A0A060YTD4_ONCMY Loading...

Distal membrane arm assembly component 2 like

AlphaFold DB , UniProt , Accession A0A060YTD4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene dmac2l, Length 199 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
1M40.5Very low41.5Very low240 Ų240165.7 Ų165.7100%1.18288%0.88SS**  0118.80-86172.3170.600108.2L3M1-L3 PolarHBondContact O-N 2.86Å
2R40.3Very low41.8Very low253 Ų253162.8 Ų162.896%0.95587%0.872SS**  trans-71.6110.7-179.8-72176.7176.8176.4-1.8108.9
3L41.8Very low41.8Very low168 Ų168163 Ų16388%0.8887%0.872SS**  trans-89110.9169.6-75.4162.7000107.7M1 S5M1-L3 PolarHBondContact O-N 2.86Å; L3-S5 PolarHBondContact O-N 3.36Å
4L42.7Very low41.6Very low169 Ų169159.6 Ų159.689%0.88587%0.867SS**  trans-62117.7170.8-71.2160.7000108.4
5S42.8Very low41.9Very low106 Ų106155.5 Ų155.574%0.74186%0.856SS**  trans-65.1127.9169.9460000109.2L3 P7L3-S5 PolarHBondContact O-N 3.36Å; S5-P7 VanDerWaalsContact C-CD 3.48Å; S5-P7 VanDerWaalsContact O-CD 3.23Å; S5-P7 WeakPolarHBondContact O-CD 3.39Å
6K45.5Very low41.8Very low213 Ų213156.9 Ų156.993%0.92685%0.854SS**  trans-8799.7168.1-73.4-178174.9-179.20108.6
7P45.9Very low41.5Very low114 Ų114158.2 Ų158.274%0.7485%0.85SS**  trans-142.779.4139.535.7-17.6000109.8S5S5-P7 VanDerWaalsContact C-CD 3.48Å; S5-P7 VanDerWaalsContact O-CD 3.23Å; S5-P7 WeakPolarHBondContact O-CD 3.39Å
8A43Very low41.2Very low92 Ų92155.7 Ų155.776%0.7684%0.841SS**SBendtrans-152.429176.300000113.5
9L38.7Very low41.2Very low179 Ų179157.1 Ų157.194%0.93784%0.841SS**SBendtrans-137.918179.6-102.8151.8000113.5
10Q36.1Very low41.6Very low199 Ų199157.7 Ų157.793%0.9384%0.838SS**SBendtrans-122.734.4175.2-153.7166.49.100111.1
11A38.8Very low42Very low90 Ų90153 Ų15374%0.74483%0.827SS**SBendtrans-136.442179.500000111.2
12V45.1Very low42.9Very low130 Ų130146.4 Ų146.479%0.78881%0.805SS**SBendtrans-148.4134.8159.9-173.50000104.7
13L41.9Very low44.4Very low166 Ų166143.1 Ų143.187%0.86979%0.793SS**  trans92.839-168.7-48.2171.4000115.8S15L13-S15 PolarHBondContact O-N 3.02Å
14S39.2Very low46.3Very low115 Ų115139.5 Ų139.580%0.80478%0.779SS**  trans-8374.6140.761.20000107.8Q16S14-Q16 PolarHBondContact O-N 3.1Å
15S45.9Very low48.4Very low99 Ų99136.8 Ų136.869%0.69276%0.761SS**  trans-58.1112.2159.6170.70000106.2L13 K17L13-S15 PolarHBondContact O-N 3.02Å; S15-K17 VanDerWaalsContact C-N 3.27Å; S15-K17 PolarHBondContact O-N 2.76Å
16Q41.2Very low50.5Low177 Ų177138.2 Ų138.283%0.82775%0.75SS**  trans-57.597.4168.7-73.5175.4-2300106.8S14 T18S14-Q16 PolarHBondContact O-N 3.1Å; Q16-T18 VanDerWaalsContact C-N 3.25Å; Q16-T18 PolarHBondContact O-N 3.43Å
17K36.7Very low52.3Low180 Ų180130.2 Ų130.278%0.78373%0.727SS**  trans-64.398.9157.3-78.6-177.4176.7179.90105.6S15 H19S15-K17 VanDerWaalsContact C-N 3.27Å; S15-K17 PolarHBondContact O-N 2.76Å; K17-H19 VanDerWaalsContact C-N 3.35Å; K17-H19 PolarHBondContact O-N 3.5Å
18T36.1Very low54.4Low113 Ų113131.9 Ų131.969%0.69372%0.719SS**  trans-55.6108.3157.445.10000105.6Q16 E20Q16-T18 VanDerWaalsContact C-N 3.25Å; Q16-T18 PolarHBondContact O-N 3.43Å; T18-E20 PolarHBondContact O-N 2.88Å
19H40.6Very low56.6Low181 Ų181129.3 Ų129.384%0.83869%0.693SS**  trans-69.673.8164.2-94.1-82.9000106.8K17 G21K17-H19 VanDerWaalsContact C-N 3.35Å; K17-H19 PolarHBondContact O-N 3.5Å; H19-G21 PolarHBondContact O-N 2.83Å
20E49.9Very low59Low170 Ų170122 Ų12279%0.79465%0.654SS**  trans-64.199.5152.7-78.6-176.2176.900105.2T18 S22T18-E20 PolarHBondContact O-N 2.88Å; E20-S22 VanDerWaalsContact C-N 3.25Å; E20-S22 PolarHBondContact O-N 3.49Å
21G50.4Low61.5Low59 Ų59113.5 Ų113.561%0.60862%0.618SS**  trans-56.999.2168.500000107.1H19 R23H19-G21 PolarHBondContact O-N 2.83Å; G21-R23 PolarHBondContact O-N 2.73Å
22S59.4Low64.1Low102 Ų102112.3 Ų112.371%0.71360%0.602SS**  trans-53.9112.1171.5179.10000105.9E20 P24E20-S22 VanDerWaalsContact C-N 3.25Å; E20-S22 PolarHBondContact O-N 3.49Å; S22-P24 WeakPolarHBondContact O-CD 3.45Å
23R71.1Confident66.4Low183 Ų183109.8 Ų109.869%0.69158%0.58SS**  trans-98.170.8170.5-72-176.2-178.8-159.23.4106.4G21 F25 W26 G27G21-R23 PolarHBondContact O-N 2.73Å; R23-F25 PolarHBondContact O-N 3.48Å; R23-W26 HydrophobicContact CB-CB 4.02Å; R23-W26 HydrophobicContact CB-CG 4.38Å; R23-W26 PolarHBondContact O-N 2.89Å; R23-W26 VanDerWaalsContact O-N 3.09Å; R23-G27 PolarHBondContact O-N 3.3Å
24P80.8Confident69.1Low93 Ų93101.9 Ų101.960%0.60454%0.539SS*.Hα-helixtrans-59.8-35.7-170.324.8-35.5000111.4S22 W28S22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-W28 WeakPolarHBondContact O-CB 3.17Å; P24-W28 PolarHBondContact O-N 3.46Å
25F87.6Confident71.8Confident112 Ų112103.5 Ų103.549%0.49153%0.531SS..Hα-helixtrans-62.6-51.4174.6174.5-100.3000112.5R23 W28 L29R23-F25 PolarHBondContact O-N 3.48Å; F25-W28 HydrophobicContact CD2-CE3 4.12Å; F25-W28 HydrophobicContact CD2-CZ3 4.35Å; F25-W28 HydrophobicContact CE2-CE3 4.09Å; F25-W28 AromaticContact CE2-CZ3 3.89Å; F25-W28 HydrophobicContact CE2-CZ3 3.89Å; F25-W28 PolarHBondContact O-N 2.87Å; F25-L29 HydrophobicContact CE1-CD2 4.22Å; F25-L29 HydrophobicContact CZ-CD2 4.35Å; F25-L29 WeakPolarHBondContact O-CB 3.45Å; F25-L29 PolarHBondContact O-N 3.04Å
26W86.3Confident74.2Confident136 Ų13699.4 Ų99.452%0.51550%0.502SS..Hα-helixtrans-68.2-36.9-178.1-65.9110000112R23 L29 N30R23-W26 HydrophobicContact CB-CB 4.02Å; R23-W26 HydrophobicContact CB-CG 4.38Å; R23-W26 PolarHBondContact O-N 2.89Å; R23-W26 VanDerWaalsContact O-N 3.09Å; W26-L29 HydrophobicContact CE3-CD2 3.77Å; W26-L29 HydrophobicContact CZ3-CD2 3.64Å; W26-L29 PolarHBondContact O-N 3.14Å; W26-N30 PolarHBondContact O-N 3.38Å
27G84.2Confident76.9Confident44 Ų4495 Ų9545%0.45449%0.485SS..Hα-helixtrans-63.3-42.9171.800000112.5R23 A31R23-G27 PolarHBondContact O-N 3.3Å; G27-A31 WeakPolarHBondContact O-CB 3.29Å; G27-A31 PolarHBondContact O-N 3.03Å; G27-A31 VanDerWaalsContact O-N 3.09Å
28W90.4Very high79.8Confident149 Ų14993 Ų9356%0.56447%0.473SS*.Hα-helixtrans-62.2-46.1173.1168.581.7000111.8P24 F25 N30 A31 V32P24-W28 WeakPolarHBondContact O-CB 3.17Å; P24-W28 PolarHBondContact O-N 3.46Å; F25-W28 HydrophobicContact CD2-CE3 4.12Å; F25-W28 HydrophobicContact CD2-CZ3 4.35Å; F25-W28 HydrophobicContact CE2-CE3 4.09Å; F25-W28 AromaticContact CE2-CZ3 3.89Å; F25-W28 HydrophobicContact CE2-CZ3 3.89Å; F25-W28 PolarHBondContact O-N 2.87Å; W28-N30 PolarHBondContact O-N 3.27Å; W28-A31 WeakPolarHBondContact O-CB 3.35Å; W28-A31 PolarHBondContact O-N 2.94Å; W28-A31 VanDerWaalsContact O-N 3.16Å; W28-V32 HydrophobicContact CD2-CG2 4.16Å; W28-V32 HydrophobicContact CG-CG2 4.49Å; W28-V32 HydrophobicContact CZ2-CG2 3.86Å; W28-V32 WeakPolarHBondContact O-CG2 3.38Å; W28-V32 PolarHBondContact O-N 3.25Å
29L89.5Confident82.7Confident39 Ų3993.9 Ų93.920%0.20447%0.469CS..Hα-helixtrans-60.3-48.1-178.8-173.166.4000111.2F25 W26 A31 V32 F33F25-L29 HydrophobicContact CE1-CD2 4.22Å; F25-L29 HydrophobicContact CZ-CD2 4.35Å; F25-L29 WeakPolarHBondContact O-CB 3.45Å; F25-L29 PolarHBondContact O-N 3.04Å; W26-L29 HydrophobicContact CE3-CD2 3.77Å; W26-L29 HydrophobicContact CZ3-CD2 3.64Å; W26-L29 PolarHBondContact O-N 3.14Å; L29-A31 VanDerWaalsContact C-N 3.29Å; L29-A31 PolarHBondContact O-N 2.88Å; L29-V32 PolarHBondContact O-N 2.96Å; L29-V32 VanDerWaalsContact O-N 3.13Å; L29-F33 HydrophobicContact CD1-CD2 4Å; L29-F33 HydrophobicContact CD1-CE2 3.6Å; L29-F33 HydrophobicContact CG-CD2 4.12Å; L29-F33 HydrophobicContact CG-CE2 3.97Å; L29-F33 VanDerWaalsContact O-CD2 3.29Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 PolarHBondContact O-N 2.95Å
30N88.3Confident85.4Confident24 Ų2489.8 Ų89.813%0.12845%0.446CS..Hα-helixtrans-61.4-38.6176.4-70.9-12.9000112W26 W28 V32 F33 N34 M97 Y120W26-N30 PolarHBondContact O-N 3.38Å; W28-N30 PolarHBondContact O-N 3.27Å; N30-V32 VanDerWaalsContact C-N 3.34Å; N30-F33 PolarHBondContact O-N 2.94Å; N30-N34 WeakPolarHBondContact O-CB 3.49Å; N30-N34 PolarHBondContact O-N 3.49Å; N30-N34 VanDerWaalsContact O-N 3.08Å; N30-N34 PolarHBondContact O-ND2 3.18Å; N30-M97 HydrophobicContact CB-SD 4.48Å; N30-Y120 PolarHBondContact ND2-OH 2.72Å
31A89.1Confident87.7Confident21 Ų2183.4 Ų83.417%0.17442%0.417CS..Hα-helixtrans-65.3-36.8175.800000112.4G27 W28 L29 K35 K99G27-A31 WeakPolarHBondContact O-CB 3.29Å; G27-A31 PolarHBondContact O-N 3.03Å; G27-A31 VanDerWaalsContact O-N 3.09Å; W28-A31 WeakPolarHBondContact O-CB 3.35Å; W28-A31 PolarHBondContact O-N 2.94Å; W28-A31 VanDerWaalsContact O-N 3.16Å; L29-A31 VanDerWaalsContact C-N 3.29Å; L29-A31 PolarHBondContact O-N 2.88Å; A31-K35 PolarHBondContact O-N 3.1Å; A31-K99 HydrophobicContact CB-CD 4.1Å
32V93Very high90Very high66 Ų6688.7 Ų88.740%0.442%0.424SS..Hα-helixtrans-69.1-44.7175.7170.90000110.9W28 L29 N30 N34 K35W28-V32 HydrophobicContact CD2-CG2 4.16Å; W28-V32 HydrophobicContact CG-CG2 4.49Å; W28-V32 HydrophobicContact CZ2-CG2 3.86Å; W28-V32 WeakPolarHBondContact O-CG2 3.38Å; W28-V32 PolarHBondContact O-N 3.25Å; L29-V32 PolarHBondContact O-N 2.96Å; L29-V32 VanDerWaalsContact O-N 3.13Å; N30-V32 VanDerWaalsContact C-N 3.34Å; V32-N34 PolarHBondContact O-N 3.14Å; V32-K35 WeakPolarHBondContact O-CB 3.36Å; V32-K35 PolarHBondContact O-N 3.47Å
33F93.4Very high91.7Very high76 Ų7686.7 Ų86.733%0.33341%0.413SS..Hα-helixtrans-58.8-36.1177.5-89.2-123.3000112L29 N30 R56L29-F33 HydrophobicContact CD1-CD2 4Å; L29-F33 HydrophobicContact CD1-CE2 3.6Å; L29-F33 HydrophobicContact CG-CD2 4.12Å; L29-F33 HydrophobicContact CG-CE2 3.97Å; L29-F33 VanDerWaalsContact O-CD2 3.29Å; L29-F33 WeakPolarHBondContact O-CD2 3.48Å; L29-F33 PolarHBondContact O-N 2.95Å; N30-F33 PolarHBondContact O-N 2.94Å; F33-R56 HydrophobicContact CD1-CG 4.45Å; F33-R56 WeakPolarHBondContact CD1-O 3.3Å; F33-R56 WeakPolarHBondContact CE1-O 3.48Å; F33-R56 VanDerWaalsContact O-CZ 3.25Å; F33-R56 PolarHBondContact O-NE 2.87Å; F33-R56 PolarHBondContact O-NH2 3.35Å
34N97.6Very high92.9Very high0 Ų079 Ų790%039%0.386CS..Hα-helixtrans-88.1-7.5177.9-76.1-81.8000114.1N30 V32 V36 W53 C95 I96 M97 K99 G100N30-N34 WeakPolarHBondContact O-CB 3.49Å; N30-N34 PolarHBondContact O-N 3.49Å; N30-N34 VanDerWaalsContact O-N 3.08Å; N30-N34 PolarHBondContact O-ND2 3.18Å; V32-N34 PolarHBondContact O-N 3.14Å; N34-V36 PolarHBondContact O-N 3.18Å; N34-W53 PolarHBondContact OD1-NE1 3.08Å; N34-C95 PolarHBondContact ND2-O 3.1Å; N34-I96 WeakPolarHBondContact OD1-CA 3.38Å; N34-M97 HydrophobicContact CB-CG 3.88Å; N34-M97 HydrophobicContact CB-SD 4.46Å; N34-M97 PolarHBondContact OD1-N 3.31Å; N34-K99 HydrophobicContact CB-CB 4.17Å; N34-K99 CarbonylContact O-C 3.53Å; N34-G100 WeakPolarHBondContact O-CA 3.45Å; N34-G100 PolarHBondContact O-N 3.15Å
35K96.8Very high93.8Very high149 Ų14975.5 Ų75.565%0.64837%0.367SS*.  trans-62.7133.4-178.3-174.4179.1176.2-174.40110.6A31 V32 R56 H103A31-K35 PolarHBondContact O-N 3.1Å; V32-K35 WeakPolarHBondContact O-CB 3.36Å; V32-K35 PolarHBondContact O-N 3.47Å; K35-R56 PolarHBondContact O-NH2 3.49Å; K35-H103 PolarHBondContact O-CE1 2.8Å
36V96.9Very high94.3Very high14 Ų1471.9 Ų71.99%0.08536%0.355CS..  trans-77.1129.5175.2-174.80000110.2N34 Y38 I41 D102 H103N34-V36 PolarHBondContact O-N 3.18Å; V36-Y38 HydrophobicContact CB-CE2 4.1Å; V36-Y38 HydrophobicContact CG1-CD1 4.05Å; V36-Y38 HydrophobicContact CG1-CD2 4.21Å; V36-Y38 HydrophobicContact CG1-CE1 3.79Å; V36-Y38 HydrophobicContact CG1-CE2 3.96Å; V36-Y38 HydrophobicContact CG1-CG 4.26Å; V36-I41 HydrophobicContact CG1-CD1 3.65Å; V36-D102 HydrophobicContact CG2-CB 3.76Å; V36-H103 WeakPolarHBondContact CA-CE1 3.25Å; V36-H103 WeakPolarHBondContact CG2-ND1 3.31Å
37D96.5Very high94.8Very high85 Ų8565.7 Ų65.746%0.45533%0.332SS..  trans-105.795.7171.7-173.4-18.6000109E39 R40 I41D37-E39 VanDerWaalsContact C-N 3.29Å; D37-E39 PolarHBondContact O-N 3Å; D37-E39 PolarHBondContact OD1-N 2.91Å; D37-E39 VanDerWaalsContact OD1-N 3.1Å; D37-R40 HydrophobicContact CB-CB 3.76Å; D37-R40 WeakPolarHBondContact O-CB 3.28Å; D37-R40 PolarHBondContact O-N 2.99Å; D37-R40 VanDerWaalsContact O-N 3.17Å; D37-R40 PolarHBondContact OD1-N 3.41Å; D37-I41 PolarHBondContact O-N 2.67Å
38Y97.6Very high95.5Very high136 Ų13666.8 Ų66.853%0.53332%0.322SS..Hα-helixtrans-66.7-29.4-178.7-66.1-77.7000113V36 R40 I41 K42 D102V36-Y38 HydrophobicContact CB-CE2 4.1Å; V36-Y38 HydrophobicContact CG1-CD1 4.05Å; V36-Y38 HydrophobicContact CG1-CD2 4.21Å; V36-Y38 HydrophobicContact CG1-CE1 3.79Å; V36-Y38 HydrophobicContact CG1-CE2 3.96Å; V36-Y38 HydrophobicContact CG1-CG 4.26Å; Y38-R40 VanDerWaalsContact C-N 3.33Å; Y38-I41 HydrophobicContact CD1-CD1 4.27Å; Y38-I41 PolarHBondContact O-N 2.85Å; Y38-K42 WeakPolarHBondContact O-CB 3.37Å; Y38-K42 PolarHBondContact O-N 3.49Å; Y38-D102 PolarHBondContact OH-OD2 2.66Å
39E98.1Very high95.9Very high132 Ų13259.8 Ų59.862%0.61730%0.296SS*.Hα-helixtrans-70-36.3173.7-66.2-57.1142.100110.4D37 K42 A43D37-E39 VanDerWaalsContact C-N 3.29Å; D37-E39 PolarHBondContact O-N 3Å; D37-E39 PolarHBondContact OD1-N 2.91Å; D37-E39 VanDerWaalsContact OD1-N 3.1Å; E39-K42 PolarHBondContact O-N 3.36Å; E39-A43 WeakPolarHBondContact O-CB 3.31Å; E39-A43 PolarHBondContact O-N 3.06Å
40R97.3Very high96.3Very high95 Ų9557.9 Ų57.936%0.35829%0.286SS..Hα-helixtrans-62.9-47.1171.8-171.959.1173176.92.3111.3D37 Y38 K42 A43 V44 A49 E52D37-R40 HydrophobicContact CB-CB 3.76Å; D37-R40 WeakPolarHBondContact O-CB 3.28Å; D37-R40 PolarHBondContact O-N 2.99Å; D37-R40 VanDerWaalsContact O-N 3.17Å; D37-R40 PolarHBondContact OD1-N 3.41Å; Y38-R40 VanDerWaalsContact C-N 3.33Å; R40-K42 VanDerWaalsContact C-N 3.28Å; R40-K42 PolarHBondContact O-N 3.45Å; R40-A43 PolarHBondContact O-N 3.2Å; R40-V44 HydrophobicContact CG-CG2 4.06Å; R40-V44 VanDerWaalsContact CZ-CG1 3.5Å; R40-V44 VanDerWaalsContact O-CG2 3.28Å; R40-V44 WeakPolarHBondContact O-CG2 3.48Å; R40-V44 PolarHBondContact O-N 3Å; R40-A49 HydrophobicContact CG-CB 4.38Å; R40-E52 IonicContact CZ-OE1 3.64Å; R40-E52 IonicContact CZ-OE2 3.5Å; R40-E52 IonicContact NE-OE1 3.7Å; R40-E52 IonicContact NE-OE2 2.81Å; R40-E52 PolarHBondContact NE-OE2 2.95Å; R40-E52 IonicContact NH2-OE1 2.74Å; R40-E52 PolarHBondContact NH2-OE1 2.87Å; R40-E52 IonicContact NH2-OE2 3.33Å; R40-E52 PolarHBondContact NH2-OE2 3.19Å
41I97.9Very high96.8Very high37 Ų3756.8 Ų56.819%0.1928%0.28CS..Hα-helixtrans-55.2-45.9175.8-67.5168.5000110.7V36 D37 Y38 A43 G45 P46 A49V36-I41 HydrophobicContact CG1-CD1 3.65Å; D37-I41 PolarHBondContact O-N 2.67Å; Y38-I41 HydrophobicContact CD1-CD1 4.27Å; Y38-I41 PolarHBondContact O-N 2.85Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.11Å; I41-G45 CarbonylContact O-C 3.42Å; I41-G45 WeakPolarHBondContact O-CA 3.46Å; I41-G45 PolarHBondContact O-N 3Å; I41-P46 HydrophobicContact CG2-CB 4.47Å; I41-A49 HydrophobicContact CB-CB 4.35Å; I41-A49 HydrophobicContact CG1-CB 3.58Å
42K97.3Very high97.2Very high170 Ų17056 Ų5674%0.73927%0.273SS*.Hα-helixtrans-62.7-36.9177.3-174.9179.5177-175.20112.9Y38 E39 R40Y38-K42 WeakPolarHBondContact O-CB 3.37Å; Y38-K42 PolarHBondContact O-N 3.49Å; E39-K42 PolarHBondContact O-N 3.36Å; R40-K42 VanDerWaalsContact C-N 3.28Å; R40-K42 PolarHBondContact O-N 3.45Å
43A96.8Very high97.5Very high59 Ų5952.9 Ų52.949%0.48825%0.254SS..Hα-helixtrans-77.4-37.7-176.800000113.8E39 R40 I41E39-A43 WeakPolarHBondContact O-CB 3.31Å; E39-A43 PolarHBondContact O-N 3.06Å; R40-A43 PolarHBondContact O-N 3.2Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.11Å
44V96.5Very high97.8Very high22 Ų2249.3 Ų49.313%0.13324%0.239CC..Hα-helixtrans-118.3-6.4-172.4-57.80000115R40 R48 A49 L81R40-V44 HydrophobicContact CG-CG2 4.06Å; R40-V44 VanDerWaalsContact CZ-CG1 3.5Å; R40-V44 VanDerWaalsContact O-CG2 3.28Å; R40-V44 WeakPolarHBondContact O-CG2 3.48Å; R40-V44 PolarHBondContact O-N 3Å; V44-R48 HydrophobicContact CB-CB 4Å; V44-R48 HydrophobicContact CB-CG 3.7Å; V44-R48 HydrophobicContact CG2-CB 3.79Å; V44-R48 HydrophobicContact CG2-CG 3.57Å; V44-R48 WeakPolarHBondContact O-CB 3.45Å; V44-A49 HydrophobicContact CG2-CB 4.16Å; V44-L81 HydrophobicContact CB-CD2 4.49Å
45G97.8Very high97.8Very high19 Ų1949.8 Ų49.820%0.19624%0.242CC..  trans85.5162.4-173.700000113I41 R48 A49I41-G45 CarbonylContact O-C 3.42Å; I41-G45 WeakPolarHBondContact O-CA 3.46Å; I41-G45 PolarHBondContact O-N 3Å; G45-R48 PolarHBondContact O-N 2.94Å; G45-A49 WeakPolarHBondContact O-CB 3.44Å; G45-A49 PolarHBondContact O-N 3.13Å; G45-A49 VanDerWaalsContact O-N 3.13Å
46P98.1Very high97.9Very high37 Ų3746.4 Ų46.424%0.2423%0.225CC..Hα-helixtrans-65-47.1-173.225.3-34000112.7I41 R48 A49 A50 G106 L107I41-P46 HydrophobicContact CG2-CB 4.47Å; P46-R48 VanDerWaalsContact C-N 3.31Å; P46-R48 PolarHBondContact O-N 2.85Å; P46-A49 PolarHBondContact O-N 3.22Å; P46-A50 VanDerWaalsContact O-CB 3.28Å; P46-A50 WeakPolarHBondContact O-CB 3.33Å; P46-A50 PolarHBondContact O-N 2.79Å; P46-G106 WeakPolarHBondContact CB-O 3.4Å; P46-G106 WeakPolarHBondContact CG-O 3.47Å; P46-L107 HydrophobicContact CB-CD2 4.21Å
47D98.4Very high97.9Very high5 Ų546 Ų463%0.02722%0.222CC..Hα-helixtrans-56.1-44.6179.5-66.1-85.3000112.6A51 Y84 K85 I86 L107D47-A51 VanDerWaalsContact O-CB 3.3Å; D47-A51 WeakPolarHBondContact O-CB 3.3Å; D47-A51 PolarHBondContact O-N 2.91Å; D47-Y84 WeakPolarHBondContact CB-O 3.43Å; D47-K85 WeakPolarHBondContact OD1-CA 3.5Å; D47-K85 WeakPolarHBondContact OD2-CD 3.28Å; D47-K85 IonicContact OD2-NZ 3.12Å; D47-K85 PolarHBondContact OD2-NZ 3.2Å; D47-I86 HydrophobicContact CB-CG1 4.38Å; D47-I86 WeakPolarHBondContact O-CD1 3.37Å; D47-I86 PolarHBondContact OD1-N 3.21Å; D47-L107 VanDerWaalsContact CA-CD2 3.5Å; D47-L107 HydrophobicContact CB-CD2 4.3Å
48R98.1Very high98Very high67 Ų6744.1 Ų44.125%0.25322%0.224SC..Hα-helixtrans-70.2-43.9-179177.458.5-173.7-128.81.9111.5V44 G45 P46 A51 E52 P77V44-R48 HydrophobicContact CB-CB 4Å; V44-R48 HydrophobicContact CB-CG 3.7Å; V44-R48 HydrophobicContact CG2-CB 3.79Å; V44-R48 HydrophobicContact CG2-CG 3.57Å; V44-R48 WeakPolarHBondContact O-CB 3.45Å; G45-R48 PolarHBondContact O-N 2.94Å; P46-R48 VanDerWaalsContact C-N 3.31Å; P46-R48 PolarHBondContact O-N 2.85Å; R48-A51 PolarHBondContact O-N 3.42Å; R48-E52 IonicContact CZ-OE1 3.26Å; R48-E52 IonicContact NE-OE1 2.95Å; R48-E52 PolarHBondContact NE-OE1 2.89Å; R48-E52 IonicContact NH2-OE1 3.1Å; R48-E52 PolarHBondContact NH2-OE1 2.92Å; R48-E52 VanDerWaalsContact NH2-OE1 3.1Å; R48-E52 WeakPolarHBondContact O-CG 3.43Å; R48-E52 PolarHBondContact O-N 2.97Å; R48-P77 PolarHBondContact NH1-O 3.15Å
49A98.3Very high98Very high2 Ų237.7 Ų37.72%0.01720%0.199CC..Hα-helixtrans-65-39.7178.100000112R40 I41 V44 G45 P46 E52 W53R40-A49 HydrophobicContact CG-CB 4.38Å; I41-A49 HydrophobicContact CB-CB 4.35Å; I41-A49 HydrophobicContact CG1-CB 3.58Å; V44-A49 HydrophobicContact CG2-CB 4.16Å; G45-A49 WeakPolarHBondContact O-CB 3.44Å; G45-A49 PolarHBondContact O-N 3.13Å; G45-A49 VanDerWaalsContact O-N 3.13Å; P46-A49 PolarHBondContact O-N 3.22Å; A49-E52 PolarHBondContact O-N 3.21Å; A49-W53 PolarHBondContact O-N 3.19Å
50A98.7Very high98.1Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-65.7-43174.400000111.8P46 E52 W53 L54 I86 H103 L107P46-A50 VanDerWaalsContact O-CB 3.28Å; P46-A50 WeakPolarHBondContact O-CB 3.33Å; P46-A50 PolarHBondContact O-N 2.79Å; A50-E52 VanDerWaalsContact C-N 3.31Å; A50-E52 PolarHBondContact O-N 2.93Å; A50-W53 PolarHBondContact O-N 3.26Å; A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 WeakPolarHBondContact O-CD1 3.27Å; A50-L54 VanDerWaalsContact O-CG 3.24Å; A50-L54 WeakPolarHBondContact O-CG 3.27Å; A50-L54 PolarHBondContact O-N 3.09Å; A50-I86 HydrophobicContact CB-CD1 3.86Å; A50-H103 HydrophobicContact CB-CB 4.2Å; A50-L107 HydrophobicContact CB-CD1 3.9Å; A50-L107 HydrophobicContact CB-CD2 3.93Å; A50-L107 HydrophobicContact CB-CG 4.34Å
51A98.5Very high98.1Very high0 Ų030.2 Ų30.20%017%0.166CC..Hα-helixtrans-60.3-41175.300000112.2D47 R48 T55 V61 F63 L76 I86D47-A51 VanDerWaalsContact O-CB 3.3Å; D47-A51 WeakPolarHBondContact O-CB 3.3Å; D47-A51 PolarHBondContact O-N 2.91Å; R48-A51 PolarHBondContact O-N 3.42Å; A51-T55 WeakPolarHBondContact O-CB 3.46Å; A51-T55 WeakPolarHBondContact O-CG2 3.42Å; A51-T55 PolarHBondContact O-N 2.83Å; A51-T55 PolarHBondContact O-OG1 3.23Å; A51-V61 HydrophobicContact CB-CG2 4.01Å; A51-F63 HydrophobicContact CB-CE1 4.38Å; A51-F63 HydrophobicContact CB-CZ 3.91Å; A51-L76 HydrophobicContact CB-CD1 4.19Å; A51-L76 HydrophobicContact CB-CD2 4.07Å; A51-I86 HydrophobicContact CB-CD1 4.2Å
52E98.4Very high98.2Very high4 Ų430 Ų302%0.01916%0.163CC..Hα-helixtrans-62.1-43.6174.2-76.1175.3-17900111.8R40 R48 A49 A50 T55 R56 Y73 L76R40-E52 IonicContact CZ-OE1 3.64Å; R40-E52 IonicContact CZ-OE2 3.5Å; R40-E52 IonicContact NE-OE1 3.7Å; R40-E52 IonicContact NE-OE2 2.81Å; R40-E52 PolarHBondContact NE-OE2 2.95Å; R40-E52 IonicContact NH2-OE1 2.74Å; R40-E52 PolarHBondContact NH2-OE1 2.87Å; R40-E52 IonicContact NH2-OE2 3.33Å; R40-E52 PolarHBondContact NH2-OE2 3.19Å; R48-E52 IonicContact CZ-OE1 3.26Å; R48-E52 IonicContact NE-OE1 2.95Å; R48-E52 PolarHBondContact NE-OE1 2.89Å; R48-E52 IonicContact NH2-OE1 3.1Å; R48-E52 PolarHBondContact NH2-OE1 2.92Å; R48-E52 VanDerWaalsContact NH2-OE1 3.1Å; R48-E52 WeakPolarHBondContact O-CG 3.43Å; R48-E52 PolarHBondContact O-N 2.97Å; A49-E52 PolarHBondContact O-N 3.21Å; A50-E52 VanDerWaalsContact C-N 3.31Å; A50-E52 PolarHBondContact O-N 2.93Å; E52-T55 PolarHBondContact O-OG1 3.26Å; E52-R56 WeakPolarHBondContact O-CB 3.16Å; E52-R56 VanDerWaalsContact O-CG 3.26Å; E52-R56 WeakPolarHBondContact O-CG 3.35Å; E52-R56 PolarHBondContact O-N 3.13Å; E52-R56 VanDerWaalsContact O-N 3.1Å; E52-Y73 HydrophobicContact CB-CE2 3.69Å; E52-Y73 HydrophobicContact CG-CE2 3.84Å; E52-Y73 WeakPolarHBondContact O-CE2 3.2Å; E52-L76 HydrophobicContact CG-CD1 3.85Å
53W98.7Very high98.2Very high1 Ų122.1 Ų22.10%0.00413%0.129CC..Hα-helixtrans-65.5-47.2175.4164.553.9000113.1N34 A49 A50 R56 C57 I96 G100 F101 H103 L104N34-W53 PolarHBondContact OD1-NE1 3.08Å; A49-W53 PolarHBondContact O-N 3.19Å; A50-W53 PolarHBondContact O-N 3.26Å; W53-R56 VanDerWaalsContact O-CG 3.29Å; W53-R56 WeakPolarHBondContact O-CG 3.37Å; W53-C57 WeakPolarHBondContact O-CB 3.4Å; W53-C57 PolarHBondContact O-N 3.42Å; W53-C57 VanDerWaalsContact O-N 3.11Å; W53-C57 PolarHBondContact O-SG 3.1Å; W53-I96 HydrophobicContact CH2-CG2 4.23Å; W53-I96 HydrophobicContact CZ2-CB 3.87Å; W53-I96 HydrophobicContact CZ2-CG2 3.59Å; W53-G100 WeakPolarHBondContact CH2-O 3.37Å; W53-G100 VanDerWaalsContact CZ2-C 3.47Å; W53-G100 WeakPolarHBondContact CZ2-O 3.29Å; W53-F101 AromaticContact CH2-CD1 3.65Å; W53-F101 HydrophobicContact CH2-CD1 3.65Å; W53-F101 HydrophobicContact CH2-CE1 4.02Å; W53-F101 AromaticContact CZ2-CD1 3.9Å; W53-F101 HydrophobicContact CZ2-CD1 3.9Å; W53-F101 HydrophobicContact CZ2-CE1 4.2Å; W53-H103 HydrophobicContact CD2-CB 4.17Å; W53-H103 AromaticContact CD2-CG 3.97Å; W53-H103 AromaticContact CD2-ND1 3.55Å; W53-H103 HydrophobicContact CE3-CB 3.52Å; W53-H103 AromaticContact CE3-CG 3.84Å; W53-H103 AromaticContact CE3-ND1 3.82Å; W53-H103 AromaticContact CG-CE1 3.68Å; W53-H103 AromaticContact CG-ND1 3.63Å; W53-H103 HydrophobicContact CZ3-CB 3.98Å; W53-L104 HydrophobicContact CH2-CG 4.46Å; W53-L104 HydrophobicContact CZ3-CD2 3.84Å; W53-L104 HydrophobicContact CZ3-CG 3.99Å
54L98.8Very high98.2Very high2 Ų222.9 Ų22.91%0.0112%0.123CC..Hα-helixtrans-61.9-49.7-178.4-72.3164.7000110.5A50 C57 G58 A59 V61 I86 I89 I96A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 WeakPolarHBondContact O-CD1 3.27Å; A50-L54 VanDerWaalsContact O-CG 3.24Å; A50-L54 WeakPolarHBondContact O-CG 3.27Å; A50-L54 PolarHBondContact O-N 3.09Å; L54-C57 CarbonylContact O-C 3.57Å; L54-C57 PolarHBondContact O-N 2.65Å; L54-G58 PolarHBondContact O-N 2.8Å; L54-A59 HydrophobicContact CB-CB 4.06Å; L54-A59 HydrophobicContact CD2-CB 4.11Å; L54-A59 WeakPolarHBondContact O-CA 3.17Å; L54-A59 WeakPolarHBondContact O-CB 3.48Å; L54-A59 PolarHBondContact O-N 3.03Å; L54-V61 HydrophobicContact CB-CG1 3.83Å; L54-V61 HydrophobicContact CD1-CG1 3.41Å; L54-V61 VanDerWaalsContact CD1-CG1 3.41Å; L54-V61 HydrophobicContact CG-CG1 4.24Å; L54-I86 HydrophobicContact CD1-CD1 4.33Å; L54-I89 HydrophobicContact CD1-CD1 3.9Å; L54-I89 HydrophobicContact CD1-CG1 4.01Å; L54-I89 HydrophobicContact CD1-CG2 4.1Å; L54-I89 HydrophobicContact CD2-CG2 3.86Å; L54-I96 HydrophobicContact CD2-CG2 4.21Å
55T98.4Very high98.2Very high10 Ų1025.7 Ų25.76%0.06116%0.156CC..Hα-helixtrans-68.3-38-178.8540000113.5A51 E52 C57 G58 A59 Y73 L76A51-T55 WeakPolarHBondContact O-CB 3.46Å; A51-T55 WeakPolarHBondContact O-CG2 3.42Å; A51-T55 PolarHBondContact O-N 2.83Å; A51-T55 PolarHBondContact O-OG1 3.23Å; E52-T55 PolarHBondContact O-OG1 3.26Å; T55-C57 PolarHBondContact O-N 3.06Å; T55-G58 PolarHBondContact O-N 2.75Å; T55-A59 WeakPolarHBondContact CA-O 3.33Å; T55-Y73 WeakPolarHBondContact OG1-CD2 3.41Å; T55-L76 HydrophobicContact CG2-CD2 4.07Å
56R98.1Very high98.1Very high77 Ų7728.1 Ų28.129%0.29116%0.161SC..Hα-helixtrans-67-23.7174.177.7-174178.8-1291.9112.9F33 K35 E52 W53 G58 Y73F33-R56 HydrophobicContact CD1-CG 4.45Å; F33-R56 WeakPolarHBondContact CD1-O 3.3Å; F33-R56 WeakPolarHBondContact CE1-O 3.48Å; F33-R56 VanDerWaalsContact O-CZ 3.25Å; F33-R56 PolarHBondContact O-NE 2.87Å; F33-R56 PolarHBondContact O-NH2 3.35Å; K35-R56 PolarHBondContact O-NH2 3.49Å; E52-R56 WeakPolarHBondContact O-CB 3.16Å; E52-R56 VanDerWaalsContact O-CG 3.26Å; E52-R56 WeakPolarHBondContact O-CG 3.35Å; E52-R56 PolarHBondContact O-N 3.13Å; E52-R56 VanDerWaalsContact O-N 3.1Å; W53-R56 VanDerWaalsContact O-CG 3.29Å; W53-R56 WeakPolarHBondContact O-CG 3.37Å; R56-G58 VanDerWaalsContact C-N 3.32Å; R56-Y73 HydrophobicContact CB-CD2 4.09Å; R56-Y73 HydrophobicContact CB-CE2 4.32Å
57C98.2Very high97.9Very high5 Ų533.9 Ų33.93%0.03419%0.19CC..THydrogen-bonded Turntrans-87.93.9173.4-74.60000113.6W53 L54 T55 S94 C95 I96W53-C57 WeakPolarHBondContact O-CB 3.4Å; W53-C57 PolarHBondContact O-N 3.42Å; W53-C57 VanDerWaalsContact O-N 3.11Å; W53-C57 PolarHBondContact O-SG 3.1Å; L54-C57 CarbonylContact O-C 3.57Å; L54-C57 PolarHBondContact O-N 2.65Å; T55-C57 PolarHBondContact O-N 3.06Å; C57-S94 WeakPolarHBondContact O-CA 3.33Å; C57-S94 PolarHBondContact O-OG 3.34Å; C57-C95 VanDerWaalsContact CA-SG 3.57Å; C57-C95 PolarHBondContact O-N 3.39Å; C57-I96 HydrophobicContact CB-CG2 3.6Å
58G97.8Very high97.7Very high47 Ų4741.6 Ų41.649%0.48522%0.219SC..THydrogen-bonded Turntrans86.33178.300000115L54 T55 R56L54-G58 PolarHBondContact O-N 2.8Å; T55-G58 PolarHBondContact O-N 2.75Å; R56-G58 VanDerWaalsContact C-N 3.32Å
59A98.7Very high97.7Very high1 Ų141.4 Ų41.41%0.00822%0.218CC..  trans-80168.6171.700000111.6L54 T55 D90 A91L54-A59 HydrophobicContact CB-CB 4.06Å; L54-A59 HydrophobicContact CD2-CB 4.11Å; L54-A59 WeakPolarHBondContact O-CA 3.17Å; L54-A59 WeakPolarHBondContact O-CB 3.48Å; L54-A59 PolarHBondContact O-N 3.03Å; T55-A59 WeakPolarHBondContact CA-O 3.33Å; A59-D90 CarbonylContact C-O 3.25Å; A59-D90 WeakPolarHBondContact CA-O 3.39Å; A59-D90 WeakPolarHBondContact CB-O 3.38Å; A59-A91 HydrophobicContact CB-CB 3.98Å
60K98.7Very high97.7Very high69 Ų6942.7 Ų42.730%0.322%0.224SC..EExtended strand (participates in β ladder)trans-118.4152.7175.7-36.7-174.1-165.1114.50110W69 Q70 H71 D90K60-W69 HydrophobicContact CB-CB 4.27Å; K60-W69 HydrophobicContact CB-CE3 3.86Å; K60-W69 HydrophobicContact CD-CB 4.26Å; K60-Q70 CarbonylContact C-O 3.54Å; K60-Q70 WeakPolarHBondContact CA-O 3.34Å; K60-Q70 WeakPolarHBondContact CB-O 3.35Å; K60-H71 HydrophobicContact CB-CB 4.22Å; K60-H71 HydrophobicContact CD-CB 4.02Å; K60-H71 HydrophobicContact CG-CB 3.76Å; K60-D90 HydrophobicContact CB-CB 4.26Å; K60-D90 PolarHBondContact N-O 3.22Å; K60-D90 IonicContact NZ-OD2 3.96Å; K60-D90 PolarHBondContact NZ-OD2 3.25Å; K60-D90 PolarHBondContact O-N 3.48Å
61V98.7Very high97.6Very high0 Ų047.6 Ų47.60%025%0.247CC..EExtended strand (participates in β ladder)trans-127.9145.1174.5-60.30000110.9A51 L54 F63 Q70 L76 I86 G88A51-V61 HydrophobicContact CB-CG2 4.01Å; L54-V61 HydrophobicContact CB-CG1 3.83Å; L54-V61 HydrophobicContact CD1-CG1 3.41Å; L54-V61 VanDerWaalsContact CD1-CG1 3.41Å; L54-V61 HydrophobicContact CG-CG1 4.24Å; V61-F63 HydrophobicContact CG2-CE2 3.97Å; V61-F63 HydrophobicContact CG2-CZ 3.91Å; V61-Q70 HydrophobicContact CG2-CB 4.07Å; V61-Q70 PolarHBondContact N-O 2.76Å; V61-Q70 WeakPolarHBondContact O-CB 3.25Å; V61-Q70 PolarHBondContact O-N 3.42Å; V61-L76 HydrophobicContact CG2-CD2 4.36Å; V61-I86 HydrophobicContact CB-CG2 4.45Å; V61-I86 HydrophobicContact CG1-CD1 4.26Å; V61-G88 CarbonylContact C-O 3.56Å; V61-G88 WeakPolarHBondContact CA-O 3.34Å
62R98.5Very high97.5Very high33 Ų3351.5 Ų51.513%0.12527%0.267CS..EExtended strand (participates in β ladder)trans-117.6129.2170.9-173.9172.459.172.10.6108.1F66 W69 Q87 G88 E112R62-F66 WeakPolarHBondContact CD-O 3.16Å; R62-F66 WeakPolarHBondContact CG-O 2.99Å; R62-W69 HydrophobicContact CB-CD2 3.93Å; R62-W69 HydrophobicContact CB-CE3 3.8Å; R62-W69 HydrophobicContact CB-CH2 4.21Å; R62-W69 HydrophobicContact CB-CZ2 4.3Å; R62-W69 HydrophobicContact CB-CZ3 3.95Å; R62-Q87 PolarHBondContact O-N 2.99Å; R62-G88 PolarHBondContact N-O 3.28Å; R62-G88 PolarHBondContact O-N 3.05Å; R62-E112 IonicContact CZ-OE2 3.79Å; R62-E112 IonicContact NE-OE2 3.75Å; R62-E112 IonicContact NH2-OE2 2.81Å; R62-E112 PolarHBondContact NH2-OE2 3.08Å
63F98.3Very high97.4Very high4 Ų455.7 Ų55.72%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-91.2155178.9-63.2-75000110.9A51 V61 G65 F66 Q70 L76 P77 K85 I86A51-F63 HydrophobicContact CB-CE1 4.38Å; A51-F63 HydrophobicContact CB-CZ 3.91Å; V61-F63 HydrophobicContact CG2-CE2 3.97Å; V61-F63 HydrophobicContact CG2-CZ 3.91Å; F63-G65 PolarHBondContact O-N 2.86Å; F63-F66 HydrophobicContact CB-CD2 3.96Å; F63-F66 HydrophobicContact CB-CE2 4.48Å; F63-F66 HydrophobicContact CB-CG 4.31Å; F63-F66 WeakPolarHBondContact O-CB 3.25Å; F63-F66 PolarHBondContact O-N 2.73Å; F63-Q70 HydrophobicContact CD2-CG 4.04Å; F63-Q70 HydrophobicContact CE2-CB 4.46Å; F63-Q70 HydrophobicContact CE2-CG 3.91Å; F63-L76 HydrophobicContact CE2-CD2 4.46Å; F63-L76 HydrophobicContact CZ-CD2 4.47Å; F63-P77 HydrophobicContact CD2-CG 3.98Å; F63-P77 HydrophobicContact CE2-CG 3.57Å; F63-P77 HydrophobicContact CZ-CG 4.17Å; F63-K85 CarbonylContact C-O 3.32Å; F63-K85 WeakPolarHBondContact CA-O 3.26Å; F63-I86 HydrophobicContact CD1-CG1 4.11Å; F63-I86 HydrophobicContact CE1-CG1 3.75Å
64Q97.6Very high97.3Very high76 Ų7662.5 Ų62.536%0.35532%0.32SS..THydrogen-bonded Turntrans-54.6133.6173.5-72.9-174.6-32.700111.4F66 K85 Q87Q64-F66 WeakPolarHBondContact O-CD2 3.34Å; Q64-F66 PolarHBondContact O-N 2.99Å; Q64-K85 HydrophobicContact CB-CB 4.48Å; Q64-K85 HydrophobicContact CG-CB 4.11Å; Q64-K85 PolarHBondContact N-O 2.66Å; Q64-Q87 HydrophobicContact CG-CB 3.86Å; Q64-Q87 HydrophobicContact CG-CG 4.19Å
65G95.9Very high97.1Very high81 Ų8164.2 Ų64.284%0.83534%0.338SS*.THydrogen-bonded Turntrans75.66.9-177.200000114.8F63F63-G65 PolarHBondContact O-N 2.86Å
66F95Very high97Very high69 Ų6964.1 Ų64.130%0.30334%0.337SS..  trans-111.6132.1173.5-72.8-118.8000110.2R62 F63 Q64 Y84R62-F66 WeakPolarHBondContact CD-O 3.16Å; R62-F66 WeakPolarHBondContact CG-O 2.99Å; F63-F66 HydrophobicContact CB-CD2 3.96Å; F63-F66 HydrophobicContact CB-CE2 4.48Å; F63-F66 HydrophobicContact CB-CG 4.31Å; F63-F66 WeakPolarHBondContact O-CB 3.25Å; F63-F66 PolarHBondContact O-N 2.73Å; Q64-F66 WeakPolarHBondContact O-CD2 3.34Å; Q64-F66 PolarHBondContact O-N 2.99Å; F66-Y84 AromaticContact CE2-CD1 3.94Å; F66-Y84 HydrophobicContact CE2-CD1 3.94Å; F66-Y84 AromaticContact CE2-CE1 3.92Å; F66-Y84 HydrophobicContact CE2-CE1 3.92Å; F66-Y84 HydrophobicContact CZ-CD1 4.08Å; F66-Y84 AromaticContact CZ-CE1 3.72Å; F66-Y84 HydrophobicContact CZ-CE1 3.72Å
67D93.6Very high96.7Very high159 Ų15961.6 Ų61.685%0.8533%0.331SS*.  trans-81.7-25.4170.9-58.8-37.5000111.9
68R95.6Very high96.2Very high167 Ų16766.7 Ų66.763%0.6336%0.362SS*.SBendtrans-88.5133.9-173.4-175.3177.9178.6-173.6-0.2112.6
69W97.7Very high95.8Very high63 Ų6367 Ų6724%0.23937%0.365CS..PPolyproline II helixtrans-74.9125.5167.7-68.489.6000112.3K60 R62 G88 D90K60-W69 HydrophobicContact CB-CB 4.27Å; K60-W69 HydrophobicContact CB-CE3 3.86Å; K60-W69 HydrophobicContact CD-CB 4.26Å; R62-W69 HydrophobicContact CB-CD2 3.93Å; R62-W69 HydrophobicContact CB-CE3 3.8Å; R62-W69 HydrophobicContact CB-CH2 4.21Å; R62-W69 HydrophobicContact CB-CZ2 4.3Å; R62-W69 HydrophobicContact CB-CZ3 3.95Å; W69-G88 VanDerWaalsContact CZ3-C 3.45Å; W69-G88 WeakPolarHBondContact CZ3-O 3.46Å; W69-D90 HydrophobicContact CD2-CB 4.5Å; W69-D90 HydrophobicContact CE3-CB 3.9Å; W69-D90 HydrophobicContact CH2-CB 3.88Å; W69-D90 HydrophobicContact CZ2-CB 4.5Å; W69-D90 HydrophobicContact CZ3-CB 3.56Å
70Q97.6Very high95.4Very high28 Ų2871 Ų7113%0.13139%0.39CS..BIsolated β-bridgetrans-89.6125.1173.7-53.2-59.6-13.400109.8K60 V61 F63 L76K60-Q70 CarbonylContact C-O 3.54Å; K60-Q70 WeakPolarHBondContact CA-O 3.34Å; K60-Q70 WeakPolarHBondContact CB-O 3.35Å; V61-Q70 HydrophobicContact CG2-CB 4.07Å; V61-Q70 PolarHBondContact N-O 2.76Å; V61-Q70 WeakPolarHBondContact O-CB 3.25Å; V61-Q70 PolarHBondContact O-N 3.42Å; F63-Q70 HydrophobicContact CD2-CG 4.04Å; F63-Q70 HydrophobicContact CE2-CB 4.46Å; F63-Q70 HydrophobicContact CE2-CG 3.91Å; Q70-L76 HydrophobicContact CB-CD2 4.21Å
71H96Very high94.9Very high104 Ų10474 Ų7448%0.48141%0.41SS..  trans-133.7-21-178.359-87000112.2K60 Y73K60-H71 HydrophobicContact CB-CB 4.22Å; K60-H71 HydrophobicContact CD-CB 4.02Å; K60-H71 HydrophobicContact CG-CB 3.76Å; H71-Y73 PolarHBondContact O-N 2.8Å
72D96.8Very high94.5Very high81 Ų8175.9 Ų75.943%0.43343%0.429SS..  trans-81.7113.7172.8179.78.3000109.8N74 G75 L76D72-N74 PolarHBondContact O-N 3.03Å; D72-N74 PolarHBondContact OD1-N 2.62Å; D72-G75 CarbonylContact O-C 3.49Å; D72-G75 WeakPolarHBondContact O-CA 3.36Å; D72-G75 PolarHBondContact O-N 3.42Å; D72-G75 PolarHBondContact OD2-N 3.13Å; D72-L76 PolarHBondContact O-N 3.49Å
73Y96.6Very high94.3Very high93 Ų9382.1 Ų82.137%0.36545%0.452SS..G310 helixtrans-53.9-41.9175.8-178.9-85.3000112.1E52 T55 R56 H71 G75 L76E52-Y73 HydrophobicContact CB-CE2 3.69Å; E52-Y73 HydrophobicContact CG-CE2 3.84Å; E52-Y73 WeakPolarHBondContact O-CE2 3.2Å; T55-Y73 WeakPolarHBondContact OG1-CD2 3.41Å; R56-Y73 HydrophobicContact CB-CD2 4.09Å; R56-Y73 HydrophobicContact CB-CE2 4.32Å; H71-Y73 PolarHBondContact O-N 2.8Å; Y73-G75 PolarHBondContact O-N 3.01Å; Y73-L76 WeakPolarHBondContact O-CG 3.43Å; Y73-L76 PolarHBondContact O-N 3.28Å
74N96.6Very high94.2Very high144 Ų14484.2 Ų84.277%0.7746%0.46SS*.G310 helixtrans-75.3-19.8-178.7-61.6-49000112.1D72D72-N74 PolarHBondContact O-N 3.03Å; D72-N74 PolarHBondContact OD1-N 2.62Å
75G94.5Very high94.3Very high38 Ų3883 Ų8339%0.39245%0.454SS..G310 helixtrans-89.71.3176.900000114.4D72 Y73D72-G75 CarbonylContact O-C 3.49Å; D72-G75 WeakPolarHBondContact O-CA 3.36Å; D72-G75 PolarHBondContact O-N 3.42Å; D72-G75 PolarHBondContact OD2-N 3.13Å; Y73-G75 PolarHBondContact O-N 3.01Å
76L96.2Very high94.4Very high7 Ų779.1 Ų79.14%0.03741%0.414CS..PPolyproline II helixtrans-59.5131.3179.4-75.3177.3000111.2A51 E52 T55 V61 F63 Q70 D72 Y73 T78A51-L76 HydrophobicContact CB-CD1 4.19Å; A51-L76 HydrophobicContact CB-CD2 4.07Å; E52-L76 HydrophobicContact CG-CD1 3.85Å; T55-L76 HydrophobicContact CG2-CD2 4.07Å; V61-L76 HydrophobicContact CG2-CD2 4.36Å; F63-L76 HydrophobicContact CE2-CD2 4.46Å; F63-L76 HydrophobicContact CZ-CD2 4.47Å; Q70-L76 HydrophobicContact CB-CD2 4.21Å; D72-L76 PolarHBondContact O-N 3.49Å; Y73-L76 WeakPolarHBondContact O-CG 3.43Å; Y73-L76 PolarHBondContact O-N 3.28Å; L76-T78 PolarHBondContact O-N 3.11Å
77P91.5Very high94.6Very high24 Ų2477.4 Ų77.416%0.15641%0.407CS..PPolyproline II helixtrans-61.7134-170.926.5-35.2000111R48 F63 Y84R48-P77 PolarHBondContact NH1-O 3.15Å; F63-P77 HydrophobicContact CD2-CG 3.98Å; F63-P77 HydrophobicContact CE2-CG 3.57Å; F63-P77 HydrophobicContact CZ-CG 4.17Å; P77-Y84 HydrophobicContact CB-CD1 4.42Å; P77-Y84 HydrophobicContact CB-CD2 4.04Å; P77-Y84 HydrophobicContact CB-CE1 4.12Å; P77-Y84 HydrophobicContact CB-CE2 3.69Å; P77-Y84 HydrophobicContact CB-CG 4.38Å; P77-Y84 HydrophobicContact CG-CD1 4.23Å; P77-Y84 HydrophobicContact CG-CD2 3.96Å; P77-Y84 HydrophobicContact CG-CE1 4.42Å; P77-Y84 HydrophobicContact CG-CE2 4.15Å; P77-Y84 HydrophobicContact CG-CG 4Å
78T88.6Confident94.8Very high113 Ų11369.8 Ų69.869%0.69337%0.366SS*.PPolyproline II helixtrans-97.7154.1173580000109.5L76 Y84L76-T78 PolarHBondContact O-N 3.11Å; T78-Y84 PolarHBondContact O-OH 3.35Å
79G89.1Confident95Very high52 Ų5262 Ų6254%0.53634%0.337SS..  trans159.7-170.1-177.300000112.5
80P90.8Very high95.1Very high85 Ų8559.8 Ų59.855%0.55233%0.33SS*.SBendtrans-53.5143.1176.1-23.832.8000111.9G82 R83P80-G82 PolarHBondContact O-N 2.8Å; P80-R83 HydrophobicContact CB-CB 4.4Å; P80-R83 VanDerWaalsContact O-CB 3.25Å; P80-R83 WeakPolarHBondContact O-CB 3.43Å; P80-R83 PolarHBondContact O-N 2.91Å
81L88.2Confident95.1Very high134 Ų13458.4 Ų58.470%0.70232%0.324SS*.THydrogen-bonded Turntrans-55.5136.2176.3-70.9176.2000110.7V44 R83V44-L81 HydrophobicContact CB-CD2 4.49Å; L81-R83 PolarHBondContact O-N 2.88Å
82G89.1Confident95.2Very high39 Ų3955.1 Ų55.140%0.40231%0.311SS..THydrogen-bonded Turntrans72.61.6178.100000115.9P80 K85P80-G82 PolarHBondContact O-N 2.8Å; G82-K85 WeakPolarHBondContact O-CE 3.25Å
83R95Very high95.3Very high163 Ų16356.1 Ų56.162%0.61532%0.316SS*.  trans-63.5-42.2-179177175.2177.9163.10.8113.5P80 L81P80-R83 HydrophobicContact CB-CB 4.4Å; P80-R83 VanDerWaalsContact O-CB 3.25Å; P80-R83 WeakPolarHBondContact O-CB 3.43Å; P80-R83 PolarHBondContact O-N 2.91Å; L81-R83 PolarHBondContact O-N 2.88Å
84Y97.2Very high95.4Very high48 Ų4852 Ų5219%0.18830%0.3CS..  trans-100.2119.9-173.6-57.3-73000109.5D47 F66 P77 T78D47-Y84 WeakPolarHBondContact CB-O 3.43Å; F66-Y84 AromaticContact CE2-CD1 3.94Å; F66-Y84 HydrophobicContact CE2-CD1 3.94Å; F66-Y84 AromaticContact CE2-CE1 3.92Å; F66-Y84 HydrophobicContact CE2-CE1 3.92Å; F66-Y84 HydrophobicContact CZ-CD1 4.08Å; F66-Y84 AromaticContact CZ-CE1 3.72Å; F66-Y84 HydrophobicContact CZ-CE1 3.72Å; P77-Y84 HydrophobicContact CB-CD1 4.42Å; P77-Y84 HydrophobicContact CB-CD2 4.04Å; P77-Y84 HydrophobicContact CB-CE1 4.12Å; P77-Y84 HydrophobicContact CB-CE2 3.69Å; P77-Y84 HydrophobicContact CB-CG 4.38Å; P77-Y84 HydrophobicContact CG-CD1 4.23Å; P77-Y84 HydrophobicContact CG-CD2 3.96Å; P77-Y84 HydrophobicContact CG-CE1 4.42Å; P77-Y84 HydrophobicContact CG-CE2 4.15Å; P77-Y84 HydrophobicContact CG-CG 4Å; T78-Y84 PolarHBondContact O-OH 3.35Å
85K98.4Very high95.4Very high50 Ų5046.4 Ų46.422%0.21727%0.273CS..  trans-107.7125.5-177.9-61.4-49.5-161.81770110.6D47 F63 Q64 G82 Q87 H109D47-K85 WeakPolarHBondContact OD1-CA 3.5Å; D47-K85 WeakPolarHBondContact OD2-CD 3.28Å; D47-K85 IonicContact OD2-NZ 3.12Å; D47-K85 PolarHBondContact OD2-NZ 3.2Å; F63-K85 CarbonylContact C-O 3.32Å; F63-K85 WeakPolarHBondContact CA-O 3.26Å; Q64-K85 HydrophobicContact CB-CB 4.48Å; Q64-K85 HydrophobicContact CG-CB 4.11Å; Q64-K85 PolarHBondContact N-O 2.66Å; G82-K85 WeakPolarHBondContact O-CE 3.25Å; K85-Q87 PolarHBondContact O-N 3.07Å; K85-H109 HydrophobicContact CB-CB 4.34Å
86I98.8Very high95.6Very high0 Ų044.8 Ų44.80%026%0.255CS..EExtended strand (participates in β ladder)trans-68.5125.1179-63175.7000108.1D47 A50 A51 L54 V61 F63 I89 L107 H109 V110D47-I86 HydrophobicContact CB-CG1 4.38Å; D47-I86 WeakPolarHBondContact O-CD1 3.37Å; D47-I86 PolarHBondContact OD1-N 3.21Å; A50-I86 HydrophobicContact CB-CD1 3.86Å; A51-I86 HydrophobicContact CB-CD1 4.2Å; L54-I86 HydrophobicContact CD1-CD1 4.33Å; V61-I86 HydrophobicContact CB-CG2 4.45Å; V61-I86 HydrophobicContact CG1-CD1 4.26Å; F63-I86 HydrophobicContact CD1-CG1 4.11Å; F63-I86 HydrophobicContact CE1-CG1 3.75Å; I86-I89 HydrophobicContact CG2-CD1 4.25Å; I86-I89 HydrophobicContact CG2-CG1 3.73Å; I86-L107 HydrophobicContact CD1-CD1 4.11Å; I86-L107 HydrophobicContact CD1-CD2 4.3Å; I86-H109 CarbonylContact O-C 3.58Å; I86-H109 VanDerWaalsContact O-C 3.25Å; I86-V110 HydrophobicContact CB-CG2 4.45Å; I86-V110 HydrophobicContact CG2-CG2 4.16Å; I86-V110 PolarHBondContact O-N 3.09Å
87Q98.8Very high95.7Very high33 Ų3346.4 Ų46.415%0.15426%0.263CS..EExtended strand (participates in β ladder)trans-108.5-38.1175.7-166.7176.339.900111.9R62 Q64 K85 H109 E111 E112R62-Q87 PolarHBondContact O-N 2.99Å; Q64-Q87 HydrophobicContact CG-CB 3.86Å; Q64-Q87 HydrophobicContact CG-CG 4.19Å; K85-Q87 PolarHBondContact O-N 3.07Å; Q87-H109 WeakPolarHBondContact CA-O 3.33Å; Q87-E111 HydrophobicContact CG-CB 3.95Å; Q87-E111 HydrophobicContact CG-CG 4.15Å; Q87-E111 WeakPolarHBondContact CG-OE2 3.43Å; Q87-E111 PolarHBondContact NE2-OE1 2.97Å; Q87-E111 PolarHBondContact NE2-OE2 3.48Å; Q87-E111 WeakPolarHBondContact O-CB 3.45Å; Q87-E111 PolarHBondContact O-N 3.21Å; Q87-E112 PolarHBondContact O-N 3.34Å; Q87-E112 VanDerWaalsContact O-N 3.13Å
88G98.9Very high96Very high0 Ų050.2 Ų50.20%028%0.275CS..EExtended strand (participates in β ladder)trans-128.2143.1179.400000112.2V61 R62 W69 E112V61-G88 CarbonylContact C-O 3.56Å; V61-G88 WeakPolarHBondContact CA-O 3.34Å; R62-G88 PolarHBondContact N-O 3.28Å; R62-G88 PolarHBondContact O-N 3.05Å; W69-G88 VanDerWaalsContact CZ3-C 3.45Å; W69-G88 WeakPolarHBondContact CZ3-O 3.46Å; G88-E112 CarbonylContact C-O 3.52Å; G88-E112 WeakPolarHBondContact CA-O 3.46Å
89I98.9Very high96.4Very high4 Ų450.3 Ų50.32%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-125.2124.9173.9-59.2174.1000108.7L54 I86 L104 V110 E112 L113 K114L54-I89 HydrophobicContact CD1-CD1 3.9Å; L54-I89 HydrophobicContact CD1-CG1 4.01Å; L54-I89 HydrophobicContact CD1-CG2 4.1Å; L54-I89 HydrophobicContact CD2-CG2 3.86Å; I86-I89 HydrophobicContact CG2-CD1 4.25Å; I86-I89 HydrophobicContact CG2-CG1 3.73Å; I89-L104 HydrophobicContact CD1-CD2 3.95Å; I89-V110 HydrophobicContact CD1-CG1 3.96Å; I89-V110 HydrophobicContact CD1-CG2 4.26Å; I89-V110 HydrophobicContact CG1-CG1 4.28Å; I89-E112 PolarHBondContact N-O 3.13Å; I89-L113 HydrophobicContact CB-CD1 3.75Å; I89-L113 HydrophobicContact CD1-CD1 4.46Å; I89-L113 HydrophobicContact CG2-CD1 3.71Å; I89-L113 WeakPolarHBondContact O-CA 3.23Å; I89-K114 PolarHBondContact O-N 2.78Å
90D98.9Very high96.8Very high15 Ų1547.9 Ų47.98%0.0824%0.24CC..EExtended strand (participates in β ladder)trans-119.297.9174.2171.112.9000109A59 K60 W69 T92 K114A59-D90 CarbonylContact C-O 3.25Å; A59-D90 WeakPolarHBondContact CA-O 3.39Å; A59-D90 WeakPolarHBondContact CB-O 3.38Å; K60-D90 HydrophobicContact CB-CB 4.26Å; K60-D90 PolarHBondContact N-O 3.22Å; K60-D90 IonicContact NZ-OD2 3.96Å; K60-D90 PolarHBondContact NZ-OD2 3.25Å; K60-D90 PolarHBondContact O-N 3.48Å; W69-D90 HydrophobicContact CD2-CB 4.5Å; W69-D90 HydrophobicContact CE3-CB 3.9Å; W69-D90 HydrophobicContact CH2-CB 3.88Å; W69-D90 HydrophobicContact CZ2-CB 4.5Å; W69-D90 HydrophobicContact CZ3-CB 3.56Å; D90-T92 VanDerWaalsContact C-N 3.35Å; D90-T92 PolarHBondContact O-N 2.97Å; D90-T92 VanDerWaalsContact OD1-CB 3.31Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 3.36Å; D90-T92 VanDerWaalsContact OD1-N 3.09Å; D90-T92 PolarHBondContact OD1-OG1 3.14Å; D90-K114 HydrophobicContact CB-CD 4.31Å
91A98.7Very high97.2Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-97.459.1174.800000110.4A59 I96 K114 L115 I116 S118A59-A91 HydrophobicContact CB-CB 3.98Å; A91-I96 HydrophobicContact CB-CD1 3.46Å; A91-I96 VanDerWaalsContact CB-CD1 3.46Å; A91-I96 HydrophobicContact CB-CG1 4.1Å; A91-K114 WeakPolarHBondContact CA-O 3.22Å; A91-K114 WeakPolarHBondContact CB-O 3.32Å; A91-K114 PolarHBondContact N-O 2.89Å; A91-L115 HydrophobicContact CB-CD2 4.04Å; A91-I116 PolarHBondContact O-N 3.1Å; A91-S118 PolarHBondContact O-OG 3.47Å
92T98.8Very high97.6Very high34 Ų3439.7 Ų39.721%0.20919%0.193CC..EExtended strand (participates in β ladder)trans-79.5129.9168.4-60.70000110.6D90 S94 I116D90-T92 VanDerWaalsContact C-N 3.35Å; D90-T92 PolarHBondContact O-N 2.97Å; D90-T92 VanDerWaalsContact OD1-CB 3.31Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 3.36Å; D90-T92 VanDerWaalsContact OD1-N 3.09Å; D90-T92 PolarHBondContact OD1-OG1 3.14Å; T92-S94 PolarHBondContact O-N 3.2Å; T92-I116 CarbonylContact C-O 3.47Å; T92-I116 VanDerWaalsContact CA-O 3.22Å; T92-I116 WeakPolarHBondContact CA-O 3.4Å; T92-I116 HydrophobicContact CG2-CB 4.17Å; T92-I116 HydrophobicContact CG2-CG2 4.07Å
93D98.1Very high98.1Very high103 Ų10338 Ų3855%0.55117%0.174SC*.THydrogen-bonded Turntrans5433-179.6-59.6-59.1000113.2I116 K117D93-I116 PolarHBondContact N-O 2.88Å; D93-K117 WeakPolarHBondContact OD1-CB 3.48Å; D93-K117 VanDerWaalsContact OD1-CE 3.25Å; D93-K117 WeakPolarHBondContact OD1-CE 3.26Å; D93-K117 IonicContact OD1-NZ 2.76Å; D93-K117 PolarHBondContact OD1-NZ 3.09Å; D93-K117 IonicContact OD2-NZ 2.73Å; D93-K117 PolarHBondContact OD2-NZ 3.2Å
94S98.1Very high98.3Very high5 Ų530.6 Ų30.64%0.03515%0.147CC..  trans-93.9151.6-172.7-179.70000112.6C57 T92 I96 S118C57-S94 WeakPolarHBondContact O-CA 3.33Å; C57-S94 PolarHBondContact O-OG 3.34Å; T92-S94 PolarHBondContact O-N 3.2Å; S94-I96 WeakPolarHBondContact OG-CG2 3.24Å; S94-I96 PolarHBondContact OG-N 3.18Å; S94-S118 PolarHBondContact N-OG 3.04Å; S94-S118 PolarHBondContact O-OG 2.99Å
95C97.6Very high98.3Very high28 Ų2831.5 Ų31.519%0.18916%0.155CC..  trans-94.116.917373.80000113.9N34 C57 Y120N34-C95 PolarHBondContact ND2-O 3.1Å; C57-C95 VanDerWaalsContact CA-SG 3.57Å; C57-C95 PolarHBondContact O-N 3.39Å; C95-Y120 HydrophobicContact CB-CD2 4.22Å; C95-Y120 HydrophobicContact CB-CE2 4.11Å
96I98.4Very high98.3Very high4 Ų430.3 Ų30.32%0.02116%0.157CC..  trans-61.1142.9173.859.2165.9000111.4N34 W53 L54 C57 A91 S94 F101 L115 I121N34-I96 WeakPolarHBondContact OD1-CA 3.38Å; W53-I96 HydrophobicContact CH2-CG2 4.23Å; W53-I96 HydrophobicContact CZ2-CB 3.87Å; W53-I96 HydrophobicContact CZ2-CG2 3.59Å; L54-I96 HydrophobicContact CD2-CG2 4.21Å; C57-I96 HydrophobicContact CB-CG2 3.6Å; A91-I96 HydrophobicContact CB-CD1 3.46Å; A91-I96 VanDerWaalsContact CB-CD1 3.46Å; A91-I96 HydrophobicContact CB-CG1 4.1Å; S94-I96 WeakPolarHBondContact OG-CG2 3.24Å; S94-I96 PolarHBondContact OG-N 3.18Å; I96-F101 HydrophobicContact CB-CE1 4.32Å; I96-F101 HydrophobicContact CD1-CE1 4.17Å; I96-F101 HydrophobicContact CD1-CZ 4.36Å; I96-F101 HydrophobicContact CG1-CE1 4.49Å; I96-L115 HydrophobicContact CD1-CD2 3.95Å; I96-I121 HydrophobicContact CD1-CD1 4.13Å; I96-I121 HydrophobicContact CG1-CD1 4.09Å
97M97.3Very high98.3Very high41 Ų4130.3 Ų30.320%0.20216%0.157CC..  trans-149.2168.7178.474.5-172.6-56.300110.6N30 N34 K99 G100 F101N30-M97 HydrophobicContact CB-SD 4.48Å; N34-M97 HydrophobicContact CB-CG 3.88Å; N34-M97 HydrophobicContact CB-SD 4.46Å; N34-M97 PolarHBondContact OD1-N 3.31Å; M97-K99 HydrophobicContact CG-CB 4.34Å; M97-K99 PolarHBondContact O-N 2.65Å; M97-G100 PolarHBondContact O-N 2.8Å; M97-F101 VanDerWaalsContact O-CD1 3.26Å; M97-F101 WeakPolarHBondContact O-CD1 2.75Å
98Y97.8Very high98.2Very high104 Ų10434.3 Ų34.341%0.40818%0.176SC..G310 helixtrans-37.2-46.4-177.6-177.7-89.6000114.8G100 F101 A124 C125 R128Y98-G100 PolarHBondContact O-N 3.12Å; Y98-F101 WeakPolarHBondContact O-CB 3.44Å; Y98-F101 PolarHBondContact O-N 2.8Å; Y98-A124 HydrophobicContact CD2-CB 3.88Å; Y98-A124 WeakPolarHBondContact CD2-O 3.18Å; Y98-A124 HydrophobicContact CE2-CB 4.14Å; Y98-A124 WeakPolarHBondContact CE2-O 3.46Å; Y98-C125 PolarHBondContact N-SG 3.35Å; Y98-R128 HydrophobicContact CD2-CB 4.11Å; Y98-R128 HydrophobicContact CE2-CB 3.74Å; Y98-R128 HydrophobicContact CE2-CG 4.2Å
99K97Very high98.2Very high115 Ų11537.2 Ų37.250%0.519%0.189SC..G310 helixtrans-57.2-23.7-177.2-68.3-176.5178.1178.70115A31 N34 M97A31-K99 HydrophobicContact CB-CD 4.1Å; N34-K99 HydrophobicContact CB-CB 4.17Å; N34-K99 CarbonylContact O-C 3.53Å; M97-K99 HydrophobicContact CG-CB 4.34Å; M97-K99 PolarHBondContact O-N 2.65Å
100G98.1Very high98.2Very high0 Ų037.1 Ų37.10%019%0.189CC..G310 helixtrans-94.7-8-179.900000114.5N34 W53 M97 Y98 D102 H103N34-G100 WeakPolarHBondContact O-CA 3.45Å; N34-G100 PolarHBondContact O-N 3.15Å; W53-G100 WeakPolarHBondContact CH2-O 3.37Å; W53-G100 VanDerWaalsContact CZ2-C 3.47Å; W53-G100 WeakPolarHBondContact CZ2-O 3.29Å; M97-G100 PolarHBondContact O-N 2.8Å; Y98-G100 PolarHBondContact O-N 3.12Å; G100-D102 PolarHBondContact O-N 2.75Å; G100-H103 WeakPolarHBondContact O-CB 3.47Å; G100-H103 PolarHBondContact O-N 2.74Å; G100-H103 PolarHBondContact O-ND1 2.58Å
101F98.3Very high98.2Very high3 Ų338.9 Ų38.91%0.01320%0.197CC..G310 helixtrans-72.2-16.7-168.4-78.427.9000112.8W53 I96 M97 Y98 H103 L104 I121 C125 R128 I129W53-F101 AromaticContact CH2-CD1 3.65Å; W53-F101 HydrophobicContact CH2-CD1 3.65Å; W53-F101 HydrophobicContact CH2-CE1 4.02Å; W53-F101 AromaticContact CZ2-CD1 3.9Å; W53-F101 HydrophobicContact CZ2-CD1 3.9Å; W53-F101 HydrophobicContact CZ2-CE1 4.2Å; I96-F101 HydrophobicContact CB-CE1 4.32Å; I96-F101 HydrophobicContact CD1-CE1 4.17Å; I96-F101 HydrophobicContact CD1-CZ 4.36Å; I96-F101 HydrophobicContact CG1-CE1 4.49Å; M97-F101 VanDerWaalsContact O-CD1 3.26Å; M97-F101 WeakPolarHBondContact O-CD1 2.75Å; Y98-F101 WeakPolarHBondContact O-CB 3.44Å; Y98-F101 PolarHBondContact O-N 2.8Å; F101-H103 PolarHBondContact O-N 3.36Å; F101-L104 HydrophobicContact CB-CD1 4.47Å; F101-L104 HydrophobicContact CD2-CD1 4.49Å; F101-L104 HydrophobicContact CG-CD1 4.38Å; F101-L104 VanDerWaalsContact O-CB 3.22Å; F101-L104 WeakPolarHBondContact O-CB 3.17Å; F101-L104 WeakPolarHBondContact O-CG 3.33Å; F101-L104 PolarHBondContact O-N 2.86Å; F101-I121 HydrophobicContact CE1-CD1 4.27Å; F101-I121 HydrophobicContact CZ-CD1 3.6Å; F101-C125 HydrophobicContact CD2-CB 4.24Å; F101-C125 WeakPolarHBondContact CD2-O 3.47Å; F101-C125 HydrophobicContact CE2-CB 3.48Å; F101-C125 VanDerWaalsContact CE2-CB 3.48Å; F101-C125 WeakPolarHBondContact CE2-O 3.38Å; F101-C125 HydrophobicContact CZ-CB 3.81Å; F101-R128 HydrophobicContact CB-CG 3.76Å; F101-R128 HydrophobicContact CD2-CB 4.3Å; F101-R128 HydrophobicContact CD2-CG 4.27Å; F101-I129 HydrophobicContact CD2-CD1 4.14Å; F101-I129 HydrophobicContact CD2-CG1 3.76Å; F101-I129 HydrophobicContact CE2-CD1 3.45Å; F101-I129 VanDerWaalsContact CE2-CD1 3.45Å; F101-I129 HydrophobicContact CE2-CG1 3.61Å; F101-I129 HydrophobicContact CZ-CD1 4.26Å
102D98.3Very high98.2Very high45 Ų4540.5 Ų40.524%0.24120%0.204CC..G310 helixtrans-64.6-17.1171.8-54.3-20.3000112.5V36 Y38 G100 L104 D105 R128V36-D102 HydrophobicContact CG2-CB 3.76Å; Y38-D102 PolarHBondContact OH-OD2 2.66Å; G100-D102 PolarHBondContact O-N 2.75Å; D102-L104 PolarHBondContact O-N 2.84Å; D102-D105 PolarHBondContact O-N 2.78Å; D102-R128 IonicContact OD1-CZ 2.9Å; D102-R128 IonicContact OD1-NE 2.72Å; D102-R128 PolarHBondContact OD1-NE 3.21Å; D102-R128 VanDerWaalsContact OD1-NE 3.08Å; D102-R128 IonicContact OD1-NH2 2.74Å; D102-R128 PolarHBondContact OD1-NH2 3.44Å
103H98.7Very high98.2Very high4 Ų439.2 Ų39.22%0.01920%0.196CC..G310 helixtrans-63.9-20.3169.4-66.695.3000112.7K35 V36 A50 W53 G100 F101K35-H103 PolarHBondContact O-CE1 2.8Å; V36-H103 WeakPolarHBondContact CA-CE1 3.25Å; V36-H103 WeakPolarHBondContact CG2-ND1 3.31Å; A50-H103 HydrophobicContact CB-CB 4.2Å; W53-H103 HydrophobicContact CD2-CB 4.17Å; W53-H103 AromaticContact CD2-CG 3.97Å; W53-H103 AromaticContact CD2-ND1 3.55Å; W53-H103 HydrophobicContact CE3-CB 3.52Å; W53-H103 AromaticContact CE3-CG 3.84Å; W53-H103 AromaticContact CE3-ND1 3.82Å; W53-H103 AromaticContact CG-CE1 3.68Å; W53-H103 AromaticContact CG-ND1 3.63Å; W53-H103 HydrophobicContact CZ3-CB 3.98Å; G100-H103 WeakPolarHBondContact O-CB 3.47Å; G100-H103 PolarHBondContact O-N 2.74Å; G100-H103 PolarHBondContact O-ND1 2.58Å; F101-H103 PolarHBondContact O-N 3.36Å
104L98.7Very high98.3Very high7 Ų736.7 Ų36.74%0.03718%0.18CC..G310 helixtrans-81.9-14.9-178.7-57.4176.9000112.7W53 I89 F101 D102 G106 L107 I129 I132 L135W53-L104 HydrophobicContact CH2-CG 4.46Å; W53-L104 HydrophobicContact CZ3-CD2 3.84Å; W53-L104 HydrophobicContact CZ3-CG 3.99Å; I89-L104 HydrophobicContact CD1-CD2 3.95Å; F101-L104 HydrophobicContact CB-CD1 4.47Å; F101-L104 HydrophobicContact CD2-CD1 4.49Å; F101-L104 HydrophobicContact CG-CD1 4.38Å; F101-L104 VanDerWaalsContact O-CB 3.22Å; F101-L104 WeakPolarHBondContact O-CB 3.17Å; F101-L104 WeakPolarHBondContact O-CG 3.33Å; F101-L104 PolarHBondContact O-N 2.86Å; D102-L104 PolarHBondContact O-N 2.84Å; L104-G106 VanDerWaalsContact C-N 3.26Å; L104-G106 PolarHBondContact O-N 2.84Å; L104-L107 HydrophobicContact CD2-CD1 3.64Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-L107 VanDerWaalsContact O-N 3.09Å; L104-I129 HydrophobicContact CD1-CG1 4.44Å; L104-I132 HydrophobicContact CB-CD1 3.59Å; L104-I132 HydrophobicContact CD1-CD1 4.23Å; L104-L135 HydrophobicContact CB-CD1 4.4Å; L104-L135 HydrophobicContact CD1-CD1 4.3Å
105D98.1Very high98.3Very high66 Ų6636.5 Ų36.535%0.35318%0.178SC..THydrogen-bonded Turntrans-59.3-35.8-172.2-76.5-20.4000113.2D102 R128 N134D102-D105 PolarHBondContact O-N 2.78Å; D105-R128 IonicContact OD1-CZ 3.08Å; D105-R128 VanDerWaalsContact OD1-CZ 3.26Å; D105-R128 IonicContact OD1-NH1 3.4Å; D105-R128 PolarHBondContact OD1-NH1 3.43Å; D105-R128 IonicContact OD1-NH2 3.33Å; D105-R128 PolarHBondContact OD1-NH2 2.91Å; D105-R128 IonicContact OD2-CZ 2.79Å; D105-R128 IonicContact OD2-NH2 2.66Å; D105-R128 PolarHBondContact OD2-NH2 2.87Å; D105-N134 PolarHBondContact O-ND2 3.03Å
106G97.8Very high98.4Very high26 Ų2636.6 Ų36.627%0.26818%0.177SC..THydrogen-bonded Turntrans-91.99.5-17900000115P46 L104P46-G106 WeakPolarHBondContact CB-O 3.4Å; P46-G106 WeakPolarHBondContact CG-O 3.47Å; L104-G106 VanDerWaalsContact C-N 3.26Å; L104-G106 PolarHBondContact O-N 2.84Å
107L98.6Very high98.4Very high0 Ų041 Ų410%020%0.196CC..  trans-93.2110.8-177.9-53.3-174.1000111.1P46 D47 A50 I86 L104 V110 N134P46-L107 HydrophobicContact CB-CD2 4.21Å; D47-L107 VanDerWaalsContact CA-CD2 3.5Å; D47-L107 HydrophobicContact CB-CD2 4.3Å; A50-L107 HydrophobicContact CB-CD1 3.9Å; A50-L107 HydrophobicContact CB-CD2 3.93Å; A50-L107 HydrophobicContact CB-CG 4.34Å; I86-L107 HydrophobicContact CD1-CD1 4.11Å; I86-L107 HydrophobicContact CD1-CD2 4.3Å; L104-L107 HydrophobicContact CD2-CD1 3.64Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-L107 VanDerWaalsContact O-N 3.09Å; L107-V110 HydrophobicContact CB-CG2 3.64Å; L107-V110 HydrophobicContact CD1-CG2 3.75Å; L107-V110 HydrophobicContact CG-CG2 4.36Å; L107-N134 WeakPolarHBondContact O-CB 3.35Å
108E98.3Very high98.3Very high117 Ų11739.1 Ų39.155%0.54719%0.186SC..SBendtrans-93.5-9.7-172.4-65.5175.1-166.700114.2
109H98.6Very high98.2Very high60 Ų6039.7 Ų39.728%0.27820%0.195SC..  trans-129.314.8-165.6-58.2-59.5000114.2K85 I86 Q87 E111K85-H109 HydrophobicContact CB-CB 4.34Å; I86-H109 CarbonylContact O-C 3.58Å; I86-H109 VanDerWaalsContact O-C 3.25Å; Q87-H109 WeakPolarHBondContact CA-O 3.33Å; H109-E111 PolarHBondContact O-N 2.83Å
110V98.9Very high98.1Very high2 Ų238 Ų381%0.01219%0.186CC..  trans-76.2116.9-178.7-178.60000109I86 I89 L107 L135 S138 L139I86-V110 HydrophobicContact CB-CG2 4.45Å; I86-V110 HydrophobicContact CG2-CG2 4.16Å; I86-V110 PolarHBondContact O-N 3.09Å; I89-V110 HydrophobicContact CD1-CG1 3.96Å; I89-V110 HydrophobicContact CD1-CG2 4.26Å; I89-V110 HydrophobicContact CG1-CG1 4.28Å; L107-V110 HydrophobicContact CB-CG2 3.64Å; L107-V110 HydrophobicContact CD1-CG2 3.75Å; L107-V110 HydrophobicContact CG-CG2 4.36Å; V110-L135 HydrophobicContact CB-CD2 3.68Å; V110-L135 HydrophobicContact CG1-CD2 4.21Å; V110-L135 HydrophobicContact CG2-CD2 4.05Å; V110-S138 CarbonylContact O-C 3.32Å; V110-S138 WeakPolarHBondContact O-CB 3.48Å; V110-S138 VanDerWaalsContact O-O 3.13Å; V110-S138 PolarHBondContact O-OG 2.68Å; V110-S138 VanDerWaalsContact O-OG 3.11Å; V110-L139 HydrophobicContact CG1-CD1 4.2Å; V110-L139 VanDerWaalsContact O-CA 3.25Å; V110-L139 WeakPolarHBondContact O-CA 3.45Å; V110-L139 PolarHBondContact O-N 3.18Å; V110-L139 VanDerWaalsContact O-N 3.15Å
111E98.8Very high98.2Very high53 Ų5338 Ų3825%0.24819%0.186CC..  trans-108.8-32.2-172.6-85.2175-144.600112.1Q87 H109 Y140 K141Q87-E111 HydrophobicContact CG-CB 3.95Å; Q87-E111 HydrophobicContact CG-CG 4.15Å; Q87-E111 WeakPolarHBondContact CG-OE2 3.43Å; Q87-E111 PolarHBondContact NE2-OE1 2.97Å; Q87-E111 PolarHBondContact NE2-OE2 3.48Å; Q87-E111 WeakPolarHBondContact O-CB 3.45Å; Q87-E111 PolarHBondContact O-N 3.21Å; H109-E111 PolarHBondContact O-N 2.83Å; E111-Y140 HydrophobicContact CB-CD1 3.54Å; E111-Y140 HydrophobicContact CB-CE1 3.5Å; E111-Y140 VanDerWaalsContact CB-CE1 3.5Å; E111-Y140 HydrophobicContact CG-CD1 3.83Å; E111-Y140 HydrophobicContact CG-CE1 3.99Å; E111-Y140 VanDerWaalsContact O-CD1 3.3Å; E111-Y140 WeakPolarHBondContact O-CD1 3.43Å; E111-Y140 PolarHBondContact O-N 2.92Å; E111-K141 PolarHBondContact O-N 2.87Å
112E98.9Very high98.2Very high33 Ų3342.2 Ų42.215%0.15421%0.205CC..EExtended strand (participates in β ladder)trans-127.2131.1-178.4-57-176.8141.500111.7R62 Q87 G88 I89 Y140 K141R62-E112 IonicContact CZ-OE2 3.79Å; R62-E112 IonicContact NE-OE2 3.75Å; R62-E112 IonicContact NH2-OE2 2.81Å; R62-E112 PolarHBondContact NH2-OE2 3.08Å; Q87-E112 PolarHBondContact O-N 3.34Å; Q87-E112 VanDerWaalsContact O-N 3.13Å; G88-E112 CarbonylContact C-O 3.52Å; G88-E112 WeakPolarHBondContact CA-O 3.46Å; I89-E112 PolarHBondContact N-O 3.13Å; E112-Y140 HydrophobicContact CG-CE1 4.19Å; E112-Y140 PolarHBondContact OE1-OH 2.93Å; E112-Y140 VanDerWaalsContact OE1-OH 3.11Å; E112-K141 WeakPolarHBondContact CA-O 3.47Å; E112-K141 HydrophobicContact CG-CB 4.34Å
113L98.9Very high98.2Very high8 Ų841.2 Ų41.24%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-132.6118.9175.3177.960.7000111.6I89 L115 I129 L139 K141 M142 E143I89-L113 HydrophobicContact CB-CD1 3.75Å; I89-L113 HydrophobicContact CD1-CD1 4.46Å; I89-L113 HydrophobicContact CG2-CD1 3.71Å; I89-L113 WeakPolarHBondContact O-CA 3.23Å; L113-L115 HydrophobicContact CD1-CD2 3.96Å; L113-L115 HydrophobicContact CD1-CG 4.45Å; L113-L115 HydrophobicContact CG-CD2 4.29Å; L113-L115 HydrophobicContact CG-CG 4.25Å; L113-I129 HydrophobicContact CD2-CD1 3.79Å; L113-I129 HydrophobicContact CD2-CG2 4.43Å; L113-L139 HydrophobicContact CB-CD1 3.68Å; L113-L139 HydrophobicContact CB-CD2 4.27Å; L113-L139 HydrophobicContact CD2-CD2 4.3Å; L113-K141 PolarHBondContact N-O 2.81Å; L113-M142 HydrophobicContact CD2-CE 3.95Å; L113-M142 HydrophobicContact CD2-SD 4.4Å; L113-M142 CarbonylContact O-C 3.51Å; L113-M142 VanDerWaalsContact O-CA 3.27Å; L113-M142 WeakPolarHBondContact O-CA 3.3Å; L113-E143 PolarHBondContact O-N 2.72Å
114K98.9Very high98.2Very high49 Ų4942.4 Ų42.421%0.21321%0.21CC..EExtended strand (participates in β ladder)trans-111.1124.6173.6-50.7176.3174.8-104.80110.4I89 D90 A91 I116 E143I89-K114 PolarHBondContact O-N 2.78Å; D90-K114 HydrophobicContact CB-CD 4.31Å; A91-K114 WeakPolarHBondContact CA-O 3.22Å; A91-K114 WeakPolarHBondContact CB-O 3.32Å; A91-K114 PolarHBondContact N-O 2.89Å; K114-I116 HydrophobicContact CB-CD1 4.11Å; K114-I116 HydrophobicContact CB-CG1 4.19Å; K114-I116 HydrophobicContact CD-CD1 4.44Å; K114-E143 HydrophobicContact CB-CB 4.36Å; K114-E143 HydrophobicContact CG-CB 4.27Å; K114-E143 HydrophobicContact CG-CG 4.32Å; K114-E143 IonicContact NZ-OE1 2.86Å; K114-E143 PolarHBondContact NZ-OE1 3.02Å; K114-E143 IonicContact NZ-OE2 3.92Å; K114-E143 PolarHBondContact NZ-OE2 2.9Å
115L98.9Very high98.2Very high1 Ų142 Ų421%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-116.494.8173.3-57.4-180000107.6A91 I96 L113 I121 L126 I129 M142 E143 V144 V145 C147A91-L115 HydrophobicContact CB-CD2 4.04Å; I96-L115 HydrophobicContact CD1-CD2 3.95Å; L113-L115 HydrophobicContact CD1-CD2 3.96Å; L113-L115 HydrophobicContact CD1-CG 4.45Å; L113-L115 HydrophobicContact CG-CD2 4.29Å; L113-L115 HydrophobicContact CG-CG 4.25Å; L115-I121 HydrophobicContact CD1-CD1 4.45Å; L115-I121 HydrophobicContact CD1-CG2 4.11Å; L115-I121 HydrophobicContact CD2-CD1 4.27Å; L115-L126 HydrophobicContact CD1-CD2 3.72Å; L115-I129 HydrophobicContact CD1-CD1 4.24Å; L115-M142 HydrophobicContact CD1-CE 3.68Å; L115-M142 HydrophobicContact CG-CE 4.41Å; L115-E143 PolarHBondContact N-O 3.3Å; L115-V144 WeakPolarHBondContact O-CA 3.4Å; L115-V145 PolarHBondContact O-N 3.08Å; L115-C147 PolarHBondContact O-SG 3.42Å; L115-C147 VanDerWaalsContact O-SG 3.33Å
116I98.8Very high98.2Very high30 Ų3038.9 Ų38.915%0.15419%0.192CC..EExtended strand (participates in β ladder)trans-123.5122.5-171-55.8-179.6000109.4A91 T92 D93 K114 S118 V145A91-I116 PolarHBondContact O-N 3.1Å; T92-I116 CarbonylContact C-O 3.47Å; T92-I116 VanDerWaalsContact CA-O 3.22Å; T92-I116 WeakPolarHBondContact CA-O 3.4Å; T92-I116 HydrophobicContact CG2-CB 4.17Å; T92-I116 HydrophobicContact CG2-CG2 4.07Å; D93-I116 PolarHBondContact N-O 2.88Å; K114-I116 HydrophobicContact CB-CD1 4.11Å; K114-I116 HydrophobicContact CB-CG1 4.19Å; K114-I116 HydrophobicContact CD-CD1 4.44Å; I116-S118 PolarHBondContact O-N 3.33Å; I116-V145 CarbonylContact C-O 3.04Å; I116-V145 WeakPolarHBondContact CA-O 3.46Å; I116-V145 HydrophobicContact CB-CB 4.4Å; I116-V145 HydrophobicContact CG1-CB 4.08Å; I116-V145 HydrophobicContact CG1-CG2 4.24Å; I116-V145 HydrophobicContact CG2-CB 4.13Å; I116-V145 HydrophobicContact CG2-CG1 4.37Å
117K98.3Very high98.3Very high98 Ų9840.9 Ų40.943%0.42619%0.194SC..SBendtrans52.128.5-179-60.4176.2-70.7146.50113.3D93 M119 V145D93-K117 WeakPolarHBondContact OD1-CB 3.48Å; D93-K117 VanDerWaalsContact OD1-CE 3.25Å; D93-K117 WeakPolarHBondContact OD1-CE 3.26Å; D93-K117 IonicContact OD1-NZ 2.76Å; D93-K117 PolarHBondContact OD1-NZ 3.09Å; D93-K117 IonicContact OD2-NZ 2.73Å; D93-K117 PolarHBondContact OD2-NZ 3.2Å; K117-M119 PolarHBondContact O-N 3.44Å; K117-V145 PolarHBondContact N-O 3.5Å
118S95.9Very high98.3Very high0 Ų042.4 Ų42.40%020%0.2CC..  trans-89.591.1179.3-79.80000109.8A91 S94 I116 Y120 I121A91-S118 PolarHBondContact O-OG 3.47Å; S94-S118 PolarHBondContact N-OG 3.04Å; S94-S118 PolarHBondContact O-OG 2.99Å; I116-S118 PolarHBondContact O-N 3.33Å; S118-Y120 PolarHBondContact O-N 2.76Å; S118-I121 WeakPolarHBondContact O-CB 3.22Å; S118-I121 WeakPolarHBondContact O-CG1 3.33Å; S118-I121 PolarHBondContact O-N 2.98Å
119M94.9Very high98.3Very high117 Ų11736.9 Ų36.958%0.57617%0.174SC*.THydrogen-bonded Turntrans-62.6-15.1-16868.6179.6-64.500115.9K117 N149K117-M119 PolarHBondContact O-N 3.44Å; M119-N149 PolarHBondContact O-ND2 2.85Å
120Y96.7Very high98.3Very high80 Ų8034.1 Ų34.131%0.31416%0.161SC..THydrogen-bonded Turntrans-99.63.1178.5-56.5-72.6000113.4N30 C95 S118N30-Y120 PolarHBondContact ND2-OH 2.72Å; C95-Y120 HydrophobicContact CB-CD2 4.22Å; C95-Y120 HydrophobicContact CB-CE2 4.11Å; S118-Y120 PolarHBondContact O-N 2.76Å
121I98.4Very high98.3Very high0 Ų037.3 Ų37.30%018%0.181CC..  trans-77.6127.5170.7-60.9-61.8000108.8I96 F101 L115 S118 C125 L126 C147 N149 V150I96-I121 HydrophobicContact CD1-CD1 4.13Å; I96-I121 HydrophobicContact CG1-CD1 4.09Å; F101-I121 HydrophobicContact CE1-CD1 4.27Å; F101-I121 HydrophobicContact CZ-CD1 3.6Å; L115-I121 HydrophobicContact CD1-CD1 4.45Å; L115-I121 HydrophobicContact CD1-CG2 4.11Å; L115-I121 HydrophobicContact CD2-CD1 4.27Å; S118-I121 WeakPolarHBondContact O-CB 3.22Å; S118-I121 WeakPolarHBondContact O-CG1 3.33Å; S118-I121 PolarHBondContact O-N 2.98Å; I121-C125 HydrophobicContact CD1-CB 4.26Å; I121-C125 HydrophobicContact CG2-CB 4.31Å; I121-L126 HydrophobicContact CG2-CD2 4.37Å; I121-C147 HydrophobicContact CB-CB 4.42Å; I121-C147 HydrophobicContact CG2-CB 4.41Å; I121-N149 WeakPolarHBondContact O-CB 3.19Å; I121-V150 HydrophobicContact CG2-CG2 3.79Å
122E98.4Very high98.3Very high90 Ų9035 Ų3542%0.42117%0.17SC..BIsolated β-bridgetrans-137.7173.6179.862.5-175.7-178.500109.6A124 C125 L126 N149E122-A124 HydrophobicContact CG-CB 4.2Å; E122-A124 PolarHBondContact O-N 2.95Å; E122-A124 VanDerWaalsContact O-N 3.15Å; E122-C125 WeakPolarHBondContact O-CA 3.15Å; E122-C125 WeakPolarHBondContact O-CB 3.22Å; E122-C125 PolarHBondContact O-N 2.98Å; E122-L126 PolarHBondContact O-N 3.31Å; E122-N149 HydrophobicContact CB-CB 4.14Å
123D98.8Very high98.2Very high24 Ų2440.4 Ų40.413%0.12820%0.195CC..Hα-helixtrans-52.7-40.4-178.4-66.3-25.3000113.6C125 L126 E127 T151 G154D123-C125 PolarHBondContact O-N 3.06Å; D123-L126 PolarHBondContact O-N 2.96Å; D123-L126 VanDerWaalsContact O-N 3.07Å; D123-E127 WeakPolarHBondContact O-CG 3.48Å; D123-E127 PolarHBondContact O-N 3.44Å; D123-T151 VanDerWaalsContact CG-OG1 3.32Å; D123-T151 PolarHBondContact OD1-N 2.71Å; D123-T151 PolarHBondContact OD1-OG1 3.44Å; D123-T151 PolarHBondContact OD2-OG1 3Å; D123-G154 VanDerWaalsContact CG-N 3.33Å; D123-G154 VanDerWaalsContact OD1-CA 3.24Å; D123-G154 WeakPolarHBondContact OD1-CA 3.33Å; D123-G154 PolarHBondContact OD1-N 3.04Å
124A98.6Very high98.2Very high29 Ų2942.6 Ų42.624%0.2421%0.207CC..Hα-helixtrans-60.9-30.5178.500000112.5Y98 E122 R128Y98-A124 HydrophobicContact CD2-CB 3.88Å; Y98-A124 WeakPolarHBondContact CD2-O 3.18Å; Y98-A124 HydrophobicContact CE2-CB 4.14Å; Y98-A124 WeakPolarHBondContact CE2-O 3.46Å; E122-A124 HydrophobicContact CG-CB 4.2Å; E122-A124 PolarHBondContact O-N 2.95Å; E122-A124 VanDerWaalsContact O-N 3.15Å; A124-R128 VanDerWaalsContact O-CB 3.3Å; A124-R128 WeakPolarHBondContact O-CB 3.19Å; A124-R128 PolarHBondContact O-N 2.89Å
125C98.7Very high98.2Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-66.9-44.8174.8-63.40000110.8Y98 F101 I121 E122 D123 R128 I129Y98-C125 PolarHBondContact N-SG 3.35Å; F101-C125 HydrophobicContact CD2-CB 4.24Å; F101-C125 WeakPolarHBondContact CD2-O 3.47Å; F101-C125 HydrophobicContact CE2-CB 3.48Å; F101-C125 VanDerWaalsContact CE2-CB 3.48Å; F101-C125 WeakPolarHBondContact CE2-O 3.38Å; F101-C125 HydrophobicContact CZ-CB 3.81Å; I121-C125 HydrophobicContact CD1-CB 4.26Å; I121-C125 HydrophobicContact CG2-CB 4.31Å; E122-C125 WeakPolarHBondContact O-CA 3.15Å; E122-C125 WeakPolarHBondContact O-CB 3.22Å; E122-C125 PolarHBondContact O-N 2.98Å; D123-C125 PolarHBondContact O-N 3.06Å; C125-R128 PolarHBondContact O-N 3.15Å; C125-I129 WeakPolarHBondContact O-CG1 3.35Å; C125-I129 PolarHBondContact O-N 3.19Å
126L98.8Very high98.2Very high0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-69.4-39.1178.8-59.2-171.9000111.9L115 I121 E122 D123 R128 I129 S130 M142 V150 G154 I155 L158L115-L126 HydrophobicContact CD1-CD2 3.72Å; I121-L126 HydrophobicContact CG2-CD2 4.37Å; E122-L126 PolarHBondContact O-N 3.31Å; D123-L126 PolarHBondContact O-N 2.96Å; D123-L126 VanDerWaalsContact O-N 3.07Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.89Å; L126-I129 HydrophobicContact CD2-CD1 4.28Å; L126-I129 PolarHBondContact O-N 3.07Å; L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 3.43Å; L126-M142 HydrophobicContact CD2-CE 3.67Å; L126-V150 HydrophobicContact CD1-CG1 3.62Å; L126-V150 HydrophobicContact CD1-CG2 4.14Å; L126-G154 WeakPolarHBondContact CB-O 3.43Å; L126-I155 HydrophobicContact CD1-CD1 3.89Å; L126-L158 HydrophobicContact CB-CD2 4.13Å; L126-L158 HydrophobicContact CD2-CD2 4.5Å
127E98.8Very high98.1Very high68 Ų6843 Ų4332%0.31822%0.219SC..Hα-helixtrans-57.8-45.3170.3-72.3179.3161.900111.4D123 S130 T131 K153 A157D123-E127 WeakPolarHBondContact O-CG 3.48Å; D123-E127 PolarHBondContact O-N 3.44Å; E127-S130 PolarHBondContact O-N 3.22Å; E127-S130 PolarHBondContact O-OG 2.93Å; E127-S130 VanDerWaalsContact O-OG 3.1Å; E127-T131 WeakPolarHBondContact O-CG2 3.43Å; E127-T131 PolarHBondContact O-N 3.38Å; E127-T131 VanDerWaalsContact O-N 3.15Å; E127-K153 WeakPolarHBondContact OE1-CE 3.43Å; E127-K153 IonicContact OE1-NZ 2.72Å; E127-K153 PolarHBondContact OE1-NZ 3.23Å; E127-K153 VanDerWaalsContact OE1-NZ 3.12Å; E127-K153 IonicContact OE2-NZ 2.8Å; E127-A157 HydrophobicContact CB-CB 4.34Å; E127-A157 HydrophobicContact CG-CB 3.63Å
128R98.7Very high98.1Very high32 Ų3239.2 Ų39.212%0.12121%0.205CC..Hα-helixtrans-64.5-42178.9179.759.6179.698.4-4.3112.4Y98 F101 D102 D105 A124 C125 L126 S130 T131 I132Y98-R128 HydrophobicContact CD2-CB 4.11Å; Y98-R128 HydrophobicContact CE2-CB 3.74Å; Y98-R128 HydrophobicContact CE2-CG 4.2Å; F101-R128 HydrophobicContact CB-CG 3.76Å; F101-R128 HydrophobicContact CD2-CB 4.3Å; F101-R128 HydrophobicContact CD2-CG 4.27Å; D102-R128 IonicContact OD1-CZ 2.9Å; D102-R128 IonicContact OD1-NE 2.72Å; D102-R128 PolarHBondContact OD1-NE 3.21Å; D102-R128 VanDerWaalsContact OD1-NE 3.08Å; D102-R128 IonicContact OD1-NH2 2.74Å; D102-R128 PolarHBondContact OD1-NH2 3.44Å; D105-R128 IonicContact OD1-CZ 3.08Å; D105-R128 VanDerWaalsContact OD1-CZ 3.26Å; D105-R128 IonicContact OD1-NH1 3.4Å; D105-R128 PolarHBondContact OD1-NH1 3.43Å; D105-R128 IonicContact OD1-NH2 3.33Å; D105-R128 PolarHBondContact OD1-NH2 2.91Å; D105-R128 IonicContact OD2-CZ 2.79Å; D105-R128 IonicContact OD2-NH2 2.66Å; D105-R128 PolarHBondContact OD2-NH2 2.87Å; A124-R128 VanDerWaalsContact O-CB 3.3Å; A124-R128 WeakPolarHBondContact O-CB 3.19Å; A124-R128 PolarHBondContact O-N 2.89Å; C125-R128 PolarHBondContact O-N 3.15Å; L126-R128 VanDerWaalsContact C-N 3.32Å; L126-R128 PolarHBondContact O-N 2.89Å; R128-S130 VanDerWaalsContact C-N 3.28Å; R128-S130 PolarHBondContact O-N 3.49Å; R128-T131 PolarHBondContact O-N 3.34Å; R128-T131 PolarHBondContact O-OG1 2.86Å; R128-T131 VanDerWaalsContact O-OG1 3.06Å; R128-I132 WeakPolarHBondContact O-CG1 3.3Å
129I98.7Very high98.3Very high1 Ų139.2 Ų39.21%0.00521%0.205CC..Hα-helixtrans-57.7-46.3173.6-74.1162.1000109.8F101 L104 L113 L115 C125 L126 T131 I132 L135 L139 M142 L161F101-I129 HydrophobicContact CD2-CD1 4.14Å; F101-I129 HydrophobicContact CD2-CG1 3.76Å; F101-I129 HydrophobicContact CE2-CD1 3.45Å; F101-I129 VanDerWaalsContact CE2-CD1 3.45Å; F101-I129 HydrophobicContact CE2-CG1 3.61Å; F101-I129 HydrophobicContact CZ-CD1 4.26Å; L104-I129 HydrophobicContact CD1-CG1 4.44Å; L113-I129 HydrophobicContact CD2-CD1 3.79Å; L113-I129 HydrophobicContact CD2-CG2 4.43Å; L115-I129 HydrophobicContact CD1-CD1 4.24Å; C125-I129 WeakPolarHBondContact O-CG1 3.35Å; C125-I129 PolarHBondContact O-N 3.19Å; L126-I129 HydrophobicContact CD2-CD1 4.28Å; L126-I129 PolarHBondContact O-N 3.07Å; I129-T131 PolarHBondContact O-N 3.28Å; I129-I132 PolarHBondContact O-N 3.19Å; I129-I132 VanDerWaalsContact O-N 3.13Å; I129-L135 HydrophobicContact CG2-CD1 3.98Å; I129-L139 HydrophobicContact CG2-CD2 4.48Å; I129-M142 HydrophobicContact CD1-CE 4.37Å; I129-L161 HydrophobicContact CG2-CD1 4.38Å; I129-L161 HydrophobicContact CG2-CD2 4.42Å
130S98.4Very high98.4Very high2 Ų237.1 Ų37.11%0.01419%0.191CC..Hα-helixtrans-71-15.9-175.287.80000114.2L126 E127 R128 Q136 A157 K160L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 3.43Å; E127-S130 PolarHBondContact O-N 3.22Å; E127-S130 PolarHBondContact O-OG 2.93Å; E127-S130 VanDerWaalsContact O-OG 3.1Å; R128-S130 VanDerWaalsContact C-N 3.28Å; R128-S130 PolarHBondContact O-N 3.49Å; S130-Q136 PolarHBondContact O-NE2 3.3Å; S130-A157 WeakPolarHBondContact CB-O 3.46Å; S130-A157 PolarHBondContact OG-O 2.83Å; S130-K160 VanDerWaalsContact O-CB 3.28Å; S130-K160 WeakPolarHBondContact O-CB 3.48Å
131T98.5Very high98.5Very high68 Ų6836.7 Ų36.742%0.41719%0.19SC..THydrogen-bonded Turntrans-89.2-6.4172.463.80000114.5E127 R128 I129 E133E127-T131 WeakPolarHBondContact O-CG2 3.43Å; E127-T131 PolarHBondContact O-N 3.38Å; E127-T131 VanDerWaalsContact O-N 3.15Å; R128-T131 PolarHBondContact O-N 3.34Å; R128-T131 PolarHBondContact O-OG1 2.86Å; R128-T131 VanDerWaalsContact O-OG1 3.06Å; I129-T131 PolarHBondContact O-N 3.28Å; T131-E133 PolarHBondContact O-N 3.41Å
132I98.6Very high98.6Very high4 Ų436.7 Ų36.72%0.02119%0.19CC..  trans-78.3109.5178-60.9166.1000109.2L104 R128 I129 N134 L135 Q136L104-I132 HydrophobicContact CB-CD1 3.59Å; L104-I132 HydrophobicContact CD1-CD1 4.23Å; R128-I132 WeakPolarHBondContact O-CG1 3.3Å; I129-I132 PolarHBondContact O-N 3.19Å; I129-I132 VanDerWaalsContact O-N 3.13Å; I132-N134 HydrophobicContact CG2-CB 4.26Å; I132-N134 PolarHBondContact O-N 2.8Å; I132-L135 HydrophobicContact CB-CB 4.09Å; I132-L135 HydrophobicContact CB-CD1 4.1Å; I132-L135 HydrophobicContact CB-CG 3.92Å; I132-L135 HydrophobicContact CD1-CD1 3.67Å; I132-L135 HydrophobicContact CD1-CG 4.31Å; I132-L135 HydrophobicContact CG1-CD1 4.43Å; I132-L135 HydrophobicContact CG2-CB 4.22Å; I132-L135 HydrophobicContact CG2-CD1 4.33Å; I132-L135 HydrophobicContact CG2-CG 3.77Å; I132-L135 PolarHBondContact O-N 3.49Å; I132-Q136 WeakPolarHBondContact O-CG 3.34Å; I132-Q136 PolarHBondContact O-N 3.23Å
133E98.1Very high98.6Very high147 Ų14733.5 Ų33.569%0.68718%0.176SC*.Hα-helixtrans-55.6-39.5-176.4-64.9-174.617200113T131 Q136 A137T131-E133 PolarHBondContact O-N 3.41Å; E133-Q136 WeakPolarHBondContact O-CB 3.48Å; E133-Q136 PolarHBondContact O-N 2.94Å; E133-A137 PolarHBondContact O-N 3.18Å
134N98.2Very high98.6Very high55 Ų5532.4 Ų32.429%0.29417%0.17SC..Hα-helixtrans-64.8-41.4178.2-69.6-27.1000112.1D105 L107 I132 A137 S138D105-N134 PolarHBondContact O-ND2 3.03Å; L107-N134 WeakPolarHBondContact O-CB 3.35Å; I132-N134 HydrophobicContact CG2-CB 4.26Å; I132-N134 PolarHBondContact O-N 2.8Å; N134-A137 PolarHBondContact O-N 3.27Å; N134-S138 WeakPolarHBondContact O-CB 3.39Å; N134-S138 PolarHBondContact O-N 3.03Å; N134-S138 VanDerWaalsContact O-N 3.09Å; N134-S138 PolarHBondContact O-OG 2.79Å
135L98.7Very high98.6Very high3 Ų331.9 Ų31.92%0.01616%0.164CC..Hα-helixtrans-70.6-34.8176.5-61.2-172000111.8L104 V110 I129 I132 A137 S138 L139 L161L104-L135 HydrophobicContact CB-CD1 4.4Å; L104-L135 HydrophobicContact CD1-CD1 4.3Å; V110-L135 HydrophobicContact CB-CD2 3.68Å; V110-L135 HydrophobicContact CG1-CD2 4.21Å; V110-L135 HydrophobicContact CG2-CD2 4.05Å; I129-L135 HydrophobicContact CG2-CD1 3.98Å; I132-L135 HydrophobicContact CB-CB 4.09Å; I132-L135 HydrophobicContact CB-CD1 4.1Å; I132-L135 HydrophobicContact CB-CG 3.92Å; I132-L135 HydrophobicContact CD1-CD1 3.67Å; I132-L135 HydrophobicContact CD1-CG 4.31Å; I132-L135 HydrophobicContact CG1-CD1 4.43Å; I132-L135 HydrophobicContact CG2-CB 4.22Å; I132-L135 HydrophobicContact CG2-CD1 4.33Å; I132-L135 HydrophobicContact CG2-CG 3.77Å; I132-L135 PolarHBondContact O-N 3.49Å; L135-A137 PolarHBondContact O-N 3.02Å; L135-S138 PolarHBondContact O-N 3.19Å; L135-L139 HydrophobicContact CB-CB 4.48Å; L135-L139 VanDerWaalsContact O-CB 3.23Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 PolarHBondContact O-N 3.33Å; L135-L161 HydrophobicContact CB-CD2 4.33Å
136Q98.5Very high98.6Very high30 Ų3033.6 Ų33.614%0.1418%0.176CC..Hα-helixtrans-58.4-31.6172.5-62.5173.3800112.1S130 I132 E133 K160 L161 R162 S163S130-Q136 PolarHBondContact O-NE2 3.3Å; I132-Q136 WeakPolarHBondContact O-CG 3.34Å; I132-Q136 PolarHBondContact O-N 3.23Å; E133-Q136 WeakPolarHBondContact O-CB 3.48Å; E133-Q136 PolarHBondContact O-N 2.94Å; Q136-K160 HydrophobicContact CG-CB 4.48Å; Q136-K160 VanDerWaalsContact CG-O 3.25Å; Q136-K160 WeakPolarHBondContact CG-O 3.43Å; Q136-L161 HydrophobicContact CG-CD2 4.26Å; Q136-R162 HydrophobicContact CB-CG 4.48Å; Q136-R162 WeakPolarHBondContact O-CG 3.39Å; Q136-S163 PolarHBondContact O-N 3.01Å; Q136-S163 PolarHBondContact O-OG 3.42Å
137A98Very high98.5Very high55 Ų5533.6 Ų33.646%0.45518%0.176SC..Hα-helixtrans-89.5-17-178.900000114.9E133 N134 L135 S163E133-A137 PolarHBondContact O-N 3.18Å; N134-A137 PolarHBondContact O-N 3.27Å; L135-A137 PolarHBondContact O-N 3.02Å; A137-S163 VanDerWaalsContact C-OG 3.26Å; A137-S163 WeakPolarHBondContact CA-OG 3.4Å; A137-S163 PolarHBondContact O-OG 3.06Å
138S98.6Very high98.5Very high19 Ų1932.4 Ų32.413%0.13318%0.182CC..Hα-helixtrans-123.9-30.2-169.854.20000114.7V110 N134 L135 Y140V110-S138 CarbonylContact O-C 3.32Å; V110-S138 WeakPolarHBondContact O-CB 3.48Å; V110-S138 VanDerWaalsContact O-O 3.13Å; V110-S138 PolarHBondContact O-OG 2.68Å; V110-S138 VanDerWaalsContact O-OG 3.11Å; N134-S138 WeakPolarHBondContact O-CB 3.39Å; N134-S138 PolarHBondContact O-N 3.03Å; N134-S138 VanDerWaalsContact O-N 3.09Å; N134-S138 PolarHBondContact O-OG 2.79Å; L135-S138 PolarHBondContact O-N 3.19Å; S138-Y140 PolarHBondContact O-N 2.91Å
139L98.8Very high98.4Very high0 Ų035.5 Ų35.50%020%0.2CC..  trans-77109.6-172.9-173.665.2000110.4V110 L113 I129 L135 M142 L161 S163 L164V110-L139 HydrophobicContact CG1-CD1 4.2Å; V110-L139 VanDerWaalsContact O-CA 3.25Å; V110-L139 WeakPolarHBondContact O-CA 3.45Å; V110-L139 PolarHBondContact O-N 3.18Å; V110-L139 VanDerWaalsContact O-N 3.15Å; L113-L139 HydrophobicContact CB-CD1 3.68Å; L113-L139 HydrophobicContact CB-CD2 4.27Å; L113-L139 HydrophobicContact CD2-CD2 4.3Å; I129-L139 HydrophobicContact CG2-CD2 4.48Å; L135-L139 HydrophobicContact CB-CB 4.48Å; L135-L139 VanDerWaalsContact O-CB 3.23Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 PolarHBondContact O-N 3.33Å; L139-M142 HydrophobicContact CD2-SD 4.3Å; L139-L161 HydrophobicContact CD2-CD1 3.92Å; L139-L161 HydrophobicContact CD2-CD2 4.46Å; L139-S163 CarbonylContact O-C 3.5Å; L139-L164 HydrophobicContact CG-CD1 4.31Å; L139-L164 WeakPolarHBondContact O-CA 3.43Å; L139-L164 PolarHBondContact O-N 3.49Å
140Y98.3Very high98.4Very high73 Ų7335.4 Ų35.429%0.28620%0.2SC..  trans-103.1-25.4-178.383.7-102.1000113.4E111 E112 S138 S163 E165 H166E111-Y140 HydrophobicContact CB-CD1 3.54Å; E111-Y140 HydrophobicContact CB-CE1 3.5Å; E111-Y140 VanDerWaalsContact CB-CE1 3.5Å; E111-Y140 HydrophobicContact CG-CD1 3.83Å; E111-Y140 HydrophobicContact CG-CE1 3.99Å; E111-Y140 VanDerWaalsContact O-CD1 3.3Å; E111-Y140 WeakPolarHBondContact O-CD1 3.43Å; E111-Y140 PolarHBondContact O-N 2.92Å; E112-Y140 HydrophobicContact CG-CE1 4.19Å; E112-Y140 PolarHBondContact OE1-OH 2.93Å; E112-Y140 VanDerWaalsContact OE1-OH 3.11Å; S138-Y140 PolarHBondContact O-N 2.91Å; Y140-S163 WeakPolarHBondContact CA-O 3.17Å; Y140-E165 PolarHBondContact O-N 3.06Å; Y140-H166 PolarHBondContact O-N 3.05Å
141K98.9Very high98.4Very high70 Ų7037.5 Ų37.530%0.30421%0.213SC..EExtended strand (participates in β ladder)trans-131.7129.5-179.3179.8171.7-178.8174.40112.4E111 E112 L113 E143 H166E111-K141 PolarHBondContact O-N 2.87Å; E112-K141 WeakPolarHBondContact CA-O 3.47Å; E112-K141 HydrophobicContact CG-CB 4.34Å; L113-K141 PolarHBondContact N-O 2.81Å; K141-E143 WeakPolarHBondContact CE-OE1 3.25Å; K141-E143 IonicContact NZ-OE1 2.67Å; K141-H166 WeakPolarHBondContact CA-O 3.28Å; K141-H166 HydrophobicContact CB-CB 4.41Å; K141-H166 HydrophobicContact CG-CB 4.18Å
142M98.9Very high98.4Very high0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-133.9139.3177.4-170.8167.4-177.600112.3L113 L115 L126 I129 L139 V144 L158 L161 L164 H166 L167 Y168L113-M142 HydrophobicContact CD2-CE 3.95Å; L113-M142 HydrophobicContact CD2-SD 4.4Å; L113-M142 CarbonylContact O-C 3.51Å; L113-M142 VanDerWaalsContact O-CA 3.27Å; L113-M142 WeakPolarHBondContact O-CA 3.3Å; L115-M142 HydrophobicContact CD1-CE 3.68Å; L115-M142 HydrophobicContact CG-CE 4.41Å; L126-M142 HydrophobicContact CD2-CE 3.67Å; I129-M142 HydrophobicContact CD1-CE 4.37Å; L139-M142 HydrophobicContact CD2-SD 4.3Å; M142-V144 HydrophobicContact CE-CG2 3.74Å; M142-V144 HydrophobicContact CG-CG2 4.25Å; M142-L158 HydrophobicContact CE-CD1 4.42Å; M142-L158 HydrophobicContact CE-CD2 4.15Å; M142-L158 HydrophobicContact SD-CD1 3.98Å; M142-L158 HydrophobicContact SD-CD2 3.94Å; M142-L161 HydrophobicContact SD-CD1 4.32Å; M142-L164 HydrophobicContact CB-CD1 3.76Å; M142-H166 PolarHBondContact N-O 2.97Å; M142-L167 HydrophobicContact CB-CD1 4Å; M142-L167 HydrophobicContact CG-CD1 4.22Å; M142-L167 WeakPolarHBondContact O-CA 3.26Å; M142-Y168 PolarHBondContact O-N 2.92Å
143E98.9Very high98.4Very high24 Ų2440.4 Ų40.411%0.11222%0.22CC..EExtended strand (participates in β ladder)trans-125127.8174.3-58175.5-159.100108.7L113 K114 L115 K141 Y168L113-E143 PolarHBondContact O-N 2.72Å; K114-E143 HydrophobicContact CB-CB 4.36Å; K114-E143 HydrophobicContact CG-CB 4.27Å; K114-E143 HydrophobicContact CG-CG 4.32Å; K114-E143 IonicContact NZ-OE1 2.86Å; K114-E143 PolarHBondContact NZ-OE1 3.02Å; K114-E143 IonicContact NZ-OE2 3.92Å; K114-E143 PolarHBondContact NZ-OE2 2.9Å; L115-E143 PolarHBondContact N-O 3.3Å; K141-E143 WeakPolarHBondContact CE-OE1 3.25Å; K141-E143 IonicContact NZ-OE1 2.67Å; E143-Y168 WeakPolarHBondContact CA-O 3.37Å; E143-Y168 HydrophobicContact CB-CD1 4.43Å; E143-Y168 HydrophobicContact CG-CD1 4.43Å
144V98.8Very high98.5Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-126107.7174.4-170.20000108.4L115 M142 C147 V150 Y168 L169 S170 L172L115-V144 WeakPolarHBondContact O-CA 3.4Å; M142-V144 HydrophobicContact CE-CG2 3.74Å; M142-V144 HydrophobicContact CG-CG2 4.25Å; V144-C147 HydrophobicContact CG1-CB 4.06Å; V144-V150 HydrophobicContact CG1-CG2 4.39Å; V144-Y168 PolarHBondContact N-O 3.23Å; V144-L169 HydrophobicContact CB-CD2 3.85Å; V144-L169 HydrophobicContact CG2-CD2 4.15Å; V144-L169 WeakPolarHBondContact O-CA 3.49Å; V144-S170 PolarHBondContact O-N 3.06Å; V144-S170 VanDerWaalsContact O-N 3.13Å; V144-L172 HydrophobicContact CB-CD1 4.31Å; V144-L172 HydrophobicContact CG1-CD1 4.05Å; V144-L172 HydrophobicContact CG1-CD2 4.05Å
145V98.7Very high98.5Very high19 Ų1930.8 Ų30.812%0.11517%0.174CC..EExtended strand (participates in β ladder)trans-132131.3-170.2-175.10000110.6L115 I116 K117 C147 Y168 S170L115-V145 PolarHBondContact O-N 3.08Å; I116-V145 CarbonylContact C-O 3.04Å; I116-V145 WeakPolarHBondContact CA-O 3.46Å; I116-V145 HydrophobicContact CB-CB 4.4Å; I116-V145 HydrophobicContact CG1-CB 4.08Å; I116-V145 HydrophobicContact CG1-CG2 4.24Å; I116-V145 HydrophobicContact CG2-CB 4.13Å; I116-V145 HydrophobicContact CG2-CG1 4.37Å; K117-V145 PolarHBondContact N-O 3.5Å; V145-C147 PolarHBondContact O-N 3.36Å; V145-C147 VanDerWaalsContact O-N 3.08Å; V145-C147 PolarHBondContact O-SG 3.39Å; V145-Y168 HydrophobicContact CG2-CD1 3.74Å; V145-Y168 HydrophobicContact CG2-CE1 3.65Å; V145-S170 VanDerWaalsContact CA-O 3.26Å; V145-S170 WeakPolarHBondContact CA-O 3.34Å
146S98.4Very high98.5Very high36 Ų3632.3 Ų32.325%0.25218%0.181SC..SBendtrans52.932.7176.2-54.10000113.9G148 S170 D171S146-G148 PolarHBondContact O-N 3.46Å; S146-S170 PolarHBondContact N-O 3.31Å; S146-D171 VanDerWaalsContact CA-O 3.26Å; S146-D171 WeakPolarHBondContact CA-O 3.48Å; S146-D171 VanDerWaalsContact CB-OD2 3.28Å; S146-D171 WeakPolarHBondContact CB-OD2 3.41Å; S146-D171 PolarHBondContact N-O 3.04Å; S146-D171 PolarHBondContact OG-OD2 3.29Å
147C98.2Very high98.5Very high0 Ų031.4 Ų31.40%018%0.179CC..  trans-94.982175.3-68.30000109.3L115 I121 V144 V145 N149 V150 L172L115-C147 PolarHBondContact O-SG 3.42Å; L115-C147 VanDerWaalsContact O-SG 3.33Å; I121-C147 HydrophobicContact CB-CB 4.42Å; I121-C147 HydrophobicContact CG2-CB 4.41Å; V144-C147 HydrophobicContact CG1-CB 4.06Å; V145-C147 PolarHBondContact O-N 3.36Å; V145-C147 VanDerWaalsContact O-N 3.08Å; V145-C147 PolarHBondContact O-SG 3.39Å; C147-N149 PolarHBondContact O-N 3.32Å; C147-V150 HydrophobicContact CB-CB 4.39Å; C147-V150 HydrophobicContact CB-CG2 3.71Å; C147-V150 WeakPolarHBondContact O-CB 3.21Å; C147-V150 PolarHBondContact O-N 2.79Å; C147-L172 HydrophobicContact CB-CD2 4.04Å
148G96.8Very high98.5Very high43 Ų4328.8 Ų28.844%0.44316%0.157SC..THydrogen-bonded Turntrans-62-13-165.600000117.8S146S146-G148 PolarHBondContact O-N 3.46Å
149N97.9Very high98.5Very high96 Ų9631.6 Ų31.651%0.51317%0.168SC..BIsolated β-bridgetrans-97.41.4176-56-48.1000113.3M119 I121 E122 C147M119-N149 PolarHBondContact O-ND2 2.85Å; I121-N149 WeakPolarHBondContact O-CB 3.19Å; E122-N149 HydrophobicContact CB-CB 4.14Å; C147-N149 PolarHBondContact O-N 3.32Å
150V98.6Very high98.5Very high0 Ų035.9 Ų35.90%019%0.187CC..  trans-83.9133.6176.3174.30000109.5I121 L126 V144 C147 I155 L172 G174I121-V150 HydrophobicContact CG2-CG2 3.79Å; L126-V150 HydrophobicContact CD1-CG1 3.62Å; L126-V150 HydrophobicContact CD1-CG2 4.14Å; V144-V150 HydrophobicContact CG1-CG2 4.39Å; C147-V150 HydrophobicContact CB-CB 4.39Å; C147-V150 HydrophobicContact CB-CG2 3.71Å; C147-V150 WeakPolarHBondContact O-CB 3.21Å; C147-V150 PolarHBondContact O-N 2.79Å; V150-I155 HydrophobicContact CG1-CD1 3.61Å; V150-I155 HydrophobicContact CG1-CG1 3.84Å; V150-L172 HydrophobicContact CG1-CD1 4.47Å; V150-G174 WeakPolarHBondContact O-CA 3.35Å
151T98.7Very high98.5Very high46 Ų4632.4 Ų32.428%0.28217%0.173SC..BIsolated β-bridgetrans-120.7177.3177.880.60000111.7D123 K153 G154 I155 G174D123-T151 VanDerWaalsContact CG-OG1 3.32Å; D123-T151 PolarHBondContact OD1-N 2.71Å; D123-T151 PolarHBondContact OD1-OG1 3.44Å; D123-T151 PolarHBondContact OD2-OG1 3Å; T151-K153 PolarHBondContact O-N 3.11Å; T151-K153 VanDerWaalsContact O-N 3.1Å; T151-K153 WeakPolarHBondContact OG1-CB 3.36Å; T151-K153 PolarHBondContact OG1-N 3.1Å; T151-G154 PolarHBondContact O-N 3.25Å; T151-G154 VanDerWaalsContact O-N 3.14Å; T151-I155 PolarHBondContact O-N 2.98Å; T151-G174 VanDerWaalsContact CA-O 3.29Å; T151-G174 WeakPolarHBondContact CA-O 3.5Å; T151-G174 WeakPolarHBondContact CB-O 3.24Å
152D98.7Very high98.4Very high15 Ų1536.2 Ų36.28%0.0819%0.186CC..Hα-helixtrans-47.3-37.4170.6-61.9-84.5000112.3I155 I156 V175 V176 E177 T181D152-I155 PolarHBondContact O-N 3.31Å; D152-I156 HydrophobicContact CB-CD1 4.41Å; D152-I156 WeakPolarHBondContact O-CB 3.38Å; D152-I156 WeakPolarHBondContact O-CD1 3.28Å; D152-I156 WeakPolarHBondContact O-CG1 3.42Å; D152-I156 PolarHBondContact O-N 3Å; D152-V175 WeakPolarHBondContact OD1-CG1 3.48Å; D152-V176 WeakPolarHBondContact OD2-CG2 3.44Å; D152-V176 PolarHBondContact OD2-N 3.33Å; D152-E177 WeakPolarHBondContact OD1-CA 3.41Å; D152-E177 PolarHBondContact OD1-N 3.18Å; D152-E177 PolarHBondContact OD2-N 2.8Å; D152-T181 WeakPolarHBondContact CB-OG1 3.34Å; D152-T181 PolarHBondContact OD1-OG1 3.43Å
153K98.7Very high98.3Very high118 Ų11838 Ų3851%0.51320%0.198SC..Hα-helixtrans-61.1-49.6-179.4-179.3-170.8163.3-162.60111.9E127 T151 I156 A157E127-K153 WeakPolarHBondContact OE1-CE 3.43Å; E127-K153 IonicContact OE1-NZ 2.72Å; E127-K153 PolarHBondContact OE1-NZ 3.23Å; E127-K153 VanDerWaalsContact OE1-NZ 3.12Å; E127-K153 IonicContact OE2-NZ 2.8Å; T151-K153 PolarHBondContact O-N 3.11Å; T151-K153 VanDerWaalsContact O-N 3.1Å; T151-K153 WeakPolarHBondContact OG1-CB 3.36Å; T151-K153 PolarHBondContact OG1-N 3.1Å; K153-I156 PolarHBondContact O-N 3.13Å; K153-A157 PolarHBondContact O-N 3.02Å; K153-A157 VanDerWaalsContact O-N 3.13Å
154G98.6Very high98.3Very high0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-65.2-41.5179.600000112.1D123 L126 T151 A157D123-G154 VanDerWaalsContact CG-N 3.33Å; D123-G154 VanDerWaalsContact OD1-CA 3.24Å; D123-G154 WeakPolarHBondContact OD1-CA 3.33Å; D123-G154 PolarHBondContact OD1-N 3.04Å; L126-G154 WeakPolarHBondContact CB-O 3.43Å; T151-G154 PolarHBondContact O-N 3.25Å; T151-G154 VanDerWaalsContact O-N 3.14Å; G154-A157 WeakPolarHBondContact O-CB 3.45Å; G154-A157 PolarHBondContact O-N 3.01Å
155I98.8Very high98.3Very high0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-63.6-46.7177-61.7-53.8000111.2L126 V150 T151 D152 A157 L158 L169 L172 V175 T181 L185L126-I155 HydrophobicContact CD1-CD1 3.89Å; V150-I155 HydrophobicContact CG1-CD1 3.61Å; V150-I155 HydrophobicContact CG1-CG1 3.84Å; T151-I155 PolarHBondContact O-N 2.98Å; D152-I155 PolarHBondContact O-N 3.31Å; I155-A157 PolarHBondContact O-N 3.42Å; I155-L158 VanDerWaalsContact O-CB 3.25Å; I155-L158 WeakPolarHBondContact O-CB 3.36Å; I155-L158 VanDerWaalsContact O-CG 3.3Å; I155-L158 WeakPolarHBondContact O-CG 3.26Å; I155-L158 PolarHBondContact O-N 3.49Å; I155-L158 VanDerWaalsContact O-N 3.08Å; I155-L169 HydrophobicContact CD1-CD1 4.24Å; I155-L169 HydrophobicContact CD1-CD2 3.67Å; I155-L169 HydrophobicContact CG1-CD1 4.33Å; I155-L169 HydrophobicContact CG2-CD1 3.67Å; I155-L172 HydrophobicContact CD1-CD1 4.11Å; I155-V175 HydrophobicContact CG1-CG2 3.88Å; I155-T181 HydrophobicContact CB-CG2 3.96Å; I155-T181 HydrophobicContact CG2-CG2 3.44Å; I155-T181 VanDerWaalsContact CG2-CG2 3.44Å; I155-L185 HydrophobicContact CG2-CD1 3.7Å
156I98.6Very high98.3Very high35 Ų3545.4 Ų45.418%0.17923%0.232CC..Hα-helixtrans-60.3-32.2177.4-70.9162.3000111.3D152 K153 L158 H159 T181 R184D152-I156 HydrophobicContact CB-CD1 4.41Å; D152-I156 WeakPolarHBondContact O-CB 3.38Å; D152-I156 WeakPolarHBondContact O-CD1 3.28Å; D152-I156 WeakPolarHBondContact O-CG1 3.42Å; D152-I156 PolarHBondContact O-N 3Å; K153-I156 PolarHBondContact O-N 3.13Å; I156-L158 PolarHBondContact O-N 2.91Å; I156-L158 VanDerWaalsContact O-N 3.1Å; I156-H159 PolarHBondContact O-N 2.92Å; I156-H159 PolarHBondContact O-ND1 3.26Å; I156-T181 HydrophobicContact CG1-CG2 4.17Å; I156-R184 HydrophobicContact CG1-CB 4.42Å
157A98.6Very high98.4Very high11 Ų1143.9 Ų43.99%0.09122%0.22CC..Hα-helixtrans-59.8-22.6178.700000113.3E127 S130 K153 G154 I155 H159E127-A157 HydrophobicContact CB-CB 4.34Å; E127-A157 HydrophobicContact CG-CB 3.63Å; S130-A157 WeakPolarHBondContact CB-O 3.46Å; S130-A157 PolarHBondContact OG-O 2.83Å; K153-A157 PolarHBondContact O-N 3.02Å; K153-A157 VanDerWaalsContact O-N 3.13Å; G154-A157 WeakPolarHBondContact O-CB 3.45Å; G154-A157 PolarHBondContact O-N 3.01Å; I155-A157 PolarHBondContact O-N 3.42Å; A157-H159 PolarHBondContact O-N 2.82Å
158L98.7Very high98.4Very high0 Ų046.8 Ų46.80%023%0.232CC..G310 helixtrans-67-11.4179.3-56.7179.4000113.8L126 M142 I155 I156 K160 L161 L167 L185L126-L158 HydrophobicContact CB-CD2 4.13Å; L126-L158 HydrophobicContact CD2-CD2 4.5Å; M142-L158 HydrophobicContact CE-CD1 4.42Å; M142-L158 HydrophobicContact CE-CD2 4.15Å; M142-L158 HydrophobicContact SD-CD1 3.98Å; M142-L158 HydrophobicContact SD-CD2 3.94Å; I155-L158 VanDerWaalsContact O-CB 3.25Å; I155-L158 WeakPolarHBondContact O-CB 3.36Å; I155-L158 VanDerWaalsContact O-CG 3.3Å; I155-L158 WeakPolarHBondContact O-CG 3.26Å; I155-L158 PolarHBondContact O-N 3.49Å; I155-L158 VanDerWaalsContact O-N 3.08Å; I156-L158 PolarHBondContact O-N 2.91Å; I156-L158 VanDerWaalsContact O-N 3.1Å; L158-K160 PolarHBondContact O-N 2.94Å; L158-L161 HydrophobicContact CB-CD1 4.21Å; L158-L161 HydrophobicContact CD2-CD1 3.85Å; L158-L161 WeakPolarHBondContact O-CB 3.49Å; L158-L161 PolarHBondContact O-N 3.36Å; L158-L167 HydrophobicContact CD1-CD1 4.05Å; L158-L167 HydrophobicContact CD1-CD2 4.28Å; L158-L185 HydrophobicContact CB-CD2 4.44Å
159H98.1Very high98.5Very high77 Ų7744.9 Ų44.936%0.35621%0.212SC..G310 helixtrans-54.6-20177.173.5-85.3000115I156 A157 L161 L185 A188I156-H159 PolarHBondContact O-N 2.92Å; I156-H159 PolarHBondContact O-ND1 3.26Å; A157-H159 PolarHBondContact O-N 2.82Å; H159-L161 VanDerWaalsContact C-N 3.31Å; H159-L185 HydrophobicContact CB-CD2 4.17Å; H159-A188 HydrophobicContact CB-CB 3.68Å
160K98.2Very high98.5Very high91 Ų9140.9 Ų40.940%0.39619%0.191SC..G310 helixtrans-77.5-16.6177.3-62.4-176.6179.4174.60113.3S130 Q136 L158 R162S130-K160 VanDerWaalsContact O-CB 3.28Å; S130-K160 WeakPolarHBondContact O-CB 3.48Å; Q136-K160 HydrophobicContact CG-CB 4.48Å; Q136-K160 VanDerWaalsContact CG-O 3.25Å; Q136-K160 WeakPolarHBondContact CG-O 3.43Å; L158-K160 PolarHBondContact O-N 2.94Å; K160-R162 PolarHBondContact O-N 3.34Å
161L98.5Very high98.5Very high0 Ų044.9 Ų44.90%021%0.212CC..  trans-76.473.2178.4-59.9173.9000109.7I129 L135 Q136 L139 M142 L158 H159 S163 L164I129-L161 HydrophobicContact CG2-CD1 4.38Å; I129-L161 HydrophobicContact CG2-CD2 4.42Å; L135-L161 HydrophobicContact CB-CD2 4.33Å; Q136-L161 HydrophobicContact CG-CD2 4.26Å; L139-L161 HydrophobicContact CD2-CD1 3.92Å; L139-L161 HydrophobicContact CD2-CD2 4.46Å; M142-L161 HydrophobicContact SD-CD1 4.32Å; L158-L161 HydrophobicContact CB-CD1 4.21Å; L158-L161 HydrophobicContact CD2-CD1 3.85Å; L158-L161 WeakPolarHBondContact O-CB 3.49Å; L158-L161 PolarHBondContact O-N 3.36Å; H159-L161 VanDerWaalsContact C-N 3.31Å; L161-S163 PolarHBondContact O-N 3.41Å; L161-L164 HydrophobicContact CB-CB 3.93Å; L161-L164 HydrophobicContact CD1-CD2 4.38Å; L161-L164 WeakPolarHBondContact O-CB 3.46Å; L161-L164 PolarHBondContact O-N 3.29Å
162R96.8Very high98.4Very high149 Ų14943 Ų4356%0.56220%0.2SC*.THydrogen-bonded Turntrans-59.5-17.4-172.561177.1175.5-88.2-3115.4Q136 K160Q136-R162 HydrophobicContact CB-CG 4.48Å; Q136-R162 WeakPolarHBondContact O-CG 3.39Å; K160-R162 PolarHBondContact O-N 3.34Å
163S98.2Very high98.3Very high38 Ų3846.7 Ų46.727%0.26623%0.226SC..THydrogen-bonded Turntrans-98.3-0.6178.4-43.60000112.8Q136 A137 L139 Y140 L161 E165Q136-S163 PolarHBondContact O-N 3.01Å; Q136-S163 PolarHBondContact O-OG 3.42Å; A137-S163 VanDerWaalsContact C-OG 3.26Å; A137-S163 WeakPolarHBondContact CA-OG 3.4Å; A137-S163 PolarHBondContact O-OG 3.06Å; L139-S163 CarbonylContact O-C 3.5Å; Y140-S163 WeakPolarHBondContact CA-O 3.17Å; L161-S163 PolarHBondContact O-N 3.41Å; S163-E165 PolarHBondContact O-N 3.02Å
164L98.8Very high98.3Very high6 Ų642.1 Ų42.13%0.03121%0.212CC..  trans-71.7121.2-179.1-166.773.8000109.9L139 M142 L161 L167 L192L139-L164 HydrophobicContact CG-CD1 4.31Å; L139-L164 WeakPolarHBondContact O-CA 3.43Å; L139-L164 PolarHBondContact O-N 3.49Å; M142-L164 HydrophobicContact CB-CD1 3.76Å; L161-L164 HydrophobicContact CB-CB 3.93Å; L161-L164 HydrophobicContact CD1-CD2 4.38Å; L161-L164 WeakPolarHBondContact O-CB 3.46Å; L161-L164 PolarHBondContact O-N 3.29Å; L164-L167 HydrophobicContact CD2-CB 4.3Å; L164-L192 HydrophobicContact CB-CD1 4.28Å; L164-L192 HydrophobicContact CD2-CD1 3.89Å; L164-L192 HydrophobicContact CD2-CD2 4.4Å; L164-L192 HydrophobicContact CG-CD1 3.78Å; L164-L192 WeakPolarHBondContact O-CD1 3.38Å
165E98.6Very high98.2Very high116 Ų11642.8 Ų42.854%0.54222%0.216SC..  trans-111.1-27.8-179.8-66.6-174-175.600112.1Y140 S163 D193Y140-E165 PolarHBondContact O-N 3.06Å; S163-E165 PolarHBondContact O-N 3.02Å; E165-D193 WeakPolarHBondContact O-CB 3.42Å; E165-D193 PolarHBondContact O-N 2.85Å
166H98.8Very high98.1Very high77 Ų7748.2 Ų48.236%0.35625%0.249SC..EExtended strand (participates in β ladder)trans-130.5124.2-179.5-59.7-72.1000111.6Y140 K141 M142 D193Y140-H166 PolarHBondContact O-N 3.05Å; K141-H166 WeakPolarHBondContact CA-O 3.28Å; K141-H166 HydrophobicContact CB-CB 4.41Å; K141-H166 HydrophobicContact CG-CB 4.18Å; M142-H166 PolarHBondContact N-O 2.97Å; H166-D193 IonicContact ND1-OD2 3.93Å
167L98.8Very high98Very high3 Ų350.9 Ų50.92%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-127.1118.2174-179.263.1000110.5M142 L158 L164 L169 L185 L192 D193 I194 E195M142-L167 HydrophobicContact CB-CD1 4Å; M142-L167 HydrophobicContact CG-CD1 4.22Å; M142-L167 WeakPolarHBondContact O-CA 3.26Å; L158-L167 HydrophobicContact CD1-CD1 4.05Å; L158-L167 HydrophobicContact CD1-CD2 4.28Å; L164-L167 HydrophobicContact CD2-CB 4.3Å; L167-L169 HydrophobicContact CD1-CD2 3.77Å; L167-L169 HydrophobicContact CD1-CG 4.42Å; L167-L169 HydrophobicContact CD2-CD1 4.18Å; L167-L169 HydrophobicContact CD2-CD2 4.19Å; L167-L169 HydrophobicContact CD2-CG 4.25Å; L167-L169 HydrophobicContact CG-CD1 4.47Å; L167-L169 HydrophobicContact CG-CD2 3.89Å; L167-L169 HydrophobicContact CG-CG 4Å; L167-L185 HydrophobicContact CD2-CD1 3.74Å; L167-L192 HydrophobicContact CB-CD1 4Å; L167-L192 HydrophobicContact CB-CD2 4.42Å; L167-L192 HydrophobicContact CB-CG 4.48Å; L167-L192 HydrophobicContact CD2-CD2 4.38Å; L167-D193 PolarHBondContact N-O 3.29Å; L167-I194 WeakPolarHBondContact O-CA 3.29Å; L167-E195 PolarHBondContact O-N 3.33Å
168Y98.9Very high97.9Very high62 Ų6254.1 Ų54.124%0.24327%0.272CS..EExtended strand (participates in β ladder)trans-106.9124.8172.2178.6-116.5000110.6M142 E143 V144 V145 S170 E195 D197M142-Y168 PolarHBondContact O-N 2.92Å; E143-Y168 WeakPolarHBondContact CA-O 3.37Å; E143-Y168 HydrophobicContact CB-CD1 4.43Å; E143-Y168 HydrophobicContact CG-CD1 4.43Å; V144-Y168 PolarHBondContact N-O 3.23Å; V145-Y168 HydrophobicContact CG2-CD1 3.74Å; V145-Y168 HydrophobicContact CG2-CE1 3.65Å; Y168-S170 WeakPolarHBondContact OH-CB 3.15Å; Y168-S170 PolarHBondContact OH-OG 2.96Å; Y168-E195 HydrophobicContact CD2-CB 3.86Å; Y168-E195 HydrophobicContact CD2-CG 3.69Å; Y168-E195 HydrophobicContact CE2-CG 3.9Å; Y168-D197 HydrophobicContact CE2-CB 4.39Å
169L98.7Very high97.8Very high3 Ų360.1 Ų60.12%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-122.6125.2178.5-54179.7000109.9V144 I155 L167 L172 E195 L196 D197 L198V144-L169 HydrophobicContact CB-CD2 3.85Å; V144-L169 HydrophobicContact CG2-CD2 4.15Å; V144-L169 WeakPolarHBondContact O-CA 3.49Å; I155-L169 HydrophobicContact CD1-CD1 4.24Å; I155-L169 HydrophobicContact CD1-CD2 3.67Å; I155-L169 HydrophobicContact CG1-CD1 4.33Å; I155-L169 HydrophobicContact CG2-CD1 3.67Å; L167-L169 HydrophobicContact CD1-CD2 3.77Å; L167-L169 HydrophobicContact CD1-CG 4.42Å; L167-L169 HydrophobicContact CD2-CD1 4.18Å; L167-L169 HydrophobicContact CD2-CD2 4.19Å; L167-L169 HydrophobicContact CD2-CG 4.25Å; L167-L169 HydrophobicContact CG-CD1 4.47Å; L167-L169 HydrophobicContact CG-CD2 3.89Å; L167-L169 HydrophobicContact CG-CG 4Å; L169-L172 HydrophobicContact CB-CD1 4.1Å; L169-L172 HydrophobicContact CD2-CD1 4.13Å; L169-E195 PolarHBondContact N-O 3.09Å; L169-L196 HydrophobicContact CB-CD2 3.79Å; L169-L196 HydrophobicContact CD1-CD2 3.77Å; L169-L196 HydrophobicContact CG-CD2 4.1Å; L169-L196 WeakPolarHBondContact O-CA 3.21Å; L169-D197 PolarHBondContact O-N 2.82Å; L169-L198 HydrophobicContact CB-CD2 4.41Å
170S98.5Very high97.8Very high11 Ų1161.9 Ų61.98%0.07731%0.307CS..EExtended strand (participates in β ladder)trans-146.3142.9-178.8174.10000112.2V144 V145 S146 Y168 L172 D197V144-S170 PolarHBondContact O-N 3.06Å; V144-S170 VanDerWaalsContact O-N 3.13Å; V145-S170 VanDerWaalsContact CA-O 3.26Å; V145-S170 WeakPolarHBondContact CA-O 3.34Å; S146-S170 PolarHBondContact N-O 3.31Å; Y168-S170 WeakPolarHBondContact OH-CB 3.15Å; Y168-S170 PolarHBondContact OH-OG 2.96Å; S170-L172 WeakPolarHBondContact O-CG 2.95Å; S170-L172 PolarHBondContact O-N 2.95Å; S170-D197 VanDerWaalsContact CA-O 3.27Å; S170-D197 WeakPolarHBondContact CA-O 2.87Å; S170-D197 PolarHBondContact OG-O 3.27Å; S170-D197 PolarHBondContact OG-OD2 3.19Å
171D97.8Very high97.7Very high84 Ų8457.8 Ų57.845%0.44929%0.289SS..SBendtrans51.751.7176-175.237.4000113.1S146 P173 D197S146-D171 VanDerWaalsContact CA-O 3.26Å; S146-D171 WeakPolarHBondContact CA-O 3.48Å; S146-D171 VanDerWaalsContact CB-OD2 3.28Å; S146-D171 WeakPolarHBondContact CB-OD2 3.41Å; S146-D171 PolarHBondContact N-O 3.04Å; S146-D171 PolarHBondContact OG-OD2 3.29Å; D171-P173 WeakPolarHBondContact O-CD 3.38Å; D171-D197 PolarHBondContact N-O 2.9Å
172L97.8Very high97.7Very high6 Ų659 Ų593%0.03130%0.297CS..  trans-112.786.1178.6-55.6179.8000110.4V144 C147 V150 I155 L169 S170 G174 V175 L198V144-L172 HydrophobicContact CB-CD1 4.31Å; V144-L172 HydrophobicContact CG1-CD1 4.05Å; V144-L172 HydrophobicContact CG1-CD2 4.05Å; C147-L172 HydrophobicContact CB-CD2 4.04Å; V150-L172 HydrophobicContact CG1-CD1 4.47Å; I155-L172 HydrophobicContact CD1-CD1 4.11Å; L169-L172 HydrophobicContact CB-CD1 4.1Å; L169-L172 HydrophobicContact CD2-CD1 4.13Å; S170-L172 WeakPolarHBondContact O-CG 2.95Å; S170-L172 PolarHBondContact O-N 2.95Å; L172-G174 PolarHBondContact O-N 3.1Å; L172-G174 VanDerWaalsContact O-N 3.07Å; L172-V175 HydrophobicContact CB-CB 4.22Å; L172-V175 HydrophobicContact CB-CG2 3.71Å; L172-V175 HydrophobicContact CD1-CG2 4.04Å; L172-V175 PolarHBondContact O-N 2.74Å; L172-L198 HydrophobicContact CB-CD2 3.75Å; L172-L198 HydrophobicContact CD1-CD2 4.39Å; L172-L198 HydrophobicContact CG-CD2 4.03Å
173P96.8Very high97.7Very high94 Ų9457.8 Ų57.861%0.6130%0.298SS*.THydrogen-bonded Turntrans-64.8-16.8-173.926.1-36.1000114.1D171D171-P173 WeakPolarHBondContact O-CD 3.38Å
174G97.3Very high97.7Very high22 Ų2263.4 Ų63.423%0.22731%0.313CS..BIsolated β-bridgetrans-82.9-9.7175.100000114.4V150 T151 L172 V176V150-G174 WeakPolarHBondContact O-CA 3.35Å; T151-G174 VanDerWaalsContact CA-O 3.29Å; T151-G174 WeakPolarHBondContact CA-O 3.5Å; T151-G174 WeakPolarHBondContact CB-O 3.24Å; L172-G174 PolarHBondContact O-N 3.1Å; L172-G174 VanDerWaalsContact O-N 3.07Å; G174-V176 PolarHBondContact O-N 2.81Å
175V97.7Very high97.7Very high14 Ų1463.1 Ų63.19%0.08531%0.312CS..  trans-91.294.2176.2-179.30000108D152 I155 L172 L198D152-V175 WeakPolarHBondContact OD1-CG1 3.48Å; I155-V175 HydrophobicContact CG1-CG2 3.88Å; L172-V175 HydrophobicContact CB-CB 4.22Å; L172-V175 HydrophobicContact CB-CG2 3.71Å; L172-V175 HydrophobicContact CD1-CG2 4.04Å; L172-V175 PolarHBondContact O-N 2.74Å; V175-L198 HydrophobicContact CB-CD1 4.16Å; V175-L198 HydrophobicContact CG1-CD1 3.74Å
176V97.1Very high97.6Very high113 Ų11362 Ų6269%0.68531%0.306SS*.  trans-103-24-171.2-63.80000112.9D152 G174D152-V176 WeakPolarHBondContact OD2-CG2 3.44Å; D152-V176 PolarHBondContact OD2-N 3.33Å; G174-V176 PolarHBondContact O-N 2.81Å
177E96.6Very high97.6Very high91 Ų9163.5 Ų63.543%0.42532%0.321SS..  trans-105.749.4179.7-60.4-168.1100.100111.5D152 E179 K180 T181D152-E177 WeakPolarHBondContact OD1-CA 3.41Å; D152-E177 PolarHBondContact OD1-N 3.18Å; D152-E177 PolarHBondContact OD2-N 2.8Å; E177-E179 VanDerWaalsContact C-N 3.33Å; E177-E179 PolarHBondContact O-N 2.94Å; E177-E179 VanDerWaalsContact O-N 3.14Å; E177-K180 HydrophobicContact CB-CB 4.25Å; E177-K180 HydrophobicContact CB-CD 4.34Å; E177-K180 PolarHBondContact O-N 2.95Å; E177-K180 WeakPolarHBondContact OE1-CD 3.38Å; E177-K180 WeakPolarHBondContact OE1-CE 3.29Å; E177-K180 IonicContact OE1-NZ 3.55Å; E177-K180 PolarHBondContact OE1-NZ 3.17Å; E177-T181 PolarHBondContact O-N 3.1Å; E177-T181 PolarHBondContact O-OG1 2.85Å
178K95.3Very high97.5Very high79 Ų7965.7 Ų65.734%0.34334%0.339SS..Hα-helixtrans-49-45.8-169.868.2-172.1179.7-173.20114.4K180 T181 V182 L198K178-K180 PolarHBondContact O-N 2.93Å; K178-T181 PolarHBondContact O-N 3.13Å; K178-V182 WeakPolarHBondContact O-CG2 3.38Å; K178-V182 PolarHBondContact O-N 3.37Å; K178-L198 HydrophobicContact CB-CD1 4.25Å
179E96.4Very high97.5Very high126 Ų12663.6 Ų63.659%0.58933%0.332SS*.Hα-helixtrans-64.8-42.5-179.6-65.376.5-16400111.9E177 V182 E183E177-E179 VanDerWaalsContact C-N 3.33Å; E177-E179 PolarHBondContact O-N 2.94Å; E177-E179 VanDerWaalsContact O-N 3.14Å; E179-V182 PolarHBondContact O-N 3.06Å; E179-E183 WeakPolarHBondContact O-CB 3.4Å; E179-E183 PolarHBondContact O-N 3.04Å
180K97.6Very high97.4Very high115 Ų11568.9 Ų68.950%0.537%0.367SS..Hα-helixtrans-69.3-36.5178.2-63.9-177.2-171.8167.60111.7E177 K178 E183 R184E177-K180 HydrophobicContact CB-CB 4.25Å; E177-K180 HydrophobicContact CB-CD 4.34Å; E177-K180 PolarHBondContact O-N 2.95Å; E177-K180 WeakPolarHBondContact OE1-CD 3.38Å; E177-K180 WeakPolarHBondContact OE1-CE 3.29Å; E177-K180 IonicContact OE1-NZ 3.55Å; E177-K180 PolarHBondContact OE1-NZ 3.17Å; K178-K180 PolarHBondContact O-N 2.93Å; K180-E183 PolarHBondContact O-N 3.27Å; K180-R184 WeakPolarHBondContact O-CB 3.42Å; K180-R184 VanDerWaalsContact O-CG 3.31Å; K180-R184 WeakPolarHBondContact O-CG 3.45Å; K180-R184 PolarHBondContact O-N 3.44Å
181T98Very high97.3Very high4 Ų471.8 Ų71.83%0.02540%0.399CS..Hα-helixtrans-63.8-46.1176.2-72.60000110.8D152 I155 I156 E177 K178 R184 L185D152-T181 WeakPolarHBondContact CB-OG1 3.34Å; D152-T181 PolarHBondContact OD1-OG1 3.43Å; I155-T181 HydrophobicContact CB-CG2 3.96Å; I155-T181 HydrophobicContact CG2-CG2 3.44Å; I155-T181 VanDerWaalsContact CG2-CG2 3.44Å; I156-T181 HydrophobicContact CG1-CG2 4.17Å; E177-T181 PolarHBondContact O-N 3.1Å; E177-T181 PolarHBondContact O-OG1 2.85Å; K178-T181 PolarHBondContact O-N 3.13Å; T181-R184 PolarHBondContact O-N 2.9Å; T181-L185 PolarHBondContact O-N 3.09Å; T181-L185 VanDerWaalsContact O-N 3.1Å
182V97.4Very high97.3Very high25 Ų2568.2 Ų68.215%0.15238%0.38CS..Hα-helixtrans-61.1-49.2173168.70000111.5K178 E179 R184 L185 Q186 I194 L196K178-V182 WeakPolarHBondContact O-CG2 3.38Å; K178-V182 PolarHBondContact O-N 3.37Å; E179-V182 PolarHBondContact O-N 3.06Å; V182-R184 VanDerWaalsContact C-N 3.29Å; V182-R184 PolarHBondContact O-N 3.21Å; V182-L185 PolarHBondContact O-N 3.06Å; V182-L185 VanDerWaalsContact O-N 3.14Å; V182-Q186 HydrophobicContact CG1-CG 4.11Å; V182-Q186 WeakPolarHBondContact O-CB 3.39Å; V182-Q186 WeakPolarHBondContact O-CG 3.49Å; V182-Q186 PolarHBondContact O-N 3.47Å; V182-I194 HydrophobicContact CG1-CD1 4.33Å; V182-I194 HydrophobicContact CG2-CG2 4.35Å; V182-L196 HydrophobicContact CG2-CD1 3.62Å; V182-L196 HydrophobicContact CG2-CD2 4.46Å; V182-L196 HydrophobicContact CG2-CG 4.35Å
183E97.9Very high97.3Very high125 Ų12572.5 Ų72.558%0.58440%0.402SS*.Hα-helixtrans-56.3-44.1-179.5-176.7-173.1176.200111.5E179 K180 T187E179-E183 WeakPolarHBondContact O-CB 3.4Å; E179-E183 PolarHBondContact O-N 3.04Å; K180-E183 PolarHBondContact O-N 3.27Å; E183-T187 VanDerWaalsContact O-CB 3.29Å; E183-T187 WeakPolarHBondContact O-CB 3.43Å; E183-T187 PolarHBondContact O-N 3.39Å; E183-T187 PolarHBondContact O-OG1 3.08Å
184R97.9Very high97.4Very high155 Ų15569.2 Ų69.259%0.58538%0.38SS*.Hα-helixtrans-64-44.6177.3-77.1178.1173.5-154.80.5112.5I156 K180 T181 V182 T187 A188I156-R184 HydrophobicContact CG1-CB 4.42Å; K180-R184 WeakPolarHBondContact O-CB 3.42Å; K180-R184 VanDerWaalsContact O-CG 3.31Å; K180-R184 WeakPolarHBondContact O-CG 3.45Å; K180-R184 PolarHBondContact O-N 3.44Å; T181-R184 PolarHBondContact O-N 2.9Å; V182-R184 VanDerWaalsContact C-N 3.29Å; V182-R184 PolarHBondContact O-N 3.21Å; R184-T187 PolarHBondContact O-N 2.92Å; R184-A188 PolarHBondContact O-N 3.16Å
185L97.8Very high97.5Very high1 Ų174 Ų741%0.00540%0.396CS..Hα-helixtrans-65.2-46.6178.2-76.7179.2000111.5I155 L158 H159 L167 T181 V182 T187 A188 L189 L192 I194I155-L185 HydrophobicContact CG2-CD1 3.7Å; L158-L185 HydrophobicContact CB-CD2 4.44Å; H159-L185 HydrophobicContact CB-CD2 4.17Å; L167-L185 HydrophobicContact CD2-CD1 3.74Å; T181-L185 PolarHBondContact O-N 3.09Å; T181-L185 VanDerWaalsContact O-N 3.1Å; V182-L185 PolarHBondContact O-N 3.06Å; V182-L185 VanDerWaalsContact O-N 3.14Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 2.98Å; L185-A188 PolarHBondContact O-N 3Å; L185-L189 PolarHBondContact O-N 2.78Å; L185-L192 HydrophobicContact CB-CD2 4.28Å; L185-I194 HydrophobicContact CB-CD1 3.82Å; L185-I194 HydrophobicContact CD1-CD1 4.06Å
186Q97.6Very high97.4Very high92 Ų9276.6 Ų76.643%0.4341%0.409SS..Hα-helixtrans-66.3-33.1178.3-72.1179.4-23.800112.6V182 A188 L189 P190 I194V182-Q186 HydrophobicContact CG1-CG 4.11Å; V182-Q186 WeakPolarHBondContact O-CB 3.39Å; V182-Q186 WeakPolarHBondContact O-CG 3.49Å; V182-Q186 PolarHBondContact O-N 3.47Å; Q186-A188 VanDerWaalsContact C-N 3.32Å; Q186-A188 PolarHBondContact O-N 2.9Å; Q186-L189 CarbonylContact O-C 3.54Å; Q186-P190 WeakPolarHBondContact O-CA 3.23Å; Q186-I194 HydrophobicContact CG-CD1 4.06Å
187T97.9Very high97.3Very high108 Ų10875.5 Ų75.566%0.66340%0.399SS*.Hα-helixtrans-64-40.1173.5-61.90000111.3E183 R184 L185E183-T187 VanDerWaalsContact O-CB 3.29Å; E183-T187 WeakPolarHBondContact O-CB 3.43Å; E183-T187 PolarHBondContact O-N 3.39Å; E183-T187 PolarHBondContact O-OG1 3.08Å; R184-T187 PolarHBondContact O-N 2.92Å; L185-T187 VanDerWaalsContact C-N 3.32Å; L185-T187 PolarHBondContact O-N 2.98Å
188A97.5Very high96.8Very high49 Ų4972.2 Ų72.241%0.40539%0.385SS..Hα-helixtrans-80.7-34.2-179.900000113.1H159 R184 L185 Q186H159-A188 HydrophobicContact CB-CB 3.68Å; R184-A188 PolarHBondContact O-N 3.16Å; L185-A188 PolarHBondContact O-N 3Å; Q186-A188 VanDerWaalsContact C-N 3.32Å; Q186-A188 PolarHBondContact O-N 2.9Å
189L97.8Very high95.7Very high18 Ų1877.6 Ų77.69%0.09442%0.424CS..  trans-129.779.1-177.3-58.4175.1000109.2L185 Q186 G191 L192L185-L189 PolarHBondContact O-N 2.78Å; Q186-L189 CarbonylContact O-C 3.54Å; L189-G191 PolarHBondContact O-N 2.82Å; L189-G191 VanDerWaalsContact O-N 3.1Å; L189-L192 HydrophobicContact CB-CB 3.81Å; L189-L192 HydrophobicContact CB-CD2 4.38Å; L189-L192 HydrophobicContact CD1-CD2 4.07Å; L189-L192 VanDerWaalsContact O-CB 3.28Å; L189-L192 WeakPolarHBondContact O-CB 3.39Å; L189-L192 PolarHBondContact O-N 2.98Å
190P97Very high95.6Very high115 Ų11575.2 Ų75.275%0.74742%0.416SS*.THydrogen-bonded Turntrans-63.6-19.3-172.5-25.135.3000115.6Q186Q186-P190 WeakPolarHBondContact O-CA 3.23Å
191G95.8Very high95.5Very high72 Ų7273.1 Ų73.174%0.74241%0.411SS*.THydrogen-bonded Turntrans-93.8-0.1176.600000114.5L189 D193L189-G191 PolarHBondContact O-N 2.82Å; L189-G191 VanDerWaalsContact O-N 3.1Å; G191-D193 PolarHBondContact O-N 3.27Å
192L98.4Very high95.4Very high9 Ų976.9 Ų76.95%0.04743%0.433CS..  trans-73119.2-177.9178.864000110.5L164 L167 L185 L189 I194L164-L192 HydrophobicContact CB-CD1 4.28Å; L164-L192 HydrophobicContact CD2-CD1 3.89Å; L164-L192 HydrophobicContact CD2-CD2 4.4Å; L164-L192 HydrophobicContact CG-CD1 3.78Å; L164-L192 WeakPolarHBondContact O-CD1 3.38Å; L167-L192 HydrophobicContact CB-CD1 4Å; L167-L192 HydrophobicContact CB-CD2 4.42Å; L167-L192 HydrophobicContact CB-CG 4.48Å; L167-L192 HydrophobicContact CD2-CD2 4.38Å; L185-L192 HydrophobicContact CB-CD2 4.28Å; L189-L192 HydrophobicContact CB-CB 3.81Å; L189-L192 HydrophobicContact CB-CD2 4.38Å; L189-L192 HydrophobicContact CD1-CD2 4.07Å; L189-L192 VanDerWaalsContact O-CB 3.28Å; L189-L192 WeakPolarHBondContact O-CB 3.39Å; L189-L192 PolarHBondContact O-N 2.98Å; L192-I194 HydrophobicContact CD2-CD1 3.83Å; L192-I194 HydrophobicContact CD2-CG1 3.79Å; L192-I194 HydrophobicContact CG-CD1 4.21Å; L192-I194 HydrophobicContact CG-CG1 3.68Å
193D98.4Very high95.3Very high95 Ų9580 Ų8051%0.50845%0.449SS..EExtended strand (participates in β ladder)trans-81.1120.7168.5-174.926.6000109.5E165 H166 L167 G191E165-D193 WeakPolarHBondContact O-CB 3.42Å; E165-D193 PolarHBondContact O-N 2.85Å; H166-D193 IonicContact ND1-OD2 3.93Å; L167-D193 PolarHBondContact N-O 3.29Å; G191-D193 PolarHBondContact O-N 3.27Å
194I98.4Very high95.1Very high26 Ų2677.2 Ų77.213%0.13344%0.441CS..EExtended strand (participates in β ladder)trans-119.1114.1-177.2-51.9178.3000108.9L167 V182 L185 Q186 L192 L196L167-I194 WeakPolarHBondContact O-CA 3.29Å; V182-I194 HydrophobicContact CG1-CD1 4.33Å; V182-I194 HydrophobicContact CG2-CG2 4.35Å; L185-I194 HydrophobicContact CB-CD1 3.82Å; L185-I194 HydrophobicContact CD1-CD1 4.06Å; Q186-I194 HydrophobicContact CG-CD1 4.06Å; L192-I194 HydrophobicContact CD2-CD1 3.83Å; L192-I194 HydrophobicContact CD2-CG1 3.79Å; L192-I194 HydrophobicContact CG-CD1 4.21Å; L192-I194 HydrophobicContact CG-CG1 3.68Å; I194-L196 HydrophobicContact CG2-CD2 3.7Å; I194-L196 HydrophobicContact CG2-CG 4.14Å
195E98.2Very high94.9Very high123 Ų12372 Ų7258%0.57543%0.431SS*.EExtended strand (participates in β ladder)trans-101.8127.7172.4-178.5-178.9179.800109.4L167 Y168 L169L167-E195 PolarHBondContact O-N 3.33Å; Y168-E195 HydrophobicContact CD2-CB 3.86Å; Y168-E195 HydrophobicContact CD2-CG 3.69Å; Y168-E195 HydrophobicContact CE2-CG 3.9Å; L169-E195 PolarHBondContact N-O 3.09Å
196L96.3Very high94.7Very high68 Ų6877.1 Ų77.136%0.35646%0.461SS..EExtended strand (participates in β ladder)trans-119.7126.6-176.5-61.2-174.8000111.3L169 V182 I194 L198L169-L196 HydrophobicContact CB-CD2 3.79Å; L169-L196 HydrophobicContact CD1-CD2 3.77Å; L169-L196 HydrophobicContact CG-CD2 4.1Å; L169-L196 WeakPolarHBondContact O-CA 3.21Å; V182-L196 HydrophobicContact CG2-CD1 3.62Å; V182-L196 HydrophobicContact CG2-CD2 4.46Å; V182-L196 HydrophobicContact CG2-CG 4.35Å; I194-L196 HydrophobicContact CG2-CD2 3.7Å; I194-L196 HydrophobicContact CG2-CG 4.14Å; L196-L198 HydrophobicContact CD2-CD1 4.09Å
197D95.4Very high94.5Very high89 Ų8975.9 Ų75.948%0.47646%0.464SS..EExtended strand (participates in β ladder)trans-126.163.1166-175.729.8000109.3Y168 L169 S170 D171Y168-D197 HydrophobicContact CE2-CB 4.39Å; L169-D197 PolarHBondContact O-N 2.82Å; S170-D197 VanDerWaalsContact CA-O 3.27Å; S170-D197 WeakPolarHBondContact CA-O 2.87Å; S170-D197 PolarHBondContact OG-O 3.27Å; S170-D197 PolarHBondContact OG-OD2 3.19Å; D171-D197 PolarHBondContact N-O 2.9Å
198L86.8Confident94.2Very high23 Ų2373.3 Ų73.312%0.1245%0.447CS..  trans-104.5122.5-179-58.4178.4000109.3L169 L172 V175 K178 L196L169-L198 HydrophobicContact CB-CD2 4.41Å; L172-L198 HydrophobicContact CB-CD2 3.75Å; L172-L198 HydrophobicContact CD1-CD2 4.39Å; L172-L198 HydrophobicContact CG-CD2 4.03Å; V175-L198 HydrophobicContact CB-CD1 4.16Å; V175-L198 HydrophobicContact CG1-CD1 3.74Å; K178-L198 HydrophobicContact CB-CD1 4.25Å; L196-L198 HydrophobicContact CD2-CD1 4.09Å
199V70.6Confident93.9Very high192 Ų19275.5 Ų75.5100%1.16445%0.451SS*.  trans-81.70179.5-176.30000111.4

Retrieved 199 of 199 residues in 152.2 ms (Link to these results)

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