-N 3.4Å; R504-L541 PolarHBondContact NH1-O 3.45Å; R504-P542 PolarHBondContact NH1-O 3.35Å; R504-E543 IonicContact NH1-OE1 3.94Å; R504-E547 IonicContact CZ-OE2 3.78Å; R504-E547 IonicContact NE-OE1 3.31Å; R504-E547 IonicContact NE-OE2 3.36Å; R504-E547 IonicContact NH1-OE2 2.68Å; R504-E547 IonicContact NH2-OE1 2.73Å; R504-E547 IonicContact NH2-OE2 2.76Å; R504-E547 PolarHBondContact NH2-OE2 3.41Å
505G92.4Very high95Very high31 Ų3131 Ų3132%0.3216%0.157SC..THydrogen-bonded Turntrans7418.6176.300000114.7K475 V501 R502 K503K475-G505 WeakPolarHBondContact CE-O 3.43Å; V501-G505 PolarHBondContact O-N 3.07Å; R502-G505 WeakPolarHBondContact O-CA 3.47Å; R502-G505 PolarHBondContact O-N 3.16Å; K503-G505 VanDerWaalsContact C-N 3.26Å
506F95.4Very high95.1Very high6 Ų630.3 Ų30.33%0.02615%0.152CC..  trans-84.1143.6173.2-61.9-62.2000111.2K475 Q478 Y482 V501 R504 L541 P542K475-F506 HydrophobicContact CB-CD1 4.42Å; K475-F506 HydrophobicContact CB-CE1 3.98Å; K475-F506 HydrophobicContact CG-CD1 3.94Å; K475-F506 HydrophobicContact CG-CE1 3.87Å; Q478-F506 HydrophobicContact CB-CD1 4.28Å; Q478-F506 HydrophobicContact CB-CE1 4.04Å; Q478-F506 HydrophobicContact CG-CD1 4.11Å; Q478-F506 HydrophobicContact CG-CE1 4.28Å; Y482-F506 HydrophobicContact CD2-CB 4.12Å; Y482-F506 HydrophobicContact CD2-CG 4.49Å; Y482-F506 HydrophobicContact CE2-CB 4.21Å; Y482-F506 HydrophobicContact CE2-CD1 4.31Å; Y482-F506 HydrophobicContact CE2-CD2 4.47Å; Y482-F506 HydrophobicContact CE2-CG 4.07Å; V501-F506 HydrophobicContact CG1-CB 3.66Å; V501-F506 PolarHBondContact O-N 3.35Å; R504-F506 VanDerWaalsContact C-N 3.32Å; R504-F506 HydrophobicContact CB-CD2 3.68Å; R504-F506 HydrophobicContact CB-CE2 3.61Å; R504-F506 PolarHBondContact O-N 3.4Å; F506-L541 HydrophobicContact CD2-CD2 4.33Å; F506-P542 HydrophobicContact CE1-CG 4.19Å; F506-P542 HydrophobicContact CE2-CG 4.15Å; F506-P542 HydrophobicContact CZ-CB 3.96Å; F506-P542 VanDerWaalsContact CZ-CD 3.49Å; F506-P542 HydrophobicContact CZ-CG 3.49Å; F506-P542 VanDerWaalsContact CZ-CG 3.49Å
507E96.9Very high95.1Very high3 Ų330.2 Ų30.21%0.01415%0.15CC..  trans-79.4143.8174.3-168.9173175.200110.2S457 S458 Q459 Y470 R473S457-E507 WeakPolarHBondContact CB-OE1 3.24Å; S457-E507 PolarHBondContact OG-OE1 2.9Å; S458-E507 WeakPolarHBondContact OG-CA 3.08Å; Q459-E507 HydrophobicContact CB-CG 4.2Å; Q459-E507 HydrophobicContact CG-CB 4.27Å; Q459-E507 HydrophobicContact CG-CG 3.99Å; Y470-E507 HydrophobicContact CD2-CB 4.11Å; Y470-E507 HydrophobicContact CD2-CG 3.76Å; Y470-E507 HydrophobicContact CE2-CB 3.59Å; Y470-E507 HydrophobicContact CE2-CG 3.64Å; Y470-E507 PolarHBondContact OH-O 3.31Å; R473-E507 IonicContact CZ-OE1 2.66Å; R473-E507 IonicContact CZ-OE2 3.87Å; R473-E507 IonicContact NE-OE1 3.56Å; R473-E507 IonicContact NE-OE2 3.53Å; R473-E507 PolarHBondContact NE-OE2 2.86Å; R473-E507 IonicContact NH2-OE1 2.67Å; R473-E507 PolarHBondContact NH2-OE1 2.64Å; R473-E507 IonicContact NH2-OE2 3.16Å; R473-E507 PolarHBondContact NH2-OE2 3.44Å
508V97.7Very high95.1Very high0 Ų032.4 Ų32.40%016%0.158CC..  trans-128130.7175-173.90000109.2S457 S458 Y482 I484 V498 V501 Y510S457-V508 CarbonylContact C-O 3.51Å; S457-V508 WeakPolarHBondContact CA-O 3.47Å; S457-V508 WeakPolarHBondContact CB-O 3.39Å; S458-V508 PolarHBondContact N-O 3.25Å; S458-V508 PolarHBondContact OG-N 3.41Å; Y482-V508 WeakPolarHBondContact O-CA 3.5Å; I484-V508 HydrophobicContact CB-CG1 4.42Å; I484-V508 HydrophobicContact CG2-CG1 3.88Å; V498-V508 HydrophobicContact CG1-CB 4.39Å; V498-V508 HydrophobicContact CG1-CG1 3.94Å; V498-V508 HydrophobicContact CG1-CG2 4.29Å; V501-V508 HydrophobicContact CB-CG2 3.93Å; V501-V508 HydrophobicContact CG1-CG2 3.36Å; V508-Y510 HydrophobicContact CB-CE1 4.33Å; V508-Y510 HydrophobicContact CG1-CE1 4.26Å
509L98.3Very high95.1Very high0 Ų032.4 Ų32.40%016%0.158CC..EExtended strand (participates in β ladder)trans-80.8137.8173.1-61.5176.8000111.5T465 L467 Y470 I481 Y482 Y483 I484T465-L509 HydrophobicContact CG2-CD2 4.35Å; L467-L509 HydrophobicContact CD2-CD1 3.43Å; L467-L509 VanDerWaalsContact CD2-CD1 3.43Å; Y470-L509 HydrophobicContact CD2-CD1 4.38Å; Y470-L509 HydrophobicContact CD2-CD2 3.63Å; Y470-L509 HydrophobicContact CD2-CG 3.87Å; Y470-L509 HydrophobicContact CE2-CD2 4.19Å; Y470-L509 HydrophobicContact CE2-CG 4Å; Y470-L509 HydrophobicContact CG-CD2 4.41Å; I481-L509 HydrophobicContact CG2-CD1 3.63Å; I481-L509 HydrophobicContact CG2-CG 4.38Å; Y482-L509 PolarHBondContact O-N 3.1Å; Y483-L509 WeakPolarHBondContact CA-O 2.9Å; I484-L509 PolarHBondContact N-O 2.67Å
510Y98.1Very high95.2Very high7 Ų731.3 Ų31.33%0.02715%0.154CC..EExtended strand (participates in β ladder)trans-103.1118.3177.4-57.6-39.3000110.6H456 S457 S458 I484 K489 V492 A493 R502 V508H456-Y510 HydrophobicContact CB-CD2 4.21Å; H456-Y510 PolarHBondContact O-N 2.99Å; S457-Y510 WeakPolarHBondContact O-CE2 3.13Å; S458-Y510 VanDerWaalsContact CA-OH 3.29Å; S458-Y510 WeakPolarHBondContact CA-OH 3.41Å; S458-Y510 WeakPolarHBondContact CB-OH 3.37Å; I484-Y510 HydrophobicContact CG2-CD1 3.5Å; I484-Y510 VanDerWaalsContact CG2-CD1 3.5Å; I484-Y510 HydrophobicContact CG2-CE1 3.85Å; K489-Y510 HydrophobicContact CG-CD2 4.38Å; V492-Y510 HydrophobicContact CB-CD1 4.27Å; V492-Y510 HydrophobicContact CG2-CD1 3.49Å; V492-Y510 VanDerWaalsContact CG2-CD1 3.49Å; V492-Y510 HydrophobicContact CG2-CE1 4.28Å; V492-Y510 HydrophobicContact CG2-CG 3.76Å; A493-Y510 HydrophobicContact CB-CE2 4.36Å; R502-Y510 PolarHBondContact NE-OH 3.2Å; R502-Y510 PolarHBondContact NH2-OH 2.97Å; V508-Y510 HydrophobicContact CB-CE1 4.33Å; V508-Y510 HydrophobicContact CG1-CE1 4.26Å
511M98.1Very high95.2Very high1 Ų134.9 Ų34.91%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-114.4109-179.8-69.6-177.1-177.100109Y455 Y483 I484 T485 G486 D516 V520Y455-M511 HydrophobicContact CD1-CG 3.88Å; Y455-M511 HydrophobicContact CE1-CE 4.21Å; Y455-M511 HydrophobicContact CE1-CG 3.79Å; Y455-M511 HydrophobicContact CE1-SD 4.49Å; Y455-M511 HydrophobicContact CE2-CE 4.21Å; Y483-M511 HydrophobicContact CD2-CE 4.21Å; Y483-M511 HydrophobicContact CD2-SD 3.72Å; Y483-M511 HydrophobicContact CE2-SD 4.32Å; Y483-M511 HydrophobicContact CG-CE 4.08Å; Y483-M511 HydrophobicContact CG-SD 4.2Å; I484-M511 PolarHBondContact O-N 3.37Å; T485-M511 CarbonylContact C-O 3.49Å; T485-M511 VanDerWaalsContact CA-O 3.24Å; T485-M511 WeakPolarHBondContact CA-O 3.44Å; T485-M511 HydrophobicContact CG2-CB 3.75Å; T485-M511 HydrophobicContact CG2-SD 4.08Å; G486-M511 PolarHBondContact N-O 3.3Å; M511-D516 HydrophobicContact CB-CB 3.73Å; M511-D516 HydrophobicContact CG-CB 4.24Å; M511-D516 HydrophobicContact SD-CB 4.33Å; M511-V520 HydrophobicContact CE-CG2 4.3Å; M511-V520 HydrophobicContact SD-CB 4.22Å; M511-V520 HydrophobicContact SD-CG2 4.34Å
512T96.6Very high95.3Very high44 Ų4438.1 Ų38.127%0.2719%0.187SC..  trans-120.20.7-165.259.80000113.3G486 K489 V492 D516G486-T512 WeakPolarHBondContact O-CA 3.2Å; K489-T512 HydrophobicContact CB-CG2 4.35Å; V492-T512 HydrophobicContact CG2-CG2 4.39Å; T512-D516 PolarHBondContact N-OD2 2.97Å; T512-D516 VanDerWaalsContact N-OD2 3.13Å
513E96.3Very high95.5Very high48 Ų4833.8 Ų33.822%0.22417%0.171CC..SBendtrans-100.8143.8174.8-62.8-170111.200110.6K433 K436 I515 D516K433-E513 WeakPolarHBondContact CE-OE1 3.11Å; K436-E513 IonicContact NZ-OE2 2.64Å; K436-E513 PolarHBondContact NZ-OE2 3.43Å; E513-I515 HydrophobicContact CB-CG2 4.07Å; E513-I515 PolarHBondContact O-N 3.21Å; E513-I515 VanDerWaalsContact O-N 3.12Å; E513-D516 PolarHBondContact N-OD2 2.91Å; E513-D516 VanDerWaalsContact O-CB 3.24Å; E513-D516 WeakPolarHBondContact O-CB 3.36Å; E513-D516 PolarHBondContact O-N 3.37Å
514P95.3Very high95.5Very high78 Ų7834.8 Ų34.851%0.50618%0.175SC..Hα-helixtrans-54.5-34.5176.5-29.236.1000114D516 E517 Y518 I603P514-D516 PolarHBondContact O-N 3.25Å; P514-E517 PolarHBondContact O-N 2.85Å; P514-Y518 WeakPolarHBondContact O-CD2 3.48Å; P514-I603 HydrophobicContact CB-CD1 3.85Å; P514-I603 HydrophobicContact CB-CG1 4.07Å; P514-I603 HydrophobicContact CB-CG2 4.42Å
515I96Very high95.7Very high38 Ų3837.5 Ų37.520%0.19519%0.191CC..Hα-helixtrans-67.7-18.9178.7-163.9166.4000113K433 K436 L437 E513 E517 Y518 C519K433-I515 HydrophobicContact CG-CG2 4.49Å; K433-I515 WeakPolarHBondContact O-CD1 2.96Å; K436-I515 HydrophobicContact CB-CD1 4.04Å; K436-I515 HydrophobicContact CB-CG1 4.04Å; K436-I515 HydrophobicContact CB-CG2 4.03Å; K436-I515 HydrophobicContact CD-CG2 3.6Å; K436-I515 HydrophobicContact CG-CG2 4.46Å; L437-I515 HydrophobicContact CB-CD1 4.16Å; E513-I515 HydrophobicContact CB-CG2 4.07Å; E513-I515 PolarHBondContact O-N 3.21Å; E513-I515 VanDerWaalsContact O-N 3.12Å; I515-E517 VanDerWaalsContact C-N 3.28Å; I515-E517 PolarHBondContact O-N 3.09Å; I515-Y518 PolarHBondContact O-N 2.96Å; I515-C519 WeakPolarHBondContact O-CB 3.26Å; I515-C519 PolarHBondContact O-N 3.08Å
516D97.6Very high96Very high2 Ų236.6 Ų36.61%0.01118%0.178CC..Hα-helixtrans-64.1-34177.9-69.9-37.4000112.3K436 Y455 M511 T512 E513 P514 Y518 C519 V520K436-D516 VanDerWaalsContact CD-OD1 3.24Å; K436-D516 WeakPolarHBondContact CD-OD1 3.49Å; K436-D516 WeakPolarHBondContact CE-OD1 3.39Å; K436-D516 IonicContact NZ-OD1 2.66Å; K436-D516 PolarHBondContact NZ-OD1 2.77Å; K436-D516 IonicContact NZ-OD2 2.69Å; K436-D516 PolarHBondContact NZ-OD2 3.05Å; Y455-D516 WeakPolarHBondContact CE1-OD1 3.23Å; M511-D516 HydrophobicContact CB-CB 3.73Å; M511-D516 HydrophobicContact CG-CB 4.24Å; M511-D516 HydrophobicContact SD-CB 4.33Å; T512-D516 PolarHBondContact N-OD2 2.97Å; T512-D516 VanDerWaalsContact N-OD2 3.13Å; E513-D516 PolarHBondContact N-OD2 2.91Å; E513-D516 VanDerWaalsContact O-CB 3.24Å; E513-D516 WeakPolarHBondContact O-CB 3.36Å; E513-D516 PolarHBondContact O-N 3.37Å; P514-D516 PolarHBondContact O-N 3.25Å; D516-Y518 VanDerWaalsContact C-N 3.33Å; D516-Y518 PolarHBondContact O-N 3.14Å; D516-C519 WeakPolarHBondContact O-CB 3.47Å; D516-C519 PolarHBondContact O-N 2.75Å; D516-V520 WeakPolarHBondContact O-CG1 3.35Å; D516-V520 PolarHBondContact O-N 2.73Å
517E95.1Very high95.9Very high10 Ų1042.2 Ų42.25%0.04721%0.208CC..Hα-helixtrans-61.3-42174.9-77.8-74.7177.500111.6T485 P514 I515 Q521 T597 N599 M600 I603T485-E517 WeakPolarHBondContact CB-OE1 3.28Å; T485-E517 HydrophobicContact CG2-CG 4.37Å; T485-E517 PolarHBondContact OG1-OE1 3.18Å; P514-E517 PolarHBondContact O-N 2.85Å; I515-E517 VanDerWaalsContact C-N 3.28Å; I515-E517 PolarHBondContact O-N 3.09Å; E517-Q521 WeakPolarHBondContact O-CB 3.36Å; E517-Q521 PolarHBondContact O-N 3.1Å; E517-T597 PolarHBondContact OE1-OG1 2.93Å; E517-T597 PolarHBondContact OE2-OG1 3.49Å; E517-N599 WeakPolarHBondContact CG-ND2 3.5Å; E517-N599 VanDerWaalsContact OE1-CB 3.31Å; E517-N599 WeakPolarHBondContact OE1-CB 3.37Å; E517-N599 PolarHBondContact OE1-ND2 3.02Å; E517-M600 HydrophobicContact CB-CE 3.56Å; E517-M600 HydrophobicContact CB-SD 4.14Å; E517-M600 HydrophobicContact CG-CB 4.41Å; E517-I603 HydrophobicContact CB-CD1 4.27Å; E517-I603 HydrophobicContact CG-CD1 3.85Å
518Y94.4Very high95.8Very high52 Ų5244.6 Ų44.620%0.20423%0.234CC..Hα-helixtrans-72-33.1176.2-61.8-89.4000112.4H440 P514 I515 D516 I603 M604H440-Y518 PolarHBondContact ND1-O 3.25Å; P514-Y518 WeakPolarHBondContact O-CD2 3.48Å; I515-Y518 PolarHBondContact O-N 2.96Å; D516-Y518 VanDerWaalsContact C-N 3.33Å; D516-Y518 PolarHBondContact O-N 3.14Å; Y518-I603 HydrophobicContact CE2-CG2 4.11Å; Y518-M604 HydrophobicContact CE1-CE 3.49Å; Y518-M604 VanDerWaalsContact CE1-CE 3.49Å; Y518-M604 VanDerWaalsContact OH-CE 3.25Å; Y518-M604 WeakPolarHBondContact OH-CE 3.26Å
519C96.6Very high95.7Very high1 Ų148.1 Ų48.11%0.00725%0.249CC..Hα-helixtrans-66.6-53176.9-179.20000111K436 I439 I515 D516 Q521 Q522 L523K436-C519 HydrophobicContact CB-CB 4.37Å; I439-C519 VanDerWaalsContact CG2-SG 3.58Å; I515-C519 WeakPolarHBondContact O-CB 3.26Å; I515-C519 PolarHBondContact O-N 3.08Å; D516-C519 WeakPolarHBondContact O-CB 3.47Å; D516-C519 PolarHBondContact O-N 2.75Å; C519-Q521 VanDerWaalsContact C-N 3.26Å; C519-Q521 PolarHBondContact O-N 3.15Å; C519-Q522 PolarHBondContact O-N 2.91Å; C519-Q522 VanDerWaalsContact O-N 3.08Å; C519-L523 PolarHBondContact O-N 2.81Å
520V95.1Very high95.6Very high12 Ų1251.2 Ų51.27%0.07327%0.268CS..Hα-helixtrans-71.2-21.3-176.480.10000113Y483 M511 D516 Q522 L531Y483-V520 HydrophobicContact CD1-CG2 4.25Å; Y483-V520 HydrophobicContact CD2-CG2 4.33Å; Y483-V520 HydrophobicContact CE1-CG2 3.63Å; Y483-V520 HydrophobicContact CE2-CB 4.37Å; Y483-V520 HydrophobicContact CE2-CG1 3.94Å; Y483-V520 HydrophobicContact CE2-CG2 3.75Å; Y483-V520 WeakPolarHBondContact OH-CG2 3.32Å; M511-V520 HydrophobicContact CE-CG2 4.3Å; M511-V520 HydrophobicContact SD-CB 4.22Å; M511-V520 HydrophobicContact SD-CG2 4.34Å; D516-V520 WeakPolarHBondContact O-CG1 3.35Å; D516-V520 PolarHBondContact O-N 2.73Å; V520-Q522 PolarHBondContact O-N 3.38Å; V520-L531 HydrophobicContact CG2-CD2 3.98Å
521Q92.7Very high95.5Very high108 Ų10852 Ų5251%0.50527%0.272SS..Hα-helixtrans-61.4-34.6169.8-171.3179.99.500112.3E517 C519E517-Q521 WeakPolarHBondContact O-CB 3.36Å; E517-Q521 PolarHBondContact O-N 3.1Å; C519-Q521 VanDerWaalsContact C-N 3.26Å; C519-Q521 PolarHBondContact O-N 3.15Å
522Q95.8Very high95.4Very high67 Ų6753.8 Ų53.831%0.31328%0.284SS..Hα-helixtrans-93.4-30.6179-59.5-57.8-31.800112.6I439 C519 V520 K524I439-Q522 HydrophobicContact CG2-CB 4.45Å; C519-Q522 PolarHBondContact O-N 2.91Å; C519-Q522 VanDerWaalsContact O-N 3.08Å; V520-Q522 PolarHBondContact O-N 3.38Å; Q522-K524 PolarHBondContact O-N 2.9Å; Q522-K524 VanDerWaalsContact O-N 3.1Å
523L95.4Very high95.4Very high6 Ų652 Ų523%0.03127%0.273CS..  trans-84.175.8178.7-170.565.7000111.4I439 L453 L467 C519 L531I439-L523 HydrophobicContact CG2-CB 4.37Å; L453-L523 HydrophobicContact CD1-CD2 3.76Å; L467-L523 HydrophobicContact CD1-CD2 3.91Å; C519-L523 PolarHBondContact O-N 2.81Å; L523-L531 HydrophobicContact CD2-CD2 3.84Å; L523-L531 HydrophobicContact CG-CD1 4.3Å; L523-L531 HydrophobicContact CG-CD2 4Å
524K91.3Very high95.4Very high161 Ų16149.7 Ų49.770%0.726%0.262SS*.  trans-74.1-31.8-178.6-62.8-176.8-179.3179.70113.8Q522 L531Q522-K524 PolarHBondContact O-N 2.9Å; Q522-K524 VanDerWaalsContact O-N 3.1Å; K524-L531 PolarHBondContact O-N 2.65Å; K524-L531 VanDerWaalsContact O-N 3.15Å
525E95.4Very high95.4Very high113 Ų11346.6 Ų46.653%0.52824%0.242SC..EExtended strand (participates in β ladder)trans-144.9146.1-175.1-170-171.8111.300109.9G528 K529E525-G528 WeakPolarHBondContact OE1-CA 3.26Å; E525-G528 PolarHBondContact OE1-N 2.72Å; E525-K529 CarbonylContact C-O 3.48Å; E525-K529 VanDerWaalsContact CA-O 3.31Å; E525-K529 WeakPolarHBondContact CA-O 3.49Å; E525-K529 WeakPolarHBondContact CG-O 3.28Å
526F97.3Very high95.2Very high12 Ų1247.4 Ų47.45%0.05324%0.244CC..EExtended strand (participates in β ladder)trans-135.3122.3170.5-178.2-96.1000108.9S450 E451 L467 L471 I481 G528 K529 L531S450-F526 VanDerWaalsContact OG-CD2 3.3Å; S450-F526 WeakPolarHBondContact OG-CD2 3.46Å; S450-F526 WeakPolarHBondContact OG-CE2 3.19Å; E451-F526 HydrophobicContact CG-CE2 4.11Å; E451-F526 HydrophobicContact CG-CZ 4.31Å; L467-F526 HydrophobicContact CB-CD1 3.61Å; L467-F526 HydrophobicContact CB-CD2 4.26Å; L467-F526 HydrophobicContact CB-CE1 3.41Å; L467-F526 VanDerWaalsContact CB-CE1 3.41Å; L467-F526 HydrophobicContact CB-CE2 4.07Å; L467-F526 HydrophobicContact CB-CG 4.04Å; L467-F526 HydrophobicContact CB-CZ 3.65Å; L467-F526 HydrophobicContact CD1-CB 4.3Å; L467-F526 HydrophobicContact CD1-CD1 4.28Å; L467-F526 HydrophobicContact CD1-CD2 3.71Å; L467-F526 HydrophobicContact CD1-CE2 4.06Å; L467-F526 HydrophobicContact CD1-CG 3.83Å; L467-F526 HydrophobicContact CD1-CZ 4.49Å; L471-F526 HydrophobicContact CD1-CD1 3.78Å; L471-F526 HydrophobicContact CD1-CE1 3.66Å; L471-F526 HydrophobicContact CG-CD1 4.26Å; L471-F526 HydrophobicContact CG-CE1 4.25Å; I481-F526 HydrophobicContact CD1-CB 4.02Å; I481-F526 HydrophobicContact CD1-CD1 4.29Å; F526-G528 VanDerWaalsContact C-N 3.34Å; F526-G528 PolarHBondContact O-N 2.99Å; F526-K529 PolarHBondContact N-O 2.8Å; F526-K529 WeakPolarHBondContact O-CB 3.5Å; F526-K529 PolarHBondContact O-N 2.69Å; F526-L531 HydrophobicContact CB-CD1 4.12Å
527D94.8Very high95Very high123 Ų12349.9 Ų49.966%0.65826%0.255SS*.THydrogen-bonded Turntrans47.147.7-178.5-158.335.5000114.6L471 K529L471-D527 HydrophobicContact CD1-CB 3.56Å; D527-K529 PolarHBondContact O-N 3.42Å
528G93.8Very high94.6Very high54 Ų5452.5 Ų52.556%0.55729%0.285SS*.THydrogen-bonded Turntrans78.4-0.8-179.500000115.1E525 F526E525-G528 WeakPolarHBondContact OE1-CA 3.26Å; E525-G528 PolarHBondContact OE1-N 2.72Å; F526-G528 VanDerWaalsContact C-N 3.34Å; F526-G528 PolarHBondContact O-N 2.99Å
529K96.1Very high94.4Very high74 Ų7450.2 Ų50.232%0.32228%0.276SS..EExtended strand (participates in β ladder)trans-106.2127178.6-55.2-59.2-176.8172.60110.9L471 M474 K479 I481 E525 F526 D527L471-K529 HydrophobicContact CD2-CB 4.25Å; L471-K529 HydrophobicContact CD2-CG 3.75Å; M474-K529 HydrophobicContact CE-CD 4.1Å; M474-K529 HydrophobicContact CE-CG 4.25Å; M474-K529 HydrophobicContact SD-CD 4.49Å; M474-K529 HydrophobicContact SD-CG 4.14Å; K479-K529 WeakPolarHBondContact O-CD 3.26Å; I481-K529 HydrophobicContact CD1-CB 4.21Å; I481-K529 HydrophobicContact CG1-CB 4.03Å; E525-K529 CarbonylContact C-O 3.48Å; E525-K529 VanDerWaalsContact CA-O 3.31Å; E525-K529 WeakPolarHBondContact CA-O 3.49Å; E525-K529 WeakPolarHBondContact CG-O 3.28Å; F526-K529 PolarHBondContact N-O 2.8Å; F526-K529 WeakPolarHBondContact O-CB 3.5Å; F526-K529 PolarHBondContact O-N 2.69Å; D527-K529 PolarHBondContact O-N 3.42Å
530T96.3Very high93.9Very high65 Ų6558.1 Ų58.140%0.39931%0.313SS..EExtended strand (participates in β ladder)trans-73.5146.217655.80000111.1S480 I481S480-T530 CarbonylContact C-O 3.59Å; S480-T530 WeakPolarHBondContact CA-O 3.49Å; S480-T530 VanDerWaalsContact CB-O 3.32Å; S480-T530 WeakPolarHBondContact CB-O 3.33Å; S480-T530 PolarHBondContact OG-OG1 3.42Å; I481-T530 PolarHBondContact N-O 2.93Å
531L96.6Very high93.5Very high22 Ų2257.9 Ų57.912%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-91.4124.1173.5-73.577.6000109.2I481 Y483 V520 L523 K524 F526I481-L531 HydrophobicContact CB-CG 4.26Å; I481-L531 HydrophobicContact CD1-CD1 4.27Å; I481-L531 HydrophobicContact CD1-CG 4.41Å; Y483-L531 HydrophobicContact CD1-CB 4.05Å; Y483-L531 HydrophobicContact CE1-CB 3.82Å; V520-L531 HydrophobicContact CG2-CD2 3.98Å; L523-L531 HydrophobicContact CD2-CD2 3.84Å; L523-L531 HydrophobicContact CG-CD1 4.3Å; L523-L531 HydrophobicContact CG-CD2 4Å; K524-L531 PolarHBondContact O-N 2.65Å; K524-L531 VanDerWaalsContact O-N 3.15Å; F526-L531 HydrophobicContact CB-CD1 4.12Å
532V95.8Very high93Very high40 Ų4054.6 Ų54.624%0.24230%0.299CS..EExtended strand (participates in β ladder)trans-120.7120.7-176.9176.40000109.9I481 Y482 Y483 L539I481-V532 PolarHBondContact O-N 3.39Å; Y482-V532 WeakPolarHBondContact CA-O 3.28Å; Y482-V532 HydrophobicContact CD1-CB 4.31Å; Y482-V532 HydrophobicContact CD1-CG1 4.43Å; Y483-V532 WeakPolarHBondContact CD1-O 3.42Å; Y483-V532 PolarHBondContact N-O 2.91Å; Y483-V532 VanDerWaalsContact N-O 3.08Å; V532-L539 HydrophobicContact CG1-CD1 3.91Å
533S96.2Very high92.2Very high5 Ų553.7 Ų53.74%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-74.7130.6172.61770000110.2Y483 T535 K536Y483-S533 VanDerWaalsContact CE1-N 3.32Å; Y483-S533 WeakPolarHBondContact O-CA 3.5Å; S533-T535 PolarHBondContact O-N 3.24Å; S533-T535 PolarHBondContact OG-N 3.18Å; S533-T535 VanDerWaalsContact OG-N 3.1Å; S533-T535 PolarHBondContact OG-OG1 2.99Å; S533-K536 PolarHBondContact O-N 3.42Å
534V95.9Very high91.6Very high0 Ų057.5 Ų57.50%032%0.315CS..THydrogen-bonded Turntrans-73.9-5173.4-57.60000113.2Y482 Y483 I484 F497 V498 V501 L539 R581Y482-V534 HydrophobicContact CD1-CG1 4.44Å; Y483-V534 WeakPolarHBondContact O-CG2 3.23Å; Y483-V534 PolarHBondContact O-N 2.64Å; I484-V534 HydrophobicContact CB-CG2 3.68Å; I484-V534 HydrophobicContact CD1-CG2 4.11Å; I484-V534 HydrophobicContact CG1-CG2 4.17Å; F497-V534 HydrophobicContact CB-CB 4.24Å; F497-V534 HydrophobicContact CB-CG2 3.74Å; F497-V534 WeakPolarHBondContact CD1-O 3.5Å; V498-V534 HydrophobicContact CG1-CG2 4.07Å; V501-V534 HydrophobicContact CG2-CG1 4.04Å; V534-L539 HydrophobicContact CB-CD2 4.16Å; V534-L539 HydrophobicContact CG1-CD1 4.27Å; V534-L539 HydrophobicContact CG1-CD2 4.24Å; V534-R581 PolarHBondContact O-NH1 2.98Å
535T95.1Very high91.3Very high13 Ų1356.6 Ų56.68%0.0831%0.313CS..THydrogen-bonded Turntrans-94.6-9.3178.669.50000113.6I484 F497 S533 T591I484-T535 HydrophobicContact CD1-CG2 4.07Å; I484-T535 HydrophobicContact CG1-CG2 3.83Å; F497-T535 HydrophobicContact CD2-CG2 3.73Å; F497-T535 HydrophobicContact CE2-CG2 4.14Å; F497-T535 HydrophobicContact CG-CG2 4.19Å; S533-T535 PolarHBondContact O-N 3.24Å; S533-T535 PolarHBondContact OG-N 3.18Å; S533-T535 VanDerWaalsContact OG-N 3.1Å; S533-T535 PolarHBondContact OG-OG1 2.99Å; T535-T591 PolarHBondContact O-N 3.34Å; T535-T591 VanDerWaalsContact O-N 3.08Å
536K93Very high90.8Very high55 Ų5558.9 Ų58.924%0.23932%0.324CS..BIsolated β-bridgetrans-91.3154.2177.8-70.9-172.2171.5-164.70111.9S533 R581 T591 T593S533-K536 PolarHBondContact O-N 3.42Å; K536-R581 VanDerWaalsContact O-CZ 3.31Å; K536-R581 PolarHBondContact O-NH1 3.2Å; K536-R581 PolarHBondContact O-NH2 2.9Å; K536-T591 CarbonylContact C-O 3.59Å; K536-T591 VanDerWaalsContact CA-O 3.31Å; K536-T591 WeakPolarHBondContact CA-O 3.49Å; K536-T593 PolarHBondContact NZ-O 2.93Å
537E92Very high90.2Very high55 Ų5561.3 Ų61.326%0.25734%0.336SS..SBendtrans-59.2160.4171.472.8179.9147.200111.8V590 T591 S592 T593 H623E537-V590 HydrophobicContact CB-CG2 4.1Å; E537-T591 PolarHBondContact N-O 2.67Å; E537-S592 VanDerWaalsContact OE1-CA 3.24Å; E537-S592 WeakPolarHBondContact OE1-CA 3.48Å; E537-S592 WeakPolarHBondContact OE1-CB 3.16Å; E537-S592 PolarHBondContact OE1-OG 3.07Å; E537-T593 WeakPolarHBondContact CG-OG1 3.49Å; E537-T593 PolarHBondContact OE1-N 2.94Å; E537-T593 PolarHBondContact OE1-OG1 3.33Å; E537-H623 IonicContact OE1-NE2 3.65Å; E537-H623 IonicContact OE2-CD2 3.85Å; E537-H623 PolarHBondContact OE2-CD2 2.99Å; E537-H623 IonicContact OE2-NE2 3.49Å; E537-H623 PolarHBondContact OE2-NE2 3.36Å
538G86.8Confident89.8Confident64 Ų6459.5 Ų59.566%0.6632%0.322SS*.  trans71.329.2175.600000114.3E540G538-E540 PolarHBondContact O-N 3.45Å
539L89.8Confident89.6Confident4 Ų463.7 Ų63.72%0.02133%0.325CS..  trans-66.5104.8173.3179.165.1000109.7Y482 V501 V532 V534 L541 N580 R581Y482-L539 HydrophobicContact CD1-CD1 3.93Å; Y482-L539 HydrophobicContact CE1-CD1 3.79Å; V501-L539 HydrophobicContact CG2-CD2 4.18Å; V532-L539 HydrophobicContact CG1-CD1 3.91Å; V534-L539 HydrophobicContact CB-CD2 4.16Å; V534-L539 HydrophobicContact CG1-CD1 4.27Å; V534-L539 HydrophobicContact CG1-CD2 4.24Å; L539-L541 HydrophobicContact CD1-CD2 4.3Å; L539-L541 HydrophobicContact CD2-CD1 4.45Å; L539-L541 HydrophobicContact CD2-CD2 4.32Å; L539-L541 HydrophobicContact CD2-CG 4.3Å; L539-L541 HydrophobicContact CG-CD2 4.19Å; L539-L541 HydrophobicContact CG-CG 4.15Å; L539-N580 PolarHBondContact O-ND2 3.47Å; L539-R581 HydrophobicContact CD2-CB 4.02Å
540E86.3Confident89.3Confident167 Ų16764.7 Ų64.778%0.7833%0.329SS*.  trans-86.6111.4172.3-67-175.2-179.500109.9Y482 G538Y482-E540 PolarHBondContact OH-O 3.31Å; G538-E540 PolarHBondContact O-N 3.45Å
541L86.2Confident88.9Confident8 Ų863.4 Ų63.44%0.04232%0.319CS..  trans-101.2141.3166.8-62177.6000107.8Y482 R500 V501 R504 F506 L539 E543Y482-L541 HydrophobicContact CE1-CD2 4.04Å; Y482-L541 HydrophobicContact CE2-CD2 4.35Å; R500-L541 HydrophobicContact CB-CD1 4.25Å; R500-L541 HydrophobicContact CG-CD1 3.81Å; V501-L541 HydrophobicContact CG1-CD2 4.43Å; V501-L541 HydrophobicContact CG2-CD1 4.19Å; V501-L541 HydrophobicContact CG2-CD2 4.08Å; R504-L541 PolarHBondContact NH1-O 3.45Å; F506-L541 HydrophobicContact CD2-CD2 4.33Å; L539-L541 HydrophobicContact CD1-CD2 4.3Å; L539-L541 HydrophobicContact CD2-CD1 4.45Å; L539-L541 HydrophobicContact CD2-CD2 4.32Å; L539-L541 HydrophobicContact CD2-CG 4.3Å; L539-L541 HydrophobicContact CG-CD2 4.19Å; L539-L541 HydrophobicContact CG-CG 4.15Å; L541-E543 WeakPolarHBondContact O-CG 3.49Å; L541-E543 PolarHBondContact O-N 2.78Å; L541-E543 VanDerWaalsContact O-N 3.11Å
542P82.7Confident88.6Confident38 Ų3867.4 Ų67.425%0.24734%0.337CS..  trans-52.5120.8171.8-29.536.6000111.1N477 R504 F506N477-P542 HydrophobicContact CB-CB 4.27Å; N477-P542 HydrophobicContact CB-CG 4.37Å; N477-P542 VanDerWaalsContact ND2-CB 3.35Å; N477-P542 WeakPolarHBondContact ND2-CB 3.35Å; N477-P542 VanDerWaalsContact O-CG 3.3Å; N477-P542 WeakPolarHBondContact O-CG 3.48Å; R504-P542 PolarHBondContact NH1-O 3.35Å; F506-P542 HydrophobicContact CE1-CG 4.19Å; F506-P542 HydrophobicContact CE2-CG 4.15Å; F506-P542 HydrophobicContact CZ-CB 3.96Å; F506-P542 VanDerWaalsContact CZ-CD 3.49Å; F506-P542 HydrophobicContact CZ-CG 3.49Å; F506-P542 VanDerWaalsContact CZ-CG 3.49Å
543E79.4Confident88.5Confident48 Ų4870 Ų7022%0.22435%0.35CS..  trans-120143.3-176.9-76.2170.9-173.100109.5R504 L541 K548 N580R504-E543 IonicContact NH1-OE1 3.94Å; L541-E543 WeakPolarHBondContact O-CG 3.49Å; L541-E543 PolarHBondContact O-N 2.78Å; L541-E543 VanDerWaalsContact O-N 3.11Å; E543-K548 HydrophobicContact CB-CG 4Å; E543-N580 PolarHBondContact OE1-ND2 2.99Å
544D82.6Confident88.4Confident86 Ų8670.9 Ų70.946%0.4635%0.354SS..  trans-80.9167.9166.165.638.7000111.2E546 E547 K548D544-E546 PolarHBondContact O-N 2.84Å; D544-E546 PolarHBondContact OD1-N 3Å; D544-E546 VanDerWaalsContact OD1-N 3.1Å; D544-E547 PolarHBondContact O-N 3.24Å; D544-E547 WeakPolarHBondContact OD1-CB 3.44Å; D544-E547 WeakPolarHBondContact OD1-CG 3.49Å; D544-E547 PolarHBondContact OD1-N 3.44Å; D544-K548 WeakPolarHBondContact O-CG 3.36Å; D544-K548 PolarHBondContact O-N 2.97Å; D544-K548 VanDerWaalsContact O-N 3.12Å
545E84.5Confident88.3Confident142 Ų14274.4 Ų74.466%0.66437%0.37SS*.Hα-helixtrans-67.5-23.3-177.8-70.8-63.2132.100113K548 K549E545-K548 IonicContact OE1-NZ 3.89Å; E545-K548 PolarHBondContact OE1-NZ 2.57Å; E545-K549 WeakPolarHBondContact O-CB 3.21Å; E545-K549 PolarHBondContact O-N 2.89Å
546E86.1Confident88.2Confident161 Ų16177 Ų7775%0.75239%0.392SS*.Hα-helixtrans-76.2-43.8178.3-170.3175.8174.600111.1D544 K549 K550D544-E546 PolarHBondContact O-N 2.84Å; D544-E546 PolarHBondContact OD1-N 3Å; D544-E546 VanDerWaalsContact OD1-N 3.1Å; E546-K549 PolarHBondContact O-N 3.43Å; E546-K550 PolarHBondContact O-N 3.16Å
547E84.1Confident88.3Confident63 Ų6378.8 Ų78.829%0.29440%0.4SS..Hα-helixtrans-62.5-42.1174-74.8-172.3148.300111.4R504 D544 K549 K550 M551R504-E547 IonicContact CZ-OE2 3.78Å; R504-E547 IonicContact NE-OE1 3.31Å; R504-E547 IonicContact NE-OE2 3.36Å; R504-E547 IonicContact NH1-OE2 2.68Å; R504-E547 IonicContact NH2-OE1 2.73Å; R504-E547 IonicContact NH2-OE2 2.76Å; R504-E547 PolarHBondContact NH2-OE2 3.41Å; D544-E547 PolarHBondContact O-N 3.24Å; D544-E547 WeakPolarHBondContact OD1-CB 3.44Å; D544-E547 WeakPolarHBondContact OD1-CG 3.49Å; D544-E547 PolarHBondContact OD1-N 3.44Å; E547-K549 VanDerWaalsContact C-N 3.33Å; E547-K549 PolarHBondContact O-N 2.91Å; E547-K550 PolarHBondContact O-N 2.94Å; E547-M551 VanDerWaalsContact O-CB 3.29Å; E547-M551 WeakPolarHBondContact O-CB 3.47Å; E547-M551 PolarHBondContact O-N 3.22Å
548K85.9Confident88.4Confident85 Ų8576.2 Ų76.237%0.3739%0.388SS..Hα-helixtrans-59.3-45.4174.1-74.8-179.8-167.3167.20111.6E543 D544 E545 M551 E552E543-K548 HydrophobicContact CB-CG 4Å; D544-K548 WeakPolarHBondContact O-CG 3.36Å; D544-K548 PolarHBondContact O-N 2.97Å; D544-K548 VanDerWaalsContact O-N 3.12Å; E545-K548 IonicContact OE1-NZ 3.89Å; E545-K548 PolarHBondContact OE1-NZ 2.57Å; K548-M551 PolarHBondContact O-N 3.29Å; K548-E552 PolarHBondContact O-N 3.47Å
549K90.3Very high88.8Confident142 Ų14277.8 Ų77.862%0.61738%0.378SS*.Hα-helixtrans-64-46.3178.1-172.8-176.5174.6-1710111.4E545 E546 E547 M551 E552 D553E545-K549 WeakPolarHBondContact O-CB 3.21Å; E545-K549 PolarHBondContact O-N 2.89Å; E546-K549 PolarHBondContact O-N 3.43Å; E547-K549 VanDerWaalsContact C-N 3.33Å; E547-K549 PolarHBondContact O-N 2.91Å; K549-M551 PolarHBondContact O-N 3.23Å; K549-E552 PolarHBondContact O-N 3.34Å; K549-D553 PolarHBondContact O-N 2.65Å
550K89.8Confident89Confident95 Ų9582.9 Ų82.941%0.41341%0.405SS..Hα-helixtrans-56.4-41.7175.5-173.6-170.9172.2-165.90111E546 E547 D553 D554 D629E546-K550 PolarHBondContact O-N 3.16Å; E547-K550 PolarHBondContact O-N 2.94Å; K550-D553 PolarHBondContact O-N 3.26Å; K550-D554 WeakPolarHBondContact CE-OD2 3.07Å; K550-D554 WeakPolarHBondContact O-CB 3.5Å; K550-D554 PolarHBondContact O-N 3.29Å; K550-D629 IonicContact NZ-OD1 2.66Å; K550-D629 PolarHBondContact NZ-OD1 2.96Å; K550-D629 IonicContact NZ-OD2 3.5Å; K550-D629 PolarHBondContact NZ-OD2 2.75Å
551M88.1Confident89.4Confident38 Ų3875 Ų7519%0.18737%0.368CS..Hα-helixtrans-67.4-37.6-179.1-169.8-84.2-67.100112.5E547 K548 K549 K555E547-M551 VanDerWaalsContact O-CB 3.29Å; E547-M551 WeakPolarHBondContact O-CB 3.47Å; E547-M551 PolarHBondContact O-N 3.22Å; K548-M551 PolarHBondContact O-N 3.29Å; K549-M551 PolarHBondContact O-N 3.23Å; M551-K555 WeakPolarHBondContact O-CB 3.44Å; M551-K555 WeakPolarHBondContact O-CG 3.39Å; M551-K555 PolarHBondContact O-N 3.42Å; M551-K555 HydrophobicContact SD-CD 3.61Å; M551-K555 WeakPolarHBondContact SD-CE 3.32Å; M551-K555 HydrophobicContact SD-CG 4.05Å; M551-K555 PolarHBondContact SD-NZ 3.07Å
552E90.5Very high89.8Confident106 Ų10675.3 Ų75.350%0.49537%0.371SS..Hα-helixtrans-66.1-40.8171.1-69.7-61.3128.200112.2K548 K549 K555 A556K548-E552 PolarHBondContact O-N 3.47Å; K549-E552 PolarHBondContact O-N 3.34Å; E552-K555 WeakPolarHBondContact O-CB 3.41Å; E552-K555 PolarHBondContact O-N 2.91Å; E552-K555 IonicContact OE1-NZ 3.99Å; E552-K555 PolarHBondContact OE1-NZ 3.25Å; E552-A556 PolarHBondContact O-N 3.23Å; E552-A556 VanDerWaalsContact O-N 3.08Å
553D93.1Very high90.4Very high96 Ų9678.5 Ų78.551%0.51338%0.381SS..Hα-helixtrans-63.8-42.9174.9-69.3-22.5000111.3K549 K550 A556 K557K549-D553 PolarHBondContact O-N 2.65Å; K550-D553 PolarHBondContact O-N 3.26Å; D553-A556 PolarHBondContact O-N 2.87Å; D553-K557 WeakPolarHBondContact O-CB 3.49Å; D553-K557 PolarHBondContact O-N 3.23Å
554D93.5Very high91.1Very high23 Ų2376.8 Ų76.812%0.12337%0.374CS..Hα-helixtrans-65.5-39.9176.6-77.5-29000111.5K550 A556 K557 Y558 V578 P628K550-D554 WeakPolarHBondContact CE-OD2 3.07Å; K550-D554 WeakPolarHBondContact O-CB 3.5Å; K550-D554 PolarHBondContact O-N 3.29Å; D554-A556 VanDerWaalsContact C-N 3.33Å; D554-A556 PolarHBondContact O-N 3.28Å; D554-K557 PolarHBondContact O-N 3.35Å; D554-Y558 WeakPolarHBondContact O-CB 3.47Å; D554-Y558 WeakPolarHBondContact O-CD2 3.31Å; D554-Y558 PolarHBondContact O-N 3.46Å; D554-V578 HydrophobicContact CB-CG1 4.29Å; D554-P628 HydrophobicContact CB-CB 3.98Å; D554-P628 HydrophobicContact CB-CG 4.07Å
555K93.8Very high91.7Very high74 Ų7472.7 Ų72.732%0.32235%0.352SS..Hα-helixtrans-57.6-46.2172.8-82.7171.1172.7162.80111.6M551 E552 E559 V578M551-K555 WeakPolarHBondContact O-CB 3.44Å; M551-K555 WeakPolarHBondContact O-CG 3.39Å; M551-K555 PolarHBondContact O-N 3.42Å; M551-K555 HydrophobicContact SD-CD 3.61Å; M551-K555 WeakPolarHBondContact SD-CE 3.32Å; M551-K555 HydrophobicContact SD-CG 4.05Å; M551-K555 PolarHBondContact SD-NZ 3.07Å; E552-K555 WeakPolarHBondContact O-CB 3.41Å; E552-K555 PolarHBondContact O-N 2.91Å; E552-K555 IonicContact OE1-NZ 3.99Å; E552-K555 PolarHBondContact OE1-NZ 3.25Å; K555-E559 WeakPolarHBondContact O-CB 2.94Å; K555-E559 PolarHBondContact O-N 2.85Å; K555-V578 HydrophobicContact CG-CB 4.21Å; K555-V578 HydrophobicContact CG-CG2 4.4Å
556A94Very high92.3Very high67 Ų6768.4 Ų68.455%0.55433%0.331SS*.Hα-helixtrans-64.9-44.3177.600000111.3E552 D553 D554 Y558 E559E552-A556 PolarHBondContact O-N 3.23Å; E552-A556 VanDerWaalsContact O-N 3.08Å; D553-A556 PolarHBondContact O-N 2.87Å; D554-A556 VanDerWaalsContact C-N 3.33Å; D554-A556 PolarHBondContact O-N 3.28Å; A556-Y558 VanDerWaalsContact C-N 3.32Å; A556-Y558 PolarHBondContact O-N 3.47Å; A556-E559 PolarHBondContact O-N 3.43Å
557K94.3Very high92.6Very high93 Ų9367.4 Ų67.440%0.40433%0.326SS..Hα-helixtrans-60.5-38.9179.4-171-173.2-178.3-160.80112.7D553 D554 E634D553-K557 WeakPolarHBondContact O-CB 3.49Å; D553-K557 PolarHBondContact O-N 3.23Å; D554-K557 PolarHBondContact O-N 3.35Å; K557-E634 WeakPolarHBondContact CE-OE2 3.14Å; K557-E634 IonicContact NZ-OE2 3.06Å; K557-E634 PolarHBondContact NZ-OE2 3.01Å
558Y95.4Very high93.1Very high1 Ų166.3 Ų66.30%0.00432%0.322CS..Hα-helixtrans-101.25-175.5-74-85.4000114.2D554 A556 N560 L561 C562 I626 P628 M633 E634 R637D554-Y558 WeakPolarHBondContact O-CB 3.47Å; D554-Y558 WeakPolarHBondContact O-CD2 3.31Å; D554-Y558 PolarHBondContact O-N 3.46Å; A556-Y558 VanDerWaalsContact C-N 3.32Å; A556-Y558 PolarHBondContact O-N 3.47Å; Y558-N560 VanDerWaalsContact C-N 3.34Å; Y558-N560 PolarHBondContact O-N 2.55Å; Y558-L561 HydrophobicContact CD1-CB 4.48Å; Y558-L561 HydrophobicContact CD1-CD2 3.84Å; Y558-L561 HydrophobicContact CE1-CD2 4.26Å; Y558-L561 PolarHBondContact O-N 2.91Å; Y558-L561 VanDerWaalsContact O-N 3.14Å; Y558-C562 PolarHBondContact O-N 3.25Å; Y558-C562 PolarHBondContact O-SG 3.14Å; Y558-I626 HydrophobicContact CD1-CD1 4.21Å; Y558-I626 HydrophobicContact CG-CD1 4.37Å; Y558-P628 HydrophobicContact CD2-CB 3.75Å; Y558-P628 HydrophobicContact CE2-CB 3.36Å; Y558-P628 PolarHBondContact OH-O 3.4Å; Y558-M633 HydrophobicContact CE1-CB 4.24Å; Y558-E634 PolarHBondContact OH-OE2 2.88Å; Y558-R637 HydrophobicContact CD1-CB 4.12Å; Y558-R637 HydrophobicContact CD1-CG 4.13Å; Y558-R637 HydrophobicContact CE1-CB 3.82Å; Y558-R637 HydrophobicContact CE1-CG 4.18Å
559E94.6Very high93.4Very high96 Ų9662.3 Ų62.345%0.44930%0.304SS..Hα-helixtrans-55.4-46.7-176.2-170.1-173.6165.800112.5K555 A556 L561 C562 K563K555-E559 WeakPolarHBondContact O-CB 2.94Å; K555-E559 PolarHBondContact O-N 2.85Å; A556-E559 PolarHBondContact O-N 3.43Å; E559-L561 PolarHBondContact O-N 3.07Å; E559-C562 PolarHBondContact O-N 3.37Å; E559-K563 WeakPolarHBondContact O-CG 3.34Å; E559-K563 PolarHBondContact O-N 2.97Å; E559-K563 VanDerWaalsContact OE1-CE 3.25Å; E559-K563 WeakPolarHBondContact OE1-CE 3.28Å; E559-K563 IonicContact OE1-NZ 2.88Å; E559-K563 PolarHBondContact OE1-NZ 3.39Å
560N93.6Very high93.3Very high111 Ų11160 Ų6059%0.59430%0.299SS*.Hα-helixtrans-66.7-37.3-179.7-70.5-27.8000112.3Y558 K563 L564Y558-N560 VanDerWaalsContact C-N 3.34Å; Y558-N560 PolarHBondContact O-N 2.55Å; N560-K563 PolarHBondContact O-N 3.17Å; N560-L564 PolarHBondContact O-N 3.05Å
561L94.3Very high93.3Very high2 Ų265.2 Ų65.21%0.0132%0.322CS..Hα-helixtrans-65.8-44.6175.3-179.564.2000110.6Y558 E559 K563 L564 M565 I626 L636 R637 A640Y558-L561 HydrophobicContact CD1-CB 4.48Å; Y558-L561 HydrophobicContact CD1-CD2 3.84Å; Y558-L561 HydrophobicContact CE1-CD2 4.26Å; Y558-L561 PolarHBondContact O-N 2.91Å; Y558-L561 VanDerWaalsContact O-N 3.14Å; E559-L561 PolarHBondContact O-N 3.07Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.05Å; L561-L564 PolarHBondContact O-N 2.82Å; L561-M565 HydrophobicContact CD1-CG 4.22Å; L561-M565 HydrophobicContact CD1-SD 4.39Å; L561-M565 HydrophobicContact CD2-SD 4.44Å; L561-M565 HydrophobicContact CG-CG 4.31Å; L561-M565 HydrophobicContact CG-SD 4.04Å; L561-M565 VanDerWaalsContact O-CG 3.31Å; L561-M565 WeakPolarHBondContact O-CG 3.48Å; L561-M565 PolarHBondContact O-N 3.17Å; L561-I626 HydrophobicContact CD2-CD1 4.44Å; L561-L636 HydrophobicContact CD1-CB 4.11Å; L561-L636 HydrophobicContact CD2-CB 4.07Å; L561-R637 HydrophobicContact CD2-CB 4.18Å; L561-A640 HydrophobicContact CD1-CB 4.01Å
562C95.4Very high93.3Very high15 Ų1567.3 Ų67.310%0.10133%0.33CS..Hα-helixtrans-58.5-42.8176.6-71.20000112Y558 E559 M565 K566 V576Y558-C562 PolarHBondContact O-N 3.25Å; Y558-C562 PolarHBondContact O-SG 3.14Å; E559-C562 PolarHBondContact O-N 3.37Å; C562-M565 PolarHBondContact O-N 3.43Å; C562-K566 WeakPolarHBondContact O-CB 3.43Å; C562-K566 PolarHBondContact O-N 2.97Å; C562-V576 HydrophobicContact CB-CB 4.29Å; C562-V576 HydrophobicContact CB-CG1 4.13Å
563K95.1Very high93.4Very high104 Ų10462.6 Ų62.645%0.45231%0.308SS..Hα-helixtrans-61.5-48175.1-72.8174.6-174.6165.60111.6E559 N560 L561 M565 K566 E567E559-K563 WeakPolarHBondContact O-CG 3.34Å; E559-K563 PolarHBondContact O-N 2.97Å; E559-K563 VanDerWaalsContact OE1-CE 3.25Å; E559-K563 WeakPolarHBondContact OE1-CE 3.28Å; E559-K563 IonicContact OE1-NZ 2.88Å; E559-K563 PolarHBondContact OE1-NZ 3.39Å; N560-K563 PolarHBondContact O-N 3.17Å; L561-K563 VanDerWaalsContact C-N 3.32Å; L561-K563 PolarHBondContact O-N 3.05Å; K563-M565 PolarHBondContact O-N 2.82Å; K563-K566 PolarHBondContact O-N 3.38Å; K563-E567 WeakPolarHBondContact O-CG 3.48Å; K563-E567 PolarHBondContact O-N 3.27Å
564L94Very high93.4Very high13 Ų1362.7 Ų62.77%0.06831%0.306CS..Hα-helixtrans-60.2-45.3177.2178.262.2000112N560 L561 K566 E567 I568 A640 K644N560-L564 PolarHBondContact O-N 3.05Å; L561-L564 PolarHBondContact O-N 2.82Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.17Å; L564-E567 PolarHBondContact O-N 3.32Å; L564-I568 HydrophobicContact CD1-CD1 4.09Å; L564-I568 HydrophobicContact CD1-CG1 4.39Å; L564-I568 HydrophobicContact CG-CD1 3.87Å; L564-I568 WeakPolarHBondContact O-CD1 3.44Å; L564-I568 VanDerWaalsContact O-CG1 3.28Å; L564-I568 WeakPolarHBondContact O-CG1 3.39Å; L564-I568 PolarHBondContact O-N 3Å; L564-A640 HydrophobicContact CD2-CB 3.57Å; L564-K644 HydrophobicContact CD1-CB 4.38Å; L564-K644 HydrophobicContact CD2-CB 4.48Å
565M95.6Very high93.4Very high0 Ų066.9 Ų66.90%032%0.323CS..Hα-helixtrans-62.5-38.5176.9-69.1-179.584.200111.7L561 C562 K563 I568 L569 V576 L624 I626 V653L561-M565 HydrophobicContact CD1-CG 4.22Å; L561-M565 HydrophobicContact CD1-SD 4.39Å; L561-M565 HydrophobicContact CD2-SD 4.44Å; L561-M565 HydrophobicContact CG-CG 4.31Å; L561-M565 HydrophobicContact CG-SD 4.04Å; L561-M565 VanDerWaalsContact O-CG 3.31Å; L561-M565 WeakPolarHBondContact O-CG 3.48Å; L561-M565 PolarHBondContact O-N 3.17Å; C562-M565 PolarHBondContact O-N 3.43Å; K563-M565 PolarHBondContact O-N 2.82Å; M565-I568 PolarHBondContact O-N 3.2Å; M565-L569 VanDerWaalsContact O-CB 3.25Å; M565-L569 WeakPolarHBondContact O-CB 3.49Å; M565-L569 VanDerWaalsContact O-CG 3.28Å; M565-L569 WeakPolarHBondContact O-CG 3.47Å; M565-L569 PolarHBondContact O-N 3.16Å; M565-V576 HydrophobicContact CB-CG1 4.08Å; M565-V576 HydrophobicContact CB-CG2 4.15Å; M565-V576 HydrophobicContact SD-CG1 4.28Å; M565-L624 HydrophobicContact CE-CD2 3.51Å; M565-I626 HydrophobicContact CE-CG2 4.24Å; M565-I626 HydrophobicContact SD-CG2 4.07Å; M565-V653 HydrophobicContact CB-CG1 4.22Å; M565-V653 HydrophobicContact CE-CG1 4.01Å; M565-V653 HydrophobicContact CE-CG2 4.44Å; M565-V653 HydrophobicContact CG-CG1 3.93Å; M565-V653 HydrophobicContact CG-CG2 4.06Å
566K95.8Very high93.5Very high51 Ų5164 Ų6422%0.22231%0.312CS..Hα-helixtrans-64.9-40174.2178.460.3179.490.30111.9C562 K563 L564 L569 D570 V573 E574 V576C562-K566 WeakPolarHBondContact O-CB 3.43Å; C562-K566 PolarHBondContact O-N 2.97Å; K563-K566 PolarHBondContact O-N 3.38Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.17Å; K566-L569 CarbonylContact O-C 3.58Å; K566-L569 PolarHBondContact O-N 3.28Å; K566-D570 PolarHBondContact NZ-O 2.8Å; K566-D570 IonicContact NZ-OD1 2.62Å; K566-D570 PolarHBondContact NZ-OD1 3.42Å; K566-D570 WeakPolarHBondContact O-CA 3.36Å; K566-D570 PolarHBondContact O-N 2.89Å; K566-V573 HydrophobicContact CD-CG2 4.16Å; K566-V573 WeakPolarHBondContact CD-O 3.34Å; K566-V573 WeakPolarHBondContact CE-O 3.4Å; K566-V573 PolarHBondContact NZ-O 2.86Å; K566-E574 WeakPolarHBondContact CE-O 3.47Å; K566-V576 HydrophobicContact CB-CG2 3.96Å
567E94.3Very high93.6Very high140 Ų14062.4 Ų62.465%0.65430%0.295SS*.Hα-helixtrans-63.2-42.9175.4-72174.4-171.100111.8K563 L564 L569K563-E567 WeakPolarHBondContact O-CG 3.48Å; K563-E567 PolarHBondContact O-N 3.27Å; L564-E567 PolarHBondContact O-N 3.32Å; E567-L569 VanDerWaalsContact C-N 3.34Å
568I93.3Very high93.5Very high40 Ų4058.5 Ų58.521%0.20528%0.279CS..Hα-helixtrans-65.3-39.6177.3-65.6160.7000111.1L564 M565 K650 V653 V654L564-I568 HydrophobicContact CD1-CD1 4.09Å; L564-I568 HydrophobicContact CD1-CG1 4.39Å; L564-I568 HydrophobicContact CG-CD1 3.87Å; L564-I568 WeakPolarHBondContact O-CD1 3.44Å; L564-I568 VanDerWaalsContact O-CG1 3.28Å; L564-I568 WeakPolarHBondContact O-CG1 3.39Å; L564-I568 PolarHBondContact O-N 3Å; M565-I568 PolarHBondContact O-N 3.2Å; I568-K650 HydrophobicContact CD1-CB 4.33Å; I568-K650 HydrophobicContact CD1-CG 3.87Å; I568-K650 HydrophobicContact CG1-CB 4.49Å; I568-K650 HydrophobicContact CG1-CG 4Å; I568-V653 HydrophobicContact CB-CG1 4.21Å; I568-V653 HydrophobicContact CD1-CB 4.03Å; I568-V653 HydrophobicContact CD1-CG1 4.01Å; I568-V653 HydrophobicContact CD1-CG2 4.05Å; I568-V653 HydrophobicContact CG2-CB 4.37Å; I568-V653 HydrophobicContact CG2-CG1 3.95Å; I568-V654 HydrophobicContact CG2-CG2 3.78Å
569L93.4Very high93.1Very high1 Ų158.9 Ų58.91%0.00528%0.282CS..THydrogen-bonded Turntrans-102.625.2-173.7-58.3173.1000112.7M565 K566 E567 K571 K572 V573 L624 V653 V654 F657M565-L569 VanDerWaalsContact O-CB 3.25Å; M565-L569 WeakPolarHBondContact O-CB 3.49Å; M565-L569 VanDerWaalsContact O-CG 3.28Å; M565-L569 WeakPolarHBondContact O-CG 3.47Å; M565-L569 PolarHBondContact O-N 3.16Å; K566-L569 CarbonylContact O-C 3.58Å; K566-L569 PolarHBondContact O-N 3.28Å; E567-L569 VanDerWaalsContact C-N 3.34Å; L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 3.15Å; L569-K571 VanDerWaalsContact O-N 3.09Å; L569-K572 HydrophobicContact CB-CB 4.36Å; L569-K572 HydrophobicContact CD2-CD 4.34Å; L569-K572 WeakPolarHBondContact O-CA 3.38Å; L569-K572 PolarHBondContact O-N 3.34Å; L569-V573 HydrophobicContact CB-CG2 3.72Å; L569-V573 HydrophobicContact CD1-CG2 4.32Å; L569-V573 PolarHBondContact O-N 3.15Å; L569-V573 VanDerWaalsContact O-N 3.09Å; L569-L624 HydrophobicContact CD1-CD2 3.77Å; L569-V653 HydrophobicContact CD1-CG1 4.08Å; L569-V653 HydrophobicContact CG-CG1 4.15Å; L569-V654 HydrophobicContact CD2-CG2 4.3Å; L569-F657 HydrophobicContact CD1-CB 3.77Å; L569-F657 HydrophobicContact CD1-CD2 3.93Å; L569-F657 HydrophobicContact CD1-CG 3.95Å; L569-F657 HydrophobicContact CD2-CB 3.77Å; L569-F657 HydrophobicContact CD2-CD1 4.04Å; L569-F657 HydrophobicContact CD2-CD2 4.4Å; L569-F657 HydrophobicContact CD2-CG 3.78Å; L569-F657 HydrophobicContact CG-CB 4.44Å; L569-F657 HydrophobicContact CG-CG 4.49Å
570D88.3Confident92.4Very high95 Ų9556.1 Ų56.151%0.50827%0.27SS..THydrogen-bonded Turntrans-51.3-46-161.7-176.651.2000114.4K566K566-D570 PolarHBondContact NZ-O 2.8Å; K566-D570 IonicContact NZ-OD1 2.62Å; K566-D570 PolarHBondContact NZ-OD1 3.42Å; K566-D570 WeakPolarHBondContact O-CA 3.36Å; K566-D570 PolarHBondContact O-N 2.89Å
571K88.3Confident92.2Very high203 Ų20350.9 Ų50.988%0.88324%0.242SC*.THydrogen-bonded Turntrans-87.4-5.2179.1-61.4-173.1179.3-178.60114.5L569L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 3.15Å; L569-K571 VanDerWaalsContact O-N 3.09Å
572K88.8Confident92.1Very high83 Ų8350.9 Ų50.936%0.36124%0.242SC..THydrogen-bonded Turntrans-101-30.9-174.2-59.2-162.4178.1-166.40113L569 F657 E658L569-K572 HydrophobicContact CB-CB 4.36Å; L569-K572 HydrophobicContact CD2-CD 4.34Å; L569-K572 WeakPolarHBondContact O-CA 3.38Å; L569-K572 PolarHBondContact O-N 3.34Å; K572-F657 HydrophobicContact CB-CE1 3.97Å; K572-F657 HydrophobicContact CB-CE2 4.34Å; K572-F657 HydrophobicContact CB-CZ 3.78Å; K572-F657 HydrophobicContact CD-CD1 3.91Å; K572-F657 HydrophobicContact CD-CE1 3.52Å; K572-F657 HydrophobicContact CD-CZ 4.22Å; K572-F657 HydrophobicContact CG-CE1 4.35Å; K572-E658 IonicContact NZ-OE1 2.83Å
573V92.8Very high91.9Very high6 Ų652.4 Ų52.44%0.03625%0.25CS..  trans-134.2143.4179-600000111.6K566 L569 V576 I589 L624 F657K566-V573 HydrophobicContact CD-CG2 4.16Å; K566-V573 WeakPolarHBondContact CD-O 3.34Å; K566-V573 WeakPolarHBondContact CE-O 3.4Å; K566-V573 PolarHBondContact NZ-O 2.86Å; L569-V573 HydrophobicContact CB-CG2 3.72Å; L569-V573 HydrophobicContact CD1-CG2 4.32Å; L569-V573 PolarHBondContact O-N 3.15Å; L569-V573 VanDerWaalsContact O-N 3.09Å; V573-V576 HydrophobicContact CG2-CG2 3.84Å; V573-I589 HydrophobicContact CG1-CD1 4.47Å; V573-L624 HydrophobicContact CG1-CB 4.26Å; V573-F657 HydrophobicContact CG1-CD2 3.74Å; V573-F657 HydrophobicContact CG1-CE2 3.28Å; V573-F657 HydrophobicContact CG1-CZ 4.23Å
574E92.9Very high91.8Very high99 Ų9951.2 Ų51.246%0.46326%0.255SS..SBendtrans-77.5-38.2177.1-179.378.2-179.200111.3K566 K621 K622K566-E574 WeakPolarHBondContact CE-O 3.47Å; E574-K621 HydrophobicContact CB-CB 4.05Å; E574-K621 HydrophobicContact CB-CD 4.3Å; E574-K621 HydrophobicContact CG-CB 4.39Å; E574-K621 HydrophobicContact CG-CD 3.83Å; E574-K621 IonicContact OE1-NZ 3.69Å; E574-K621 PolarHBondContact OE1-NZ 3.26Å; E574-K621 WeakPolarHBondContact OE2-CD 3.36Å; E574-K621 WeakPolarHBondContact OE2-CE 3.45Å; E574-K621 IonicContact OE2-NZ 3.66Å; E574-K621 PolarHBondContact OE2-NZ 2.89Å; E574-K622 PolarHBondContact N-O 3.19Å
575K94.1Very high91.8Very high110 Ų11051.9 Ų51.948%0.47826%0.261SS..EExtended strand (participates in β ladder)trans-145.7145.1-175-170.7179175.5-176.30110.6H623 L624K575-H623 HydrophobicContact CB-CB 4.34Å; K575-H623 VanDerWaalsContact CB-ND1 3.34Å; K575-H623 WeakPolarHBondContact CB-ND1 3.32Å; K575-H623 CarbonylContact O-C 3.55Å; K575-H623 WeakPolarHBondContact O-CA 3.48Å; K575-L624 PolarHBondContact O-N 3.2Å
576V96.1Very high91.8Very high15 Ų1553.3 Ų53.39%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-118.1129.6166.9-172.80000108.1C562 M565 K566 V573 L624 I626C562-V576 HydrophobicContact CB-CB 4.29Å; C562-V576 HydrophobicContact CB-CG1 4.13Å; M565-V576 HydrophobicContact CB-CG1 4.08Å; M565-V576 HydrophobicContact CB-CG2 4.15Å; M565-V576 HydrophobicContact SD-CG1 4.28Å; K566-V576 HydrophobicContact CB-CG2 3.96Å; V573-V576 HydrophobicContact CG2-CG2 3.84Å; V576-L624 CarbonylContact C-O 3.46Å; V576-L624 VanDerWaalsContact CA-O 3.28Å; V576-L624 WeakPolarHBondContact CA-O 3.48Å; V576-L624 HydrophobicContact CG1-CB 4.34Å; V576-L624 HydrophobicContact CG1-CD2 4.1Å; V576-L624 HydrophobicContact CG1-CG 4.31Å; V576-L624 HydrophobicContact CG2-CB 4.2Å; V576-L624 HydrophobicContact CG2-CD2 4.27Å; V576-I626 HydrophobicContact CG1-CG2 4.22Å
577T95.1Very high91.8Very high32 Ų3251.2 Ų51.220%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-148158.8-176.7-172.30000111.9L624 E625 I626T577-L624 PolarHBondContact N-O 3.05Å; T577-E625 HydrophobicContact CG2-CG 4.07Å; T577-E625 CarbonylContact O-C 3.4Å; T577-E625 VanDerWaalsContact O-CA 3.23Å; T577-E625 WeakPolarHBondContact O-CA 3.26Å; T577-I626 PolarHBondContact O-N 3.22Å
578V93.3Very high91.9Very high12 Ų1244.5 Ų44.57%0.07323%0.231CC..EExtended strand (participates in β ladder)trans-68.1136.6168.4-178.60000109.5D554 K555 I626 P628D554-V578 HydrophobicContact CB-CG1 4.29Å; K555-V578 HydrophobicContact CG-CB 4.21Å; K555-V578 HydrophobicContact CG-CG2 4.4Å; V578-I626 HydrophobicContact CG2-CD1 4.36Å; V578-I626 HydrophobicContact CG2-CG1 4.22Å; V578-P628 HydrophobicContact CG1-CB 4.17Å; V578-P628 HydrophobicContact CG1-CG 3.64Å
579S86.9Confident92Very high9 Ų942.7 Ų42.76%0.06322%0.221CC..  trans-94143.9177.8-164.70000111.6R581 E625 I626S579-R581 WeakPolarHBondContact OG-CG 3.42Å; S579-R581 PolarHBondContact OG-N 2.83Å; S579-R581 VanDerWaalsContact OG-N 3.07Å; S579-E625 WeakPolarHBondContact CB-OE2 3.26Å; S579-E625 PolarHBondContact OG-OE2 3.25Å; S579-I626 WeakPolarHBondContact CB-O 3.33Å; S579-I626 PolarHBondContact N-O 2.78Å
580N79.6Confident92Very high38 Ų3842.7 Ų42.720%0.20322%0.221CC..SBendtrans-96.8-6.3163.465.3-11.4000113.1R500 L539 E543R500-N580 WeakPolarHBondContact CG-O 3.45Å; L539-N580 PolarHBondContact O-ND2 3.47Å; E543-N580 PolarHBondContact OE1-ND2 2.99Å
581R88.9Confident92.2Very high1 Ų138.3 Ų38.30%0.00420%0.198CC..SBendtrans-101.1-13-170.586.1-173.469.5-158.34.1115.4R500 V534 K536 L539 S579 E625R500-R581 VanDerWaalsContact CB-C 3.47Å; R500-R581 WeakPolarHBondContact CB-O 3.31Å; R500-R581 PolarHBondContact N-O 2.9Å; V534-R581 PolarHBondContact O-NH1 2.98Å; K536-R581 VanDerWaalsContact O-CZ 3.31Å; K536-R581 PolarHBondContact O-NH1 3.2Å; K536-R581 PolarHBondContact O-NH2 2.9Å; L539-R581 HydrophobicContact CD2-CB 4.02Å; S579-R581 WeakPolarHBondContact OG-CG 3.42Å; S579-R581 PolarHBondContact OG-N 2.83Å; S579-R581 VanDerWaalsContact OG-N 3.07Å; R581-E625 IonicContact CZ-OE1 2.71Å; R581-E625 IonicContact CZ-OE2 2.79Å; R581-E625 IonicContact NE-OE1 2.86Å; R581-E625 IonicContact NE-OE2 2.62Å; R581-E625 PolarHBondContact NE-OE2 2.86Å; R581-E625 IonicContact NH2-OE1 2.84Å; R581-E625 PolarHBondContact NH2-OE1 2.98Å; R581-E625 IonicContact NH2-OE2 2.75Å
582L91.8Very high92.3Very high2 Ų229.4 Ų29.41%0.0116%0.161CC..  trans-88.5151-176.4-62.4179.7000112.1A496 R500 C588 N627A496-L582 HydrophobicContact CB-CD2 3.85Å; R500-L582 PolarHBondContact NE-O 3.18Å; R500-L582 PolarHBondContact NH2-O 3.31Å; L582-C588 HydrophobicContact CD1-CB 4.34Å; L582-C588 HydrophobicContact CD2-CB 3.92Å; L582-N627 HydrophobicContact CB-CB 3.88Å; L582-N627 HydrophobicContact CD1-CB 4.04Å
583V92.4Very high92.1Very high46 Ų4628.7 Ų28.728%0.27916%0.164SC..SBendtrans-128.5-66.3174.5-175.70000111.1E499 R500 K503 N627E499-V583 HydrophobicContact CB-CB 3.92Å; E499-V583 HydrophobicContact CB-CG2 3.74Å; E499-V583 WeakPolarHBondContact OE2-CA 3.41Å; E499-V583 WeakPolarHBondContact OE2-CB 3.37Å; E499-V583 PolarHBondContact OE2-N 2.94Å; R500-V583 HydrophobicContact CB-CG2 4.03Å; K503-V583 HydrophobicContact CD-CG1 4.26Å; K503-V583 HydrophobicContact CD-CG2 4.09Å; V583-N627 PolarHBondContact O-ND2 3.25Å
584S91.9Very high91.7Very high79 Ų7937.6 Ų37.655%0.55220%0.198SC*.SBendtrans-91.4-28.2-178.421.10000113E499 H630E499-S584 PolarHBondContact OE1-OG 2.93Å; E499-S584 PolarHBondContact OE2-N 3.23Å; E499-S584 PolarHBondContact OE2-OG 3.49Å; S584-H630 PolarHBondContact O-CD2 3.39Å; S584-H630 PolarHBondContact O-NE2 3.12Å
585S94.3Very high91.4Very high28 Ų2834.5 Ų34.520%0.19619%0.192CC..  trans-79.8140.7-176.7-64.80000111.7A496 E499 N627A496-S585 VanDerWaalsContact CB-OG 3.32Å; A496-S585 WeakPolarHBondContact CB-OG 3.42Å; E499-S585 PolarHBondContact OE1-OG 2.98Å; S585-N627 WeakPolarHBondContact O-CB 3.49Å; S585-N627 PolarHBondContact O-ND2 2.97Å
586P94.8Very high91.2Very high29 Ų2930.5 Ų30.519%0.18817%0.174CC..SBendtrans-69.9-36.3178.425.3-32.9000112.8N627 H630 M633 L656P586-N627 WeakPolarHBondContact O-CB 3.48Å; P586-N627 PolarHBondContact O-N 3.2Å; P586-H630 HydrophobicContact CB-CB 4.4Å; P586-M633 HydrophobicContact CB-CE 3.78Å; P586-M633 WeakPolarHBondContact O-CE 3.28Å; P586-M633 WeakPolarHBondContact O-CG 3.47Å; P586-L656 HydrophobicContact CG-CD2 4.16Å
587C95.8Very high91Very high7 Ų730.1 Ų30.15%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-158.6165.8177.656.30000110.9L624 E625 I626 M633C587-L624 HydrophobicContact CB-CD1 3.81Å; C587-E625 CarbonylContact C-O 3.53Å; C587-E625 WeakPolarHBondContact CA-O 3.38Å; C587-E625 WeakPolarHBondContact CB-O 3.48Å; C587-I626 HydrophobicContact CB-CG2 4.16Å; C587-M633 HydrophobicContact CB-CE 4Å
588C96.2Very high90.8Very high0 Ų029.1 Ų29.10%017%0.167CC..EExtended strand (participates in β ladder)trans-144.9161173.668.70000111.5F497 L582 L624 E625F497-C588 HydrophobicContact CE1-CB 3.92Å; F497-C588 HydrophobicContact CZ-CB 4.18Å; L582-C588 HydrophobicContact CD1-CB 4.34Å; L582-C588 HydrophobicContact CD2-CB 3.92Å; C588-L624 WeakPolarHBondContact O-CA 3.27Å; C588-E625 PolarHBondContact N-O 2.99Å; C588-E625 PolarHBondContact O-N 2.93Å
589I95.8Very high90.8Very high1 Ų129 Ų291%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-102.7111.2173.5-57.5-60.4000109.3F497 V573 K622 H623 L624 F657 A660 L661 S664 F666F497-I589 WeakPolarHBondContact CZ-O 3.25Å; V573-I589 HydrophobicContact CG1-CD1 4.47Å; I589-K622 HydrophobicContact CG2-CB 3.86Å; I589-K622 HydrophobicContact CG2-CD 4.32Å; I589-K622 HydrophobicContact CG2-CG 4.1Å; I589-H623 CarbonylContact C-O 3.53Å; I589-H623 WeakPolarHBondContact CA-O 3.44Å; I589-L624 HydrophobicContact CD1-CB 4.07Å; I589-L624 HydrophobicContact CD1-CD1 3.52Å; I589-L624 HydrophobicContact CD1-CG 4.39Å; I589-F657 HydrophobicContact CD1-CD2 3.67Å; I589-F657 HydrophobicContact CD1-CE2 3.6Å; I589-F657 HydrophobicContact CG1-CE2 4.38Å; I589-A660 HydrophobicContact CD1-CB 4.39Å; I589-A660 HydrophobicContact CG1-CB 4.04Å; I589-L661 HydrophobicContact CG1-CB 4.25Å; I589-L661 HydrophobicContact CG1-CD1 4.18Å; I589-L661 HydrophobicContact CG2-CD1 4.22Å; I589-S664 PolarHBondContact N-OG 2.84Å; I589-S664 WeakPolarHBondContact O-CB 3.32Å; I589-S664 PolarHBondContact O-OG 3.42Å; I589-F666 HydrophobicContact CB-CD2 4.3Å; I589-F666 HydrophobicContact CB-CE2 4.13Å; I589-F666 HydrophobicContact CG2-CD2 3.97Å; I589-F666 HydrophobicContact CG2-CE2 3.55Å; I589-F666 HydrophobicContact CG2-CZ 4.32Å
590V94.7Very high91Very high1 Ų129 Ų291%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-92.7152.1172.4-61.80000111F497 E537 H623 E625F497-V590 HydrophobicContact CD1-CG1 4.43Å; F497-V590 HydrophobicContact CE1-CG1 3.67Å; E537-V590 HydrophobicContact CB-CG2 4.1Å; V590-H623 HydrophobicContact CG2-CB 3.7Å; V590-H623 PolarHBondContact N-O 2.77Å; V590-H623 PolarHBondContact O-N 3.05Å; V590-E625 HydrophobicContact CG1-CG 3.97Å; V590-E625 HydrophobicContact CG2-CG 3.82Å
591T92.1Very high91.4Very high3 Ų327.8 Ų27.82%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-87.9142.8173.6-50.30000109.4T535 K536 E537 W596 A620T535-T591 PolarHBondContact O-N 3.34Å; T535-T591 VanDerWaalsContact O-N 3.08Å; K536-T591 CarbonylContact C-O 3.59Å; K536-T591 VanDerWaalsContact CA-O 3.31Å; K536-T591 WeakPolarHBondContact CA-O 3.49Å; E537-T591 PolarHBondContact N-O 2.67Å; T591-W596 WeakPolarHBondContact CG2-O 3.39Å; T591-A620 HydrophobicContact CG2-CB 3.26Å
592S89.5Confident91.5Very high17 Ų1730.6 Ų30.612%0.11917%0.169CC..PPolyproline II helixtrans-56.7159.1168.3-174.80000112.1E537 Y594 K621E537-S592 VanDerWaalsContact OE1-CA 3.24Å; E537-S592 WeakPolarHBondContact OE1-CA 3.48Å; E537-S592 WeakPolarHBondContact OE1-CB 3.16Å; E537-S592 PolarHBondContact OE1-OG 3.07Å; S592-Y594 PolarHBondContact O-N 2.93Å; S592-K621 PolarHBondContact N-O 3.33Å
593T85.6Confident91.4Very high67 Ų6731.7 Ų31.741%0.41118%0.175SC..SBendtrans-55.2-36.6178.4-51.90000111.8K536 E537K536-T593 PolarHBondContact NZ-O 2.93Å; E537-T593 WeakPolarHBondContact CG-OG1 3.49Å; E537-T593 PolarHBondContact OE1-N 2.94Å; E537-T593 PolarHBondContact OE1-OG1 3.33Å
594Y84.8Confident91.2Very high194 Ų19430.5 Ų30.576%0.76117%0.166SC*.SBendtrans-104.9148.4179.5-56.9-80.7000111.7S592 A620S592-Y594 PolarHBondContact O-N 2.93Å; Y594-A620 WeakPolarHBondContact O-CB 3.37Å
595G85.8Confident90.9Very high33 Ų3331.1 Ų31.134%0.3416%0.159SC..SBendtrans94.9-174.7-176.400000113.2M618G595-M618 WeakPolarHBondContact CA-O 3.47Å
596W89.1Confident90.5Very high26 Ų2633.9 Ų33.910%0.09818%0.183CC..  trans-77.6139.4-179.3-64.8-21.3000113.3T591 M600 E601 M604 M615 M618 A620T591-W596 WeakPolarHBondContact CG2-O 3.39Å; W596-M600 HydrophobicContact CB-CB 3.94Å; W596-M600 HydrophobicContact CB-CG 3.83Å; W596-M600 VanDerWaalsContact CD1-CG 3.4Å; W596-M600 HydrophobicContact CD2-CG 4.19Å; W596-M600 HydrophobicContact CG-CB 4.19Å; W596-M600 HydrophobicContact CG-CG 3.51Å; W596-E601 HydrophobicContact CB-CB 4.37Å; W596-E601 HydrophobicContact CE3-CB 4.23Å; W596-E601 HydrophobicContact CE3-CG 4.26Å; W596-M604 HydrophobicContact CD2-CB 4.43Å; W596-M604 HydrophobicContact CD2-CG 4.09Å; W596-M604 HydrophobicContact CE3-CB 4.11Å; W596-M604 HydrophobicContact CE3-CG 4.28Å; W596-M604 HydrophobicContact CH2-CB 4.39Å; W596-M604 HydrophobicContact CH2-CG 4.49Å; W596-M604 HydrophobicContact CZ2-CG 4.16Å; W596-M604 HydrophobicContact CZ3-CB 4.07Å; W596-M604 HydrophobicContact CZ3-CG 4.46Å; W596-M615 HydrophobicContact CH2-CB 4.42Å; W596-M615 HydrophobicContact CH2-CG 4.07Å; W596-M615 HydrophobicContact CZ3-CB 4.44Å; W596-M615 HydrophobicContact CZ3-CG 4.11Å; W596-M618 HydrophobicContact CD2-CB 4Å; W596-M618 VanDerWaalsContact CE2-CB 3.48Å; W596-M618 HydrophobicContact CE3-CB 4.42Å; W596-M618 HydrophobicContact CH2-CB 3.62Å; W596-M618 HydrophobicContact CH2-CG 4.4Å; W596-M618 HydrophobicContact CZ2-CB 3.27Å; W596-M618 HydrophobicContact CZ2-CG 3.76Å; W596-M618 HydrophobicContact CZ3-CB 4.28Å; W596-M618 PolarHBondContact N-O 2.96Å; W596-A620 VanDerWaalsContact O-CB 3.23Å; W596-A620 WeakPolarHBondContact O-CB 3.45Å
597T92.5Very high90.1Very high8 Ų837 Ų375%0.04920%0.196CC..  trans-63.4163.2162.362.20000110.2E517 N599 M600 E601E517-T597 PolarHBondContact OE1-OG1 2.93Å; E517-T597 PolarHBondContact OE2-OG1 3.49Å; T597-N599 PolarHBondContact O-N 2.81Å; T597-M600 PolarHBondContact O-N 3.41Å; T597-M600 VanDerWaalsContact OG1-CB 3.23Å; T597-M600 WeakPolarHBondContact OG1-CB 3.31Å; T597-M600 PolarHBondContact OG1-N 3.05Å; T597-E601 WeakPolarHBondContact O-CB 3.31Å; T597-E601 PolarHBondContact O-N 2.79Å
598A91.5Very high89.3Confident11 Ų1141.6 Ų41.69%0.09123%0.234CC..Hα-helixtrans-52.7-43.7172.900000112.3E601 R602 S664 F666A598-E601 PolarHBondContact O-N 3.29Å; A598-R602 PolarHBondContact O-N 2.85Å; A598-S664 WeakPolarHBondContact CB-O 3.4Å; A598-F666 HydrophobicContact CB-CD1 3.65Å; A598-F666 HydrophobicContact CB-CD2 3.75Å; A598-F666 HydrophobicContact CB-CE1 3.59Å; A598-F666 HydrophobicContact CB-CE2 3.68Å; A598-F666 HydrophobicContact CB-CG 3.75Å; A598-F666 HydrophobicContact CB-CZ 3.62Å
599N92.2Very high88.7Confident10 Ų1049.9 Ų49.95%0.05328%0.277CS..Hα-helixtrans-68-43.8-179.4-174.368.3000112G486 E517 T597 R602 I603G486-N599 WeakPolarHBondContact CA-OD1 3.42Å; E517-N599 WeakPolarHBondContact CG-ND2 3.5Å; E517-N599 VanDerWaalsContact OE1-CB 3.31Å; E517-N599 WeakPolarHBondContact OE1-CB 3.37Å; E517-N599 PolarHBondContact OE1-ND2 3.02Å; T597-N599 PolarHBondContact O-N 2.81Å; N599-R602 PolarHBondContact O-N 3.3Å; N599-R602 VanDerWaalsContact OD1-CZ 3.29Å; N599-R602 PolarHBondContact OD1-NH1 3.33Å; N599-R602 PolarHBondContact OD1-NH2 3Å; N599-I603 WeakPolarHBondContact O-CD1 3.48Å; N599-I603 WeakPolarHBondContact O-CG1 3.4Å; N599-I603 PolarHBondContact O-N 3.35Å; N599-I603 VanDerWaalsContact O-N 3.09Å
600M90.7Very high87.8Confident9 Ų952.1 Ų52.14%0.04429%0.285CS..Hα-helixtrans-62.5-43.9172.6-179.963.392.300111.5E517 W596 T597 R602 I603 M604E517-M600 HydrophobicContact CB-CE 3.56Å; E517-M600 HydrophobicContact CB-SD 4.14Å; E517-M600 HydrophobicContact CG-CB 4.41Å; W596-M600 HydrophobicContact CB-CB 3.94Å; W596-M600 HydrophobicContact CB-CG 3.83Å; W596-M600 VanDerWaalsContact CD1-CG 3.4Å; W596-M600 HydrophobicContact CD2-CG 4.19Å; W596-M600 HydrophobicContact CG-CB 4.19Å; W596-M600 HydrophobicContact CG-CG 3.51Å; T597-M600 PolarHBondContact O-N 3.41Å; T597-M600 VanDerWaalsContact OG1-CB 3.23Å; T597-M600 WeakPolarHBondContact OG1-CB 3.31Å; T597-M600 PolarHBondContact OG1-N 3.05Å; M600-R602 VanDerWaalsContact C-N 3.29Å; M600-R602 PolarHBondContact O-N 3.24Å; M600-I603 PolarHBondContact O-N 2.95Å; M600-M604 HydrophobicContact CE-CE 4.24Å; M600-M604 HydrophobicContact CG-CE 4.44Å; M600-M604 HydrophobicContact CG-CG 4.01Å; M600-M604 WeakPolarHBondContact O-CB 3.06Å; M600-M604 WeakPolarHBondContact O-CG 3.49Å; M600-M604 PolarHBondContact O-N 2.9Å; M600-M604 HydrophobicContact SD-CE 3.37Å; M600-M604 WeakPolarHBondContact SD-CE 3.4Å; M600-M604 HydrophobicContact SD-CG 3.8Å; M600-M604 HydrophobicContact SD-SD 4.47Å
601E89.9Confident86.9Confident11 Ų1156.7 Ų56.75%0.05131%0.31CS..Hα-helixtrans-56.3-43.7177-171.7-171.7147.900111.3W596 T597 A598 M604 K605 M619 K622W596-E601 HydrophobicContact CB-CB 4.37Å; W596-E601 HydrophobicContact CE3-CB 4.23Å; W596-E601 HydrophobicContact CE3-CG 4.26Å; T597-E601 WeakPolarHBondContact O-CB 3.31Å; T597-E601 PolarHBondContact O-N 2.79Å; A598-E601 PolarHBondContact O-N 3.29Å; E601-M604 PolarHBondContact O-N 3.15Å; E601-K605 HydrophobicContact CG-CD 4.18Å; E601-K605 WeakPolarHBondContact O-CB 3.35Å; E601-K605 WeakPolarHBondContact O-CG 3.49Å; E601-K605 PolarHBondContact O-N 2.68Å; E601-K605 WeakPolarHBondContact OE1-CE 3.27Å; E601-K605 IonicContact OE1-NZ 2.63Å; E601-K605 PolarHBondContact OE1-NZ 3.41Å; E601-M619 HydrophobicContact CG-CE 4.06Å; E601-M619 HydrophobicContact CG-SD 4.45Å; E601-M619 WeakPolarHBondContact OE1-CE 3.38Å; E601-K622 IonicContact OE2-NZ 3.67Å
602R89.4Confident86.1Confident61 Ų6162 Ų6223%0.2334%0.338CS..Hα-helixtrans-63-50176.7-170.1-171.867.6-116.2-9.8112.3E487 A598 N599 M600 M604 K605 A606E487-R602 WeakPolarHBondContact OE1-CD 3.34Å; E487-R602 IonicContact OE1-CZ 3.22Å; E487-R602 IonicContact OE1-NE 2.64Å; E487-R602 PolarHBondContact OE1-NE 2.86Å; E487-R602 IonicContact OE1-NH1 2.77Å; E487-R602 PolarHBondContact OE1-NH1 3Å; E487-R602 IonicContact OE1-NH2 2.74Å; A598-R602 PolarHBondContact O-N 2.85Å; N599-R602 PolarHBondContact O-N 3.3Å; N599-R602 VanDerWaalsContact OD1-CZ 3.29Å; N599-R602 PolarHBondContact OD1-NH1 3.33Å; N599-R602 PolarHBondContact OD1-NH2 3Å; M600-R602 VanDerWaalsContact C-N 3.29Å; M600-R602 PolarHBondContact O-N 3.24Å; R602-M604 VanDerWaalsContact C-N 3.27Å; R602-M604 PolarHBondContact O-N 3.12Å; R602-K605 PolarHBondContact O-N 3.24Å; R602-A606 WeakPolarHBondContact O-CB 3.28Å; R602-A606 PolarHBondContact O-N 3.09Å; R602-A606 VanDerWaalsContact O-N 3.08Å
603I90.3Very high85.3Confident25 Ų2564.8 Ų64.813%0.12836%0.358CS..Hα-helixtrans-57.2-46.7178.4-68161.4000110.1P514 E517 Y518 N599 M600 K605 A606 Q607P514-I603 HydrophobicContact CB-CD1 3.85Å; P514-I603 HydrophobicContact CB-CG1 4.07Å; P514-I603 HydrophobicContact CB-CG2 4.42Å; E517-I603 HydrophobicContact CB-CD1 4.27Å; E517-I603 HydrophobicContact CG-CD1 3.85Å; Y518-I603 HydrophobicContact CE2-CG2 4.11Å; N599-I603 WeakPolarHBondContact O-CD1 3.48Å; N599-I603 WeakPolarHBondContact O-CG1 3.4Å; N599-I603 PolarHBondContact O-N 3.35Å; N599-I603 VanDerWaalsContact O-N 3.09Å; M600-I603 PolarHBondContact O-N 2.95Å; I603-K605 PolarHBondContact O-N 2.92Å; I603-A606 PolarHBondContact O-N 3.3Å; I603-Q607 PolarHBondContact O-N 3.01Å
604M87.8Confident84.3Confident21 Ų2164.5 Ų64.510%0.10336%0.356CS..Hα-helixtrans-65.1-37.2-178.3-82.2-57.8166.900113.9Y518 W596 M600 E601 R602 R610Y518-M604 HydrophobicContact CE1-CE 3.49Å; Y518-M604 VanDerWaalsContact CE1-CE 3.49Å; Y518-M604 VanDerWaalsContact OH-CE 3.25Å; Y518-M604 WeakPolarHBondContact OH-CE 3.26Å; W596-M604 HydrophobicContact CD2-CB 4.43Å; W596-M604 HydrophobicContact CD2-CG 4.09Å; W596-M604 HydrophobicContact CE3-CB 4.11Å; W596-M604 HydrophobicContact CE3-CG 4.28Å; W596-M604 HydrophobicContact CH2-CB 4.39Å; W596-M604 HydrophobicContact CH2-CG 4.49Å; W596-M604 HydrophobicContact CZ2-CG 4.16Å; W596-M604 HydrophobicContact CZ3-CB 4.07Å; W596-M604 HydrophobicContact CZ3-CG 4.46Å; M600-M604 HydrophobicContact CE-CE 4.24Å; M600-M604 HydrophobicContact CG-CE 4.44Å; M600-M604 HydrophobicContact CG-CG 4.01Å; M600-M604 WeakPolarHBondContact O-CB 3.06Å; M600-M604 WeakPolarHBondContact O-CG 3.49Å; M600-M604 PolarHBondContact O-N 2.9Å; M600-M604 HydrophobicContact SD-CE 3.37Å; M600-M604 WeakPolarHBondContact SD-CE 3.4Å; M600-M604 HydrophobicContact SD-CG 3.8Å; M600-M604 HydrophobicContact SD-SD 4.47Å; E601-M604 PolarHBondContact O-N 3.15Å; R602-M604 VanDerWaalsContact C-N 3.27Å; R602-M604 PolarHBondContact O-N 3.12Å; M604-R610 VanDerWaalsContact CG-NH1 3.32Å; M604-R610 PolarHBondContact SD-NH1 3.47Å
605K85.6Confident83.5Confident92 Ų9256.6 Ų56.640%0.433%0.326SS..Hα-helixtrans-72.4-27.9174.4-79.7175.5168.8175.60112.8E601 R602 I603 Q607 M615E601-K605 HydrophobicContact CG-CD 4.18Å; E601-K605 WeakPolarHBondContact O-CB 3.35Å; E601-K605 WeakPolarHBondContact O-CG 3.49Å; E601-K605 PolarHBondContact O-N 2.68Å; E601-K605 WeakPolarHBondContact OE1-CE 3.27Å; E601-K605 IonicContact OE1-NZ 2.63Å; E601-K605 PolarHBondContact OE1-NZ 3.41Å; R602-K605 PolarHBondContact O-N 3.24Å; I603-K605 PolarHBondContact O-N 2.92Å; K605-Q607 VanDerWaalsContact C-N 3.31Å; K605-M615 HydrophobicContact CG-CE 4.39Å; K605-M615 HydrophobicContact CG-SD 3.95Å
606A87.1Confident82.6Confident85 Ų8558.1 Ų58.170%0.70234%0.342SS*.Hα-helixtrans-80.2-10178.800000113.6R602 I603 A608R602-A606 WeakPolarHBondContact O-CB 3.28Å; R602-A606 PolarHBondContact O-N 3.09Å; R602-A606 VanDerWaalsContact O-N 3.08Å; I603-A606 PolarHBondContact O-N 3.3Å; A606-A608 PolarHBondContact O-N 2.94Å
607Q86.1Confident81.5Confident96 Ų9667.1 Ų67.145%0.44938%0.377SS..  trans-81.5110.3-177.8-169.1177.1-300111.8I603 K605 L609 R610I603-Q607 PolarHBondContact O-N 3.01Å; K605-Q607 VanDerWaalsContact C-N 3.31Å; Q607-L609 PolarHBondContact O-N 3.04Å; Q607-R610 HydrophobicContact CB-CB 4.3Å; Q607-R610 HydrophobicContact CG-CB 4.43Å; Q607-R610 WeakPolarHBondContact O-CB 3.16Å; Q607-R610 PolarHBondContact O-N 2.86Å
608A79Confident80.8Confident102 Ų10271.3 Ų71.384%0.84340%0.398SS*.THydrogen-bonded Turntrans-63.1-34-171.900000115.6A606 R610A606-A608 PolarHBondContact O-N 2.94Å; A608-R610 PolarHBondContact O-N 3.34Å
609L82.7Confident80.1Confident174 Ų17474 Ų7491%0.91141%0.409SS*.THydrogen-bonded Turntrans-87.714.3-175.3-64177.7000113.7Q607Q607-L609 PolarHBondContact O-N 3.04Å
610R76.6Confident79.5Confident48 Ų4874.1 Ų74.118%0.18141%0.411CS..  trans-95.2140.6-171.4-171.9173.9177.5-161.7-7.5112.6M604 Q607 A608 T614M604-R610 VanDerWaalsContact CG-NH1 3.32Å; M604-R610 PolarHBondContact SD-NH1 3.47Å; Q607-R610 HydrophobicContact CB-CB 4.3Å; Q607-R610 HydrophobicContact CG-CB 4.43Å; Q607-R610 WeakPolarHBondContact O-CB 3.16Å; Q607-R610 PolarHBondContact O-N 2.86Å; A608-R610 PolarHBondContact O-N 3.34Å; R610-T614 PolarHBondContact NH2-OG1 2.81Å
611D76.8Confident79.3Confident97 Ų9779 Ų7952%0.51943%0.432SS..  trans-77.2119.5170-175.44000112.3S613 T614D611-S613 PolarHBondContact O-N 2.78Å; D611-S613 WeakPolarHBondContact OD1-CB 3.43Å; D611-S613 PolarHBondContact OD1-N 3.02Å; D611-S613 PolarHBondContact OD1-OG 3.04Å; D611-S613 PolarHBondContact OD2-OG 3.37Å; D611-T614 PolarHBondContact O-N 2.83Å; D611-T614 PolarHBondContact O-OG1 2.94Å
612N74.4Confident79.4Confident116 Ų11680.4 Ų80.462%0.6244%0.438SS*.G310 helixtrans-66.5-21.5178.7-67.7-17.7000113.4T614 M615N612-T614 PolarHBondContact O-N 3.18Å; N612-M615 HydrophobicContact CB-CE 4.01Å; N612-M615 WeakPolarHBondContact O-CB 3.31Å; N612-M615 PolarHBondContact O-N 2.99Å; N612-M615 WeakPolarHBondContact OD1-CE 3.38Å
613S72.6Confident79.7Confident75 Ų7578.1 Ų78.152%0.52443%0.43SS..G310 helixtrans-62-30.1-18078.20000112.7D611 M615D611-S613 PolarHBondContact O-N 2.78Å; D611-S613 WeakPolarHBondContact OD1-CB 3.43Å; D611-S613 PolarHBondContact OD1-N 3.02Å; D611-S613 PolarHBondContact OD1-OG 3.04Å; D611-S613 PolarHBondContact OD2-OG 3.37Å; S613-M615 VanDerWaalsContact C-N 3.3Å; S613-M615 PolarHBondContact O-N 2.64Å
614T66.5Low80Confident60 Ų6077 Ų7737%0.36842%0.424SS..G310 helixtrans-78.3-9.7-179.262.10000114R610 D611 N612R610-T614 PolarHBondContact NH2-OG1 2.81Å; D611-T614 PolarHBondContact O-N 2.83Å; D611-T614 PolarHBondContact O-OG1 2.94Å; N612-T614 PolarHBondContact O-N 3.18Å
615M67.1Low80.3Confident29 Ų2976.5 Ų76.514%0.14342%0.422CS..Hα-helixtrans-69.1-37.7-178.3-68.7-158.4-13400113.1W596 K605 N612 S613 Y617 M618 M619W596-M615 HydrophobicContact CH2-CB 4.42Å; W596-M615 HydrophobicContact CH2-CG 4.07Å; W596-M615 HydrophobicContact CZ3-CB 4.44Å; W596-M615 HydrophobicContact CZ3-CG 4.11Å; K605-M615 HydrophobicContact CG-CE 4.39Å; K605-M615 HydrophobicContact CG-SD 3.95Å; N612-M615 HydrophobicContact CB-CE 4.01Å; N612-M615 WeakPolarHBondContact O-CB 3.31Å; N612-M615 PolarHBondContact O-N 2.99Å; N612-M615 WeakPolarHBondContact OD1-CE 3.38Å; S613-M615 VanDerWaalsContact C-N 3.3Å; S613-M615 PolarHBondContact O-N 2.64Å; M615-Y617 PolarHBondContact O-N 3.19Å; M615-M618 PolarHBondContact O-N 2.63Å; M615-M618 VanDerWaalsContact O-N 3.13Å; M615-M619 WeakPolarHBondContact O-CG 3.33Å; M615-M619 PolarHBondContact O-N 2.78Å; M615-M619 HydrophobicContact SD-CE 4.4Å
616G65.9Low80.9Confident65 Ų6572.1 Ų72.167%0.6740%0.403SS*.Hα-helixtrans-60.1-32.4-174.700000114
617Y67.3Low81.3Confident214 Ų21468.2 Ų68.284%0.83937%0.37SS*.Hα-helixtrans-85.3-19.8-179.9-62.8-76.7000114M615M615-Y617 PolarHBondContact O-N 3.19Å
618M76.6Confident81.6Confident97 Ų9764.2 Ų64.248%0.47835%0.352SS..Hα-helixtrans-107.3-12.2-174.5-68.7-71.4-167.500113.3G595 W596 M615 A620G595-M618 WeakPolarHBondContact CA-O 3.47Å; W596-M618 HydrophobicContact CD2-CB 4Å; W596-M618 VanDerWaalsContact CE2-CB 3.48Å; W596-M618 HydrophobicContact CE3-CB 4.42Å; W596-M618 HydrophobicContact CH2-CB 3.62Å; W596-M618 HydrophobicContact CH2-CG 4.4Å; W596-M618 HydrophobicContact CZ2-CB 3.27Å; W596-M618 HydrophobicContact CZ2-CG 3.76Å; W596-M618 HydrophobicContact CZ3-CB 4.28Å; W596-M618 PolarHBondContact N-O 2.96Å; M615-M618 PolarHBondContact O-N 2.63Å; M615-M618 VanDerWaalsContact O-N 3.13Å; M618-A620 PolarHBondContact O-N 3.36Å
619M77.9Confident82.3Confident68 Ų6863.5 Ų63.534%0.33533%0.334SS..  trans-58.1107.2168.6-80.1-92.9173.100109.2E601 M615E601-M619 HydrophobicContact CG-CE 4.06Å; E601-M619 HydrophobicContact CG-SD 4.45Å; E601-M619 WeakPolarHBondContact OE1-CE 3.38Å; M615-M619 WeakPolarHBondContact O-CG 3.33Å; M615-M619 PolarHBondContact O-N 2.78Å; M615-M619 HydrophobicContact SD-CE 4.4Å
620A78.3Confident82.9Confident11 Ų1156.9 Ų56.99%0.09130%0.299CS..PPolyproline II helixtrans-66.4145.4176.800000110.4T591 Y594 W596 M618T591-A620 HydrophobicContact CG2-CB 3.26Å; Y594-A620 WeakPolarHBondContact O-CB 3.37Å; W596-A620 VanDerWaalsContact O-CB 3.23Å; W596-A620 WeakPolarHBondContact O-CB 3.45Å; M618-A620 PolarHBondContact O-N 3.36Å
621K87.4Confident83.8Confident111 Ų11159 Ų5948%0.48332%0.319SS..PPolyproline II helixtrans-63.9138.2168.2-67-178.2167.2-1580109.2E574 S592E574-K621 HydrophobicContact CB-CB 4.05Å; E574-K621 HydrophobicContact CB-CD 4.3Å; E574-K621 HydrophobicContact CG-CB 4.39Å; E574-K621 HydrophobicContact CG-CD 3.83Å; E574-K621 IonicContact OE1-NZ 3.69Å; E574-K621 PolarHBondContact OE1-NZ 3.26Å; E574-K621 WeakPolarHBondContact OE2-CD 3.36Å; E574-K621 WeakPolarHBondContact OE2-CE 3.45Å; E574-K621 IonicContact OE2-NZ 3.66Å; E574-K621 PolarHBondContact OE2-NZ 2.89Å; S592-K621 PolarHBondContact N-O 3.33Å
622K92.9Very high84.6Confident42 Ų4257.4 Ų57.418%0.18331%0.31CS..EExtended strand (participates in β ladder)trans-98133.3179.6-66175.3173.272.40109.2E574 I589 E601 L661 F666E574-K622 PolarHBondContact N-O 3.19Å; I589-K622 HydrophobicContact CG2-CB 3.86Å; I589-K622 HydrophobicContact CG2-CD 4.32Å; I589-K622 HydrophobicContact CG2-CG 4.1Å; E601-K622 IonicContact OE2-NZ 3.67Å; K622-L661 HydrophobicContact CD-CD1 3.92Å; K622-F666 HydrophobicContact CD-CD1 4.48Å; K622-F666 HydrophobicContact CD-CE1 4.37Å; K622-F666 VanDerWaalsContact CE-CE1 3.42Å; K622-F666 HydrophobicContact CG-CE1 4.36Å; K622-F666 HydrophobicContact CG-CZ 4.22Å
623H94.8Very high85.6Confident13 Ų1351.9 Ų51.96%0.0628%0.28CS..EExtended strand (participates in β ladder)trans-118.6137.2173.3-48.6-64.7000109.7E537 K575 I589 V590E537-H623 IonicContact OE1-NE2 3.65Å; E537-H623 IonicContact OE2-CD2 3.85Å; E537-H623 PolarHBondContact OE2-CD2 2.99Å; E537-H623 IonicContact OE2-NE2 3.49Å; E537-H623 PolarHBondContact OE2-NE2 3.36Å; K575-H623 HydrophobicContact CB-CB 4.34Å; K575-H623 VanDerWaalsContact CB-ND1 3.34Å; K575-H623 WeakPolarHBondContact CB-ND1 3.32Å; K575-H623 CarbonylContact O-C 3.55Å; K575-H623 WeakPolarHBondContact O-CA 3.48Å; I589-H623 CarbonylContact C-O 3.53Å; I589-H623 WeakPolarHBondContact CA-O 3.44Å; V590-H623 HydrophobicContact CG2-CB 3.7Å; V590-H623 PolarHBondContact N-O 2.77Å; V590-H623 PolarHBondContact O-N 3.05Å
624L96.3Very high86.6Confident0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-93.2116.1175.117967.7000108.5M565 L569 V573 K575 V576 T577 C587 C588 I589 I626 A660M565-L624 HydrophobicContact CE-CD2 3.51Å; L569-L624 HydrophobicContact CD1-CD2 3.77Å; V573-L624 HydrophobicContact CG1-CB 4.26Å; K575-L624 PolarHBondContact O-N 3.2Å; V576-L624 CarbonylContact C-O 3.46Å; V576-L624 VanDerWaalsContact CA-O 3.28Å; V576-L624 WeakPolarHBondContact CA-O 3.48Å; V576-L624 HydrophobicContact CG1-CB 4.34Å; V576-L624 HydrophobicContact CG1-CD2 4.1Å; V576-L624 HydrophobicContact CG1-CG 4.31Å; V576-L624 HydrophobicContact CG2-CB 4.2Å; V576-L624 HydrophobicContact CG2-CD2 4.27Å; T577-L624 PolarHBondContact N-O 3.05Å; C587-L624 HydrophobicContact CB-CD1 3.81Å; C588-L624 WeakPolarHBondContact O-CA 3.27Å; I589-L624 HydrophobicContact CD1-CB 4.07Å; I589-L624 HydrophobicContact CD1-CD1 3.52Å; I589-L624 HydrophobicContact CD1-CG 4.39Å; L624-I626 HydrophobicContact CG-CG2 4.39Å; L624-A660 HydrophobicContact CD1-CB 4.39Å
625E95.5Very high87.9Confident12 Ų1251 Ų516%0.05627%0.268CS..EExtended strand (participates in β ladder)trans-98.6135.2170.5-50.5-170.4171.400110.1T577 S579 R581 C587 C588 V590T577-E625 HydrophobicContact CG2-CG 4.07Å; T577-E625 CarbonylContact O-C 3.4Å; T577-E625 VanDerWaalsContact O-CA 3.23Å; T577-E625 WeakPolarHBondContact O-CA 3.26Å; S579-E625 WeakPolarHBondContact CB-OE2 3.26Å; S579-E625 PolarHBondContact OG-OE2 3.25Å; R581-E625 IonicContact CZ-OE1 2.71Å; R581-E625 IonicContact CZ-OE2 2.79Å; R581-E625 IonicContact NE-OE1 2.86Å; R581-E625 IonicContact NE-OE2 2.62Å; R581-E625 PolarHBondContact NE-OE2 2.86Å; R581-E625 IonicContact NH2-OE1 2.84Å; R581-E625 PolarHBondContact NH2-OE1 2.98Å; R581-E625 IonicContact NH2-OE2 2.75Å; C587-E625 CarbonylContact C-O 3.53Å; C587-E625 WeakPolarHBondContact CA-O 3.38Å; C587-E625 WeakPolarHBondContact CB-O 3.48Å; C588-E625 PolarHBondContact N-O 2.99Å; C588-E625 PolarHBondContact O-N 2.93Å; V590-E625 HydrophobicContact CG1-CG 3.97Å; V590-E625 HydrophobicContact CG2-CG 3.82Å
626I96.4Very high89.1Confident0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-110.5149-17967169.8000111.9Y558 L561 M565 V576 T577 V578 S579 C587 L624 M633Y558-I626 HydrophobicContact CD1-CD1 4.21Å; Y558-I626 HydrophobicContact CG-CD1 4.37Å; L561-I626 HydrophobicContact CD2-CD1 4.44Å; M565-I626 HydrophobicContact CE-CG2 4.24Å; M565-I626 HydrophobicContact SD-CG2 4.07Å; V576-I626 HydrophobicContact CG1-CG2 4.22Å; T577-I626 PolarHBondContact O-N 3.22Å; V578-I626 HydrophobicContact CG2-CD1 4.36Å; V578-I626 HydrophobicContact CG2-CG1 4.22Å; S579-I626 WeakPolarHBondContact CB-O 3.33Å; S579-I626 PolarHBondContact N-O 2.78Å; C587-I626 HydrophobicContact CB-CG2 4.16Å; L624-I626 HydrophobicContact CG-CG2 4.39Å; I626-M633 HydrophobicContact CB-CG 4.48Å; I626-M633 HydrophobicContact CB-SD 3.95Å; I626-M633 HydrophobicContact CG2-CE 4.48Å; I626-M633 HydrophobicContact CG2-SD 4.04Å
627N95.4Very high90.4Very high2 Ų248.2 Ų48.21%0.01124%0.236CC..  trans-97.5109.3177.6-178.4-0.4000110.7L582 V583 S585 P586 D629 H630 M633L582-N627 HydrophobicContact CB-CB 3.88Å; L582-N627 HydrophobicContact CD1-CB 4.04Å; V583-N627 PolarHBondContact O-ND2 3.25Å; S585-N627 WeakPolarHBondContact O-CB 3.49Å; S585-N627 PolarHBondContact O-ND2 2.97Å; P586-N627 WeakPolarHBondContact O-CB 3.48Å; P586-N627 PolarHBondContact O-N 3.2Å; N627-D629 PolarHBondContact O-N 2.79Å; N627-D629 PolarHBondContact OD1-N 2.76Å; N627-D629 VanDerWaalsContact OD1-N 3.14Å; N627-H630 HydrophobicContact CB-CB 4.1Å; N627-H630 WeakPolarHBondContact O-CB 3.41Å; N627-H630 PolarHBondContact O-N 2.84Å; N627-M633 VanDerWaalsContact O-CB 3.29Å; N627-M633 WeakPolarHBondContact O-CB 3.42Å; N627-M633 VanDerWaalsContact O-CG 3.27Å; N627-M633 WeakPolarHBondContact O-CG 3.26Å
628P93.9Very high91.7Very high13 Ų1342.8 Ų42.88%0.08422%0.219CC..THydrogen-bonded Turntrans-70.5-19.8-175.130.3-33.4000112.9D554 Y558 V578 H630D554-P628 HydrophobicContact CB-CB 3.98Å; D554-P628 HydrophobicContact CB-CG 4.07Å; Y558-P628 HydrophobicContact CD2-CB 3.75Å; Y558-P628 HydrophobicContact CE2-CB 3.36Å; Y558-P628 PolarHBondContact OH-O 3.4Å; V578-P628 HydrophobicContact CG1-CB 4.17Å; V578-P628 HydrophobicContact CG1-CG 3.64Å; P628-H630 VanDerWaalsContact C-N 3.32Å
629D92.4Very high92.3Very high87 Ų8742.8 Ų42.847%0.46522%0.216SC..THydrogen-bonded Turntrans-84.3-6.9178.5-66.2-37.4000112.2K550 N627K550-D629 IonicContact NZ-OD1 2.66Å; K550-D629 PolarHBondContact NZ-OD1 2.96Å; K550-D629 IonicContact NZ-OD2 3.5Å; K550-D629 PolarHBondContact NZ-OD2 2.75Å; N627-D629 PolarHBondContact O-N 2.79Å; N627-D629 PolarHBondContact OD1-N 2.76Å; N627-D629 VanDerWaalsContact OD1-N 3.14Å
630H95.8Very high92.9Very high35 Ų3540.4 Ų40.416%0.16221%0.207CC..SBendtrans-83.6133.1-175.4-164.2-80.4000112.4S584 P586 N627 P628 I632 M633 E634S584-H630 PolarHBondContact O-CD2 3.39Å; S584-H630 PolarHBondContact O-NE2 3.12Å; P586-H630 HydrophobicContact CB-CB 4.4Å; N627-H630 HydrophobicContact CB-CB 4.1Å; N627-H630 WeakPolarHBondContact O-CB 3.41Å; N627-H630 PolarHBondContact O-N 2.84Å; P628-H630 VanDerWaalsContact C-N 3.32Å; H630-I632 VanDerWaalsContact C-N 3.3Å; H630-I632 VanDerWaalsContact CE1-CD1 3.49Å; H630-I632 WeakPolarHBondContact CE1-CD1 3.21Å; H630-I632 VanDerWaalsContact CE1-CG1 3.49Å; H630-I632 WeakPolarHBondContact CE1-CG1 3.41Å; H630-I632 WeakPolarHBondContact ND1-CB 3.46Å; H630-I632 PolarHBondContact ND1-N 2.96Å; H630-I632 VanDerWaalsContact ND1-N 3.15Å; H630-I632 PolarHBondContact O-N 3.37Å; H630-M633 HydrophobicContact CB-CB 4.47Å; H630-M633 HydrophobicContact CB-CG 4.29Å; H630-M633 PolarHBondContact O-N 3.04Å; H630-E634 PolarHBondContact O-N 2.63Å
631P95.1Very high93.4Very high93 Ų9345.5 Ų45.560%0.60423%0.229SC*.Hα-helixtrans-56.8-37.3-178.1-2834.8000114.8M633 E634 T635P631-M633 VanDerWaalsContact C-N 3.32Å; P631-M633 PolarHBondContact O-N 3.28Å; P631-E634 PolarHBondContact O-N 3.15Å; P631-T635 WeakPolarHBondContact O-CB 3.49Å; P631-T635 PolarHBondContact O-N 3.19Å; P631-T635 PolarHBondContact O-OG1 2.9Å
632I94.5Very high93.6Very high63 Ų6344.4 Ų44.432%0.32324%0.24SC..Hα-helixtrans-59.7-42.1174.2-63.7174.4000111.1H630 T635 L636 L656H630-I632 VanDerWaalsContact C-N 3.3Å; H630-I632 VanDerWaalsContact CE1-CD1 3.49Å; H630-I632 WeakPolarHBondContact CE1-CD1 3.21Å; H630-I632 VanDerWaalsContact CE1-CG1 3.49Å; H630-I632 WeakPolarHBondContact CE1-CG1 3.41Å; H630-I632 WeakPolarHBondContact ND1-CB 3.46Å; H630-I632 PolarHBondContact ND1-N 2.96Å; H630-I632 VanDerWaalsContact ND1-N 3.15Å; H630-I632 PolarHBondContact O-N 3.37Å; I632-T635 PolarHBondContact O-N 3.49Å; I632-L636 HydrophobicContact CG2-CD1 3.98Å; I632-L636 HydrophobicContact CG2-CG 4.36Å; I632-L636 WeakPolarHBondContact O-CB 3.48Å; I632-L636 WeakPolarHBondContact O-CG 3.29Å; I632-L636 PolarHBondContact O-N 2.8Å; I632-L656 HydrophobicContact CG2-CD1 3.85Å; I632-L656 HydrophobicContact CG2-CD2 4.32Å
633M94.6Very high93.4Very high0 Ų046.2 Ų46.20%025%0.252CS..Hα-helixtrans-70.6-41.1-177.5-69.6-63147.900111.3Y558 P586 C587 I626 N627 H630 P631 T635 L636 R637 L656Y558-M633 HydrophobicContact CE1-CB 4.24Å; P586-M633 HydrophobicContact CB-CE 3.78Å; P586-M633 WeakPolarHBondContact O-CE 3.28Å; P586-M633 WeakPolarHBondContact O-CG 3.47Å; C587-M633 HydrophobicContact CB-CE 4Å; I626-M633 HydrophobicContact CB-CG 4.48Å; I626-M633 HydrophobicContact CB-SD 3.95Å; I626-M633 HydrophobicContact CG2-CE 4.48Å; I626-M633 HydrophobicContact CG2-SD 4.04Å; N627-M633 VanDerWaalsContact O-CB 3.29Å; N627-M633 WeakPolarHBondContact O-CB 3.42Å; N627-M633 VanDerWaalsContact O-CG 3.27Å; N627-M633 WeakPolarHBondContact O-CG 3.26Å; H630-M633 HydrophobicContact CB-CB 4.47Å; H630-M633 HydrophobicContact CB-CG 4.29Å; H630-M633 PolarHBondContact O-N 3.04Å; P631-M633 VanDerWaalsContact C-N 3.32Å; P631-M633 PolarHBondContact O-N 3.28Å; M633-T635 VanDerWaalsContact C-N 3.34Å; M633-T635 PolarHBondContact O-N 2.75Å; M633-L636 HydrophobicContact CE-CD1 4.19Å; M633-L636 PolarHBondContact O-N 3.36Å; M633-L636 HydrophobicContact SD-CD1 4.15Å; M633-R637 WeakPolarHBondContact O-CB 3.33Å; M633-R637 PolarHBondContact O-N 3.25Å; M633-L656 HydrophobicContact CE-CD1 4.06Å
634E93.6Very high92.9Very high43 Ų4352 Ų5220%0.20128%0.277CS..Hα-helixtrans-62.8-41.6174179.156.6-143.600111.4K557 Y558 H630 P631 R637 Q638K557-E634 WeakPolarHBondContact CE-OE2 3.14Å; K557-E634 IonicContact NZ-OE2 3.06Å; K557-E634 PolarHBondContact NZ-OE2 3.01Å; Y558-E634 PolarHBondContact OH-OE2 2.88Å; H630-E634 PolarHBondContact O-N 2.63Å; P631-E634 PolarHBondContact O-N 3.15Å; E634-R637 WeakPolarHBondContact O-CB 3.2Å; E634-R637 PolarHBondContact O-N 3Å; E634-R637 IonicContact OE1-CZ 2.73Å; E634-R637 IonicContact OE1-NE 2.6Å; E634-R637 PolarHBondContact OE1-NE 3.41Å; E634-R637 IonicContact OE1-NH2 3.51Å; E634-R637 PolarHBondContact OE1-NH2 2.91Å; E634-R637 IonicContact OE2-NE 2.71Å; E634-R637 PolarHBondContact OE2-NE 3.21Å; E634-Q638 WeakPolarHBondContact O-CG 3.19Å; E634-Q638 PolarHBondContact O-N 3.03Å; E634-Q638 PolarHBondContact OE1-NE2 3.48Å
635T93.8Very high92.4Very high73 Ų7357 Ų5745%0.44830%0.304SS..Hα-helixtrans-65.3-41.9177.2-55.20000111.5P631 I632 M633 R637 Q638 K639P631-T635 WeakPolarHBondContact O-CB 3.49Å; P631-T635 PolarHBondContact O-N 3.19Å; P631-T635 PolarHBondContact O-OG1 2.9Å; I632-T635 PolarHBondContact O-N 3.49Å; M633-T635 VanDerWaalsContact C-N 3.34Å; M633-T635 PolarHBondContact O-N 2.75Å; T635-R637 VanDerWaalsContact C-N 3.33Å; T635-R637 PolarHBondContact O-N 3.25Å; T635-Q638 PolarHBondContact O-N 3.08Å; T635-K639 PolarHBondContact O-N 2.56Å
636L92.8Very high91.9Very high2 Ų258.7 Ų58.71%0.0131%0.313CS..Hα-helixtrans-62.3-40.4175.4-81173.2000112L561 I632 M633 K639 A640 V649 L652 V653 L656L561-L636 HydrophobicContact CD1-CB 4.11Å; L561-L636 HydrophobicContact CD2-CB 4.07Å; I632-L636 HydrophobicContact CG2-CD1 3.98Å; I632-L636 HydrophobicContact CG2-CG 4.36Å; I632-L636 WeakPolarHBondContact O-CB 3.48Å; I632-L636 WeakPolarHBondContact O-CG 3.29Å; I632-L636 PolarHBondContact O-N 2.8Å; M633-L636 HydrophobicContact CE-CD1 4.19Å; M633-L636 PolarHBondContact O-N 3.36Å; M633-L636 HydrophobicContact SD-CD1 4.15Å; L636-K639 PolarHBondContact O-N 3.37Å; L636-A640 VanDerWaalsContact O-CB 3.24Å; L636-A640 WeakPolarHBondContact O-CB 2.92Å; L636-A640 PolarHBondContact O-N 3.35Å; L636-V649 HydrophobicContact CD2-CG1 4.13Å; L636-L652 HydrophobicContact CD2-CD2 3.84Å; L636-L652 HydrophobicContact CD2-CG 4.32Å; L636-L652 HydrophobicContact CG-CD2 4.46Å; L636-V653 HydrophobicContact CD2-CG2 4.32Å; L636-L656 HydrophobicContact CD1-CD1 3.45Å; L636-L656 VanDerWaalsContact CD1-CD1 3.45Å
637R94.1Very high91.2Very high33 Ų3365.4 Ų65.413%0.12534%0.342CS..Hα-helixtrans-59.9-49.9175.5-169.7-164.86773.211.5110.9Y558 L561 M633 E634 T635 K639 A640 E641Y558-R637 HydrophobicContact CD1-CB 4.12Å; Y558-R637 HydrophobicContact CD1-CG 4.13Å; Y558-R637 HydrophobicContact CE1-CB 3.82Å; Y558-R637 HydrophobicContact CE1-CG 4.18Å; L561-R637 HydrophobicContact CD2-CB 4.18Å; M633-R637 WeakPolarHBondContact O-CB 3.33Å; M633-R637 PolarHBondContact O-N 3.25Å; E634-R637 WeakPolarHBondContact O-CB 3.2Å; E634-R637 PolarHBondContact O-N 3Å; E634-R637 IonicContact OE1-CZ 2.73Å; E634-R637 IonicContact OE1-NE 2.6Å; E634-R637 PolarHBondContact OE1-NE 3.41Å; E634-R637 IonicContact OE1-NH2 3.51Å; E634-R637 PolarHBondContact OE1-NH2 2.91Å; E634-R637 IonicContact OE2-NE 2.71Å; E634-R637 PolarHBondContact OE2-NE 3.21Å; T635-R637 VanDerWaalsContact C-N 3.33Å; T635-R637 PolarHBondContact O-N 3.25Å; R637-K639 PolarHBondContact O-N 2.97Å; R637-A640 PolarHBondContact O-N 3.08Å; R637-E641 IonicContact CZ-OE1 3.34Å; R637-E641 IonicContact CZ-OE2 3.21Å; R637-E641 IonicContact NH1-OE1 2.77Å; R637-E641 PolarHBondContact NH1-OE1 3.36Å; R637-E641 IonicContact NH1-OE2 2.81Å; R637-E641 PolarHBondContact NH1-OE2 3.38Å; R637-E641 IonicContact NH2-OE2 3.48Å; R637-E641 WeakPolarHBondContact O-CG 3.48Å; R637-E641 PolarHBondContact O-N 3.39Å
638Q93.3Very high90.5Very high101 Ų10168 Ų6847%0.47236%0.364SS..Hα-helixtrans-61.6-42.3178.9-68.5174.413.300112.2E634 T635 E641 A642E634-Q638 WeakPolarHBondContact O-CG 3.19Å; E634-Q638 PolarHBondContact O-N 3.03Å; E634-Q638 PolarHBondContact OE1-NE2 3.48Å; T635-Q638 PolarHBondContact O-N 3.08Å; Q638-E641 PolarHBondContact O-N 3.24Å; Q638-A642 PolarHBondContact O-N 2.95Å
639K90.4Very high90Very high97 Ų9767.5 Ų67.542%0.42236%0.361SS..Hα-helixtrans-66.4-39.8176.2-76-158.4169.6-157.70112.7T635 L636 R637 E641 A642 D643 V649T635-K639 PolarHBondContact O-N 2.56Å; L636-K639 PolarHBondContact O-N 3.37Å; R637-K639 PolarHBondContact O-N 2.97Å; K639-E641 VanDerWaalsContact C-N 3.28Å; K639-E641 PolarHBondContact O-N 3.07Å; K639-A642 PolarHBondContact O-N 2.98Å; K639-D643 PolarHBondContact O-N 3.31Å; K639-V649 HydrophobicContact CB-CG2 3.65Å; K639-V649 HydrophobicContact CD-CG2 3.78Å; K639-V649 HydrophobicContact CG-CG2 4.38Å
640A89.3Confident89.8Confident18 Ų1866.7 Ų66.715%0.14935%0.353CS..Hα-helixtrans-64.3-34176.100000112.4L561 L564 L636 R637 K644L561-A640 HydrophobicContact CD1-CB 4.01Å; L564-A640 HydrophobicContact CD2-CB 3.57Å; L636-A640 VanDerWaalsContact O-CB 3.24Å; L636-A640 WeakPolarHBondContact O-CB 2.92Å; L636-A640 PolarHBondContact O-N 3.35Å; R637-A640 PolarHBondContact O-N 3.08Å; A640-K644 PolarHBondContact O-N 3.19Å
641E89.3Confident89.3Confident117 Ų11768 Ų6855%0.54736%0.362SS..Hα-helixtrans-70.4-35173.3-74.2177.7165.800112.8R637 Q638 K639R637-E641 IonicContact CZ-OE1 3.34Å; R637-E641 IonicContact CZ-OE2 3.21Å; R637-E641 IonicContact NH1-OE1 2.77Å; R637-E641 PolarHBondContact NH1-OE1 3.36Å; R637-E641 IonicContact NH1-OE2 2.81Å; R637-E641 PolarHBondContact NH1-OE2 3.38Å; R637-E641 IonicContact NH2-OE2 3.48Å; R637-E641 WeakPolarHBondContact O-CG 3.48Å; R637-E641 PolarHBondContact O-N 3.39Å; Q638-E641 PolarHBondContact O-N 3.24Å; K639-E641 VanDerWaalsContact C-N 3.28Å; K639-E641 PolarHBondContact O-N 3.07Å
642A91.6Very high89Confident88 Ų8866.8 Ų66.873%0.72735%0.35SS*.Hα-helixtrans-72.2-49.7176.900000112.3Q638 K639Q638-A642 PolarHBondContact O-N 2.95Å; K639-A642 PolarHBondContact O-N 2.98Å
643D88.1Confident88.9Confident80 Ų8063.8 Ų63.843%0.42833%0.334SS..  trans-153.7107.3175.1-175.26.2000112K639 N645 D646K639-D643 PolarHBondContact O-N 3.31Å; D643-N645 PolarHBondContact O-N 2.82Å; D643-N645 WeakPolarHBondContact OD1-CA 3.36Å; D643-N645 WeakPolarHBondContact OD1-CB 3.44Å; D643-N645 PolarHBondContact OD1-N 3.21Å; D643-D646 HydrophobicContact CB-CB 4.37Å; D643-D646 PolarHBondContact O-N 3.17Å
644K85Confident88.7Confident136 Ų13664.8 Ų64.859%0.59134%0.34SS*.THydrogen-bonded Turntrans-64.9-16175.165.9177.7-178.21760114.3L564 A640L564-K644 HydrophobicContact CD1-CB 4.38Å; L564-K644 HydrophobicContact CD2-CB 4.48Å; A640-K644 PolarHBondContact O-N 3.19Å
645N86.1Confident88.7Confident103 Ų10363.7 Ų63.755%0.55134%0.336SS*.THydrogen-bonded Turntrans-99.82.4-179.3-71.9-44.4000113.9D643 K647D643-N645 PolarHBondContact O-N 2.82Å; D643-N645 WeakPolarHBondContact OD1-CA 3.36Å; D643-N645 WeakPolarHBondContact OD1-CB 3.44Å; D643-N645 PolarHBondContact OD1-N 3.21Å; N645-K647 PolarHBondContact O-N 2.88Å; N645-K647 VanDerWaalsContact O-N 3.14Å
646D84.9Confident88.7Confident49 Ų4961 Ų6126%0.26232%0.319SS..  trans-57.3117.8176.9-176.7-12.9000110.6D643 A648 V649 K650D643-D646 HydrophobicContact CB-CB 4.37Å; D643-D646 PolarHBondContact O-N 3.17Å; D646-A648 VanDerWaalsContact C-N 3.3Å; D646-A648 PolarHBondContact O-N 2.92Å; D646-A648 WeakPolarHBondContact OD1-CB 3.21Å; D646-A648 PolarHBondContact OD1-N 2.83Å; D646-V649 HydrophobicContact CB-CB 4.11Å; D646-V649 HydrophobicContact CB-CG2 3.76Å; D646-V649 WeakPolarHBondContact O-CB 3.15Å; D646-V649 PolarHBondContact O-N 3.5Å; D646-K650 PolarHBondContact O-N 3.37Å; D646-K650 VanDerWaalsContact O-N 3.14Å
647K80.8Confident88.8Confident140 Ų14061.1 Ų61.161%0.60932%0.319SS*.Hα-helixtrans-63-36.3-179.4-172.3176.8178.8-179.60111.9N645 V649 K650 D651N645-K647 PolarHBondContact O-N 2.88Å; N645-K647 VanDerWaalsContact O-N 3.14Å; K647-V649 VanDerWaalsContact C-N 3.3Å; K647-V649 PolarHBondContact O-N 2.82Å; K647-K650 PolarHBondContact O-N 2.92Å; K647-D651 PolarHBondContact O-N 2.93Å
648A80.4Confident88.8Confident57 Ų5760.2 Ų60.247%0.47132%0.316SS..Hα-helixtrans-66.2-35.317800000111.5D646 L652D646-A648 VanDerWaalsContact C-N 3.3Å; D646-A648 PolarHBondContact O-N 2.92Å; D646-A648 WeakPolarHBondContact OD1-CB 3.21Å; D646-A648 PolarHBondContact OD1-N 2.83Å; A648-L652 WeakPolarHBondContact O-CB 3.48Å; A648-L652 PolarHBondContact O-N 2.97Å
649V84.9Confident88.8Confident3 Ų358.6 Ų58.62%0.01831%0.313CS..Hα-helixtrans-65.4-45.2173.6174.80000110.5L636 K639 D646 K647 D651 L652 V653L636-V649 HydrophobicContact CD2-CG1 4.13Å; K639-V649 HydrophobicContact CB-CG2 3.65Å; K639-V649 HydrophobicContact CD-CG2 3.78Å; K639-V649 HydrophobicContact CG-CG2 4.38Å; D646-V649 HydrophobicContact CB-CB 4.11Å; D646-V649 HydrophobicContact CB-CG2 3.76Å; D646-V649 WeakPolarHBondContact O-CB 3.15Å; D646-V649 PolarHBondContact O-N 3.5Å; K647-V649 VanDerWaalsContact C-N 3.3Å; K647-V649 PolarHBondContact O-N 2.82Å; V649-D651 PolarHBondContact O-N 3.26Å; V649-L652 PolarHBondContact O-N 3.19Å; V649-V653 WeakPolarHBondContact O-CG2 3.14Å; V649-V653 PolarHBondContact O-N 3.07Å
650K87.3Confident89Confident69 Ų6954.2 Ų54.230%0.330%0.295SS..Hα-helixtrans-61.2-45.4177.9-65.3-177.2-179.9175.20111.9I568 D646 K647 L652 V653 V654I568-K650 HydrophobicContact CD1-CB 4.33Å; I568-K650 HydrophobicContact CD1-CG 3.87Å; I568-K650 HydrophobicContact CG1-CB 4.49Å; I568-K650 HydrophobicContact CG1-CG 4Å; D646-K650 PolarHBondContact O-N 3.37Å; D646-K650 VanDerWaalsContact O-N 3.14Å; K647-K650 PolarHBondContact O-N 2.92Å; K650-L652 VanDerWaalsContact C-N 3.35Å; K650-L652 PolarHBondContact O-N 3.17Å; K650-V653 PolarHBondContact O-N 3.2Å; K650-V654 WeakPolarHBondContact O-CG2 3.46Å; K650-V654 PolarHBondContact O-N 2.97Å; K650-V654 VanDerWaalsContact O-N 3.1Å
651D84.6Confident89.2Confident64 Ų6453.7 Ų53.734%0.34229%0.29SS..Hα-helixtrans-63.7-39.7177.9-73.7-23.3000111.9K647 V649 V654 L655K647-D651 PolarHBondContact O-N 2.93Å; V649-D651 PolarHBondContact O-N 3.26Å; D651-V654 PolarHBondContact O-N 2.72Å; D651-L655 PolarHBondContact O-N 2.79Å
652L88.7Confident89.3Confident67 Ų6752.9 Ų52.935%0.35129%0.289SS..Hα-helixtrans-67.3-38.8176.9-175.360.2000112.4L636 A648 V649 K650 V654 L655 L656L636-L652 HydrophobicContact CD2-CD2 3.84Å; L636-L652 HydrophobicContact CD2-CG 4.32Å; L636-L652 HydrophobicContact CG-CD2 4.46Å; A648-L652 WeakPolarHBondContact O-CB 3.48Å; A648-L652 PolarHBondContact O-N 2.97Å; V649-L652 PolarHBondContact O-N 3.19Å; K650-L652 VanDerWaalsContact C-N 3.35Å; K650-L652 PolarHBondContact O-N 3.17Å; L652-V654 VanDerWaalsContact C-N 3.35Å; L652-L655 HydrophobicContact CD1-CD2 4.08Å; L652-L655 PolarHBondContact O-N 3.25Å; L652-L656 HydrophobicContact CG-CD1 4.18Å; L652-L656 WeakPolarHBondContact O-CB 3.4Å; L652-L656 WeakPolarHBondContact O-CG 3.44Å; L652-L656 PolarHBondContact O-N 3.07Å
653V92.5Very high89.3Confident0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-62.1-43.1174.5167.60000111M565 I568 L569 L636 V649 K650 L656 F657M565-V653 HydrophobicContact CB-CG1 4.22Å; M565-V653 HydrophobicContact CE-CG1 4.01Å; M565-V653 HydrophobicContact CE-CG2 4.44Å; M565-V653 HydrophobicContact CG-CG1 3.93Å; M565-V653 HydrophobicContact CG-CG2 4.06Å; I568-V653 HydrophobicContact CB-CG1 4.21Å; I568-V653 HydrophobicContact CD1-CB 4.03Å; I568-V653 HydrophobicContact CD1-CG1 4.01Å; I568-V653 HydrophobicContact CD1-CG2 4.05Å; I568-V653 HydrophobicContact CG2-CB 4.37Å; I568-V653 HydrophobicContact CG2-CG1 3.95Å; L569-V653 HydrophobicContact CD1-CG1 4.08Å; L569-V653 HydrophobicContact CG-CG1 4.15Å; L636-V653 HydrophobicContact CD2-CG2 4.32Å; V649-V653 WeakPolarHBondContact O-CG2 3.14Å; V649-V653 PolarHBondContact O-N 3.07Å; K650-V653 PolarHBondContact O-N 3.2Å; V653-L656 PolarHBondContact O-N 3.22Å; V653-F657 WeakPolarHBondContact O-CB 3.46Å; V653-F657 PolarHBondContact O-N 3.15Å
654V92.2Very high89.5Confident21 Ų2149.1 Ų49.113%0.12726%0.263CS..Hα-helixtrans-64.5-42.9177175.30000111.2I568 L569 K650 D651 L652 F657 E658I568-V654 HydrophobicContact CG2-CG2 3.78Å; L569-V654 HydrophobicContact CD2-CG2 4.3Å; K650-V654 WeakPolarHBondContact O-CG2 3.46Å; K650-V654 PolarHBondContact O-N 2.97Å; K650-V654 VanDerWaalsContact O-N 3.1Å; D651-V654 PolarHBondContact O-N 2.72Å; L652-V654 VanDerWaalsContact C-N 3.35Å; V654-F657 WeakPolarHBondContact O-CB 3.25Å; V654-F657 PolarHBondContact O-N 3Å; V654-E658 WeakPolarHBondContact CG1-OE1 3.37Å; V654-E658 WeakPolarHBondContact O-CG 3.37Å; V654-E658 PolarHBondContact O-N 3.31Å
655L91.6Very high89.7Confident20 Ų2043.6 Ų43.611%0.10525%0.245CC..Hα-helixtrans-60.3-48.2175.4176.874.8000112D651 L652 F657 E658 T659 I678 M681D651-L655 PolarHBondContact O-N 2.79Å; L652-L655 HydrophobicContact CD1-CD2 4.08Å; L652-L655 PolarHBondContact O-N 3.25Å; L655-F657 VanDerWaalsContact C-N 3.26Å; L655-F657 PolarHBondContact O-N 2.8Å; L655-E658 PolarHBondContact O-N 3.35Å; L655-T659 WeakPolarHBondContact O-CB 3.28Å; L655-T659 PolarHBondContact O-N 3.12Å; L655-T659 PolarHBondContact O-OG1 2.66Å; L655-I678 HydrophobicContact CD1-CG1 4.39Å; L655-M681 HydrophobicContact CD1-CE 3.45Å; L655-M681 VanDerWaalsContact CD1-CE 3.45Å; L655-M681 HydrophobicContact CD1-SD 4.47Å; L655-M681 HydrophobicContact CD2-CE 3.36Å; L655-M681 HydrophobicContact CD2-SD 3.35Å; L655-M681 WeakPolarHBondContact CD2-SD 3.44Å; L655-M681 HydrophobicContact CG-CE 3.97Å; L655-M681 HydrophobicContact CG-SD 4.42Å
656L94.1Very high90Very high16 Ų1639.1 Ų39.18%0.08422%0.22CC..Hα-helixtrans-59.8-41.5178.7-77.9166.9000110.9P586 I632 M633 L636 L652 V653 A660P586-L656 HydrophobicContact CG-CD2 4.16Å; I632-L656 HydrophobicContact CG2-CD1 3.85Å; I632-L656 HydrophobicContact CG2-CD2 4.32Å; M633-L656 HydrophobicContact CE-CD1 4.06Å; L636-L656 HydrophobicContact CD1-CD1 3.45Å; L636-L656 VanDerWaalsContact CD1-CD1 3.45Å; L652-L656 HydrophobicContact CG-CD1 4.18Å; L652-L656 WeakPolarHBondContact O-CB 3.4Å; L652-L656 WeakPolarHBondContact O-CG 3.44Å; L652-L656 PolarHBondContact O-N 3.07Å; V653-L656 PolarHBondContact O-N 3.22Å; L656-A660 WeakPolarHBondContact O-CB 3.33Å; L656-A660 PolarHBondContact O-N 3.01Å
657F95.1Very high90.1Very high5 Ų539.7 Ų39.72%0.02223%0.228CC..Hα-helixtrans-60.2-51174.8167.2-97.4000112.3L569 K572 V573 I589 V653 V654 L655 T659 A660 L661L569-F657 HydrophobicContact CD1-CB 3.77Å; L569-F657 HydrophobicContact CD1-CD2 3.93Å; L569-F657 HydrophobicContact CD1-CG 3.95Å; L569-F657 HydrophobicContact CD2-CB 3.77Å; L569-F657 HydrophobicContact CD2-CD1 4.04Å; L569-F657 HydrophobicContact CD2-CD2 4.4Å; L569-F657 HydrophobicContact CD2-CG 3.78Å; L569-F657 HydrophobicContact CG-CB 4.44Å; L569-F657 HydrophobicContact CG-CG 4.49Å; K572-F657 HydrophobicContact CB-CE1 3.97Å; K572-F657 HydrophobicContact CB-CE2 4.34Å; K572-F657 HydrophobicContact CB-CZ 3.78Å; K572-F657 HydrophobicContact CD-CD1 3.91Å; K572-F657 HydrophobicContact CD-CE1 3.52Å; K572-F657 HydrophobicContact CD-CZ 4.22Å; K572-F657 HydrophobicContact CG-CE1 4.35Å; V573-F657 HydrophobicContact CG1-CD2 3.74Å; V573-F657 HydrophobicContact CG1-CE2 3.28Å; V573-F657 HydrophobicContact CG1-CZ 4.23Å; I589-F657 HydrophobicContact CD1-CD2 3.67Å; I589-F657 HydrophobicContact CD1-CE2 3.6Å; I589-F657 HydrophobicContact CG1-CE2 4.38Å; V653-F657 WeakPolarHBondContact O-CB 3.46Å; V653-F657 PolarHBondContact O-N 3.15Å; V654-F657 WeakPolarHBondContact O-CB 3.25Å; V654-F657 PolarHBondContact O-N 3Å; L655-F657 VanDerWaalsContact C-N 3.26Å; L655-F657 PolarHBondContact O-N 2.8Å; F657-T659 VanDerWaalsContact C-N 3.32Å; F657-T659 PolarHBondContact O-N 3.32Å; F657-A660 PolarHBondContact O-N 3.22Å; F657-L661 HydrophobicContact CE1-CD2 4.09Å; F657-L661 HydrophobicContact CZ-CD1 4.32Å; F657-L661 HydrophobicContact CZ-CD2 4.05Å; F657-L661 WeakPolarHBondContact O-CB 3.48Å; F657-L661 PolarHBondContact O-N 3.09Å
658E93.8Very high90.5Very high13 Ų1334.6 Ų34.66%0.06121%0.208CC..Hα-helixtrans-66.1-37-178.3-69.8171.7-170.700112K572 V654 L655 L661 L662 L668 H674 R677K572-E658 IonicContact NZ-OE1 2.83Å; V654-E658 WeakPolarHBondContact CG1-OE1 3.37Å; V654-E658 WeakPolarHBondContact O-CG 3.37Å; V654-E658 PolarHBondContact O-N 3.31Å; L655-E658 PolarHBondContact O-N 3.35Å; E658-L661 WeakPolarHBondContact O-CB 3.18Å; E658-L661 PolarHBondContact O-N 3.08Å; E658-L662 PolarHBondContact O-N 2.92Å; E658-L668 HydrophobicContact CB-CD2 4.14Å; E658-H674 WeakPolarHBondContact CB-ND1 3.46Å; E658-H674 WeakPolarHBondContact OE2-CB 3.25Å; E658-H674 IonicContact OE2-CE1 2.69Å; E658-H674 IonicContact OE2-CG 2.77Å; E658-H674 IonicContact OE2-ND1 2.71Å; E658-H674 PolarHBondContact OE2-ND1 3.27Å; E658-R677 IonicContact OE1-CZ 3.62Å; E658-R677 IonicContact OE1-NH1 3.48Å; E658-R677 PolarHBondContact OE1-NH1 2.88Å; E658-R677 IonicContact OE1-NH2 3.52Å; E658-R677 IonicContact OE2-CZ 3.63Å; E658-R677 IonicContact OE2-NH1 2.89Å; E658-R677 PolarHBondContact OE2-NH1 3.16Å
659T93.8Very high90.7Very high68 Ų6839 Ų3942%0.41722%0.223SC..Hα-helixtrans-65.1-43.7174-51.60000110.8L655 F657 L661 L662 S663L655-T659 WeakPolarHBondContact O-CB 3.28Å; L655-T659 PolarHBondContact O-N 3.12Å; L655-T659 PolarHBondContact O-OG1 2.66Å; F657-T659 VanDerWaalsContact C-N 3.32Å; F657-T659 PolarHBondContact O-N 3.32Å; T659-L661 VanDerWaalsContact C-N 3.33Å; T659-L661 PolarHBondContact O-N 3.22Å; T659-L662 PolarHBondContact O-N 3.07Å; T659-S663 WeakPolarHBondContact O-CB 3.29Å; T659-S663 PolarHBondContact O-N 2.94Å; T659-S663 PolarHBondContact O-OG 3.12Å
660A94.3Very high90.8Very high4 Ų442.5 Ų42.53%0.03324%0.242CC..Hα-helixtrans-63.3-39.9175.400000111.4I589 L624 L656 F657 S663 S664I589-A660 HydrophobicContact CD1-CB 4.39Å; I589-A660 HydrophobicContact CG1-CB 4.04Å; L624-A660 HydrophobicContact CD1-CB 4.39Å; L656-A660 WeakPolarHBondContact O-CB 3.33Å; L656-A660 PolarHBondContact O-N 3.01Å; F657-A660 PolarHBondContact O-N 3.22Å; A660-S663 WeakPolarHBondContact CA-OG 3.27Å; A660-S663 PolarHBondContact O-N 3.13Å; A660-S663 PolarHBondContact O-OG 2.86Å; A660-S664 VanDerWaalsContact O-CB 3.25Å; A660-S664 WeakPolarHBondContact O-CB 3.41Å; A660-S664 PolarHBondContact O-N 3.07Å; A660-S664 PolarHBondContact O-OG 3.09Å
661L93.5Very high91Very high7 Ų743.1 Ų43.14%0.03725%0.253CS..Hα-helixtrans-59.5-48.9177.2-170.367000111I589 K622 F657 E658 T659 S664 G665 F666 L668I589-L661 HydrophobicContact CG1-CB 4.25Å; I589-L661 HydrophobicContact CG1-CD1 4.18Å; I589-L661 HydrophobicContact CG2-CD1 4.22Å; K622-L661 HydrophobicContact CD-CD1 3.92Å; F657-L661 HydrophobicContact CE1-CD2 4.09Å; F657-L661 HydrophobicContact CZ-CD1 4.32Å; F657-L661 HydrophobicContact CZ-CD2 4.05Å; F657-L661 WeakPolarHBondContact O-CB 3.48Å; F657-L661 PolarHBondContact O-N 3.09Å; E658-L661 WeakPolarHBondContact O-CB 3.18Å; E658-L661 PolarHBondContact O-N 3.08Å; T659-L661 VanDerWaalsContact C-N 3.33Å; T659-L661 PolarHBondContact O-N 3.22Å; L661-S664 PolarHBondContact O-N 3.12Å; L661-G665 PolarHBondContact O-N 3.45Å; L661-F666 HydrophobicContact CD1-CB 3.4Å; L661-F666 HydrophobicContact CD1-CD2 3.72Å; L661-F666 HydrophobicContact CD1-CG 3.66Å; L661-F666 HydrophobicContact CG-CB 3.66Å; L661-F666 HydrophobicContact CG-CG 4.44Å; L661-F666 PolarHBondContact O-N 3.35Å; L661-F666 VanDerWaalsContact O-N 3.09Å; L661-L668 HydrophobicContact CD2-CD2 4.21Å
662L91.7Very high91.3Very high101 Ų10145.3 Ų45.353%0.52926%0.261SS..Hα-helixtrans-63.1-49.7176.5-177.865.3000112E658 T659 S664 G665E658-L662 PolarHBondContact O-N 2.92Å; T659-L662 PolarHBondContact O-N 3.07Å; L662-S664 PolarHBondContact O-N 3.28Å; L662-S664 VanDerWaalsContact O-N 3.17Å; L662-G665 PolarHBondContact O-N 2.78Å
663S92.1Very high91.4Very high75 Ų7545 Ų4552%0.52426%0.262SS..Hα-helixtrans-62.8-22.7179.469.30000113.5T659 A660 G665T659-S663 WeakPolarHBondContact O-CB 3.29Å; T659-S663 PolarHBondContact O-N 2.94Å; T659-S663 PolarHBondContact O-OG 3.12Å; A660-S663 WeakPolarHBondContact CA-OG 3.27Å; A660-S663 PolarHBondContact O-N 3.13Å; A660-S663 PolarHBondContact O-OG 2.86Å; S663-G665 VanDerWaalsContact C-N 3.33Å
664S93Very high91.3Very high14 Ų1445.9 Ų45.910%0.09827%0.266CS..THydrogen-bonded Turntrans-89.63176.5-50.90000113I589 A598 A660 L661 L662I589-S664 PolarHBondContact N-OG 2.84Å; I589-S664 WeakPolarHBondContact O-CB 3.32Å; I589-S664 PolarHBondContact O-OG 3.42Å; A598-S664 WeakPolarHBondContact CB-O 3.4Å; A660-S664 VanDerWaalsContact O-CB 3.25Å; A660-S664 WeakPolarHBondContact O-CB 3.41Å; A660-S664 PolarHBondContact O-N 3.07Å; A660-S664 PolarHBondContact O-OG 3.09Å; L661-S664 PolarHBondContact O-N 3.12Å; L662-S664 PolarHBondContact O-N 3.28Å; L662-S664 VanDerWaalsContact O-N 3.17Å
665G89.4Confident91.1Very high19 Ų1946 Ų4620%0.19627%0.267CS..THydrogen-bonded Turntrans85.512.3174.400000115.5L661 L662 S663L661-G665 PolarHBondContact O-N 3.45Å; L662-G665 PolarHBondContact O-N 2.78Å; S663-G665 VanDerWaalsContact C-N 3.33Å
666F90.9Very high90.9Very high9 Ų948.9 Ų48.94%0.03928%0.283CS..PPolyproline II helixtrans-86.9152.2175.2-70-81.4000111.6I589 A598 K622 L661I589-F666 HydrophobicContact CB-CD2 4.3Å; I589-F666 HydrophobicContact CB-CE2 4.13Å; I589-F666 HydrophobicContact CG2-CD2 3.97Å; I589-F666 HydrophobicContact CG2-CE2 3.55Å; I589-F666 HydrophobicContact CG2-CZ 4.32Å; A598-F666 HydrophobicContact CB-CD1 3.65Å; A598-F666 HydrophobicContact CB-CD2 3.75Å; A598-F666 HydrophobicContact CB-CE1 3.59Å; A598-F666 HydrophobicContact CB-CE2 3.68Å; A598-F666 HydrophobicContact CB-CG 3.75Å; A598-F666 HydrophobicContact CB-CZ 3.62Å; K622-F666 HydrophobicContact CD-CD1 4.48Å; K622-F666 HydrophobicContact CD-CE1 4.37Å; K622-F666 VanDerWaalsContact CE-CE1 3.42Å; K622-F666 HydrophobicContact CG-CE1 4.36Å; K622-F666 HydrophobicContact CG-CZ 4.22Å; L661-F666 HydrophobicContact CD1-CB 3.4Å; L661-F666 HydrophobicContact CD1-CD2 3.72Å; L661-F666 HydrophobicContact CD1-CG 3.66Å; L661-F666 HydrophobicContact CG-CB 3.66Å; L661-F666 HydrophobicContact CG-CG 4.44Å; L661-F666 PolarHBondContact O-N 3.35Å; L661-F666 VanDerWaalsContact O-N 3.09Å
667S87.7Confident90.5Very high62 Ų6250.4 Ų50.443%0.43429%0.288SS..PPolyproline II helixtrans-72.3142.2169.9-51.80000111
668L88.3Confident90.2Very high33 Ų3353 Ų5317%0.17330%0.301CS..PPolyproline II helixtrans-75.7136.9168.4-65.4173.4000109.5E658 L661 D670 P671 H674E658-L668 HydrophobicContact CB-CD2 4.14Å; L661-L668 HydrophobicContact CD2-CD2 4.21Å; L668-D670 VanDerWaalsContact C-N 3.32Å; L668-P671 HydrophobicContact CB-CG 4.21Å; L668-H674 HydrophobicContact CD1-CB 3.98Å
669D84.6Confident89.9Confident149 Ų14958.7 Ų58.780%0.79732%0.323SS*.SBendtrans-64.8-39.2175.7-62.3-36.5000111.5
670D88.5Confident89.3Confident77 Ų7761.9 Ų61.941%0.41233%0.327SS..  trans-140.394.9176.2-179.8-0.1000110.3L668 Q672 T673 H674L668-D670 VanDerWaalsContact C-N 3.32Å; D670-Q672 PolarHBondContact O-N 2.85Å; D670-Q672 WeakPolarHBondContact OD1-CA 3.29Å; D670-Q672 VanDerWaalsContact OD1-CB 3.32Å; D670-Q672 WeakPolarHBondContact OD1-CB 3.33Å; D670-Q672 PolarHBondContact OD1-N 2.96Å; D670-T673 PolarHBondContact O-N 3.42Å; D670-T673 PolarHBondContact OD1-N 2.96Å; D670-T673 VanDerWaalsContact OD1-N 3.15Å; D670-T673 VanDerWaalsContact OD2-CB 3.24Å; D670-T673 WeakPolarHBondContact OD2-CB 3.44Å; D670-T673 PolarHBondContact OD2-OG1 3.03Å; D670-H674 PolarHBondContact O-N 2.61Å
671P91.3Very high88.7Confident82 Ų8265.2 Ų65.253%0.53234%0.343SS..Hα-helixtrans-59.3-28.4175.6-24.433.8000114.1L668 H674 S675L668-P671 HydrophobicContact CB-CG 4.21Å; P671-H674 PolarHBondContact O-N 2.94Å; P671-S675 PolarHBondContact O-N 2.91Å; P671-S675 PolarHBondContact O-OG 3.47Å
672Q90.8Very high88.2Confident110 Ų11069 Ų6951%0.51436%0.363SS..Hα-helixtrans-73.7-40.6-177.9-172.36447.700111.3D670 H674 S675 N676D670-Q672 PolarHBondContact O-N 2.85Å; D670-Q672 WeakPolarHBondContact OD1-CA 3.29Å; D670-Q672 VanDerWaalsContact OD1-CB 3.32Å; D670-Q672 WeakPolarHBondContact OD1-CB 3.33Å; D670-Q672 PolarHBondContact OD1-N 2.96Å; Q672-H674 VanDerWaalsContact C-N 3.28Å; Q672-H674 PolarHBondContact O-N 3Å; Q672-S675 WeakPolarHBondContact CA-OG 3.39Å; Q672-S675 PolarHBondContact NE2-OG 3.31Å; Q672-S675 PolarHBondContact O-N 3.32Å; Q672-S675 PolarHBondContact O-OG 3.36Å; Q672-N676 PolarHBondContact NE2-OD1 3.22Å; Q672-N676 WeakPolarHBondContact O-CB 3.44Å; Q672-N676 PolarHBondContact O-N 2.97Å; Q672-N676 PolarHBondContact O-ND2 2.83Å; Q672-N676 PolarHBondContact O-OD1 3.48Å
673T89.3Confident87.8Confident60 Ų6067.3 Ų67.337%0.36835%0.351SS..Hα-helixtrans-63.6-37.4174.2-71.60000111.4D670 R677D670-T673 PolarHBondContact O-N 3.42Å; D670-T673 PolarHBondContact OD1-N 2.96Å; D670-T673 VanDerWaalsContact OD1-N 3.15Å; D670-T673 VanDerWaalsContact OD2-CB 3.24Å; D670-T673 WeakPolarHBondContact OD2-CB 3.44Å; D670-T673 PolarHBondContact OD2-OG1 3.03Å; T673-R677 PolarHBondContact O-N 3.36Å
674H90.4Very high87.3Confident19 Ų1969.3 Ų69.39%0.08836%0.355CS..Hα-helixtrans-63-49.1174.9-177.166.5000111.9E658 L668 D670 P671 Q672 N676 R677 I678E658-H674 WeakPolarHBondContact CB-ND1 3.46Å; E658-H674 WeakPolarHBondContact OE2-CB 3.25Å; E658-H674 IonicContact OE2-CE1 2.69Å; E658-H674 IonicContact OE2-CG 2.77Å; E658-H674 IonicContact OE2-ND1 2.71Å; E658-H674 PolarHBondContact OE2-ND1 3.27Å; L668-H674 HydrophobicContact CD1-CB 3.98Å; D670-H674 PolarHBondContact O-N 2.61Å; P671-H674 PolarHBondContact O-N 2.94Å; Q672-H674 VanDerWaalsContact C-N 3.28Å; Q672-H674 PolarHBondContact O-N 3Å; H674-N676 PolarHBondContact O-N 3.49Å; H674-R677 PolarHBondContact O-N 2.8Å; H674-I678 PolarHBondContact O-N 3.43Å; H674-I678 VanDerWaalsContact O-N 3.15Å
675S89.7Confident86.8Confident22 Ų2272 Ų7215%0.15439%0.385CS..Hα-helixtrans-63.6-41.2179.365.80000112.1P671 Q672 R677 I678 Y679P671-S675 PolarHBondContact O-N 2.91Å; P671-S675 PolarHBondContact O-OG 3.47Å; Q672-S675 WeakPolarHBondContact CA-OG 3.39Å; Q672-S675 PolarHBondContact NE2-OG 3.31Å; Q672-S675 PolarHBondContact O-N 3.32Å; Q672-S675 PolarHBondContact O-OG 3.36Å; S675-R677 VanDerWaalsContact C-N 3.26Å; S675-R677 PolarHBondContact O-N 3.33Å; S675-I678 WeakPolarHBondContact O-CA 3.4Å; S675-I678 WeakPolarHBondContact O-CB 3.08Å; S675-I678 PolarHBondContact O-N 3.03Å; S675-Y679 VanDerWaalsContact O-CD2 3.32Å; S675-Y679 WeakPolarHBondContact O-CD2 3.39Å; S675-Y679 VanDerWaalsContact O-CG 3.25Å; S675-Y679 PolarHBondContact O-N 2.83Å
676N87.2Confident86.7Confident81 Ų8176.9 Ų76.943%0.43341%0.406SS..Hα-helixtrans-58.4-37.8175.6-72.1-13.5000112.2Q672 H674 Y679 R680Q672-N676 PolarHBondContact NE2-OD1 3.22Å; Q672-N676 WeakPolarHBondContact O-CB 3.44Å; Q672-N676 PolarHBondContact O-N 2.97Å; Q672-N676 PolarHBondContact O-ND2 2.83Å; Q672-N676 PolarHBondContact O-OD1 3.48Å; H674-N676 PolarHBondContact O-N 3.49Å; N676-Y679 PolarHBondContact O-N 3.24Å; N676-R680 PolarHBondContact O-N 3.23Å
677R85.7Confident86.4Confident49 Ų4979.4 Ų79.419%0.18544%0.435CS..Hα-helixtrans-67.8-39.6175.6-165.8174.6-60.6102.9-3.3111.8E658 T673 H674 S675 R680 M681E658-R677 IonicContact OE1-CZ 3.62Å; E658-R677 IonicContact OE1-NH1 3.48Å; E658-R677 PolarHBondContact OE1-NH1 2.88Å; E658-R677 IonicContact OE1-NH2 3.52Å; E658-R677 IonicContact OE2-CZ 3.63Å; E658-R677 IonicContact OE2-NH1 2.89Å; E658-R677 PolarHBondContact OE2-NH1 3.16Å; T673-R677 PolarHBondContact O-N 3.36Å; H674-R677 PolarHBondContact O-N 2.8Å; S675-R677 VanDerWaalsContact C-N 3.26Å; S675-R677 PolarHBondContact O-N 3.33Å; R677-R680 PolarHBondContact O-N 3.46Å; R677-M681 WeakPolarHBondContact O-CG 3.15Å; R677-M681 PolarHBondContact O-N 3.29Å; R677-M681 VanDerWaalsContact O-N 3.1Å
678I88.5Confident86Confident60 Ų6079.9 Ų79.931%0.30843%0.432SS..Hα-helixtrans-61.5-48.6172.9-66.1170.8000110.5L655 H674 S675 R680 M681 I682L655-I678 HydrophobicContact CD1-CG1 4.39Å; H674-I678 PolarHBondContact O-N 3.43Å; H674-I678 VanDerWaalsContact O-N 3.15Å; S675-I678 WeakPolarHBondContact O-CA 3.4Å; S675-I678 WeakPolarHBondContact O-CB 3.08Å; S675-I678 PolarHBondContact O-N 3.03Å; I678-R680 VanDerWaalsContact C-N 3.28Å; I678-R680 PolarHBondContact O-N 3.08Å; I678-M681 HydrophobicContact CB-CE 4.45Å; I678-M681 HydrophobicContact CG1-CE 4.15Å; I678-M681 PolarHBondContact O-N 3.12Å; I678-M681 VanDerWaalsContact O-N 3.08Å; I678-I682 HydrophobicContact CG2-CD1 3.68Å; I678-I682 HydrophobicContact CG2-CG1 4.25Å; I678-I682 WeakPolarHBondContact O-CG1 3.4Å; I678-I682 PolarHBondContact O-N 2.91Å
679Y87.1Confident85.1Confident132 Ų13283.1 Ų83.152%0.51845%0.449SS..Hα-helixtrans-58.5-40.2178-59.7-32000112.1S675 N676 M681 I682 K683S675-Y679 VanDerWaalsContact O-CD2 3.32Å; S675-Y679 WeakPolarHBondContact O-CD2 3.39Å; S675-Y679 VanDerWaalsContact O-CG 3.25Å; S675-Y679 PolarHBondContact O-N 2.83Å; N676-Y679 PolarHBondContact O-N 3.24Å; Y679-M681 PolarHBondContact O-N 2.81Å; Y679-I682 PolarHBondContact O-N 3.01Å; Y679-K683 WeakPolarHBondContact O-CB 3.07Å; Y679-K683 WeakPolarHBondContact O-CG 3.46Å; Y679-K683 PolarHBondContact O-N 3.15Å
680R81.3Confident83.8Confident134 Ų13480.2 Ų80.251%0.50643%0.433SS..Hα-helixtrans-62.6-41.4175-170.1178.8-175.7165.17.9112.7N676 R677 I678 K683 L684N676-R680 PolarHBondContact O-N 3.23Å; R677-R680 PolarHBondContact O-N 3.46Å; I678-R680 VanDerWaalsContact C-N 3.28Å; I678-R680 PolarHBondContact O-N 3.08Å; R680-K683 WeakPolarHBondContact O-CB 3.38Å; R680-K683 PolarHBondContact O-N 3.03Å; R680-L684 WeakPolarHBondContact O-CG 3.44Å; R680-L684 PolarHBondContact O-N 3.22Å
681M81.1Confident82Confident75 Ų7585 Ų8537%0.36945%0.453SS..Hα-helixtrans-69.4-36.5176.4-68.9-176.2-65.800112.6L655 R677 I678 Y679 L684 G685L655-M681 HydrophobicContact CD1-CE 3.45Å; L655-M681 VanDerWaalsContact CD1-CE 3.45Å; L655-M681 HydrophobicContact CD1-SD 4.47Å; L655-M681 HydrophobicContact CD2-CE 3.36Å; L655-M681 HydrophobicContact CD2-SD 3.35Å; L655-M681 WeakPolarHBondContact CD2-SD 3.44Å; L655-M681 HydrophobicContact CG-CE 3.97Å; L655-M681 HydrophobicContact CG-SD 4.42Å; R677-M681 WeakPolarHBondContact O-CG 3.15Å; R677-M681 PolarHBondContact O-N 3.29Å; R677-M681 VanDerWaalsContact O-N 3.1Å; I678-M681 HydrophobicContact CB-CE 4.45Å; I678-M681 HydrophobicContact CG1-CE 4.15Å; I678-M681 PolarHBondContact O-N 3.12Å; I678-M681 VanDerWaalsContact O-N 3.08Å; Y679-M681 PolarHBondContact O-N 2.81Å; M681-L684 PolarHBondContact O-N 3.18Å; M681-G685 PolarHBondContact O-N 3.44Å
682I84.1Confident80Confident86 Ų8686.6 Ų86.644%0.44146%0.457SS..Hα-helixtrans-63.4-46174.1-68.1170.3000109.6I678 Y679 L684 G685 L686I678-I682 HydrophobicContact CG2-CD1 3.68Å; I678-I682 HydrophobicContact CG2-CG1 4.25Å; I678-I682 WeakPolarHBondContact O-CG1 3.4Å; I678-I682 PolarHBondContact O-N 2.91Å; Y679-I682 PolarHBondContact O-N 3.01Å; I682-L684 PolarHBondContact O-N 2.87Å; I682-G685 PolarHBondContact O-N 2.75Å; I682-L686 HydrophobicContact CG2-CD1 3.68Å; I682-L686 HydrophobicContact CG2-CG 4.22Å; I682-L686 WeakPolarHBondContact O-CB 3.42Å; I682-L686 VanDerWaalsContact O-CG 3.29Å; I682-L686 WeakPolarHBondContact O-CG 3.43Å; I682-L686 PolarHBondContact O-N 3.47Å
683K83.6Confident77.9Confident65 Ų6585.8 Ų85.828%0.28346%0.456SS..Hα-helixtrans-53.7-52.3173.7-78.8178.6169.2-170.30111.4Y679 R680 G685 L686 G687 I688 D690Y679-K683 WeakPolarHBondContact O-CB 3.07Å; Y679-K683 WeakPolarHBondContact O-CG 3.46Å; Y679-K683 PolarHBondContact O-N 3.15Å; R680-K683 WeakPolarHBondContact O-CB 3.38Å; R680-K683 PolarHBondContact O-N 3.03Å; K683-G685 VanDerWaalsContact C-N 3.35Å; K683-G685 PolarHBondContact O-N 3.09Å; K683-L686 CarbonylContact O-C 3.56Å; K683-L686 PolarHBondContact O-N 3.31Å; K683-G687 PolarHBondContact O-N 3.48Å; K683-I688 HydrophobicContact CB-CB 4.11Å; K683-I688 HydrophobicContact CG-CB 4.2Å; K683-I688 HydrophobicContact CG-CG2 4.21Å; K683-I688 PolarHBondContact O-N 2.99Å; K683-D690 IonicContact NZ-OD1 2.74Å; K683-D690 PolarHBondContact NZ-OD1 2.93Å
684L80.5Confident75.6Confident118 Ų11888.3 Ų88.362%0.61847%0.473SS*.Hα-helixtrans-59.4-42.2177.1-71.6171.4000112.8R680 M681 I682 L686 G687R680-L684 WeakPolarHBondContact O-CG 3.44Å; R680-L684 PolarHBondContact O-N 3.22Å; M681-L684 PolarHBondContact O-N 3.18Å; I682-L684 PolarHBondContact O-N 2.87Å; L684-L686 VanDerWaalsContact C-N 3.31Å; L684-L686 PolarHBondContact O-N 2.97Å; L684-G687 PolarHBondContact O-N 3.28Å
685G83.6Confident73.1Confident70 Ų7093.4 Ų93.472%0.72251%0.506SS*.Hα-helixtrans-69.3-27.8178.900000113.9M681 I682 K683M681-G685 PolarHBondContact O-N 3.44Å; I682-G685 PolarHBondContact O-N 2.75Å; K683-G685 VanDerWaalsContact C-N 3.35Å; K683-G685 PolarHBondContact O-N 3.09Å
686L86.6Confident70.6Confident122 Ų122101.5 Ų101.564%0.63954%0.541SS*.Hα-helixtrans-90.7-2.6174.7-64.5178.6000113.1I682 K683 L684 I688I682-L686 HydrophobicContact CG2-CD1 3.68Å; I682-L686 HydrophobicContact CG2-CG 4.22Å; I682-L686 WeakPolarHBondContact O-CB 3.42Å; I682-L686 VanDerWaalsContact O-CG 3.29Å; I682-L686 WeakPolarHBondContact O-CG 3.43Å; I682-L686 PolarHBondContact O-N 3.47Å; K683-L686 CarbonylContact O-C 3.56Å; K683-L686 PolarHBondContact O-N 3.31Å; L684-L686 VanDerWaalsContact C-N 3.31Å; L684-L686 PolarHBondContact O-N 2.97Å; L686-I688 VanDerWaalsContact C-N 3.32Å; L686-I688 HydrophobicContact CB-CD1 3.94Å; L686-I688 HydrophobicContact CB-CG1 4Å; L686-I688 HydrophobicContact CD1-CD1 4.09Å
687G84.3Confident68.1Low62 Ų62105.1 Ų105.164%0.63956%0.555SS**THydrogen-bonded Turntrans69.625.4-177.100000114.3K683 L684K683-G687 PolarHBondContact O-N 3.48Å; L684-G687 PolarHBondContact O-N 3.28Å
688I79.4Confident66.1Low72 Ų72107.9 Ų107.937%0.36959%0.589SS.*  trans-87.1110.2175.6-56.5169.7000107.3K683 L686K683-I688 HydrophobicContact CB-CB 4.11Å; K683-I688 HydrophobicContact CG-CB 4.2Å; K683-I688 HydrophobicContact CG-CG2 4.21Å; K683-I688 PolarHBondContact O-N 2.99Å; L686-I688 VanDerWaalsContact C-N 3.32Å; L686-I688 HydrophobicContact CB-CD1 3.94Å; L686-I688 HydrophobicContact CB-CG1 4Å; L686-I688 HydrophobicContact CD1-CD1 4.09Å
689D69.6Low63.3Low101 Ų101110.1 Ų110.154%0.5461%0.606SS.*  trans-84.5150.5173.2-126.7-29.2000110E691 D692D689-E691 PolarHBondContact O-N 3.23Å; D689-D692 PolarHBondContact N-OD2 3.47Å; D689-D692 PolarHBondContact O-N 3.33Å
690D58Low60.9Low87 Ų87109 Ų10947%0.46562%0.617SS.*THydrogen-bonded Turntrans-66-6.3176.8-76.2-37.4000112.3K683K683-D690 IonicContact NZ-OD1 2.74Å; K683-D690 PolarHBondContact NZ-OD1 2.93Å
691E51.1Low58.4Low178 Ų178108.8 Ų108.883%0.83263%0.631SS**THydrogen-bonded Turntrans-83.9-14.5170-63.6-169.2168.900114D689 I693D689-E691 PolarHBondContact O-N 3.23Å; E691-I693 VanDerWaalsContact C-N 3.29Å; E691-I693 PolarHBondContact O-N 3.37Å
692D47.4Very low56Low115 Ų115110.2 Ų110.262%0.61565%0.648SS**SBendtrans-86.31.8178.8-71.6-42.7000113.3D689 P694D689-D692 PolarHBondContact N-OD2 3.47Å; D689-D692 PolarHBondContact O-N 3.33Å; D692-P694 WeakPolarHBondContact O-CD 3.24Å
693I47.7Very low53.5Low94 Ų94112.8 Ų112.848%0.48267%0.667SS.*SBendtrans-78.1118.6168.9-53.3175.2000106.1E691 T695E691-I693 VanDerWaalsContact C-N 3.29Å; E691-I693 PolarHBondContact O-N 3.37Å; I693-T695 PolarHBondContact O-N 3.28Å
694P39.9Very low51.2Low112 Ų112115.3 Ų115.373%0.72769%0.69SS**  trans-57.9110.8167.5-11.525000106.2D692 E696D692-P694 WeakPolarHBondContact O-CD 3.24Å; P694-E696 VanDerWaalsContact C-N 3.28Å; P694-E696 PolarHBondContact O-N 3.19Å
695T39.2Very low49.2Very low127 Ų127118.5 Ų118.578%0.77970%0.702SS**  trans-58.5102.4162.743.80000105.3I693 E697I693-T695 PolarHBondContact O-N 3.28Å; T695-E697 PolarHBondContact O-N 3.15Å
696E37.6Very low46.8Very low191 Ų191124.5 Ų124.589%0.89371%0.711SS**  trans-54.1111.9165.8-87.1-174157.800106.5P694 A698P694-E696 VanDerWaalsContact C-N 3.28Å; P694-E696 PolarHBondContact O-N 3.19Å; E696-A698 PolarHBondContact O-N 3.15Å
697E35.2Very low44.5Very low157 Ų157127.4 Ų127.473%0.73472%0.724SS**  trans-49.7127.7173.2-69.1-179.1143.600108.5T695 T699T695-E697 PolarHBondContact O-N 3.15Å; E697-T699 HydrophobicContact CB-CG2 4.25Å; E697-T699 PolarHBondContact O-N 3.05Å
698A42.4Very low42.2Very low108 Ų108130 Ų13089%0.89373%0.73SS**  trans-57.889.7157.300000108.4E696E696-A698 PolarHBondContact O-N 3.15Å
699T30.3Very low40.2Very low107 Ų107132.4 Ų132.466%0.65675%0.75SS**  trans-10996.816542.30000108.1E697 T701E697-T699 HydrophobicContact CB-CG2 4.25Å; E697-T699 PolarHBondContact O-N 3.05Å; T699-T701 PolarHBondContact O-N 3.08Å
700S36.9Very low38.7Very low108 Ų108136 Ų13676%0.75577%0.768SS**  trans-48.5119.9154.551.20000110.2
701T27.7Very low37.6Very low129 Ų129140.8 Ų140.879%0.79179%0.788SS**  trans-171.9122.1137.821.90000112.9T699T699-T701 PolarHBondContact O-N 3.08Å
702S31.1Very low36.7Very low106 Ų106135.6 Ų135.674%0.74178%0.782SS**  trans57101.9144.561.70000120.8
703V32.8Very low35.9Very low139 Ų139137.3 Ų137.384%0.84279%0.791SS**PPolyproline II helixtrans-68.7128.1148-176.60000108.1
704P35.1Very low35.3Very low118 Ų118140 Ų14077%0.76681%0.806SS**PPolyproline II helixtrans-76.4124.9168-6.823.8000109.8
705E37.6Very low35Very low185 Ų185142.6 Ų142.686%0.86481%0.814SS**PPolyproline II helixtrans-58.7126.9158-73.1175.1138.600109.6
706E34.2Very low34.9Very low196 Ų196140.2 Ų140.292%0.91681%0.807SS**  trans-179.692.6135.8-101.5178.8-175.400109.3
707M37.9Very low34.9Very low184 Ų184136.4 Ų136.491%0.90680%0.802SS**  trans-111.1132.6151.3-85.4-168.4-64.800107.4
708P36Very low34.8Very low117 Ų117139.9 Ų139.976%0.7681%0.809SS**  trans-73.1152.7-179.530.5-33000111.1
709P37.7Very low34.9Very low122 Ų122143.3 Ų143.379%0.79281%0.808SS**  trans-78.2135.2-169.131-32.5000111.9
710L36.5Very low35.1Very low175 Ų175146.9 Ų146.992%0.91682%0.817SS**  trans-101102.3158.9-87.1158.7000107.8
711E35Very low35.3Very low188 Ų188150 Ų15088%0.87982%0.82SS**  trans-52.7142.7149.3-58174.5157.500107.8
712G32.8Very low35.9Very low69 Ų69149.8 Ų149.871%0.71182%0.818SS**  cis171165.66.400000107.3
713D31.3Very low36.4Very low152 Ų152155.6 Ų155.681%0.81384%0.841SS**  trans73.9103.3164.8-71-2.5000121.2
714D34.3Very low36.6Very low149 Ų149156.5 Ų156.580%0.79784%0.841SS**  35.2114.6109.5-67.6-16.3000117.5
715D34.4Very low36.7Very low167 Ų167158.5 Ų158.589%0.89385%0.845SS**  -166.8152.9101.4-136.5-23.3000112.8
716A35.6Very low36.6Very low77 Ų77157 Ų15764%0.63684%0.844SS**  trans-78.7163.3-174.200000114.4
717S38.5Very low36.7Very low112 Ų112154.7 Ų154.778%0.78384%0.84SS**  trans78.7125.5151.482.40000118.1
718R33.4Very low36.7Very low230 Ų230152.9 Ų152.987%0.86884%0.836SS**  148.3133.699.8-155.9170.6179.4170.9-3.1110.8
719M43.3Very low36.7Very low179 Ų179155.3 Ų155.388%0.88284%0.841SS**  trans-49.3143.1162.4-70.3169.3177.300111.2
720E35Very low36.6Very low182 Ų182157.6 Ų157.685%0.8584%0.844SS**  trans-163.1141.7131-119.4168.8-170.300111.5
721E40.3Very low36.7Very low174 Ų174156.3 Ų156.381%0.81384%0.839SS**  trans-48.4157.1155.2-64.6166.3143.800109.5
722V41.9Very low36.8Very low124 Ų124153.7 Ų153.775%0.75284%0.835SS**  -178159.269.4-131.80000104.2
723D40.6Very low37.2Very low229 Ų229161.4 Ų161.4100%1.22585%0.847SS**  cis-149.2037.3-93.2-40.8000111.4

Retrieved 723 of 723 residues in 425.7 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).