A0A077S6Q6_PTEVA Loading...

lysozyme

Lysozymes have primarily a bacteriolytic function; those in tissues and body fluids are associated with the monocyte-macrophage system and enhance the activity of immunoagents.

AlphaFold DB , UniProt , Accession A0A077S6Q6, Species PTEVA (Pteropus vampyrus, Large flying fox), Gene LYZF1, Length 148 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
1M43.4Very low53.4Low238 Ų238159 Ų159100%1.17286%0.861SS**  078.20-63178.8-79.900109.3
2K49.9Very low53.4Low220 Ų220158.5 Ų158.596%0.95786%0.856SS**  trans-146.827.6175.2-76-169176.6-178.80111.1
3A52.3Low53.5Low83 Ų83154 Ų15469%0.68684%0.844SS**  trans-119.1143.4163.400000104.2
4L53.8Low53.5Low172 Ų172151.3 Ų151.390%0.90183%0.834SS**SBendtrans95.497.2-164.6-54160.1000110.8
5L52.3Low53.6Low173 Ų173147.9 Ų147.991%0.90682%0.819SS**SBendtrans158.217.8150.5-80.9174.5000111.6
6I54.3Low54Low173 Ų173146.3 Ų146.389%0.88781%0.807SS**SBendtrans-105.128.8164-52.9-161.5000111
7L54.6Low55.2Low177 Ų177147 Ų14793%0.92780%0.803SS**  trans-126.789.8176.2-144.883.5000109.2
8G55.3Low56.7Low68 Ų68139.9 Ų139.970%0.70177%0.769SS**  trans158.948.7171.800000117.3
9L56.8Low58.8Low141 Ų141135.7 Ų135.774%0.73874%0.743SS**  trans-157.664.1147.2-13975.2000110.8L11L9-L11 HydrophobicContact CD2-CD1 4.16Å; L9-L11 HydrophobicContact CD2-CD2 4.13Å; L9-L11 HydrophobicContact CD2-CG 3.92Å; L9-L11 HydrophobicContact CG-CD2 4.35Å; L9-L11 HydrophobicContact CG-CG 4.05Å; L9-L11 PolarHBondContact O-N 3.41Å
10L55.7Low60.7Low168 Ų168133.2 Ų133.288%0.8873%0.731SS**  trans-6689.1149.6-95.6132.2000105.8L12L10-L12 PolarHBondContact O-N 3.18Å
11L58.8Low62.5Low136 Ų136127.4 Ų127.471%0.71270%0.699SS**  trans-5994.2161.5-75.9162.8000105.8L9 S13L9-L11 HydrophobicContact CD2-CD1 4.16Å; L9-L11 HydrophobicContact CD2-CD2 4.13Å; L9-L11 HydrophobicContact CD2-CG 3.92Å; L9-L11 HydrophobicContact CG-CD2 4.35Å; L9-L11 HydrophobicContact CG-CG 4.05Å; L9-L11 PolarHBondContact O-N 3.41Å; L11-S13 PolarHBondContact O-N 3.11Å
12L53.2Low65.2Low153 Ų153122.9 Ų122.980%0.80168%0.675SS**  trans-6383.7160.2-78.9158.1000105.8L10 V14L10-L12 PolarHBondContact O-N 3.18Å; L12-V14 PolarHBondContact O-N 3.44Å
13S54.9Low67.5Low100 Ų100116 Ų11670%0.69964%0.642SS**  trans-61.690.2156.7320000105.3L11 T15L11-S13 PolarHBondContact O-N 3.11Å; S13-T15 PolarHBondContact O-N 3.29Å
14V54.3Low69.7Low116 Ų116113.4 Ų113.470%0.70362%0.619SS**  trans-59.995.9165.2-177.50000104.2L12 I16L12-V14 PolarHBondContact O-N 3.44Å; V14-I16 HydrophobicContact CG1-CG1 4.45Å; V14-I16 PolarHBondContact O-N 2.99Å
15T54.1Low71.8Confident101 Ų101108 Ų10862%0.6259%0.59SS**  trans-63.7100.6165.747.20000103.8S13 Q17S13-T15 PolarHBondContact O-N 3.29Å; T15-Q17 PolarHBondContact O-N 3.29Å
16I60.9Low74.1Confident122 Ų12299.8 Ų99.863%0.62655%0.547SS*.  trans-68.787.3168-34.6-177000103.2V14 R59V14-I16 HydrophobicContact CG1-CG1 4.45Å; V14-I16 PolarHBondContact O-N 2.99Å; I16-R59 PolarHBondContact O-NH1 3.1Å
17Q73.4Confident76.2Confident158 Ų15891.6 Ų91.674%0.73850%0.504SS*.PPolyproline II helixtrans-70.6131.4171.7-78.7179.5-40.100107.2T15 R59T15-Q17 PolarHBondContact O-N 3.29Å; Q17-R59 PolarHBondContact O-NH1 2.81Å
18G81.9Confident78.3Confident19 Ų1989 Ų8920%0.19648%0.482CS..PPolyproline II helixtrans-67.9143.7177.500000109.8V20 R59G18-V20 PolarHBondContact O-N 3.49Å; G18-R59 VanDerWaalsContact CA-CG 3.49Å; G18-R59 VanDerWaalsContact CA-NH1 3.34Å; G18-R59 VanDerWaalsContact N-NH1 3.12Å
19K96.5Very high80.4Confident61 Ų6186.2 Ų86.227%0.26545%0.451SS..PPolyproline II helixtrans-62.1126.7171.3180172.3178.5179.50110.3Y21 E25 T58 D105K19-Y21 HydrophobicContact CD-CD2 3.94Å; K19-Y21 HydrophobicContact CD-CE1 4.3Å; K19-Y21 HydrophobicContact CD-CE2 3.47Å; K19-Y21 VanDerWaalsContact CD-CE2 3.47Å; K19-Y21 VanDerWaalsContact CE-CE1 3.45Å; K19-Y21 HydrophobicContact CG-CD2 3.9Å; K19-Y21 HydrophobicContact CG-CE2 3.87Å; K19-Y21 PolarHBondContact NZ-OH 3.14Å; K19-E25 WeakPolarHBondContact CE-OE1 3.34Å; K19-E25 IonicContact NZ-OE1 2.76Å; K19-E25 PolarHBondContact NZ-OE1 3.49Å; K19-T58 HydrophobicContact CB-CG2 4.29Å; K19-T58 PolarHBondContact N-OG1 2.87Å; K19-T58 VanDerWaalsContact N-OG1 3.1Å; K19-T58 WeakPolarHBondContact O-CB 3.4Å; K19-T58 WeakPolarHBondContact O-CG2 3.36Å; K19-T58 PolarHBondContact O-N 2.67Å; K19-T58 PolarHBondContact O-OG1 3.46Å; K19-D105 HydrophobicContact CB-CB 3.77Å; K19-D105 VanDerWaalsContact CB-OD1 3.32Å; K19-D105 WeakPolarHBondContact CB-OD1 3.48Å; K19-D105 HydrophobicContact CD-CB 4.23Å; K19-D105 PolarHBondContact N-OD1 2.88Å
20V98.3Very high82.4Confident84 Ų8479.5 Ų79.551%0.50942%0.416SS..BIsolated β-bridgetrans-101.5114.3163.9-177.30000106.6G18 Y56 N57G18-V20 PolarHBondContact O-N 3.49Å; V20-Y56 WeakPolarHBondContact CA-O 3.48Å; V20-N57 HydrophobicContact CG2-CB 4.05Å
21Y98.5Very high84.4Confident12 Ų1275.9 Ų75.95%0.04739%0.393CS..  trans-74.4141.9-179.8-81.5-104.6000111.2K19 E25 F26 T29 Y56 T58 I74 D105 I107K19-Y21 HydrophobicContact CD-CD2 3.94Å; K19-Y21 HydrophobicContact CD-CE1 4.3Å; K19-Y21 HydrophobicContact CD-CE2 3.47Å; K19-Y21 VanDerWaalsContact CD-CE2 3.47Å; K19-Y21 VanDerWaalsContact CE-CE1 3.45Å; K19-Y21 HydrophobicContact CG-CD2 3.9Å; K19-Y21 HydrophobicContact CG-CE2 3.87Å; K19-Y21 PolarHBondContact NZ-OH 3.14Å; Y21-E25 HydrophobicContact CD1-CB 4.35Å; Y21-E25 HydrophobicContact CD1-CG 3.92Å; Y21-E25 HydrophobicContact CE1-CG 4.32Å; Y21-F26 HydrophobicContact CD1-CB 4.18Å; Y21-F26 HydrophobicContact CD1-CD2 4.17Å; Y21-F26 HydrophobicContact CD2-CD2 4.49Å; Y21-F26 HydrophobicContact CG-CB 4.29Å; Y21-F26 HydrophobicContact CG-CD2 4.08Å; Y21-T29 HydrophobicContact CE1-CG2 4.46Å; Y21-Y56 PolarHBondContact N-O 3.12Å; Y21-Y56 VanDerWaalsContact O-CB 3.27Å; Y21-Y56 WeakPolarHBondContact O-CB 3.42Å; Y21-T58 HydrophobicContact CD2-CG2 3.97Å; Y21-T58 HydrophobicContact CE2-CG2 3.66Å; Y21-I74 HydrophobicContact CD2-CD1 3.79Å; Y21-I74 HydrophobicContact CE2-CD1 4.38Å; Y21-I74 HydrophobicContact CG-CD1 4.43Å; Y21-D105 PolarHBondContact OH-O 2.9Å; Y21-I107 HydrophobicContact CE2-CG2 3.82Å
22E98.6Very high86.3Confident143 Ų14378.2 Ų78.267%0.66839%0.393SS*.  trans-70.7145.7162-70.8-60.7152.500110.4C24 E25 F26E22-C24 VanDerWaalsContact C-N 3.34Å; E22-C24 PolarHBondContact O-N 3.05Å; E22-E25 HydrophobicContact CB-CB 4.05Å; E22-E25 PolarHBondContact N-OE2 3.22Å; E22-E25 WeakPolarHBondContact O-CB 3.28Å; E22-E25 PolarHBondContact O-N 2.99Å; E22-F26 PolarHBondContact O-N 2.99Å
23R98.6Very high88.5Confident75 Ų7574 Ų7428%0.28337%0.369SS..Hα-helixtrans-49.8-50.1-174.9-179.9-179.463.582.4-2.5113.1F26 A27 V47 Y56 Q141 Y142 Q144 C146R23-F26 PolarHBondContact O-N 2.76Å; R23-A27 PolarHBondContact O-N 2.88Å; R23-V47 HydrophobicContact CG-CG1 3.98Å; R23-Y56 HydrophobicContact CB-CE2 4.3Å; R23-Q141 PolarHBondContact NH1-O 2.59Å; R23-Q141 VanDerWaalsContact NH1-O 3.16Å; R23-Y142 WeakPolarHBondContact CD-O 3.41Å; R23-Y142 WeakPolarHBondContact CG-O 3.5Å; R23-Y142 VanDerWaalsContact NH1-C 3.29Å; R23-Y142 PolarHBondContact NH1-O 3.45Å; R23-Q144 PolarHBondContact NH1-O 3.02Å; R23-Q144 PolarHBondContact NH2-O 2.94Å; R23-C146 PolarHBondContact NH1-SG 2.64Å
24C98.8Very high90.6Very high29 Ų2971.2 Ų71.220%0.19636%0.356CS..Hα-helixtrans-78.1-23.1-178.9-69.10000114E22 R28 C146E22-C24 VanDerWaalsContact C-N 3.34Å; E22-C24 PolarHBondContact O-N 3.05Å; C24-R28 WeakPolarHBondContact O-CB 3.39Å; C24-R28 WeakPolarHBondContact O-CG 3.26Å; C24-R28 PolarHBondContact O-N 3.22Å; C24-R28 PolarHBondContact O-NE 2.98Å; C24-C146 WeakPolarHBondContact CA-SG 3.47Å; C24-C146 HydrophobicContact CB-CB 3.6Å; C24-C146 WeakPolarHBondContact CB-SG 3.36Å; C24-C146 WeakPolarHBondContact SG-CA 3.38Å; C24-C146 WeakPolarHBondContact SG-CB 3.33Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 3.07Å
25E98.8Very high92.7Very high60 Ų6065.7 Ų65.728%0.2832%0.322SS..Hα-helixtrans-67.2-44.6169.2-172.5-163.5179.200110.2K19 Y21 E22 T29K19-E25 WeakPolarHBondContact CE-OE1 3.34Å; K19-E25 IonicContact NZ-OE1 2.76Å; K19-E25 PolarHBondContact NZ-OE1 3.49Å; Y21-E25 HydrophobicContact CD1-CB 4.35Å; Y21-E25 HydrophobicContact CD1-CG 3.92Å; Y21-E25 HydrophobicContact CE1-CG 4.32Å; E22-E25 HydrophobicContact CB-CB 4.05Å; E22-E25 PolarHBondContact N-OE2 3.22Å; E22-E25 WeakPolarHBondContact O-CB 3.28Å; E22-E25 PolarHBondContact O-N 2.99Å; E25-T29 WeakPolarHBondContact O-CB 3.42Å; E25-T29 PolarHBondContact O-N 3.4Å; E25-T29 PolarHBondContact O-OG1 3.32Å
26F98.8Very high94.8Very high0 Ų064.5 Ų64.50%031%0.312CS..Hα-helixtrans-63-48.9177-170.4-120.3000111.7Y21 E22 R23 R28 T29 L30 V47 A50 Y56 I74 F75 I107Y21-F26 HydrophobicContact CD1-CB 4.18Å; Y21-F26 HydrophobicContact CD1-CD2 4.17Å; Y21-F26 HydrophobicContact CD2-CD2 4.49Å; Y21-F26 HydrophobicContact CG-CB 4.29Å; Y21-F26 HydrophobicContact CG-CD2 4.08Å; E22-F26 PolarHBondContact O-N 2.99Å; R23-F26 PolarHBondContact O-N 2.76Å; F26-R28 PolarHBondContact O-N 3.48Å; F26-T29 WeakPolarHBondContact O-CA 3.38Å; F26-T29 WeakPolarHBondContact O-CB 3.41Å; F26-T29 PolarHBondContact O-N 3.45Å; F26-T29 VanDerWaalsContact O-N 3.07Å; F26-L30 HydrophobicContact CD1-CD1 3.79Å; F26-L30 HydrophobicContact CD1-CG 4.24Å; F26-L30 HydrophobicContact CD2-CG 4.38Å; F26-L30 HydrophobicContact CE1-CD1 3.34Å; F26-L30 HydrophobicContact CE1-CD2 4.33Å; F26-L30 HydrophobicContact CE1-CG 3.95Å; F26-L30 HydrophobicContact CE2-CD1 4.37Å; F26-L30 HydrophobicContact CE2-CD2 3.96Å; F26-L30 HydrophobicContact CE2-CG 4.09Å; F26-L30 HydrophobicContact CG-CD1 4.47Å; F26-L30 HydrophobicContact CG-CG 4.45Å; F26-L30 HydrophobicContact CZ-CD1 3.69Å; F26-L30 HydrophobicContact CZ-CD2 3.79Å; F26-L30 HydrophobicContact CZ-CG 3.88Å; F26-L30 WeakPolarHBondContact O-CG 3.42Å; F26-L30 PolarHBondContact O-N 2.98Å; F26-V47 HydrophobicContact CD1-CG1 4.39Å; F26-V47 HydrophobicContact CD1-CG2 4.19Å; F26-A50 HydrophobicContact CD1-CB 4.18Å; F26-A50 HydrophobicContact CE1-CB 3.29Å; F26-A50 HydrophobicContact CZ-CB 3.58Å; F26-Y56 HydrophobicContact CD1-CD1 4.06Å; F26-Y56 HydrophobicContact CD1-CE1 4.22Å; F26-Y56 HydrophobicContact CE1-CD1 4.48Å; F26-Y56 HydrophobicContact CG-CD1 4.46Å; F26-I74 HydrophobicContact CD2-CD1 3.74Å; F26-I74 HydrophobicContact CE2-CD1 3.37Å; F26-I74 HydrophobicContact CE2-CG1 4.06Å; F26-I74 HydrophobicContact CZ-CD1 3.98Å; F26-I74 HydrophobicContact CZ-CG1 4.21Å; F26-F75 HydrophobicContact CE1-CE1 4.47Å; F26-F75 HydrophobicContact CE2-CZ 4.42Å; F26-F75 AromaticContact CZ-CE1 3.68Å; F26-F75 HydrophobicContact CZ-CE1 3.68Å; F26-F75 AromaticContact CZ-CZ 3.84Å; F26-F75 HydrophobicContact CZ-CZ 3.84Å; F26-I107 HydrophobicContact CD2-CD1 3.96Å; F26-I107 HydrophobicContact CE2-CD1 3.52Å
27A98.9Very high96.6Very high0 Ų060.7 Ų60.70%030%0.303CS..Hα-helixtrans-56.5-46.6178.500000112.4R23 T29 L30 K31 L43 V47 C146 V148R23-A27 PolarHBondContact O-N 2.88Å; A27-T29 VanDerWaalsContact C-N 3.33Å; A27-T29 PolarHBondContact O-N 3.07Å; A27-L30 PolarHBondContact O-N 3.47Å; A27-K31 WeakPolarHBondContact O-CB 3.49Å; A27-K31 PolarHBondContact O-N 2.88Å; A27-L43 HydrophobicContact CB-CD2 4.44Å; A27-V47 HydrophobicContact CB-CG2 3.84Å; A27-C146 HydrophobicContact CB-CB 4.4Å; A27-V148 HydrophobicContact CB-CG2 4.21Å
28R98.9Very high97.8Very high124 Ų12455.8 Ų55.847%0.46828%0.279SS..Hα-helixtrans-62.8-39.8175.4-75.2179.6-68.1151-4.8112.1C24 F26 K31 R32 V148C24-R28 WeakPolarHBondContact O-CB 3.39Å; C24-R28 WeakPolarHBondContact O-CG 3.26Å; C24-R28 PolarHBondContact O-N 3.22Å; C24-R28 PolarHBondContact O-NE 2.98Å; F26-R28 PolarHBondContact O-N 3.48Å; R28-K31 PolarHBondContact O-N 3.27Å; R28-R32 WeakPolarHBondContact O-CG 3.27Å; R28-R32 PolarHBondContact O-N 3.39Å; R28-V148 HydrophobicContact CB-CG1 4.34Å; R28-V148 HydrophobicContact CG-CG1 3.49Å; R28-V148 VanDerWaalsContact CG-CG1 3.49Å
29T98.8Very high98.6Very high8 Ų861.6 Ų61.65%0.04930%0.299CS..Hα-helixtrans-61.9-52.7176.5-60.10000110.8Y21 E25 F26 A27 K31 R32 H33 I107Y21-T29 HydrophobicContact CE1-CG2 4.46Å; E25-T29 WeakPolarHBondContact O-CB 3.42Å; E25-T29 PolarHBondContact O-N 3.4Å; E25-T29 PolarHBondContact O-OG1 3.32Å; F26-T29 WeakPolarHBondContact O-CA 3.38Å; F26-T29 WeakPolarHBondContact O-CB 3.41Å; F26-T29 PolarHBondContact O-N 3.45Å; F26-T29 VanDerWaalsContact O-N 3.07Å; A27-T29 VanDerWaalsContact C-N 3.33Å; A27-T29 PolarHBondContact O-N 3.07Å; T29-K31 VanDerWaalsContact C-N 3.32Å; T29-K31 PolarHBondContact O-N 2.66Å; T29-R32 PolarHBondContact O-N 3.45Å; T29-R32 VanDerWaalsContact O-N 3.14Å; T29-R32 PolarHBondContact OG1-NH2 2.86Å; T29-H33 PolarHBondContact O-CD2 3.36Å; T29-H33 PolarHBondContact O-N 3.37Å; T29-H33 VanDerWaalsContact O-N 3.11Å; T29-I107 HydrophobicContact CG2-CD1 3.86Å; T29-I107 HydrophobicContact CG2-CG1 4.14Å
30L98.9Very high98.7Very high0 Ų062.2 Ų62.20%032%0.323CS..Hα-helixtrans-56.7-43.1177.4-69-175.8000112.8F26 A27 R32 H33 G34 M35 L43 W46 V47 F75 I111F26-L30 HydrophobicContact CD1-CD1 3.79Å; F26-L30 HydrophobicContact CD1-CG 4.24Å; F26-L30 HydrophobicContact CD2-CG 4.38Å; F26-L30 HydrophobicContact CE1-CD1 3.34Å; F26-L30 HydrophobicContact CE1-CD2 4.33Å; F26-L30 HydrophobicContact CE1-CG 3.95Å; F26-L30 HydrophobicContact CE2-CD1 4.37Å; F26-L30 HydrophobicContact CE2-CD2 3.96Å; F26-L30 HydrophobicContact CE2-CG 4.09Å; F26-L30 HydrophobicContact CG-CD1 4.47Å; F26-L30 HydrophobicContact CG-CG 4.45Å; F26-L30 HydrophobicContact CZ-CD1 3.69Å; F26-L30 HydrophobicContact CZ-CD2 3.79Å; F26-L30 HydrophobicContact CZ-CG 3.88Å; F26-L30 WeakPolarHBondContact O-CG 3.42Å; F26-L30 PolarHBondContact O-N 2.98Å; A27-L30 PolarHBondContact O-N 3.47Å; L30-R32 PolarHBondContact O-N 3.2Å; L30-H33 CarbonylContact O-C 3.52Å; L30-H33 PolarHBondContact O-N 3.22Å; L30-G34 PolarHBondContact O-N 2.76Å; L30-M35 HydrophobicContact CB-CB 4.03Å; L30-M35 HydrophobicContact CB-CG 4.32Å; L30-M35 HydrophobicContact CD2-CB 4.5Å; L30-M35 HydrophobicContact CD2-CE 4.2Å; L30-M35 HydrophobicContact CD2-CG 4.04Å; L30-M35 WeakPolarHBondContact O-CB 3.37Å; L30-M35 PolarHBondContact O-N 2.82Å; L30-M35 VanDerWaalsContact O-N 3.07Å; L30-L43 HydrophobicContact CB-CD1 3.52Å; L30-L43 HydrophobicContact CD1-CD1 4.19Å; L30-W46 HydrophobicContact CD1-CB 3.51Å; L30-V47 HydrophobicContact CD1-CG2 4.02Å; L30-F75 HydrophobicContact CD2-CZ 3.89Å; L30-I111 HydrophobicContact CD2-CD1 4Å; L30-I111 HydrophobicContact CD2-CG1 4.1Å
31K98.8Very high98.7Very high92 Ų9258.7 Ų58.740%0.430%0.301SS..Hα-helixtrans-60.5-45.3176.7-173.2165.8-176173.30111.9A27 R28 T29 H33 G34 L43 V148A27-K31 WeakPolarHBondContact O-CB 3.49Å; A27-K31 PolarHBondContact O-N 2.88Å; R28-K31 PolarHBondContact O-N 3.27Å; T29-K31 VanDerWaalsContact C-N 3.32Å; T29-K31 PolarHBondContact O-N 2.66Å; K31-H33 PolarHBondContact O-N 3.41Å; K31-G34 PolarHBondContact O-N 3.23Å; K31-L43 HydrophobicContact CB-CD1 4.43Å; K31-L43 HydrophobicContact CB-CD2 4.1Å; K31-L43 HydrophobicContact CD-CD2 4.43Å; K31-V148 HydrophobicContact CD-CB 3.7Å; K31-V148 HydrophobicContact CD-CG1 3.9Å; K31-V148 PolarHBondContact NZ-OXT 2.9Å
32R98.8Very high98.7Very high185 Ų18560.4 Ų60.470%0.69832%0.315SS*.Hα-helixtrans-59.9-32.7175.7-73.7-173.2-57.9-139.6-0.4113.2R28 T29 L30 G34R28-R32 WeakPolarHBondContact O-CG 3.27Å; R28-R32 PolarHBondContact O-N 3.39Å; T29-R32 PolarHBondContact O-N 3.45Å; T29-R32 VanDerWaalsContact O-N 3.14Å; T29-R32 PolarHBondContact OG1-NH2 2.86Å; L30-R32 PolarHBondContact O-N 3.2Å; R32-G34 VanDerWaalsContact C-N 3.26Å; R32-G34 PolarHBondContact O-N 3.42Å
33H98.7Very high98.7Very high66 Ų6653.9 Ų53.931%0.30629%0.285SS..THydrogen-bonded Turntrans-86.711.6176.2-71.3-84.6000113.6T29 L30 K31 M35 T108 I111 K115T29-H33 PolarHBondContact O-CD2 3.36Å; T29-H33 PolarHBondContact O-N 3.37Å; T29-H33 VanDerWaalsContact O-N 3.11Å; L30-H33 CarbonylContact O-C 3.52Å; L30-H33 PolarHBondContact O-N 3.22Å; K31-H33 PolarHBondContact O-N 3.41Å; H33-M35 PolarHBondContact O-N 3.11Å; H33-T108 PolarHBondContact CE1-OG1 3.42Å; H33-I111 HydrophobicContact CB-CD1 3.77Å; H33-I111 HydrophobicContact CB-CG2 4.07Å; H33-K115 PolarHBondContact O-NZ 3.31Å
34G98.6Very high98.7Very high41 Ų4150.9 Ų50.942%0.42328%0.276SS..THydrogen-bonded Turntrans6537.9175.200000113.2L30 K31 R32L30-G34 PolarHBondContact O-N 2.76Å; K31-G34 PolarHBondContact O-N 3.23Å; R32-G34 VanDerWaalsContact C-N 3.26Å; R32-G34 PolarHBondContact O-N 3.42Å
35M98.8Very high98.7Very high0 Ų051 Ų510%028%0.275CS..  trans-84.7-24.1175.2-70.4-76.4-82.500112.5L30 H33 G37 F38 W46 F75 I111 K115L30-M35 HydrophobicContact CB-CB 4.03Å; L30-M35 HydrophobicContact CB-CG 4.32Å; L30-M35 HydrophobicContact CD2-CB 4.5Å; L30-M35 HydrophobicContact CD2-CE 4.2Å; L30-M35 HydrophobicContact CD2-CG 4.04Å; L30-M35 WeakPolarHBondContact O-CB 3.37Å; L30-M35 PolarHBondContact O-N 2.82Å; L30-M35 VanDerWaalsContact O-N 3.07Å; H33-M35 PolarHBondContact O-N 3.11Å; M35-G37 PolarHBondContact O-N 3Å; M35-F38 WeakPolarHBondContact O-CB 3.04Å; M35-F38 PolarHBondContact O-N 2.05Å; M35-W46 HydrophobicContact CB-CG 4.49Å; M35-W46 HydrophobicContact CE-CD2 3.33Å; M35-W46 VanDerWaalsContact CE-CE2 3.4Å; M35-W46 HydrophobicContact CE-CE3 3.48Å; M35-W46 VanDerWaalsContact CE-CE3 3.48Å; M35-W46 HydrophobicContact CE-CG 3.87Å; M35-W46 HydrophobicContact CE-CH2 3.69Å; M35-W46 HydrophobicContact CE-CZ2 3.6Å; M35-W46 HydrophobicContact CE-CZ3 3.68Å; M35-W46 PolarHBondContact O-NE1 2.99Å; M35-W46 HydrophobicContact SD-CZ2 4.19Å; M35-F75 HydrophobicContact CE-CZ 4.27Å; M35-I111 HydrophobicContact CG-CG2 3.96Å; M35-I111 HydrophobicContact SD-CG2 3.73Å; M35-K115 HydrophobicContact SD-CD 4.33Å; M35-K115 VanDerWaalsContact SD-CE 3.58Å; M35-K115 HydrophobicContact SD-CG 3.8Å
36D98.7Very high98.7Very high75 Ų7548.1 Ų48.140%0.40126%0.261SS..THydrogen-bonded Turntrans-68.7114.5179.3-167.917.2000111.1F38 L43D36-F38 VanDerWaalsContact C-N 3.3Å; D36-F38 PolarHBondContact O-N 2.88Å; D36-L43 HydrophobicContact CB-CB 3.91Å; D36-L43 HydrophobicContact CB-CD1 4.5Å; D36-L43 WeakPolarHBondContact OD1-CB 3.43Å; D36-L43 PolarHBondContact OD1-N 3.43Å
37G98.6Very high98.7Very high42 Ų4248.1 Ų48.143%0.43326%0.261SS..THydrogen-bonded Turntrans81.50.9-176.400000114.5M35 K39 G40 V41M35-G37 PolarHBondContact O-N 3Å; G37-K39 PolarHBondContact O-N 2.83Å; G37-K39 VanDerWaalsContact O-N 3.14Å; G37-G40 PolarHBondContact O-N 2.88Å; G37-V41 CarbonylContact C-O 3.53Å; G37-V41 VanDerWaalsContact CA-O 3.28Å; G37-V41 WeakPolarHBondContact CA-O 3.09Å; G37-V41 PolarHBondContact N-O 3.19Å
38F98.7Very high98.7Very high55 Ų5548.1 Ų48.124%0.24126%0.261CS..BIsolated β-bridgetrans-60.8120.1180-174.5-95.2000110.4M35 D36 G40 V41 K115 V118M35-F38 WeakPolarHBondContact O-CB 3.04Å; M35-F38 PolarHBondContact O-N 2.05Å; D36-F38 VanDerWaalsContact C-N 3.3Å; D36-F38 PolarHBondContact O-N 2.88Å; F38-G40 PolarHBondContact O-N 3.16Å; F38-V41 PolarHBondContact N-O 3.12Å; F38-V41 WeakPolarHBondContact O-CB 3.29Å; F38-V41 PolarHBondContact O-N 3.31Å; F38-K115 HydrophobicContact CD1-CB 4.33Å; F38-K115 HydrophobicContact CD1-CD 4.48Å; F38-K115 HydrophobicContact CD1-CG 3.86Å; F38-K115 HydrophobicContact CD2-CD 4.15Å; F38-K115 HydrophobicContact CD2-CG 4.41Å; F38-K115 HydrophobicContact CE1-CB 3.61Å; F38-K115 HydrophobicContact CE1-CD 4.23Å; F38-K115 HydrophobicContact CE1-CG 3.62Å; F38-K115 HydrophobicContact CE2-CD 3.88Å; F38-K115 HydrophobicContact CE2-CG 4.2Å; F38-K115 HydrophobicContact CG-CD 4.44Å; F38-K115 HydrophobicContact CG-CG 4.25Å; F38-K115 HydrophobicContact CZ-CB 3.74Å; F38-K115 HydrophobicContact CZ-CD 3.93Å; F38-K115 HydrophobicContact CZ-CG 3.81Å; F38-V118 HydrophobicContact CD1-CG2 3.68Å; F38-V118 HydrophobicContact CE1-CG2 3.6Å
39K98.2Very high98.7Very high141 Ų14142.2 Ų42.261%0.61324%0.239SC*.THydrogen-bonded Turntrans52.632.4-173.9-62.7-71.5-174.11740113.4G37 V41 V118 S119G37-K39 PolarHBondContact O-N 2.83Å; G37-K39 VanDerWaalsContact O-N 3.14Å; K39-V41 VanDerWaalsContact C-N 3.29Å; K39-V41 PolarHBondContact O-N 2.94Å; K39-V118 HydrophobicContact CG-CG2 4.48Å; K39-S119 WeakPolarHBondContact CE-OG 3.16Å
40G98.1Very high98.7Very high74 Ų7441.8 Ų41.876%0.76324%0.237SC*.THydrogen-bonded Turntrans78.87.7-179.200000114.5G37 F38G37-G40 PolarHBondContact O-N 2.88Å; F38-G40 PolarHBondContact O-N 3.16Å
41V98.8Very high98.7Very high10 Ų1045 Ų456%0.06125%0.251CS..BIsolated β-bridgetrans-92.6114.1177.6-175.70000109.7G37 F38 K39 N45 W46 I124G37-V41 CarbonylContact C-O 3.53Å; G37-V41 VanDerWaalsContact CA-O 3.28Å; G37-V41 WeakPolarHBondContact CA-O 3.09Å; G37-V41 PolarHBondContact N-O 3.19Å; F38-V41 PolarHBondContact N-O 3.12Å; F38-V41 WeakPolarHBondContact O-CB 3.29Å; F38-V41 PolarHBondContact O-N 3.31Å; K39-V41 VanDerWaalsContact C-N 3.29Å; K39-V41 PolarHBondContact O-N 2.94Å; V41-N45 HydrophobicContact CG1-CB 3.64Å; V41-W46 HydrophobicContact CB-CZ2 4.16Å; V41-W46 HydrophobicContact CG1-CD2 4Å; V41-W46 HydrophobicContact CG1-CG 4.2Å; V41-W46 HydrophobicContact CG1-CZ2 4.04Å; V41-W46 VanDerWaalsContact CG1-NE1 3.35Å; V41-W46 HydrophobicContact CG2-CZ2 4.47Å; V41-I124 HydrophobicContact CG1-CB 4.48Å; V41-I124 HydrophobicContact CG1-CD1 3.42Å; V41-I124 VanDerWaalsContact CG1-CD1 3.42Å; V41-I124 HydrophobicContact CG2-CB 4.01Å; V41-I124 HydrophobicContact CG2-CD1 4.48Å; V41-I124 HydrophobicContact CG2-CG2 4.14Å
42S98.8Very high98.7Very high49 Ų4946 Ų4634%0.34325%0.252SS..  trans-70159.3179.170.40000113A44 N45 W46S42-A44 VanDerWaalsContact C-N 3.27Å; S42-A44 PolarHBondContact O-N 3.14Å; S42-N45 WeakPolarHBondContact O-CB 3.46Å; S42-N45 PolarHBondContact O-N 2.97Å; S42-N45 PolarHBondContact OG-ND2 2.66Å; S42-W46 PolarHBondContact O-N 2.94Å
43L98.9Very high98.7Very high6 Ų639.3 Ų39.33%0.03123%0.229CC..Hα-helixtrans-52.7-43.2177.2-172.359.7000113.4A27 L30 K31 D36 N45 W46 V47 T143 V148A27-L43 HydrophobicContact CB-CD2 4.44Å; L30-L43 HydrophobicContact CB-CD1 3.52Å; L30-L43 HydrophobicContact CD1-CD1 4.19Å; K31-L43 HydrophobicContact CB-CD1 4.43Å; K31-L43 HydrophobicContact CB-CD2 4.1Å; K31-L43 HydrophobicContact CD-CD2 4.43Å; D36-L43 HydrophobicContact CB-CB 3.91Å; D36-L43 HydrophobicContact CB-CD1 4.5Å; D36-L43 WeakPolarHBondContact OD1-CB 3.43Å; D36-L43 PolarHBondContact OD1-N 3.43Å; L43-N45 VanDerWaalsContact C-N 3.25Å; L43-N45 PolarHBondContact O-N 3.18Å; L43-W46 PolarHBondContact O-N 3.29Å; L43-W46 VanDerWaalsContact O-N 3.13Å; L43-V47 HydrophobicContact CG-CG2 4.46Å; L43-V47 WeakPolarHBondContact O-CG2 3.35Å; L43-V47 PolarHBondContact O-N 3.46Å; L43-T143 HydrophobicContact CB-CG2 4.33Å; L43-T143 HydrophobicContact CD2-CG2 4.06Å; L43-T143 HydrophobicContact CG-CG2 3.96Å; L43-V148 HydrophobicContact CD2-CB 3.9Å; L43-V148 HydrophobicContact CD2-CG2 3.55Å
44A98.8Very high98.7Very high12 Ų1236.7 Ų36.710%0.09922%0.218CC..Hα-helixtrans-62-32-179.500000113S42 C48 L139 T143S42-A44 VanDerWaalsContact C-N 3.27Å; S42-A44 PolarHBondContact O-N 3.14Å; A44-C48 VanDerWaalsContact O-CB 3.28Å; A44-C48 WeakPolarHBondContact O-CB 3.42Å; A44-C48 PolarHBondContact O-N 3.46Å; A44-L139 HydrophobicContact CB-CB 3.76Å; A44-T143 HydrophobicContact CB-CG2 4.08Å
45N98.9Very high98.7Very high30 Ų3037.8 Ų37.816%0.1622%0.219CC..Hα-helixtrans-64.8-43.6174.4-81.2-80.1000111.7V41 S42 L43 C48 L49 I124 W130 L139V41-N45 HydrophobicContact CG1-CB 3.64Å; S42-N45 WeakPolarHBondContact O-CB 3.46Å; S42-N45 PolarHBondContact O-N 2.97Å; S42-N45 PolarHBondContact OG-ND2 2.66Å; L43-N45 VanDerWaalsContact C-N 3.25Å; L43-N45 PolarHBondContact O-N 3.18Å; N45-C48 PolarHBondContact O-N 3.1Å; N45-L49 WeakPolarHBondContact O-CB 3.5Å; N45-L49 PolarHBondContact O-N 3.18Å; N45-I124 HydrophobicContact CB-CD1 4Å; N45-W130 WeakPolarHBondContact OD1-CZ2 3.33Å; N45-W130 PolarHBondContact OD1-NE1 3.44Å; N45-L139 HydrophobicContact CB-CD1 4.3Å; N45-L139 VanDerWaalsContact OD1-CD1 3.31Å; N45-L139 WeakPolarHBondContact OD1-CD1 3.47Å
46W98.9Very high98.7Very high0 Ų038.9 Ų38.90%022%0.223CC..Hα-helixtrans-66.7-39.6178.1-67.1115.9000113L30 M35 V41 S42 L43 L49 A50 F75 A114 V118 I124 W127L30-W46 HydrophobicContact CD1-CB 3.51Å; M35-W46 HydrophobicContact CB-CG 4.49Å; M35-W46 HydrophobicContact CE-CD2 3.33Å; M35-W46 VanDerWaalsContact CE-CE2 3.4Å; M35-W46 HydrophobicContact CE-CE3 3.48Å; M35-W46 VanDerWaalsContact CE-CE3 3.48Å; M35-W46 HydrophobicContact CE-CG 3.87Å; M35-W46 HydrophobicContact CE-CH2 3.69Å; M35-W46 HydrophobicContact CE-CZ2 3.6Å; M35-W46 HydrophobicContact CE-CZ3 3.68Å; M35-W46 PolarHBondContact O-NE1 2.99Å; M35-W46 HydrophobicContact SD-CZ2 4.19Å; V41-W46 HydrophobicContact CB-CZ2 4.16Å; V41-W46 HydrophobicContact CG1-CD2 4Å; V41-W46 HydrophobicContact CG1-CG 4.2Å; V41-W46 HydrophobicContact CG1-CZ2 4.04Å; V41-W46 VanDerWaalsContact CG1-NE1 3.35Å; V41-W46 HydrophobicContact CG2-CZ2 4.47Å; S42-W46 PolarHBondContact O-N 2.94Å; L43-W46 PolarHBondContact O-N 3.29Å; L43-W46 VanDerWaalsContact O-N 3.13Å; W46-L49 HydrophobicContact CE3-CD2 3.88Å; W46-L49 HydrophobicContact CZ3-CD2 4.01Å; W46-L49 PolarHBondContact O-N 3Å; W46-A50 PolarHBondContact O-N 2.89Å; W46-A50 VanDerWaalsContact O-N 3.13Å; W46-F75 HydrophobicContact CE3-CE1 4.47Å; W46-A114 HydrophobicContact CH2-CB 4.35Å; W46-A114 HydrophobicContact CZ3-CB 4.12Å; W46-V118 HydrophobicContact CH2-CB 4.19Å; W46-V118 HydrophobicContact CH2-CG1 3.28Å; W46-V118 HydrophobicContact CH2-CG2 3.86Å; W46-V118 HydrophobicContact CZ2-CG1 3.9Å; W46-V118 HydrophobicContact CZ2-CG2 4Å; W46-V118 HydrophobicContact CZ3-CG1 4.09Å; W46-I124 HydrophobicContact CE3-CD1 4.43Å; W46-W127 HydrophobicContact CZ3-CH2 4.3Å
47V98.9Very high98.7Very high0 Ų037.7 Ų37.70%022%0.217CC..Hα-helixtrans-68.4-41.5176.5-177.70000110.5R23 F26 A27 L30 L43 K51 Y56 Y142 T143R23-V47 HydrophobicContact CG-CG1 3.98Å; F26-V47 HydrophobicContact CD1-CG1 4.39Å; F26-V47 HydrophobicContact CD1-CG2 4.19Å; A27-V47 HydrophobicContact CB-CG2 3.84Å; L30-V47 HydrophobicContact CD1-CG2 4.02Å; L43-V47 HydrophobicContact CG-CG2 4.46Å; L43-V47 WeakPolarHBondContact O-CG2 3.35Å; L43-V47 PolarHBondContact O-N 3.46Å; V47-K51 PolarHBondContact O-N 3.19Å; V47-K51 VanDerWaalsContact O-N 3.12Å; V47-Y56 HydrophobicContact CG1-CE1 4.06Å; V47-Y56 WeakPolarHBondContact O-CE1 3.41Å; V47-Y142 HydrophobicContact CG1-CD1 4.15Å; V47-Y142 HydrophobicContact CG1-CG 4.46Å; V47-T143 HydrophobicContact CG2-CG2 4.46Å
48C98.9Very high98.7Very high0 Ų035.7 Ų35.70%020%0.196CC..Hα-helixtrans-60.1-47173.1-177.50000112A44 N45 A50 K51 W52 C134 L139 Y142A44-C48 VanDerWaalsContact O-CB 3.28Å; A44-C48 WeakPolarHBondContact O-CB 3.42Å; A44-C48 PolarHBondContact O-N 3.46Å; N45-C48 PolarHBondContact O-N 3.1Å; C48-A50 PolarHBondContact O-N 3.29Å; C48-K51 WeakPolarHBondContact O-CB 3.41Å; C48-K51 PolarHBondContact O-N 2.98Å; C48-W52 PolarHBondContact O-N 3.49Å; C48-C134 HydrophobicContact CB-CB 3.9Å; C48-C134 WeakPolarHBondContact CB-SG 3.38Å; C48-C134 VanDerWaalsContact SG-CA 3.52Å; C48-C134 WeakPolarHBondContact SG-CB 3.48Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 2.99Å; C48-L139 HydrophobicContact CB-CD1 4.24Å; C48-L139 HydrophobicContact CB-CD2 4.16Å; C48-Y142 HydrophobicContact CB-CD1 4.1Å; C48-Y142 HydrophobicContact CB-CD2 3.66Å; C48-Y142 HydrophobicContact CB-CE1 4.02Å; C48-Y142 HydrophobicContact CB-CE2 3.57Å; C48-Y142 HydrophobicContact CB-CG 3.92Å; C48-Y142 WeakPolarHBondContact SG-CE2 3.42Å
49L98.9Very high98.7Very high0 Ų036.4 Ų36.40%020%0.198CC..Hα-helixtrans-53-56.1177.5171.567.3000111.2N45 W46 K51 W52 E53 F75 W127 W130N45-L49 WeakPolarHBondContact O-CB 3.5Å; N45-L49 PolarHBondContact O-N 3.18Å; W46-L49 HydrophobicContact CE3-CD2 3.88Å; W46-L49 HydrophobicContact CZ3-CD2 4.01Å; W46-L49 PolarHBondContact O-N 3Å; L49-K51 VanDerWaalsContact C-N 3.26Å; L49-K51 PolarHBondContact O-N 3.41Å; L49-W52 PolarHBondContact O-N 3.38Å; L49-W52 VanDerWaalsContact O-N 3.14Å; L49-E53 HydrophobicContact CD1-CG 3.52Å; L49-E53 HydrophobicContact CG-CG 4.13Å; L49-E53 WeakPolarHBondContact O-CB 3.39Å; L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 2.84Å; L49-F75 HydrophobicContact CD2-CD1 4.18Å; L49-W127 HydrophobicContact CD1-CB 3.36Å; L49-W127 HydrophobicContact CD1-CD2 4.12Å; L49-W127 HydrophobicContact CD1-CG 3.38Å; L49-W127 HydrophobicContact CD2-CD2 3.92Å; L49-W127 HydrophobicContact CD2-CE3 4.43Å; L49-W127 HydrophobicContact CD2-CG 4.06Å; L49-W127 HydrophobicContact CD2-CZ2 4.39Å; L49-W127 HydrophobicContact CG-CG 4.34Å; L49-W130 HydrophobicContact CD1-CB 3.78Å
50A98.9Very high98.7Very high0 Ų030.5 Ų30.50%018%0.175CC..Hα-helixtrans-63.2-30.4-178.100000113.2F26 W46 C48 W52 S54 S55 Y56 I74 F75F26-A50 HydrophobicContact CD1-CB 4.18Å; F26-A50 HydrophobicContact CE1-CB 3.29Å; F26-A50 HydrophobicContact CZ-CB 3.58Å; W46-A50 PolarHBondContact O-N 2.89Å; W46-A50 VanDerWaalsContact O-N 3.13Å; C48-A50 PolarHBondContact O-N 3.29Å; A50-W52 VanDerWaalsContact C-N 3.32Å; A50-W52 PolarHBondContact O-N 3.13Å; A50-S54 PolarHBondContact O-N 3.48Å; A50-S54 VanDerWaalsContact O-N 3.12Å; A50-S54 PolarHBondContact O-OG 3.06Å; A50-S54 VanDerWaalsContact O-OG 3.12Å; A50-S55 PolarHBondContact O-N 3.07Å; A50-Y56 HydrophobicContact CB-CD1 3.88Å; A50-Y56 HydrophobicContact CB-CE1 4.22Å; A50-Y56 PolarHBondContact O-N 3.15Å; A50-I74 HydrophobicContact CB-CG1 4.17Å; A50-F75 HydrophobicContact CB-CD1 4.48Å; A50-F75 HydrophobicContact CB-CE1 4.44Å
51K98.8Very high98.7Very high68 Ų6830.9 Ų30.930%0.29616%0.163SC..Hα-helixtrans-60.8-43.2175.1178.363.7-16282.10112V47 C48 L49 S55 Y56 Y142V47-K51 PolarHBondContact O-N 3.19Å; V47-K51 VanDerWaalsContact O-N 3.12Å; C48-K51 WeakPolarHBondContact O-CB 3.41Å; C48-K51 PolarHBondContact O-N 2.98Å; L49-K51 VanDerWaalsContact C-N 3.26Å; L49-K51 PolarHBondContact O-N 3.41Å; K51-S55 PolarHBondContact NZ-OG 3.07Å; K51-S55 VanDerWaalsContact NZ-OG 3.1Å; K51-S55 WeakPolarHBondContact O-CA 3.2Å; K51-S55 PolarHBondContact O-N 3.5Å; K51-S55 PolarHBondContact O-OG 3.3Å; K51-Y56 HydrophobicContact CB-CE1 3.83Å; K51-Y56 HydrophobicContact CB-CE2 4.35Å; K51-Y56 WeakPolarHBondContact CB-OH 3.44Å; K51-Y56 HydrophobicContact CD-CD2 4.31Å; K51-Y56 HydrophobicContact CD-CE2 3.51Å; K51-Y56 HydrophobicContact CG-CE2 4.49Å; K51-Y142 HydrophobicContact CB-CE1 3.91Å; K51-Y142 HydrophobicContact CG-CE1 4.06Å
52W98.8Very high98.7Very high111 Ų11134.1 Ų34.142%0.4218%0.179SC..Hα-helixtrans-90.1-26.4-173-69.9108.6000113.2C48 L49 A50 A129 H133 Y142C48-W52 PolarHBondContact O-N 3.49Å; L49-W52 PolarHBondContact O-N 3.38Å; L49-W52 VanDerWaalsContact O-N 3.14Å; A50-W52 VanDerWaalsContact C-N 3.32Å; A50-W52 PolarHBondContact O-N 3.13Å; W52-A129 HydrophobicContact CB-CB 3.94Å; W52-H133 HydrophobicContact CB-CB 4.24Å; W52-H133 HydrophobicContact CD2-CB 3.59Å; W52-H133 AromaticContact CD2-CG 3.52Å; W52-H133 AromaticContact CD2-ND1 3.71Å; W52-H133 AromaticContact CE2-CG 3.85Å; W52-H133 AromaticContact CE2-ND1 3.88Å; W52-H133 HydrophobicContact CE3-CB 4.35Å; W52-H133 AromaticContact CE3-CE1 3.8Å; W52-H133 AromaticContact CE3-CG 3.77Å; W52-H133 AromaticContact CE3-ND1 3.58Å; W52-H133 HydrophobicContact CG-CB 3.5Å; W52-H133 VanDerWaalsContact CG-CB 3.5Å; W52-H133 AromaticContact CG-CG 3.77Å; W52-H133 AromaticContact CH2-ND1 3.84Å; W52-H133 HydrophobicContact CZ2-CB 4.32Å; W52-H133 AromaticContact CZ2-ND1 3.95Å; W52-H133 AromaticContact CZ3-CE1 3.84Å; W52-H133 AromaticContact CZ3-ND1 3.65Å; W52-Y142 PolarHBondContact NE1-OH 2.81Å
53E98.8Very high98.7Very high45 Ų4537.8 Ų37.821%0.2119%0.187CC..Hα-helixtrans-77.1-47.3175.1-71.4-63.1174.300112.3L49 Q76 A129L49-E53 HydrophobicContact CD1-CG 3.52Å; L49-E53 HydrophobicContact CG-CG 4.13Å; L49-E53 WeakPolarHBondContact O-CB 3.39Å; L49-E53 WeakPolarHBondContact O-CG 3.43Å; L49-E53 PolarHBondContact O-N 2.84Å; E53-Q76 HydrophobicContact CB-CB 3.95Å; E53-Q76 HydrophobicContact CB-CG 3.68Å; E53-Q76 HydrophobicContact CG-CB 4.29Å; E53-Q76 VanDerWaalsContact O-CG 3.25Å; E53-Q76 WeakPolarHBondContact O-CG 3.36Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.31Å; E53-A129 VanDerWaalsContact CD-CB 3.41Å; E53-A129 HydrophobicContact CG-CB 3.92Å; E53-A129 WeakPolarHBondContact OE1-CB 3.33Å; E53-A129 PolarHBondContact OE1-N 3.25Å
54S98.8Very high98.7Very high12 Ų1239.4 Ų39.48%0.08420%0.196CC..Hα-helixtrans-133.6-2.4-168.164.80000114.8A50 Y56 N57 I74A50-S54 PolarHBondContact O-N 3.48Å; A50-S54 VanDerWaalsContact O-N 3.12Å; A50-S54 PolarHBondContact O-OG 3.06Å; A50-S54 VanDerWaalsContact O-OG 3.12Å; S54-Y56 PolarHBondContact O-N 2.94Å; S54-Y56 PolarHBondContact OG-N 2.84Å; S54-N57 VanDerWaalsContact O-CB 3.25Å; S54-N57 WeakPolarHBondContact O-CB 3.27Å; S54-N57 PolarHBondContact O-N 2.64Å; S54-N57 VanDerWaalsContact O-N 3.13Å; S54-N57 PolarHBondContact OG-N 3.41Å; S54-I74 WeakPolarHBondContact CB-O 3.36Å; S54-I74 WeakPolarHBondContact OG-CA 3.49Å; S54-I74 PolarHBondContact OG-O 3.16Å
55S98.6Very high98.6Very high64 Ų6443.7 Ų43.745%0.44822%0.222SC..THydrogen-bonded Turntrans4942.5-163.2-67.40000112.1A50 K51 N57A50-S55 PolarHBondContact O-N 3.07Å; K51-S55 PolarHBondContact NZ-OG 3.07Å; K51-S55 VanDerWaalsContact NZ-OG 3.1Å; K51-S55 WeakPolarHBondContact O-CA 3.2Å; K51-S55 PolarHBondContact O-N 3.5Å; K51-S55 PolarHBondContact O-OG 3.3Å; S55-N57 PolarHBondContact O-N 3.05Å
56Y98.8Very high98.5Very high22 Ų2246.3 Ų46.39%0.08626%0.257CS..THydrogen-bonded Turntrans64.115.1-179.9-43-62.6000115.6V20 Y21 R23 F26 V47 A50 K51 S54 I74V20-Y56 WeakPolarHBondContact CA-O 3.48Å; Y21-Y56 PolarHBondContact N-O 3.12Å; Y21-Y56 VanDerWaalsContact O-CB 3.27Å; Y21-Y56 WeakPolarHBondContact O-CB 3.42Å; R23-Y56 HydrophobicContact CB-CE2 4.3Å; F26-Y56 HydrophobicContact CD1-CD1 4.06Å; F26-Y56 HydrophobicContact CD1-CE1 4.22Å; F26-Y56 HydrophobicContact CE1-CD1 4.48Å; F26-Y56 HydrophobicContact CG-CD1 4.46Å; V47-Y56 HydrophobicContact CG1-CE1 4.06Å; V47-Y56 WeakPolarHBondContact O-CE1 3.41Å; A50-Y56 HydrophobicContact CB-CD1 3.88Å; A50-Y56 HydrophobicContact CB-CE1 4.22Å; A50-Y56 PolarHBondContact O-N 3.15Å; K51-Y56 HydrophobicContact CB-CE1 3.83Å; K51-Y56 HydrophobicContact CB-CE2 4.35Å; K51-Y56 WeakPolarHBondContact CB-OH 3.44Å; K51-Y56 HydrophobicContact CD-CD2 4.31Å; K51-Y56 HydrophobicContact CD-CE2 3.51Å; K51-Y56 HydrophobicContact CG-CE2 4.49Å; S54-Y56 PolarHBondContact O-N 2.94Å; S54-Y56 PolarHBondContact OG-N 2.84Å; Y56-I74 WeakPolarHBondContact O-CD1 3.49Å
57N98.6Very high98.4Very high50 Ų5049 Ų4927%0.26727%0.271SS..BIsolated β-bridgetrans-86116.9179.9-176.4-5.1000111.5V20 S54 S55 R59 A60V20-N57 HydrophobicContact CG2-CB 4.05Å; S54-N57 VanDerWaalsContact O-CB 3.25Å; S54-N57 WeakPolarHBondContact O-CB 3.27Å; S54-N57 PolarHBondContact O-N 2.64Å; S54-N57 VanDerWaalsContact O-N 3.13Å; S54-N57 PolarHBondContact OG-N 3.41Å; S55-N57 PolarHBondContact O-N 3.05Å; N57-R59 PolarHBondContact O-N 2.93Å; N57-R59 PolarHBondContact OD1-N 2.86Å; N57-A60 HydrophobicContact CB-CB 4.25Å; N57-A60 WeakPolarHBondContact O-CB 3.48Å; N57-A60 PolarHBondContact O-N 2.89Å
58T98.7Very high98.4Very high0 Ų054.9 Ų54.90%030%0.296CS..THydrogen-bonded Turntrans-65.8-20.9177.955.40000114K19 Y21 G73 I74 M103 D105 I107K19-T58 HydrophobicContact CB-CG2 4.29Å; K19-T58 PolarHBondContact N-OG1 2.87Å; K19-T58 VanDerWaalsContact N-OG1 3.1Å; K19-T58 WeakPolarHBondContact O-CB 3.4Å; K19-T58 WeakPolarHBondContact O-CG2 3.36Å; K19-T58 PolarHBondContact O-N 2.67Å; K19-T58 PolarHBondContact O-OG1 3.46Å; Y21-T58 HydrophobicContact CD2-CG2 3.97Å; Y21-T58 HydrophobicContact CE2-CG2 3.66Å; T58-G73 VanDerWaalsContact O-CA 3.25Å; T58-G73 WeakPolarHBondContact O-CA 3.47Å; T58-I74 HydrophobicContact CG2-CB 4.47Å; T58-I74 HydrophobicContact CG2-CD1 4.22Å; T58-M103 WeakPolarHBondContact O-CA 3.29Å; T58-D105 PolarHBondContact OG1-OD1 3.13Å; T58-I107 HydrophobicContact CG2-CG2 3.62Å
59R97.7Very high98.3Very high71 Ų7154.9 Ų54.927%0.26830%0.296SS..THydrogen-bonded Turntrans-103.512.9177.5-73.2-162.9169.9107.918.5114.4I16 Q17 G18 N57 T61 M103I16-R59 PolarHBondContact O-NH1 3.1Å; Q17-R59 PolarHBondContact O-NH1 2.81Å; G18-R59 VanDerWaalsContact CA-CG 3.49Å; G18-R59 VanDerWaalsContact CA-NH1 3.34Å; G18-R59 VanDerWaalsContact N-NH1 3.12Å; N57-R59 PolarHBondContact O-N 2.93Å; N57-R59 PolarHBondContact OD1-N 2.86Å; R59-T61 PolarHBondContact O-N 3.3Å; R59-M103 HydrophobicContact CB-CE 4.02Å; R59-M103 HydrophobicContact CG-CE 4.23Å; R59-M103 WeakPolarHBondContact O-CE 3.37Å
60A98.3Very high98.3Very high17 Ų1755.4 Ų55.414%0.1430%0.299CS..  trans-60.5136.2174.800000111.1N57 G73 Q76N57-A60 HydrophobicContact CB-CB 4.25Å; N57-A60 WeakPolarHBondContact O-CB 3.48Å; N57-A60 PolarHBondContact O-N 2.89Å; A60-G73 PolarHBondContact O-N 3.15Å; A60-Q76 PolarHBondContact O-NE2 3.02Å
61T98.5Very high98.3Very high82 Ų8256.5 Ų56.550%0.50331%0.305SS..EExtended strand (participates in β ladder)trans-138.3141.9171.557.60000110.6R59 D71 Y72 M103R59-T61 PolarHBondContact O-N 3.3Å; T61-D71 VanDerWaalsContact CA-O 3.22Å; T61-D71 WeakPolarHBondContact CA-O 3.24Å; T61-Y72 HydrophobicContact CG2-CD1 4.07Å; T61-Y72 HydrophobicContact CG2-CE1 4.3Å; T61-M103 HydrophobicContact CG2-CE 3.5Å; T61-M103 HydrophobicContact CG2-SD 3.98Å
62N98.5Very high98.3Very high77 Ų7754.3 Ų54.341%0.41230%0.295SS..EExtended strand (participates in β ladder)trans-131121.4174.4175.558.3000109.6N64 T70 D71N62-N64 PolarHBondContact ND2-OD1 2.82Å; N62-T70 CarbonylContact O-C 3.52Å; N62-T70 VanDerWaalsContact O-CA 3.27Å; N62-T70 WeakPolarHBondContact O-CA 3.15Å; N62-T70 WeakPolarHBondContact O-CG2 3.01Å; N62-D71 HydrophobicContact CB-CB 4.21Å; N62-D71 PolarHBondContact N-O 3.21Å; N62-D71 PolarHBondContact ND2-OD2 3.46Å; N62-D71 PolarHBondContact O-N 3.08Å
63Y98.6Very high98.3Very high126 Ų12649 Ų4949%0.49428%0.275SS..EExtended strand (participates in β ladder)trans-87.1134.4178.4177.9-109.2000110.2P65 S69 T70Y63-P65 HydrophobicContact CD1-CG 4.06Å; Y63-P65 HydrophobicContact CE1-CB 4.16Å; Y63-P65 HydrophobicContact CE1-CG 4.06Å; Y63-P65 WeakPolarHBondContact O-CD 3.32Å; Y63-S69 VanDerWaalsContact CD2-O 3.28Å; Y63-S69 WeakPolarHBondContact CD2-O 3.48Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.37Å
64N98.3Very high98.3Very high41 Ų4146.9 Ų46.922%0.21927%0.265CS..EExtended strand (participates in β ladder)trans-108.1101.4-179.1-63.8-56.5000109.8N62 G66 D67 K68 S69 D71 N78N62-N64 PolarHBondContact ND2-OD1 2.82Å; N64-G66 PolarHBondContact O-N 2.75Å; N64-D67 WeakPolarHBondContact CB-OD1 3.48Å; N64-K68 VanDerWaalsContact O-CA 3.25Å; N64-K68 WeakPolarHBondContact O-CA 3.43Å; N64-K68 PolarHBondContact O-N 2.84Å; N64-S69 WeakPolarHBondContact CB-OG 3.42Å; N64-S69 PolarHBondContact N-O 3.09Å; N64-S69 PolarHBondContact ND2-OG 2.87Å; N64-S69 PolarHBondContact O-N 2.93Å; N64-D71 PolarHBondContact ND2-OD1 3.23Å; N64-D71 PolarHBondContact ND2-OD2 3.47Å; N64-N78 PolarHBondContact ND2-ND2 3.16Å
65P97.2Very high98.4Very high102 Ų10246.3 Ų46.366%0.66226%0.261SS*.THydrogen-bonded Turntrans-65-26.9-174.3-22.734.1000114.1Y63Y63-P65 HydrophobicContact CD1-CG 4.06Å; Y63-P65 HydrophobicContact CE1-CB 4.16Å; Y63-P65 HydrophobicContact CE1-CG 4.06Å; Y63-P65 WeakPolarHBondContact O-CD 3.32Å
66G96.9Very high98.4Very high85 Ų8544 Ų4488%0.87624%0.244SC*.THydrogen-bonded Turntrans-65.1-39.7-174.300000113.9N64N64-G66 PolarHBondContact O-N 2.75Å
67D96.6Very high98.4Very high57 Ų5743.2 Ų43.231%0.30524%0.241SC..THydrogen-bonded Turntrans-121.14.3179.570.1-9.9000113.2N64 S69 H80N64-D67 WeakPolarHBondContact CB-OD1 3.48Å; D67-S69 VanDerWaalsContact CG-OG 3.24Å; D67-S69 PolarHBondContact O-N 2.8Å; D67-S69 VanDerWaalsContact OD1-CB 3.26Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 3.5Å; D67-S69 PolarHBondContact OD1-OG 2.75Å; D67-S69 PolarHBondContact OD2-OG 2.77Å; D67-H80 IonicContact OD2-ND1 2.66Å
68K98.3Very high98.4Very high123 Ų12341.9 Ų41.954%0.53523%0.234SC..THydrogen-bonded Turntrans6120.1-178.6-51.8178.1-178.9178.60113.7N64 P89N64-K68 VanDerWaalsContact O-CA 3.25Å; N64-K68 WeakPolarHBondContact O-CA 3.43Å; N64-K68 PolarHBondContact O-N 2.84Å; K68-P89 HydrophobicContact CB-CG 4.29Å; K68-P89 HydrophobicContact CD-CG 4.15Å
69S98.8Very high98.4Very high0 Ų041.9 Ų41.90%023%0.234CC..EExtended strand (participates in β ladder)trans-81.2173.9173.970.80000111.9Y63 N64 D67 N78Y63-S69 VanDerWaalsContact CD2-O 3.28Å; Y63-S69 WeakPolarHBondContact CD2-O 3.48Å; N64-S69 WeakPolarHBondContact CB-OG 3.42Å; N64-S69 PolarHBondContact N-O 3.09Å; N64-S69 PolarHBondContact ND2-OG 2.87Å; N64-S69 PolarHBondContact O-N 2.93Å; D67-S69 VanDerWaalsContact CG-OG 3.24Å; D67-S69 PolarHBondContact O-N 2.8Å; D67-S69 VanDerWaalsContact OD1-CB 3.26Å; D67-S69 WeakPolarHBondContact OD1-CB 3.44Å; D67-S69 PolarHBondContact OD1-N 3.5Å; D67-S69 PolarHBondContact OD1-OG 2.75Å; D67-S69 PolarHBondContact OD2-OG 2.77Å; S69-N78 PolarHBondContact OG-ND2 2.93Å
70T98.9Very high98.4Very high10 Ų1040.3 Ų40.36%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-141.5140.8173.4-56.10000109.1N62 Y63 Y72 S79 K87N62-T70 CarbonylContact O-C 3.52Å; N62-T70 VanDerWaalsContact O-CA 3.27Å; N62-T70 WeakPolarHBondContact O-CA 3.15Å; N62-T70 WeakPolarHBondContact O-CG2 3.01Å; Y63-T70 WeakPolarHBondContact CD2-OG1 3.37Å; T70-Y72 VanDerWaalsContact CB-CE2 3.41Å; T70-Y72 WeakPolarHBondContact CB-OH 3.44Å; T70-Y72 HydrophobicContact CG2-CD2 4.28Å; T70-Y72 HydrophobicContact CG2-CE1 4.06Å; T70-Y72 HydrophobicContact CG2-CE2 3.66Å; T70-Y72 WeakPolarHBondContact O-CD2 3.08Å; T70-Y72 WeakPolarHBondContact O-CE2 3.34Å; T70-S79 PolarHBondContact N-OG 2.78Å; T70-S79 PolarHBondContact O-N 3.21Å; T70-S79 PolarHBondContact O-OG 2.89Å; T70-K87 PolarHBondContact OG1-NZ 3.1Å
71D98.9Very high98.4Very high23 Ų2345 Ų4512%0.12324%0.244CC..EExtended strand (participates in β ladder)trans-91.5136.5173.8-52.3-48.4000109.8T61 N62 N64 Q76 N78T61-D71 VanDerWaalsContact CA-O 3.22Å; T61-D71 WeakPolarHBondContact CA-O 3.24Å; N62-D71 HydrophobicContact CB-CB 4.21Å; N62-D71 PolarHBondContact N-O 3.21Å; N62-D71 PolarHBondContact ND2-OD2 3.46Å; N62-D71 PolarHBondContact O-N 3.08Å; N64-D71 PolarHBondContact ND2-OD1 3.23Å; N64-D71 PolarHBondContact ND2-OD2 3.47Å; D71-Q76 HydrophobicContact CB-CB 3.84Å; D71-Q76 HydrophobicContact CB-CG 4.42Å; D71-N78 VanDerWaalsContact OD1-CB 3.29Å; D71-N78 WeakPolarHBondContact OD1-CB 3.43Å; D71-N78 PolarHBondContact OD1-ND2 2.97Å
72Y98.9Very high98.5Very high23 Ų2343.3 Ų43.39%0.0923%0.229CC..EExtended strand (participates in β ladder)trans-123.7132.6-170.3-69.3-89.3000113.6T61 T70 Q76 I77 D85 K87 C99 M103T61-Y72 HydrophobicContact CG2-CD1 4.07Å; T61-Y72 HydrophobicContact CG2-CE1 4.3Å; T70-Y72 VanDerWaalsContact CB-CE2 3.41Å; T70-Y72 WeakPolarHBondContact CB-OH 3.44Å; T70-Y72 HydrophobicContact CG2-CD2 4.28Å; T70-Y72 HydrophobicContact CG2-CE1 4.06Å; T70-Y72 HydrophobicContact CG2-CE2 3.66Å; T70-Y72 WeakPolarHBondContact O-CD2 3.08Å; T70-Y72 WeakPolarHBondContact O-CE2 3.34Å; Y72-Q76 WeakPolarHBondContact O-CA 3.4Å; Y72-Q76 PolarHBondContact O-N 3.49Å; Y72-I77 PolarHBondContact N-O 2.96Å; Y72-I77 PolarHBondContact O-N 3.33Å; Y72-D85 HydrophobicContact CE2-CB 4.11Å; Y72-D85 VanDerWaalsContact OH-CB 3.32Å; Y72-D85 WeakPolarHBondContact OH-CB 3.47Å; Y72-D85 PolarHBondContact OH-OD2 2.95Å; Y72-D85 VanDerWaalsContact OH-OD2 3.14Å; Y72-K87 PolarHBondContact OH-NZ 2.93Å; Y72-C99 HydrophobicContact CD1-CB 3.82Å; Y72-C99 HydrophobicContact CD2-CB 3.58Å; Y72-C99 HydrophobicContact CE1-CB 3.91Å; Y72-C99 HydrophobicContact CE2-CB 3.67Å; Y72-C99 HydrophobicContact CG-CB 3.67Å; Y72-M103 HydrophobicContact CD1-CG 4.15Å; Y72-M103 HydrophobicContact CD1-SD 3.65Å; Y72-M103 HydrophobicContact CE1-SD 4.21Å
73G98.7Very high98.5Very high0 Ų039.7 Ų39.70%021%0.209CC..THydrogen-bonded Turntrans72.3-163164.200000114.9T58 A60 F75 Q76T58-G73 VanDerWaalsContact O-CA 3.25Å; T58-G73 WeakPolarHBondContact O-CA 3.47Å; A60-G73 PolarHBondContact O-N 3.15Å; G73-F75 PolarHBondContact O-N 2.89Å; G73-F75 VanDerWaalsContact O-N 3.1Å; G73-Q76 PolarHBondContact O-N 2.95Å; G73-Q76 PolarHBondContact O-NE2 3.26Å
74I98.9Very high98.5Very high0 Ų037.7 Ų37.70%021%0.207CC..THydrogen-bonded Turntrans-62-26-167.7-163.7157.3000114Y21 F26 A50 S54 Y56 T58 I107 A110Y21-I74 HydrophobicContact CD2-CD1 3.79Å; Y21-I74 HydrophobicContact CE2-CD1 4.38Å; Y21-I74 HydrophobicContact CG-CD1 4.43Å; F26-I74 HydrophobicContact CD2-CD1 3.74Å; F26-I74 HydrophobicContact CE2-CD1 3.37Å; F26-I74 HydrophobicContact CE2-CG1 4.06Å; F26-I74 HydrophobicContact CZ-CD1 3.98Å; F26-I74 HydrophobicContact CZ-CG1 4.21Å; A50-I74 HydrophobicContact CB-CG1 4.17Å; S54-I74 WeakPolarHBondContact CB-O 3.36Å; S54-I74 WeakPolarHBondContact OG-CA 3.49Å; S54-I74 PolarHBondContact OG-O 3.16Å; Y56-I74 WeakPolarHBondContact O-CD1 3.49Å; T58-I74 HydrophobicContact CG2-CB 4.47Å; T58-I74 HydrophobicContact CG2-CD1 4.22Å; I74-I107 HydrophobicContact CG2-CG2 4.1Å; I74-A110 HydrophobicContact CG2-CB 4.3Å
75F98.9Very high98.5Very high0 Ų037.3 Ų37.30%021%0.205CC..THydrogen-bonded Turntrans-104.75.3177.3-59.4-59.5000113.7F26 L30 M35 W46 L49 A50 G73 I77 A110 I111 A114 W127F26-F75 HydrophobicContact CE1-CE1 4.47Å; F26-F75 HydrophobicContact CE2-CZ 4.42Å; F26-F75 AromaticContact CZ-CE1 3.68Å; F26-F75 HydrophobicContact CZ-CE1 3.68Å; F26-F75 AromaticContact CZ-CZ 3.84Å; F26-F75 HydrophobicContact CZ-CZ 3.84Å; L30-F75 HydrophobicContact CD2-CZ 3.89Å; M35-F75 HydrophobicContact CE-CZ 4.27Å; W46-F75 HydrophobicContact CE3-CE1 4.47Å; L49-F75 HydrophobicContact CD2-CD1 4.18Å; A50-F75 HydrophobicContact CB-CD1 4.48Å; A50-F75 HydrophobicContact CB-CE1 4.44Å; G73-F75 PolarHBondContact O-N 2.89Å; G73-F75 VanDerWaalsContact O-N 3.1Å; F75-I77 VanDerWaalsContact C-N 3.32Å; F75-I77 HydrophobicContact CB-CD1 4.11Å; F75-I77 HydrophobicContact CB-CG1 3.98Å; F75-I77 HydrophobicContact CD2-CD1 4.42Å; F75-I77 PolarHBondContact O-N 3.46Å; F75-A110 HydrophobicContact CD2-CB 3.96Å; F75-A110 HydrophobicContact CE2-CB 4.13Å; F75-I111 HydrophobicContact CE2-CG1 4.03Å; F75-I111 HydrophobicContact CZ-CG1 4.27Å; F75-A114 HydrophobicContact CD2-CB 3.85Å; F75-A114 HydrophobicContact CE2-CB 4.05Å; F75-A114 HydrophobicContact CG-CB 4.3Å; F75-W127 PolarHBondContact O-NE1 2.91Å
76Q98.8Very high98.6Very high16 Ų1635.8 Ų35.88%0.07521%0.208CC..THydrogen-bonded Turntrans47.652.7-177.7-69.3-62.3-88.100112.5E53 A60 D71 Y72 G73 N78E53-Q76 HydrophobicContact CB-CB 3.95Å; E53-Q76 HydrophobicContact CB-CG 3.68Å; E53-Q76 HydrophobicContact CG-CB 4.29Å; E53-Q76 VanDerWaalsContact O-CG 3.25Å; E53-Q76 WeakPolarHBondContact O-CG 3.36Å; E53-Q76 WeakPolarHBondContact OE2-CB 3.31Å; A60-Q76 PolarHBondContact O-NE2 3.02Å; D71-Q76 HydrophobicContact CB-CB 3.84Å; D71-Q76 HydrophobicContact CB-CG 4.42Å; Y72-Q76 WeakPolarHBondContact O-CA 3.4Å; Y72-Q76 PolarHBondContact O-N 3.49Å; G73-Q76 PolarHBondContact O-N 2.95Å; G73-Q76 PolarHBondContact O-NE2 3.26Å; Q76-N78 PolarHBondContact O-N 2.04Å
77I98.9Very high98.6Very high4 Ų437.1 Ų37.12%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-75.8123.5-178.8-70.7163.6000109.2Y72 F75 W82 L102 C113Y72-I77 PolarHBondContact N-O 2.96Å; Y72-I77 PolarHBondContact O-N 3.33Å; F75-I77 VanDerWaalsContact C-N 3.32Å; F75-I77 HydrophobicContact CB-CD1 4.11Å; F75-I77 HydrophobicContact CB-CG1 3.98Å; F75-I77 HydrophobicContact CD2-CD1 4.42Å; F75-I77 PolarHBondContact O-N 3.46Å; I77-W82 HydrophobicContact CG2-CB 3.34Å; I77-W82 HydrophobicContact CG2-CG 3.94Å; I77-L102 HydrophobicContact CB-CD1 3.86Å; I77-L102 HydrophobicContact CD1-CD1 4.19Å; I77-L102 HydrophobicContact CG2-CD1 3.72Å; I77-C113 HydrophobicContact CD1-CB 3.95Å
78N98.8Very high98.7Very high23 Ų2335 Ų3512%0.12318%0.179CC..EExtended strand (participates in β ladder)trans-78.6133.3-172.5-173.2-87.3000113.6N64 S69 D71 Q76 H80 Y81 W82N64-N78 PolarHBondContact ND2-ND2 3.16Å; S69-N78 PolarHBondContact OG-ND2 2.93Å; D71-N78 VanDerWaalsContact OD1-CB 3.29Å; D71-N78 WeakPolarHBondContact OD1-CB 3.43Å; D71-N78 PolarHBondContact OD1-ND2 2.97Å; Q76-N78 PolarHBondContact O-N 2.04Å; N78-H80 VanDerWaalsContact C-N 3.3Å; N78-H80 PolarHBondContact O-N 3.03Å; N78-H80 WeakPolarHBondContact OD1-CA 3.4Å; N78-H80 WeakPolarHBondContact OD1-CB 3.47Å; N78-H80 PolarHBondContact OD1-N 3.43Å; N78-Y81 HydrophobicContact CB-CD2 4.41Å; N78-Y81 PolarHBondContact O-N 3.3Å; N78-W82 PolarHBondContact O-N 2.93Å; N78-W82 VanDerWaalsContact O-N 3.13Å
79S98.8Very high98.7Very high0 Ų031.9 Ų31.90%017%0.171CC..THydrogen-bonded Turntrans-71.3-14179.856.90000115.6T70 Y81 C83 T88 A91T70-S79 PolarHBondContact N-OG 2.78Å; T70-S79 PolarHBondContact O-N 3.21Å; T70-S79 PolarHBondContact O-OG 2.89Å; S79-Y81 PolarHBondContact O-N 3.31Å; S79-C83 WeakPolarHBondContact CA-O 3Å; S79-C83 VanDerWaalsContact O-O 3.04Å; S79-T88 WeakPolarHBondContact CB-OG1 3.42Å; S79-T88 PolarHBondContact OG-OG1 3.45Å; S79-A91 WeakPolarHBondContact O-CB 3.19Å
80H98.7Very high98.6Very high38 Ų3842.9 Ų42.918%0.17621%0.212CC..THydrogen-bonded Turntrans-68-29176.2-159.895.1000111.5D67 N78 T88 A91 V92D67-H80 IonicContact OD2-ND1 2.66Å; N78-H80 VanDerWaalsContact C-N 3.3Å; N78-H80 PolarHBondContact O-N 3.03Å; N78-H80 WeakPolarHBondContact OD1-CA 3.4Å; N78-H80 WeakPolarHBondContact OD1-CB 3.47Å; N78-H80 PolarHBondContact OD1-N 3.43Å; H80-T88 HydrophobicContact CB-CG2 4.24Å; H80-A91 VanDerWaalsContact O-CA 3.32Å; H80-A91 WeakPolarHBondContact O-CA 3.45Å; H80-V92 PolarHBondContact O-N 3.14Å
81Y98.6Very high98.6Very high115 Ų11544.1 Ų44.145%0.45122%0.224SC..THydrogen-bonded Turntrans-120.6-36-170.2-52.1-75.2000114.3N78 S79 V92 G94N78-Y81 HydrophobicContact CB-CD2 4.41Å; N78-Y81 PolarHBondContact O-N 3.3Å; S79-Y81 PolarHBondContact O-N 3.31Å; Y81-V92 CarbonylContact C-O 3.56Å; Y81-V92 CarbonylContact O-C 3.58Å; Y81-V92 WeakPolarHBondContact O-CG2 3.35Å; Y81-V92 VanDerWaalsContact O-O 3.07Å; Y81-G94 PolarHBondContact O-N 3.26Å
82W98.8Very high98.5Very high47 Ų4747.3 Ų47.318%0.17824%0.244CC..THydrogen-bonded Turntrans-115.4-30.3-158.3-58.4116.2000114.3I77 N78 N93 C95 T116 V117 D120I77-W82 HydrophobicContact CG2-CB 3.34Å; I77-W82 HydrophobicContact CG2-CG 3.94Å; N78-W82 PolarHBondContact O-N 2.93Å; N78-W82 VanDerWaalsContact O-N 3.13Å; W82-N93 PolarHBondContact O-OD1 2.03Å; W82-C95 WeakPolarHBondContact O-CB 3.45Å; W82-C95 PolarHBondContact O-N 3.19Å; W82-T116 HydrophobicContact CZ3-CG2 4.44Å; W82-V117 HydrophobicContact CD2-CB 4.47Å; W82-V117 HydrophobicContact CD2-CG2 3.44Å; W82-V117 VanDerWaalsContact CD2-CG2 3.44Å; W82-V117 HydrophobicContact CE3-CG2 3.76Å; W82-V117 HydrophobicContact CG-CG2 3.82Å; W82-V117 HydrophobicContact CH2-CB 4.35Å; W82-V117 HydrophobicContact CH2-CG1 4.32Å; W82-V117 HydrophobicContact CH2-CG2 4.26Å; W82-V117 HydrophobicContact CZ2-CB 4.15Å; W82-V117 HydrophobicContact CZ2-CG1 3.73Å; W82-V117 HydrophobicContact CZ2-CG2 3.98Å; W82-V117 HydrophobicContact CZ3-CG2 4.15Å; W82-D120 HydrophobicContact CH2-CB 4.15Å
83C98.9Very high98.5Very high0 Ų048.5 Ų48.50%025%0.252CS..  trans-139.9157.2-176.867.10000111.6S79 N93 V97 C99 L102S79-C83 WeakPolarHBondContact CA-O 3Å; S79-C83 VanDerWaalsContact O-O 3.04Å; C83-N93 WeakPolarHBondContact CA-OD1 3.25Å; C83-V97 WeakPolarHBondContact CA-O 3.43Å; C83-V97 HydrophobicContact CB-CG1 3.9Å; C83-C99 HydrophobicContact CB-CB 3.96Å; C83-C99 WeakPolarHBondContact CB-SG 3.42Å; C83-C99 PolarHBondContact O-SG 3.38Å; C83-C99 VanDerWaalsContact O-SG 3.33Å; C83-C99 WeakPolarHBondContact SG-CA 3.25Å; C83-C99 WeakPolarHBondContact SG-CB 3.48Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 3.22Å; C83-L102 HydrophobicContact CB-CD1 3.73Å
84N98.8Very high98.5Very high85 Ų8550.1 Ų50.146%0.45527%0.268SS..BIsolated β-bridgetrans-95.7120.8176.6-175.716.8000111.7G86 N93 V97 S98 C99N84-G86 PolarHBondContact OD1-N 3.15Å; N84-N93 HydrophobicContact CB-CB 4.42Å; N84-V97 PolarHBondContact N-O 2.91Å; N84-S98 WeakPolarHBondContact O-CA 3.48Å; N84-C99 PolarHBondContact O-N 3.44Å
85D98.6Very high98.4Very high33 Ų3351.2 Ų51.218%0.17628%0.276CS..  trans-107.8-1.2172.973.4-10.8000113.7Y72 K87 T88 C99Y72-D85 HydrophobicContact CE2-CB 4.11Å; Y72-D85 VanDerWaalsContact OH-CB 3.32Å; Y72-D85 WeakPolarHBondContact OH-CB 3.47Å; Y72-D85 PolarHBondContact OH-OD2 2.95Å; Y72-D85 VanDerWaalsContact OH-OD2 3.14Å; D85-K87 HydrophobicContact CB-CG 4.37Å; D85-K87 VanDerWaalsContact CG-CG 3.45Å; D85-K87 PolarHBondContact O-N 3.35Å; D85-K87 PolarHBondContact OD1-N 3.36Å; D85-K87 WeakPolarHBondContact OD2-CE 3.39Å; D85-K87 WeakPolarHBondContact OD2-CG 3.28Å; D85-K87 IonicContact OD2-NZ 3.77Å; D85-K87 PolarHBondContact OD2-NZ 3.11Å; D85-T88 WeakPolarHBondContact OD1-CB 3.05Å; D85-T88 PolarHBondContact OD1-N 3.13Å; D85-T88 PolarHBondContact OD1-OG1 3.34Å; D85-T88 PolarHBondContact OD2-OG1 2.97Å; D85-C99 HydrophobicContact CB-CB 4.06Å
86G98.4Very high98.4Very high70 Ų7059.2 Ų59.272%0.72231%0.313SS*.SBendtrans73.4-0.8179.200000115.7N84N84-G86 PolarHBondContact OD1-N 3.15Å
87K98.2Very high98.4Very high113 Ų11359.3 Ų59.349%0.49132%0.315SS..  trans-130.2-17.2-175.163176.9177.257.70114.4T70 Y72 D85 P89T70-K87 PolarHBondContact OG1-NZ 3.1Å; Y72-K87 PolarHBondContact OH-NZ 2.93Å; D85-K87 HydrophobicContact CB-CG 4.37Å; D85-K87 VanDerWaalsContact CG-CG 3.45Å; D85-K87 PolarHBondContact O-N 3.35Å; D85-K87 PolarHBondContact OD1-N 3.36Å; D85-K87 WeakPolarHBondContact OD2-CE 3.39Å; D85-K87 WeakPolarHBondContact OD2-CG 3.28Å; D85-K87 IonicContact OD2-NZ 3.77Å; D85-K87 PolarHBondContact OD2-NZ 3.11Å; K87-P89 WeakPolarHBondContact O-CD 3.38Å
88T98.7Very high98.4Very high13 Ų1362.2 Ų62.28%0.0834%0.335CS..SBendtrans-74.7119179.6-56.20000110.8S79 H80 D85 A91S79-T88 WeakPolarHBondContact CB-OG1 3.42Å; S79-T88 PolarHBondContact OG-OG1 3.45Å; H80-T88 HydrophobicContact CB-CG2 4.24Å; D85-T88 WeakPolarHBondContact OD1-CB 3.05Å; D85-T88 PolarHBondContact OD1-N 3.13Å; D85-T88 PolarHBondContact OD1-OG1 3.34Å; D85-T88 PolarHBondContact OD2-OG1 2.97Å; T88-A91 HydrophobicContact CG2-CB 3.95Å
89P98.1Very high98.4Very high57 Ų5761.2 Ų61.237%0.3733%0.33SS..THydrogen-bonded Turntrans-67.7135.3-176.9-19.332.3000112.4K68 K87 A91K68-P89 HydrophobicContact CB-CG 4.29Å; K68-P89 HydrophobicContact CD-CG 4.15Å; K87-P89 WeakPolarHBondContact O-CD 3.38Å; P89-A91 PolarHBondContact O-N 2.93Å; P89-A91 VanDerWaalsContact O-N 3.14Å
90R97.3Very high98.4Very high230 Ų23068.9 Ų68.987%0.86836%0.363SS*.THydrogen-bonded Turntrans56.324.1177.4-55.3178.6-66.8-160-0.6114
91A97.9Very high98.4Very high37 Ų3768.2 Ų68.231%0.30636%0.364SS..  trans-64.7147.9176.900000112.1S79 H80 T88 P89S79-A91 WeakPolarHBondContact O-CB 3.19Å; H80-A91 VanDerWaalsContact O-CA 3.32Å; H80-A91 WeakPolarHBondContact O-CA 3.45Å; T88-A91 HydrophobicContact CG2-CB 3.95Å; P89-A91 PolarHBondContact O-N 2.93Å; P89-A91 VanDerWaalsContact O-N 3.14Å
92V96.9Very high98.4Very high89 Ų8962.8 Ų62.854%0.53934%0.343SS..  trans-104.9155.5163.2-63.30000109.5H80 Y81H80-V92 PolarHBondContact O-N 3.14Å; Y81-V92 CarbonylContact C-O 3.56Å; Y81-V92 CarbonylContact O-C 3.58Å; Y81-V92 WeakPolarHBondContact O-CG2 3.35Å; Y81-V92 VanDerWaalsContact O-O 3.07Å
93N98.3Very high98.3Very high49 Ų4962.2 Ų62.226%0.26234%0.342SS..  trans-11667.2-177.6-174.57.9000109.8W82 C83 N84 C95 H96 V97W82-N93 PolarHBondContact O-OD1 2.03Å; C83-N93 WeakPolarHBondContact CA-OD1 3.25Å; N84-N93 HydrophobicContact CB-CB 4.42Å; N93-C95 PolarHBondContact O-N 2.91Å; N93-C95 VanDerWaalsContact O-N 3.16Å; N93-H96 PolarHBondContact O-N 2.85Å; N93-H96 WeakPolarHBondContact OD1-CA 3.39Å; N93-H96 PolarHBondContact OD1-N 2.71Å; N93-H96 VanDerWaalsContact OD1-N 3.15Å; N93-V97 PolarHBondContact ND2-N 3.26Å; N93-V97 PolarHBondContact ND2-O 3.47Å; N93-V97 PolarHBondContact OD1-N 2.83Å; N93-V97 PolarHBondContact OD1-O 3.28Å
94G98.4Very high98.3Very high33 Ų3365.9 Ų65.934%0.3436%0.362SS..THydrogen-bonded Turntrans-60-24.7-17300000114.9Y81Y81-G94 PolarHBondContact O-N 3.26Å
95C98.6Very high98.2Very high23 Ų2364.8 Ų64.816%0.15536%0.356CS..THydrogen-bonded Turntrans-96.40.6175-59.40000113.7W82 N93 V97 C113W82-C95 WeakPolarHBondContact O-CB 3.45Å; W82-C95 PolarHBondContact O-N 3.19Å; N93-C95 PolarHBondContact O-N 2.91Å; N93-C95 VanDerWaalsContact O-N 3.16Å; C95-V97 VanDerWaalsContact C-N 3.27Å; C95-V97 HydrophobicContact CB-CG1 3.72Å; C95-V97 PolarHBondContact O-N 3.12Å; C95-C113 HydrophobicContact CB-CB 3.66Å; C95-C113 WeakPolarHBondContact CB-SG 3.4Å; C95-C113 WeakPolarHBondContact SG-CA 3.47Å; C95-C113 WeakPolarHBondContact SG-CB 3.25Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.11Å
96H98.4Very high98.1Very high169 Ų16968 Ų6878%0.78237%0.373SS*.  trans51.642.6-177.9-57.6-69.7000113.9N93N93-H96 PolarHBondContact O-N 2.85Å; N93-H96 WeakPolarHBondContact OD1-CA 3.39Å; N93-H96 PolarHBondContact OD1-N 2.71Å; N93-H96 VanDerWaalsContact OD1-N 3.15Å
97V98.6Very high98.2Very high18 Ų1864.8 Ų64.811%0.10934%0.34CS..SBendtrans-136.2151.5-17271.80000111.6C83 N84 N93 C95 A101 L102C83-V97 WeakPolarHBondContact CA-O 3.43Å; C83-V97 HydrophobicContact CB-CG1 3.9Å; N84-V97 PolarHBondContact N-O 2.91Å; N93-V97 PolarHBondContact ND2-N 3.26Å; N93-V97 PolarHBondContact ND2-O 3.47Å; N93-V97 PolarHBondContact OD1-N 2.83Å; N93-V97 PolarHBondContact OD1-O 3.28Å; C95-V97 VanDerWaalsContact C-N 3.27Å; C95-V97 HydrophobicContact CB-CG1 3.72Å; C95-V97 PolarHBondContact O-N 3.12Å; V97-A101 HydrophobicContact CG2-CB 3.8Å; V97-L102 HydrophobicContact CG1-CD2 3.96Å; V97-L102 HydrophobicContact CG1-CG 4.36Å
98S98.7Very high98.2Very high65 Ų6562.1 Ų62.146%0.45533%0.333SS..BIsolated β-bridgetrans-72.9136.7167176.40000110.2N84 K100 A101N84-S98 WeakPolarHBondContact O-CA 3.48Å; S98-K100 PolarHBondContact O-N 3.12Å; S98-K100 VanDerWaalsContact O-N 3.11Å; S98-K100 PolarHBondContact OG-N 3.28Å; S98-A101 WeakPolarHBondContact O-CB 3.49Å; S98-A101 PolarHBondContact O-N 3.25Å
99C98.8Very high98.2Very high1 Ų166.1 Ų66.11%0.00735%0.351CS..G310 helixtrans-57.8-27.9176.5-62.30000112.8Y72 C83 N84 D85 A101 L102Y72-C99 HydrophobicContact CD1-CB 3.82Å; Y72-C99 HydrophobicContact CD2-CB 3.58Å; Y72-C99 HydrophobicContact CE1-CB 3.91Å; Y72-C99 HydrophobicContact CE2-CB 3.67Å; Y72-C99 HydrophobicContact CG-CB 3.67Å; C83-C99 HydrophobicContact CB-CB 3.96Å; C83-C99 WeakPolarHBondContact CB-SG 3.42Å; C83-C99 PolarHBondContact O-SG 3.38Å; C83-C99 VanDerWaalsContact O-SG 3.33Å; C83-C99 WeakPolarHBondContact SG-CA 3.25Å; C83-C99 WeakPolarHBondContact SG-CB 3.48Å; C83-C99 CovalentContact SG-SG 2.04Å; C83-C99 PolarHBondContact SG-SG 3.22Å; N84-C99 PolarHBondContact O-N 3.44Å; D85-C99 HydrophobicContact CB-CB 4.06Å; C99-A101 VanDerWaalsContact C-N 3.27Å; C99-A101 PolarHBondContact O-N 3.29Å; C99-L102 WeakPolarHBondContact O-CB 3.04Å; C99-L102 PolarHBondContact O-N 3.22Å; C99-L102 VanDerWaalsContact O-N 3.15Å
100K98.2Very high98.2Very high162 Ų16263.6 Ų63.670%0.70433%0.334SS*.G310 helixtrans-61-34.5174.5-173.4178.1178.8-178.20112.6S98 L102 M103S98-K100 PolarHBondContact O-N 3.12Å; S98-K100 VanDerWaalsContact O-N 3.11Å; S98-K100 PolarHBondContact OG-N 3.28Å; K100-L102 PolarHBondContact O-N 3.12Å; K100-M103 PolarHBondContact O-N 3.47Å; K100-M103 VanDerWaalsContact O-N 3.11Å
101A98.4Very high98.3Very high23 Ų2352.8 Ų52.819%0.1929%0.294CS..G310 helixtrans-70.4-20.6179.700000112.8V97 S98 C99 M103V97-A101 HydrophobicContact CG2-CB 3.8Å; S98-A101 WeakPolarHBondContact O-CB 3.49Å; S98-A101 PolarHBondContact O-N 3.25Å; C99-A101 VanDerWaalsContact C-N 3.27Å; C99-A101 PolarHBondContact O-N 3.29Å; A101-M103 PolarHBondContact O-N 3.23Å
102L98.7Very high98.3Very high1 Ų153.1 Ų53.11%0.00530%0.297CS..G310 helixtrans-75.7-9.5173.7-51.7-177.8000112.6I77 C83 V97 C99 K100 C113I77-L102 HydrophobicContact CB-CD1 3.86Å; I77-L102 HydrophobicContact CD1-CD1 4.19Å; I77-L102 HydrophobicContact CG2-CD1 3.72Å; C83-L102 HydrophobicContact CB-CD1 3.73Å; V97-L102 HydrophobicContact CG1-CD2 3.96Å; V97-L102 HydrophobicContact CG1-CG 4.36Å; C99-L102 WeakPolarHBondContact O-CB 3.04Å; C99-L102 PolarHBondContact O-N 3.22Å; C99-L102 VanDerWaalsContact O-N 3.15Å; K100-L102 PolarHBondContact O-N 3.12Å; L102-C113 HydrophobicContact CD2-CB 3.97Å
103M98.3Very high98.4Very high35 Ų3549 Ų4917%0.17227%0.272CS..G310 helixtrans-104.811.7-178.1-56.5177.970.300114.1T58 R59 T61 Y72 K100 A101T58-M103 WeakPolarHBondContact O-CA 3.29Å; R59-M103 HydrophobicContact CB-CE 4.02Å; R59-M103 HydrophobicContact CG-CE 4.23Å; R59-M103 WeakPolarHBondContact O-CE 3.37Å; T61-M103 HydrophobicContact CG2-CE 3.5Å; T61-M103 HydrophobicContact CG2-SD 3.98Å; Y72-M103 HydrophobicContact CD1-CG 4.15Å; Y72-M103 HydrophobicContact CD1-SD 3.65Å; Y72-M103 HydrophobicContact CE1-SD 4.21Å; K100-M103 PolarHBondContact O-N 3.47Å; K100-M103 VanDerWaalsContact O-N 3.11Å; A101-M103 PolarHBondContact O-N 3.23Å
104N97.6Very high98.5Very high77 Ų7746.7 Ų46.741%0.41226%0.259SS..SBendtrans-74.6151.7176.4-72.1-21.3000110.9D106N104-D106 VanDerWaalsContact C-N 3.25Å; N104-D106 WeakPolarHBondContact CB-O 3.32Å; N104-D106 PolarHBondContact O-N 3.23Å
105D97.5Very high98.5Very high63 Ų6347.5 Ų47.534%0.33725%0.254SS..SBendtrans-64.9-34.5175.7-60-27.8000111.3K19 Y21 T58 I107K19-D105 HydrophobicContact CB-CB 3.77Å; K19-D105 VanDerWaalsContact CB-OD1 3.32Å; K19-D105 WeakPolarHBondContact CB-OD1 3.48Å; K19-D105 HydrophobicContact CD-CB 4.23Å; K19-D105 PolarHBondContact N-OD1 2.88Å; Y21-D105 PolarHBondContact OH-O 2.9Å; T58-D105 PolarHBondContact OG1-OD1 3.13Å; D105-I107 PolarHBondContact O-N 3.1Å
106D97.1Very high98.5Very high100 Ų10049.3 Ų49.354%0.53526%0.264SS..SBendtrans-75.9111.4161.7-178.5-11.3000109.5N104 T108N104-D106 VanDerWaalsContact C-N 3.25Å; N104-D106 WeakPolarHBondContact CB-O 3.32Å; N104-D106 PolarHBondContact O-N 3.23Å; D106-T108 VanDerWaalsContact C-N 3.29Å; D106-T108 PolarHBondContact O-N 2.94Å; D106-T108 VanDerWaalsContact OD1-CB 3.26Å; D106-T108 WeakPolarHBondContact OD1-CB 3.08Å; D106-T108 PolarHBondContact OD1-N 3.02Å; D106-T108 PolarHBondContact OD1-OG1 3.16Å
107I98.6Very high98.5Very high2 Ų241.4 Ų41.41%0.0123%0.228CC..  trans-87.411.4-174.260.2169.7000113.6Y21 F26 T29 T58 I74 D105 Q109 A110 I111Y21-I107 HydrophobicContact CE2-CG2 3.82Å; F26-I107 HydrophobicContact CD2-CD1 3.96Å; F26-I107 HydrophobicContact CE2-CD1 3.52Å; T29-I107 HydrophobicContact CG2-CD1 3.86Å; T29-I107 HydrophobicContact CG2-CG1 4.14Å; T58-I107 HydrophobicContact CG2-CG2 3.62Å; I74-I107 HydrophobicContact CG2-CG2 4.1Å; D105-I107 PolarHBondContact O-N 3.1Å; I107-Q109 VanDerWaalsContact C-N 3.29Å; I107-Q109 PolarHBondContact O-N 3.12Å; I107-A110 HydrophobicContact CB-CB 4.33Å; I107-A110 WeakPolarHBondContact O-CB 3.13Å; I107-A110 PolarHBondContact O-N 3.16Å; I107-I111 HydrophobicContact CD1-CD1 3.78Å; I107-I111 HydrophobicContact CD1-CG1 4.19Å; I107-I111 HydrophobicContact CG1-CD1 3.8Å; I107-I111 HydrophobicContact CG1-CG1 4.25Å; I107-I111 WeakPolarHBondContact O-CG1 3.1Å; I107-I111 PolarHBondContact O-N 3.33Å
108T98.7Very high98.5Very high58 Ų5840.9 Ų40.936%0.35622%0.224SC..Hα-helixtrans-53.9-44.8-177.9-64.50000112.3H33 D106 I111 A112H33-T108 PolarHBondContact CE1-OG1 3.42Å; D106-T108 VanDerWaalsContact C-N 3.29Å; D106-T108 PolarHBondContact O-N 2.94Å; D106-T108 VanDerWaalsContact OD1-CB 3.26Å; D106-T108 WeakPolarHBondContact OD1-CB 3.08Å; D106-T108 PolarHBondContact OD1-N 3.02Å; D106-T108 PolarHBondContact OD1-OG1 3.16Å; T108-I111 PolarHBondContact O-N 2.92Å; T108-A112 PolarHBondContact O-N 3.27Å
109Q98.7Very high98.5Very high97 Ų9740.7 Ų40.745%0.45322%0.223SC..Hα-helixtrans-69.5-37.5177.7-66-70.334.800112.6I107 I111 A112 C113I107-Q109 VanDerWaalsContact C-N 3.29Å; I107-Q109 PolarHBondContact O-N 3.12Å; Q109-I111 VanDerWaalsContact C-N 3.34Å; Q109-A112 PolarHBondContact O-N 3.43Å; Q109-C113 WeakPolarHBondContact O-CB 3.16Å; Q109-C113 PolarHBondContact O-N 3.29Å
110A98.8Very high98.3Very high3 Ų344.5 Ų44.53%0.02524%0.243CC..Hα-helixtrans-63.4-40.8174.900000111.6I74 F75 I107 C113 A114I74-A110 HydrophobicContact CG2-CB 4.3Å; F75-A110 HydrophobicContact CD2-CB 3.96Å; F75-A110 HydrophobicContact CE2-CB 4.13Å; I107-A110 HydrophobicContact CB-CB 4.33Å; I107-A110 WeakPolarHBondContact O-CB 3.13Å; I107-A110 PolarHBondContact O-N 3.16Å; A110-C113 PolarHBondContact O-N 3.35Å; A110-A114 WeakPolarHBondContact O-CB 3.37Å; A110-A114 PolarHBondContact O-N 2.95Å
111I98.9Very high98.2Very high4 Ų448.5 Ų48.52%0.02125%0.254CS..Hα-helixtrans-64.3-47175-71.4172.3000111L30 H33 M35 F75 I107 T108 Q109 C113 A114 K115L30-I111 HydrophobicContact CD2-CD1 4Å; L30-I111 HydrophobicContact CD2-CG1 4.1Å; H33-I111 HydrophobicContact CB-CD1 3.77Å; H33-I111 HydrophobicContact CB-CG2 4.07Å; M35-I111 HydrophobicContact CG-CG2 3.96Å; M35-I111 HydrophobicContact SD-CG2 3.73Å; F75-I111 HydrophobicContact CE2-CG1 4.03Å; F75-I111 HydrophobicContact CZ-CG1 4.27Å; I107-I111 HydrophobicContact CD1-CD1 3.78Å; I107-I111 HydrophobicContact CD1-CG1 4.19Å; I107-I111 HydrophobicContact CG1-CD1 3.8Å; I107-I111 HydrophobicContact CG1-CG1 4.25Å; I107-I111 WeakPolarHBondContact O-CG1 3.1Å; I107-I111 PolarHBondContact O-N 3.33Å; T108-I111 PolarHBondContact O-N 2.92Å; Q109-I111 VanDerWaalsContact C-N 3.34Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 2.87Å; I111-A114 PolarHBondContact O-N 3.13Å; I111-K115 HydrophobicContact CG2-CD 4.49Å; I111-K115 WeakPolarHBondContact O-CG 3.35Å; I111-K115 PolarHBondContact O-N 3.38Å
112A98.9Very high98.1Very high44 Ų4452.9 Ų52.936%0.36427%0.27SS..Hα-helixtrans-59.6-42.7178.800000111.8T108 Q109 K115 T116T108-A112 PolarHBondContact O-N 3.27Å; Q109-A112 PolarHBondContact O-N 3.43Å; A112-K115 PolarHBondContact O-N 3.37Å; A112-T116 PolarHBondContact O-N 3.43Å; A112-T116 PolarHBondContact O-OG1 2.82Å; A112-T116 VanDerWaalsContact O-OG1 3.1Å
113C98.9Very high98Very high2 Ų253.7 Ų53.71%0.01428%0.279CS..Hα-helixtrans-69.2-42.4176.6-173.20000112I77 C95 L102 Q109 A110 I111 K115 T116 V117I77-C113 HydrophobicContact CD1-CB 3.95Å; C95-C113 HydrophobicContact CB-CB 3.66Å; C95-C113 WeakPolarHBondContact CB-SG 3.4Å; C95-C113 WeakPolarHBondContact SG-CA 3.47Å; C95-C113 WeakPolarHBondContact SG-CB 3.25Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.11Å; L102-C113 HydrophobicContact CD2-CB 3.97Å; Q109-C113 WeakPolarHBondContact O-CB 3.16Å; Q109-C113 PolarHBondContact O-N 3.29Å; A110-C113 PolarHBondContact O-N 3.35Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 2.87Å; C113-K115 VanDerWaalsContact C-N 3.28Å; C113-K115 PolarHBondContact O-N 3.3Å; C113-T116 WeakPolarHBondContact O-CA 3.22Å; C113-T116 VanDerWaalsContact O-CB 3.24Å; C113-T116 WeakPolarHBondContact O-CB 3.47Å; C113-T116 PolarHBondContact O-N 3.24Å; C113-V117 WeakPolarHBondContact O-CG2 3.22Å; C113-V117 PolarHBondContact O-N 2.9Å
114A98.9Very high98.1Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-58.6-38.1174.700000112.7W46 F75 A110 I111 T116 V117 V118 W127W46-A114 HydrophobicContact CH2-CB 4.35Å; W46-A114 HydrophobicContact CZ3-CB 4.12Å; F75-A114 HydrophobicContact CD2-CB 3.85Å; F75-A114 HydrophobicContact CE2-CB 4.05Å; F75-A114 HydrophobicContact CG-CB 4.3Å; A110-A114 WeakPolarHBondContact O-CB 3.37Å; A110-A114 PolarHBondContact O-N 2.95Å; I111-A114 PolarHBondContact O-N 3.13Å; A114-T116 VanDerWaalsContact C-N 3.3Å; A114-T116 PolarHBondContact O-N 2.04Å; A114-V117 PolarHBondContact O-N 3.3Å; A114-V118 WeakPolarHBondContact O-CG2 3.35Å; A114-V118 PolarHBondContact O-N 2.96Å; A114-W127 HydrophobicContact CB-CH2 4.41Å; A114-W127 HydrophobicContact CB-CZ2 4.35Å
115K98.9Very high98.1Very high51 Ų5154.7 Ų54.722%0.22228%0.276CS..Hα-helixtrans-61.8-36.8172.1-75.6-175.1177.2-178.50112.7H33 M35 F38 I111 A112 C113 V118 S119H33-K115 PolarHBondContact O-NZ 3.31Å; M35-K115 HydrophobicContact SD-CD 4.33Å; M35-K115 VanDerWaalsContact SD-CE 3.58Å; M35-K115 HydrophobicContact SD-CG 3.8Å; F38-K115 HydrophobicContact CD1-CB 4.33Å; F38-K115 HydrophobicContact CD1-CD 4.48Å; F38-K115 HydrophobicContact CD1-CG 3.86Å; F38-K115 HydrophobicContact CD2-CD 4.15Å; F38-K115 HydrophobicContact CD2-CG 4.41Å; F38-K115 HydrophobicContact CE1-CB 3.61Å; F38-K115 HydrophobicContact CE1-CD 4.23Å; F38-K115 HydrophobicContact CE1-CG 3.62Å; F38-K115 HydrophobicContact CE2-CD 3.88Å; F38-K115 HydrophobicContact CE2-CG 4.2Å; F38-K115 HydrophobicContact CG-CD 4.44Å; F38-K115 HydrophobicContact CG-CG 4.25Å; F38-K115 HydrophobicContact CZ-CB 3.74Å; F38-K115 HydrophobicContact CZ-CD 3.93Å; F38-K115 HydrophobicContact CZ-CG 3.81Å; I111-K115 HydrophobicContact CG2-CD 4.49Å; I111-K115 WeakPolarHBondContact O-CG 3.35Å; I111-K115 PolarHBondContact O-N 3.38Å; A112-K115 PolarHBondContact O-N 3.37Å; C113-K115 VanDerWaalsContact C-N 3.28Å; C113-K115 PolarHBondContact O-N 3.3Å; K115-V118 WeakPolarHBondContact O-CG2 3.32Å; K115-S119 WeakPolarHBondContact O-CB 3.36Å; K115-S119 PolarHBondContact O-N 3.47Å; K115-S119 PolarHBondContact O-OG 2.89Å
116T98.8Very high98.1Very high61 Ų6153 Ų5337%0.37427%0.272SS..Hα-helixtrans-65.2-48.1174.8-56.20000110.1W82 A112 C113 A114 V118 S119 D120W82-T116 HydrophobicContact CZ3-CG2 4.44Å; A112-T116 PolarHBondContact O-N 3.43Å; A112-T116 PolarHBondContact O-OG1 2.82Å; A112-T116 VanDerWaalsContact O-OG1 3.1Å; C113-T116 WeakPolarHBondContact O-CA 3.22Å; C113-T116 VanDerWaalsContact O-CB 3.24Å; C113-T116 WeakPolarHBondContact O-CB 3.47Å; C113-T116 PolarHBondContact O-N 3.24Å; A114-T116 VanDerWaalsContact C-N 3.3Å; A114-T116 PolarHBondContact O-N 2.04Å; T116-V118 PolarHBondContact O-N 2.9Å; T116-S119 WeakPolarHBondContact O-CB 3.21Å; T116-S119 PolarHBondContact O-N 3.39Å; T116-S119 VanDerWaalsContact O-N 3.08Å; T116-D120 PolarHBondContact O-N 3.33Å
117V98.6Very high98.2Very high3 Ų348.9 Ų48.92%0.01825%0.248CC..Hα-helixtrans-58.5-49.1178.7-179.80000112W82 C113 A114 S119 D120 A126 W127W82-V117 HydrophobicContact CD2-CB 4.47Å; W82-V117 HydrophobicContact CD2-CG2 3.44Å; W82-V117 VanDerWaalsContact CD2-CG2 3.44Å; W82-V117 HydrophobicContact CE3-CG2 3.76Å; W82-V117 HydrophobicContact CG-CG2 3.82Å; W82-V117 HydrophobicContact CH2-CB 4.35Å; W82-V117 HydrophobicContact CH2-CG1 4.32Å; W82-V117 HydrophobicContact CH2-CG2 4.26Å; W82-V117 HydrophobicContact CZ2-CB 4.15Å; W82-V117 HydrophobicContact CZ2-CG1 3.73Å; W82-V117 HydrophobicContact CZ2-CG2 3.98Å; W82-V117 HydrophobicContact CZ3-CG2 4.15Å; C113-V117 WeakPolarHBondContact O-CG2 3.22Å; C113-V117 PolarHBondContact O-N 2.9Å; A114-V117 PolarHBondContact O-N 3.3Å; V117-S119 PolarHBondContact O-N 3.3Å; V117-D120 WeakPolarHBondContact O-CB 3.36Å; V117-D120 PolarHBondContact O-N 3.3Å; V117-D120 VanDerWaalsContact O-N 3.09Å; V117-A126 HydrophobicContact CG1-CB 3.84Å; V117-W127 HydrophobicContact CB-CH2 3.45Å; V117-W127 VanDerWaalsContact CB-CH2 3.45Å; V117-W127 HydrophobicContact CB-CZ2 4.07Å; V117-W127 HydrophobicContact CB-CZ3 4.02Å; V117-W127 HydrophobicContact CG1-CE3 4.22Å; V117-W127 HydrophobicContact CG1-CH2 3.31Å; V117-W127 HydrophobicContact CG1-CZ2 3.9Å; V117-W127 HydrophobicContact CG1-CZ3 3.44Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.44Å; V117-W127 HydrophobicContact CG2-CH2 4.24Å; V117-W127 HydrophobicContact CG2-CZ2 4.4Å
118V98.4Very high98.1Very high6 Ų652.3 Ų52.34%0.03627%0.269CS..Hα-helixtrans-71.3-11178.9-64.10000114.2F38 K39 W46 A114 K115 T116 D120 G123 I124 W127F38-V118 HydrophobicContact CD1-CG2 3.68Å; F38-V118 HydrophobicContact CE1-CG2 3.6Å; K39-V118 HydrophobicContact CG-CG2 4.48Å; W46-V118 HydrophobicContact CH2-CB 4.19Å; W46-V118 HydrophobicContact CH2-CG1 3.28Å; W46-V118 HydrophobicContact CH2-CG2 3.86Å; W46-V118 HydrophobicContact CZ2-CG1 3.9Å; W46-V118 HydrophobicContact CZ2-CG2 4Å; W46-V118 HydrophobicContact CZ3-CG1 4.09Å; A114-V118 WeakPolarHBondContact O-CG2 3.35Å; A114-V118 PolarHBondContact O-N 2.96Å; K115-V118 WeakPolarHBondContact O-CG2 3.32Å; T116-V118 PolarHBondContact O-N 2.9Å; V118-D120 VanDerWaalsContact C-N 3.29Å; V118-G123 WeakPolarHBondContact O-CA 3.25Å; V118-I124 HydrophobicContact CG1-CB 4.15Å; V118-W127 HydrophobicContact CG1-CH2 3.87Å; V118-W127 HydrophobicContact CG1-CZ3 3.46Å; V118-W127 VanDerWaalsContact CG1-CZ3 3.46Å
119S98.2Very high98.1Very high61 Ų6150.2 Ų50.243%0.42726%0.257SS..Hα-helixtrans-82.6-11.8173.1-62.10000112.3K39 K115 T116 V117K39-S119 WeakPolarHBondContact CE-OG 3.16Å; K115-S119 WeakPolarHBondContact O-CB 3.36Å; K115-S119 PolarHBondContact O-N 3.47Å; K115-S119 PolarHBondContact O-OG 2.89Å; T116-S119 WeakPolarHBondContact O-CB 3.21Å; T116-S119 PolarHBondContact O-N 3.39Å; T116-S119 VanDerWaalsContact O-N 3.08Å; V117-S119 PolarHBondContact O-N 3.3Å
120D96.4Very high98.1Very high82 Ų8246.6 Ų46.644%0.43924%0.24SC..SBendtrans-78.6168.2171.5-168.425.3000111.9W82 T116 V117 V118 Q122 G123W82-D120 HydrophobicContact CH2-CB 4.15Å; T116-D120 PolarHBondContact O-N 3.33Å; V117-D120 WeakPolarHBondContact O-CB 3.36Å; V117-D120 PolarHBondContact O-N 3.3Å; V117-D120 VanDerWaalsContact O-N 3.09Å; V118-D120 VanDerWaalsContact C-N 3.29Å; D120-Q122 PolarHBondContact O-N 3.39Å; D120-G123 PolarHBondContact O-N 3.18Å
121R95.1Very high98.1Very high245 Ų24550.8 Ų50.893%0.92526%0.255SS*.THydrogen-bonded Turntrans-53.8-30.8-169.4-63.4-173.9-179.8-167.80.3114.7
122Q96.1Very high98.1Very high115 Ų11555 Ų5554%0.53728%0.278SS..THydrogen-bonded Turntrans-81-17.8-178.7-65.6-172.1-24.200113.4D120 R125 A126D120-Q122 PolarHBondContact O-N 3.39Å; Q122-R125 VanDerWaalsContact O-CB 3.25Å; Q122-R125 WeakPolarHBondContact O-CB 3Å; Q122-R125 WeakPolarHBondContact O-CG 3.45Å; Q122-R125 PolarHBondContact O-N 3.46Å; Q122-R125 VanDerWaalsContact O-N 3.16Å; Q122-A126 HydrophobicContact CB-CB 4.22Å
123G97.8Very high98.1Very high18 Ų1855.8 Ų55.819%0.18627%0.273CS..G310 helixtrans56.1-142.5-171.800000112V118 D120 R125 A126V118-G123 WeakPolarHBondContact O-CA 3.25Å; D120-G123 PolarHBondContact O-N 3.18Å; G123-R125 PolarHBondContact O-N 3.01Å; G123-R125 VanDerWaalsContact O-N 3.12Å; G123-A126 WeakPolarHBondContact O-CB 3.15Å; G123-A126 PolarHBondContact O-N 2.93Å
124I98.4Very high98Very high16 Ų1655.7 Ų55.78%0.08227%0.273CS..G310 helixtrans-65.7-13.1176.9-166.9160000113.8V41 N45 W46 V118 A126 W127 W130V41-I124 HydrophobicContact CG1-CB 4.48Å; V41-I124 HydrophobicContact CG1-CD1 3.42Å; V41-I124 VanDerWaalsContact CG1-CD1 3.42Å; V41-I124 HydrophobicContact CG2-CB 4.01Å; V41-I124 HydrophobicContact CG2-CD1 4.48Å; V41-I124 HydrophobicContact CG2-CG2 4.14Å; N45-I124 HydrophobicContact CB-CD1 4Å; W46-I124 HydrophobicContact CE3-CD1 4.43Å; V118-I124 HydrophobicContact CG1-CB 4.15Å; I124-A126 PolarHBondContact O-N 2.95Å; I124-A126 VanDerWaalsContact O-N 3.16Å; I124-W127 HydrophobicContact CG1-CE3 4.31Å; I124-W127 PolarHBondContact O-N 3.38Å; I124-W130 HydrophobicContact CB-CD2 4.47Å; I124-W130 HydrophobicContact CD1-CD2 4.29Å; I124-W130 HydrophobicContact CD1-CG 4Å; I124-W130 HydrophobicContact CG1-CB 4.4Å; I124-W130 HydrophobicContact CG1-CD2 3.85Å; I124-W130 HydrophobicContact CG1-CG 3.76Å; I124-W130 HydrophobicContact CG2-CD2 3.96Å; I124-W130 HydrophobicContact CG2-CE3 4.12Å; I124-W130 HydrophobicContact CG2-CH2 3.75Å; I124-W130 HydrophobicContact CG2-CZ2 3.55Å; I124-W130 HydrophobicContact CG2-CZ3 4.05Å
125R98.3Very high98Very high117 Ų11757.7 Ų57.744%0.44228%0.282SS..G310 helixtrans-70.8-7.6177.4-48.3177.267.480.63.8113Q122 G123 W127 W130 R131Q122-R125 VanDerWaalsContact O-CB 3.25Å; Q122-R125 WeakPolarHBondContact O-CB 3Å; Q122-R125 WeakPolarHBondContact O-CG 3.45Å; Q122-R125 PolarHBondContact O-N 3.46Å; Q122-R125 VanDerWaalsContact O-N 3.16Å; G123-R125 PolarHBondContact O-N 3.01Å; G123-R125 VanDerWaalsContact O-N 3.12Å; R125-W127 PolarHBondContact O-N 3.46Å; R125-W130 HydrophobicContact CB-CZ3 4.42Å; R125-W130 HydrophobicContact CG-CH2 4.44Å; R125-W130 HydrophobicContact CG-CZ3 3.8Å; R125-R131 HydrophobicContact CB-CG 4.4Å; R125-R131 WeakPolarHBondContact O-CD 3.29Å; R125-R131 PolarHBondContact O-NH1 2.82Å
126A98Very high98Very high29 Ų2962.6 Ų62.624%0.2431%0.311CS..G310 helixtrans-59.3-31171.400000112.1V117 Q122 G123 I124V117-A126 HydrophobicContact CG1-CB 3.84Å; Q122-A126 HydrophobicContact CB-CB 4.22Å; G123-A126 WeakPolarHBondContact O-CB 3.15Å; G123-A126 PolarHBondContact O-N 2.93Å; I124-A126 PolarHBondContact O-N 2.95Å; I124-A126 VanDerWaalsContact O-N 3.16Å
127W98.6Very high98Very high13 Ų1366.6 Ų66.65%0.04932%0.319CS..  trans-87.2120.3178.4-72.4-93.2000112.1W46 L49 F75 A114 V117 V118 I124 R125 A129 W130 R131W46-W127 HydrophobicContact CZ3-CH2 4.3Å; L49-W127 HydrophobicContact CD1-CB 3.36Å; L49-W127 HydrophobicContact CD1-CD2 4.12Å; L49-W127 HydrophobicContact CD1-CG 3.38Å; L49-W127 HydrophobicContact CD2-CD2 3.92Å; L49-W127 HydrophobicContact CD2-CE3 4.43Å; L49-W127 HydrophobicContact CD2-CG 4.06Å; L49-W127 HydrophobicContact CD2-CZ2 4.39Å; L49-W127 HydrophobicContact CG-CG 4.34Å; F75-W127 PolarHBondContact O-NE1 2.91Å; A114-W127 HydrophobicContact CB-CH2 4.41Å; A114-W127 HydrophobicContact CB-CZ2 4.35Å; V117-W127 HydrophobicContact CB-CH2 3.45Å; V117-W127 VanDerWaalsContact CB-CH2 3.45Å; V117-W127 HydrophobicContact CB-CZ2 4.07Å; V117-W127 HydrophobicContact CB-CZ3 4.02Å; V117-W127 HydrophobicContact CG1-CE3 4.22Å; V117-W127 HydrophobicContact CG1-CH2 3.31Å; V117-W127 HydrophobicContact CG1-CZ2 3.9Å; V117-W127 HydrophobicContact CG1-CZ3 3.44Å; V117-W127 VanDerWaalsContact CG1-CZ3 3.44Å; V117-W127 HydrophobicContact CG2-CH2 4.24Å; V117-W127 HydrophobicContact CG2-CZ2 4.4Å; V118-W127 HydrophobicContact CG1-CH2 3.87Å; V118-W127 HydrophobicContact CG1-CZ3 3.46Å; V118-W127 VanDerWaalsContact CG1-CZ3 3.46Å; I124-W127 HydrophobicContact CG1-CE3 4.31Å; I124-W127 PolarHBondContact O-N 3.38Å; R125-W127 PolarHBondContact O-N 3.46Å; W127-A129 VanDerWaalsContact C-N 3.35Å; W127-A129 PolarHBondContact O-N 3.14Å; W127-W130 HydrophobicContact CB-CB 4.01Å; W127-W130 PolarHBondContact O-N 3.42Å; W127-R131 PolarHBondContact O-N 2.83Å
128V97.8Very high98Very high74 Ų7471.9 Ų71.945%0.44835%0.348SS..Hα-helixtrans-63.8-41.6178.9-173.70000110.9W130 R131 N132V128-W130 VanDerWaalsContact C-N 3.3Å; V128-W130 PolarHBondContact O-N 3.21Å; V128-R131 PolarHBondContact O-N 3.14Å; V128-N132 VanDerWaalsContact O-CG 3.32Å; V128-N132 PolarHBondContact O-N 2.84Å
129A97.6Very high98Very high13 Ų1372.4 Ų72.411%0.10735%0.35CS..Hα-helixtrans-63.4-38.8-179.700000111.5W52 E53 W127 N132 H133W52-A129 HydrophobicContact CB-CB 3.94Å; E53-A129 VanDerWaalsContact CD-CB 3.41Å; E53-A129 HydrophobicContact CG-CB 3.92Å; E53-A129 WeakPolarHBondContact OE1-CB 3.33Å; E53-A129 PolarHBondContact OE1-N 3.25Å; W127-A129 VanDerWaalsContact C-N 3.35Å; W127-A129 PolarHBondContact O-N 3.14Å; A129-N132 PolarHBondContact O-N 3.49Å; A129-H133 WeakPolarHBondContact O-CB 3.26Å; A129-H133 PolarHBondContact O-CD2 3.22Å; A129-H133 VanDerWaalsContact O-CD2 3.3Å; A129-H133 PolarHBondContact O-N 3.36Å
130W98.8Very high98Very high21 Ų2173.3 Ų73.38%0.0835%0.353CS..Hα-helixtrans-62.4-45.1175.1179.689.8000112.2N45 L49 I124 R125 W127 V128 N132 C134 Q135N45-W130 WeakPolarHBondContact OD1-CZ2 3.33Å; N45-W130 PolarHBondContact OD1-NE1 3.44Å; L49-W130 HydrophobicContact CD1-CB 3.78Å; I124-W130 HydrophobicContact CB-CD2 4.47Å; I124-W130 HydrophobicContact CD1-CD2 4.29Å; I124-W130 HydrophobicContact CD1-CG 4Å; I124-W130 HydrophobicContact CG1-CB 4.4Å; I124-W130 HydrophobicContact CG1-CD2 3.85Å; I124-W130 HydrophobicContact CG1-CG 3.76Å; I124-W130 HydrophobicContact CG2-CD2 3.96Å; I124-W130 HydrophobicContact CG2-CE3 4.12Å; I124-W130 HydrophobicContact CG2-CH2 3.75Å; I124-W130 HydrophobicContact CG2-CZ2 3.55Å; I124-W130 HydrophobicContact CG2-CZ3 4.05Å; R125-W130 HydrophobicContact CB-CZ3 4.42Å; R125-W130 HydrophobicContact CG-CH2 4.44Å; R125-W130 HydrophobicContact CG-CZ3 3.8Å; W127-W130 HydrophobicContact CB-CB 4.01Å; W127-W130 PolarHBondContact O-N 3.42Å; V128-W130 VanDerWaalsContact C-N 3.3Å; V128-W130 PolarHBondContact O-N 3.21Å; W130-N132 VanDerWaalsContact C-N 3.28Å; W130-N132 PolarHBondContact O-N 2.84Å; W130-C134 HydrophobicContact CB-CB 4.46Å; W130-C134 HydrophobicContact CD2-CB 4.44Å; W130-C134 HydrophobicContact CG-CB 3.88Å; W130-C134 CarbonylContact O-C 3.1Å; W130-C134 WeakPolarHBondContact O-CA 3.39Å; W130-C134 VanDerWaalsContact O-CB 3.29Å; W130-C134 WeakPolarHBondContact O-CB 3.27Å; W130-C134 PolarHBondContact O-N 3.03Å; W130-Q135 HydrophobicContact CE3-CB 4.1Å; W130-Q135 HydrophobicContact CH2-CB 3.81Å; W130-Q135 HydrophobicContact CH2-CG 3.6Å; W130-Q135 HydrophobicContact CZ2-CB 4.27Å; W130-Q135 HydrophobicContact CZ2-CG 4.38Å; W130-Q135 HydrophobicContact CZ3-CB 3.68Å; W130-Q135 HydrophobicContact CZ3-CG 3.69Å; W130-Q135 PolarHBondContact O-N 2.76Å
131R98.6Very high98.1Very high92 Ų9275.1 Ų75.135%0.34736%0.359SS..Hα-helixtrans-59.5-41.3177.3-65.6-173-52.9-132.311.4112R125 W127 V128 Q135R125-R131 HydrophobicContact CB-CG 4.4Å; R125-R131 WeakPolarHBondContact O-CD 3.29Å; R125-R131 PolarHBondContact O-NH1 2.82Å; W127-R131 PolarHBondContact O-N 2.83Å; V128-R131 PolarHBondContact O-N 3.14Å; R131-Q135 WeakPolarHBondContact O-CB 3.45Å
132N98.6Very high98.3Very high93 Ų9364.4 Ų64.450%0.49732%0.319SS..Hα-helixtrans-79.5-36-173.9-66.4-5.9000112.6V128 A129 W130 R137V128-N132 VanDerWaalsContact O-CG 3.32Å; V128-N132 PolarHBondContact O-N 2.84Å; A129-N132 PolarHBondContact O-N 3.49Å; W130-N132 VanDerWaalsContact C-N 3.28Å; W130-N132 PolarHBondContact O-N 2.84Å; N132-R137 PolarHBondContact O-NH2 2.89Å
133H98.6Very high98.4Very high59 Ų5960.5 Ų60.527%0.27330%0.303SS..Hα-helixtrans-116.8-14.8-167.4-60-82.4000115.2W52 A129 R137W52-H133 HydrophobicContact CB-CB 4.24Å; W52-H133 HydrophobicContact CD2-CB 3.59Å; W52-H133 AromaticContact CD2-CG 3.52Å; W52-H133 AromaticContact CD2-ND1 3.71Å; W52-H133 AromaticContact CE2-CG 3.85Å; W52-H133 AromaticContact CE2-ND1 3.88Å; W52-H133 HydrophobicContact CE3-CB 4.35Å; W52-H133 AromaticContact CE3-CE1 3.8Å; W52-H133 AromaticContact CE3-CG 3.77Å; W52-H133 AromaticContact CE3-ND1 3.58Å; W52-H133 HydrophobicContact CG-CB 3.5Å; W52-H133 VanDerWaalsContact CG-CB 3.5Å; W52-H133 AromaticContact CG-CG 3.77Å; W52-H133 AromaticContact CH2-ND1 3.84Å; W52-H133 HydrophobicContact CZ2-CB 4.32Å; W52-H133 AromaticContact CZ2-ND1 3.95Å; W52-H133 AromaticContact CZ3-CE1 3.84Å; W52-H133 AromaticContact CZ3-ND1 3.65Å; A129-H133 WeakPolarHBondContact O-CB 3.26Å; A129-H133 PolarHBondContact O-CD2 3.22Å; A129-H133 VanDerWaalsContact O-CD2 3.3Å; A129-H133 PolarHBondContact O-N 3.36Å; H133-R137 WeakPolarHBondContact O-CD 3.43Å; H133-R137 PolarHBondContact O-NE 3.34Å
134C98.8Very high98.4Very high1 Ų165.9 Ų65.91%0.00732%0.323CS..THydrogen-bonded Turntrans-120.8-39-174.6-52.70000112.9C48 W130 N136 R137 L139C48-C134 HydrophobicContact CB-CB 3.9Å; C48-C134 WeakPolarHBondContact CB-SG 3.38Å; C48-C134 VanDerWaalsContact SG-CA 3.52Å; C48-C134 WeakPolarHBondContact SG-CB 3.48Å; C48-C134 CovalentContact SG-SG 2.03Å; C48-C134 PolarHBondContact SG-SG 2.99Å; W130-C134 HydrophobicContact CB-CB 4.46Å; W130-C134 HydrophobicContact CD2-CB 4.44Å; W130-C134 HydrophobicContact CG-CB 3.88Å; W130-C134 CarbonylContact O-C 3.1Å; W130-C134 WeakPolarHBondContact O-CA 3.39Å; W130-C134 VanDerWaalsContact O-CB 3.29Å; W130-C134 WeakPolarHBondContact O-CB 3.27Å; W130-C134 PolarHBondContact O-N 3.03Å; C134-N136 PolarHBondContact O-N 2.93Å; C134-R137 PolarHBondContact O-N 2.68Å; C134-L139 HydrophobicContact CB-CD1 4.23Å; C134-L139 HydrophobicContact CB-CD2 4.23Å
135Q98.6Very high98.4Very high41 Ų4168.9 Ų68.919%0.19236%0.358CS..THydrogen-bonded Turntrans-59.1133.8-176.7-169.1-169.6-22.600111.3W130 R131 R137W130-Q135 HydrophobicContact CE3-CB 4.1Å; W130-Q135 HydrophobicContact CH2-CB 3.81Å; W130-Q135 HydrophobicContact CH2-CG 3.6Å; W130-Q135 HydrophobicContact CZ2-CB 4.27Å; W130-Q135 HydrophobicContact CZ2-CG 4.38Å; W130-Q135 HydrophobicContact CZ3-CB 3.68Å; W130-Q135 HydrophobicContact CZ3-CG 3.69Å; W130-Q135 PolarHBondContact O-N 2.76Å; R131-Q135 WeakPolarHBondContact O-CB 3.45Å; Q135-R137 PolarHBondContact O-N 3.2Å
136N98.2Very high98.4Very high155 Ų15563.8 Ų63.883%0.82934%0.34SS*.THydrogen-bonded Turntrans59.229.1177.7-54.7-22.9000114.2C134C134-N136 PolarHBondContact O-N 2.93Å
137R98.3Very high98.4Very high144 Ų14466.5 Ų66.554%0.54337%0.371SS..SBendtrans-117.7160.1175.4-54.1-163.3-171.3-158.4-1.6111.3N132 H133 C134 Q135 L139N132-R137 PolarHBondContact O-NH2 2.89Å; H133-R137 WeakPolarHBondContact O-CD 3.43Å; H133-R137 PolarHBondContact O-NE 3.34Å; C134-R137 PolarHBondContact O-N 2.68Å; Q135-R137 PolarHBondContact O-N 3.2Å; R137-L139 HydrophobicContact CB-CD2 4.08Å; R137-L139 PolarHBondContact O-N 2.75Å
138D98.5Very high98.3Very high115 Ų11568.7 Ų68.762%0.61539%0.386SS*.  trans-72.1114.4165.3-1784.2000109.6T140D138-T140 WeakPolarHBondContact OD1-CB 3.28Å; D138-T140 PolarHBondContact OD1-N 3.32Å; D138-T140 PolarHBondContact OD1-OG1 3.06Å
139L98.7Very high98.3Very high17 Ų1768.5 Ų68.59%0.08938%0.383CS..  trans-100.56.2-178.2-55.7-172.5000113.1A44 N45 C48 C134 R137 Q141 Y142A44-L139 HydrophobicContact CB-CB 3.76Å; N45-L139 HydrophobicContact CB-CD1 4.3Å; N45-L139 VanDerWaalsContact OD1-CD1 3.31Å; N45-L139 WeakPolarHBondContact OD1-CD1 3.47Å; C48-L139 HydrophobicContact CB-CD1 4.24Å; C48-L139 HydrophobicContact CB-CD2 4.16Å; C134-L139 HydrophobicContact CB-CD1 4.23Å; C134-L139 HydrophobicContact CB-CD2 4.23Å; R137-L139 HydrophobicContact CB-CD2 4.08Å; R137-L139 PolarHBondContact O-N 2.75Å; L139-Q141 PolarHBondContact O-N 2.9Å; L139-Q141 VanDerWaalsContact O-N 3.12Å; L139-Y142 HydrophobicContact CB-CD2 3.95Å; L139-Y142 HydrophobicContact CD2-CD2 3.99Å; L139-Y142 HydrophobicContact CD2-CE2 3.76Å; L139-Y142 WeakPolarHBondContact O-CB 3.45Å; L139-Y142 WeakPolarHBondContact O-CD2 3.36Å; L139-Y142 PolarHBondContact O-N 3Å
140T98.2Very high98.4Very high80 Ų8071.4 Ų71.449%0.49140%0.397SS..Hα-helixtrans-53.6-38.2-176.4-57.70000112.3D138 Y142 T143 Q144D138-T140 WeakPolarHBondContact OD1-CB 3.28Å; D138-T140 PolarHBondContact OD1-N 3.32Å; D138-T140 PolarHBondContact OD1-OG1 3.06Å; T140-Y142 PolarHBondContact O-N 2.82Å; T140-T143 PolarHBondContact O-N 2.84Å; T140-T143 VanDerWaalsContact O-N 3.15Å; T140-Q144 WeakPolarHBondContact O-CB 3.25Å; T140-Q144 PolarHBondContact O-N 3.33Å
141Q98.4Very high98.3Very high120 Ų12074.2 Ų74.256%0.56142%0.415SS*.Hα-helixtrans-56.2-26.1178.368.4-179-69.400114R23 L139 T143R23-Q141 PolarHBondContact NH1-O 2.59Å; R23-Q141 VanDerWaalsContact NH1-O 3.16Å; L139-Q141 PolarHBondContact O-N 2.9Å; L139-Q141 VanDerWaalsContact O-N 3.12Å; Q141-T143 VanDerWaalsContact C-N 3.35Å; Q141-T143 PolarHBondContact O-N 3.15Å
142Y98.8Very high98.3Very high19 Ų1973.1 Ų73.18%0.07542%0.419CS..Hα-helixtrans-74.2-26.7-176.7-69.7-76.1000112.6R23 V47 C48 K51 W52 L139 T140R23-Y142 WeakPolarHBondContact CD-O 3.41Å; R23-Y142 WeakPolarHBondContact CG-O 3.5Å; R23-Y142 VanDerWaalsContact NH1-C 3.29Å; R23-Y142 PolarHBondContact NH1-O 3.45Å; V47-Y142 HydrophobicContact CG1-CD1 4.15Å; V47-Y142 HydrophobicContact CG1-CG 4.46Å; C48-Y142 HydrophobicContact CB-CD1 4.1Å; C48-Y142 HydrophobicContact CB-CD2 3.66Å; C48-Y142 HydrophobicContact CB-CE1 4.02Å; C48-Y142 HydrophobicContact CB-CE2 3.57Å; C48-Y142 HydrophobicContact CB-CG 3.92Å; C48-Y142 WeakPolarHBondContact SG-CE2 3.42Å; K51-Y142 HydrophobicContact CB-CE1 3.91Å; K51-Y142 HydrophobicContact CG-CE1 4.06Å; W52-Y142 PolarHBondContact NE1-OH 2.81Å; L139-Y142 HydrophobicContact CB-CD2 3.95Å; L139-Y142 HydrophobicContact CD2-CD2 3.99Å; L139-Y142 HydrophobicContact CD2-CE2 3.76Å; L139-Y142 WeakPolarHBondContact O-CB 3.45Å; L139-Y142 WeakPolarHBondContact O-CD2 3.36Å; L139-Y142 PolarHBondContact O-N 3Å; T140-Y142 PolarHBondContact O-N 2.82Å
143T98.7Very high98.3Very high33 Ų3371.9 Ų71.920%0.20241%0.414CS..Hα-helixtrans-115.5-7.1178.153.40000113.6L43 A44 V47 T140 Q141 G145 C146 V148L43-T143 HydrophobicContact CB-CG2 4.33Å; L43-T143 HydrophobicContact CD2-CG2 4.06Å; L43-T143 HydrophobicContact CG-CG2 3.96Å; A44-T143 HydrophobicContact CB-CG2 4.08Å; V47-T143 HydrophobicContact CG2-CG2 4.46Å; T140-T143 PolarHBondContact O-N 2.84Å; T140-T143 VanDerWaalsContact O-N 3.15Å; Q141-T143 VanDerWaalsContact C-N 3.35Å; Q141-T143 PolarHBondContact O-N 3.15Å; T143-G145 PolarHBondContact O-N 2.94Å; T143-C146 VanDerWaalsContact O-CB 3.27Å; T143-C146 WeakPolarHBondContact O-CB 3.48Å; T143-C146 PolarHBondContact O-N 3.24Å; T143-C146 VanDerWaalsContact O-N 3.11Å; T143-C146 PolarHBondContact O-SG 3.49Å; T143-C146 VanDerWaalsContact O-SG 3.41Å; T143-V148 HydrophobicContact CG2-CG2 4.42Å
144Q98.6Very high98.3Very high131 Ų13172.7 Ų72.761%0.61242%0.423SS*.THydrogen-bonded Turntrans-54.5131.6178.5-170.7177.214.400112R23 T140 C146R23-Q144 PolarHBondContact NH1-O 3.02Å; R23-Q144 PolarHBondContact NH2-O 2.94Å; T140-Q144 WeakPolarHBondContact O-CB 3.25Å; T140-Q144 PolarHBondContact O-N 3.33Å; Q144-C146 PolarHBondContact O-N 3.23Å
145G98.4Very high98.3Very high79 Ų7977.9 Ų77.981%0.81445%0.453SS*.THydrogen-bonded Turntrans74.33.5178.800000115.4T143T143-G145 PolarHBondContact O-N 2.94Å
146C98.5Very high98.2Very high11 Ų1180.7 Ų80.77%0.07447%0.473CS..SBendtrans-88.8-7.7-176.5-59.20000114.9R23 C24 A27 T143 Q144 V148R23-C146 PolarHBondContact NH1-SG 2.64Å; C24-C146 WeakPolarHBondContact CA-SG 3.47Å; C24-C146 HydrophobicContact CB-CB 3.6Å; C24-C146 WeakPolarHBondContact CB-SG 3.36Å; C24-C146 WeakPolarHBondContact SG-CA 3.38Å; C24-C146 WeakPolarHBondContact SG-CB 3.33Å; C24-C146 CovalentContact SG-SG 2.05Å; C24-C146 PolarHBondContact SG-SG 3.07Å; A27-C146 HydrophobicContact CB-CB 4.4Å; T143-C146 VanDerWaalsContact O-CB 3.27Å; T143-C146 WeakPolarHBondContact O-CB 3.48Å; T143-C146 PolarHBondContact O-N 3.24Å; T143-C146 VanDerWaalsContact O-N 3.11Å; T143-C146 PolarHBondContact O-SG 3.49Å; T143-C146 VanDerWaalsContact O-SG 3.41Å; Q144-C146 PolarHBondContact O-N 3.23Å; C146-V148 VanDerWaalsContact C-N 3.33Å; C146-V148 HydrophobicContact CB-CG2 3.82Å; C146-V148 PolarHBondContact O-N 3.19Å
147G97.6Very high98.2Very high86 Ų8674.5 Ų74.589%0.88744%0.443SS*.  trans65.134.8-178.700000113.5
148V96.3Very high98.2Very high59 Ų5968.2 Ų68.236%0.35843%0.434SS..  trans-1280179.2-66.70000110.6A27 R28 K31 L43 T143 C146A27-V148 HydrophobicContact CB-CG2 4.21Å; R28-V148 HydrophobicContact CB-CG1 4.34Å; R28-V148 HydrophobicContact CG-CG1 3.49Å; R28-V148 VanDerWaalsContact CG-CG1 3.49Å; K31-V148 HydrophobicContact CD-CB 3.7Å; K31-V148 HydrophobicContact CD-CG1 3.9Å; K31-V148 PolarHBondContact NZ-OXT 2.9Å; L43-V148 HydrophobicContact CD2-CB 3.9Å; L43-V148 HydrophobicContact CD2-CG2 3.55Å; T143-V148 HydrophobicContact CG2-CG2 4.42Å; C146-V148 VanDerWaalsContact C-N 3.33Å; C146-V148 HydrophobicContact CB-CG2 3.82Å; C146-V148 PolarHBondContact O-N 3.19Å

Retrieved 148 of 148 residues in 79.3 ms (Link to these results)

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