A0A087YLZ8_POEFO Loading...

Radial spoke head component 1

AlphaFold DB , UniProt , Accession A0A087YLZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 228 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.7Very low45.9Very low244 Ų244152.2 Ų152.2100%1.20280%0.798SS**  098.80-65-64.7-165.200105
2S41.7Very low46.5Very low117 Ų117146.6 Ų146.682%0.81877%0.77SS**  trans-92.2113.3-175.5-44.90000107.3
3D42.9Very low46.9Very low169 Ų169144.6 Ų144.690%0.90475%0.753SS**  trans-96.493.6166.8-115.7-23.4000106.4S5D3-S5 PolarHBondContact O-N 2.87Å
4E46.7Very low47.6Very low178 Ų178144 Ų14483%0.83275%0.752SS**  trans-81.6102.3164-75.5-175.213600106.8S6E4-S6 VanDerWaalsContact C-N 3.3Å; E4-S6 PolarHBondContact O-N 2.99Å
5S46.1Very low49.4Very low108 Ų108143.7 Ų143.776%0.75574%0.742SS**  trans-61.995.1164.2171.90000107.7D3 E7D3-S5 PolarHBondContact O-N 2.87Å; S5-E7 PolarHBondContact O-N 3.32Å
6S53.5Low51.2Low102 Ų102140.3 Ų140.371%0.71372%0.724SS**  trans-58.8100168.3500000108.6E4 E8E4-S6 VanDerWaalsContact C-N 3.3Å; E4-S6 PolarHBondContact O-N 2.99Å; S6-E8 PolarHBondContact O-N 2.96Å
7E50.7Low53.5Low149 Ų149133.2 Ų133.270%0.69669%0.694SS**  trans-57.7108.9167.4-68-179.1167.100107.7S5 F9S5-E7 PolarHBondContact O-N 3.32Å; E7-F9 VanDerWaalsContact C-N 3.25Å; E7-F9 HydrophobicContact CB-CD2 4.39Å; E7-F9 HydrophobicContact CB-CE2 4.27Å; E7-F9 PolarHBondContact O-N 2.95Å
8E46.6Very low55.8Low164 Ų164133.9 Ų133.977%0.76669%0.693SS**  trans-64.190169.5-71.6178.7161.500107.9S6 E10S6-E8 PolarHBondContact O-N 2.96Å; E8-E10 HydrophobicContact CB-CG 4.3Å; E8-E10 PolarHBondContact O-N 2.79Å
9F44.5Very low57.9Low184 Ų184128.5 Ų128.581%0.80766%0.663SS**  trans-66.173.9155-78.7-92.4000107.2E7 D11E7-F9 VanDerWaalsContact C-N 3.25Å; E7-F9 HydrophobicContact CB-CD2 4.39Å; E7-F9 HydrophobicContact CB-CE2 4.27Å; E7-F9 PolarHBondContact O-N 2.95Å; F9-D11 PolarHBondContact O-N 2.79Å
10E45.9Very low59.9Low146 Ų146128.5 Ų128.568%0.68266%0.664SS**  trans-56.4122.7167-72.9-167.615200107.8E8 D12E8-E10 HydrophobicContact CB-CG 4.3Å; E8-E10 PolarHBondContact O-N 2.79Å; E10-D12 VanDerWaalsContact C-N 3.32Å; E10-D12 PolarHBondContact O-N 2.91Å
11D47.1Very low61.6Low113 Ų113124 Ų12460%0.60465%0.649SS**  trans-58.184.5-172.4-162.19.1000111.7F9 H13 N14F9-D11 PolarHBondContact O-N 2.79Å; D11-H13 PolarHBondContact O-N 3.21Å; D11-H13 WeakPolarHBondContact OD1-CB 3.4Å; D11-H13 IonicContact OD1-CD2 3.32Å; D11-H13 PolarHBondContact OD1-CD2 2.84Å; D11-H13 IonicContact OD1-CG 3.2Å; D11-N14 PolarHBondContact O-N 2.87Å
12D52.5Low64.3Low85 Ų85114.1 Ų114.146%0.45561%0.61SS.*THydrogen-bonded Turntrans-61.9-12.8-179.3-154.448.2000111.9E10 N14 K15E10-D12 VanDerWaalsContact C-N 3.32Å; E10-D12 PolarHBondContact O-N 2.91Å; D12-N14 PolarHBondContact O-N 2.93Å; D12-K15 PolarHBondContact O-N 2.96Å; D12-K15 VanDerWaalsContact O-N 3.13Å; D12-K15 WeakPolarHBondContact OD1-CD 3.38Å; D12-K15 IonicContact OD1-NZ 3.69Å; D12-K15 PolarHBondContact OD1-NZ 2.96Å
13H51.8Low66.9Low121 Ų121114.4 Ų114.456%0.5659%0.594SS**Hα-helixtrans-56.8-31.6169.9-72.2-46.5000113.1D11 K15D11-H13 PolarHBondContact O-N 3.21Å; D11-H13 WeakPolarHBondContact OD1-CB 3.4Å; D11-H13 IonicContact OD1-CD2 3.32Å; D11-H13 PolarHBondContact OD1-CD2 2.84Å; D11-H13 IonicContact OD1-CG 3.2Å; H13-K15 VanDerWaalsContact C-N 3.32Å; H13-K15 PolarHBondContact O-N 2.91Å
14N57.2Low69.5Low136 Ų136108.1 Ų108.173%0.72756%0.56SS**Hα-helixtrans-76.7-19.3-180-154.313.1000113D11 D12D11-N14 PolarHBondContact O-N 2.87Å; D12-N14 PolarHBondContact O-N 2.93Å
15K74.1Confident71.9Confident140 Ų140109.5 Ų109.561%0.60957%0.566SS**Hα-helixtrans-77.5-24.7178-66.8-165.6-161.1125.40113.6D12 H13 P38D12-K15 PolarHBondContact O-N 2.96Å; D12-K15 VanDerWaalsContact O-N 3.13Å; D12-K15 WeakPolarHBondContact OD1-CD 3.38Å; D12-K15 IonicContact OD1-NZ 3.69Å; D12-K15 PolarHBondContact OD1-NZ 2.96Å; H13-K15 VanDerWaalsContact C-N 3.32Å; H13-K15 PolarHBondContact O-N 2.91Å; K15-P38 WeakPolarHBondContact O-CG 3.46Å
16L79.1Confident74.2Confident88 Ų88110.7 Ų110.746%0.46156%0.563SS.*Hα-helixtrans-99.5-12.3-174.4-64.2174.1000113.2R29L16-R29 VanDerWaalsContact C-NH2 3.29Å; L16-R29 PolarHBondContact O-NH1 3.19Å; L16-R29 PolarHBondContact O-NH2 2.83Å
17G89.2Confident76.1Confident20 Ų20107.3 Ų107.321%0.20654%0.544CS..  trans77-179.7-176.600000113.7R29 L36G17-R29 PolarHBondContact O-NH2 2.86Å; G17-R29 VanDerWaalsContact O-NH2 3.08Å; G17-L36 CarbonylContact C-O 3.47Å; G17-L36 VanDerWaalsContact CA-O 3.25Å; G17-L36 WeakPolarHBondContact CA-O 3.25Å
18E94.8Very high78.3Confident146 Ų146103.7 Ų103.768%0.68253%0.527SS*.EExtended strand (participates in β ladder)trans-68.2142.7-178.1-59.5178.3-177.300110.9A35 L36E18-A35 CarbonylContact O-C 3.51Å; E18-A35 WeakPolarHBondContact O-CA 3.47Å; E18-L36 HydrophobicContact CB-CB 4.28Å; E18-L36 PolarHBondContact N-O 3.08Å; E18-L36 PolarHBondContact O-N 3.42Å
19Y95.8Very high80.7Confident32 Ų3296.8 Ų96.813%0.12549%0.494CS..EExtended strand (participates in β ladder)trans-141.8127.2179.4175-102.8000111.2G21 G22 R23 R29 K34 A35 Y47Y19-G21 VanDerWaalsContact CE1-C 3.49Å; Y19-G21 WeakPolarHBondContact CE1-O 3.24Å; Y19-G22 VanDerWaalsContact CE1-O 3.25Å; Y19-G22 WeakPolarHBondContact CE1-O 3.32Å; Y19-G22 PolarHBondContact OH-O 2.77Å; Y19-R23 HydrophobicContact CE1-CG 4.35Å; Y19-R29 HydrophobicContact CD1-CG 3.82Å; Y19-R29 HydrophobicContact CD2-CG 3.95Å; Y19-R29 HydrophobicContact CE1-CB 4.04Å; Y19-R29 HydrophobicContact CE1-CG 3.83Å; Y19-R29 HydrophobicContact CE2-CB 4.06Å; Y19-R29 HydrophobicContact CE2-CG 3.97Å; Y19-R29 HydrophobicContact CG-CG 3.86Å; Y19-K34 WeakPolarHBondContact CA-O 3.22Å; Y19-A35 HydrophobicContact CD2-CB 4.11Å; Y19-Y47 HydrophobicContact CD2-CE2 4.27Å; Y19-Y47 AromaticContact CE2-CD2 3.79Å; Y19-Y47 HydrophobicContact CE2-CD2 3.79Å; Y19-Y47 AromaticContact CE2-CE2 3.59Å; Y19-Y47 HydrophobicContact CE2-CE2 3.59Å
20D97.6Very high83.2Confident127 Ų12791.4 Ų91.468%0.67947%0.471SS*.EExtended strand (participates in β ladder)trans-115.1106.4173.5178.919.4000108.8G33 K34D20-G33 CarbonylContact O-C 3.45Å; D20-G33 VanDerWaalsContact O-CA 3.24Å; D20-G33 WeakPolarHBondContact O-CA 3.36Å; D20-K34 PolarHBondContact N-O 2.74Å; D20-K34 PolarHBondContact O-N 2.76Å
21G96.6Very high85.7Confident34 Ų3485.5 Ų85.535%0.35145%0.45SS..EExtended strand (participates in β ladder)trans165.8-178.2-177.600000113.6Y19Y19-G21 VanDerWaalsContact CE1-C 3.49Å; Y19-G21 WeakPolarHBondContact CE1-O 3.24Å
22G95.4Very high88.1Confident37 Ų3785.9 Ų85.938%0.38145%0.446SS..EExtended strand (participates in β ladder)trans-66.2155178.900000113.2Y19 H30Y19-G22 VanDerWaalsContact CE1-O 3.25Å; Y19-G22 WeakPolarHBondContact CE1-O 3.32Å; Y19-G22 PolarHBondContact OH-O 2.77Å; G22-H30 CarbonylContact C-O 3.48Å; G22-H30 VanDerWaalsContact CA-O 3.26Å; G22-H30 WeakPolarHBondContact CA-O 3.26Å; G22-H30 PolarHBondContact O-N 3.26Å
23R97.2Very high90.3Very high124 Ų12482 Ų8247%0.46843%0.426SS..EExtended strand (participates in β ladder)trans-130.9151.2172.4-66.7178.3-179.3-102.14.9110.6Y19 G27 E28Y19-R23 HydrophobicContact CE1-CG 4.35Å; R23-G27 WeakPolarHBondContact CD-O 3.45Å; R23-G27 PolarHBondContact NH1-O 3.01Å; R23-E28 CarbonylContact C-O 3.56Å; R23-E28 WeakPolarHBondContact CA-O 3.42Å; R23-E28 VanDerWaalsContact CB-O 3.32Å; R23-E28 WeakPolarHBondContact CB-O 3.25Å
24N96.7Very high92.5Very high36 Ų3681.1 Ų81.119%0.19342%0.421CS..  trans-81.8-179.2173.268.47.5000111.5I26 G27 E28 H30N24-I26 PolarHBondContact O-N 2.95Å; N24-I26 VanDerWaalsContact OD1-CG1 3.28Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.44Å; N24-I26 PolarHBondContact OD1-N 3.06Å; N24-G27 PolarHBondContact O-N 3.4Å; N24-G27 PolarHBondContact OD1-N 3.47Å; N24-E28 PolarHBondContact N-O 3.26Å; N24-E28 PolarHBondContact ND2-OE2 2.85Å; N24-E28 WeakPolarHBondContact OD1-CB 3.32Å; N24-E28 PolarHBondContact OD1-N 3.13Å; N24-E28 PolarHBondContact OD1-O 3.05Å; N24-H30 HydrophobicContact CB-CB 4Å
25E97.1Very high94.4Very high208 Ų20874.7 Ų74.797%0.97239%0.386SS*.THydrogen-bonded Turntrans-59.7-29.5-175.1-62.4-178.6174.800114G27E25-G27 VanDerWaalsContact C-N 3.35Å
26I95.1Very high95.5Very high132 Ų13271.5 Ų71.568%0.67738%0.375SS*.THydrogen-bonded Turntrans-94.28.517858.9167.8000112.8N24 E28N24-I26 PolarHBondContact O-N 2.95Å; N24-I26 VanDerWaalsContact OD1-CG1 3.28Å; N24-I26 WeakPolarHBondContact OD1-CG1 3.44Å; N24-I26 PolarHBondContact OD1-N 3.06Å; I26-E28 VanDerWaalsContact CD1-CD 3.49Å; I26-E28 HydrophobicContact CD1-CG 3.98Å; I26-E28 HydrophobicContact CG1-CG 3.99Å
27G93.9Very high96.3Very high32 Ų3268.8 Ų68.833%0.3336%0.362SS..SBendtrans84.77.4173.100000115.6R23 N24 E25R23-G27 WeakPolarHBondContact CD-O 3.45Å; R23-G27 PolarHBondContact NH1-O 3.01Å; N24-G27 PolarHBondContact O-N 3.4Å; N24-G27 PolarHBondContact OD1-N 3.47Å; E25-G27 VanDerWaalsContact C-N 3.35Å
28E95.6Very high96.5Very high73 Ų7372.1 Ų72.134%0.34138%0.38SS..  trans-76.7155.1175.7-58.5172.8142.300111.7R23 N24 I26 H30 N49R23-E28 CarbonylContact C-O 3.56Å; R23-E28 WeakPolarHBondContact CA-O 3.42Å; R23-E28 VanDerWaalsContact CB-O 3.32Å; R23-E28 WeakPolarHBondContact CB-O 3.25Å; N24-E28 PolarHBondContact N-O 3.26Å; N24-E28 PolarHBondContact ND2-OE2 2.85Å; N24-E28 WeakPolarHBondContact OD1-CB 3.32Å; N24-E28 PolarHBondContact OD1-N 3.13Å; N24-E28 PolarHBondContact OD1-O 3.05Å; I26-E28 VanDerWaalsContact CD1-CD 3.49Å; I26-E28 HydrophobicContact CD1-CG 3.98Å; I26-E28 HydrophobicContact CG1-CG 3.99Å; E28-H30 PolarHBondContact O-N 3.05Å; E28-N49 WeakPolarHBondContact OE2-CA 3.28Å
29R96.8Very high96.4Very high19 Ų1969.1 Ų69.17%0.07237%0.368CS..EExtended strand (participates in β ladder)trans-58.9129.3175-58.4176.9177169.3-7110.1L16 G17 Y19 Y47 G50L16-R29 VanDerWaalsContact C-NH2 3.29Å; L16-R29 PolarHBondContact O-NH1 3.19Å; L16-R29 PolarHBondContact O-NH2 2.83Å; G17-R29 PolarHBondContact O-NH2 2.86Å; G17-R29 VanDerWaalsContact O-NH2 3.08Å; Y19-R29 HydrophobicContact CD1-CG 3.82Å; Y19-R29 HydrophobicContact CD2-CG 3.95Å; Y19-R29 HydrophobicContact CE1-CB 4.04Å; Y19-R29 HydrophobicContact CE1-CG 3.83Å; Y19-R29 HydrophobicContact CE2-CB 4.06Å; Y19-R29 HydrophobicContact CE2-CG 3.97Å; Y19-R29 HydrophobicContact CG-CG 3.86Å; R29-Y47 HydrophobicContact CB-CD1 3.67Å; R29-Y47 HydrophobicContact CB-CD2 4.47Å; R29-Y47 HydrophobicContact CB-CE1 4.2Å; R29-Y47 HydrophobicContact CB-CG 3.83Å; R29-G50 WeakPolarHBondContact O-CA 3.06Å; R29-G50 PolarHBondContact O-N 2.77Å
30H98.1Very high96.4Very high70 Ų7069 Ų6932%0.32438%0.377SS..EExtended strand (participates in β ladder)trans-152145-177.3-157.998.1000112.1G22 N24 E28 Y47 N49G22-H30 CarbonylContact C-O 3.48Å; G22-H30 VanDerWaalsContact CA-O 3.26Å; G22-H30 WeakPolarHBondContact CA-O 3.26Å; G22-H30 PolarHBondContact O-N 3.26Å; N24-H30 HydrophobicContact CB-CB 4Å; E28-H30 PolarHBondContact O-N 3.05Å; H30-Y47 CarbonylContact C-O 3.53Å; H30-N49 PolarHBondContact ND1-N 2.95Å
31G97.9Very high96.4Very high22 Ų2263.6 Ų63.623%0.22735%0.348CS..EExtended strand (participates in β ladder)trans73.9-157.5-175.200000112.1M46 Y47G31-M46 CarbonylContact O-C 3.37Å; G31-Y47 PolarHBondContact N-O 2.94Å; G31-Y47 PolarHBondContact O-N 3.34Å
32F98.3Very high96.5Very high122 Ų12264.6 Ų64.654%0.53535%0.345SS..EExtended strand (participates in β ladder)trans-77.6136178.7-172.7-93.2000111.1Q44 G45 M46F32-Q44 HydrophobicContact CE1-CG 4.24Å; F32-Q44 HydrophobicContact CE2-CG 4.44Å; F32-Q44 HydrophobicContact CZ-CG 3.7Å; F32-G45 WeakPolarHBondContact CA-O 3.11Å; F32-M46 HydrophobicContact CB-SD 3.88Å; F32-M46 HydrophobicContact CD2-SD 4.26Å
33G97.9Very high96.7Very high3 Ų362.9 Ų62.93%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-162.2174175.500000113.6D20 Q44 G45D20-G33 CarbonylContact O-C 3.45Å; D20-G33 VanDerWaalsContact O-CA 3.24Å; D20-G33 WeakPolarHBondContact O-CA 3.36Å; G33-Q44 WeakPolarHBondContact O-CA 3.5Å; G33-G45 PolarHBondContact N-O 3.41Å; G33-G45 PolarHBondContact O-N 2.77Å
34K98.4Very high96.7Very high103 Ų10361 Ų6145%0.44832%0.323SS..EExtended strand (participates in β ladder)trans-124.4123.9176.9-175.7-178.8176.3-171.40109.5Y19 D20 I42 Y43 Q44Y19-K34 WeakPolarHBondContact CA-O 3.22Å; D20-K34 PolarHBondContact N-O 2.74Å; D20-K34 PolarHBondContact O-N 2.76Å; K34-I42 HydrophobicContact CG-CG2 4.26Å; K34-Y43 CarbonylContact C-O 3.09Å; K34-Y43 VanDerWaalsContact CA-O 3.32Å; K34-Y43 WeakPolarHBondContact CA-O 3.49Å; K34-Q44 HydrophobicContact CB-CG 4.34Å; K34-Q44 HydrophobicContact CG-CB 4.33Å
35A97.4Very high96.8Very high0 Ų059.3 Ų59.30%032%0.315CS..EExtended strand (participates in β ladder)trans-112.1132.8175.400000111.1E18 Y19 L37 I42 Y43 Y47E18-A35 CarbonylContact O-C 3.51Å; E18-A35 WeakPolarHBondContact O-CA 3.47Å; Y19-A35 HydrophobicContact CD2-CB 4.11Å; A35-L37 HydrophobicContact CB-CD2 4.35Å; A35-I42 WeakPolarHBondContact O-CA 3.2Å; A35-Y43 PolarHBondContact N-O 2.94Å; A35-Y43 PolarHBondContact O-N 3.13Å; A35-Y47 VanDerWaalsContact CB-OH 3.26Å; A35-Y47 WeakPolarHBondContact CB-OH 3.39Å
36L97.4Very high96.9Very high73 Ų7353.4 Ų53.438%0.38229%0.288SS..EExtended strand (participates in β ladder)trans-97.4109.5161.317565.7000107.4G17 E18 I42G17-L36 CarbonylContact C-O 3.47Å; G17-L36 VanDerWaalsContact CA-O 3.25Å; G17-L36 WeakPolarHBondContact CA-O 3.25Å; E18-L36 HydrophobicContact CB-CB 4.28Å; E18-L36 PolarHBondContact N-O 3.08Å; E18-L36 PolarHBondContact O-N 3.42Å; L36-I42 HydrophobicContact CD1-CG1 3.9Å
37L94.9Very high97Very high32 Ų3247.6 Ų47.617%0.16826%0.258CS..  trans-79.1155-175.6-62.3173000110.7A35 N39 G40 D41 Y58A35-L37 HydrophobicContact CB-CD2 4.35Å; L37-N39 VanDerWaalsContact CB-OD1 3.26Å; L37-N39 WeakPolarHBondContact CB-OD1 3.44Å; L37-N39 PolarHBondContact O-N 2.83Å; L37-G40 WeakPolarHBondContact O-CA 3.21Å; L37-G40 PolarHBondContact O-N 3.46Å; L37-D41 HydrophobicContact CB-CB 4.32Å; L37-D41 WeakPolarHBondContact CB-O 3.28Å; L37-D41 HydrophobicContact CD1-CB 3.98Å; L37-D41 PolarHBondContact N-O 2.87Å; L37-Y58 HydrophobicContact CD1-CE2 3.51Å; L37-Y58 WeakPolarHBondContact CD1-OH 3.33Å
38P94.1Very high97.2Very high90 Ų9050.2 Ų50.258%0.58426%0.261SS*.THydrogen-bonded Turntrans-59.2-24.8-177.7-25.634.5000114.5K15 G40K15-P38 WeakPolarHBondContact O-CG 3.46Å; P38-G40 PolarHBondContact O-N 2.83Å
39N93Very high97.3Very high82 Ų8250.6 Ų50.644%0.43927%0.266SS..THydrogen-bonded Turntrans-78.3-3.4175.867.2-6.1000113.6L37 D41 R61L37-N39 VanDerWaalsContact CB-OD1 3.26Å; L37-N39 WeakPolarHBondContact CB-OD1 3.44Å; L37-N39 PolarHBondContact O-N 2.83Å; N39-D41 VanDerWaalsContact ND2-CG 3.31Å; N39-D41 PolarHBondContact ND2-OD2 3.37Å; N39-D41 WeakPolarHBondContact OD1-CB 3.49Å; N39-D41 VanDerWaalsContact OD1-CG 3.31Å; N39-D41 PolarHBondContact OD1-N 2.84Å; N39-R61 WeakPolarHBondContact O-CD 3.5Å
40G95.4Very high97.3Very high31 Ų3151 Ų5132%0.3228%0.276SS..SBendtrans864-176.300000114.4L37 P38L37-G40 WeakPolarHBondContact O-CA 3.21Å; L37-G40 PolarHBondContact O-N 3.46Å; P38-G40 PolarHBondContact O-N 2.83Å
41D98Very high97.2Very high13 Ų1350.9 Ų50.97%0.0728%0.276CS..  trans-73155.1171.3-65.9-16.5000110.6L37 N39 Y58 R59 F60 R61L37-D41 HydrophobicContact CB-CB 4.32Å; L37-D41 WeakPolarHBondContact CB-O 3.28Å; L37-D41 HydrophobicContact CD1-CB 3.98Å; L37-D41 PolarHBondContact N-O 2.87Å; N39-D41 VanDerWaalsContact ND2-CG 3.31Å; N39-D41 PolarHBondContact ND2-OD2 3.37Å; N39-D41 WeakPolarHBondContact OD1-CB 3.49Å; N39-D41 VanDerWaalsContact OD1-CG 3.31Å; N39-D41 PolarHBondContact OD1-N 2.84Å; D41-Y58 HydrophobicContact CB-CE1 3.64Å; D41-Y58 VanDerWaalsContact CB-OH 3.31Å; D41-Y58 WeakPolarHBondContact CB-OH 3.49Å; D41-Y58 VanDerWaalsContact OD2-CE1 3.26Å; D41-Y58 WeakPolarHBondContact OD2-CE1 3.33Å; D41-Y58 PolarHBondContact OD2-OH 2.91Å; D41-R59 WeakPolarHBondContact CA-O 3.47Å; D41-F60 VanDerWaalsContact OD1-CA 3.32Å; D41-F60 WeakPolarHBondContact OD1-CA 3.36Å; D41-R61 PolarHBondContact OD1-N 2.88Å
42I98.4Very high97.2Very high55 Ų5552.2 Ų52.228%0.28227%0.274SS..EExtended strand (participates in β ladder)trans-122.3125.2178.6-59.4170.6000108.7K34 A35 L36 Y58 R59K34-I42 HydrophobicContact CG-CG2 4.26Å; A35-I42 WeakPolarHBondContact O-CA 3.2Å; L36-I42 HydrophobicContact CD1-CG1 3.9Å; I42-Y58 CarbonylContact O-C 3.51Å; I42-Y58 WeakPolarHBondContact O-CA 3.2Å; I42-R59 HydrophobicContact CB-CB 4.4Å; I42-R59 PolarHBondContact N-O 3.49Å; I42-R59 PolarHBondContact O-N 2.99Å
43Y98.4Very high97.2Very high0 Ų049.3 Ų49.30%026%0.262CS..EExtended strand (participates in β ladder)trans-108.2138.3165.7178.5-97000110K34 A35 M46 Y47 R52 T57 Y58 Y70K34-Y43 CarbonylContact C-O 3.09Å; K34-Y43 VanDerWaalsContact CA-O 3.32Å; K34-Y43 WeakPolarHBondContact CA-O 3.49Å; A35-Y43 PolarHBondContact N-O 2.94Å; A35-Y43 PolarHBondContact O-N 3.13Å; Y43-M46 PolarHBondContact OH-N 2.85Å; Y43-M46 PolarHBondContact OH-O 3.38Å; Y43-Y47 HydrophobicContact CD1-CD2 4.39Å; Y43-Y47 HydrophobicContact CD1-CE1 4.43Å; Y43-Y47 AromaticContact CD1-CE2 3.38Å; Y43-Y47 HydrophobicContact CD1-CE2 3.38Å; Y43-Y47 AromaticContact CD1-CZ 3.4Å; Y43-Y47 WeakPolarHBondContact CD1-OH 3.45Å; Y43-Y47 AromaticContact CE1-CD2 3.96Å; Y43-Y47 HydrophobicContact CE1-CD2 3.96Å; Y43-Y47 HydrophobicContact CE1-CE1 4.43Å; Y43-Y47 AromaticContact CE1-CE2 3.37Å; Y43-Y47 HydrophobicContact CE1-CE2 3.37Å; Y43-Y47 AromaticContact CE1-CZ 3.65Å; Y43-R52 HydrophobicContact CD1-CG 3.95Å; Y43-R52 HydrophobicContact CD2-CG 4.14Å; Y43-R52 HydrophobicContact CE1-CB 4.22Å; Y43-R52 HydrophobicContact CE1-CG 3.69Å; Y43-R52 HydrophobicContact CE2-CB 4.17Å; Y43-R52 HydrophobicContact CE2-CG 3.89Å; Y43-R52 HydrophobicContact CG-CG 4.13Å; Y43-T57 WeakPolarHBondContact CA-O 3.31Å; Y43-Y58 AromaticContact CD2-CD2 3.84Å; Y43-Y58 HydrophobicContact CD2-CD2 3.84Å; Y43-Y58 HydrophobicContact CD2-CG 4.49Å; Y43-Y58 HydrophobicContact CG-CD2 4.32Å; Y43-Y70 AromaticContact CE2-CD2 3.96Å; Y43-Y70 HydrophobicContact CE2-CD2 3.96Å; Y43-Y70 AromaticContact CE2-CE2 3.66Å; Y43-Y70 HydrophobicContact CE2-CE2 3.66Å
44Q98.6Very high97.2Very high85 Ų8550.3 Ų50.340%0.39727%0.272SS..EExtended strand (participates in β ladder)trans-137.4116.6171.7-176.8178.23.600108.5F32 G33 K34 G56 T57F32-Q44 HydrophobicContact CE1-CG 4.24Å; F32-Q44 HydrophobicContact CE2-CG 4.44Å; F32-Q44 HydrophobicContact CZ-CG 3.7Å; G33-Q44 WeakPolarHBondContact O-CA 3.5Å; K34-Q44 HydrophobicContact CB-CG 4.34Å; K34-Q44 HydrophobicContact CG-CB 4.33Å; Q44-G56 CarbonylContact O-C 3.39Å; Q44-G56 WeakPolarHBondContact O-CA 3.3Å; Q44-T57 PolarHBondContact N-O 3.05Å; Q44-T57 PolarHBondContact O-N 2.89Å
45G98.4Very high97.3Very high1 Ų149 Ų491%0.0128%0.275CS..EExtended strand (participates in β ladder)trans167.1-164.8-17400000112.8F32 G33F32-G45 WeakPolarHBondContact CA-O 3.11Å; G33-G45 PolarHBondContact N-O 3.41Å; G33-G45 PolarHBondContact O-N 2.77Å
46M98.6Very high97.3Very high84 Ų8449.3 Ų49.341%0.41428%0.279SS..EExtended strand (participates in β ladder)trans-80.8139.6-177-67.3-66-74.700111.5G31 F32 Y43 H53 S55G31-M46 CarbonylContact O-C 3.37Å; F32-M46 HydrophobicContact CB-SD 3.88Å; F32-M46 HydrophobicContact CD2-SD 4.26Å; Y43-M46 PolarHBondContact OH-N 2.85Å; Y43-M46 PolarHBondContact OH-O 3.38Å; M46-H53 CarbonylContact C-O 3.51Å; M46-H53 WeakPolarHBondContact CA-O 3.26Å; M46-H53 WeakPolarHBondContact CB-O 3.32Å; M46-H53 PolarHBondContact O-N 2.84Å; M46-S55 PolarHBondContact N-O 3.24Å; M46-S55 VanDerWaalsContact N-O 3.13Å
47Y98.4Very high97.4Very high10 Ų1047.4 Ų47.44%0.03927%0.27CS..EExtended strand (participates in β ladder)trans-121.8143.4174-77.4-91.9000110.2Y19 R29 H30 G31 A35 Y43 Q51 R52Y19-Y47 HydrophobicContact CD2-CE2 4.27Å; Y19-Y47 AromaticContact CE2-CD2 3.79Å; Y19-Y47 HydrophobicContact CE2-CD2 3.79Å; Y19-Y47 AromaticContact CE2-CE2 3.59Å; Y19-Y47 HydrophobicContact CE2-CE2 3.59Å; R29-Y47 HydrophobicContact CB-CD1 3.67Å; R29-Y47 HydrophobicContact CB-CD2 4.47Å; R29-Y47 HydrophobicContact CB-CE1 4.2Å; R29-Y47 HydrophobicContact CB-CG 3.83Å; H30-Y47 CarbonylContact C-O 3.53Å; G31-Y47 PolarHBondContact N-O 2.94Å; G31-Y47 PolarHBondContact O-N 3.34Å; A35-Y47 VanDerWaalsContact CB-OH 3.26Å; A35-Y47 WeakPolarHBondContact CB-OH 3.39Å; Y43-Y47 HydrophobicContact CD1-CD2 4.39Å; Y43-Y47 HydrophobicContact CD1-CE1 4.43Å; Y43-Y47 AromaticContact CD1-CE2 3.38Å; Y43-Y47 HydrophobicContact CD1-CE2 3.38Å; Y43-Y47 AromaticContact CD1-CZ 3.4Å; Y43-Y47 WeakPolarHBondContact CD1-OH 3.45Å; Y43-Y47 AromaticContact CE1-CD2 3.96Å; Y43-Y47 HydrophobicContact CE1-CD2 3.96Å; Y43-Y47 HydrophobicContact CE1-CE1 4.43Å; Y43-Y47 AromaticContact CE1-CE2 3.37Å; Y43-Y47 HydrophobicContact CE1-CE2 3.37Å; Y43-Y47 AromaticContact CE1-CZ 3.65Å; Y47-Q51 CarbonylContact C-O 3.55Å; Y47-Q51 WeakPolarHBondContact CA-O 3.49Å; Y47-Q51 WeakPolarHBondContact CD1-O 3.43Å; Y47-R52 HydrophobicContact CD1-CG 4.45Å; Y47-R52 HydrophobicContact CE1-CG 3.85Å
48E98.3Very high97.6Very high86 Ų8646.7 Ų46.740%0.40227%0.266SS..EExtended strand (participates in β ladder)trans-136.3125170.2-174.1177.7-121.700108.3G50 Q51 H53E48-G50 VanDerWaalsContact C-N 3.31Å; E48-G50 PolarHBondContact O-N 2.91Å; E48-Q51 PolarHBondContact N-O 2.93Å; E48-Q51 WeakPolarHBondContact O-CB 3.4Å; E48-Q51 PolarHBondContact O-N 2.89Å; E48-H53 HydrophobicContact CB-CB 3.61Å; E48-H53 IonicContact OE2-CE1 3.92Å; E48-H53 PolarHBondContact OE2-CE1 2.69Å; E48-H53 IonicContact OE2-CG 3.16Å; E48-H53 IonicContact OE2-ND1 3.37Å; E48-H53 PolarHBondContact OE2-ND1 2.82Å; E48-H53 VanDerWaalsContact OE2-ND1 3.16Å; E48-H53 IonicContact OE2-NE2 2.66Å
49N96.6Very high97.8Very high81 Ų8148.6 Ų48.643%0.43326%0.261SS..THydrogen-bonded Turntrans46.951178.7-53.4-32.2000113.1E28 H30 Q51E28-N49 WeakPolarHBondContact OE2-CA 3.28Å; H30-N49 PolarHBondContact ND1-N 2.95Å; N49-Q51 PolarHBondContact O-N 3.16Å
50G95.9Very high98Very high28 Ų2847.1 Ų47.129%0.28925%0.251SS..THydrogen-bonded Turntrans78.9-7.517900000115.5R29 E48R29-G50 WeakPolarHBondContact O-CA 3.06Å; R29-G50 PolarHBondContact O-N 2.77Å; E48-G50 VanDerWaalsContact C-N 3.31Å; E48-G50 PolarHBondContact O-N 2.91Å
51Q97.2Very high98.1Very high68 Ų6855.4 Ų55.432%0.31827%0.272SS..EExtended strand (participates in β ladder)trans-110.3148.2-173.6-55.6178.558.200111.1Y47 E48 N49 H53 Q72 N73Y47-Q51 CarbonylContact C-O 3.55Å; Y47-Q51 WeakPolarHBondContact CA-O 3.49Å; Y47-Q51 WeakPolarHBondContact CD1-O 3.43Å; E48-Q51 PolarHBondContact N-O 2.93Å; E48-Q51 WeakPolarHBondContact O-CB 3.4Å; E48-Q51 PolarHBondContact O-N 2.89Å; N49-Q51 PolarHBondContact O-N 3.16Å; Q51-H53 PolarHBondContact O-N 2.63Å; Q51-Q72 VanDerWaalsContact OE1-CA 3.29Å; Q51-N73 WeakPolarHBondContact CB-ND2 3.32Å; Q51-N73 WeakPolarHBondContact CG-ND2 3.39Å
52R98.1Very high98Very high50 Ų5060 Ų6019%0.18930%0.297CS..EExtended strand (participates in β ladder)trans-63.8126.8170.7-58.2168.3-73.9-171.52.6108.4Y43 Y47 Y70 Q72 N73Y43-R52 HydrophobicContact CD1-CG 3.95Å; Y43-R52 HydrophobicContact CD2-CG 4.14Å; Y43-R52 HydrophobicContact CE1-CB 4.22Å; Y43-R52 HydrophobicContact CE1-CG 3.69Å; Y43-R52 HydrophobicContact CE2-CB 4.17Å; Y43-R52 HydrophobicContact CE2-CG 3.89Å; Y43-R52 HydrophobicContact CG-CG 4.13Å; Y47-R52 HydrophobicContact CD1-CG 4.45Å; Y47-R52 HydrophobicContact CE1-CG 3.85Å; R52-Y70 HydrophobicContact CB-CD1 4.04Å; R52-Y70 HydrophobicContact CB-CG 4.06Å; R52-Q72 PolarHBondContact O-N 2.77Å; R52-N73 PolarHBondContact N-OD1 2.98Å; R52-N73 PolarHBondContact NE-OD1 2.78Å; R52-N73 PolarHBondContact NH2-O 2.78Å; R52-N73 PolarHBondContact O-N 3.47Å
53H98.4Very high98Very high61 Ų6160.2 Ų60.228%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-150.5139.1-177.1-165.6111.7000109.4M46 E48 Q51 Y70M46-H53 CarbonylContact C-O 3.51Å; M46-H53 WeakPolarHBondContact CA-O 3.26Å; M46-H53 WeakPolarHBondContact CB-O 3.32Å; M46-H53 PolarHBondContact O-N 2.84Å; E48-H53 HydrophobicContact CB-CB 3.61Å; E48-H53 IonicContact OE2-CE1 3.92Å; E48-H53 PolarHBondContact OE2-CE1 2.69Å; E48-H53 IonicContact OE2-CG 3.16Å; E48-H53 IonicContact OE2-ND1 3.37Å; E48-H53 PolarHBondContact OE2-ND1 2.82Å; E48-H53 VanDerWaalsContact OE2-ND1 3.16Å; E48-H53 IonicContact OE2-NE2 2.66Å; Q51-H53 PolarHBondContact O-N 2.63Å; H53-Y70 CarbonylContact C-O 3.47Å; H53-Y70 WeakPolarHBondContact CA-O 3.06Å
54G98.4Very high98Very high23 Ų2360.4 Ų60.424%0.23731%0.314CS..EExtended strand (participates in β ladder)trans75.3-161.9-174.300000112.1D69 Y70G54-D69 CarbonylContact O-C 3.51Å; G54-D69 WeakPolarHBondContact O-CA 3.43Å; G54-Y70 PolarHBondContact N-O 2.7Å; G54-Y70 PolarHBondContact O-N 2.66Å
55S98.6Very high98Very high75 Ų7559.5 Ų59.552%0.52431%0.307SS..EExtended strand (participates in β ladder)trans-72.1139-172.7-47.70000112.7M46 D69M46-S55 PolarHBondContact N-O 3.24Å; M46-S55 VanDerWaalsContact N-O 3.13Å; S55-D69 WeakPolarHBondContact CA-OD1 3.48Å; S55-D69 WeakPolarHBondContact CB-OD1 3.26Å; S55-D69 PolarHBondContact OG-OD1 2.76Å
56G98.5Very high98Very high7 Ų759.4 Ų59.47%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-161.9167177.600000114.1Q44 V67 G68Q44-G56 CarbonylContact O-C 3.39Å; Q44-G56 WeakPolarHBondContact O-CA 3.3Å; G56-V67 WeakPolarHBondContact O-CA 2.83Å; G56-G68 PolarHBondContact N-O 3.19Å; G56-G68 PolarHBondContact O-N 2.85Å; G56-G68 VanDerWaalsContact O-O 3.14Å
57T98.8Very high98Very high34 Ų3457.9 Ų57.921%0.20930%0.302CS..EExtended strand (participates in β ladder)trans-118.5124173.3-64.60000109.4Y43 Q44 R59 R65 Y66 V67Y43-T57 WeakPolarHBondContact CA-O 3.31Å; Q44-T57 PolarHBondContact N-O 3.05Å; Q44-T57 PolarHBondContact O-N 2.89Å; T57-R59 HydrophobicContact CG2-CG 4.11Å; T57-R65 HydrophobicContact CG2-CG 4.21Å; T57-Y66 CarbonylContact C-O 3.54Å; T57-Y66 VanDerWaalsContact CA-O 3.3Å; T57-Y66 WeakPolarHBondContact CA-O 3.17Å; T57-V67 HydrophobicContact CG2-CG2 4.02Å
58Y98.7Very high98Very high17 Ų1757.8 Ų57.87%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-110.9121.8172.8-164.1-75.9000109.5L37 D41 I42 Y43 F60 R65 Y66 Y70L37-Y58 HydrophobicContact CD1-CE2 3.51Å; L37-Y58 WeakPolarHBondContact CD1-OH 3.33Å; D41-Y58 HydrophobicContact CB-CE1 3.64Å; D41-Y58 VanDerWaalsContact CB-OH 3.31Å; D41-Y58 WeakPolarHBondContact CB-OH 3.49Å; D41-Y58 VanDerWaalsContact OD2-CE1 3.26Å; D41-Y58 WeakPolarHBondContact OD2-CE1 3.33Å; D41-Y58 PolarHBondContact OD2-OH 2.91Å; I42-Y58 CarbonylContact O-C 3.51Å; I42-Y58 WeakPolarHBondContact O-CA 3.2Å; Y43-Y58 AromaticContact CD2-CD2 3.84Å; Y43-Y58 HydrophobicContact CD2-CD2 3.84Å; Y43-Y58 HydrophobicContact CD2-CG 4.49Å; Y43-Y58 HydrophobicContact CG-CD2 4.32Å; Y58-F60 AromaticContact CD1-CD1 3.91Å; Y58-F60 HydrophobicContact CD1-CD1 3.91Å; Y58-F60 AromaticContact CD1-CD2 3.63Å; Y58-F60 HydrophobicContact CD1-CD2 3.63Å; Y58-F60 AromaticContact CD1-CE1 3.72Å; Y58-F60 HydrophobicContact CD1-CE1 3.72Å; Y58-F60 AromaticContact CD1-CE2 3.44Å; Y58-F60 HydrophobicContact CD1-CE2 3.44Å; Y58-F60 VanDerWaalsContact CD1-CE2 3.44Å; Y58-F60 AromaticContact CD1-CG 3.86Å; Y58-F60 HydrophobicContact CD1-CG 3.86Å; Y58-F60 AromaticContact CD1-CZ 3.48Å; Y58-F60 HydrophobicContact CD1-CZ 3.48Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.48Å; Y58-F60 AromaticContact CE1-CD1 3.47Å; Y58-F60 HydrophobicContact CE1-CD1 3.47Å; Y58-F60 VanDerWaalsContact CE1-CD1 3.47Å; Y58-F60 HydrophobicContact CE1-CD2 4.07Å; Y58-F60 AromaticContact CE1-CE1 3.4Å; Y58-F60 HydrophobicContact CE1-CE1 3.4Å; Y58-F60 VanDerWaalsContact CE1-CE1 3.4Å; Y58-F60 HydrophobicContact CE1-CE2 4.03Å; Y58-F60 AromaticContact CE1-CG 3.81Å; Y58-F60 HydrophobicContact CE1-CG 3.81Å; Y58-F60 AromaticContact CE1-CZ 3.7Å; Y58-F60 HydrophobicContact CE1-CZ 3.7Å; Y58-F60 HydrophobicContact CG-CE2 4.34Å; Y58-F60 HydrophobicContact CG-CZ 4.35Å; Y58-R65 CarbonylContact O-C 3.51Å; Y58-R65 VanDerWaalsContact O-CA 3.28Å; Y58-R65 WeakPolarHBondContact O-CA 3.49Å; Y58-Y66 PolarHBondContact N-O 2.83Å; Y58-Y66 PolarHBondContact O-N 2.75Å; Y58-Y70 WeakPolarHBondContact CB-OH 3.26Å
59R98.6Very high98Very high130 Ų13056.3 Ų56.349%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-108.6116.5177-64.5177.1-179.7-89.10.2107.9D41 I42 T57 R65D41-R59 WeakPolarHBondContact CA-O 3.47Å; I42-R59 HydrophobicContact CB-CB 4.4Å; I42-R59 PolarHBondContact N-O 3.49Å; I42-R59 PolarHBondContact O-N 2.99Å; T57-R59 HydrophobicContact CG2-CG 4.11Å; R59-R65 HydrophobicContact CG-CG 4.28Å
60F98.3Very high98.1Very high51 Ų5152.7 Ų52.722%0.22428%0.279CS..  trans-83.9143.8178-62-97.6000109.3D41 Y58 N62 G63 A64 F81D41-F60 VanDerWaalsContact OD1-CA 3.32Å; D41-F60 WeakPolarHBondContact OD1-CA 3.36Å; Y58-F60 AromaticContact CD1-CD1 3.91Å; Y58-F60 HydrophobicContact CD1-CD1 3.91Å; Y58-F60 AromaticContact CD1-CD2 3.63Å; Y58-F60 HydrophobicContact CD1-CD2 3.63Å; Y58-F60 AromaticContact CD1-CE1 3.72Å; Y58-F60 HydrophobicContact CD1-CE1 3.72Å; Y58-F60 AromaticContact CD1-CE2 3.44Å; Y58-F60 HydrophobicContact CD1-CE2 3.44Å; Y58-F60 VanDerWaalsContact CD1-CE2 3.44Å; Y58-F60 AromaticContact CD1-CG 3.86Å; Y58-F60 HydrophobicContact CD1-CG 3.86Å; Y58-F60 AromaticContact CD1-CZ 3.48Å; Y58-F60 HydrophobicContact CD1-CZ 3.48Å; Y58-F60 VanDerWaalsContact CD1-CZ 3.48Å; Y58-F60 AromaticContact CE1-CD1 3.47Å; Y58-F60 HydrophobicContact CE1-CD1 3.47Å; Y58-F60 VanDerWaalsContact CE1-CD1 3.47Å; Y58-F60 HydrophobicContact CE1-CD2 4.07Å; Y58-F60 AromaticContact CE1-CE1 3.4Å; Y58-F60 HydrophobicContact CE1-CE1 3.4Å; Y58-F60 VanDerWaalsContact CE1-CE1 3.4Å; Y58-F60 HydrophobicContact CE1-CE2 4.03Å; Y58-F60 AromaticContact CE1-CG 3.81Å; Y58-F60 HydrophobicContact CE1-CG 3.81Å; Y58-F60 AromaticContact CE1-CZ 3.7Å; Y58-F60 HydrophobicContact CE1-CZ 3.7Å; Y58-F60 HydrophobicContact CG-CE2 4.34Å; Y58-F60 HydrophobicContact CG-CZ 4.35Å; F60-N62 WeakPolarHBondContact CB-OD1 3.12Å; F60-N62 PolarHBondContact O-N 2.99Å; F60-N62 VanDerWaalsContact O-N 3.16Å; F60-G63 PolarHBondContact O-N 2.83Å; F60-A64 HydrophobicContact CB-CB 3.94Å; F60-A64 HydrophobicContact CD2-CB 3.66Å; F60-A64 WeakPolarHBondContact CD2-O 3.48Å; F60-A64 HydrophobicContact CE2-CB 4.44Å; F60-A64 HydrophobicContact CG-CB 3.97Å; F60-A64 PolarHBondContact N-O 3.32Å; F60-F81 HydrophobicContact CD2-CZ 4.38Å; F60-F81 AromaticContact CE2-CE2 3.62Å; F60-F81 HydrophobicContact CE2-CE2 3.62Å; F60-F81 AromaticContact CE2-CZ 3.85Å; F60-F81 HydrophobicContact CE2-CZ 3.85Å; F60-F81 AromaticContact CZ-CE2 3.95Å; F60-F81 HydrophobicContact CZ-CE2 3.95Å; F60-F81 HydrophobicContact CZ-CZ 4.29Å
61R97.6Very high98.3Very high204 Ų20453.6 Ų53.677%0.7728%0.279SS*.THydrogen-bonded Turntrans-58.6-27.5175.5-176.6177.8174.9-173.2-0.4112.8N39 D41 G63N39-R61 WeakPolarHBondContact O-CD 3.5Å; D41-R61 PolarHBondContact OD1-N 2.88Å; R61-G63 PolarHBondContact O-N 2.75Å
62N96.3Very high98.3Very high110 Ų11056.2 Ų56.259%0.58829%0.291SS*.THydrogen-bonded Turntrans-74.71.7176.471.43.7000114.2F60 A64F60-N62 WeakPolarHBondContact CB-OD1 3.12Å; F60-N62 PolarHBondContact O-N 2.99Å; F60-N62 VanDerWaalsContact O-N 3.16Å; N62-A64 WeakPolarHBondContact OD1-CB 3.24Å; N62-A64 PolarHBondContact OD1-N 2.86Å
63G96.7Very high98.2Very high59 Ų5956.5 Ų56.561%0.60830%0.296SS*.SBendtrans93.4-10.3-179.700000114.7F60 R61F60-G63 PolarHBondContact O-N 2.83Å; R61-G63 PolarHBondContact O-N 2.75Å
64A98.6Very high98.2Very high4 Ų457.5 Ų57.53%0.03330%0.3CS..  trans-66.3156.7173.400000110.8F60 N62 F81 Y82 P84F60-A64 HydrophobicContact CB-CB 3.94Å; F60-A64 HydrophobicContact CD2-CB 3.66Å; F60-A64 WeakPolarHBondContact CD2-O 3.48Å; F60-A64 HydrophobicContact CE2-CB 4.44Å; F60-A64 HydrophobicContact CG-CB 3.97Å; F60-A64 PolarHBondContact N-O 3.32Å; N62-A64 WeakPolarHBondContact OD1-CB 3.24Å; N62-A64 PolarHBondContact OD1-N 2.86Å; A64-F81 HydrophobicContact CB-CE1 3.88Å; A64-F81 HydrophobicContact CB-CZ 3.84Å; A64-Y82 CarbonylContact C-O 3.59Å; A64-Y82 VanDerWaalsContact CA-O 3.32Å; A64-Y82 WeakPolarHBondContact CA-O 3.34Å; A64-P84 HydrophobicContact CB-CG 3.92Å
65R98.7Very high98.3Very high66 Ų6657.8 Ų57.825%0.24930%0.295CS..EExtended strand (participates in β ladder)trans-147.4133.1176.9178.1173.459.395.6-0.1111.1T57 Y58 R59 V67 F81 Y82T57-R65 HydrophobicContact CG2-CG 4.21Å; Y58-R65 CarbonylContact O-C 3.51Å; Y58-R65 VanDerWaalsContact O-CA 3.28Å; Y58-R65 WeakPolarHBondContact O-CA 3.49Å; R59-R65 HydrophobicContact CG-CG 4.28Å; R65-V67 HydrophobicContact CG-CG2 4.22Å; R65-F81 CarbonylContact O-C 3.5Å; R65-F81 WeakPolarHBondContact O-CA 3.22Å; R65-Y82 HydrophobicContact CB-CD2 4.37Å; R65-Y82 HydrophobicContact CG-CD2 4.44Å; R65-Y82 VanDerWaalsContact CZ-CD2 3.43Å; R65-Y82 PolarHBondContact N-O 2.94Å; R65-Y82 VanDerWaalsContact NH2-CD2 3.32Å; R65-Y82 PolarHBondContact O-N 3.16Å
66Y98.8Very high98.3Very high0 Ų057.2 Ų57.20%028%0.284CS..EExtended strand (participates in β ladder)trans-110.2139167.6178.3-96.9000110.2T57 Y58 D69 Y70 K75 T80 F81 W93T57-Y66 CarbonylContact C-O 3.54Å; T57-Y66 VanDerWaalsContact CA-O 3.3Å; T57-Y66 WeakPolarHBondContact CA-O 3.17Å; Y58-Y66 PolarHBondContact N-O 2.83Å; Y58-Y66 PolarHBondContact O-N 2.75Å; Y66-D69 PolarHBondContact OH-N 2.93Å; Y66-D69 PolarHBondContact OH-O 3.24Å; Y66-D69 VanDerWaalsContact OH-O 3.1Å; Y66-Y70 AromaticContact CD1-CE2 3.52Å; Y66-Y70 HydrophobicContact CD1-CE2 3.52Å; Y66-Y70 AromaticContact CD1-CZ 3.46Å; Y66-Y70 VanDerWaalsContact CD1-CZ 3.46Å; Y66-Y70 WeakPolarHBondContact CD1-OH 3.47Å; Y66-Y70 HydrophobicContact CE1-CD2 4.13Å; Y66-Y70 HydrophobicContact CE1-CE1 4.46Å; Y66-Y70 AromaticContact CE1-CE2 3.4Å; Y66-Y70 HydrophobicContact CE1-CE2 3.4Å; Y66-Y70 VanDerWaalsContact CE1-CE2 3.4Å; Y66-Y70 AromaticContact CE1-CZ 3.61Å; Y66-K75 HydrophobicContact CD1-CD 4.47Å; Y66-K75 HydrophobicContact CD1-CG 4.03Å; Y66-K75 HydrophobicContact CD2-CD 3.79Å; Y66-K75 HydrophobicContact CD2-CG 4.12Å; Y66-K75 HydrophobicContact CE1-CB 4.17Å; Y66-K75 HydrophobicContact CE1-CD 4.47Å; Y66-K75 HydrophobicContact CE1-CG 3.75Å; Y66-K75 HydrophobicContact CE2-CB 4.07Å; Y66-K75 HydrophobicContact CE2-CD 3.79Å; Y66-K75 HydrophobicContact CE2-CG 3.85Å; Y66-K75 HydrophobicContact CG-CD 4.1Å; Y66-K75 HydrophobicContact CG-CG 4.17Å; Y66-T80 CarbonylContact C-O 3.39Å; Y66-T80 WeakPolarHBondContact CA-O 3.1Å; Y66-F81 HydrophobicContact CD2-CB 4.2Å; Y66-F81 AromaticContact CD2-CD2 3.91Å; Y66-F81 HydrophobicContact CD2-CD2 3.91Å; Y66-F81 HydrophobicContact CG-CD2 4.33Å; Y66-W93 HydrophobicContact CD2-CZ2 4.28Å; Y66-W93 AromaticContact CE2-CD1 4Å; Y66-W93 HydrophobicContact CE2-CD2 4.03Å; Y66-W93 AromaticContact CE2-CE2 3.66Å; Y66-W93 HydrophobicContact CE2-CG 4.23Å; Y66-W93 HydrophobicContact CE2-CZ2 4.07Å; Y66-W93 AromaticContact CE2-NE1 3.65Å
67V98.9Very high98.3Very high51 Ų5158 Ų5831%0.30929%0.292SS..EExtended strand (participates in β ladder)trans-132.6116.3170.5-177.70000107.3G56 T57 R65 G79 T80 Y82G56-V67 WeakPolarHBondContact O-CA 2.83Å; T57-V67 HydrophobicContact CG2-CG2 4.02Å; R65-V67 HydrophobicContact CG-CG2 4.22Å; V67-G79 CarbonylContact O-C 3.5Å; V67-G79 WeakPolarHBondContact O-CA 3.36Å; V67-T80 PolarHBondContact N-O 3.37Å; V67-T80 PolarHBondContact O-N 3.42Å; V67-Y82 HydrophobicContact CG2-CE2 4.46Å
68G98.6Very high98.2Very high9 Ų961.7 Ų61.79%0.09331%0.306CS..EExtended strand (participates in β ladder)trans168.7-166.8-177.100000112G56 Q78G56-G68 PolarHBondContact N-O 3.19Å; G56-G68 PolarHBondContact O-N 2.85Å; G56-G68 VanDerWaalsContact O-O 3.14Å; G68-Q78 VanDerWaalsContact CA-O 3.24Å; G68-Q78 WeakPolarHBondContact CA-O 3.49Å
69D98.5Very high98.2Very high55 Ų5561.1 Ų61.129%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-87.4152.4-176.9-54.2-46.3000112.3G54 S55 Y66 H76 Q78G54-D69 CarbonylContact O-C 3.51Å; G54-D69 WeakPolarHBondContact O-CA 3.43Å; S55-D69 WeakPolarHBondContact CA-OD1 3.48Å; S55-D69 WeakPolarHBondContact CB-OD1 3.26Å; S55-D69 PolarHBondContact OG-OD1 2.76Å; Y66-D69 PolarHBondContact OH-N 2.93Å; Y66-D69 PolarHBondContact OH-O 3.24Å; Y66-D69 VanDerWaalsContact OH-O 3.1Å; D69-H76 CarbonylContact C-O 3.59Å; D69-H76 VanDerWaalsContact CB-O 3.28Å; D69-H76 WeakPolarHBondContact CB-O 3.34Å; D69-H76 PolarHBondContact O-N 2.87Å; D69-Q78 PolarHBondContact N-O 2.98Å; D69-Q78 VanDerWaalsContact N-O 3.09Å
70Y98.8Very high98.3Very high4 Ų456.2 Ų56.22%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-125.9145.9177.1-74.5-94.7000110.2Y43 R52 H53 G54 Y58 Y66 K74 K75Y43-Y70 AromaticContact CE2-CD2 3.96Å; Y43-Y70 HydrophobicContact CE2-CD2 3.96Å; Y43-Y70 AromaticContact CE2-CE2 3.66Å; Y43-Y70 HydrophobicContact CE2-CE2 3.66Å; R52-Y70 HydrophobicContact CB-CD1 4.04Å; R52-Y70 HydrophobicContact CB-CG 4.06Å; H53-Y70 CarbonylContact C-O 3.47Å; H53-Y70 WeakPolarHBondContact CA-O 3.06Å; G54-Y70 PolarHBondContact N-O 2.7Å; G54-Y70 PolarHBondContact O-N 2.66Å; Y58-Y70 WeakPolarHBondContact CB-OH 3.26Å; Y66-Y70 AromaticContact CD1-CE2 3.52Å; Y66-Y70 HydrophobicContact CD1-CE2 3.52Å; Y66-Y70 AromaticContact CD1-CZ 3.46Å; Y66-Y70 VanDerWaalsContact CD1-CZ 3.46Å; Y66-Y70 WeakPolarHBondContact CD1-OH 3.47Å; Y66-Y70 HydrophobicContact CE1-CD2 4.13Å; Y66-Y70 HydrophobicContact CE1-CE1 4.46Å; Y66-Y70 AromaticContact CE1-CE2 3.4Å; Y66-Y70 HydrophobicContact CE1-CE2 3.4Å; Y66-Y70 VanDerWaalsContact CE1-CE2 3.4Å; Y66-Y70 AromaticContact CE1-CZ 3.61Å; Y70-K74 CarbonylContact C-O 3.59Å; Y70-K74 WeakPolarHBondContact CA-O 3.04Å; Y70-K75 HydrophobicContact CE1-CG 3.98Å
71V98.6Very high98.3Very high47 Ų4754.6 Ų54.629%0.28528%0.283SS..EExtended strand (participates in β ladder)trans-133.4123.3165.5174.80000106.5N73 K74 H76V71-N73 PolarHBondContact O-N 2.61Å; V71-K74 PolarHBondContact N-O 2.76Å; V71-K74 PolarHBondContact O-N 3.13Å; V71-H76 HydrophobicContact CB-CB 3.99Å; V71-H76 HydrophobicContact CG2-CB 3.8Å
72Q97.3Very high98.3Very high123 Ų12348.3 Ų48.358%0.57526%0.26SS*.THydrogen-bonded Turntrans48.254.8176.4-64.2-178.6-19.100113.2Q51 R52 K74Q51-Q72 VanDerWaalsContact OE1-CA 3.29Å; R52-Q72 PolarHBondContact O-N 2.77Å; Q72-K74 PolarHBondContact O-N 3.27Å; Q72-K74 VanDerWaalsContact O-N 3.16Å
73N97.6Very high98.4Very high56 Ų5645.5 Ų45.530%0.29924%0.242SC..THydrogen-bonded Turntrans68.8-4-177.6-69.4-50.1000117.5Q51 R52 V71Q51-N73 WeakPolarHBondContact CB-ND2 3.32Å; Q51-N73 WeakPolarHBondContact CG-ND2 3.39Å; R52-N73 PolarHBondContact N-OD1 2.98Å; R52-N73 PolarHBondContact NE-OD1 2.78Å; R52-N73 PolarHBondContact NH2-O 2.78Å; R52-N73 PolarHBondContact O-N 3.47Å; V71-N73 PolarHBondContact O-N 2.61Å
74K98.4Very high98.5Very high82 Ų8246.5 Ų46.536%0.35724%0.238SC..EExtended strand (participates in β ladder)trans-105.2145.1-178.8-60.8177-176.7178.30111.1Y70 V71 Q72 H76 E95 D96Y70-K74 CarbonylContact C-O 3.59Å; Y70-K74 WeakPolarHBondContact CA-O 3.04Å; V71-K74 PolarHBondContact N-O 2.76Å; V71-K74 PolarHBondContact O-N 3.13Å; Q72-K74 PolarHBondContact O-N 3.27Å; Q72-K74 VanDerWaalsContact O-N 3.16Å; K74-H76 PolarHBondContact O-N 3.09Å; K74-E95 HydrophobicContact CD-CB 4.11Å; K74-E95 WeakPolarHBondContact CD-OE2 3.5Å; K74-E95 WeakPolarHBondContact CE-OE2 3.47Å; K74-E95 IonicContact NZ-OE2 3.73Å; K74-E95 PolarHBondContact NZ-OE2 3.04Å; K74-D96 WeakPolarHBondContact CG-OD2 3.5Å
75K98.6Very high98.5Very high30 Ų3050.8 Ų50.813%0.1326%0.26CS..EExtended strand (participates in β ladder)trans-61.5131.5170.4-57161.9-162.5160.40108.3Y66 Y70 W93 E95 D96Y66-K75 HydrophobicContact CD1-CD 4.47Å; Y66-K75 HydrophobicContact CD1-CG 4.03Å; Y66-K75 HydrophobicContact CD2-CD 3.79Å; Y66-K75 HydrophobicContact CD2-CG 4.12Å; Y66-K75 HydrophobicContact CE1-CB 4.17Å; Y66-K75 HydrophobicContact CE1-CD 4.47Å; Y66-K75 HydrophobicContact CE1-CG 3.75Å; Y66-K75 HydrophobicContact CE2-CB 4.07Å; Y66-K75 HydrophobicContact CE2-CD 3.79Å; Y66-K75 HydrophobicContact CE2-CG 3.85Å; Y66-K75 HydrophobicContact CG-CD 4.1Å; Y66-K75 HydrophobicContact CG-CG 4.17Å; Y70-K75 HydrophobicContact CE1-CG 3.98Å; K75-W93 HydrophobicContact CB-CB 4.15Å; K75-W93 HydrophobicContact CB-CD2 4.2Å; K75-W93 HydrophobicContact CB-CE3 4.06Å; K75-W93 HydrophobicContact CB-CG 4.25Å; K75-W93 HydrophobicContact CD-CD2 4.28Å; K75-W93 HydrophobicContact CD-CE3 3.75Å; K75-W93 HydrophobicContact CD-CH2 4.3Å; K75-W93 HydrophobicContact CD-CZ3 3.76Å; K75-E95 PolarHBondContact O-N 2.79Å; K75-D96 VanDerWaalsContact CG-OD1 3.28Å; K75-D96 WeakPolarHBondContact CG-OD1 3.48Å; K75-D96 PolarHBondContact N-OD1 3.28Å; K75-D96 PolarHBondContact O-N 2.83Å
76H98.7Very high98.5Very high63 Ų6350.5 Ų50.529%0.29228%0.278SS..EExtended strand (participates in β ladder)trans-149.1160.8-177.7-156.698.6000108.8D69 V71 K74 W93 E95D69-H76 CarbonylContact C-O 3.59Å; D69-H76 VanDerWaalsContact CB-O 3.28Å; D69-H76 WeakPolarHBondContact CB-O 3.34Å; D69-H76 PolarHBondContact O-N 2.87Å; V71-H76 HydrophobicContact CB-CB 3.99Å; V71-H76 HydrophobicContact CG2-CB 3.8Å; K74-H76 PolarHBondContact O-N 3.09Å; H76-W93 CarbonylContact C-O 3.28Å; H76-W93 VanDerWaalsContact CA-O 3.32Å; H76-W93 WeakPolarHBondContact CA-O 3.42Å; H76-E95 IonicContact CE1-OE1 2.71Å; H76-E95 IonicContact ND1-OE1 2.82Å; H76-E95 PolarHBondContact ND1-OE1 2.75Å
77G98.4Very high98.4Very high23 Ų2350.6 Ų50.624%0.23728%0.278CS..EExtended strand (participates in β ladder)trans67.9-141.5176.100000112.5T92 W93G77-T92 CarbonylContact O-C 3.54Å; G77-T92 WeakPolarHBondContact O-CA 3.28Å; G77-W93 PolarHBondContact N-O 3.04Å; G77-W93 PolarHBondContact O-N 2.88Å
78Q98.5Very high98.4Very high111 Ų11150.5 Ų50.552%0.51927%0.273SS..EExtended strand (participates in β ladder)trans-86.7137.5-179-67.7-58.4-46.300111G68 D69 T92G68-Q78 VanDerWaalsContact CA-O 3.24Å; G68-Q78 WeakPolarHBondContact CA-O 3.49Å; D69-Q78 PolarHBondContact N-O 2.98Å; D69-Q78 VanDerWaalsContact N-O 3.09Å; Q78-T92 PolarHBondContact NE2-OG1 3.09Å
79G98.7Very high98.4Very high6 Ų650 Ų506%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-163.5151.5177.200000114.5V67 G91 W93V67-G79 CarbonylContact O-C 3.5Å; V67-G79 WeakPolarHBondContact O-CA 3.36Å; G79-G91 PolarHBondContact N-O 3.48Å; G79-G91 PolarHBondContact O-N 2.93Å; G79-G91 VanDerWaalsContact O-N 3.09Å; G79-W93 PolarHBondContact O-NE1 3.1Å
80T98.9Very high98.5Very high27 Ų2751 Ų5117%0.16627%0.272CS..EExtended strand (participates in β ladder)trans-110.2125.2172.3-53.10000110.4Y66 V67 Y82 K88 Y89 E90Y66-T80 CarbonylContact C-O 3.39Å; Y66-T80 WeakPolarHBondContact CA-O 3.1Å; V67-T80 PolarHBondContact N-O 3.37Å; V67-T80 PolarHBondContact O-N 3.42Å; T80-Y82 HydrophobicContact CG2-CD2 3.91Å; T80-Y82 HydrophobicContact CG2-CE1 4.14Å; T80-Y82 HydrophobicContact CG2-CE2 3.28Å; T80-Y82 VanDerWaalsContact CG2-CZ 3.41Å; T80-K88 HydrophobicContact CG2-CD 4.24Å; T80-K88 HydrophobicContact CG2-CG 3.92Å; T80-Y89 CarbonylContact C-O 3.57Å; T80-Y89 WeakPolarHBondContact CA-O 3.27Å; T80-E90 HydrophobicContact CG2-CG 3.65Å
81F98.9Very high98.5Very high16 Ų1651.1 Ų51.17%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-109.4124170.5-162.5-75.2000110F60 A64 R65 Y66 Y83 K88 Y89 W93F60-F81 HydrophobicContact CD2-CZ 4.38Å; F60-F81 AromaticContact CE2-CE2 3.62Å; F60-F81 HydrophobicContact CE2-CE2 3.62Å; F60-F81 AromaticContact CE2-CZ 3.85Å; F60-F81 HydrophobicContact CE2-CZ 3.85Å; F60-F81 AromaticContact CZ-CE2 3.95Å; F60-F81 HydrophobicContact CZ-CE2 3.95Å; F60-F81 HydrophobicContact CZ-CZ 4.29Å; A64-F81 HydrophobicContact CB-CE1 3.88Å; A64-F81 HydrophobicContact CB-CZ 3.84Å; R65-F81 CarbonylContact O-C 3.5Å; R65-F81 WeakPolarHBondContact O-CA 3.22Å; Y66-F81 HydrophobicContact CD2-CB 4.2Å; Y66-F81 AromaticContact CD2-CD2 3.91Å; Y66-F81 HydrophobicContact CD2-CD2 3.91Å; Y66-F81 HydrophobicContact CG-CD2 4.33Å; F81-Y83 HydrophobicContact CB-CE2 4.24Å; F81-Y83 AromaticContact CD1-CD1 3.63Å; F81-Y83 HydrophobicContact CD1-CD1 3.63Å; F81-Y83 AromaticContact CD1-CD2 3.71Å; F81-Y83 HydrophobicContact CD1-CD2 3.71Å; F81-Y83 AromaticContact CD1-CE1 3.42Å; F81-Y83 HydrophobicContact CD1-CE1 3.42Å; F81-Y83 VanDerWaalsContact CD1-CE1 3.42Å; F81-Y83 AromaticContact CD1-CE2 3.52Å; F81-Y83 HydrophobicContact CD1-CE2 3.52Å; F81-Y83 AromaticContact CD1-CG 3.74Å; F81-Y83 HydrophobicContact CD1-CG 3.74Å; F81-Y83 AromaticContact CD1-CZ 3.34Å; F81-Y83 AromaticContact CE1-CD1 3.4Å; F81-Y83 HydrophobicContact CE1-CD1 3.4Å; F81-Y83 VanDerWaalsContact CE1-CD1 3.4Å; F81-Y83 HydrophobicContact CE1-CD2 4.3Å; F81-Y83 AromaticContact CE1-CE1 3.38Å; F81-Y83 HydrophobicContact CE1-CE1 3.38Å; F81-Y83 HydrophobicContact CE1-CE2 4.3Å; F81-Y83 AromaticContact CE1-CG 3.86Å; F81-Y83 HydrophobicContact CE1-CG 3.86Å; F81-Y83 AromaticContact CE1-CZ 3.84Å; F81-Y83 HydrophobicContact CG-CE1 4.38Å; F81-Y83 HydrophobicContact CG-CE2 4.23Å; F81-Y83 HydrophobicContact CZ-CE1 4.32Å; F81-K88 CarbonylContact O-C 3.56Å; F81-K88 VanDerWaalsContact O-CA 3.32Å; F81-K88 WeakPolarHBondContact O-CA 3.44Å; F81-Y89 PolarHBondContact N-O 2.89Å; F81-Y89 PolarHBondContact O-N 2.82Å; F81-W93 HydrophobicContact CB-CH2 3.88Å; F81-W93 HydrophobicContact CB-CZ2 3.56Å; F81-W93 HydrophobicContact CD2-CH2 4.11Å; F81-W93 HydrophobicContact CD2-CZ2 4.45Å; F81-W93 HydrophobicContact CG-CH2 4.23Å; F81-W93 HydrophobicContact CG-CZ2 4.37Å
82Y98.8Very high98.5Very high73 Ų7350.7 Ų50.729%0.28627%0.272SS..EExtended strand (participates in β ladder)trans-101.1120173.6-58.3-95.5000107.8A64 R65 V67 T80 K88A64-Y82 CarbonylContact C-O 3.59Å; A64-Y82 VanDerWaalsContact CA-O 3.32Å; A64-Y82 WeakPolarHBondContact CA-O 3.34Å; R65-Y82 HydrophobicContact CB-CD2 4.37Å; R65-Y82 HydrophobicContact CG-CD2 4.44Å; R65-Y82 VanDerWaalsContact CZ-CD2 3.43Å; R65-Y82 PolarHBondContact N-O 2.94Å; R65-Y82 VanDerWaalsContact NH2-CD2 3.32Å; R65-Y82 PolarHBondContact O-N 3.16Å; V67-Y82 HydrophobicContact CG2-CE2 4.46Å; T80-Y82 HydrophobicContact CG2-CD2 3.91Å; T80-Y82 HydrophobicContact CG2-CE1 4.14Å; T80-Y82 HydrophobicContact CG2-CE2 3.28Å; T80-Y82 VanDerWaalsContact CG2-CZ 3.41Å; Y82-K88 HydrophobicContact CD1-CD 4.29Å; Y82-K88 HydrophobicContact CD1-CG 4.12Å; Y82-K88 HydrophobicContact CE1-CD 3.92Å; Y82-K88 HydrophobicContact CE1-CG 4.17Å
83Y98.6Very high98.5Very high51 Ų5145 Ų4520%0.225%0.245CC..  trans-91.2154.3-179.3-65.8-88.7000111.1F81 D85 G86 S87 R98 Y104F81-Y83 HydrophobicContact CB-CE2 4.24Å; F81-Y83 AromaticContact CD1-CD1 3.63Å; F81-Y83 HydrophobicContact CD1-CD1 3.63Å; F81-Y83 AromaticContact CD1-CD2 3.71Å; F81-Y83 HydrophobicContact CD1-CD2 3.71Å; F81-Y83 AromaticContact CD1-CE1 3.42Å; F81-Y83 HydrophobicContact CD1-CE1 3.42Å; F81-Y83 VanDerWaalsContact CD1-CE1 3.42Å; F81-Y83 AromaticContact CD1-CE2 3.52Å; F81-Y83 HydrophobicContact CD1-CE2 3.52Å; F81-Y83 AromaticContact CD1-CG 3.74Å; F81-Y83 HydrophobicContact CD1-CG 3.74Å; F81-Y83 AromaticContact CD1-CZ 3.34Å; F81-Y83 AromaticContact CE1-CD1 3.4Å; F81-Y83 HydrophobicContact CE1-CD1 3.4Å; F81-Y83 VanDerWaalsContact CE1-CD1 3.4Å; F81-Y83 HydrophobicContact CE1-CD2 4.3Å; F81-Y83 AromaticContact CE1-CE1 3.38Å; F81-Y83 HydrophobicContact CE1-CE1 3.38Å; F81-Y83 HydrophobicContact CE1-CE2 4.3Å; F81-Y83 AromaticContact CE1-CG 3.86Å; F81-Y83 HydrophobicContact CE1-CG 3.86Å; F81-Y83 AromaticContact CE1-CZ 3.84Å; F81-Y83 HydrophobicContact CG-CE1 4.38Å; F81-Y83 HydrophobicContact CG-CE2 4.23Å; F81-Y83 HydrophobicContact CZ-CE1 4.32Å; Y83-D85 WeakPolarHBondContact CB-OD1 3.41Å; Y83-D85 PolarHBondContact O-N 3.29Å; Y83-G86 PolarHBondContact O-N 2.84Å; Y83-G86 VanDerWaalsContact O-N 3.13Å; Y83-S87 WeakPolarHBondContact CB-O 3.2Å; Y83-S87 WeakPolarHBondContact CB-OG 3.21Å; Y83-S87 WeakPolarHBondContact CD2-O 3.28Å; Y83-S87 VanDerWaalsContact CD2-OG 3.29Å; Y83-S87 WeakPolarHBondContact CD2-OG 3.46Å; Y83-S87 PolarHBondContact N-O 2.8Å; Y83-R98 PolarHBondContact OH-NH1 3.01Å; Y83-Y104 HydrophobicContact CD2-CE2 4.41Å; Y83-Y104 AromaticContact CE2-CE2 3.78Å; Y83-Y104 HydrophobicContact CE2-CE2 3.78Å
84P98.1Very high98.6Very high80 Ų8044.5 Ų44.552%0.51924%0.244SC..THydrogen-bonded Turntrans-64-25.1179.9-21.934.2000114A64 G86A64-P84 HydrophobicContact CB-CG 3.92Å; P84-G86 PolarHBondContact O-N 2.85Å
85D98.1Very high98.5Very high94 Ų9444 Ų4450%0.50324%0.243SC..THydrogen-bonded Turntrans-77.2-0.4177.668.1-8.8000113.3Y83 S87 P107Y83-D85 WeakPolarHBondContact CB-OD1 3.41Å; Y83-D85 PolarHBondContact O-N 3.29Å; D85-S87 VanDerWaalsContact C-N 3.34Å; D85-S87 VanDerWaalsContact OD1-CB 3.27Å; D85-S87 WeakPolarHBondContact OD1-CB 3.46Å; D85-S87 PolarHBondContact OD1-N 2.93Å; D85-S87 PolarHBondContact OD1-OG 3.32Å; D85-S87 PolarHBondContact OD2-OG 2.81Å; D85-P107 HydrophobicContact CB-CG 4.18Å; D85-P107 WeakPolarHBondContact OD2-CG 3.29Å
86G97.8Very high98.5Very high60 Ų6045.4 Ų45.462%0.61925%0.252SS*.SBendtrans89-5.5-176.900000114.2Y83 P84Y83-G86 PolarHBondContact O-N 2.84Å; Y83-G86 VanDerWaalsContact O-N 3.13Å; P84-G86 PolarHBondContact O-N 2.85Å
87S98.6Very high98.5Very high2 Ų245.5 Ų45.51%0.01425%0.252CS..  trans-69.7159.2171.767.20000111.8Y83 D85 Y104 T105Y83-S87 WeakPolarHBondContact CB-O 3.2Å; Y83-S87 WeakPolarHBondContact CB-OG 3.21Å; Y83-S87 WeakPolarHBondContact CD2-O 3.28Å; Y83-S87 VanDerWaalsContact CD2-OG 3.29Å; Y83-S87 WeakPolarHBondContact CD2-OG 3.46Å; Y83-S87 PolarHBondContact N-O 2.8Å; D85-S87 VanDerWaalsContact C-N 3.34Å; D85-S87 VanDerWaalsContact OD1-CB 3.27Å; D85-S87 WeakPolarHBondContact OD1-CB 3.46Å; D85-S87 PolarHBondContact OD1-N 2.93Å; D85-S87 PolarHBondContact OD1-OG 3.32Å; D85-S87 PolarHBondContact OD2-OG 2.81Å; S87-Y104 WeakPolarHBondContact CB-OH 3.34Å; S87-Y104 PolarHBondContact OG-OH 3.37Å; S87-T105 CarbonylContact C-O 3.56Å; S87-T105 WeakPolarHBondContact CA-O 3.35Å; S87-T105 WeakPolarHBondContact CB-O 3.25Å
88K98.8Very high98.5Very high48 Ų4846.1 Ų46.121%0.20925%0.248CC..EExtended strand (participates in β ladder)trans-144.3136.7-175.6-173.7-170.1-179-160.20110T80 F81 Y82 E90 Y104 T105T80-K88 HydrophobicContact CG2-CD 4.24Å; T80-K88 HydrophobicContact CG2-CG 3.92Å; F81-K88 CarbonylContact O-C 3.56Å; F81-K88 VanDerWaalsContact O-CA 3.32Å; F81-K88 WeakPolarHBondContact O-CA 3.44Å; Y82-K88 HydrophobicContact CD1-CD 4.29Å; Y82-K88 HydrophobicContact CD1-CG 4.12Å; Y82-K88 HydrophobicContact CE1-CD 3.92Å; Y82-K88 HydrophobicContact CE1-CG 4.17Å; K88-E90 HydrophobicContact CD-CG 4.17Å; K88-E90 WeakPolarHBondContact CD-OE1 3.21Å; K88-E90 VanDerWaalsContact CE-CG 3.48Å; K88-E90 WeakPolarHBondContact CE-OE1 3.19Å; K88-E90 WeakPolarHBondContact CE-OE2 3.32Å; K88-E90 HydrophobicContact CG-CG 4.3Å; K88-E90 IonicContact NZ-OE1 2.7Å; K88-E90 PolarHBondContact NZ-OE1 2.86Å; K88-E90 IonicContact NZ-OE2 2.82Å; K88-E90 PolarHBondContact NZ-OE2 3.4Å; K88-Y104 CarbonylContact O-C 3.17Å; K88-Y104 VanDerWaalsContact O-CA 3.32Å; K88-Y104 WeakPolarHBondContact O-CA 3.31Å; K88-T105 PolarHBondContact N-O 3.37Å; K88-T105 PolarHBondContact O-N 3.31Å
89Y98.9Very high98.5Very high0 Ų043.8 Ų43.80%024%0.237CC..EExtended strand (participates in β ladder)trans-115.7134.1166.7176-98.6000110.3T80 F81 T92 W93 R98 V103 Y104 W116T80-Y89 CarbonylContact C-O 3.57Å; T80-Y89 WeakPolarHBondContact CA-O 3.27Å; F81-Y89 PolarHBondContact N-O 2.89Å; F81-Y89 PolarHBondContact O-N 2.82Å; Y89-T92 PolarHBondContact OH-N 2.91Å; Y89-T92 PolarHBondContact OH-O 2.79Å; Y89-T92 VanDerWaalsContact OH-O 3.06Å; Y89-W93 AromaticContact CD1-CE2 3.61Å; Y89-W93 HydrophobicContact CD1-CH2 4.29Å; Y89-W93 AromaticContact CD1-CZ2 3.36Å; Y89-W93 HydrophobicContact CD1-CZ2 3.36Å; Y89-W93 AromaticContact CD1-NE1 3.64Å; Y89-W93 HydrophobicContact CE1-CD2 4.42Å; Y89-W93 AromaticContact CE1-CE2 3.63Å; Y89-W93 AromaticContact CE1-CZ2 3.84Å; Y89-W93 HydrophobicContact CE1-CZ2 3.84Å; Y89-W93 AromaticContact CE1-NE1 3.46Å; Y89-W93 HydrophobicContact CG-CZ2 4.35Å; Y89-R98 HydrophobicContact CD1-CG 3.84Å; Y89-R98 VanDerWaalsContact CD2-CD 3.45Å; Y89-R98 HydrophobicContact CD2-CG 4.31Å; Y89-R98 HydrophobicContact CE1-CB 4.07Å; Y89-R98 HydrophobicContact CE1-CG 3.63Å; Y89-R98 HydrophobicContact CE2-CB 4.23Å; Y89-R98 HydrophobicContact CE2-CG 4.15Å; Y89-R98 VanDerWaalsContact CG-CD 3.43Å; Y89-R98 HydrophobicContact CG-CG 4.13Å; Y89-V103 CarbonylContact C-O 3.59Å; Y89-V103 WeakPolarHBondContact CA-O 3.1Å; Y89-Y104 HydrophobicContact CD2-CD2 4.1Å; Y89-Y104 HydrophobicContact CG-CD2 4.47Å; Y89-W116 HydrophobicContact CD2-CZ2 4.19Å; Y89-W116 AromaticContact CE2-CD1 3.91Å; Y89-W116 AromaticContact CE2-CD2 3.97Å; Y89-W116 HydrophobicContact CE2-CD2 3.97Å; Y89-W116 AromaticContact CE2-CE2 3.64Å; Y89-W116 HydrophobicContact CE2-CG 4.14Å; Y89-W116 HydrophobicContact CE2-CZ2 4.11Å; Y89-W116 AromaticContact CE2-NE1 3.6Å
90E98.9Very high98.5Very high75 Ų7545 Ų4535%0.3525%0.249SC..EExtended strand (participates in β ladder)trans-128113.9174.6-69.8175.6-9400108.7T80 K88 G102 V103T80-E90 HydrophobicContact CG2-CG 3.65Å; K88-E90 HydrophobicContact CD-CG 4.17Å; K88-E90 WeakPolarHBondContact CD-OE1 3.21Å; K88-E90 VanDerWaalsContact CE-CG 3.48Å; K88-E90 WeakPolarHBondContact CE-OE1 3.19Å; K88-E90 WeakPolarHBondContact CE-OE2 3.32Å; K88-E90 HydrophobicContact CG-CG 4.3Å; K88-E90 IonicContact NZ-OE1 2.7Å; K88-E90 PolarHBondContact NZ-OE1 2.86Å; K88-E90 IonicContact NZ-OE2 2.82Å; K88-E90 PolarHBondContact NZ-OE2 3.4Å; E90-G102 CarbonylContact O-C 3.47Å; E90-G102 WeakPolarHBondContact O-CA 3.43Å; E90-V103 PolarHBondContact N-O 3.27Å; E90-V103 PolarHBondContact O-N 2.87Å
91G98.7Very high98.5Very high7 Ų749.8 Ų49.87%0.07227%0.265CS..EExtended strand (participates in β ladder)trans167.7-159.6178.400000113.5G79 W93 Y101G79-G91 PolarHBondContact N-O 3.48Å; G79-G91 PolarHBondContact O-N 2.93Å; G79-G91 VanDerWaalsContact O-N 3.09Å; G91-W93 PolarHBondContact O-NE1 2.95Å; G91-Y101 WeakPolarHBondContact CA-O 3.32Å
92T98.7Very high98.5Very high37 Ų3749.1 Ų49.123%0.22726%0.263CS..EExtended strand (participates in β ladder)trans-80.4138.9-176.1-550000112G77 Q78 Y89 E99 Y101G77-T92 CarbonylContact O-C 3.54Å; G77-T92 WeakPolarHBondContact O-CA 3.28Å; Q78-T92 PolarHBondContact NE2-OG1 3.09Å; Y89-T92 PolarHBondContact OH-N 2.91Å; Y89-T92 PolarHBondContact OH-O 2.79Å; Y89-T92 VanDerWaalsContact OH-O 3.06Å; T92-E99 CarbonylContact C-O 3.47Å; T92-E99 WeakPolarHBondContact CB-O 3.19Å; T92-E99 VanDerWaalsContact CG2-O 3.23Å; T92-E99 WeakPolarHBondContact CG2-O 3.16Å; T92-E99 PolarHBondContact O-N 3.16Å; T92-E99 VanDerWaalsContact O-O 3.09Å; T92-Y101 PolarHBondContact N-O 3.31Å
93W98.8Very high98.5Very high3 Ų347.7 Ų47.71%0.01126%0.261CS..EExtended strand (participates in β ladder)trans-120.6140.3175.9-63.578000110.1Y66 K75 H76 G77 G79 F81 Y89 G91 D96 Q97 R98Y66-W93 HydrophobicContact CD2-CZ2 4.28Å; Y66-W93 AromaticContact CE2-CD1 4Å; Y66-W93 HydrophobicContact CE2-CD2 4.03Å; Y66-W93 AromaticContact CE2-CE2 3.66Å; Y66-W93 HydrophobicContact CE2-CG 4.23Å; Y66-W93 HydrophobicContact CE2-CZ2 4.07Å; Y66-W93 AromaticContact CE2-NE1 3.65Å; K75-W93 HydrophobicContact CB-CB 4.15Å; K75-W93 HydrophobicContact CB-CD2 4.2Å; K75-W93 HydrophobicContact CB-CE3 4.06Å; K75-W93 HydrophobicContact CB-CG 4.25Å; K75-W93 HydrophobicContact CD-CD2 4.28Å; K75-W93 HydrophobicContact CD-CE3 3.75Å; K75-W93 HydrophobicContact CD-CH2 4.3Å; K75-W93 HydrophobicContact CD-CZ3 3.76Å; H76-W93 CarbonylContact C-O 3.28Å; H76-W93 VanDerWaalsContact CA-O 3.32Å; H76-W93 WeakPolarHBondContact CA-O 3.42Å; G77-W93 PolarHBondContact N-O 3.04Å; G77-W93 PolarHBondContact O-N 2.88Å; G79-W93 PolarHBondContact O-NE1 3.1Å; F81-W93 HydrophobicContact CB-CH2 3.88Å; F81-W93 HydrophobicContact CB-CZ2 3.56Å; F81-W93 HydrophobicContact CD2-CH2 4.11Å; F81-W93 HydrophobicContact CD2-CZ2 4.45Å; F81-W93 HydrophobicContact CG-CH2 4.23Å; F81-W93 HydrophobicContact CG-CZ2 4.37Å; Y89-W93 AromaticContact CD1-CE2 3.61Å; Y89-W93 HydrophobicContact CD1-CH2 4.29Å; Y89-W93 AromaticContact CD1-CZ2 3.36Å; Y89-W93 HydrophobicContact CD1-CZ2 3.36Å; Y89-W93 AromaticContact CD1-NE1 3.64Å; Y89-W93 HydrophobicContact CE1-CD2 4.42Å; Y89-W93 AromaticContact CE1-CE2 3.63Å; Y89-W93 AromaticContact CE1-CZ2 3.84Å; Y89-W93 HydrophobicContact CE1-CZ2 3.84Å; Y89-W93 AromaticContact CE1-NE1 3.46Å; Y89-W93 HydrophobicContact CG-CZ2 4.35Å; G91-W93 PolarHBondContact O-NE1 2.95Å; W93-D96 WeakPolarHBondContact CZ3-O 3.46Å; W93-Q97 CarbonylContact C-O 3.59Å; W93-Q97 WeakPolarHBondContact CA-O 3.42Å; W93-R98 HydrophobicContact CE3-CG 4.22Å; W93-R98 HydrophobicContact CH2-CG 3.75Å; W93-R98 HydrophobicContact CZ2-CG 4.05Å; W93-R98 HydrophobicContact CZ3-CG 3.83Å
94V98.6Very high98.5Very high46 Ų4646.6 Ų46.628%0.27926%0.257SS..EExtended strand (participates in β ladder)trans-135.2115.4173.6-179.30000107.3D96 Q97 E99V94-D96 PolarHBondContact O-N 2.85Å; V94-Q97 PolarHBondContact N-O 2.76Å; V94-Q97 WeakPolarHBondContact O-CA 3.3Å; V94-Q97 VanDerWaalsContact O-CB 3.32Å; V94-Q97 WeakPolarHBondContact O-CB 3.29Å; V94-Q97 PolarHBondContact O-N 3.47Å; V94-E99 HydrophobicContact CB-CB 4.09Å; V94-E99 HydrophobicContact CG2-CB 4Å; V94-E99 HydrophobicContact CG2-CG 4.37Å
95E97.8Very high98.5Very high72 Ų7244.9 Ų44.934%0.33625%0.245SC..THydrogen-bonded Turntrans51.951.3175.3-57.3-62.1105.800113.8K74 K75 H76 Q97K74-E95 HydrophobicContact CD-CB 4.11Å; K74-E95 WeakPolarHBondContact CD-OE2 3.5Å; K74-E95 WeakPolarHBondContact CE-OE2 3.47Å; K74-E95 IonicContact NZ-OE2 3.73Å; K74-E95 PolarHBondContact NZ-OE2 3.04Å; K75-E95 PolarHBondContact O-N 2.79Å; H76-E95 IonicContact CE1-OE1 2.71Å; H76-E95 IonicContact ND1-OE1 2.82Å; H76-E95 PolarHBondContact ND1-OE1 2.75Å; E95-Q97 PolarHBondContact O-N 3.49Å
96D98.3Very high98.6Very high60 Ų6042.8 Ų42.832%0.32123%0.231SC..THydrogen-bonded Turntrans68.9-1.4-173.8-71.9-46000116.4K74 K75 W93 V94 H119K74-D96 WeakPolarHBondContact CG-OD2 3.5Å; K75-D96 VanDerWaalsContact CG-OD1 3.28Å; K75-D96 WeakPolarHBondContact CG-OD1 3.48Å; K75-D96 PolarHBondContact N-OD1 3.28Å; K75-D96 PolarHBondContact O-N 2.83Å; W93-D96 WeakPolarHBondContact CZ3-O 3.46Å; V94-D96 PolarHBondContact O-N 2.85Å; D96-H119 PolarHBondContact O-CE1 2.93Å
97Q98.4Very high98.6Very high64 Ų6443.7 Ų43.730%0.29923%0.225SC..EExtended strand (participates in β ladder)trans-97.8143.9179.7-51.5-1718.100112.2W93 V94 E95 E99 H119W93-Q97 CarbonylContact C-O 3.59Å; W93-Q97 WeakPolarHBondContact CA-O 3.42Å; V94-Q97 PolarHBondContact N-O 2.76Å; V94-Q97 WeakPolarHBondContact O-CA 3.3Å; V94-Q97 VanDerWaalsContact O-CB 3.32Å; V94-Q97 WeakPolarHBondContact O-CB 3.29Å; V94-Q97 PolarHBondContact O-N 3.47Å; E95-Q97 PolarHBondContact O-N 3.49Å; Q97-E99 PolarHBondContact O-N 2.85Å; Q97-H119 VanDerWaalsContact CA-CE1 3.45Å; Q97-H119 WeakPolarHBondContact CA-CE1 3.44Å
98R98.4Very high98.6Very high37 Ų3747.3 Ų47.314%0.1425%0.245CC..EExtended strand (participates in β ladder)trans-74.6117.8166.1-59.5-178.9-64.6-102.8-0.4107.1Y83 Y89 W93 W116 H119Y83-R98 PolarHBondContact OH-NH1 3.01Å; Y89-R98 HydrophobicContact CD1-CG 3.84Å; Y89-R98 VanDerWaalsContact CD2-CD 3.45Å; Y89-R98 HydrophobicContact CD2-CG 4.31Å; Y89-R98 HydrophobicContact CE1-CB 4.07Å; Y89-R98 HydrophobicContact CE1-CG 3.63Å; Y89-R98 HydrophobicContact CE2-CB 4.23Å; Y89-R98 HydrophobicContact CE2-CG 4.15Å; Y89-R98 VanDerWaalsContact CG-CD 3.43Å; Y89-R98 HydrophobicContact CG-CG 4.13Å; W93-R98 HydrophobicContact CE3-CG 4.22Å; W93-R98 HydrophobicContact CH2-CG 3.75Å; W93-R98 HydrophobicContact CZ2-CG 4.05Å; W93-R98 HydrophobicContact CZ3-CG 3.83Å; R98-W116 HydrophobicContact CB-CB 4.41Å; R98-W116 HydrophobicContact CB-CE3 4.37Å; R98-H119 PolarHBondContact N-ND1 2.79Å; R98-H119 PolarHBondContact NH2-O 2.84Å; R98-H119 PolarHBondContact O-N 3.39Å
99E98.5Very high98.6Very high62 Ų6245.7 Ų45.729%0.2924%0.242SC..EExtended strand (participates in β ladder)trans-153.9138.1-175.1-172.3165.4140.800110T92 V94 Q97 W116 L117T92-E99 CarbonylContact C-O 3.47Å; T92-E99 WeakPolarHBondContact CB-O 3.19Å; T92-E99 VanDerWaalsContact CG2-O 3.23Å; T92-E99 WeakPolarHBondContact CG2-O 3.16Å; T92-E99 PolarHBondContact O-N 3.16Å; T92-E99 VanDerWaalsContact O-O 3.09Å; V94-E99 HydrophobicContact CB-CB 4.09Å; V94-E99 HydrophobicContact CG2-CB 4Å; V94-E99 HydrophobicContact CG2-CG 4.37Å; Q97-E99 PolarHBondContact O-N 2.85Å; E99-W116 CarbonylContact C-O 3.55Å; E99-W116 WeakPolarHBondContact CA-O 3.24Å; E99-L117 HydrophobicContact CG-CD1 4.25Å
100G98.4Very high98.5Very high31 Ų3146.1 Ų46.132%0.3224%0.244SC..EExtended strand (participates in β ladder)trans88.8-152.1-169.500000111.9E115 W116G100-E115 CarbonylContact O-C 3.45Å; G100-E115 WeakPolarHBondContact O-CA 3.38Å; G100-W116 PolarHBondContact N-O 3.06Å; G100-W116 WeakPolarHBondContact O-CB 3.18Å; G100-W116 PolarHBondContact O-N 2.85Å
101Y98.8Very high98.5Very high127 Ų12744.3 Ų44.350%0.49824%0.238SC..EExtended strand (participates in β ladder)trans-83.5142-175.5-158.8-90.6000112.5G91 T92 D113 E115G91-Y101 WeakPolarHBondContact CA-O 3.32Å; T92-Y101 PolarHBondContact N-O 3.31Å; Y101-D113 WeakPolarHBondContact CE1-OD1 3.34Å; Y101-D113 VanDerWaalsContact OH-CG 3.27Å; Y101-D113 PolarHBondContact OH-OD1 3.06Å; Y101-E115 HydrophobicContact CD2-CG 4.37Å
102G98.8Very high98.6Very high2 Ų244 Ų442%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-173.3160.317300000115.1E90 G114 W116E90-G102 CarbonylContact O-C 3.47Å; E90-G102 WeakPolarHBondContact O-CA 3.43Å; G102-G114 PolarHBondContact N-O 2.87Å; G102-G114 PolarHBondContact O-N 3.12Å; G102-G114 VanDerWaalsContact O-O 3.11Å; G102-W116 PolarHBondContact O-NE1 3.19Å
103V98.9Very high98.6Very high43 Ų4345 Ų4526%0.26124%0.239SC..EExtended strand (participates in β ladder)trans-105.9127177.5-174.40000109.7Y89 E90 Y112 D113Y89-V103 CarbonylContact C-O 3.59Å; Y89-V103 WeakPolarHBondContact CA-O 3.1Å; E90-V103 PolarHBondContact N-O 3.27Å; E90-V103 PolarHBondContact O-N 2.87Å; V103-Y112 CarbonylContact C-O 3.52Å; V103-Y112 VanDerWaalsContact CA-O 3.24Å; V103-Y112 WeakPolarHBondContact CA-O 3.44Å; V103-D113 HydrophobicContact CG2-CB 4.23Å
104Y98.9Very high98.6Very high28 Ų2844.9 Ų44.911%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-112.6122.3170.7-166.4-76000109.9Y83 S87 K88 Y89 Y106 T111 Y112 W116Y83-Y104 HydrophobicContact CD2-CE2 4.41Å; Y83-Y104 AromaticContact CE2-CE2 3.78Å; Y83-Y104 HydrophobicContact CE2-CE2 3.78Å; S87-Y104 WeakPolarHBondContact CB-OH 3.34Å; S87-Y104 PolarHBondContact OG-OH 3.37Å; K88-Y104 CarbonylContact O-C 3.17Å; K88-Y104 VanDerWaalsContact O-CA 3.32Å; K88-Y104 WeakPolarHBondContact O-CA 3.31Å; Y89-Y104 HydrophobicContact CD2-CD2 4.1Å; Y89-Y104 HydrophobicContact CG-CD2 4.47Å; Y104-Y106 AromaticContact CD1-CD1 3.78Å; Y104-Y106 HydrophobicContact CD1-CD1 3.78Å; Y104-Y106 AromaticContact CD1-CD2 3.8Å; Y104-Y106 HydrophobicContact CD1-CD2 3.8Å; Y104-Y106 AromaticContact CD1-CE1 3.73Å; Y104-Y106 HydrophobicContact CD1-CE1 3.73Å; Y104-Y106 AromaticContact CD1-CE2 3.75Å; Y104-Y106 HydrophobicContact CD1-CE2 3.75Å; Y104-Y106 AromaticContact CD1-CG 3.81Å; Y104-Y106 HydrophobicContact CD1-CG 3.81Å; Y104-Y106 AromaticContact CD1-CZ 3.73Å; Y104-Y106 AromaticContact CE1-CD1 3.5Å; Y104-Y106 HydrophobicContact CE1-CD1 3.5Å; Y104-Y106 VanDerWaalsContact CE1-CD1 3.5Å; Y104-Y106 HydrophobicContact CE1-CD2 4.33Å; Y104-Y106 AromaticContact CE1-CE1 3.67Å; Y104-Y106 HydrophobicContact CE1-CE1 3.67Å; Y104-Y106 HydrophobicContact CE1-CE2 4.47Å; Y104-Y106 AromaticContact CE1-CG 3.86Å; Y104-Y106 HydrophobicContact CE1-CG 3.86Å; Y104-T111 CarbonylContact O-C 3.58Å; Y104-T111 VanDerWaalsContact O-CA 3.27Å; Y104-T111 WeakPolarHBondContact O-CA 3.32Å; Y104-Y112 PolarHBondContact N-O 3.32Å; Y104-Y112 PolarHBondContact O-N 3.24Å; Y104-W116 VanDerWaalsContact CB-CZ2 3.44Å; Y104-W116 AromaticContact CD2-CH2 3.89Å; Y104-W116 HydrophobicContact CD2-CH2 3.89Å; Y104-W116 HydrophobicContact CD2-CZ2 4.32Å; Y104-W116 HydrophobicContact CG-CH2 4.01Å; Y104-W116 HydrophobicContact CG-CZ2 4.24Å
105T98.8Very high98.6Very high45 Ų4546.7 Ų46.728%0.27624%0.244SC..EExtended strand (participates in β ladder)trans-100.2120170.8-54.40000108.6S87 K88 T111S87-T105 CarbonylContact C-O 3.56Å; S87-T105 WeakPolarHBondContact CA-O 3.35Å; S87-T105 WeakPolarHBondContact CB-O 3.25Å; K88-T105 PolarHBondContact N-O 3.37Å; K88-T105 PolarHBondContact O-N 3.31Å; T105-T111 HydrophobicContact CG2-CG2 4.31Å
106Y98.6Very high98.6Very high50 Ų5043.9 Ų43.920%0.19623%0.23CC..  trans-81.2163.5-180-66.7-89.9000111.4Y104 N108 G109 D110 R121 Y127Y104-Y106 AromaticContact CD1-CD1 3.78Å; Y104-Y106 HydrophobicContact CD1-CD1 3.78Å; Y104-Y106 AromaticContact CD1-CD2 3.8Å; Y104-Y106 HydrophobicContact CD1-CD2 3.8Å; Y104-Y106 AromaticContact CD1-CE1 3.73Å; Y104-Y106 HydrophobicContact CD1-CE1 3.73Å; Y104-Y106 AromaticContact CD1-CE2 3.75Å; Y104-Y106 HydrophobicContact CD1-CE2 3.75Å; Y104-Y106 AromaticContact CD1-CG 3.81Å; Y104-Y106 HydrophobicContact CD1-CG 3.81Å; Y104-Y106 AromaticContact CD1-CZ 3.73Å; Y104-Y106 AromaticContact CE1-CD1 3.5Å; Y104-Y106 HydrophobicContact CE1-CD1 3.5Å; Y104-Y106 VanDerWaalsContact CE1-CD1 3.5Å; Y104-Y106 HydrophobicContact CE1-CD2 4.33Å; Y104-Y106 AromaticContact CE1-CE1 3.67Å; Y104-Y106 HydrophobicContact CE1-CE1 3.67Å; Y104-Y106 HydrophobicContact CE1-CE2 4.47Å; Y104-Y106 AromaticContact CE1-CG 3.86Å; Y104-Y106 HydrophobicContact CE1-CG 3.86Å; Y106-N108 VanDerWaalsContact C-N 3.27Å; Y106-N108 WeakPolarHBondContact CB-OD1 3.27Å; Y106-N108 PolarHBondContact O-N 2.84Å; Y106-G109 VanDerWaalsContact O-CA 3.31Å; Y106-G109 WeakPolarHBondContact O-CA 3.38Å; Y106-G109 PolarHBondContact O-N 3.18Å; Y106-D110 HydrophobicContact CD2-CB 3.89Å; Y106-D110 WeakPolarHBondContact CD2-O 3.2Å; Y106-D110 HydrophobicContact CG-CB 4.35Å; Y106-D110 PolarHBondContact N-O 2.97Å; Y106-R121 PolarHBondContact OH-NH1 2.65Å; Y106-Y127 HydrophobicContact CD2-CE2 4.15Å; Y106-Y127 HydrophobicContact CE2-CD2 4.27Å; Y106-Y127 AromaticContact CE2-CE2 3.49Å; Y106-Y127 HydrophobicContact CE2-CE2 3.49Å; Y106-Y127 VanDerWaalsContact CE2-CE2 3.49Å; Y106-Y127 AromaticContact CZ-CE2 3.93Å
107P98.4Very high98.6Very high78 Ų7843.9 Ų43.951%0.50623%0.23SC..THydrogen-bonded Turntrans-62.8-32.1-180-24.136.7000113.6D85 G109D85-P107 HydrophobicContact CB-CG 4.18Å; D85-P107 WeakPolarHBondContact OD2-CG 3.29Å; P107-G109 PolarHBondContact O-N 2.83Å
108N98Very high98.6Very high78 Ų7846.4 Ų46.442%0.41724%0.241SC..THydrogen-bonded Turntrans-72.3-7.1172.367.2-10.7000112.6Y106 D110Y106-N108 VanDerWaalsContact C-N 3.27Å; Y106-N108 WeakPolarHBondContact CB-OD1 3.27Å; Y106-N108 PolarHBondContact O-N 2.84Å; N108-D110 VanDerWaalsContact C-N 3.34Å; N108-D110 PolarHBondContact ND2-OD2 3.46Å; N108-D110 VanDerWaalsContact OD1-CB 3.31Å; N108-D110 WeakPolarHBondContact OD1-CB 3.29Å; N108-D110 PolarHBondContact OD1-N 3.33Å
109G98.3Very high98.5Very high14 Ų1448.2 Ų48.214%0.14425%0.252CS..SBendtrans83.94.6-178.700000114.5Y106 P107 K130Y106-G109 VanDerWaalsContact O-CA 3.31Å; Y106-G109 WeakPolarHBondContact O-CA 3.38Å; Y106-G109 PolarHBondContact O-N 3.18Å; P107-G109 PolarHBondContact O-N 2.83Å; G109-K130 WeakPolarHBondContact O-CB 3.23Å; G109-K130 WeakPolarHBondContact O-CD 3.32Å
110D98.8Very high98.5Very high10 Ų1048.7 Ų48.75%0.05326%0.255CS..  trans-56.3154.8163.9-69.2-8.6000109.6Y106 N108 Y127 L128 Y129 K130Y106-D110 HydrophobicContact CD2-CB 3.89Å; Y106-D110 WeakPolarHBondContact CD2-O 3.2Å; Y106-D110 HydrophobicContact CG-CB 4.35Å; Y106-D110 PolarHBondContact N-O 2.97Å; N108-D110 VanDerWaalsContact C-N 3.34Å; N108-D110 PolarHBondContact ND2-OD2 3.46Å; N108-D110 VanDerWaalsContact OD1-CB 3.31Å; N108-D110 WeakPolarHBondContact OD1-CB 3.29Å; N108-D110 PolarHBondContact OD1-N 3.33Å; D110-Y127 HydrophobicContact CB-CE1 3.9Å; D110-Y127 VanDerWaalsContact CB-OH 3.29Å; D110-Y127 WeakPolarHBondContact CB-OH 3.31Å; D110-Y127 WeakPolarHBondContact OD2-CE1 3.38Å; D110-Y127 PolarHBondContact OD2-OH 2.87Å; D110-L128 VanDerWaalsContact CA-O 3.25Å; D110-L128 WeakPolarHBondContact CA-O 3.33Å; D110-L128 WeakPolarHBondContact CB-O 3.44Å; D110-Y129 WeakPolarHBondContact OD1-CA 3.48Å; D110-K130 PolarHBondContact OD1-N 2.8Å
111T98.8Very high98.5Very high36 Ų3649.5 Ų49.522%0.22125%0.248CC..EExtended strand (participates in β ladder)trans-131.8138.917764.20000111.5Y104 T105 Y127 L128Y104-T111 CarbonylContact O-C 3.58Å; Y104-T111 VanDerWaalsContact O-CA 3.27Å; Y104-T111 WeakPolarHBondContact O-CA 3.32Å; T105-T111 HydrophobicContact CG2-CG2 4.31Å; T111-Y127 CarbonylContact O-C 3.54Å; T111-Y127 VanDerWaalsContact O-CA 3.29Å; T111-Y127 WeakPolarHBondContact O-CA 3.45Å; T111-L128 PolarHBondContact N-O 2.97Å; T111-L128 PolarHBondContact O-N 3.22Å; T111-L128 WeakPolarHBondContact OG1-CB 3.33Å
112Y98.8Very high98.5Very high0 Ų046.1 Ų46.10%024%0.237CC..EExtended strand (participates in β ladder)trans-110.4125.3162.3176.5-95.7000109.4V103 Y104 E115 W116 R121 H122 T126 Y127 W140V103-Y112 CarbonylContact C-O 3.52Å; V103-Y112 VanDerWaalsContact CA-O 3.24Å; V103-Y112 WeakPolarHBondContact CA-O 3.44Å; Y104-Y112 PolarHBondContact N-O 3.32Å; Y104-Y112 PolarHBondContact O-N 3.24Å; Y112-E115 PolarHBondContact OH-N 2.81Å; Y112-E115 PolarHBondContact OH-O 2.65Å; Y112-W116 AromaticContact CD1-CE2 3.59Å; Y112-W116 HydrophobicContact CD1-CH2 4.26Å; Y112-W116 AromaticContact CD1-CZ2 3.35Å; Y112-W116 HydrophobicContact CD1-CZ2 3.35Å; Y112-W116 AromaticContact CD1-NE1 3.63Å; Y112-W116 HydrophobicContact CE1-CD2 4.4Å; Y112-W116 AromaticContact CE1-CE2 3.65Å; Y112-W116 AromaticContact CE1-CZ2 3.87Å; Y112-W116 HydrophobicContact CE1-CZ2 3.87Å; Y112-W116 AromaticContact CE1-NE1 3.49Å; Y112-W116 HydrophobicContact CG-CZ2 4.29Å; Y112-R121 HydrophobicContact CD1-CG 3.8Å; Y112-R121 HydrophobicContact CD2-CB 4.48Å; Y112-R121 HydrophobicContact CD2-CG 3.93Å; Y112-R121 HydrophobicContact CE1-CB 3.99Å; Y112-R121 HydrophobicContact CE1-CG 3.67Å; Y112-R121 HydrophobicContact CE2-CB 3.9Å; Y112-R121 HydrophobicContact CE2-CG 3.83Å; Y112-R121 HydrophobicContact CG-CG 3.88Å; Y112-H122 PolarHBondContact OH-O 2.55Å; Y112-T126 CarbonylContact C-O 3.54Å; Y112-T126 WeakPolarHBondContact CA-O 3.41Å; Y112-Y127 HydrophobicContact CD2-CD2 4.43Å; Y112-W140 HydrophobicContact CD2-CZ2 4.12Å; Y112-W140 AromaticContact CE2-CD1 3.84Å; Y112-W140 AromaticContact CE2-CD2 3.79Å; Y112-W140 HydrophobicContact CE2-CD2 3.79Å; Y112-W140 AromaticContact CE2-CE2 3.56Å; Y112-W140 HydrophobicContact CE2-CE3 4.47Å; Y112-W140 AromaticContact CE2-CG 3.96Å; Y112-W140 HydrophobicContact CE2-CG 3.96Å; Y112-W140 HydrophobicContact CE2-CZ2 4.02Å; Y112-W140 AromaticContact CE2-NE1 3.6Å
113D98.8Very high98.5Very high60 Ų6046.6 Ų46.632%0.32124%0.242SC..EExtended strand (participates in β ladder)trans-123106.1177.2-178.27.5000108.1Y101 V103 G125 T126Y101-D113 WeakPolarHBondContact CE1-OD1 3.34Å; Y101-D113 VanDerWaalsContact OH-CG 3.27Å; Y101-D113 PolarHBondContact OH-OD1 3.06Å; V103-D113 HydrophobicContact CG2-CB 4.23Å; D113-G125 CarbonylContact O-C 3.57Å; D113-G125 WeakPolarHBondContact O-CA 3.32Å; D113-T126 PolarHBondContact N-O 3.15Å; D113-T126 PolarHBondContact O-N 3.26Å
114G98.7Very high98.5Very high0 Ų049.2 Ų49.20%025%0.251CS..EExtended strand (participates in β ladder)trans173.3-164.7-171.500000115.1G102 W116 Q124G102-G114 PolarHBondContact N-O 2.87Å; G102-G114 PolarHBondContact O-N 3.12Å; G102-G114 VanDerWaalsContact O-O 3.11Å; G114-W116 VanDerWaalsContact O-CD1 3.22Å; G114-W116 PolarHBondContact O-NE1 2.84Å; G114-Q124 WeakPolarHBondContact CA-O 3Å
115E98.8Very high98.5Very high84 Ų8448.2 Ų48.239%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-82.1148.1-178.8-60.6172.5-108.200112.8G100 Y101 Y112 H122 Q124G100-E115 CarbonylContact O-C 3.45Å; G100-E115 WeakPolarHBondContact O-CA 3.38Å; Y101-E115 HydrophobicContact CD2-CG 4.37Å; Y112-E115 PolarHBondContact OH-N 2.81Å; Y112-E115 PolarHBondContact OH-O 2.65Å; E115-H122 CarbonylContact C-O 3.5Å; E115-H122 VanDerWaalsContact CB-O 3.3Å; E115-H122 WeakPolarHBondContact CB-O 3.38Å; E115-H122 PolarHBondContact O-N 2.86Å; E115-Q124 PolarHBondContact N-O 2.75Å; E115-Q124 PolarHBondContact OE1-N 2.81Å
116W98.8Very high98.4Very high13 Ų1348.2 Ų48.25%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-129142.5-179.1-64.878.1000109.5Y89 R98 E99 G100 G102 Y104 Y112 G114 H119 M120 R121Y89-W116 HydrophobicContact CD2-CZ2 4.19Å; Y89-W116 AromaticContact CE2-CD1 3.91Å; Y89-W116 AromaticContact CE2-CD2 3.97Å; Y89-W116 HydrophobicContact CE2-CD2 3.97Å; Y89-W116 AromaticContact CE2-CE2 3.64Å; Y89-W116 HydrophobicContact CE2-CG 4.14Å; Y89-W116 HydrophobicContact CE2-CZ2 4.11Å; Y89-W116 AromaticContact CE2-NE1 3.6Å; R98-W116 HydrophobicContact CB-CB 4.41Å; R98-W116 HydrophobicContact CB-CE3 4.37Å; E99-W116 CarbonylContact C-O 3.55Å; E99-W116 WeakPolarHBondContact CA-O 3.24Å; G100-W116 PolarHBondContact N-O 3.06Å; G100-W116 WeakPolarHBondContact O-CB 3.18Å; G100-W116 PolarHBondContact O-N 2.85Å; G102-W116 PolarHBondContact O-NE1 3.19Å; Y104-W116 VanDerWaalsContact CB-CZ2 3.44Å; Y104-W116 AromaticContact CD2-CH2 3.89Å; Y104-W116 HydrophobicContact CD2-CH2 3.89Å; Y104-W116 HydrophobicContact CD2-CZ2 4.32Å; Y104-W116 HydrophobicContact CG-CH2 4.01Å; Y104-W116 HydrophobicContact CG-CZ2 4.24Å; Y112-W116 AromaticContact CD1-CE2 3.59Å; Y112-W116 HydrophobicContact CD1-CH2 4.26Å; Y112-W116 AromaticContact CD1-CZ2 3.35Å; Y112-W116 HydrophobicContact CD1-CZ2 3.35Å; Y112-W116 AromaticContact CD1-NE1 3.63Å; Y112-W116 HydrophobicContact CE1-CD2 4.4Å; Y112-W116 AromaticContact CE1-CE2 3.65Å; Y112-W116 AromaticContact CE1-CZ2 3.87Å; Y112-W116 HydrophobicContact CE1-CZ2 3.87Å; Y112-W116 AromaticContact CE1-NE1 3.49Å; Y112-W116 HydrophobicContact CG-CZ2 4.29Å; G114-W116 VanDerWaalsContact O-CD1 3.22Å; G114-W116 PolarHBondContact O-NE1 2.84Å; W116-H119 WeakPolarHBondContact CZ3-O 3.27Å; W116-M120 CarbonylContact C-O 3.49Å; W116-M120 VanDerWaalsContact CA-O 3.29Å; W116-M120 WeakPolarHBondContact CA-O 3.07Å; W116-R121 HydrophobicContact CH2-CG 4.03Å; W116-R121 HydrophobicContact CZ2-CG 4.33Å; W116-R121 HydrophobicContact CZ3-CG 4.16Å
117L98.5Very high98.5Very high60 Ų6046.9 Ų46.931%0.31424%0.244SC..EExtended strand (participates in β ladder)trans-140.4122.8172.3-177.562.9000108.1E99 H119 M120 H122E99-L117 HydrophobicContact CG-CD1 4.25Å; L117-H119 VanDerWaalsContact C-N 3.32Å; L117-H119 PolarHBondContact O-N 3.23Å; L117-M120 PolarHBondContact N-O 2.87Å; L117-M120 WeakPolarHBondContact O-CB 3.43Å; L117-M120 PolarHBondContact O-N 3.47Å; L117-H122 HydrophobicContact CB-CB 3.71Å
118Q97.4Very high98.5Very high116 Ų11646.3 Ų46.354%0.54224%0.236SC..THydrogen-bonded Turntrans48.651.2177.6-56.6-177.7-37.900113M120Q118-M120 PolarHBondContact O-N 2.93Å; Q118-M120 VanDerWaalsContact O-N 3.15Å
119H97.6Very high98.5Very high76 Ų7645.7 Ų45.735%0.35223%0.228SC..THydrogen-bonded Turntrans69.6-5.3-176.7-55.6-75.6000117.2D96 Q97 R98 W116 L117D96-H119 PolarHBondContact O-CE1 2.93Å; Q97-H119 VanDerWaalsContact CA-CE1 3.45Å; Q97-H119 WeakPolarHBondContact CA-CE1 3.44Å; R98-H119 PolarHBondContact N-ND1 2.79Å; R98-H119 PolarHBondContact NH2-O 2.84Å; R98-H119 PolarHBondContact O-N 3.39Å; W116-H119 WeakPolarHBondContact CZ3-O 3.27Å; L117-H119 VanDerWaalsContact C-N 3.32Å; L117-H119 PolarHBondContact O-N 3.23Å
120M98.1Very high98.5Very high72 Ų7251.3 Ų51.336%0.35525%0.249SC..EExtended strand (participates in β ladder)trans-100.4147.3179.8-63.6-172.7-73.500111.5W116 L117 Q118 H122 N142W116-M120 CarbonylContact C-O 3.49Å; W116-M120 VanDerWaalsContact CA-O 3.29Å; W116-M120 WeakPolarHBondContact CA-O 3.07Å; L117-M120 PolarHBondContact N-O 2.87Å; L117-M120 WeakPolarHBondContact O-CB 3.43Å; L117-M120 PolarHBondContact O-N 3.47Å; Q118-M120 PolarHBondContact O-N 2.93Å; Q118-M120 VanDerWaalsContact O-N 3.15Å; M120-H122 PolarHBondContact O-N 3.07Å; M120-N142 HydrophobicContact CE-CB 4.28Å; M120-N142 WeakPolarHBondContact CE-OD1 3.47Å; M120-N142 HydrophobicContact SD-CB 4.05Å
121R98.4Very high98.4Very high48 Ų4857.5 Ų57.518%0.18128%0.282CS..EExtended strand (participates in β ladder)trans-60.1131.8166.7-58.9175.5-71-159.33.9108.7Y106 Y112 W116 Y127 W140 G143Y106-R121 PolarHBondContact OH-NH1 2.65Å; Y112-R121 HydrophobicContact CD1-CG 3.8Å; Y112-R121 HydrophobicContact CD2-CB 4.48Å; Y112-R121 HydrophobicContact CD2-CG 3.93Å; Y112-R121 HydrophobicContact CE1-CB 3.99Å; Y112-R121 HydrophobicContact CE1-CG 3.67Å; Y112-R121 HydrophobicContact CE2-CB 3.9Å; Y112-R121 HydrophobicContact CE2-CG 3.83Å; Y112-R121 HydrophobicContact CG-CG 3.88Å; W116-R121 HydrophobicContact CH2-CG 4.03Å; W116-R121 HydrophobicContact CZ2-CG 4.33Å; W116-R121 HydrophobicContact CZ3-CG 4.16Å; R121-Y127 VanDerWaalsContact NH1-CD2 3.29Å; R121-W140 HydrophobicContact CB-CB 4.3Å; R121-W140 HydrophobicContact CB-CD2 4.36Å; R121-W140 HydrophobicContact CB-CE3 4.13Å; R121-W140 HydrophobicContact CB-CG 4.45Å; R121-W140 VanDerWaalsContact CZ-CZ3 3.45Å; R121-G143 PolarHBondContact NE-O 2.71Å; R121-G143 PolarHBondContact NH2-O 2.85Å; R121-G143 PolarHBondContact O-N 2.93Å
122H98.4Very high98.3Very high55 Ų5559.4 Ų59.426%0.25529%0.294SS..EExtended strand (participates in β ladder)trans-147.2173.3-176.3-156.283.2000109.8Y112 E115 L117 M120 W140Y112-H122 PolarHBondContact OH-O 2.55Å; E115-H122 CarbonylContact C-O 3.5Å; E115-H122 VanDerWaalsContact CB-O 3.3Å; E115-H122 WeakPolarHBondContact CB-O 3.38Å; E115-H122 PolarHBondContact O-N 2.86Å; L117-H122 HydrophobicContact CB-CB 3.71Å; M120-H122 PolarHBondContact O-N 3.07Å; H122-W140 CarbonylContact C-O 3.49Å; H122-W140 VanDerWaalsContact C-O 3.28Å; H122-W140 VanDerWaalsContact CA-O 3.3Å; H122-W140 WeakPolarHBondContact CA-O 3.13Å
123G98.3Very high98.2Very high13 Ų1361.6 Ų61.613%0.13432%0.316CS..EExtended strand (participates in β ladder)trans58.6-140.9172.300000112.9T139 W140G123-T139 CarbonylContact O-C 3.49Å; G123-T139 WeakPolarHBondContact O-CA 3.3Å; G123-W140 PolarHBondContact N-O 2.85Å; G123-W140 PolarHBondContact O-N 2.89Å
124Q98.6Very high98.1Very high98 Ų9858.7 Ų58.746%0.45830%0.301SS..EExtended strand (participates in β ladder)trans-88.5141175.2-62.6-57.8-54.900111.5G114 E115 G138 T139G114-Q124 WeakPolarHBondContact CA-O 3Å; E115-Q124 PolarHBondContact N-O 2.75Å; E115-Q124 PolarHBondContact OE1-N 2.81Å; Q124-G138 PolarHBondContact OE1-O 2.89Å; Q124-T139 PolarHBondContact NE2-OG1 3.34Å
125G98.6Very high98.1Very high6 Ų662.8 Ų62.86%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-166.6160.5174.700000114.3D113 G138 W140D113-G125 CarbonylContact O-C 3.57Å; D113-G125 WeakPolarHBondContact O-CA 3.32Å; G125-G138 PolarHBondContact N-O 2.91Å; G125-G138 PolarHBondContact O-N 3.15Å; G125-G138 VanDerWaalsContact O-N 3.13Å; G125-W140 PolarHBondContact O-NE1 3.25Å
126T98.8Very high98.1Very high45 Ų4558.8 Ų58.828%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-114.1123.8175-55.20000109.8Y112 D113 K135 Y136Y112-T126 CarbonylContact C-O 3.54Å; Y112-T126 WeakPolarHBondContact CA-O 3.41Å; D113-T126 PolarHBondContact N-O 3.15Å; D113-T126 PolarHBondContact O-N 3.26Å; T126-K135 HydrophobicContact CG2-CB 4.42Å; T126-Y136 CarbonylContact C-O 3.47Å; T126-Y136 WeakPolarHBondContact CA-O 3.3Å
127Y98.8Very high98.1Very high22 Ų2264 Ų649%0.08632%0.323CS..EExtended strand (participates in β ladder)trans-104.5125.3168.8-169.5-78.5000109.5Y106 D110 T111 Y112 R121 Y129 K135 Y136 W140Y106-Y127 HydrophobicContact CD2-CE2 4.15Å; Y106-Y127 HydrophobicContact CE2-CD2 4.27Å; Y106-Y127 AromaticContact CE2-CE2 3.49Å; Y106-Y127 HydrophobicContact CE2-CE2 3.49Å; Y106-Y127 VanDerWaalsContact CE2-CE2 3.49Å; Y106-Y127 AromaticContact CZ-CE2 3.93Å; D110-Y127 HydrophobicContact CB-CE1 3.9Å; D110-Y127 VanDerWaalsContact CB-OH 3.29Å; D110-Y127 WeakPolarHBondContact CB-OH 3.31Å; D110-Y127 WeakPolarHBondContact OD2-CE1 3.38Å; D110-Y127 PolarHBondContact OD2-OH 2.87Å; T111-Y127 CarbonylContact O-C 3.54Å; T111-Y127 VanDerWaalsContact O-CA 3.29Å; T111-Y127 WeakPolarHBondContact O-CA 3.45Å; Y112-Y127 HydrophobicContact CD2-CD2 4.43Å; R121-Y127 VanDerWaalsContact NH1-CD2 3.29Å; Y127-Y129 HydrophobicContact CD1-CD1 4.13Å; Y127-Y129 AromaticContact CD1-CD2 3.92Å; Y127-Y129 HydrophobicContact CD1-CD2 3.92Å; Y127-Y129 AromaticContact CD1-CE1 3.9Å; Y127-Y129 HydrophobicContact CD1-CE1 3.9Å; Y127-Y129 AromaticContact CD1-CE2 3.67Å; Y127-Y129 HydrophobicContact CD1-CE2 3.67Å; Y127-Y129 HydrophobicContact CD1-CG 4.14Å; Y127-Y129 AromaticContact CD1-CZ 3.66Å; Y127-Y129 AromaticContact CE1-CD1 3.56Å; Y127-Y129 HydrophobicContact CE1-CD1 3.56Å; Y127-Y129 HydrophobicContact CE1-CD2 4.2Å; Y127-Y129 AromaticContact CE1-CE1 3.44Å; Y127-Y129 HydrophobicContact CE1-CE1 3.44Å; Y127-Y129 VanDerWaalsContact CE1-CE1 3.44Å; Y127-Y129 HydrophobicContact CE1-CE2 4.09Å; Y127-Y129 AromaticContact CE1-CG 3.95Å; Y127-Y129 HydrophobicContact CE1-CG 3.95Å; Y127-Y129 AromaticContact CE1-CZ 3.71Å; Y127-K135 CarbonylContact O-C 3.52Å; Y127-K135 WeakPolarHBondContact O-CA 3.22Å; Y127-K135 WeakPolarHBondContact O-CB 3.22Å; Y127-Y136 PolarHBondContact N-O 3.06Å; Y127-Y136 PolarHBondContact O-N 3.39Å; Y127-W140 HydrophobicContact CD2-CH2 4.15Å; Y127-W140 HydrophobicContact CG-CH2 4.2Å; Y127-W140 HydrophobicContact CG-CZ2 4.44Å
128L98.6Very high98.1Very high66 Ų6661.3 Ų61.335%0.34631%0.31SS..EExtended strand (participates in β ladder)trans-107.9122.9176.4174.867.3000109.1D110 T111 K135D110-L128 VanDerWaalsContact CA-O 3.25Å; D110-L128 WeakPolarHBondContact CA-O 3.33Å; D110-L128 WeakPolarHBondContact CB-O 3.44Å; T111-L128 PolarHBondContact N-O 2.97Å; T111-L128 PolarHBondContact O-N 3.22Å; T111-L128 WeakPolarHBondContact OG1-CB 3.33Å; L128-K135 HydrophobicContact CD1-CB 4.26Å
129Y98.3Very high98.1Very high65 Ų6557.1 Ų57.126%0.25529%0.292SS..  trans-84.6108.7169.8-62.5-87.2000108.2D110 Y127 D131 T132 G133 A134 M145 Y151D110-Y129 WeakPolarHBondContact OD1-CA 3.48Å; Y127-Y129 HydrophobicContact CD1-CD1 4.13Å; Y127-Y129 AromaticContact CD1-CD2 3.92Å; Y127-Y129 HydrophobicContact CD1-CD2 3.92Å; Y127-Y129 AromaticContact CD1-CE1 3.9Å; Y127-Y129 HydrophobicContact CD1-CE1 3.9Å; Y127-Y129 AromaticContact CD1-CE2 3.67Å; Y127-Y129 HydrophobicContact CD1-CE2 3.67Å; Y127-Y129 HydrophobicContact CD1-CG 4.14Å; Y127-Y129 AromaticContact CD1-CZ 3.66Å; Y127-Y129 AromaticContact CE1-CD1 3.56Å; Y127-Y129 HydrophobicContact CE1-CD1 3.56Å; Y127-Y129 HydrophobicContact CE1-CD2 4.2Å; Y127-Y129 AromaticContact CE1-CE1 3.44Å; Y127-Y129 HydrophobicContact CE1-CE1 3.44Å; Y127-Y129 VanDerWaalsContact CE1-CE1 3.44Å; Y127-Y129 HydrophobicContact CE1-CE2 4.09Å; Y127-Y129 AromaticContact CE1-CG 3.95Å; Y127-Y129 HydrophobicContact CE1-CG 3.95Å; Y127-Y129 AromaticContact CE1-CZ 3.71Å; Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 2.84Å; Y129-T132 VanDerWaalsContact CB-OG1 3.32Å; Y129-T132 WeakPolarHBondContact CB-OG1 3.29Å; Y129-G133 VanDerWaalsContact O-CA 3.3Å; Y129-G133 WeakPolarHBondContact O-CA 3.37Å; Y129-G133 PolarHBondContact O-N 3.05Å; Y129-A134 HydrophobicContact CD2-CB 3.93Å; Y129-A134 WeakPolarHBondContact CD2-O 3.34Å; Y129-A134 HydrophobicContact CG-CB 4.45Å; Y129-A134 PolarHBondContact N-O 2.99Å; Y129-M145 WeakPolarHBondContact OH-CE 3.23Å; Y129-Y151 AromaticContact CE2-CE2 3.99Å; Y129-Y151 HydrophobicContact CE2-CE2 3.99Å
130K97.9Very high98.2Very high133 Ų13353.6 Ų53.658%0.57828%0.276SS*.THydrogen-bonded Turntrans-63.2-41.5-171.8178.7178.6171.5-171.70112.4G109 D110G109-K130 WeakPolarHBondContact O-CB 3.23Å; G109-K130 WeakPolarHBondContact O-CD 3.32Å; D110-K130 PolarHBondContact OD1-N 2.8Å
131D96.9Very high98.2Very high139 Ų13954.4 Ų54.474%0.74328%0.279SS*.THydrogen-bonded Turntrans-69.4-36.3-173.7-68.8-18.3000112.6Y129Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 2.84Å
132T97.3Very high98.1Very high76 Ų7656.1 Ų56.147%0.46629%0.291SS..THydrogen-bonded Turntrans-98.6-19.8-177.262.70000112.9Y129 A134 Y153Y129-T132 VanDerWaalsContact CB-OG1 3.32Å; Y129-T132 WeakPolarHBondContact CB-OG1 3.29Å; T132-A134 PolarHBondContact O-N 3.13Å; T132-A134 VanDerWaalsContact OG1-CB 3.23Å; T132-A134 WeakPolarHBondContact OG1-CB 3.5Å; T132-A134 PolarHBondContact OG1-N 3.06Å; T132-A134 VanDerWaalsContact OG1-N 3.12Å; T132-Y153 WeakPolarHBondContact O-CE2 3.5Å
133G96.7Very high98Very high46 Ų4654.1 Ų54.147%0.47429%0.286SS..  trans69.33.6-166.800000113.6Y129Y129-G133 VanDerWaalsContact O-CA 3.3Å; Y129-G133 WeakPolarHBondContact O-CA 3.37Å; Y129-G133 PolarHBondContact O-N 3.05Å
134A97.8Very high97.9Very high0 Ų056.2 Ų56.20%029%0.294CS..  trans-63.7148.9173.500000109.6Y129 T132 Y151 I152 Y153Y129-A134 HydrophobicContact CD2-CB 3.93Å; Y129-A134 WeakPolarHBondContact CD2-O 3.34Å; Y129-A134 HydrophobicContact CG-CB 4.45Å; Y129-A134 PolarHBondContact N-O 2.99Å; T132-A134 PolarHBondContact O-N 3.13Å; T132-A134 VanDerWaalsContact OG1-CB 3.23Å; T132-A134 WeakPolarHBondContact OG1-CB 3.5Å; T132-A134 PolarHBondContact OG1-N 3.06Å; T132-A134 VanDerWaalsContact OG1-N 3.12Å; A134-Y151 HydrophobicContact CB-CE1 4.1Å; A134-I152 CarbonylContact C-O 3.55Å; A134-I152 VanDerWaalsContact CA-O 3.27Å; A134-I152 WeakPolarHBondContact CA-O 3.36Å; A134-Y153 HydrophobicContact CB-CD2 3.74Å; A134-Y153 HydrophobicContact CB-CG 4.47Å
135K98.1Very high97.8Very high86 Ų8652 Ų5237%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-140.6139.7173.961.2-174.7173.9-176.40111.9T126 Y127 L128 I152T126-K135 HydrophobicContact CG2-CB 4.42Å; Y127-K135 CarbonylContact O-C 3.52Å; Y127-K135 WeakPolarHBondContact O-CA 3.22Å; Y127-K135 WeakPolarHBondContact O-CB 3.22Å; L128-K135 HydrophobicContact CD1-CB 4.26Å; K135-I152 HydrophobicContact CD-CB 4.47Å; K135-I152 HydrophobicContact CD-CD1 4.2Å; K135-I152 VanDerWaalsContact CE-CD1 3.45Å; K135-I152 HydrophobicContact CG-CB 3.72Å; K135-I152 HydrophobicContact CG-CD1 4.03Å; K135-I152 HydrophobicContact CG-CG1 4.36Å; K135-I152 HydrophobicContact CG-CG2 4.29Å; K135-I152 PolarHBondContact N-O 2.79Å; K135-I152 PolarHBondContact O-N 3.18Å
136Y98.4Very high97.7Very high0 Ų053.3 Ų53.30%028%0.28CS..EExtended strand (participates in β ladder)trans-100.6132165.7174.1-91.6000109.1T126 Y127 T139 W140 M145 Q150 F162T126-Y136 CarbonylContact C-O 3.47Å; T126-Y136 WeakPolarHBondContact CA-O 3.3Å; Y127-Y136 PolarHBondContact N-O 3.06Å; Y127-Y136 PolarHBondContact O-N 3.39Å; Y136-T139 PolarHBondContact OH-N 3.47Å; Y136-T139 PolarHBondContact OH-O 3.19Å; Y136-W140 AromaticContact CD1-CE2 3.64Å; Y136-W140 HydrophobicContact CD1-CH2 4.23Å; Y136-W140 AromaticContact CD1-CZ2 3.35Å; Y136-W140 HydrophobicContact CD1-CZ2 3.35Å; Y136-W140 AromaticContact CD1-NE1 3.72Å; Y136-W140 HydrophobicContact CE1-CD2 4.42Å; Y136-W140 AromaticContact CE1-CE2 3.64Å; Y136-W140 AromaticContact CE1-CZ2 3.83Å; Y136-W140 HydrophobicContact CE1-CZ2 3.83Å; Y136-W140 AromaticContact CE1-NE1 3.52Å; Y136-W140 HydrophobicContact CG-CZ2 4.34Å; Y136-M145 HydrophobicContact CD1-CB 4.5Å; Y136-M145 HydrophobicContact CD1-CE 4.26Å; Y136-M145 HydrophobicContact CD1-CG 3.8Å; Y136-M145 HydrophobicContact CD1-SD 4.05Å; Y136-M145 HydrophobicContact CD2-CB 4.49Å; Y136-M145 HydrophobicContact CD2-CE 4.22Å; Y136-M145 HydrophobicContact CD2-CG 4.06Å; Y136-M145 HydrophobicContact CD2-SD 3.43Å; Y136-M145 WeakPolarHBondContact CD2-SD 3.43Å; Y136-M145 HydrophobicContact CE1-CB 3.88Å; Y136-M145 HydrophobicContact CE1-CG 3.65Å; Y136-M145 HydrophobicContact CE1-SD 4.32Å; Y136-M145 HydrophobicContact CE2-CB 3.88Å; Y136-M145 HydrophobicContact CE2-CG 3.94Å; Y136-M145 HydrophobicContact CE2-SD 3.75Å; Y136-M145 HydrophobicContact CG-CE 3.8Å; Y136-M145 HydrophobicContact CG-CG 3.97Å; Y136-M145 HydrophobicContact CG-SD 3.57Å; Y136-M145 VanDerWaalsContact CG-SD 3.57Å; Y136-Q150 CarbonylContact C-O 3.54Å; Y136-Q150 WeakPolarHBondContact CA-O 3.18Å; Y136-F162 HydrophobicContact CD2-CE1 4.23Å; Y136-F162 HydrophobicContact CD2-CE2 4.42Å; Y136-F162 HydrophobicContact CD2-CZ 4.09Å; Y136-F162 HydrophobicContact CE2-CD1 4.05Å; Y136-F162 AromaticContact CE2-CD2 3.76Å; Y136-F162 HydrophobicContact CE2-CD2 3.76Å; Y136-F162 AromaticContact CE2-CE1 3.94Å; Y136-F162 HydrophobicContact CE2-CE1 3.94Å; Y136-F162 AromaticContact CE2-CE2 3.68Å; Y136-F162 HydrophobicContact CE2-CE2 3.68Å; Y136-F162 AromaticContact CE2-CG 3.95Å; Y136-F162 HydrophobicContact CE2-CG 3.95Å; Y136-F162 AromaticContact CE2-CZ 3.75Å; Y136-F162 HydrophobicContact CE2-CZ 3.75Å
137K98.6Very high97.6Very high121 Ų12153.9 Ų53.953%0.52629%0.286SS..EExtended strand (participates in β ladder)trans-127.5117.8171.8179.8179.6179.2-178.70108.7G149 Q150K137-G149 CarbonylContact O-C 3.45Å; K137-G149 WeakPolarHBondContact O-CA 3.37Å; K137-Q150 PolarHBondContact N-O 2.91Å; K137-Q150 PolarHBondContact O-N 3.19Å
138G98.2Very high97.5Very high4 Ų456.2 Ų56.24%0.04131%0.306CS..EExtended strand (participates in β ladder)trans172.5-158.5-178.700000113.1Q124 G125Q124-G138 PolarHBondContact OE1-O 2.89Å; G125-G138 PolarHBondContact N-O 2.91Å; G125-G138 PolarHBondContact O-N 3.15Å; G125-G138 VanDerWaalsContact O-N 3.13Å
139T98.5Very high97.5Very high28 Ų2853.5 Ų53.517%0.17229%0.293CS..EExtended strand (participates in β ladder)trans-85.1137.2-176.9-47.10000110.9G123 Q124 Y136 N146 S148G123-T139 CarbonylContact O-C 3.49Å; G123-T139 WeakPolarHBondContact O-CA 3.3Å; Q124-T139 PolarHBondContact NE2-OG1 3.34Å; Y136-T139 PolarHBondContact OH-N 3.47Å; Y136-T139 PolarHBondContact OH-O 3.19Å; T139-N146 CarbonylContact C-O 3.33Å; T139-N146 VanDerWaalsContact CB-O 3.26Å; T139-N146 WeakPolarHBondContact CB-O 3.4Å; T139-N146 PolarHBondContact O-N 3.42Å; T139-S148 PolarHBondContact N-O 3.25Å; T139-S148 VanDerWaalsContact N-O 3.17Å; T139-S148 PolarHBondContact OG1-O 3.13Å
140W98.4Very high97.5Very high3 Ų353.4 Ų53.41%0.01130%0.295CS..EExtended strand (participates in β ladder)trans-118.5136.1178.1-64.580.7000109.5Y112 R121 H122 G123 G125 Y127 Y136 N144 M145Y112-W140 HydrophobicContact CD2-CZ2 4.12Å; Y112-W140 AromaticContact CE2-CD1 3.84Å; Y112-W140 AromaticContact CE2-CD2 3.79Å; Y112-W140 HydrophobicContact CE2-CD2 3.79Å; Y112-W140 AromaticContact CE2-CE2 3.56Å; Y112-W140 HydrophobicContact CE2-CE3 4.47Å; Y112-W140 AromaticContact CE2-CG 3.96Å; Y112-W140 HydrophobicContact CE2-CG 3.96Å; Y112-W140 HydrophobicContact CE2-CZ2 4.02Å; Y112-W140 AromaticContact CE2-NE1 3.6Å; R121-W140 HydrophobicContact CB-CB 4.3Å; R121-W140 HydrophobicContact CB-CD2 4.36Å; R121-W140 HydrophobicContact CB-CE3 4.13Å; R121-W140 HydrophobicContact CB-CG 4.45Å; R121-W140 VanDerWaalsContact CZ-CZ3 3.45Å; H122-W140 CarbonylContact C-O 3.49Å; H122-W140 VanDerWaalsContact C-O 3.28Å; H122-W140 VanDerWaalsContact CA-O 3.3Å; H122-W140 WeakPolarHBondContact CA-O 3.13Å; G123-W140 PolarHBondContact N-O 2.85Å; G123-W140 PolarHBondContact O-N 2.89Å; G125-W140 PolarHBondContact O-NE1 3.25Å; Y127-W140 HydrophobicContact CD2-CH2 4.15Å; Y127-W140 HydrophobicContact CG-CH2 4.2Å; Y127-W140 HydrophobicContact CG-CZ2 4.44Å; Y136-W140 AromaticContact CD1-CE2 3.64Å; Y136-W140 HydrophobicContact CD1-CH2 4.23Å; Y136-W140 AromaticContact CD1-CZ2 3.35Å; Y136-W140 HydrophobicContact CD1-CZ2 3.35Å; Y136-W140 AromaticContact CD1-NE1 3.72Å; Y136-W140 HydrophobicContact CE1-CD2 4.42Å; Y136-W140 AromaticContact CE1-CE2 3.64Å; Y136-W140 AromaticContact CE1-CZ2 3.83Å; Y136-W140 HydrophobicContact CE1-CZ2 3.83Å; Y136-W140 AromaticContact CE1-NE1 3.52Å; Y136-W140 HydrophobicContact CG-CZ2 4.34Å; W140-N144 CarbonylContact C-O 3.56Å; W140-N144 VanDerWaalsContact CA-O 3.27Å; W140-N144 WeakPolarHBondContact CA-O 3.31Å; W140-M145 HydrophobicContact CE3-CG 4.33Å; W140-M145 HydrophobicContact CH2-CE 3.91Å; W140-M145 HydrophobicContact CH2-CG 3.79Å; W140-M145 HydrophobicContact CZ2-CE 4.48Å; W140-M145 HydrophobicContact CZ2-CG 4.16Å; W140-M145 HydrophobicContact CZ3-CG 3.87Å
141E98.3Very high97.4Very high88 Ų8851 Ų5141%0.41128%0.283SS..EExtended strand (participates in β ladder)trans-137.2123.4174.6-172.6176.3-16200109.6G143 N144 N146E141-G143 PolarHBondContact O-N 3.46Å; E141-G143 VanDerWaalsContact O-N 3.16Å; E141-N144 PolarHBondContact N-O 2.84Å; E141-N144 PolarHBondContact O-N 2.95Å; E141-N146 HydrophobicContact CB-CB 4.05Å; E141-N146 PolarHBondContact OE2-ND2 3.5Å
142N96.3Very high97.5Very high84 Ų8446 Ų4645%0.44926%0.256SS..THydrogen-bonded Turntrans48.344.3179.8-58.5-38.5000112.5M120 N144M120-N142 HydrophobicContact CE-CB 4.28Å; M120-N142 WeakPolarHBondContact CE-OD1 3.47Å; M120-N142 HydrophobicContact SD-CB 4.05Å; N142-N144 PolarHBondContact O-N 3.16Å; N142-N144 PolarHBondContact O-ND2 3.22Å
143G96.4Very high97.4Very high14 Ų1447.5 Ų47.514%0.14425%0.254CS..THydrogen-bonded Turntrans84.7-4.2179.200000116R121 E141R121-G143 PolarHBondContact NE-O 2.71Å; R121-G143 PolarHBondContact NH2-O 2.85Å; R121-G143 PolarHBondContact O-N 2.93Å; E141-G143 PolarHBondContact O-N 3.46Å; E141-G143 VanDerWaalsContact O-N 3.16Å
144N97.1Very high97.3Very high57 Ų5749.3 Ų49.331%0.30526%0.264SS..EExtended strand (participates in β ladder)trans-112.9148.2-176-56.9-70.2000112.3W140 E141 N142 N146 N165W140-N144 CarbonylContact C-O 3.56Å; W140-N144 VanDerWaalsContact CA-O 3.27Å; W140-N144 WeakPolarHBondContact CA-O 3.31Å; E141-N144 PolarHBondContact N-O 2.84Å; E141-N144 PolarHBondContact O-N 2.95Å; N142-N144 PolarHBondContact O-N 3.16Å; N142-N144 PolarHBondContact O-ND2 3.22Å; N144-N146 PolarHBondContact O-N 2.75Å; N144-N165 VanDerWaalsContact CA-OD1 3.31Å; N144-N165 WeakPolarHBondContact CA-OD1 3.4Å; N144-N165 PolarHBondContact OD1-ND2 3.49Å
145M96.9Very high97Very high10 Ų1053.6 Ų53.65%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-63.8126.2167.2-49.5170.5-173.500108.4Y129 Y136 W140 F162 K164 N165Y129-M145 WeakPolarHBondContact OH-CE 3.23Å; Y136-M145 HydrophobicContact CD1-CB 4.5Å; Y136-M145 HydrophobicContact CD1-CE 4.26Å; Y136-M145 HydrophobicContact CD1-CG 3.8Å; Y136-M145 HydrophobicContact CD1-SD 4.05Å; Y136-M145 HydrophobicContact CD2-CB 4.49Å; Y136-M145 HydrophobicContact CD2-CE 4.22Å; Y136-M145 HydrophobicContact CD2-CG 4.06Å; Y136-M145 HydrophobicContact CD2-SD 3.43Å; Y136-M145 WeakPolarHBondContact CD2-SD 3.43Å; Y136-M145 HydrophobicContact CE1-CB 3.88Å; Y136-M145 HydrophobicContact CE1-CG 3.65Å; Y136-M145 HydrophobicContact CE1-SD 4.32Å; Y136-M145 HydrophobicContact CE2-CB 3.88Å; Y136-M145 HydrophobicContact CE2-CG 3.94Å; Y136-M145 HydrophobicContact CE2-SD 3.75Å; Y136-M145 HydrophobicContact CG-CE 3.8Å; Y136-M145 HydrophobicContact CG-CG 3.97Å; Y136-M145 HydrophobicContact CG-SD 3.57Å; Y136-M145 VanDerWaalsContact CG-SD 3.57Å; W140-M145 HydrophobicContact CE3-CG 4.33Å; W140-M145 HydrophobicContact CH2-CE 3.91Å; W140-M145 HydrophobicContact CH2-CG 3.79Å; W140-M145 HydrophobicContact CZ2-CE 4.48Å; W140-M145 HydrophobicContact CZ2-CG 4.16Å; W140-M145 HydrophobicContact CZ3-CG 3.87Å; M145-F162 HydrophobicContact CB-CB 4.2Å; M145-F162 HydrophobicContact CB-CD1 4.39Å; M145-F162 HydrophobicContact CB-CG 4.43Å; M145-F162 HydrophobicContact SD-CD1 4.42Å; M145-K164 PolarHBondContact O-N 2.71Å; M145-N165 PolarHBondContact N-OD1 3.17Å; M145-N165 PolarHBondContact O-N 2.9Å
146N96.1Very high96.8Very high32 Ų3251.9 Ų51.917%0.17128%0.28CS..EExtended strand (participates in β ladder)trans-143.3163.3-179.1-154.423.5000110.3T139 E141 N144 F162T139-N146 CarbonylContact C-O 3.33Å; T139-N146 VanDerWaalsContact CB-O 3.26Å; T139-N146 WeakPolarHBondContact CB-O 3.4Å; T139-N146 PolarHBondContact O-N 3.42Å; E141-N146 HydrophobicContact CB-CB 4.05Å; E141-N146 PolarHBondContact OE2-ND2 3.5Å; N144-N146 PolarHBondContact O-N 2.75Å; N146-F162 CarbonylContact C-O 3.51Å; N146-F162 VanDerWaalsContact CA-O 3.32Å; N146-F162 WeakPolarHBondContact CA-O 3.28Å; N146-F162 PolarHBondContact OD1-O 2.75Å
147S96.5Very high96.7Very high58 Ų5855.2 Ų55.241%0.40629%0.293SS..EExtended strand (participates in β ladder)trans53.9-149.3179.9-55.50000112.9N161 F162S147-N161 CarbonylContact O-C 3.51Å; S147-N161 WeakPolarHBondContact O-CA 3.17Å; S147-F162 PolarHBondContact N-O 3.5Å; S147-F162 PolarHBondContact O-N 3.15Å
148S96.8Very high96.6Very high71 Ų7149.7 Ų49.750%0.49727%0.269SS..EExtended strand (participates in β ladder)trans-70.7140.3-178.258.30000112.6T139 G160T139-S148 PolarHBondContact N-O 3.25Å; T139-S148 VanDerWaalsContact N-O 3.17Å; T139-S148 PolarHBondContact OG1-O 3.13Å; S148-G160 WeakPolarHBondContact CA-O 3.48Å
149G97.7Very high96.6Very high8 Ų851.4 Ų51.48%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-163.3173.3174.800000113.1K137 G160K137-G149 CarbonylContact O-C 3.45Å; K137-G149 WeakPolarHBondContact O-CA 3.37Å; G149-G160 PolarHBondContact N-O 3.12Å; G149-G160 PolarHBondContact O-N 3.19Å; G149-G160 VanDerWaalsContact O-N 3.12Å
150Q97.9Very high96.5Very high63 Ų6350.7 Ų50.729%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-125.3129.4176.5-55.1-173.6-10.900109.2Y136 K137 I152 Y158 E159Y136-Q150 CarbonylContact C-O 3.54Å; Y136-Q150 WeakPolarHBondContact CA-O 3.18Å; K137-Q150 PolarHBondContact N-O 2.91Å; K137-Q150 PolarHBondContact O-N 3.19Å; Q150-I152 HydrophobicContact CB-CD1 4.43Å; Q150-I152 HydrophobicContact CB-CG1 4.35Å; Q150-Y158 CarbonylContact C-O 3.47Å; Q150-Y158 WeakPolarHBondContact CA-O 3.26Å; Q150-E159 HydrophobicContact CG-CG 4.06Å
151Y97.3Very high96.5Very high82 Ų8254.3 Ų54.332%0.32229%0.294SS..EExtended strand (participates in β ladder)trans-108.4116.1170.3-167.1-81.9000108.6Y129 A134 R157 Y158Y129-Y151 AromaticContact CE2-CE2 3.99Å; Y129-Y151 HydrophobicContact CE2-CE2 3.99Å; A134-Y151 HydrophobicContact CB-CE1 4.1Å; Y151-R157 CarbonylContact O-C 3.54Å; Y151-R157 WeakPolarHBondContact O-CA 3.18Å; Y151-Y158 PolarHBondContact N-O 2.87Å; Y151-Y158 PolarHBondContact O-N 2.8Å
152I97.5Very high96.3Very high35 Ų3550.3 Ų50.318%0.17928%0.275CS..EExtended strand (participates in β ladder)trans-114.2126.8-169.4-57.2161.3000107.9A134 K135 Q150 R157A134-I152 CarbonylContact C-O 3.55Å; A134-I152 VanDerWaalsContact CA-O 3.27Å; A134-I152 WeakPolarHBondContact CA-O 3.36Å; K135-I152 HydrophobicContact CD-CB 4.47Å; K135-I152 HydrophobicContact CD-CD1 4.2Å; K135-I152 VanDerWaalsContact CE-CD1 3.45Å; K135-I152 HydrophobicContact CG-CB 3.72Å; K135-I152 HydrophobicContact CG-CD1 4.03Å; K135-I152 HydrophobicContact CG-CG1 4.36Å; K135-I152 HydrophobicContact CG-CG2 4.29Å; K135-I152 PolarHBondContact N-O 2.79Å; K135-I152 PolarHBondContact O-N 3.18Å; Q150-I152 HydrophobicContact CB-CD1 4.43Å; Q150-I152 HydrophobicContact CB-CG1 4.35Å; I152-R157 HydrophobicContact CB-CB 4.21Å; I152-R157 HydrophobicContact CG1-CB 3.65Å; I152-R157 HydrophobicContact CG2-CB 4.43Å
153Y95.5Very high96.2Very high107 Ų10749.2 Ų49.242%0.4227%0.271SS..EExtended strand (participates in β ladder)trans-146.3126.3177.4-179.5-113000110.6T132 A134 N155 H156T132-Y153 WeakPolarHBondContact O-CE2 3.5Å; A134-Y153 HydrophobicContact CB-CD2 3.74Å; A134-Y153 HydrophobicContact CB-CG 4.47Å; Y153-N155 PolarHBondContact O-N 3.09Å; Y153-H156 AromaticContact CD1-CE1 3.87Å; Y153-H156 PolarHBondContact N-O 3.22Å; Y153-H156 PolarHBondContact O-CE1 3Å; Y153-H156 PolarHBondContact O-N 3.03Å; Y153-H156 VanDerWaalsContact O-N 3.15Å; Y153-H156 PolarHBondContact O-ND1 3.01Å
154A94.1Very high96.1Very high84 Ų8456.3 Ų56.369%0.69430%0.298SS*.THydrogen-bonded Turntrans49.3-112.5-176.500000112.5
155N91.9Very high95.9Very high90 Ų9056.9 Ų56.948%0.48130%0.301SS..THydrogen-bonded Turntrans-10315.3-172.467.9-18.6000114.4Y153 D176Y153-N155 PolarHBondContact O-N 3.09Å; N155-D176 VanDerWaalsContact CA-OD2 3.22Å; N155-D176 WeakPolarHBondContact CA-OD2 3.41Å; N155-D176 VanDerWaalsContact O-CG 3.3Å; N155-D176 PolarHBondContact O-N 3.29Å
156H93.9Very high95.7Very high50 Ų5059.6 Ų59.623%0.23132%0.32CS..EExtended strand (participates in β ladder)trans-145.9161.5178.862.5-81.6000111.8Y153 V174 F175Y153-H156 AromaticContact CD1-CE1 3.87Å; Y153-H156 PolarHBondContact N-O 3.22Å; Y153-H156 PolarHBondContact O-CE1 3Å; Y153-H156 PolarHBondContact O-N 3.03Å; Y153-H156 VanDerWaalsContact O-N 3.15Å; Y153-H156 PolarHBondContact O-ND1 3.01Å; H156-V174 CarbonylContact C-O 3.58Å; H156-V174 VanDerWaalsContact CA-O 3.28Å; H156-V174 WeakPolarHBondContact CA-O 3.1Å; H156-F175 HydrophobicContact CB-CD1 3.58Å; H156-F175 HydrophobicContact CB-CE1 3.86Å; H156-F175 HydrophobicContact CB-CG 4.31Å
157R96.9Very high95.7Very high70 Ų7059 Ų5926%0.26432%0.318SS..EExtended strand (participates in β ladder)trans-139.2140.7171.468.3-172.5-172.2-77.6-6.3111.1Y151 I152 E159 Y173 V174Y151-R157 CarbonylContact O-C 3.54Å; Y151-R157 WeakPolarHBondContact O-CA 3.18Å; I152-R157 HydrophobicContact CB-CB 4.21Å; I152-R157 HydrophobicContact CG1-CB 3.65Å; I152-R157 HydrophobicContact CG2-CB 4.43Å; R157-E159 HydrophobicContact CG-CG 4.3Å; R157-E159 IonicContact CZ-OE1 3.62Å; R157-E159 IonicContact NE-OE1 3.86Å; R157-E159 PolarHBondContact NE-OE1 2.71Å; R157-E159 IonicContact NH2-OE1 3.31Å; R157-E159 PolarHBondContact NH2-OE1 2.81Å; R157-Y173 CarbonylContact O-C 3.57Å; R157-Y173 WeakPolarHBondContact O-CA 3.33Å; R157-V174 HydrophobicContact CG-CB 4.06Å; R157-V174 PolarHBondContact N-O 2.86Å; R157-V174 VanDerWaalsContact NH1-CG1 3.28Å; R157-V174 PolarHBondContact O-N 2.9Å
158Y97.2Very high95.5Very high6 Ų658.8 Ų58.82%0.02431%0.311CS..EExtended strand (participates in β ladder)trans-87.6133.4163.7170.9-103.8000109.1Q150 Y151 F162 P167 K172 Y173 Y185 W205Q150-Y158 CarbonylContact C-O 3.47Å; Q150-Y158 WeakPolarHBondContact CA-O 3.26Å; Y151-Y158 PolarHBondContact N-O 2.87Å; Y151-Y158 PolarHBondContact O-N 2.8Å; Y158-F162 HydrophobicContact CD1-CE2 4.1Å; Y158-F162 AromaticContact CD1-CZ 3.69Å; Y158-F162 HydrophobicContact CD1-CZ 3.69Å; Y158-F162 HydrophobicContact CE1-CE1 4.49Å; Y158-F162 AromaticContact CE1-CE2 3.81Å; Y158-F162 HydrophobicContact CE1-CE2 3.81Å; Y158-F162 AromaticContact CE1-CZ 3.69Å; Y158-F162 HydrophobicContact CE1-CZ 3.69Å; Y158-P167 HydrophobicContact CD1-CB 4.44Å; Y158-P167 HydrophobicContact CE1-CB 3.68Å; Y158-K172 CarbonylContact C-O 3.48Å; Y158-K172 WeakPolarHBondContact CA-O 3.36Å; Y158-Y173 HydrophobicContact CD2-CD2 4.2Å; Y158-Y173 AromaticContact CD2-CE2 3.91Å; Y158-Y173 HydrophobicContact CD2-CE2 3.91Å; Y158-Y185 AromaticContact CD2-CE2 3.91Å; Y158-Y185 HydrophobicContact CD2-CE2 3.91Å; Y158-Y185 HydrophobicContact CE1-CD2 4.41Å; Y158-Y185 HydrophobicContact CE1-CE2 4.19Å; Y158-Y185 AromaticContact CE2-CD2 3.72Å; Y158-Y185 HydrophobicContact CE2-CD2 3.72Å; Y158-Y185 AromaticContact CE2-CE2 3.47Å; Y158-Y185 HydrophobicContact CE2-CE2 3.47Å; Y158-Y185 VanDerWaalsContact CE2-CE2 3.47Å; Y158-Y185 HydrophobicContact CG-CE2 4.43Å; Y158-Y185 AromaticContact CZ-CD2 3.6Å; Y158-Y185 AromaticContact CZ-CE2 3.62Å; Y158-Y185 WeakPolarHBondContact OH-CD2 3.27Å; Y158-W205 HydrophobicContact CE2-CH2 4.32Å; Y158-W205 AromaticContact CE2-CZ3 3.83Å; Y158-W205 HydrophobicContact CE2-CZ3 3.83Å
159E97.8Very high95.3Very high39 Ų3956 Ų5618%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-118.3124.5171-55.5-175.2172.600108.5Q150 R157 G171 K172 V174Q150-E159 HydrophobicContact CG-CG 4.06Å; R157-E159 HydrophobicContact CG-CG 4.3Å; R157-E159 IonicContact CZ-OE1 3.62Å; R157-E159 IonicContact NE-OE1 3.86Å; R157-E159 PolarHBondContact NE-OE1 2.71Å; R157-E159 IonicContact NH2-OE1 3.31Å; R157-E159 PolarHBondContact NH2-OE1 2.81Å; E159-G171 CarbonylContact O-C 3.52Å; E159-G171 WeakPolarHBondContact O-CA 3.34Å; E159-K172 HydrophobicContact CB-CG 4.14Å; E159-K172 PolarHBondContact N-O 2.98Å; E159-K172 PolarHBondContact O-N 2.95Å; E159-K172 WeakPolarHBondContact OE2-CE 3.32Å; E159-K172 IonicContact OE2-NZ 2.91Å; E159-V174 HydrophobicContact CG-CG2 4.41Å
160G96.8Very high95.2Very high14 Ų1460.9 Ų60.914%0.14432%0.318CS..EExtended strand (participates in β ladder)trans175.5-165.1179.200000113.2S148 G149S148-G160 WeakPolarHBondContact CA-O 3.48Å; G149-G160 PolarHBondContact N-O 3.12Å; G149-G160 PolarHBondContact O-N 3.19Å; G149-G160 VanDerWaalsContact O-N 3.12Å
161N96.8Very high95.1Very high78 Ų7858.5 Ų58.542%0.41731%0.31SS..EExtended strand (participates in β ladder)trans-92.4149.7179.3-64.6-53.8000111.8S147 P167 Q168S147-N161 CarbonylContact O-C 3.51Å; S147-N161 WeakPolarHBondContact O-CA 3.17Å; N161-P167 CarbonylContact O-C 3.34Å; N161-P167 WeakPolarHBondContact O-CA 2.94Å; N161-Q168 WeakPolarHBondContact CB-O 3.06Å; N161-Q168 PolarHBondContact O-N 2.89Å
162F95.3Very high95.1Very high5 Ų556.9 Ų56.92%0.02231%0.305CS..EExtended strand (participates in β ladder)trans-126.7143.5177.8-67.1-101.1000109.6Y136 M145 N146 S147 Y158 C166 P167Y136-F162 HydrophobicContact CD2-CE1 4.23Å; Y136-F162 HydrophobicContact CD2-CE2 4.42Å; Y136-F162 HydrophobicContact CD2-CZ 4.09Å; Y136-F162 HydrophobicContact CE2-CD1 4.05Å; Y136-F162 AromaticContact CE2-CD2 3.76Å; Y136-F162 HydrophobicContact CE2-CD2 3.76Å; Y136-F162 AromaticContact CE2-CE1 3.94Å; Y136-F162 HydrophobicContact CE2-CE1 3.94Å; Y136-F162 AromaticContact CE2-CE2 3.68Å; Y136-F162 HydrophobicContact CE2-CE2 3.68Å; Y136-F162 AromaticContact CE2-CG 3.95Å; Y136-F162 HydrophobicContact CE2-CG 3.95Å; Y136-F162 AromaticContact CE2-CZ 3.75Å; Y136-F162 HydrophobicContact CE2-CZ 3.75Å; M145-F162 HydrophobicContact CB-CB 4.2Å; M145-F162 HydrophobicContact CB-CD1 4.39Å; M145-F162 HydrophobicContact CB-CG 4.43Å; M145-F162 HydrophobicContact SD-CD1 4.42Å; N146-F162 CarbonylContact C-O 3.51Å; N146-F162 VanDerWaalsContact CA-O 3.32Å; N146-F162 WeakPolarHBondContact CA-O 3.28Å; N146-F162 PolarHBondContact OD1-O 2.75Å; S147-F162 PolarHBondContact N-O 3.5Å; S147-F162 PolarHBondContact O-N 3.15Å; Y158-F162 HydrophobicContact CD1-CE2 4.1Å; Y158-F162 AromaticContact CD1-CZ 3.69Å; Y158-F162 HydrophobicContact CD1-CZ 3.69Å; Y158-F162 HydrophobicContact CE1-CE1 4.49Å; Y158-F162 AromaticContact CE1-CE2 3.81Å; Y158-F162 HydrophobicContact CE1-CE2 3.81Å; Y158-F162 AromaticContact CE1-CZ 3.69Å; Y158-F162 HydrophobicContact CE1-CZ 3.69Å; F162-C166 CarbonylContact C-O 3.55Å; F162-C166 VanDerWaalsContact CA-O 3.26Å; F162-C166 WeakPolarHBondContact CA-O 3.47Å; F162-P167 HydrophobicContact CD1-CB 4.21Å; F162-P167 HydrophobicContact CE1-CB 3.97Å; F162-P167 HydrophobicContact CZ-CB 4.4Å
163V95Very high95Very high61 Ų6157.3 Ų57.337%0.3730%0.304SS..EExtended strand (participates in β ladder)trans-133.4116.9171.3-179.10000107.7N165 C166 Q168V163-N165 PolarHBondContact O-N 2.74Å; V163-C166 PolarHBondContact N-O 2.73Å; V163-C166 WeakPolarHBondContact O-CB 3.21Å; V163-C166 PolarHBondContact O-N 3.18Å; V163-Q168 HydrophobicContact CG2-CB 4.4Å
164K93.3Very high95Very high163 Ų16352.7 Ų52.771%0.70929%0.287SS*.THydrogen-bonded Turntrans4952.4-179.1-63.5-175.6177.2-179.40113.5M145 C166M145-K164 PolarHBondContact O-N 2.71Å; K164-C166 PolarHBondContact O-N 3.46Å
165N93.8Very high95Very high68 Ų6851.8 Ų51.836%0.36427%0.267SS..THydrogen-bonded Turntrans72.7-3.3-178-42.5-63000116.2N144 M145 V163N144-N165 VanDerWaalsContact CA-OD1 3.31Å; N144-N165 WeakPolarHBondContact CA-OD1 3.4Å; N144-N165 PolarHBondContact OD1-ND2 3.49Å; M145-N165 PolarHBondContact N-OD1 3.17Å; M145-N165 PolarHBondContact O-N 2.9Å; V163-N165 PolarHBondContact O-N 2.74Å
166C92.8Very high94.9Very high67 Ų6753.1 Ų53.145%0.45328%0.275SS..EExtended strand (participates in β ladder)trans-101.5128.8178.3-64.60000111F162 V163 K164F162-C166 CarbonylContact C-O 3.55Å; F162-C166 VanDerWaalsContact CA-O 3.26Å; F162-C166 WeakPolarHBondContact CA-O 3.47Å; V163-C166 PolarHBondContact N-O 2.73Å; V163-C166 WeakPolarHBondContact O-CB 3.21Å; V163-C166 PolarHBondContact O-N 3.18Å; K164-C166 PolarHBondContact O-N 3.46Å
167P94.2Very high94.6Very high20 Ų2056.5 Ų56.513%0.1329%0.293CS..EExtended strand (participates in β ladder)trans-64.8138.1170.130.8-36000109.9Y158 N161 F162 Y185 P203Y158-P167 HydrophobicContact CD1-CB 4.44Å; Y158-P167 HydrophobicContact CE1-CB 3.68Å; N161-P167 CarbonylContact O-C 3.34Å; N161-P167 WeakPolarHBondContact O-CA 2.94Å; F162-P167 HydrophobicContact CD1-CB 4.21Å; F162-P167 HydrophobicContact CE1-CB 3.97Å; F162-P167 HydrophobicContact CZ-CB 4.4Å; P167-Y185 HydrophobicContact CB-CD2 3.57Å; P167-Y185 HydrophobicContact CB-CE2 3.68Å; P167-Y185 HydrophobicContact CB-CG 3.98Å; P167-Y185 HydrophobicContact CG-CD1 4.07Å; P167-Y185 HydrophobicContact CG-CD2 3.95Å; P167-Y185 HydrophobicContact CG-CE1 3.93Å; P167-Y185 HydrophobicContact CG-CE2 3.79Å; P167-Y185 HydrophobicContact CG-CG 4.05Å; P167-Y185 WeakPolarHBondContact O-CB 3.49Å; P167-P203 HydrophobicContact CG-CB 4.05Å; P167-P203 HydrophobicContact CG-CG 3.8Å
168Q93.3Very high93.9Very high53 Ų5354.9 Ų54.925%0.24830%0.298CS..EExtended strand (participates in β ladder)trans-150.6143.8-175.1-164.6-172.7-59.500111.3N161 V163 K187N161-Q168 WeakPolarHBondContact CB-O 3.06Å; N161-Q168 PolarHBondContact O-N 2.89Å; V163-Q168 HydrophobicContact CG2-CB 4.4Å; Q168-K187 HydrophobicContact CG-CG 3.99Å; Q168-K187 VanDerWaalsContact NE2-CE 3.27Å
169G92.6Very high93.5Very high14 Ų1455.7 Ų55.714%0.14430%0.304CS..EExtended strand (participates in β ladder)trans74.3-162177.200000112.2E184 Y185G169-E184 WeakPolarHBondContact O-CA 3.26Å; G169-E184 WeakPolarHBondContact O-CG 3.3Å; G169-Y185 PolarHBondContact N-O 2.86Å; G169-Y185 PolarHBondContact O-N 3.21Å
170L95.3Very high93.4Very high110 Ų11056.1 Ų56.158%0.57631%0.306SS*.EExtended strand (participates in β ladder)trans-63.1140.2-173.9-66172.3000111.3E184L170-E184 HydrophobicContact CD2-CB 4.26Å; L170-E184 HydrophobicContact CD2-CG 4.2Å
171G96.1Very high93.3Very high13 Ų1357.7 Ų57.713%0.13431%0.31CS..EExtended strand (participates in β ladder)trans-162.5-174.1173.900000111.7E159 G183 W205E159-G171 CarbonylContact O-C 3.52Å; E159-G171 WeakPolarHBondContact O-CA 3.34Å; G171-G183 PolarHBondContact N-O 3.28Å; G171-G183 PolarHBondContact O-N 3.49Å; G171-G183 VanDerWaalsContact O-N 3.15Å; G171-G183 VanDerWaalsContact O-O 3.05Å; G171-W205 WeakPolarHBondContact O-CH2 3.4Å
172K96.7Very high93.3Very high48 Ų4856.9 Ų56.921%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-148.5145.6174.861.3177.9-175.7169.50112Y158 E159 V174 E180 Q181Y158-K172 CarbonylContact C-O 3.48Å; Y158-K172 WeakPolarHBondContact CA-O 3.36Å; E159-K172 HydrophobicContact CB-CG 4.14Å; E159-K172 PolarHBondContact N-O 2.98Å; E159-K172 PolarHBondContact O-N 2.95Å; E159-K172 WeakPolarHBondContact OE2-CE 3.32Å; E159-K172 IonicContact OE2-NZ 2.91Å; K172-V174 HydrophobicContact CD-CG2 4.08Å; K172-V174 HydrophobicContact CG-CG2 4.14Å; K172-E180 WeakPolarHBondContact CD-OE2 3.4Å; K172-E180 IonicContact NZ-OE1 2.79Å; K172-E180 PolarHBondContact NZ-OE1 3.22Å; K172-E180 IonicContact NZ-OE2 3.27Å; K172-E180 PolarHBondContact NZ-OE2 3.47Å; K172-Q181 CarbonylContact C-O 3.58Å; K172-Q181 WeakPolarHBondContact CA-O 3.18Å
173Y96.1Very high93.2Very high44 Ų4456.7 Ų56.717%0.17330%0.303CS..EExtended strand (participates in β ladder)trans-89.8127.3162.7-78.4-88.3000109.2R157 Y158 E180 Q181 Y185 W205R157-Y173 CarbonylContact O-C 3.57Å; R157-Y173 WeakPolarHBondContact O-CA 3.33Å; Y158-Y173 HydrophobicContact CD2-CD2 4.2Å; Y158-Y173 AromaticContact CD2-CE2 3.91Å; Y158-Y173 HydrophobicContact CD2-CE2 3.91Å; Y173-E180 CarbonylContact O-C 3.49Å; Y173-E180 WeakPolarHBondContact O-CA 3.34Å; Y173-Q181 PolarHBondContact N-O 3.36Å; Y173-Q181 PolarHBondContact O-N 3.31Å; Y173-Y185 PolarHBondContact OH-OH 3.35Å; Y173-W205 HydrophobicContact CD2-CD2 4.44Å; Y173-W205 AromaticContact CD2-CE2 3.89Å; Y173-W205 HydrophobicContact CD2-CH2 4.32Å; Y173-W205 AromaticContact CD2-CZ2 3.83Å; Y173-W205 HydrophobicContact CD2-CZ2 3.83Å; Y173-W205 AromaticContact CE2-CD2 4Å; Y173-W205 HydrophobicContact CE2-CD2 4Å; Y173-W205 AromaticContact CE2-CE2 3.91Å; Y173-W205 HydrophobicContact CE2-CE3 4.36Å; Y173-W205 HydrophobicContact CE2-CG 4.36Å; Y173-W205 HydrophobicContact CE2-CZ2 4.19Å
174V95.5Very high93.2Very high10 Ų1057.4 Ų57.46%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-111.3125172.6-171.90000108.4H156 R157 E159 K172 E180H156-V174 CarbonylContact C-O 3.58Å; H156-V174 VanDerWaalsContact CA-O 3.28Å; H156-V174 WeakPolarHBondContact CA-O 3.1Å; R157-V174 HydrophobicContact CG-CB 4.06Å; R157-V174 PolarHBondContact N-O 2.86Å; R157-V174 VanDerWaalsContact NH1-CG1 3.28Å; R157-V174 PolarHBondContact O-N 2.9Å; E159-V174 HydrophobicContact CG-CG2 4.41Å; K172-V174 HydrophobicContact CD-CG2 4.08Å; K172-V174 HydrophobicContact CG-CG2 4.14Å; V174-E180 HydrophobicContact CG1-CG 4.25Å; V174-E180 HydrophobicContact CG2-CG 4.13Å
175F93.8Very high93.2Very high64 Ų6450.7 Ų50.728%0.28127%0.273SS..EExtended strand (participates in β ladder)trans-103.8147.5179.5-59-90.6000110H156 I177 G178 C179 Q181H156-F175 HydrophobicContact CB-CD1 3.58Å; H156-F175 HydrophobicContact CB-CE1 3.86Å; H156-F175 HydrophobicContact CB-CG 4.31Å; F175-I177 HydrophobicContact CB-CG1 3.83Å; F175-I177 PolarHBondContact O-N 2.97Å; F175-G178 PolarHBondContact O-N 3.1Å; F175-C179 HydrophobicContact CD2-CB 4.45Å; F175-C179 WeakPolarHBondContact CD2-O 3.46Å; F175-C179 PolarHBondContact N-O 3.44Å; F175-Q181 HydrophobicContact CE2-CB 4.35Å
176D89.3Confident92.9Very high118 Ų11851 Ų5163%0.63127%0.274SS*.THydrogen-bonded Turntrans-60.1-21.3-178.9-68.6-12.8000113.6N155 G178N155-D176 VanDerWaalsContact CA-OD2 3.22Å; N155-D176 WeakPolarHBondContact CA-OD2 3.41Å; N155-D176 VanDerWaalsContact O-CG 3.3Å; N155-D176 PolarHBondContact O-N 3.29Å; D176-G178 PolarHBondContact O-N 3.03Å
177I87.8Confident92.1Very high122 Ų12254.4 Ų54.463%0.62628%0.281SS*.THydrogen-bonded Turntrans-71.7-1.7173.262.9170.5000113.5F175 C179 L213F175-I177 HydrophobicContact CB-CG1 3.83Å; F175-I177 PolarHBondContact O-N 2.97Å; I177-C179 HydrophobicContact CD1-CB 4.29Å; I177-C179 HydrophobicContact CG1-CB 4.21Å; I177-L213 HydrophobicContact CB-CD2 4.5Å; I177-L213 WeakPolarHBondContact O-CD2 3.47Å
178G83.8Confident90.6Very high35 Ų3558.6 Ų58.636%0.36131%0.308SS..SBendtrans85.16.717800000115F175 D176F175-G178 PolarHBondContact O-N 3.1Å; D176-G178 PolarHBondContact O-N 3.03Å
179C88.8Confident89Confident24 Ų2462.2 Ų62.216%0.16233%0.329CS..  trans-83.7145.9170.2-67.20000110.6F175 I177 L213F175-C179 HydrophobicContact CD2-CB 4.45Å; F175-C179 WeakPolarHBondContact CD2-O 3.46Å; F175-C179 PolarHBondContact N-O 3.44Å; I177-C179 HydrophobicContact CD1-CB 4.29Å; I177-C179 HydrophobicContact CG1-CB 4.21Å; C179-L213 WeakPolarHBondContact SG-CD2 3.37Å
180E94.9Very high87.1Confident47 Ų4770.2 Ų70.222%0.2236%0.363CS..EExtended strand (participates in β ladder)trans-121.4139.3169.7-57.4-168.915500110.2K172 Y173 V174 H182 I210 T211K172-E180 WeakPolarHBondContact CD-OE2 3.4Å; K172-E180 IonicContact NZ-OE1 2.79Å; K172-E180 PolarHBondContact NZ-OE1 3.22Å; K172-E180 IonicContact NZ-OE2 3.27Å; K172-E180 PolarHBondContact NZ-OE2 3.47Å; Y173-E180 CarbonylContact O-C 3.49Å; Y173-E180 WeakPolarHBondContact O-CA 3.34Å; V174-E180 HydrophobicContact CG1-CG 4.25Å; V174-E180 HydrophobicContact CG2-CG 4.13Å; E180-H182 IonicContact OE2-CE1 3.51Å; E180-H182 IonicContact OE2-NE2 2.65Å; E180-H182 PolarHBondContact OE2-NE2 2.87Å; E180-I210 CarbonylContact O-C 3.53Å; E180-I210 VanDerWaalsContact O-CA 3.3Å; E180-I210 WeakPolarHBondContact O-CA 3.49Å; E180-T211 PolarHBondContact O-N 2.91Å
181Q94.8Very high84.9Confident48 Ų4872.4 Ų72.422%0.22438%0.375CS..EExtended strand (participates in β ladder)trans-113.4116.7167.5179.1-177.684.400108.6K172 Y173 F175 W205 P207 C209 I210K172-Q181 CarbonylContact C-O 3.58Å; K172-Q181 WeakPolarHBondContact CA-O 3.18Å; Y173-Q181 PolarHBondContact N-O 3.36Å; Y173-Q181 PolarHBondContact O-N 3.31Å; F175-Q181 HydrophobicContact CE2-CB 4.35Å; Q181-W205 HydrophobicContact CG-CZ2 4.47Å; Q181-P207 HydrophobicContact CG-CB 4.26Å; Q181-C209 WeakPolarHBondContact CA-O 3.21Å; Q181-I210 HydrophobicContact CB-CG1 4.26Å; Q181-I210 HydrophobicContact CG-CG1 4.09Å
182H95.7Very high82.7Confident60 Ų6078 Ų7828%0.27840%0.398SS..EExtended strand (participates in β ladder)trans-93.7146.4178.2-65.8-115.6000109.4E180 E208 C209 T211E180-H182 IonicContact OE2-CE1 3.51Å; E180-H182 IonicContact OE2-NE2 2.65Å; E180-H182 PolarHBondContact OE2-NE2 2.87Å; H182-E208 PolarHBondContact O-N 3.16Å; H182-C209 PolarHBondContact N-O 2.85Å; H182-C209 PolarHBondContact O-N 3.45Å; H182-T211 PolarHBondContact NE2-OG1 3.27Å
183G94.1Very high80.1Confident1 Ų180.2 Ų80.21%0.0142%0.417CS..EExtended strand (participates in β ladder)trans177.5-167.7-179.900000112.6G171 W205 S206G171-G183 PolarHBondContact N-O 3.28Å; G171-G183 PolarHBondContact O-N 3.49Å; G171-G183 VanDerWaalsContact O-N 3.15Å; G171-G183 VanDerWaalsContact O-O 3.05Å; G183-W205 VanDerWaalsContact C-CZ3 3.43Å; G183-W205 VanDerWaalsContact N-CH2 3.32Å; G183-W205 WeakPolarHBondContact O-CH2 3.47Å; G183-S206 CarbonylContact C-O 3.57Å; G183-S206 WeakPolarHBondContact CA-O 3.35Å
184E94.9Very high77.8Confident76 Ų7687 Ų8736%0.35545%0.45SS..EExtended strand (participates in β ladder)trans-130.7139.3-177.4-156.1-175.4174.400111.8G169 L170 S206G169-E184 WeakPolarHBondContact O-CA 3.26Å; G169-E184 WeakPolarHBondContact O-CG 3.3Å; L170-E184 HydrophobicContact CD2-CB 4.26Å; L170-E184 HydrophobicContact CD2-CG 4.2Å; E184-S206 PolarHBondContact N-O 2.97Å; E184-S206 PolarHBondContact O-N 3.21Å
185Y93.5Very high75.2Confident22 Ų2295.7 Ų95.79%0.08649%0.49CS..EExtended strand (participates in β ladder)trans-84.5119.4162.1-87.7-75.4000110.9Y158 P167 G169 Y173 P203 K204 W205Y158-Y185 AromaticContact CD2-CE2 3.91Å; Y158-Y185 HydrophobicContact CD2-CE2 3.91Å; Y158-Y185 HydrophobicContact CE1-CD2 4.41Å; Y158-Y185 HydrophobicContact CE1-CE2 4.19Å; Y158-Y185 AromaticContact CE2-CD2 3.72Å; Y158-Y185 HydrophobicContact CE2-CD2 3.72Å; Y158-Y185 AromaticContact CE2-CE2 3.47Å; Y158-Y185 HydrophobicContact CE2-CE2 3.47Å; Y158-Y185 VanDerWaalsContact CE2-CE2 3.47Å; Y158-Y185 HydrophobicContact CG-CE2 4.43Å; Y158-Y185 AromaticContact CZ-CD2 3.6Å; Y158-Y185 AromaticContact CZ-CE2 3.62Å; Y158-Y185 WeakPolarHBondContact OH-CD2 3.27Å; P167-Y185 HydrophobicContact CB-CD2 3.57Å; P167-Y185 HydrophobicContact CB-CE2 3.68Å; P167-Y185 HydrophobicContact CB-CG 3.98Å; P167-Y185 HydrophobicContact CG-CD1 4.07Å; P167-Y185 HydrophobicContact CG-CD2 3.95Å; P167-Y185 HydrophobicContact CG-CE1 3.93Å; P167-Y185 HydrophobicContact CG-CE2 3.79Å; P167-Y185 HydrophobicContact CG-CG 4.05Å; P167-Y185 WeakPolarHBondContact O-CB 3.49Å; G169-Y185 PolarHBondContact N-O 2.86Å; G169-Y185 PolarHBondContact O-N 3.21Å; Y173-Y185 PolarHBondContact OH-OH 3.35Å; Y185-P203 HydrophobicContact CD1-CB 3.71Å; Y185-P203 HydrophobicContact CD1-CG 4.4Å; Y185-P203 HydrophobicContact CE1-CB 3.88Å; Y185-P203 HydrophobicContact CE1-CG 4.09Å; Y185-K204 WeakPolarHBondContact CA-O 3.5Å; Y185-W205 HydrophobicContact CD1-CB 4.32Å; Y185-W205 HydrophobicContact CD1-CE3 4.45Å; Y185-W205 AromaticContact CD2-CE3 3.5Å; Y185-W205 HydrophobicContact CD2-CE3 3.5Å; Y185-W205 VanDerWaalsContact CD2-CE3 3.5Å; Y185-W205 AromaticContact CD2-CZ3 3.84Å; Y185-W205 HydrophobicContact CD2-CZ3 3.84Å; Y185-W205 HydrophobicContact CE1-CB 3.91Å; Y185-W205 HydrophobicContact CE2-CD2 4.44Å; Y185-W205 AromaticContact CE2-CE3 3.58Å; Y185-W205 HydrophobicContact CE2-CE3 3.58Å; Y185-W205 HydrophobicContact CE2-CZ3 4.06Å; Y185-W205 AromaticContact CG-CE3 3.99Å; Y185-W205 HydrophobicContact CG-CE3 3.99Å
186L86.9Confident72.5Confident74 Ų7496.7 Ų96.739%0.38750%0.502SS..EExtended strand (participates in β ladder)trans-73.8141.7179.3-58.3177000110.7K204L186-K204 HydrophobicContact CD1-CD 4.33Å; L186-K204 PolarHBondContact N-O 2.96Å
187K75.6Confident70.4Confident140 Ų14098 Ų9861%0.60951%0.507SS*.PPolyproline II helixtrans-65.3140.5171.7-60-173.1-168-176.80109.3Q168 D189Q168-K187 HydrophobicContact CG-CG 3.99Å; Q168-K187 VanDerWaalsContact NE2-CE 3.27Å; K187-D189 PolarHBondContact O-N 2.84Å
188P63.6Low67.9Low108 Ų10895.9 Ų95.970%0.70151%0.508SS*.PPolyproline II helixtrans-60.5134.4166.524.5-30.1000109.1Q190P188-Q190 PolarHBondContact O-N 2.82Å
189D58.8Low65.9Low129 Ų129100.4 Ų100.469%0.6953%0.534SS*.PPolyproline II helixtrans-55.2123.8178.9-95.2-31.4000109.9K187 D191K187-D189 PolarHBondContact O-N 2.84Å; D189-D191 PolarHBondContact O-N 2.82Å
190Q53Low63.9Low182 Ų182106.7 Ų106.785%0.8557%0.566SS**THydrogen-bonded Turntrans-74.9-1.1-177.8-67.4-172.7-21.500113.5P188P188-Q190 PolarHBondContact O-N 2.82Å
191D50.1Low61.9Low155 Ų155107.9 Ų107.983%0.82959%0.591SS**THydrogen-bonded Turntrans-109.18.3-172.3-72.5-35.4000114.6D189D189-D191 PolarHBondContact O-N 2.82Å
192Q48.6Very low60.6Low132 Ų132108.3 Ų108.362%0.61761%0.608SS**SBendtrans-90128.7174.6-68.2-167.58.400111.6E194Q192-E194 PolarHBondContact O-N 2.81Å
193P41.7Very low60Low94 Ų94108.5 Ų108.561%0.6162%0.615SS**  trans-62.613717824.9-32.1000110.9E195 T196P193-E195 PolarHBondContact O-N 2.84Å; P193-T196 PolarHBondContact O-N 2.94Å; P193-T196 PolarHBondContact O-OG1 2.88Å; P193-T196 VanDerWaalsContact O-OG1 3.1Å
194E48.8Very low59.7Low185 Ų185115.5 Ų115.586%0.86465%0.645SS**G310 helixtrans-53.7-15.8-172.3-67.9-177.2156.600114.9Q192 T196Q192-E194 PolarHBondContact O-N 2.81Å; E194-T196 PolarHBondContact O-N 2.77Å
195E40.4Very low59.6Low193 Ų193114.2 Ų114.290%0.90264%0.637SS**G310 helixtrans-84.51.8-178.5-66.5-165.6164.800115.4P193P193-E195 PolarHBondContact O-N 2.84Å
196T38.2Very low59.6Low86 Ų86115.6 Ų115.653%0.52865%0.65SS.*G310 helixtrans-110.314.4-177.753.60000115.8P193 E194 A198P193-T196 PolarHBondContact O-N 2.94Å; P193-T196 PolarHBondContact O-OG1 2.88Å; P193-T196 VanDerWaalsContact O-OG1 3.1Å; E194-T196 PolarHBondContact O-N 2.77Å; T196-A198 PolarHBondContact O-N 2.83Å
197I44.3Very low59.8Low145 Ų145115.8 Ų115.874%0.74466%0.655SS**  trans-74.775.2175.7-45.3177.5000110
198A35.5Very low60.4Low78 Ų78115.1 Ų115.165%0.64565%0.654SS**  trans-72.7130.2161.500000109.1T196 D200T196-A198 PolarHBondContact O-N 2.83Å; A198-D200 VanDerWaalsContact C-N 3.26Å; A198-D200 PolarHBondContact O-N 2.85Å
199S41.6Very low61.5Low130 Ų130113.4 Ų113.491%0.90964%0.644SS**SBendtrans-12.614.3172.467.70000124.8
200D46.4Very low62.6Low156 Ų156112.9 Ų112.983%0.83464%0.64SS**  trans-134.213.8179.9-156.523.2000113.7A198 G202A198-D200 VanDerWaalsContact C-N 3.26Å; A198-D200 PolarHBondContact O-N 2.85Å; D200-G202 VanDerWaalsContact C-N 3.27Å; D200-G202 PolarHBondContact O-N 3.04Å
201G53.6Low63.9Low72 Ų72107.2 Ų107.274%0.74262%0.618SS**  trans-79.747.3-172.800000116.1
202G67.3Low64.3Low56 Ų56104.5 Ų104.558%0.57761%0.611SS**PPolyproline II helixtrans-74.7163.4173.700000113.4D200 K204D200-G202 VanDerWaalsContact C-N 3.27Å; D200-G202 PolarHBondContact O-N 3.04Å; G202-K204 PolarHBondContact O-N 2.68Å
203P82.1Confident64.8Low65 Ų65103.4 Ų103.442%0.42261%0.609SS.*PPolyproline II helixtrans-59.4134.8174.628.3-36.4000110.7P167 Y185P167-P203 HydrophobicContact CG-CB 4.05Å; P167-P203 HydrophobicContact CG-CG 3.8Å; Y185-P203 HydrophobicContact CD1-CB 3.71Å; Y185-P203 HydrophobicContact CD1-CG 4.4Å; Y185-P203 HydrophobicContact CE1-CB 3.88Å; Y185-P203 HydrophobicContact CE1-CG 4.09Å
204K88.9Confident65.3Low148 Ų148103.2 Ų103.264%0.64361%0.61SS**EExtended strand (participates in β ladder)trans-97.1120.6-174.9-173.1174.7178.6-179.30111.5Y185 L186 G202Y185-K204 WeakPolarHBondContact CA-O 3.5Å; L186-K204 HydrophobicContact CD1-CD 4.33Å; L186-K204 PolarHBondContact N-O 2.96Å; G202-K204 PolarHBondContact O-N 2.68Å
205W92.8Very high65.2Low49 Ų4999.8 Ų99.819%0.18660%0.604CS.*EExtended strand (participates in β ladder)trans-85131.6175.7178.1-114.5000111.7Y158 G171 Y173 Q181 G183 Y185Y158-W205 HydrophobicContact CE2-CH2 4.32Å; Y158-W205 AromaticContact CE2-CZ3 3.83Å; Y158-W205 HydrophobicContact CE2-CZ3 3.83Å; G171-W205 WeakPolarHBondContact O-CH2 3.4Å; Y173-W205 HydrophobicContact CD2-CD2 4.44Å; Y173-W205 AromaticContact CD2-CE2 3.89Å; Y173-W205 HydrophobicContact CD2-CH2 4.32Å; Y173-W205 AromaticContact CD2-CZ2 3.83Å; Y173-W205 HydrophobicContact CD2-CZ2 3.83Å; Y173-W205 AromaticContact CE2-CD2 4Å; Y173-W205 HydrophobicContact CE2-CD2 4Å; Y173-W205 AromaticContact CE2-CE2 3.91Å; Y173-W205 HydrophobicContact CE2-CE3 4.36Å; Y173-W205 HydrophobicContact CE2-CG 4.36Å; Y173-W205 HydrophobicContact CE2-CZ2 4.19Å; Q181-W205 HydrophobicContact CG-CZ2 4.47Å; G183-W205 VanDerWaalsContact C-CZ3 3.43Å; G183-W205 VanDerWaalsContact N-CH2 3.32Å; G183-W205 WeakPolarHBondContact O-CH2 3.47Å; Y185-W205 HydrophobicContact CD1-CB 4.32Å; Y185-W205 HydrophobicContact CD1-CE3 4.45Å; Y185-W205 AromaticContact CD2-CE3 3.5Å; Y185-W205 HydrophobicContact CD2-CE3 3.5Å; Y185-W205 VanDerWaalsContact CD2-CE3 3.5Å; Y185-W205 AromaticContact CD2-CZ3 3.84Å; Y185-W205 HydrophobicContact CD2-CZ3 3.84Å; Y185-W205 HydrophobicContact CE1-CB 3.91Å; Y185-W205 HydrophobicContact CE2-CD2 4.44Å; Y185-W205 AromaticContact CE2-CE3 3.58Å; Y185-W205 HydrophobicContact CE2-CE3 3.58Å; Y185-W205 HydrophobicContact CE2-CZ3 4.06Å; Y185-W205 AromaticContact CG-CE3 3.99Å; Y185-W205 HydrophobicContact CG-CE3 3.99Å
206S92.5Very high65.5Low50 Ų5097.1 Ų97.135%0.3560%0.6SS.*EExtended strand (participates in β ladder)trans-115.3100.3174.5-176.30000109.4G183 E184G183-S206 CarbonylContact C-O 3.57Å; G183-S206 WeakPolarHBondContact CA-O 3.35Å; E184-S206 PolarHBondContact N-O 2.97Å; E184-S206 PolarHBondContact O-N 3.21Å
207P91.4Very high65.9Low78 Ų7899.1 Ų99.151%0.50661%0.612SS.*EExtended strand (participates in β ladder)trans-71.3137.7-179.629.2-34000111.4Q181Q181-P207 HydrophobicContact CG-CB 4.26Å
208E88.3Confident65.7Low126 Ų12696.7 Ų96.759%0.58961%0.606SS**EExtended strand (participates in β ladder)trans-109.5-51.8179.7-72.3-178.5-178.900112.7H182H182-E208 PolarHBondContact O-N 3.16Å
209C86.6Confident66.1Low72 Ų7298.8 Ų98.849%0.48661%0.613SS.*EExtended strand (participates in β ladder)trans-149.8161.2178.474.60000112.7Q181 H182Q181-C209 WeakPolarHBondContact CA-O 3.21Å; H182-C209 PolarHBondContact N-O 2.85Å; H182-C209 PolarHBondContact O-N 3.45Å
210I82.9Confident66.1Low119 Ų11997.1 Ų97.161%0.6161%0.607SS**EExtended strand (participates in β ladder)trans-120.9127.2175.2-61.6173.4000107.8E180 Q181E180-I210 CarbonylContact O-C 3.53Å; E180-I210 VanDerWaalsContact O-CA 3.3Å; E180-I210 WeakPolarHBondContact O-CA 3.49Å; Q181-I210 HydrophobicContact CB-CG1 4.26Å; Q181-I210 HydrophobicContact CG-CG1 4.09Å
211T79.7Confident65.9Low63 Ų6399 Ų9939%0.38761%0.607SS.*EExtended strand (participates in β ladder)trans-82.8128.2172.2-28.40000108.8E180 H182E180-T211 PolarHBondContact O-N 2.91Å; H182-T211 PolarHBondContact NE2-OG1 3.27Å
212S58.4Low65.4Low98 Ų98104.5 Ų104.569%0.68561%0.614SS**  trans-65.6153.2177.954.40000112S214S212-S214 PolarHBondContact O-N 2.79Å; S212-S214 VanDerWaalsContact O-N 3.16Å
213L59.7Low64.2Low109 Ų109109 Ų10957%0.57163%0.625SS**  trans-40117.8176.9-67.3166.1000111.8I177 C179I177-L213 HydrophobicContact CB-CD2 4.5Å; I177-L213 WeakPolarHBondContact O-CD2 3.47Å; C179-L213 WeakPolarHBondContact SG-CD2 3.37Å
214S52.3Low62.4Low89 Ų89114.8 Ų114.862%0.62265%0.646SS**  trans-66.5125.9163.3-68.90000107.7S212 V216S212-S214 PolarHBondContact O-N 2.79Å; S212-S214 VanDerWaalsContact O-N 3.16Å; S214-V216 PolarHBondContact O-N 2.83Å
215P46.3Very low60.4Low114 Ų114116.1 Ų116.174%0.7466%0.655SS**  trans-59.6127.3177.422.7-30.4000108.9V217P215-V217 PolarHBondContact O-N 2.83Å
216V45.7Very low58.2Low136 Ų136122.8 Ų122.882%0.82469%0.688SS**  trans-55.3110.2173.2-179.70000107.4S214 P218S214-V216 PolarHBondContact O-N 2.83Å; V216-P218 WeakPolarHBondContact O-CD 3.42Å
217V46.6Very low56Low128 Ų128129.4 Ų129.478%0.77671%0.713SS**  trans-78.1108.8167.6-177.10000105.5P215P215-V217 PolarHBondContact O-N 2.83Å
218P41.1Very low53.8Low95 Ų95138.2 Ų138.262%0.61775%0.748SS**PPolyproline II helixtrans-60.9145.2175.325.7-32.4000109.1V216 A220V216-P218 WeakPolarHBondContact O-CD 3.42Å; P218-A220 PolarHBondContact O-N 2.95Å
219P43.2Very low52.1Low121 Ų121138.8 Ų138.879%0.78676%0.756SS**PPolyproline II helixtrans-55.6132.7174.623.7-32000109K221P219-K221 PolarHBondContact O-N 2.94Å
220A41.8Very low50.3Low95 Ų95142.3 Ų142.379%0.78577%0.77SS**PPolyproline II helixtrans-53.4124.117700000108.6P218 E222P218-A220 PolarHBondContact O-N 2.95Å; A220-E222 PolarHBondContact O-N 3.15Å; A220-E222 VanDerWaalsContact O-N 3.09Å
221K42.8Very low48.5Very low196 Ų196143.6 Ų143.685%0.85278%0.779SS**  trans-63.4112169.3-67.9-176.4177.6-175.70106.7P219 N223P219-K221 PolarHBondContact O-N 2.94Å; K221-N223 PolarHBondContact O-N 2.79Å
222E43.8Very low46.6Very low187 Ų187148.4 Ų148.487%0.87480%0.802SS**  trans-60.5116.5163.1-77.6177.1153.800107A220 E224A220-E222 PolarHBondContact O-N 3.15Å; A220-E222 VanDerWaalsContact O-N 3.09Å; E222-E224 PolarHBondContact O-N 2.92Å
223N41.3Very low45.9Very low151 Ų151151.5 Ų151.581%0.80781%0.809SS**  trans-69.5106.5168.4-76.4-27.5000107K221 E225K221-N223 PolarHBondContact O-N 2.79Å; N223-E225 PolarHBondContact O-N 2.89Å; N223-E225 VanDerWaalsContact O-N 3.13Å
224E43.5Very low45Very low187 Ų187154.3 Ų154.387%0.87483%0.825SS**  trans-69.199.2157.1-74.8-178.8155.800107.2E222 E226E222-E224 PolarHBondContact O-N 2.92Å; E224-E226 PolarHBondContact O-N 3.44Å
225E47.4Very low44.4Very low176 Ų176159 Ų15982%0.82284%0.839SS**  trans-68.8107.1161.6-77.5-177.1156.900108.1N223 Q227N223-E225 PolarHBondContact O-N 2.89Å; N223-E225 VanDerWaalsContact O-N 3.13Å; E225-Q227 PolarHBondContact O-N 3.24Å; E225-Q227 VanDerWaalsContact O-N 3.15Å
226E46.6Very low44.3Very low188 Ų188162.5 Ų162.588%0.87985%0.847SS**  trans-56111.3162.1-80-179.1140.400109.1E224 Q228E224-E226 PolarHBondContact O-N 3.44Å; E226-Q228 PolarHBondContact O-N 3.25Å
227Q45.8Very low44.2Very low189 Ų189164.7 Ų164.788%0.88385%0.849SS**  trans-77.9116.7162.5-70.1-178.614.600108.5E225E225-Q227 PolarHBondContact O-N 3.24Å; E225-Q227 VanDerWaalsContact O-N 3.15Å
228Q46.2Very low44Very low263 Ų263168 Ų168100%1.22986%0.855SS**  trans-74.60161.1-73.9180-0.300111.1E226E226-Q228 PolarHBondContact O-N 3.25Å

Retrieved 228 of 228 residues in 275.3 ms (Link to these results)

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