A0A077YZ73_TRITR Loading...

Nucleoside diphosphate kinase

AlphaFold DB , UniProt , Accession A0A077YZ73, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M64.5Low94.2Very high180 Ų18046.2 Ų46.289%0.88725%0.245SC*.  0132.80-79.7170.1172.100108.5R81M1-R81 HydrophobicContact CB-CG 4.32Å
2G89.5Confident94.6Very high58 Ų5843.8 Ų43.860%0.59823%0.231SC*.  trans-70.5169.1-177.800000113.4
3I95.1Very high94.9Very high20 Ų2040.6 Ų40.610%0.10322%0.215CC..SBendtrans-106.910.5176.160.8168.6000112.5E79 G80 R81 Y151 L153I3-E79 WeakPolarHBondContact O-CG 3.5Å; I3-G80 VanDerWaalsContact O-CA 3.27Å; I3-G80 WeakPolarHBondContact O-CA 3.38Å; I3-G80 PolarHBondContact O-N 2.99Å; I3-R81 HydrophobicContact CG2-CB 4.37Å; I3-Y151 HydrophobicContact CB-CD2 4.42Å; I3-Y151 HydrophobicContact CB-CE2 4.24Å; I3-Y151 HydrophobicContact CD1-CD2 4.18Å; I3-Y151 HydrophobicContact CD1-CE2 4.35Å; I3-Y151 HydrophobicContact CG2-CD1 3.7Å; I3-Y151 HydrophobicContact CG2-CD2 3.76Å; I3-Y151 HydrophobicContact CG2-CE1 3.91Å; I3-Y151 HydrophobicContact CG2-CE2 3.95Å; I3-Y151 HydrophobicContact CG2-CG 3.63Å; I3-L153 HydrophobicContact CD1-CD1 4.28Å; I3-L153 HydrophobicContact CD1-CD2 4.18Å; I3-L153 HydrophobicContact CG2-CD2 3.92Å
4E95.7Very high95.2Very high121 Ų12138.6 Ų38.657%0.56520%0.204SC*.  trans-95.1-1.2-173.4-58-67.6141.200113.2
5E98.3Very high95.4Very high54 Ų5436.1 Ų36.125%0.25219%0.191SC..  trans-61.6139.2175-178.6-175.6101.900109.6E79 G80 D82 I83 V84 V123E5-E79 CarbonylContact O-C 3.54Å; E5-E79 VanDerWaalsContact O-CA 3.24Å; E5-E79 WeakPolarHBondContact O-CA 3.05Å; E5-E79 WeakPolarHBondContact O-CG 3.42Å; E5-G80 PolarHBondContact O-N 3.2Å; E5-D82 WeakPolarHBondContact OE1-CA 3.34Å; E5-I83 HydrophobicContact CB-CG2 4.37Å; E5-I83 HydrophobicContact CG-CG2 4.07Å; E5-I83 WeakPolarHBondContact O-CG2 3.46Å; E5-I83 PolarHBondContact OE1-N 3.29Å; E5-V84 HydrophobicContact CG-CG2 4.22Å; E5-V84 PolarHBondContact OE1-N 3.12Å; E5-V123 HydrophobicContact CG-CG2 4.44Å; E5-V123 WeakPolarHBondContact OE2-CG2 3.22Å
6R98.7Very high95.6Very high73 Ų7335.6 Ų35.628%0.27519%0.19SC..EExtended strand (participates in β ladder)trans-122.5150.9-179.7-65.2177.5-177162.75.4111.9V77 W78 E79 V84 A126 I130R6-V77 HydrophobicContact CB-CG1 4.09Å; R6-V77 HydrophobicContact CG-CG1 4.35Å; R6-W78 CarbonylContact C-O 3.55Å; R6-W78 WeakPolarHBondContact CA-O 3.36Å; R6-E79 HydrophobicContact CG-CB 3.97Å; R6-E79 HydrophobicContact CG-CG 3.84Å; R6-E79 IonicContact CZ-OE2 2.73Å; R6-E79 IonicContact NE-OE2 2.78Å; R6-E79 PolarHBondContact NE-OE2 3.35Å; R6-E79 IonicContact NH2-OE2 2.61Å; R6-E79 PolarHBondContact NH2-OE2 3.47Å; R6-V84 WeakPolarHBondContact O-CG2 3.18Å; R6-A126 WeakPolarHBondContact O-CB 3.32Å; R6-I130 HydrophobicContact CB-CD1 3.58Å
7T98.9Very high95.8Very high0 Ų042.3 Ų42.30%022%0.22CC..EExtended strand (participates in β ladder)trans-131.3150.5170.8-168.50000110.8I9 V77 W78 I83 A87T7-I9 HydrophobicContact CG2-CD1 3.95Å; T7-I9 HydrophobicContact CG2-CG1 4.02Å; T7-V77 WeakPolarHBondContact O-CA 3.38Å; T7-W78 HydrophobicContact CG2-CB 4.27Å; T7-W78 PolarHBondContact N-O 2.9Å; T7-W78 PolarHBondContact O-N 3.44Å; T7-W78 VanDerWaalsContact O-N 3.1Å; T7-I83 HydrophobicContact CG2-CD1 4.03Å; T7-I83 HydrophobicContact CG2-CG1 3.84Å; T7-I83 HydrophobicContact CG2-CG2 4.08Å; T7-A87 HydrophobicContact CG2-CB 4.09Å
8F98.9Very high96Very high0 Ų047.1 Ų47.10%023%0.234CC..EExtended strand (participates in β ladder)trans-92.6128.1170172.3-99.1000109.6A10 A75 H118 G119 S120 E129 I130 W133 F134F8-A10 HydrophobicContact CE1-CB 3.78Å; F8-A10 HydrophobicContact CZ-CB 3.73Å; F8-A75 HydrophobicContact CE2-CB 3.89Å; F8-A75 HydrophobicContact CZ-CB 4.25Å; F8-H118 AromaticContact CD1-CD2 3.56Å; F8-H118 AromaticContact CD1-NE2 3.85Å; F8-H118 AromaticContact CE1-CD2 3.6Å; F8-G119 WeakPolarHBondContact O-CA 3.46Å; F8-S120 WeakPolarHBondContact CB-OG 3.43Å; F8-S120 PolarHBondContact N-OG 3.35Å; F8-S120 PolarHBondContact O-N 3.1Å; F8-S120 PolarHBondContact O-OG 3.3Å; F8-E129 HydrophobicContact CB-CB 3.78Å; F8-E129 HydrophobicContact CD1-CB 3.96Å; F8-E129 WeakPolarHBondContact CD1-OE2 3.4Å; F8-E129 HydrophobicContact CG-CB 3.93Å; F8-I130 HydrophobicContact CB-CG1 4.02Å; F8-W133 HydrophobicContact CD2-CB 4.19Å; F8-W133 HydrophobicContact CD2-CG 4.25Å; F8-W133 HydrophobicContact CE1-CD2 4.36Å; F8-W133 HydrophobicContact CE1-CG 4.39Å; F8-W133 AromaticContact CE1-NE1 3.94Å; F8-W133 HydrophobicContact CE2-CB 3.57Å; F8-W133 AromaticContact CE2-CD1 3.83Å; F8-W133 AromaticContact CE2-CD2 3.69Å; F8-W133 HydrophobicContact CE2-CD2 3.69Å; F8-W133 HydrophobicContact CE2-CE3 4.17Å; F8-W133 AromaticContact CE2-CG 3.41Å; F8-W133 HydrophobicContact CE2-CG 3.41Å; F8-W133 VanDerWaalsContact CE2-CG 3.41Å; F8-W133 HydrophobicContact CZ-CB 4.19Å; F8-W133 AromaticContact CZ-CD1 3.67Å; F8-W133 AromaticContact CZ-CD2 3.38Å; F8-W133 HydrophobicContact CZ-CD2 3.38Å; F8-W133 AromaticContact CZ-CE2 3.51Å; F8-W133 AromaticContact CZ-CE3 3.9Å; F8-W133 HydrophobicContact CZ-CE3 3.9Å; F8-W133 AromaticContact CZ-CG 3.5Å; F8-W133 HydrophobicContact CZ-CG 3.5Å; F8-W133 VanDerWaalsContact CZ-CG 3.5Å; F8-W133 HydrophobicContact CZ-CZ2 4.14Å; F8-W133 HydrophobicContact CZ-CZ3 4.46Å; F8-W133 AromaticContact CZ-NE1 3.66Å; F8-F134 HydrophobicContact CD2-CE2 4.2Å; F8-F134 HydrophobicContact CE2-CE2 4.04Å
9I98.9Very high96.1Very high0 Ų047.1 Ų47.10%025%0.248CC..EExtended strand (participates in β ladder)trans-122.6137.2174.7-55-62.2000108T7 V24 F28 M76 A87 L91 V117 H118T7-I9 HydrophobicContact CG2-CD1 3.95Å; T7-I9 HydrophobicContact CG2-CG1 4.02Å; I9-V24 HydrophobicContact CG2-CG1 4.19Å; I9-F28 HydrophobicContact CD1-CE1 4.05Å; I9-F28 HydrophobicContact CD1-CZ 3.66Å; I9-F28 HydrophobicContact CG1-CE1 3.9Å; I9-F28 HydrophobicContact CG1-CE2 4.46Å; I9-F28 HydrophobicContact CG1-CZ 3.73Å; I9-F28 HydrophobicContact CG2-CE2 4.32Å; I9-F28 HydrophobicContact CG2-CZ 4.33Å; I9-M76 HydrophobicContact CB-CB 4.5Å; I9-M76 HydrophobicContact CB-CE 4.19Å; I9-M76 HydrophobicContact CG2-CE 3.73Å; I9-M76 PolarHBondContact N-O 2.74Å; I9-M76 PolarHBondContact O-N 3.17Å; I9-A87 HydrophobicContact CD1-CB 3.9Å; I9-L91 HydrophobicContact CD1-CD1 4.37Å; I9-V117 HydrophobicContact CG2-CG2 3.76Å; I9-H118 WeakPolarHBondContact CA-O 3.5Å
10A98.8Very high96.2Very high2 Ų245.8 Ų45.82%0.01724%0.241CC..EExtended strand (participates in β ladder)trans-132.2125.4172.900000111.7F8 K12 V74 V117 H118F8-A10 HydrophobicContact CE1-CB 3.78Å; F8-A10 HydrophobicContact CZ-CB 3.73Å; A10-K12 PolarHBondContact O-N 3.06Å; A10-V74 CarbonylContact C-O 3.24Å; A10-V74 VanDerWaalsContact CA-O 3.27Å; A10-V74 WeakPolarHBondContact CA-O 3.36Å; A10-V117 CarbonylContact O-C 3.56Å; A10-V117 VanDerWaalsContact O-CA 3.31Å; A10-V117 WeakPolarHBondContact O-CA 3.2Å; A10-H118 HydrophobicContact CB-CB 4.3Å; A10-H118 PolarHBondContact N-O 2.85Å; A10-H118 PolarHBondContact O-N 2.77Å
11V98.9Very high96.4Very high0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-75.1121164.1-171.10000107.5V16 V21 V24 V73 V74 M76 L116V11-V16 HydrophobicContact CG1-CG2 4.27Å; V11-V21 HydrophobicContact CG1-CG2 4.21Å; V11-V24 HydrophobicContact CG2-CB 3.9Å; V11-V24 HydrophobicContact CG2-CG1 4.03Å; V11-V24 HydrophobicContact CG2-CG2 3.93Å; V11-V73 VanDerWaalsContact O-CA 3.26Å; V11-V73 WeakPolarHBondContact O-CA 3.16Å; V11-V73 VanDerWaalsContact O-CB 3.28Å; V11-V73 WeakPolarHBondContact O-CB 3.26Å; V11-V74 HydrophobicContact CB-CB 4.05Å; V11-V74 HydrophobicContact CG2-CB 4.19Å; V11-V74 PolarHBondContact N-O 2.88Å; V11-V74 PolarHBondContact O-N 3.26Å; V11-M76 HydrophobicContact CG2-CE 3.71Å; V11-L116 HydrophobicContact CG1-CD1 4.32Å
12K98.8Very high98Very high17 Ų1740.3 Ų40.37%0.07422%0.216CC..  trans-77.1169.9-177-62.1-174.7178.8-172.90110.9A10 D14 G15 V16 Y67 M68 N115 L116A10-K12 PolarHBondContact O-N 3.06Å; K12-D14 VanDerWaalsContact C-N 3.27Å; K12-D14 VanDerWaalsContact CB-OD1 3.25Å; K12-D14 WeakPolarHBondContact CB-OD1 3.33Å; K12-D14 PolarHBondContact O-N 3.32Å; K12-G15 WeakPolarHBondContact O-CA 3.28Å; K12-G15 PolarHBondContact O-N 2.96Å; K12-V16 PolarHBondContact O-N 2.73Å; K12-Y67 HydrophobicContact CD-CE1 4.09Å; K12-M68 HydrophobicContact CB-SD 4.11Å; K12-M68 HydrophobicContact CD-SD 3.92Å; K12-M68 HydrophobicContact CG-CE 4.22Å; K12-M68 HydrophobicContact CG-SD 3.8Å; K12-N115 PolarHBondContact NZ-OD1 3.38Å; K12-L116 WeakPolarHBondContact CB-O 3.39Å; K12-L116 PolarHBondContact N-O 3.46Å
13P98.8Very high98.4Very high3 Ų339.5 Ų39.52%0.01920%0.197CC..Hα-helixtrans-57.9-36.4-174.7-29.339.5000114.1G15 V16 Q17 P72 V73P13-G15 VanDerWaalsContact C-N 3.32Å; P13-G15 PolarHBondContact O-N 3.49Å; P13-V16 PolarHBondContact O-N 3.05Å; P13-Q17 WeakPolarHBondContact O-CB 3.31Å; P13-Q17 WeakPolarHBondContact O-CG 3.4Å; P13-Q17 PolarHBondContact O-N 2.74Å; P13-P72 WeakPolarHBondContact CA-O 3.42Å; P13-V73 HydrophobicContact CG-CG1 3.9Å
14D98.8Very high98.6Very high13 Ų1338.5 Ų38.57%0.0719%0.192CC..Hα-helixtrans-61.6-38.7174.565.6-30.4000112.8K12 Q17 R18 Y67 R114 L116K12-D14 VanDerWaalsContact C-N 3.27Å; K12-D14 VanDerWaalsContact CB-OD1 3.25Å; K12-D14 WeakPolarHBondContact CB-OD1 3.33Å; K12-D14 PolarHBondContact O-N 3.32Å; D14-Q17 PolarHBondContact O-N 2.97Å; D14-R18 VanDerWaalsContact O-CB 3.26Å; D14-R18 WeakPolarHBondContact O-CB 3.25Å; D14-R18 WeakPolarHBondContact O-CD 3.5Å; D14-R18 WeakPolarHBondContact O-CG 3.39Å; D14-R18 PolarHBondContact O-N 3.44Å; D14-Y67 HydrophobicContact CB-CE2 4.47Å; D14-Y67 WeakPolarHBondContact CB-OH 3.43Å; D14-Y67 PolarHBondContact OD1-OH 3.47Å; D14-Y67 PolarHBondContact OD2-OH 3.22Å; D14-R114 VanDerWaalsContact OD2-CA 3.31Å; D14-R114 WeakPolarHBondContact OD2-CA 3.36Å; D14-L116 WeakPolarHBondContact OD1-CA 3.43Å; D14-L116 WeakPolarHBondContact OD2-CA 3.25Å; D14-L116 PolarHBondContact OD2-N 2.98Å
15G98.8Very high98.7Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-64.9-40.417600000113.9K12 P13 G19 L20K12-G15 WeakPolarHBondContact O-CA 3.28Å; K12-G15 PolarHBondContact O-N 2.96Å; P13-G15 VanDerWaalsContact C-N 3.32Å; P13-G15 PolarHBondContact O-N 3.49Å; G15-G19 PolarHBondContact O-N 3.14Å; G15-L20 PolarHBondContact O-N 3.14Å
16V98.7Very high98.8Very high29 Ų2937.3 Ų37.318%0.17618%0.182CC..Hα-helixtrans-67.2-48.8175.6-176.40000110.1V11 K12 P13 R18 G19 V21 M40 P72 V74V11-V16 HydrophobicContact CG1-CG2 4.27Å; K12-V16 PolarHBondContact O-N 2.73Å; P13-V16 PolarHBondContact O-N 3.05Å; V16-R18 PolarHBondContact O-N 3.21Å; V16-G19 PolarHBondContact O-N 3.11Å; V16-V21 HydrophobicContact CB-CG2 4.45Å; V16-V21 HydrophobicContact CG2-CG2 3.99Å; V16-M40 HydrophobicContact CG1-CE 4.08Å; V16-P72 HydrophobicContact CB-CG 4.42Å; V16-P72 HydrophobicContact CG1-CG 3.86Å; V16-P72 WeakPolarHBondContact CG2-O 3.43Å; V16-V74 HydrophobicContact CG2-CG2 4.07Å
17Q98.6Very high98.7Very high149 Ų14936 Ų3670%0.69618%0.177SC*.Hα-helixtrans-60.3-31.1179.5-70.9-7210.100113.3P13 D14P13-Q17 WeakPolarHBondContact O-CB 3.31Å; P13-Q17 WeakPolarHBondContact O-CG 3.4Å; P13-Q17 PolarHBondContact O-N 2.74Å; D14-Q17 PolarHBondContact O-N 2.97Å
18R98.7Very high98.7Very high128 Ų12836 Ų3648%0.48318%0.177SC..THydrogen-bonded Turntrans-90.13.5179.2-67.6170.461.4-154.3-2.6113.9D14 V16 L20 F108D14-R18 VanDerWaalsContact O-CB 3.26Å; D14-R18 WeakPolarHBondContact O-CB 3.25Å; D14-R18 WeakPolarHBondContact O-CD 3.5Å; D14-R18 WeakPolarHBondContact O-CG 3.39Å; D14-R18 PolarHBondContact O-N 3.44Å; V16-R18 PolarHBondContact O-N 3.21Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 HydrophobicContact CB-CD1 4.02Å; R18-L20 HydrophobicContact CB-CG 4.08Å; R18-L20 PolarHBondContact O-N 3.33Å; R18-F108 PolarHBondContact NH1-O 3.2Å; R18-F108 PolarHBondContact NH2-O 2.62Å
19G98.5Very high98.7Very high48 Ų4840.9 Ų40.950%0.49520%0.2SC..THydrogen-bonded Turntrans66.332.9179.600000113.8G15 V16 N22G15-G19 PolarHBondContact O-N 3.14Å; V16-G19 PolarHBondContact O-N 3.11Å; G19-N22 PolarHBondContact O-OD1 3.34Å
20L98.8Very high98.6Very high21 Ų2147.9 Ų47.911%0.1123%0.234CC..  trans-102.69.1-175.7-66175.3000113.9G15 R18 N22 E23 V24 F108 L116G15-L20 PolarHBondContact O-N 3.14Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 HydrophobicContact CB-CD1 4.02Å; R18-L20 HydrophobicContact CB-CG 4.08Å; R18-L20 PolarHBondContact O-N 3.33Å; L20-N22 VanDerWaalsContact C-N 3.28Å; L20-N22 PolarHBondContact O-N 2.7Å; L20-E23 HydrophobicContact CD2-CG 4.21Å; L20-E23 PolarHBondContact O-N 3.4Å; L20-V24 PolarHBondContact O-N 2.9Å; L20-F108 HydrophobicContact CD1-CB 3.95Å; L20-F108 HydrophobicContact CD1-CG 4.31Å; L20-F108 HydrophobicContact CD2-CD1 4.21Å; L20-F108 HydrophobicContact CD2-CE1 4.42Å; L20-F108 HydrophobicContact CD2-CG 4.44Å; L20-L116 HydrophobicContact CB-CD1 3.79Å; L20-L116 HydrophobicContact CD1-CD1 3.81Å; L20-L116 HydrophobicContact CD1-CD2 4.2Å; L20-L116 HydrophobicContact CG-CD1 4.48Å
21V98.9Very high98.6Very high25 Ų2555.6 Ų55.615%0.15226%0.263CS..Hα-helixtrans-58.3-43.6176.9177.20000110.8V11 V16 E23 V24 L25 V74V11-V21 HydrophobicContact CG1-CG2 4.21Å; V16-V21 HydrophobicContact CB-CG2 4.45Å; V16-V21 HydrophobicContact CG2-CG2 3.99Å; V21-E23 PolarHBondContact O-N 2.89Å; V21-V24 PolarHBondContact O-N 2.96Å; V21-L25 HydrophobicContact CG1-CD1 4.01Å; V21-L25 PolarHBondContact O-N 3.4Å; V21-V74 HydrophobicContact CG1-CB 4.36Å; V21-V74 HydrophobicContact CG1-CG1 4.22Å; V21-V74 HydrophobicContact CG1-CG2 3.94Å; V21-V74 HydrophobicContact CG2-CG2 3.85Å
22N98.6Very high98.5Very high86 Ų8655.9 Ų55.946%0.4627%0.266SS..Hα-helixtrans-62.8-38.9178.368.3-53.2000112G19 L20 L25 R26G19-N22 PolarHBondContact O-OD1 3.34Å; L20-N22 VanDerWaalsContact C-N 3.28Å; L20-N22 PolarHBondContact O-N 2.7Å; N22-L25 PolarHBondContact O-N 2.93Å; N22-R26 WeakPolarHBondContact O-CB 3.19Å; N22-R26 PolarHBondContact O-N 3.21Å
23E98.6Very high98.4Very high40 Ų4056 Ų5619%0.18727%0.266CS..Hα-helixtrans-66.9-39179.9-75.7-56.513800111.8L20 V21 R26 R27 F108L20-E23 HydrophobicContact CD2-CG 4.21Å; L20-E23 PolarHBondContact O-N 3.4Å; V21-E23 PolarHBondContact O-N 2.89Å; E23-R26 IonicContact OE1-NE 3.68Å; E23-R26 IonicContact OE2-CZ 2.73Å; E23-R26 IonicContact OE2-NE 3.18Å; E23-R26 PolarHBondContact OE2-NE 3.46Å; E23-R26 IonicContact OE2-NH2 2.91Å; E23-R26 PolarHBondContact OE2-NH2 2.87Å; E23-R27 WeakPolarHBondContact O-CG 3.4Å; E23-R27 PolarHBondContact O-N 3.36Å; E23-R27 VanDerWaalsContact O-N 3.15Å; E23-F108 HydrophobicContact CB-CE2 3.83Å; E23-F108 HydrophobicContact CB-CZ 4.04Å; E23-F108 HydrophobicContact CG-CE1 4.46Å; E23-F108 HydrophobicContact CG-CE2 4.07Å; E23-F108 HydrophobicContact CG-CZ 3.73Å
24V98.8Very high98.4Very high0 Ų056.9 Ų56.90%027%0.27CS..Hα-helixtrans-64-53.2174.3-1790000109.8I9 V11 L20 V21 R26 R27 F28 M76 L104 V117I9-V24 HydrophobicContact CG2-CG1 4.19Å; V11-V24 HydrophobicContact CG2-CB 3.9Å; V11-V24 HydrophobicContact CG2-CG1 4.03Å; V11-V24 HydrophobicContact CG2-CG2 3.93Å; L20-V24 PolarHBondContact O-N 2.9Å; V21-V24 PolarHBondContact O-N 2.96Å; V24-R26 PolarHBondContact O-N 3.03Å; V24-R27 PolarHBondContact O-N 3.14Å; V24-F28 HydrophobicContact CG1-CD2 4.27Å; V24-F28 HydrophobicContact CG1-CE2 4.18Å; V24-F28 WeakPolarHBondContact O-CD2 3.39Å; V24-F28 PolarHBondContact O-N 3.28Å; V24-M76 HydrophobicContact CG1-CE 3.95Å; V24-L104 HydrophobicContact CG1-CD1 4.22Å; V24-L104 HydrophobicContact CG2-CD1 4.23Å; V24-L104 HydrophobicContact CG2-CD2 4.17Å; V24-V117 HydrophobicContact CG1-CG2 4.17Å
25L98.7Very high98.4Very high31 Ų3158.3 Ų58.316%0.16228%0.277CS..Hα-helixtrans-52.1-54.9176.9-79.3167.9000111.8V21 N22 R27 F28 E29 L35 M38 M76 W78V21-L25 HydrophobicContact CG1-CD1 4.01Å; V21-L25 PolarHBondContact O-N 3.4Å; N22-L25 PolarHBondContact O-N 2.93Å; L25-R27 VanDerWaalsContact C-N 3.3Å; L25-R27 PolarHBondContact O-N 3.02Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-F28 VanDerWaalsContact O-N 3.08Å; L25-E29 WeakPolarHBondContact O-CG 3.19Å; L25-E29 PolarHBondContact O-N 3.32Å; L25-L35 HydrophobicContact CD2-CD2 4.35Å; L25-M38 HydrophobicContact CD1-CE 4.05Å; L25-M38 HydrophobicContact CD1-SD 4.22Å; L25-M38 HydrophobicContact CD2-SD 3.9Å; L25-M76 HydrophobicContact CD2-SD 3.6Å; L25-M76 VanDerWaalsContact CD2-SD 3.6Å; L25-M76 HydrophobicContact CG-SD 4.16Å; L25-W78 HydrophobicContact CD2-CH2 4.32Å; L25-W78 HydrophobicContact CD2-CZ2 3.8Å
26R98.7Very high98.4Very high118 Ų11858.5 Ų58.545%0.44528%0.278SS..Hα-helixtrans-54.8-43.9-176.8-174-177.775.186.9-0.9111.8N22 E23 V24 F28 E29 M30N22-R26 WeakPolarHBondContact O-CB 3.19Å; N22-R26 PolarHBondContact O-N 3.21Å; E23-R26 IonicContact OE1-NE 3.68Å; E23-R26 IonicContact OE2-CZ 2.73Å; E23-R26 IonicContact OE2-NE 3.18Å; E23-R26 PolarHBondContact OE2-NE 3.46Å; E23-R26 IonicContact OE2-NH2 2.91Å; E23-R26 PolarHBondContact OE2-NH2 2.87Å; V24-R26 PolarHBondContact O-N 3.03Å; R26-F28 PolarHBondContact O-N 2.97Å; R26-E29 PolarHBondContact O-N 2.94Å; R26-M30 HydrophobicContact CG-CG 4.09Å; R26-M30 VanDerWaalsContact O-CB 3.23Å; R26-M30 WeakPolarHBondContact O-CB 3.49Å; R26-M30 WeakPolarHBondContact O-CG 3.4Å; R26-M30 PolarHBondContact O-N 2.73Å
27R98.6Very high98.4Very high46 Ų4657.3 Ų57.317%0.17427%0.272CS..Hα-helixtrans-65.6-37.2-179.4-70.7-159.9-163.2-159.50.9112.7E23 V24 L25 R31 M90 G102 L104 D107E23-R27 WeakPolarHBondContact O-CG 3.4Å; E23-R27 PolarHBondContact O-N 3.36Å; E23-R27 VanDerWaalsContact O-N 3.15Å; V24-R27 PolarHBondContact O-N 3.14Å; L25-R27 VanDerWaalsContact C-N 3.3Å; L25-R27 PolarHBondContact O-N 3.02Å; R27-R31 VanDerWaalsContact O-CB 3.28Å; R27-R31 WeakPolarHBondContact O-CB 3.48Å; R27-R31 PolarHBondContact O-N 3.09Å; R27-M90 HydrophobicContact CB-CE 4.03Å; R27-M90 WeakPolarHBondContact O-CE 2.85Å; R27-G102 VanDerWaalsContact NH1-C 3.3Å; R27-G102 PolarHBondContact NH1-O 3.43Å; R27-L104 HydrophobicContact CG-CD2 4.22Å; R27-D107 IonicContact CZ-OD2 3.95Å; R27-D107 IonicContact NH1-OD2 2.98Å; R27-D107 PolarHBondContact NH1-OD2 2.81Å; R27-D107 IonicContact NH2-OD2 3.9Å; R27-D107 PolarHBondContact NH2-OD2 2.8Å
28F98.7Very high98.4Very high0 Ų054.4 Ų54.40%026%0.259CS..Hα-helixtrans-73.2-41.5176.3-80.7-98.5000112.3I9 V24 L25 R26 R31 G32 Y33 W78 A87 M90 L91 L104I9-F28 HydrophobicContact CD1-CE1 4.05Å; I9-F28 HydrophobicContact CD1-CZ 3.66Å; I9-F28 HydrophobicContact CG1-CE1 3.9Å; I9-F28 HydrophobicContact CG1-CE2 4.46Å; I9-F28 HydrophobicContact CG1-CZ 3.73Å; I9-F28 HydrophobicContact CG2-CE2 4.32Å; I9-F28 HydrophobicContact CG2-CZ 4.33Å; V24-F28 HydrophobicContact CG1-CD2 4.27Å; V24-F28 HydrophobicContact CG1-CE2 4.18Å; V24-F28 WeakPolarHBondContact O-CD2 3.39Å; V24-F28 PolarHBondContact O-N 3.28Å; L25-F28 PolarHBondContact O-N 3.37Å; L25-F28 VanDerWaalsContact O-N 3.08Å; R26-F28 PolarHBondContact O-N 2.97Å; F28-R31 PolarHBondContact O-N 3.3Å; F28-G32 PolarHBondContact O-N 2.92Å; F28-Y33 AromaticContact CD1-CD2 3.95Å; F28-Y33 HydrophobicContact CD1-CD2 3.95Å; F28-Y33 PolarHBondContact O-N 3.23Å; F28-W78 HydrophobicContact CB-CD2 3.73Å; F28-W78 HydrophobicContact CB-CE3 3.77Å; F28-W78 HydrophobicContact CB-CH2 3.5Å; F28-W78 HydrophobicContact CB-CZ2 3.42Å; F28-W78 VanDerWaalsContact CB-CZ2 3.42Å; F28-W78 HydrophobicContact CB-CZ3 3.66Å; F28-W78 HydrophobicContact CD1-CB 4.32Å; F28-W78 AromaticContact CD1-CD2 3.86Å; F28-W78 HydrophobicContact CD1-CD2 3.86Å; F28-W78 HydrophobicContact CD1-CE3 4.39Å; F28-W78 AromaticContact CD1-CG 3.82Å; F28-W78 HydrophobicContact CD1-CG 3.82Å; F28-W78 HydrophobicContact CE1-CG 4.37Å; F28-W78 HydrophobicContact CG-CD2 4.02Å; F28-W78 AromaticContact CG-CE2 3.83Å; F28-W78 HydrophobicContact CG-CE3 4.47Å; F28-W78 HydrophobicContact CG-CG 4.37Å; F28-W78 HydrophobicContact CG-CZ2 4.14Å; F28-A87 HydrophobicContact CE1-CB 3.71Å; F28-A87 HydrophobicContact CZ-CB 3.84Å; F28-M90 HydrophobicContact CD1-CE 4.37Å; F28-M90 HydrophobicContact CD2-CE 4.02Å; F28-M90 HydrophobicContact CE2-CE 4.23Å; F28-M90 HydrophobicContact CG-CE 4.1Å; F28-M90 HydrophobicContact CZ-CE 4.48Å; F28-L91 HydrophobicContact CE2-CD1 3.92Å; F28-L91 HydrophobicContact CZ-CD1 3.67Å; F28-L104 HydrophobicContact CE2-CD1 4.25Å
29E98.3Very high98.4Very high102 Ų10250.6 Ų50.648%0.47725%0.246SC..Hα-helixtrans-62.1-49.7176.7-68.1-170.4119.600111.9L25 R26 R31 G32 W78 R144L25-E29 WeakPolarHBondContact O-CG 3.19Å; L25-E29 PolarHBondContact O-N 3.32Å; R26-E29 PolarHBondContact O-N 2.94Å; E29-R31 PolarHBondContact O-N 3.24Å; E29-G32 PolarHBondContact O-N 3.42Å; E29-W78 HydrophobicContact CG-CH2 3.66Å; E29-W78 HydrophobicContact CG-CZ3 4.11Å; E29-R144 PolarHBondContact O-NH2 2.91Å
30M97.6Very high98.4Very high147 Ų14753.7 Ų53.772%0.72425%0.249SC*.Hα-helixtrans-64.7-26.2-179.9-71.6-61.9-59.400112.6R26 G32R26-M30 HydrophobicContact CG-CG 4.09Å; R26-M30 VanDerWaalsContact O-CB 3.23Å; R26-M30 WeakPolarHBondContact O-CB 3.49Å; R26-M30 WeakPolarHBondContact O-CG 3.4Å; R26-M30 PolarHBondContact O-N 2.73Å; M30-G32 VanDerWaalsContact C-N 3.26Å
31R97Very high98.4Very high164 Ų16454.9 Ų54.962%0.61926%0.255SS*.Hα-helixtrans-73.6-19.9175.3-171.958.3172.8-176.42.2112.7R27 F28 E29 Y33 M90R27-R31 VanDerWaalsContact O-CB 3.28Å; R27-R31 WeakPolarHBondContact O-CB 3.48Å; R27-R31 PolarHBondContact O-N 3.09Å; F28-R31 PolarHBondContact O-N 3.3Å; E29-R31 PolarHBondContact O-N 3.24Å; R31-Y33 HydrophobicContact CB-CD2 3.99Å; R31-Y33 HydrophobicContact CB-CE2 4.08Å; R31-Y33 HydrophobicContact CG-CD2 3.83Å; R31-Y33 HydrophobicContact CG-CE2 3.4Å; R31-M90 HydrophobicContact CB-CE 4.14Å; R31-M90 HydrophobicContact CB-SD 4.25Å; R31-M90 HydrophobicContact CG-CE 4.41Å; R31-M90 HydrophobicContact CG-SD 3.87Å
32G97.1Very high98.4Very high7 Ų758.1 Ų58.17%0.07228%0.275CS..THydrogen-bonded Turntrans100.69.6-178.500000114.6F28 E29 M30 R144F28-G32 PolarHBondContact O-N 2.92Å; E29-G32 PolarHBondContact O-N 3.42Å; M30-G32 VanDerWaalsContact C-N 3.26Å; G32-R144 PolarHBondContact O-NH1 3.31Å
33Y98.1Very high98.3Very high19 Ų1954.3 Ų54.38%0.07526%0.255CS..PPolyproline II helixtrans-78.8146.7174.4-64.2-55000112.2F28 R31 W78 I83 A86 M90 R144F28-Y33 AromaticContact CD1-CD2 3.95Å; F28-Y33 HydrophobicContact CD1-CD2 3.95Å; F28-Y33 PolarHBondContact O-N 3.23Å; R31-Y33 HydrophobicContact CB-CD2 3.99Å; R31-Y33 HydrophobicContact CB-CE2 4.08Å; R31-Y33 HydrophobicContact CG-CD2 3.83Å; R31-Y33 HydrophobicContact CG-CE2 3.4Å; Y33-W78 WeakPolarHBondContact O-CZ3 3.25Å; Y33-I83 HydrophobicContact CD1-CB 4.05Å; Y33-I83 HydrophobicContact CD1-CD1 3.35Å; Y33-I83 HydrophobicContact CD1-CG1 3.58Å; Y33-I83 HydrophobicContact CD2-CD1 3.98Å; Y33-I83 HydrophobicContact CD2-CG1 4.06Å; Y33-I83 HydrophobicContact CE1-CB 3.83Å; Y33-I83 HydrophobicContact CE1-CD1 3.98Å; Y33-I83 HydrophobicContact CE1-CG1 3.65Å; Y33-I83 HydrophobicContact CE2-CG1 4.11Å; Y33-I83 HydrophobicContact CG-CD1 3.37Å; Y33-I83 HydrophobicContact CG-CG1 3.82Å; Y33-A86 HydrophobicContact CE2-CB 4.35Å; Y33-A86 WeakPolarHBondContact OH-CB 3.23Å; Y33-M90 HydrophobicContact CD2-SD 4.33Å; Y33-M90 HydrophobicContact CE2-SD 3.81Å; Y33-R144 PolarHBondContact O-NH1 3.49Å
34K98.2Very high98.2Very high21 Ų2155.4 Ų55.49%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-94.2121.6-176.3-171.3177.968.8-177.10109.9V36 W78 E79 W142 R144K34-V36 HydrophobicContact CD-CG1 4.43Å; K34-V36 HydrophobicContact CG-CG1 4.24Å; K34-W78 CarbonylContact O-C 3.55Å; K34-W78 WeakPolarHBondContact O-CA 3.28Å; K34-E79 HydrophobicContact CB-CB 4.37Å; K34-E79 WeakPolarHBondContact CE-OE1 3.04Å; K34-E79 PolarHBondContact N-O 3.38Å; K34-E79 IonicContact NZ-OE1 3.82Å; K34-E79 PolarHBondContact NZ-OE1 3.32Å; K34-E79 PolarHBondContact O-N 2.95Å; K34-W142 HydrophobicContact CD-CD2 4.24Å; K34-W142 HydrophobicContact CD-CH2 4.45Å; K34-W142 HydrophobicContact CD-CZ2 4Å; K34-W142 HydrophobicContact CG-CD2 4.43Å; K34-W142 HydrophobicContact CG-CH2 3.88Å; K34-W142 HydrophobicContact CG-CZ2 3.3Å; K34-W142 PolarHBondContact NZ-O 2.78Å; K34-R144 HydrophobicContact CD-CB 4.14Å; K34-R144 HydrophobicContact CG-CB 4.45Å
35L98.7Very high98Very high44 Ų4460.2 Ų60.223%0.2329%0.294CS..EExtended strand (participates in β ladder)trans-75124.3172.7-176.764.6000109.3L25 A37 M38 M76 W78 W142L25-L35 HydrophobicContact CD2-CD2 4.35Å; L35-A37 WeakPolarHBondContact CD1-O 3.38Å; L35-M38 HydrophobicContact CD1-CB 4.38Å; L35-M38 HydrophobicContact CD2-CB 4.32Å; L35-M38 HydrophobicContact CD2-SD 4.4Å; L35-M76 HydrophobicContact CD1-CB 4.22Å; L35-M76 HydrophobicContact CD1-CG 4.37Å; L35-W78 HydrophobicContact CB-CE3 4.01Å; L35-W78 HydrophobicContact CB-CH2 3.92Å; L35-W78 HydrophobicContact CB-CZ2 4.45Å; L35-W78 HydrophobicContact CB-CZ3 3.69Å; L35-W78 HydrophobicContact CD1-CD2 4.06Å; L35-W78 HydrophobicContact CD1-CE3 4.4Å; L35-W78 HydrophobicContact CD1-CH2 4.17Å; L35-W78 HydrophobicContact CD1-CZ2 3.84Å; L35-W78 HydrophobicContact CD1-CZ3 4.46Å; L35-W78 HydrophobicContact CG-CH2 4.47Å; L35-W142 WeakPolarHBondContact O-CZ2 3.24Å; L35-W142 PolarHBondContact O-NE1 3.36Å
36V98.8Very high97.9Very high3 Ų363 Ų632%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-118.9-14.2-179-61.20000113.6K34 V77 E79 I139 C140K34-V36 HydrophobicContact CD-CG1 4.43Å; K34-V36 HydrophobicContact CG-CG1 4.24Å; V36-V77 HydrophobicContact CG2-CB 3.77Å; V36-V77 HydrophobicContact CG2-CG1 3.49Å; V36-V77 VanDerWaalsContact CG2-CG1 3.49Å; V36-V77 WeakPolarHBondContact CG2-O 3.2Å; V36-V77 PolarHBondContact N-O 3.05Å; V36-E79 HydrophobicContact CG1-CB 3.94Å; V36-E79 HydrophobicContact CG2-CB 4.47Å; V36-I139 HydrophobicContact CB-CG2 4.06Å; V36-I139 HydrophobicContact CG2-CG2 3.95Å; V36-I139 CarbonylContact O-C 3.54Å; V36-C140 PolarHBondContact O-N 2.73Å
37A98.9Very high97.8Very high5 Ų558.4 Ų58.44%0.04129%0.293CS..EExtended strand (participates in β ladder)trans-157.2149.4167.800000110.9L35 M76 V77 F134 E138 I139L35-A37 WeakPolarHBondContact CD1-O 3.38Å; A37-M76 CarbonylContact O-C 3.58Å; A37-M76 VanDerWaalsContact O-CA 3.28Å; A37-M76 WeakPolarHBondContact O-CA 3.48Å; A37-V77 HydrophobicContact CB-CB 4.02Å; A37-V77 HydrophobicContact CB-CG2 3.98Å; A37-V77 PolarHBondContact N-O 2.83Å; A37-V77 PolarHBondContact O-N 2.93Å; A37-F134 HydrophobicContact CB-CD1 3.82Å; A37-F134 HydrophobicContact CB-CE1 3.66Å; A37-F134 HydrophobicContact CB-CG 4.38Å; A37-F134 HydrophobicContact CB-CZ 4.1Å; A37-E138 WeakPolarHBondContact CB-O 3.43Å; A37-I139 HydrophobicContact CB-CD1 3.5Å; A37-I139 VanDerWaalsContact CB-CD1 3.5Å
38M98.8Very high97.7Very high88 Ų8856.2 Ų56.243%0.43328%0.284SS..EExtended strand (participates in β ladder)trans-153.7137.9173.6176.8174161.600110.2L25 L35 V74 A75 M76L25-M38 HydrophobicContact CD1-CE 4.05Å; L25-M38 HydrophobicContact CD1-SD 4.22Å; L25-M38 HydrophobicContact CD2-SD 3.9Å; L35-M38 HydrophobicContact CD1-CB 4.38Å; L35-M38 HydrophobicContact CD2-CB 4.32Å; L35-M38 HydrophobicContact CD2-SD 4.4Å; M38-V74 HydrophobicContact CE-CG1 3.7Å; M38-V74 HydrophobicContact CG-CG1 4.03Å; M38-V74 HydrophobicContact SD-CG1 4.35Å; M38-A75 CarbonylContact C-O 3.57Å; M38-A75 VanDerWaalsContact CA-O 3.3Å; M38-A75 WeakPolarHBondContact CA-O 3.37Å; M38-M76 HydrophobicContact CB-CG 4.21Å; M38-M76 HydrophobicContact CG-CG 3.96Å; M38-M76 HydrophobicContact SD-CG 4.46Å
39K98.7Very high97.6Very high48 Ų4857.8 Ų57.821%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-151.8148.4168.162.9-175.2171.3-170.70112.2I41 V74 A75 W133 F134 E138K39-I41 HydrophobicContact CB-CG2 4.43Å; K39-I41 HydrophobicContact CD-CG2 3.91Å; K39-I41 HydrophobicContact CG-CG2 3.99Å; K39-V74 WeakPolarHBondContact O-CA 3.49Å; K39-A75 HydrophobicContact CG-CB 4.27Å; K39-A75 PolarHBondContact N-O 2.91Å; K39-A75 PolarHBondContact O-N 3.47Å; K39-W133 WeakPolarHBondContact CE-O 3.15Å; K39-W133 PolarHBondContact NZ-O 2.97Å; K39-F134 HydrophobicContact CB-CE1 4.43Å; K39-F134 HydrophobicContact CD-CD1 4.27Å; K39-F134 HydrophobicContact CD-CE1 3.84Å; K39-F134 HydrophobicContact CD-CZ 4.45Å; K39-F134 HydrophobicContact CG-CE1 3.69Å; K39-F134 HydrophobicContact CG-CZ 3.96Å; K39-E138 WeakPolarHBondContact CD-OE1 3.28Å; K39-E138 VanDerWaalsContact NZ-CD 3.3Å; K39-E138 IonicContact NZ-OE1 3.19Å; K39-E138 PolarHBondContact NZ-OE1 3.16Å; K39-E138 IonicContact NZ-OE2 2.7Å; K39-E138 PolarHBondContact NZ-OE2 2.93Å
40M98.7Very high97.5Very high113 Ų11358 Ų5856%0.55730%0.295SS*.EExtended strand (participates in β ladder)trans-97.7123.1168-175.3177.8-75.800109V16 P72 V73 V74V16-M40 HydrophobicContact CG1-CE 4.08Å; M40-P72 HydrophobicContact CG-CB 3.94Å; M40-P72 HydrophobicContact SD-CB 4.2Å; M40-V73 VanDerWaalsContact CA-O 3.3Å; M40-V73 WeakPolarHBondContact CA-O 3.4Å; M40-V74 HydrophobicContact CB-CG2 4.35Å; M40-V74 HydrophobicContact CE-CG2 3.6Å; M40-V74 HydrophobicContact CG-CG2 4.31Å
41I98.4Very high97.5Very high45 Ų4551.5 Ų51.523%0.23126%0.262CS..EExtended strand (participates in β ladder)trans-141.3157.6179.664.8169.2000110.9K39 L47 P72 V73 W133K39-I41 HydrophobicContact CB-CG2 4.43Å; K39-I41 HydrophobicContact CD-CG2 3.91Å; K39-I41 HydrophobicContact CG-CG2 3.99Å; I41-L47 HydrophobicContact CD1-CD2 4.04Å; I41-P72 CarbonylContact O-C 3.57Å; I41-P72 WeakPolarHBondContact O-CA 3.31Å; I41-V73 HydrophobicContact CG1-CG2 4.01Å; I41-V73 PolarHBondContact N-O 3.15Å; I41-V73 WeakPolarHBondContact O-CG2 3.26Å; I41-V73 PolarHBondContact O-N 2.9Å; I41-W133 HydrophobicContact CD1-CE3 3.91Å; I41-W133 HydrophobicContact CD1-CZ3 3.76Å; I41-W133 HydrophobicContact CG1-CZ3 4.2Å
42T98.2Very high97.4Very high94 Ų9444.5 Ų44.558%0.57724%0.236SC*.  trans-93.9114.3159.8-59.10000107.5
43A97.7Very high97.3Very high5 Ų547 Ų474%0.04126%0.256CS..  trans-70.2133.4-172.700000111.5L47 L48 W133A43-L47 HydrophobicContact CB-CD2 4.11Å; A43-L48 HydrophobicContact CB-CD1 4.23Å; A43-L48 HydrophobicContact CB-CD2 3.77Å; A43-L48 HydrophobicContact CB-CG 3.83Å; A43-W133 HydrophobicContact CB-CH2 3.82Å; A43-W133 HydrophobicContact CB-CZ3 4.2Å
44S96.3Very high97Very high64 Ų6451.4 Ų51.445%0.44828%0.278SS..  trans-71.9158.4178.270.60000112D46 L47 L48S44-D46 VanDerWaalsContact C-N 3.28Å; S44-D46 PolarHBondContact O-N 2.77Å; S44-L47 PolarHBondContact O-N 3.26Å; S44-L47 VanDerWaalsContact OG-CB 3.31Å; S44-L47 WeakPolarHBondContact OG-CB 3.24Å; S44-L47 PolarHBondContact OG-N 3.47Å; S44-L48 WeakPolarHBondContact O-CG 3.43Å; S44-L48 PolarHBondContact O-N 3.2Å
45D94.1Very high96.7Very high101 Ų10152.9 Ų52.954%0.5428%0.284SS..Hα-helixtrans-56.5-41.3175.9-171.683.3000112.4S49 K65D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 2.82Å; D45-S49 PolarHBondContact O-OG 3.02Å; D45-K65 WeakPolarHBondContact O-CE 3.4Å; D45-K65 PolarHBondContact O-NZ 2.68Å; D45-K65 WeakPolarHBondContact OD1-CE 3.33Å; D45-K65 IonicContact OD1-NZ 3.98Å; D45-K65 PolarHBondContact OD1-NZ 2.74Å; D45-K65 WeakPolarHBondContact OD2-CE 3.47Å; D45-K65 IonicContact OD2-NZ 3.76Å; D45-K65 PolarHBondContact OD2-NZ 3.42Å
46D95.9Very high96.2Very high88 Ų8855.2 Ų55.247%0.47130%0.301SS..Hα-helixtrans-64.7-46.7175.5174.868.2000111.9S44 L48 S49 K50S44-D46 VanDerWaalsContact C-N 3.28Å; S44-D46 PolarHBondContact O-N 2.77Å; D46-L48 PolarHBondContact O-N 2.63Å; D46-S49 PolarHBondContact O-N 2.91Å; D46-K50 VanDerWaalsContact CG-NZ 3.35Å; D46-K50 WeakPolarHBondContact O-CG 3.33Å; D46-K50 PolarHBondContact O-N 3.5Å; D46-K50 WeakPolarHBondContact OD1-CE 3.31Å; D46-K50 IonicContact OD1-NZ 2.8Å; D46-K50 PolarHBondContact OD1-NZ 3.26Å; D46-K50 WeakPolarHBondContact OD2-CE 3.4Å; D46-K50 IonicContact OD2-NZ 2.81Å; D46-K50 PolarHBondContact OD2-NZ 3.31Å
47L97.5Very high95.9Very high23 Ų2358.9 Ų58.912%0.1234%0.339CS..Hα-helixtrans-60-46.7178.6177.560.4000111.2I41 A43 S44 S49 K50 H51 L132 W133I41-L47 HydrophobicContact CD1-CD2 4.04Å; A43-L47 HydrophobicContact CB-CD2 4.11Å; S44-L47 PolarHBondContact O-N 3.26Å; S44-L47 VanDerWaalsContact OG-CB 3.31Å; S44-L47 WeakPolarHBondContact OG-CB 3.24Å; S44-L47 PolarHBondContact OG-N 3.47Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.72Å; L47-K50 PolarHBondContact O-N 3.37Å; L47-H51 WeakPolarHBondContact O-CB 3.47Å; L47-H51 PolarHBondContact O-N 3.36Å; L47-L132 HydrophobicContact CD1-CD1 3.88Å; L47-L132 HydrophobicContact CD1-CD2 4.02Å; L47-L132 HydrophobicContact CD1-CG 3.54Å; L47-W133 HydrophobicContact CD1-CD2 4.43Å; L47-W133 HydrophobicContact CD2-CD2 4.16Å; L47-W133 HydrophobicContact CD2-CE3 3.95Å; L47-W133 HydrophobicContact CD2-CH2 4.21Å; L47-W133 HydrophobicContact CD2-CZ2 4.4Å; L47-W133 HydrophobicContact CD2-CZ3 3.98Å; L47-W133 HydrophobicContact CG-CZ2 4.43Å
48L97.2Very high95.6Very high0 Ų063.3 Ų63.30%036%0.357CS..Hα-helixtrans-66.3-35178.1-67.4175.8000112.3A43 S44 D46 H51 Y52 K65 M68 W133A43-L48 HydrophobicContact CB-CD1 4.23Å; A43-L48 HydrophobicContact CB-CD2 3.77Å; A43-L48 HydrophobicContact CB-CG 3.83Å; S44-L48 WeakPolarHBondContact O-CG 3.43Å; S44-L48 PolarHBondContact O-N 3.2Å; D46-L48 PolarHBondContact O-N 2.63Å; L48-H51 PolarHBondContact O-N 3.47Å; L48-Y52 HydrophobicContact CD2-CE2 4.23Å; L48-Y52 WeakPolarHBondContact O-CB 3.12Å; L48-Y52 WeakPolarHBondContact O-CD2 3.43Å; L48-Y52 PolarHBondContact O-N 2.71Å; L48-K65 HydrophobicContact CB-CG 4.06Å; L48-K65 HydrophobicContact CD1-CG 4.22Å; L48-M68 HydrophobicContact CD1-CB 3.83Å; L48-M68 HydrophobicContact CD2-CB 3.73Å; L48-M68 HydrophobicContact CG-CB 4.44Å; L48-W133 HydrophobicContact CD2-CH2 4.5Å; L48-W133 HydrophobicContact CD2-CZ2 4.46Å
49S95.6Very high95.4Very high33 Ų3369.2 Ų69.223%0.23138%0.381CS..Hα-helixtrans-65.1-42175.7-57.50000112D45 D46 L47 Y52 A53 K65D45-S49 WeakPolarHBondContact O-CB 3.41Å; D45-S49 PolarHBondContact O-N 2.82Å; D45-S49 PolarHBondContact O-OG 3.02Å; D46-S49 PolarHBondContact O-N 2.91Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.72Å; S49-Y52 CarbonylContact O-C 3.58Å; S49-A53 WeakPolarHBondContact O-CA 3.42Å; S49-A53 PolarHBondContact O-N 2.98Å; S49-A53 VanDerWaalsContact O-N 3.12Å; S49-K65 WeakPolarHBondContact OG-CE 3.41Å; S49-K65 PolarHBondContact OG-NZ 3.23Å
50K97Very high95Very high106 Ų10672 Ų7246%0.46139%0.393SS..Hα-helixtrans-68.3-41.4175.7-71.3169.6179.6163.10111.8D46 L47 A53 L132D46-K50 VanDerWaalsContact CG-NZ 3.35Å; D46-K50 WeakPolarHBondContact O-CG 3.33Å; D46-K50 PolarHBondContact O-N 3.5Å; D46-K50 WeakPolarHBondContact OD1-CE 3.31Å; D46-K50 IonicContact OD1-NZ 2.8Å; D46-K50 PolarHBondContact OD1-NZ 3.26Å; D46-K50 WeakPolarHBondContact OD2-CE 3.4Å; D46-K50 IonicContact OD2-NZ 2.81Å; D46-K50 PolarHBondContact OD2-NZ 3.31Å; L47-K50 PolarHBondContact O-N 3.37Å; K50-A53 WeakPolarHBondContact O-CB 3.09Å; K50-A53 PolarHBondContact O-N 3.21Å; K50-L132 HydrophobicContact CB-CD1 3.71Å; K50-L132 HydrophobicContact CB-CD2 3.78Å; K50-L132 HydrophobicContact CB-CG 4.41Å; K50-L132 HydrophobicContact CD-CD1 3.82Å; K50-L132 HydrophobicContact CG-CD1 4.39Å
51H97.3Very high94.7Very high10 Ų1067.7 Ų67.75%0.04637%0.371CS..Hα-helixtrans-65-43.4-179.9179.669.4000111.7L47 L48 H118 E129 L132 W133L47-H51 WeakPolarHBondContact O-CB 3.47Å; L47-H51 PolarHBondContact O-N 3.36Å; L48-H51 PolarHBondContact O-N 3.47Å; H51-H118 AromaticContact CE1-CE1 3.97Å; H51-H118 AromaticContact CE1-NE2 3.59Å; H51-H118 AromaticContact NE2-CE1 3.9Å; H51-H118 AromaticContact NE2-NE2 3.87Å; H51-E129 IonicContact CE1-OE1 3.2Å; H51-E129 IonicContact CE1-OE2 2.88Å; H51-L132 HydrophobicContact CB-CD2 3.75Å; H51-W133 AromaticContact CE1-NE1 3.87Å; H51-W133 AromaticContact CG-NE1 3.61Å; H51-W133 AromaticContact ND1-NE1 3.21Å; H51-W133 PolarHBondContact ND1-NE1 3.05Å
52Y95.2Very high94.6Very high17 Ų1769.7 Ų69.77%0.06739%0.387CS..THydrogen-bonded Turntrans-99.631.9179.2-65.9-56.9000112.7L48 S49 E54 H55 V56 L64 M68L48-Y52 HydrophobicContact CD2-CE2 4.23Å; L48-Y52 WeakPolarHBondContact O-CB 3.12Å; L48-Y52 WeakPolarHBondContact O-CD2 3.43Å; L48-Y52 PolarHBondContact O-N 2.71Å; S49-Y52 CarbonylContact O-C 3.58Å; Y52-E54 PolarHBondContact O-N 2.96Å; Y52-E54 VanDerWaalsContact O-N 3.16Å; Y52-H55 AromaticContact CD1-CD2 3.81Å; Y52-H55 WeakPolarHBondContact O-CA 3.46Å; Y52-H55 WeakPolarHBondContact O-CB 3.4Å; Y52-H55 PolarHBondContact O-N 2.7Å; Y52-V56 PolarHBondContact O-N 2.97Å; Y52-L64 HydrophobicContact CD1-CD2 3.83Å; Y52-L64 HydrophobicContact CD2-CD2 4.01Å; Y52-L64 HydrophobicContact CD2-CG 4.22Å; Y52-L64 HydrophobicContact CE1-CD2 3.89Å; Y52-L64 HydrophobicContact CE2-CD1 4.29Å; Y52-L64 HydrophobicContact CE2-CD2 4.04Å; Y52-L64 HydrophobicContact CE2-CG 3.98Å; Y52-L64 HydrophobicContact CG-CD2 3.91Å; Y52-M68 HydrophobicContact CE2-CG 3.93Å
53A94.9Very high94.4Very high59 Ų5968.5 Ų68.549%0.48839%0.386SS..G310 helixtrans-53.8-38.2-178.100000112.3S49 K50 H55 V56S49-A53 WeakPolarHBondContact O-CA 3.42Å; S49-A53 PolarHBondContact O-N 2.98Å; S49-A53 VanDerWaalsContact O-N 3.12Å; K50-A53 WeakPolarHBondContact O-CB 3.09Å; K50-A53 PolarHBondContact O-N 3.21Å; A53-H55 PolarHBondContact O-N 3Å; A53-H55 VanDerWaalsContact O-N 3.12Å; A53-V56 WeakPolarHBondContact O-CB 3.31Å; A53-V56 WeakPolarHBondContact O-CG2 2.95Å; A53-V56 PolarHBondContact O-N 2.79Å
54E91.5Very high94.2Very high113 Ų11369.8 Ų69.853%0.52839%0.392SS..G310 helixtrans-69.1-5.8177.4-59.3176.8-157.800114.4Y52 K58 R128Y52-E54 PolarHBondContact O-N 2.96Å; Y52-E54 VanDerWaalsContact O-N 3.16Å; E54-K58 WeakPolarHBondContact O-CE 3.48Å; E54-R128 IonicContact OE1-CZ 2.86Å; E54-R128 IonicContact OE1-NH1 3.7Å; E54-R128 PolarHBondContact OE1-NH1 2.97Å; E54-R128 IonicContact OE1-NH2 3.22Å
55H91.5Very high94.2Very high51 Ų5168.1 Ų68.124%0.23638%0.377CS..G310 helixtrans-112.4-4.1179.2-60.4-9.3000112.5Y52 A53 G57 K58 F60 F61Y52-H55 AromaticContact CD1-CD2 3.81Å; Y52-H55 WeakPolarHBondContact O-CA 3.46Å; Y52-H55 WeakPolarHBondContact O-CB 3.4Å; Y52-H55 PolarHBondContact O-N 2.7Å; A53-H55 PolarHBondContact O-N 3Å; A53-H55 VanDerWaalsContact O-N 3.12Å; H55-G57 PolarHBondContact O-N 2.96Å; H55-K58 HydrophobicContact CB-CD 4.34Å; H55-K58 VanDerWaalsContact O-CB 3.3Å; H55-K58 WeakPolarHBondContact O-CB 3.43Å; H55-K58 WeakPolarHBondContact O-CG 3.28Å; H55-K58 PolarHBondContact O-N 3.16Å; H55-F60 HydrophobicContact CB-CE2 4.2Å; H55-F61 HydrophobicContact CB-CD2 3.81Å; H55-F61 VanDerWaalsContact O-CB 3.28Å; H55-F61 WeakPolarHBondContact O-CB 3.46Å
56V89.2Confident94.3Very high94 Ų9466.1 Ų66.157%0.5738%0.375SS*.THydrogen-bonded Turntrans-55.9130.8174.7176.80000109.5Y52 A53 K58 F61Y52-V56 PolarHBondContact O-N 2.97Å; A53-V56 WeakPolarHBondContact O-CB 3.31Å; A53-V56 WeakPolarHBondContact O-CG2 2.95Å; A53-V56 PolarHBondContact O-N 2.79Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.76Å; V56-F61 HydrophobicContact CG2-CE1 4.24Å; V56-F61 HydrophobicContact CG2-CE2 4.12Å; V56-F61 HydrophobicContact CG2-CZ 3.82Å
57G90.8Very high94.3Very high80 Ų8063 Ų6383%0.82536%0.356SS*.THydrogen-bonded Turntrans86.1-12.1-17600000115.3H55H55-G57 PolarHBondContact O-N 2.96Å
58K93.7Very high94.3Very high98 Ų9861.9 Ų61.943%0.42635%0.351SS..  trans-74.5141.3173.5-60.7-172.8-176.9177.90110.4E54 H55 V56 F60 F61E54-K58 WeakPolarHBondContact O-CE 3.48Å; H55-K58 HydrophobicContact CB-CD 4.34Å; H55-K58 VanDerWaalsContact O-CB 3.3Å; H55-K58 WeakPolarHBondContact O-CB 3.43Å; H55-K58 WeakPolarHBondContact O-CG 3.28Å; H55-K58 PolarHBondContact O-N 3.16Å; V56-K58 VanDerWaalsContact C-N 3.33Å; V56-K58 PolarHBondContact O-N 2.76Å; K58-F60 HydrophobicContact CB-CD1 4.09Å; K58-F60 HydrophobicContact CB-CE1 3.7Å; K58-F60 HydrophobicContact CB-CE2 4.38Å; K58-F60 HydrophobicContact CB-CZ 3.87Å; K58-F60 HydrophobicContact CD-CE1 3.68Å; K58-F60 HydrophobicContact CD-CE2 4.4Å; K58-F60 HydrophobicContact CD-CZ 3.43Å; K58-F60 VanDerWaalsContact CD-CZ 3.43Å; K58-F60 HydrophobicContact CG-CE1 4.27Å; K58-F60 HydrophobicContact CG-CZ 4.27Å; K58-F60 PolarHBondContact O-N 2.95Å; K58-F61 VanDerWaalsContact O-CB 3.25Å; K58-F61 WeakPolarHBondContact O-CB 3.48Å; K58-F61 PolarHBondContact O-N 2.74Å
59K94Very high94.3Very high212 Ų21264.2 Ų64.292%0.92237%0.367SS*.THydrogen-bonded Turntrans-53.4-33.3-176.2-68.6-173.9178.6-177.20114.3
60F90.5Very high94.4Very high106 Ų10666.7 Ų66.747%0.46538%0.384SS..THydrogen-bonded Turntrans-84.8-10.5-178.560.6-100.2000114H55 K58 A63 L64H55-F60 HydrophobicContact CB-CE2 4.2Å; K58-F60 HydrophobicContact CB-CD1 4.09Å; K58-F60 HydrophobicContact CB-CE1 3.7Å; K58-F60 HydrophobicContact CB-CE2 4.38Å; K58-F60 HydrophobicContact CB-CZ 3.87Å; K58-F60 HydrophobicContact CD-CE1 3.68Å; K58-F60 HydrophobicContact CD-CE2 4.4Å; K58-F60 HydrophobicContact CD-CZ 3.43Å; K58-F60 VanDerWaalsContact CD-CZ 3.43Å; K58-F60 HydrophobicContact CG-CE1 4.27Å; K58-F60 HydrophobicContact CG-CZ 4.27Å; K58-F60 PolarHBondContact O-N 2.95Å; F60-A63 PolarHBondContact O-N 2.97Å; F60-L64 HydrophobicContact CE2-CD2 4.45Å; F60-L64 PolarHBondContact O-N 2.81Å
61F92.9Very high94.5Very high23 Ų2362 Ų6210%0.10137%0.366CS..Hα-helixtrans-60.7-44.2-173.2175.3-101.9000113.9H55 V56 K58 A63 L64 K65H55-F61 HydrophobicContact CB-CD2 3.81Å; H55-F61 VanDerWaalsContact O-CB 3.28Å; H55-F61 WeakPolarHBondContact O-CB 3.46Å; V56-F61 HydrophobicContact CG2-CE1 4.24Å; V56-F61 HydrophobicContact CG2-CE2 4.12Å; V56-F61 HydrophobicContact CG2-CZ 3.82Å; K58-F61 VanDerWaalsContact O-CB 3.25Å; K58-F61 WeakPolarHBondContact O-CB 3.48Å; K58-F61 PolarHBondContact O-N 2.74Å; F61-A63 VanDerWaalsContact C-N 3.31Å; F61-A63 PolarHBondContact O-N 3.46Å; F61-L64 PolarHBondContact O-N 3.1Å; F61-K65 HydrophobicContact CE1-CD 4.25Å; F61-K65 HydrophobicContact CZ-CD 4.22Å; F61-K65 WeakPolarHBondContact O-CB 3.48Å; F61-K65 PolarHBondContact O-N 3Å
62P94.8Very high94.5Very high87 Ų8763.3 Ų63.357%0.56538%0.375SS*.Hα-helixtrans-58.6-42.8176.4-2535.4000112.6K65 A66P62-K65 PolarHBondContact O-N 3.44Å; P62-A66 WeakPolarHBondContact O-CB 3.1Å; P62-A66 PolarHBondContact O-N 2.97Å
63A94.6Very high94.7Very high68 Ų6862.5 Ų62.556%0.56237%0.372SS*.Hα-helixtrans-68.2-39.6178.200000112.2F60 F61 K65 Y67F60-A63 PolarHBondContact O-N 2.97Å; F61-A63 VanDerWaalsContact C-N 3.31Å; F61-A63 PolarHBondContact O-N 3.46Å; A63-K65 VanDerWaalsContact C-N 3.35Å; A63-Y67 WeakPolarHBondContact O-CB 3.3Å; A63-Y67 PolarHBondContact O-N 2.86Å
64L94.3Very high94.9Very high32 Ų3259.7 Ų59.717%0.16835%0.349CS..Hα-helixtrans-61.2-44.6174.9173.761.1000111.3Y52 F60 F61 Y67 M68Y52-L64 HydrophobicContact CD1-CD2 3.83Å; Y52-L64 HydrophobicContact CD2-CD2 4.01Å; Y52-L64 HydrophobicContact CD2-CG 4.22Å; Y52-L64 HydrophobicContact CE1-CD2 3.89Å; Y52-L64 HydrophobicContact CE2-CD1 4.29Å; Y52-L64 HydrophobicContact CE2-CD2 4.04Å; Y52-L64 HydrophobicContact CE2-CG 3.98Å; Y52-L64 HydrophobicContact CG-CD2 3.91Å; F60-L64 HydrophobicContact CE2-CD2 4.45Å; F60-L64 PolarHBondContact O-N 2.81Å; F61-L64 PolarHBondContact O-N 3.1Å; L64-Y67 HydrophobicContact CD1-CD1 4.48Å; L64-Y67 WeakPolarHBondContact O-CB 3.47Å; L64-Y67 PolarHBondContact O-N 3.12Å; L64-M68 HydrophobicContact CD1-CG 4.12Å; L64-M68 WeakPolarHBondContact O-CB 3.3Å; L64-M68 WeakPolarHBondContact O-CG 3.49Å; L64-M68 PolarHBondContact O-N 2.8Å
65K95.2Very high95.2Very high30 Ų3054.3 Ų54.313%0.1332%0.324CS..Hα-helixtrans-66.4-48.3-179.9-165179.8-174.9-166.60111.4D45 L48 S49 F61 P62 A63 Y67 M68 S69D45-K65 WeakPolarHBondContact O-CE 3.4Å; D45-K65 PolarHBondContact O-NZ 2.68Å; D45-K65 WeakPolarHBondContact OD1-CE 3.33Å; D45-K65 IonicContact OD1-NZ 3.98Å; D45-K65 PolarHBondContact OD1-NZ 2.74Å; D45-K65 WeakPolarHBondContact OD2-CE 3.47Å; D45-K65 IonicContact OD2-NZ 3.76Å; D45-K65 PolarHBondContact OD2-NZ 3.42Å; L48-K65 HydrophobicContact CB-CG 4.06Å; L48-K65 HydrophobicContact CD1-CG 4.22Å; S49-K65 WeakPolarHBondContact OG-CE 3.41Å; S49-K65 PolarHBondContact OG-NZ 3.23Å; F61-K65 HydrophobicContact CE1-CD 4.25Å; F61-K65 HydrophobicContact CZ-CD 4.22Å; F61-K65 WeakPolarHBondContact O-CB 3.48Å; F61-K65 PolarHBondContact O-N 3Å; P62-K65 PolarHBondContact O-N 3.44Å; A63-K65 VanDerWaalsContact C-N 3.35Å; K65-Y67 VanDerWaalsContact C-N 3.26Å; K65-Y67 PolarHBondContact O-N 3.16Å; K65-M68 PolarHBondContact O-N 3.43Å; K65-S69 PolarHBondContact O-N 3.4Å; K65-S69 PolarHBondContact O-OG 3.06Å
66A96Very high95.6Very high59 Ų5951.9 Ų51.949%0.48831%0.312SS..Hα-helixtrans-59.4-38.1175.100000112.2P62 S69 S70P62-A66 WeakPolarHBondContact O-CB 3.1Å; P62-A66 PolarHBondContact O-N 2.97Å; A66-S69 PolarHBondContact O-OG 3.38Å; A66-S70 WeakPolarHBondContact O-CB 3.36Å; A66-S70 PolarHBondContact O-N 3Å; A66-S70 VanDerWaalsContact O-N 3.14Å
67Y97.3Very high96.1Very high21 Ų2147.4 Ų47.48%0.08229%0.285CS..Hα-helixtrans-64.2-50.4174.2165.3-119000111.8K12 D14 A63 L64 K65 S69 S70K12-Y67 HydrophobicContact CD-CE1 4.09Å; D14-Y67 HydrophobicContact CB-CE2 4.47Å; D14-Y67 WeakPolarHBondContact CB-OH 3.43Å; D14-Y67 PolarHBondContact OD1-OH 3.47Å; D14-Y67 PolarHBondContact OD2-OH 3.22Å; A63-Y67 WeakPolarHBondContact O-CB 3.3Å; A63-Y67 PolarHBondContact O-N 2.86Å; L64-Y67 HydrophobicContact CD1-CD1 4.48Å; L64-Y67 WeakPolarHBondContact O-CB 3.47Å; L64-Y67 PolarHBondContact O-N 3.12Å; K65-Y67 VanDerWaalsContact C-N 3.26Å; K65-Y67 PolarHBondContact O-N 3.16Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.24Å; Y67-S70 WeakPolarHBondContact O-CB 3.27Å; Y67-S70 PolarHBondContact O-N 2.82Å; Y67-S70 VanDerWaalsContact O-N 3.11Å; Y67-S70 PolarHBondContact O-OG 2.88Å
68M98Very high96.5Very high1 Ų143.6 Ų43.61%0.00525%0.246CC..Hα-helixtrans-68.9-24.2-177.1-73.2-66-62.700113.5K12 L48 Y52 L64 K65 V73K12-M68 HydrophobicContact CB-SD 4.11Å; K12-M68 HydrophobicContact CD-SD 3.92Å; K12-M68 HydrophobicContact CG-CE 4.22Å; K12-M68 HydrophobicContact CG-SD 3.8Å; L48-M68 HydrophobicContact CD1-CB 3.83Å; L48-M68 HydrophobicContact CD2-CB 3.73Å; L48-M68 HydrophobicContact CG-CB 4.44Å; Y52-M68 HydrophobicContact CE2-CG 3.93Å; L64-M68 HydrophobicContact CD1-CG 4.12Å; L64-M68 WeakPolarHBondContact O-CB 3.3Å; L64-M68 WeakPolarHBondContact O-CG 3.49Å; L64-M68 PolarHBondContact O-N 2.8Å; K65-M68 PolarHBondContact O-N 3.43Å; M68-V73 HydrophobicContact CE-CG1 3.97Å
69S96.6Very high96.7Very high49 Ų4939.1 Ų39.134%0.34323%0.227SC..THydrogen-bonded Turntrans-90.3-3.9172.862.10000114.2K65 A66 Y67 G71K65-S69 PolarHBondContact O-N 3.4Å; K65-S69 PolarHBondContact O-OG 3.06Å; A66-S69 PolarHBondContact O-OG 3.38Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.24Å; S69-G71 PolarHBondContact O-N 3.2Å
70S97.6Very high96.9Very high84 Ų8429 Ų2959%0.58718%0.183SC*.SBendtrans-70.5-10-177.368.60000114.7A66 Y67A66-S70 WeakPolarHBondContact O-CB 3.36Å; A66-S70 PolarHBondContact O-N 3Å; A66-S70 VanDerWaalsContact O-N 3.14Å; Y67-S70 WeakPolarHBondContact O-CB 3.27Å; Y67-S70 PolarHBondContact O-N 2.82Å; Y67-S70 VanDerWaalsContact O-N 3.11Å; Y67-S70 PolarHBondContact O-OG 2.88Å
71G98Very high97.2Very high8 Ų827.6 Ų27.68%0.08218%0.175CC..SBendtrans-172.9-178.5-179.800000112.5S69S69-G71 PolarHBondContact O-N 3.2Å
72P98.7Very high97.4Very high37 Ų3730 Ų3024%0.2419%0.188CC..  trans-67149.1178.828.8-35.4000111.5P13 V16 M40 I41P13-P72 WeakPolarHBondContact CA-O 3.42Å; V16-P72 HydrophobicContact CB-CG 4.42Å; V16-P72 HydrophobicContact CG1-CG 3.86Å; V16-P72 WeakPolarHBondContact CG2-O 3.43Å; M40-P72 HydrophobicContact CG-CB 3.94Å; M40-P72 HydrophobicContact SD-CB 4.2Å; I41-P72 CarbonylContact O-C 3.57Å; I41-P72 WeakPolarHBondContact O-CA 3.31Å
73V98.8Very high97.6Very high0 Ų025.8 Ų25.80%016%0.161CC..EExtended strand (participates in β ladder)trans-118154.3167.8-60.80000109.5V11 P13 M40 I41 M68 W133V11-V73 VanDerWaalsContact O-CA 3.26Å; V11-V73 WeakPolarHBondContact O-CA 3.16Å; V11-V73 VanDerWaalsContact O-CB 3.28Å; V11-V73 WeakPolarHBondContact O-CB 3.26Å; P13-V73 HydrophobicContact CG-CG1 3.9Å; M40-V73 VanDerWaalsContact CA-O 3.3Å; M40-V73 WeakPolarHBondContact CA-O 3.4Å; I41-V73 HydrophobicContact CG1-CG2 4.01Å; I41-V73 PolarHBondContact N-O 3.15Å; I41-V73 WeakPolarHBondContact O-CG2 3.26Å; I41-V73 PolarHBondContact O-N 2.9Å; M68-V73 HydrophobicContact CE-CG1 3.97Å; V73-W133 HydrophobicContact CG2-CH2 3.98Å; V73-W133 HydrophobicContact CG2-CZ3 3.69Å
74V98.9Very high97.8Very high0 Ų022.9 Ų22.90%014%0.136CC..EExtended strand (participates in β ladder)trans-107102.5169.3178.50000108.1A10 V11 V16 V21 M38 K39 M40 M76A10-V74 CarbonylContact C-O 3.24Å; A10-V74 VanDerWaalsContact CA-O 3.27Å; A10-V74 WeakPolarHBondContact CA-O 3.36Å; V11-V74 HydrophobicContact CB-CB 4.05Å; V11-V74 HydrophobicContact CG2-CB 4.19Å; V11-V74 PolarHBondContact N-O 2.88Å; V11-V74 PolarHBondContact O-N 3.26Å; V16-V74 HydrophobicContact CG2-CG2 4.07Å; V21-V74 HydrophobicContact CG1-CB 4.36Å; V21-V74 HydrophobicContact CG1-CG1 4.22Å; V21-V74 HydrophobicContact CG1-CG2 3.94Å; V21-V74 HydrophobicContact CG2-CG2 3.85Å; M38-V74 HydrophobicContact CE-CG1 3.7Å; M38-V74 HydrophobicContact CG-CG1 4.03Å; M38-V74 HydrophobicContact SD-CG1 4.35Å; K39-V74 WeakPolarHBondContact O-CA 3.49Å; M40-V74 HydrophobicContact CB-CG2 4.35Å; M40-V74 HydrophobicContact CE-CG2 3.6Å; M40-V74 HydrophobicContact CG-CG2 4.31Å; V74-M76 HydrophobicContact CG1-CE 4.48Å; V74-M76 HydrophobicContact CG1-CG 4.07Å; V74-M76 HydrophobicContact CG1-SD 4.26Å
75A98.9Very high98Very high0 Ų029.4 Ų29.40%016%0.163CC..EExtended strand (participates in β ladder)trans-82.8137.6174.900000109.5F8 M38 K39 W133 F134F8-A75 HydrophobicContact CE2-CB 3.89Å; F8-A75 HydrophobicContact CZ-CB 4.25Å; M38-A75 CarbonylContact C-O 3.57Å; M38-A75 VanDerWaalsContact CA-O 3.3Å; M38-A75 WeakPolarHBondContact CA-O 3.37Å; K39-A75 HydrophobicContact CG-CB 4.27Å; K39-A75 PolarHBondContact N-O 2.91Å; K39-A75 PolarHBondContact O-N 3.47Å; A75-W133 HydrophobicContact CB-CE3 3.76Å; A75-W133 HydrophobicContact CB-CZ3 4.2Å; A75-F134 HydrophobicContact CB-CE2 3.89Å; A75-F134 HydrophobicContact CB-CZ 3.8Å
76M98.9Very high98.1Very high0 Ų029 Ų290%017%0.166CC..EExtended strand (participates in β ladder)trans-142.4151.3-178.3-63.8168.1-7200111.1I9 V11 V24 L25 L35 A37 M38 V74 W78I9-M76 HydrophobicContact CB-CB 4.5Å; I9-M76 HydrophobicContact CB-CE 4.19Å; I9-M76 HydrophobicContact CG2-CE 3.73Å; I9-M76 PolarHBondContact N-O 2.74Å; I9-M76 PolarHBondContact O-N 3.17Å; V11-M76 HydrophobicContact CG2-CE 3.71Å; V24-M76 HydrophobicContact CG1-CE 3.95Å; L25-M76 HydrophobicContact CD2-SD 3.6Å; L25-M76 VanDerWaalsContact CD2-SD 3.6Å; L25-M76 HydrophobicContact CG-SD 4.16Å; L35-M76 HydrophobicContact CD1-CB 4.22Å; L35-M76 HydrophobicContact CD1-CG 4.37Å; A37-M76 CarbonylContact O-C 3.58Å; A37-M76 VanDerWaalsContact O-CA 3.28Å; A37-M76 WeakPolarHBondContact O-CA 3.48Å; M38-M76 HydrophobicContact CB-CG 4.21Å; M38-M76 HydrophobicContact CG-CG 3.96Å; M38-M76 HydrophobicContact SD-CG 4.46Å; V74-M76 HydrophobicContact CG1-CE 4.48Å; V74-M76 HydrophobicContact CG1-CG 4.07Å; V74-M76 HydrophobicContact CG1-SD 4.26Å; M76-W78 HydrophobicContact SD-CZ2 4.32Å
77V98.9Very high98.2Very high0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-120.5124.1167.5-174.20000108.4R6 T7 V36 A37 I130 F134 I139R6-V77 HydrophobicContact CB-CG1 4.09Å; R6-V77 HydrophobicContact CG-CG1 4.35Å; T7-V77 WeakPolarHBondContact O-CA 3.38Å; V36-V77 HydrophobicContact CG2-CB 3.77Å; V36-V77 HydrophobicContact CG2-CG1 3.49Å; V36-V77 VanDerWaalsContact CG2-CG1 3.49Å; V36-V77 WeakPolarHBondContact CG2-O 3.2Å; V36-V77 PolarHBondContact N-O 3.05Å; A37-V77 HydrophobicContact CB-CB 4.02Å; A37-V77 HydrophobicContact CB-CG2 3.98Å; A37-V77 PolarHBondContact N-O 2.83Å; A37-V77 PolarHBondContact O-N 2.93Å; V77-I130 HydrophobicContact CG1-CD1 3.73Å; V77-I130 HydrophobicContact CG1-CG1 3.99Å; V77-I130 HydrophobicContact CG1-CG2 4.46Å; V77-I130 HydrophobicContact CG2-CG1 4.01Å; V77-I130 HydrophobicContact CG2-CG2 4.13Å; V77-F134 HydrophobicContact CG2-CD2 3.53Å; V77-F134 HydrophobicContact CG2-CE2 3.6Å; V77-F134 HydrophobicContact CG2-CG 4.2Å; V77-F134 HydrophobicContact CG2-CZ 4.31Å; V77-I139 HydrophobicContact CB-CD1 4.42Å; V77-I139 HydrophobicContact CG2-CD1 3.93Å
78W98.9Very high98.3Very high1 Ų128.8 Ų28.80%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-114.2147.5177.5-66.989.4000110.3R6 T7 L25 F28 E29 Y33 K34 L35 M76 I83R6-W78 CarbonylContact C-O 3.55Å; R6-W78 WeakPolarHBondContact CA-O 3.36Å; T7-W78 HydrophobicContact CG2-CB 4.27Å; T7-W78 PolarHBondContact N-O 2.9Å; T7-W78 PolarHBondContact O-N 3.44Å; T7-W78 VanDerWaalsContact O-N 3.1Å; L25-W78 HydrophobicContact CD2-CH2 4.32Å; L25-W78 HydrophobicContact CD2-CZ2 3.8Å; F28-W78 HydrophobicContact CB-CD2 3.73Å; F28-W78 HydrophobicContact CB-CE3 3.77Å; F28-W78 HydrophobicContact CB-CH2 3.5Å; F28-W78 HydrophobicContact CB-CZ2 3.42Å; F28-W78 VanDerWaalsContact CB-CZ2 3.42Å; F28-W78 HydrophobicContact CB-CZ3 3.66Å; F28-W78 HydrophobicContact CD1-CB 4.32Å; F28-W78 AromaticContact CD1-CD2 3.86Å; F28-W78 HydrophobicContact CD1-CD2 3.86Å; F28-W78 HydrophobicContact CD1-CE3 4.39Å; F28-W78 AromaticContact CD1-CG 3.82Å; F28-W78 HydrophobicContact CD1-CG 3.82Å; F28-W78 HydrophobicContact CE1-CG 4.37Å; F28-W78 HydrophobicContact CG-CD2 4.02Å; F28-W78 AromaticContact CG-CE2 3.83Å; F28-W78 HydrophobicContact CG-CE3 4.47Å; F28-W78 HydrophobicContact CG-CG 4.37Å; F28-W78 HydrophobicContact CG-CZ2 4.14Å; E29-W78 HydrophobicContact CG-CH2 3.66Å; E29-W78 HydrophobicContact CG-CZ3 4.11Å; Y33-W78 WeakPolarHBondContact O-CZ3 3.25Å; K34-W78 CarbonylContact O-C 3.55Å; K34-W78 WeakPolarHBondContact O-CA 3.28Å; L35-W78 HydrophobicContact CB-CE3 4.01Å; L35-W78 HydrophobicContact CB-CH2 3.92Å; L35-W78 HydrophobicContact CB-CZ2 4.45Å; L35-W78 HydrophobicContact CB-CZ3 3.69Å; L35-W78 HydrophobicContact CD1-CD2 4.06Å; L35-W78 HydrophobicContact CD1-CE3 4.4Å; L35-W78 HydrophobicContact CD1-CH2 4.17Å; L35-W78 HydrophobicContact CD1-CZ2 3.84Å; L35-W78 HydrophobicContact CD1-CZ3 4.46Å; L35-W78 HydrophobicContact CG-CH2 4.47Å; M76-W78 HydrophobicContact SD-CZ2 4.32Å; W78-I83 HydrophobicContact CB-CD1 3.37Å
79E98.7Very high98.3Very high3 Ų332 Ų321%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-126.2141.2-177.1-168.9-178.795.100111.6I3 E5 R6 K34 V36I3-E79 WeakPolarHBondContact O-CG 3.5Å; E5-E79 CarbonylContact O-C 3.54Å; E5-E79 VanDerWaalsContact O-CA 3.24Å; E5-E79 WeakPolarHBondContact O-CA 3.05Å; E5-E79 WeakPolarHBondContact O-CG 3.42Å; R6-E79 HydrophobicContact CG-CB 3.97Å; R6-E79 HydrophobicContact CG-CG 3.84Å; R6-E79 IonicContact CZ-OE2 2.73Å; R6-E79 IonicContact NE-OE2 2.78Å; R6-E79 PolarHBondContact NE-OE2 3.35Å; R6-E79 IonicContact NH2-OE2 2.61Å; R6-E79 PolarHBondContact NH2-OE2 3.47Å; K34-E79 HydrophobicContact CB-CB 4.37Å; K34-E79 WeakPolarHBondContact CE-OE1 3.04Å; K34-E79 PolarHBondContact N-O 3.38Å; K34-E79 IonicContact NZ-OE1 3.82Å; K34-E79 PolarHBondContact NZ-OE1 3.32Å; K34-E79 PolarHBondContact O-N 2.95Å; V36-E79 HydrophobicContact CG1-CB 3.94Å; V36-E79 HydrophobicContact CG2-CB 4.47Å
80G97.8Very high98.4Very high1 Ų131.3 Ų31.31%0.0117%0.171CC..SBendtrans161.1171.817300000113.9I3 E5 D82 I83 Y151I3-G80 VanDerWaalsContact O-CA 3.27Å; I3-G80 WeakPolarHBondContact O-CA 3.38Å; I3-G80 PolarHBondContact O-N 2.99Å; E5-G80 PolarHBondContact O-N 3.2Å; G80-D82 PolarHBondContact O-N 3.22Å; G80-I83 WeakPolarHBondContact O-CB 3.3Å; G80-I83 WeakPolarHBondContact O-CG2 3.46Å; G80-I83 PolarHBondContact O-N 3.45Å; G80-Y151 WeakPolarHBondContact CA-OH 2.89Å
81R97.1Very high98.5Very high76 Ų7627.3 Ų27.329%0.28714%0.143SC..THydrogen-bonded Turntrans-58.7127178.6-172.2-178.2-65.4167.50.9111.6M1 I3 I83 Y151 E152M1-R81 HydrophobicContact CB-CG 4.32Å; I3-R81 HydrophobicContact CG2-CB 4.37Å; R81-I83 PolarHBondContact O-N 2.87Å; R81-I83 VanDerWaalsContact O-N 3.07Å; R81-Y151 HydrophobicContact CB-CD1 4.4Å; R81-Y151 HydrophobicContact CB-CE1 3.95Å; R81-E152 PolarHBondContact NH2-O 2.7Å
82D97.6Very high98.5Very high72 Ų7227.4 Ų27.439%0.38514%0.144SC..THydrogen-bonded Turntrans49.529.5179.1-54.7-48.1000114.2E5 G80 V84 K85 A86E5-D82 WeakPolarHBondContact OE1-CA 3.34Å; G80-D82 PolarHBondContact O-N 3.22Å; D82-V84 VanDerWaalsContact C-N 3.3Å; D82-V84 PolarHBondContact O-N 2.89Å; D82-K85 PolarHBondContact O-N 3.36Å; D82-A86 WeakPolarHBondContact O-CB 3.33Å; D82-A86 PolarHBondContact O-N 2.92Å
83I98.6Very high98.5Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-63.3-32.7-170.7-166.8172.2000113E5 T7 Y33 W78 G80 R81 K85 A86 A87E5-I83 HydrophobicContact CB-CG2 4.37Å; E5-I83 HydrophobicContact CG-CG2 4.07Å; E5-I83 WeakPolarHBondContact O-CG2 3.46Å; E5-I83 PolarHBondContact OE1-N 3.29Å; T7-I83 HydrophobicContact CG2-CD1 4.03Å; T7-I83 HydrophobicContact CG2-CG1 3.84Å; T7-I83 HydrophobicContact CG2-CG2 4.08Å; Y33-I83 HydrophobicContact CD1-CB 4.05Å; Y33-I83 HydrophobicContact CD1-CD1 3.35Å; Y33-I83 HydrophobicContact CD1-CG1 3.58Å; Y33-I83 HydrophobicContact CD2-CD1 3.98Å; Y33-I83 HydrophobicContact CD2-CG1 4.06Å; Y33-I83 HydrophobicContact CE1-CB 3.83Å; Y33-I83 HydrophobicContact CE1-CD1 3.98Å; Y33-I83 HydrophobicContact CE1-CG1 3.65Å; Y33-I83 HydrophobicContact CE2-CG1 4.11Å; Y33-I83 HydrophobicContact CG-CD1 3.37Å; Y33-I83 HydrophobicContact CG-CG1 3.82Å; W78-I83 HydrophobicContact CB-CD1 3.37Å; G80-I83 WeakPolarHBondContact O-CB 3.3Å; G80-I83 WeakPolarHBondContact O-CG2 3.46Å; G80-I83 PolarHBondContact O-N 3.45Å; R81-I83 PolarHBondContact O-N 2.87Å; R81-I83 VanDerWaalsContact O-N 3.07Å; I83-K85 PolarHBondContact O-N 2.86Å; I83-A86 PolarHBondContact O-N 3.42Å; I83-A87 WeakPolarHBondContact O-CA 3.01Å; I83-A87 WeakPolarHBondContact O-CB 3.28Å; I83-A87 PolarHBondContact O-N 3.47Å
84V98.7Very high98.3Very high6 Ų630.6 Ų30.64%0.03617%0.166CC..Hα-helixtrans-59.9-50.7177.6174.70000109.7E5 R6 D82 R88 V123 A126E5-V84 HydrophobicContact CG-CG2 4.22Å; E5-V84 PolarHBondContact OE1-N 3.12Å; R6-V84 WeakPolarHBondContact O-CG2 3.18Å; D82-V84 VanDerWaalsContact C-N 3.3Å; D82-V84 PolarHBondContact O-N 2.89Å; V84-R88 VanDerWaalsContact O-CG 3.31Å; V84-R88 WeakPolarHBondContact O-CG 3.33Å; V84-R88 PolarHBondContact O-N 3.37Å; V84-V123 HydrophobicContact CG2-CG2 4.15Å; V84-A126 HydrophobicContact CG2-CB 3.96Å
85K98.3Very high98.2Very high169 Ų16935.7 Ų35.774%0.73519%0.189SC*.Hα-helixtrans-65-45.2179.1-177.2178.9178.2-179.10111.5D82 I83 R88 A89D82-K85 PolarHBondContact O-N 3.36Å; I83-K85 PolarHBondContact O-N 2.86Å; K85-R88 PolarHBondContact O-N 3.25Å; K85-A89 PolarHBondContact O-N 3.32Å
86A98.3Very high98.1Very high22 Ų2236 Ų3618%0.18219%0.19CC..Hα-helixtrans-69.1-38.8-177.500000112.7Y33 D82 I83 R88 A89 M90Y33-A86 HydrophobicContact CE2-CB 4.35Å; Y33-A86 WeakPolarHBondContact OH-CB 3.23Å; D82-A86 WeakPolarHBondContact O-CB 3.33Å; D82-A86 PolarHBondContact O-N 2.92Å; I83-A86 PolarHBondContact O-N 3.42Å; A86-R88 PolarHBondContact O-N 2.93Å; A86-A89 WeakPolarHBondContact O-CB 3.28Å; A86-A89 PolarHBondContact O-N 3.45Å; A86-A89 VanDerWaalsContact O-N 3.17Å; A86-M90 WeakPolarHBondContact O-CG 3.38Å; A86-M90 PolarHBondContact O-N 3.41Å
87A98.7Very high98Very high0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-59.8-46.6174.300000110.8T7 I9 F28 I83 A89 M90 L91T7-A87 HydrophobicContact CG2-CB 4.09Å; I9-A87 HydrophobicContact CD1-CB 3.9Å; F28-A87 HydrophobicContact CE1-CB 3.71Å; F28-A87 HydrophobicContact CZ-CB 3.84Å; I83-A87 WeakPolarHBondContact O-CA 3.01Å; I83-A87 WeakPolarHBondContact O-CB 3.28Å; I83-A87 PolarHBondContact O-N 3.47Å; A87-A89 VanDerWaalsContact C-N 3.26Å; A87-A89 PolarHBondContact O-N 3.08Å; A87-M90 PolarHBondContact O-N 2.93Å; A87-M90 VanDerWaalsContact O-N 3.09Å; A87-L91 WeakPolarHBondContact O-CB 3.34Å; A87-L91 WeakPolarHBondContact O-CD1 3.36Å; A87-L91 PolarHBondContact O-N 2.79Å
88R98.6Very high98Very high75 Ų7549.8 Ų49.828%0.28326%0.259SS..Hα-helixtrans-54.7-41.9174.5-73.7-67.2-52.41734.5112.2V84 K85 A86 G92 S120V84-R88 VanDerWaalsContact O-CG 3.31Å; V84-R88 WeakPolarHBondContact O-CG 3.33Å; V84-R88 PolarHBondContact O-N 3.37Å; K85-R88 PolarHBondContact O-N 3.25Å; A86-R88 PolarHBondContact O-N 2.93Å; R88-G92 PolarHBondContact O-N 2.98Å; R88-S120 WeakPolarHBondContact CD-O 3.48Å; R88-S120 WeakPolarHBondContact CG-O 3.45Å
89A98.5Very high98Very high70 Ų7050.3 Ų50.358%0.57926%0.263SS*.Hα-helixtrans-66.2-42.9175.500000112.6K85 A86 A87 L91 G92K85-A89 PolarHBondContact O-N 3.32Å; A86-A89 WeakPolarHBondContact O-CB 3.28Å; A86-A89 PolarHBondContact O-N 3.45Å; A86-A89 VanDerWaalsContact O-N 3.17Å; A87-A89 VanDerWaalsContact C-N 3.26Å; A87-A89 PolarHBondContact O-N 3.08Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 2.7Å; A89-G92 PolarHBondContact O-N 2.97Å
90M98.6Very high97.9Very high33 Ų3353 Ų5316%0.16329%0.286CS..Hα-helixtrans-64.8-35.5177.5-70.8171.359.200113.1R27 F28 R31 Y33 A86 A87 T103 L104R27-M90 HydrophobicContact CB-CE 4.03Å; R27-M90 WeakPolarHBondContact O-CE 2.85Å; F28-M90 HydrophobicContact CD1-CE 4.37Å; F28-M90 HydrophobicContact CD2-CE 4.02Å; F28-M90 HydrophobicContact CE2-CE 4.23Å; F28-M90 HydrophobicContact CG-CE 4.1Å; F28-M90 HydrophobicContact CZ-CE 4.48Å; R31-M90 HydrophobicContact CB-CE 4.14Å; R31-M90 HydrophobicContact CB-SD 4.25Å; R31-M90 HydrophobicContact CG-CE 4.41Å; R31-M90 HydrophobicContact CG-SD 3.87Å; Y33-M90 HydrophobicContact CD2-SD 4.33Å; Y33-M90 HydrophobicContact CE2-SD 3.81Å; A86-M90 WeakPolarHBondContact O-CG 3.38Å; A86-M90 PolarHBondContact O-N 3.41Å; A87-M90 PolarHBondContact O-N 2.93Å; A87-M90 VanDerWaalsContact O-N 3.09Å; M90-T103 WeakPolarHBondContact O-CA 3.37Å; M90-L104 PolarHBondContact O-N 3.28Å
91L98.6Very high98Very high0 Ų058.8 Ų58.80%032%0.323CS..Hα-helixtrans-68.9-35.9178.7-90.966.4000111.8I9 F28 A87 A89 L104 R105 V117I9-L91 HydrophobicContact CD1-CD1 4.37Å; F28-L91 HydrophobicContact CE2-CD1 3.92Å; F28-L91 HydrophobicContact CZ-CD1 3.67Å; A87-L91 WeakPolarHBondContact O-CB 3.34Å; A87-L91 WeakPolarHBondContact O-CD1 3.36Å; A87-L91 PolarHBondContact O-N 2.79Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 2.7Å; L91-L104 HydrophobicContact CD1-CD1 4.07Å; L91-L104 HydrophobicContact CG-CD1 4.36Å; L91-R105 VanDerWaalsContact O-CB 3.31Å; L91-R105 WeakPolarHBondContact O-CB 3.27Å; L91-R105 VanDerWaalsContact O-CG 3.28Å; L91-R105 WeakPolarHBondContact O-CG 3.33Å; L91-R105 PolarHBondContact O-N 3.4Å; L91-V117 HydrophobicContact CB-CG1 4.47Å; L91-V117 HydrophobicContact CD1-CG2 4.44Å; L91-V117 HydrophobicContact CD2-CB 4.45Å; L91-V117 HydrophobicContact CD2-CG1 3.94Å; L91-V117 HydrophobicContact CD2-CG2 3.92Å; L91-V117 HydrophobicContact CG-CG1 3.69Å; L91-V117 HydrophobicContact CG-CG2 4.1Å
92G98.5Very high98Very high11 Ų1157.6 Ų57.611%0.11334%0.335CS..  trans89.7-178.2-172.100000113.1R88 A89 R105R88-G92 PolarHBondContact O-N 2.98Å; A89-G92 PolarHBondContact O-N 2.97Å; G92-R105 PolarHBondContact O-NH1 3.19Å
93A97.9Very high98.1Very high31 Ų3155 Ų5526%0.25632%0.322SS..  trans-62.4157.9178.900000111.8K95 E98 S99 R105A93-K95 VanDerWaalsContact C-N 3.27Å; A93-K95 PolarHBondContact O-N 3.21Å; A93-E98 HydrophobicContact CB-CB 3.91Å; A93-S99 PolarHBondContact N-OG 3.17Å; A93-S99 PolarHBondContact O-OG 3.49Å; A93-S99 VanDerWaalsContact O-OG 3.1Å; A93-R105 VanDerWaalsContact C-NH1 3.3Å; A93-R105 WeakPolarHBondContact O-CD 3.31Å; A93-R105 PolarHBondContact O-NH1 3.1Å
94T95.5Very high98.1Very high73 Ų7355 Ų5545%0.44832%0.322SS..SBendtrans-63.1-36.9-179.6-60.60000111.8N115T94-N115 PolarHBondContact O-ND2 3.43Å
95K96.8Very high98.1Very high107 Ų10754.9 Ų54.947%0.46532%0.321SS..SBendtrans-85.9121.4170.6-69.4168179.2178.60109.1A93 L97 E98 S99 V112A93-K95 VanDerWaalsContact C-N 3.27Å; A93-K95 PolarHBondContact O-N 3.21Å; K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.91Å; K95-E98 HydrophobicContact CB-CB 4.4Å; K95-E98 HydrophobicContact CB-CG 4.24Å; K95-E98 VanDerWaalsContact CD-CD 3.45Å; K95-E98 HydrophobicContact CD-CG 4.39Å; K95-E98 WeakPolarHBondContact CD-OE1 3.05Å; K95-E98 IonicContact NZ-OE1 3.82Å; K95-E98 PolarHBondContact NZ-OE1 2.77Å; K95-E98 PolarHBondContact O-N 3.29Å; K95-E98 VanDerWaalsContact O-N 3.09Å; K95-S99 PolarHBondContact O-N 3.2Å; K95-S99 PolarHBondContact O-OG 3.46Å; K95-V112 HydrophobicContact CG-CB 4.23Å; K95-V112 HydrophobicContact CG-CG2 3.83Å
96P97.1Very high98.1Very high6 Ų648.2 Ų48.24%0.03930%0.299CS..G310 helixtrans-57.9-38.5-178.3-30.238000114.5E98 S99 C109 N115P96-E98 PolarHBondContact O-N 2.95Å; P96-E98 VanDerWaalsContact O-N 3.14Å; P96-S99 WeakPolarHBondContact O-CA 3.5Å; P96-S99 WeakPolarHBondContact O-CB 3.44Å; P96-S99 PolarHBondContact O-N 3.28Å; P96-S99 PolarHBondContact O-OG 3.09Å; P96-C109 HydrophobicContact CB-CB 3.55Å; P96-C109 WeakPolarHBondContact CB-O 3.45Å; P96-C109 HydrophobicContact CG-CB 3.35Å; P96-N115 HydrophobicContact CG-CB 4.04Å
97L97Very high98.1Very high165 Ų16550.4 Ų50.486%0.86431%0.308SS*.G310 helixtrans-59.9-25.9178.3-172.364.8000113.6K95K95-L97 VanDerWaalsContact C-N 3.3Å; K95-L97 PolarHBondContact O-N 2.91Å
98E98.2Very high98.1Very high124 Ų12452.7 Ų52.758%0.57932%0.318SS*.G310 helixtrans-930.8177-62.4171.2-169.600111.9A93 K95 P96A93-E98 HydrophobicContact CB-CB 3.91Å; K95-E98 HydrophobicContact CB-CB 4.4Å; K95-E98 HydrophobicContact CB-CG 4.24Å; K95-E98 VanDerWaalsContact CD-CD 3.45Å; K95-E98 HydrophobicContact CD-CG 4.39Å; K95-E98 WeakPolarHBondContact CD-OE1 3.05Å; K95-E98 IonicContact NZ-OE1 3.82Å; K95-E98 PolarHBondContact NZ-OE1 2.77Å; K95-E98 PolarHBondContact O-N 3.29Å; K95-E98 VanDerWaalsContact O-N 3.09Å; P96-E98 PolarHBondContact O-N 2.95Å; P96-E98 VanDerWaalsContact O-N 3.14Å
99S98.2Very high98.1Very high13 Ų1349.7 Ų49.79%0.09131%0.308CS..SBendtrans-89131180-57.90000110.6A93 K95 P96 T103A93-S99 PolarHBondContact N-OG 3.17Å; A93-S99 PolarHBondContact O-OG 3.49Å; A93-S99 VanDerWaalsContact O-OG 3.1Å; K95-S99 PolarHBondContact O-N 3.2Å; K95-S99 PolarHBondContact O-OG 3.46Å; P96-S99 WeakPolarHBondContact O-CA 3.5Å; P96-S99 WeakPolarHBondContact O-CB 3.44Å; P96-S99 PolarHBondContact O-N 3.28Å; P96-S99 PolarHBondContact O-OG 3.09Å; S99-T103 WeakPolarHBondContact CB-OG1 3.16Å
100A98.4Very high98.1Very high59 Ų5952.5 Ų52.549%0.48832%0.318SS..PPolyproline II helixtrans-66.2147.5177.200000111.7T103A100-T103 HydrophobicContact CB-CG2 4.43Å; A100-T103 WeakPolarHBondContact O-CB 3.37Å; A100-T103 WeakPolarHBondContact O-CG2 3.45Å; A100-T103 PolarHBondContact O-N 3.19Å; A100-T103 VanDerWaalsContact O-N 3.16Å; A100-T103 PolarHBondContact O-OG1 3.17Å
101P98.4Very high98Very high122 Ų12256.2 Ų56.279%0.79234%0.339SS*.THydrogen-bonded Turntrans-52141.3165.8-25.534.9000111.2T103P101-T103 VanDerWaalsContact C-N 3.35Å
102G98Very high97.8Very high52 Ų5259.9 Ų59.954%0.53636%0.361SS..THydrogen-bonded Turntrans90-8.8-173.100000114.5R27 D107R27-G102 VanDerWaalsContact NH1-C 3.3Å; R27-G102 PolarHBondContact NH1-O 3.43Å; G102-D107 VanDerWaalsContact CA-OD2 3.24Å; G102-D107 WeakPolarHBondContact CA-OD2 3.23Å; G102-D107 PolarHBondContact N-OD1 3.29Å; G102-D107 PolarHBondContact N-OD2 3.31Å
103T98.7Very high97.6Very high17 Ų1761.2 Ų61.210%0.10438%0.375CS..SBendtrans-88155.4167.467.20000110.7M90 S99 A100 P101 R105 G106 D107M90-T103 WeakPolarHBondContact O-CA 3.37Å; S99-T103 WeakPolarHBondContact CB-OG1 3.16Å; A100-T103 HydrophobicContact CB-CG2 4.43Å; A100-T103 WeakPolarHBondContact O-CB 3.37Å; A100-T103 WeakPolarHBondContact O-CG2 3.45Å; A100-T103 PolarHBondContact O-N 3.19Å; A100-T103 VanDerWaalsContact O-N 3.16Å; A100-T103 PolarHBondContact O-OG1 3.17Å; P101-T103 VanDerWaalsContact C-N 3.35Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.32Å; T103-G106 PolarHBondContact O-N 2.65Å; T103-G106 PolarHBondContact OG1-N 2.83Å; T103-D107 WeakPolarHBondContact O-CB 3.38Å; T103-D107 VanDerWaalsContact O-CG 3.29Å; T103-D107 PolarHBondContact O-N 3.05Å
104L98.8Very high97.6Very high0 Ų066 Ų660%039%0.386CS..Hα-helixtrans-57.7-41.4179.4-75.6166.2000112.2V24 R27 F28 M90 L91 F108 V117V24-L104 HydrophobicContact CG1-CD1 4.22Å; V24-L104 HydrophobicContact CG2-CD1 4.23Å; V24-L104 HydrophobicContact CG2-CD2 4.17Å; R27-L104 HydrophobicContact CG-CD2 4.22Å; F28-L104 HydrophobicContact CE2-CD1 4.25Å; M90-L104 PolarHBondContact O-N 3.28Å; L91-L104 HydrophobicContact CD1-CD1 4.07Å; L91-L104 HydrophobicContact CG-CD1 4.36Å; L104-F108 HydrophobicContact CD2-CD2 4.15Å; L104-F108 HydrophobicContact CD2-CE2 4.04Å; L104-F108 WeakPolarHBondContact O-CB 3.12Å; L104-F108 WeakPolarHBondContact O-CD2 3.48Å; L104-F108 PolarHBondContact O-N 3.22Å; L104-F108 VanDerWaalsContact O-N 3.14Å; L104-V117 HydrophobicContact CB-CG1 4.24Å; L104-V117 HydrophobicContact CD1-CG1 4.3Å
105R98.7Very high97.7Very high4 Ų462.9 Ų62.92%0.01537%0.367CS..Hα-helixtrans-77-36.2178.4-69173-170.8139.57.4112.7L91 G92 A93 T103 D107 C109 N115 V117L91-R105 VanDerWaalsContact O-CB 3.31Å; L91-R105 WeakPolarHBondContact O-CB 3.27Å; L91-R105 VanDerWaalsContact O-CG 3.28Å; L91-R105 WeakPolarHBondContact O-CG 3.33Å; L91-R105 PolarHBondContact O-N 3.4Å; G92-R105 PolarHBondContact O-NH1 3.19Å; A93-R105 VanDerWaalsContact C-NH1 3.3Å; A93-R105 WeakPolarHBondContact O-CD 3.31Å; A93-R105 PolarHBondContact O-NH1 3.1Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.32Å; R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 2.71Å; R105-C109 HydrophobicContact CB-CB 4.32Å; R105-C109 WeakPolarHBondContact O-CA 3.38Å; R105-C109 VanDerWaalsContact O-CB 3.28Å; R105-C109 WeakPolarHBondContact O-CB 3.41Å; R105-C109 PolarHBondContact O-N 3.34Å; R105-N115 HydrophobicContact CG-CB 4.47Å; R105-N115 WeakPolarHBondContact CG-O 3.31Å; R105-N115 PolarHBondContact NE-O 3.23Å; R105-V117 HydrophobicContact CG-CG1 4.42Å; R105-V117 PolarHBondContact NH2-O 2.9Å
106G98.5Very high97.7Very high28 Ų2857.8 Ų57.829%0.28934%0.344SS..Hα-helixtrans-63.8-38.3175.900000112.4T103T103-G106 PolarHBondContact O-N 2.65Å; T103-G106 PolarHBondContact OG1-N 2.83Å
107D98.7Very high97.8Very high69 Ų6957.5 Ų57.537%0.36934%0.343SS..Hα-helixtrans-83.5-28.7-177.5-64.7-20.6000113.2R27 G102 T103 R105R27-D107 IonicContact CZ-OD2 3.95Å; R27-D107 IonicContact NH1-OD2 2.98Å; R27-D107 PolarHBondContact NH1-OD2 2.81Å; R27-D107 IonicContact NH2-OD2 3.9Å; R27-D107 PolarHBondContact NH2-OD2 2.8Å; G102-D107 VanDerWaalsContact CA-OD2 3.24Å; G102-D107 WeakPolarHBondContact CA-OD2 3.23Å; G102-D107 PolarHBondContact N-OD1 3.29Å; G102-D107 PolarHBondContact N-OD2 3.31Å; T103-D107 WeakPolarHBondContact O-CB 3.38Å; T103-D107 VanDerWaalsContact O-CG 3.29Å; T103-D107 PolarHBondContact O-N 3.05Å; R105-D107 VanDerWaalsContact C-N 3.32Å; R105-D107 PolarHBondContact O-N 2.71Å
108F98.6Very high97.9Very high47 Ų4751 Ų5121%0.20631%0.308CS..Hα-helixtrans-126.7-0.2-167.9-55.2-57000115.3R18 L20 E23 L104 L116R18-F108 PolarHBondContact NH1-O 3.2Å; R18-F108 PolarHBondContact NH2-O 2.62Å; L20-F108 HydrophobicContact CD1-CB 3.95Å; L20-F108 HydrophobicContact CD1-CG 4.31Å; L20-F108 HydrophobicContact CD2-CD1 4.21Å; L20-F108 HydrophobicContact CD2-CE1 4.42Å; L20-F108 HydrophobicContact CD2-CG 4.44Å; E23-F108 HydrophobicContact CB-CE2 3.83Å; E23-F108 HydrophobicContact CB-CZ 4.04Å; E23-F108 HydrophobicContact CG-CE1 4.46Å; E23-F108 HydrophobicContact CG-CE2 4.07Å; E23-F108 HydrophobicContact CG-CZ 3.73Å; L104-F108 HydrophobicContact CD2-CD2 4.15Å; L104-F108 HydrophobicContact CD2-CE2 4.04Å; L104-F108 WeakPolarHBondContact O-CB 3.12Å; L104-F108 WeakPolarHBondContact O-CD2 3.48Å; L104-F108 PolarHBondContact O-N 3.22Å; L104-F108 VanDerWaalsContact O-N 3.14Å; F108-L116 HydrophobicContact CB-CD2 3.8Å; F108-L116 HydrophobicContact CD2-CD2 4.12Å; F108-L116 HydrophobicContact CG-CD2 4.4Å
109C98.5Very high97.9Very high12 Ų1245.1 Ų45.18%0.08128%0.281CS..  trans-127152.4-178-54.40000111.9P96 R105 N115 L116P96-C109 HydrophobicContact CB-CB 3.55Å; P96-C109 WeakPolarHBondContact CB-O 3.45Å; P96-C109 HydrophobicContact CG-CB 3.35Å; R105-C109 HydrophobicContact CB-CB 4.32Å; R105-C109 WeakPolarHBondContact O-CA 3.38Å; R105-C109 VanDerWaalsContact O-CB 3.28Å; R105-C109 WeakPolarHBondContact O-CB 3.41Å; R105-C109 PolarHBondContact O-N 3.34Å; C109-N115 VanDerWaalsContact SG-C 3.52Å; C109-L116 WeakPolarHBondContact SG-CB 3.35Å
110V98.1Very high97.9Very high130 Ų13044.5 Ų44.579%0.78828%0.277SS*.  trans-118.7-48.6176.4-1800000109.7
111D96.5Very high97.8Very high111 Ų11146.5 Ų46.559%0.59428%0.279SS*.SBendtrans-107.9144.8-171-118.5-44.7000113.8G113 R114D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact O-N 3.04Å; D111-R114 CarbonylContact O-C 3.57Å; D111-R114 VanDerWaalsContact O-C 3.24Å; D111-R114 PolarHBondContact O-N 3.4Å
112V94.5Very high97.8Very high76 Ų7642.2 Ų42.246%0.46125%0.252SS..G310 helixtrans-63.7-33.3-175.666.20000113.1K95 R114K95-V112 HydrophobicContact CG-CB 4.23Å; K95-V112 HydrophobicContact CG-CG2 3.83Å; V112-R114 PolarHBondContact O-N 2.75Å
113G94.2Very high97.8Very high39 Ų3942.4 Ų42.440%0.40224%0.243SC..G310 helixtrans-75.3-8.4176.800000114.3D111D111-G113 VanDerWaalsContact C-N 3.29Å; D111-G113 PolarHBondContact O-N 3.04Å
114R97.5Very high97.8Very high132 Ų13248.2 Ų48.250%0.49827%0.268SS..G310 helixtrans-133.557.6-179-62.2-64.1-179.3-86.4-2.9109.5D14 D111 V112D14-R114 VanDerWaalsContact OD2-CA 3.31Å; D14-R114 WeakPolarHBondContact OD2-CA 3.36Å; D111-R114 CarbonylContact O-C 3.57Å; D111-R114 VanDerWaalsContact O-C 3.24Å; D111-R114 PolarHBondContact O-N 3.4Å; V112-R114 PolarHBondContact O-N 2.75Å
115N97.7Very high97.7Very high7 Ų748.5 Ų48.54%0.03727%0.27CS..  trans-9926.7-173.573.2-10.2000114.1K12 T94 P96 R105 C109 V117K12-N115 PolarHBondContact NZ-OD1 3.38Å; T94-N115 PolarHBondContact O-ND2 3.43Å; P96-N115 HydrophobicContact CG-CB 4.04Å; R105-N115 HydrophobicContact CG-CB 4.47Å; R105-N115 WeakPolarHBondContact CG-O 3.31Å; R105-N115 PolarHBondContact NE-O 3.23Å; C109-N115 VanDerWaalsContact SG-C 3.52Å; N115-V117 PolarHBondContact O-N 2.92Å
116L98Very high97.7Very high0 Ų048.3 Ų48.30%027%0.27CS..  trans65.1-48.2163.817564.6000118V11 K12 D14 L20 F108 C109V11-L116 HydrophobicContact CG1-CD1 4.32Å; K12-L116 WeakPolarHBondContact CB-O 3.39Å; K12-L116 PolarHBondContact N-O 3.46Å; D14-L116 WeakPolarHBondContact OD1-CA 3.43Å; D14-L116 WeakPolarHBondContact OD2-CA 3.25Å; D14-L116 PolarHBondContact OD2-N 2.98Å; L20-L116 HydrophobicContact CB-CD1 3.79Å; L20-L116 HydrophobicContact CD1-CD1 3.81Å; L20-L116 HydrophobicContact CD1-CD2 4.2Å; L20-L116 HydrophobicContact CG-CD1 4.48Å; F108-L116 HydrophobicContact CB-CD2 3.8Å; F108-L116 HydrophobicContact CD2-CD2 4.12Å; F108-L116 HydrophobicContact CG-CD2 4.4Å; C109-L116 WeakPolarHBondContact SG-CB 3.35Å
117V98.6Very high97.7Very high0 Ų051.7 Ų51.70%028%0.281CS..EExtended strand (participates in β ladder)trans-146137.4-16259.80000111.2I9 A10 V24 L91 L104 R105 N115I9-V117 HydrophobicContact CG2-CG2 3.76Å; A10-V117 CarbonylContact O-C 3.56Å; A10-V117 VanDerWaalsContact O-CA 3.31Å; A10-V117 WeakPolarHBondContact O-CA 3.2Å; V24-V117 HydrophobicContact CG1-CG2 4.17Å; L91-V117 HydrophobicContact CB-CG1 4.47Å; L91-V117 HydrophobicContact CD1-CG2 4.44Å; L91-V117 HydrophobicContact CD2-CB 4.45Å; L91-V117 HydrophobicContact CD2-CG1 3.94Å; L91-V117 HydrophobicContact CD2-CG2 3.92Å; L91-V117 HydrophobicContact CG-CG1 3.69Å; L91-V117 HydrophobicContact CG-CG2 4.1Å; L104-V117 HydrophobicContact CB-CG1 4.24Å; L104-V117 HydrophobicContact CD1-CG1 4.3Å; R105-V117 HydrophobicContact CG-CG1 4.42Å; R105-V117 PolarHBondContact NH2-O 2.9Å; N115-V117 PolarHBondContact O-N 2.92Å
118H98.5Very high97.7Very high28 Ų2853.2 Ų53.213%0.1328%0.282CS..EExtended strand (participates in β ladder)trans-100.7149.816917276.6000110.2F8 I9 A10 H51 E129F8-H118 AromaticContact CD1-CD2 3.56Å; F8-H118 AromaticContact CD1-NE2 3.85Å; F8-H118 AromaticContact CE1-CD2 3.6Å; I9-H118 WeakPolarHBondContact CA-O 3.5Å; A10-H118 HydrophobicContact CB-CB 4.3Å; A10-H118 PolarHBondContact N-O 2.85Å; A10-H118 PolarHBondContact O-N 2.77Å; H51-H118 AromaticContact CE1-CE1 3.97Å; H51-H118 AromaticContact CE1-NE2 3.59Å; H51-H118 AromaticContact NE2-CE1 3.9Å; H51-H118 AromaticContact NE2-NE2 3.87Å; H118-E129 IonicContact CD2-OE2 3.5Å; H118-E129 IonicContact CE1-OE1 3.64Å; H118-E129 IonicContact CE1-OE2 2.63Å; H118-E129 IonicContact NE2-OE1 2.74Å; H118-E129 IonicContact NE2-OE2 2.68Å; H118-E129 PolarHBondContact NE2-OE2 2.94Å
119G98.4Very high97.7Very high2 Ų251.3 Ų51.32%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-153.2138.6167.800000110.4F8F8-G119 WeakPolarHBondContact O-CA 3.46Å
120S98.4Very high97.7Very high0 Ų051.8 Ų51.80%028%0.275CS..  trans-53.6143.2-178.7-45.70000111.6F8 R88 A126 E129F8-S120 WeakPolarHBondContact CB-OG 3.43Å; F8-S120 PolarHBondContact N-OG 3.35Å; F8-S120 PolarHBondContact O-N 3.1Å; F8-S120 PolarHBondContact O-OG 3.3Å; R88-S120 WeakPolarHBondContact CD-O 3.48Å; R88-S120 WeakPolarHBondContact CG-O 3.45Å; S120-A126 WeakPolarHBondContact OG-CA 3.41Å; S120-E129 WeakPolarHBondContact CB-OE2 3.18Å; S120-E129 PolarHBondContact OG-OE2 2.85Å
121D97.2Very high97.7Very high100 Ų10048.3 Ų48.354%0.53527%0.266SS..SBendtrans-93-13.3-174.559.89.9000114.8S125D121-S125 WeakPolarHBondContact OD1-CB 2.9Å; D121-S125 PolarHBondContact OD1-OG 3.28Å
122S97.9Very high97.8Very high33 Ų3345.5 Ų45.523%0.23125%0.251CS..SBendtrans-155.4162.4-174.756.70000109.6E124 S125 A126S122-E124 WeakPolarHBondContact CB-OE2 3.41Å; S122-E124 PolarHBondContact O-N 2.99Å; S122-S125 PolarHBondContact O-N 3.42Å; S122-S125 VanDerWaalsContact OG-CB 3.23Å; S122-S125 WeakPolarHBondContact OG-CB 3.43Å; S122-S125 PolarHBondContact OG-N 3.09Å; S122-S125 VanDerWaalsContact OG-N 3.1Å; S122-S125 PolarHBondContact OG-OG 2.86Å; S122-S125 VanDerWaalsContact OG-OG 3.05Å; S122-A126 WeakPolarHBondContact O-CB 3.41Å; S122-A126 PolarHBondContact O-N 3.41Å
123V98.2Very high98Very high55 Ų5542.3 Ų42.333%0.33323%0.23SC..Hα-helixtrans-65.6-36.1177.5176.50000110E5 V84 A126 N127E5-V123 HydrophobicContact CG-CG2 4.44Å; E5-V123 WeakPolarHBondContact OE2-CG2 3.22Å; V84-V123 HydrophobicContact CG2-CG2 4.15Å; V123-A126 PolarHBondContact O-N 3.36Å; V123-N127 PolarHBondContact O-N 3.07Å; V123-N127 PolarHBondContact O-ND2 3.31Å; V123-N127 VanDerWaalsContact O-ND2 3.13Å
124E98Very high98.2Very high139 Ų13940.9 Ų40.965%0.6521%0.213SC*.Hα-helixtrans-61.2-51.6174.8-63.374.8-165.100111.2S122 A126 N127 R128S122-E124 WeakPolarHBondContact CB-OE2 3.41Å; S122-E124 PolarHBondContact O-N 2.99Å; E124-A126 VanDerWaalsContact C-N 3.31Å; E124-A126 PolarHBondContact O-N 2.85Å; E124-N127 PolarHBondContact O-N 3.41Å; E124-R128 PolarHBondContact O-N 3.16Å; E124-R128 VanDerWaalsContact O-N 3.16Å
125S97.9Very high98.3Very high6 Ų640.7 Ų40.74%0.04222%0.216CC..Hα-helixtrans-61.3-39.9175.1-72.20000111.7D121 S122 R128 E129D121-S125 WeakPolarHBondContact OD1-CB 2.9Å; D121-S125 PolarHBondContact OD1-OG 3.28Å; S122-S125 PolarHBondContact O-N 3.42Å; S122-S125 VanDerWaalsContact OG-CB 3.23Å; S122-S125 WeakPolarHBondContact OG-CB 3.43Å; S122-S125 PolarHBondContact OG-N 3.09Å; S122-S125 VanDerWaalsContact OG-N 3.1Å; S122-S125 PolarHBondContact OG-OG 2.86Å; S122-S125 VanDerWaalsContact OG-OG 3.05Å; S125-R128 PolarHBondContact O-N 3.47Å; S125-R128 PolarHBondContact OG-NH2 3.43Å; S125-E129 VanDerWaalsContact O-CB 3.27Å; S125-E129 WeakPolarHBondContact O-CB 3.38Å; S125-E129 WeakPolarHBondContact O-CG 3.35Å; S125-E129 PolarHBondContact O-N 3.33Å
126A98.6Very high98.3Very high0 Ų045.7 Ų45.70%025%0.249CC..Hα-helixtrans-60.3-49.9178.300000112.1R6 V84 S120 S122 V123 E124 R128 E129 I130R6-A126 WeakPolarHBondContact O-CB 3.32Å; V84-A126 HydrophobicContact CG2-CB 3.96Å; S120-A126 WeakPolarHBondContact OG-CA 3.41Å; S122-A126 WeakPolarHBondContact O-CB 3.41Å; S122-A126 PolarHBondContact O-N 3.41Å; V123-A126 PolarHBondContact O-N 3.36Å; E124-A126 VanDerWaalsContact C-N 3.31Å; E124-A126 PolarHBondContact O-N 2.85Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 3.42Å; A126-E129 PolarHBondContact O-N 2.89Å; A126-I130 WeakPolarHBondContact O-CB 3.48Å; A126-I130 WeakPolarHBondContact O-CD1 3.35Å; A126-I130 WeakPolarHBondContact O-CG1 3.45Å; A126-I130 PolarHBondContact O-N 3.48Å
127N98.3Very high98.3Very high100 Ų10052.4 Ų52.454%0.53528%0.28SS..Hα-helixtrans-60.2-43.7178.8-72.6-38.5000111.9V123 E124 G131V123-N127 PolarHBondContact O-N 3.07Å; V123-N127 PolarHBondContact O-ND2 3.31Å; V123-N127 VanDerWaalsContact O-ND2 3.13Å; E124-N127 PolarHBondContact O-N 3.41Å; N127-G131 PolarHBondContact O-N 3.13Å; N127-G131 VanDerWaalsContact O-N 3.09Å
128R98.2Very high98.3Very high100 Ų10055.7 Ų55.738%0.37730%0.295SS..Hα-helixtrans-61.4-48.8175.6-179.9-165.165.5-146.4-2.9111.7E54 E124 S125 A126 G131 L132E54-R128 IonicContact OE1-CZ 2.86Å; E54-R128 IonicContact OE1-NH1 3.7Å; E54-R128 PolarHBondContact OE1-NH1 2.97Å; E54-R128 IonicContact OE1-NH2 3.22Å; E124-R128 PolarHBondContact O-N 3.16Å; E124-R128 VanDerWaalsContact O-N 3.16Å; S125-R128 PolarHBondContact O-N 3.47Å; S125-R128 PolarHBondContact OG-NH2 3.43Å; A126-R128 VanDerWaalsContact C-N 3.33Å; A126-R128 PolarHBondContact O-N 3.42Å; R128-G131 PolarHBondContact O-N 2.84Å; R128-L132 WeakPolarHBondContact O-CB 3.1Å; R128-L132 PolarHBondContact O-N 2.78Å
129E98.7Very high98.3Very high8 Ų855.3 Ų55.34%0.03729%0.294CS..Hα-helixtrans-65.6-43.6-177.8-73.2169.1-16300111.6F8 H51 H118 S120 S125 A126 G131 L132 W133F8-E129 HydrophobicContact CB-CB 3.78Å; F8-E129 HydrophobicContact CD1-CB 3.96Å; F8-E129 WeakPolarHBondContact CD1-OE2 3.4Å; F8-E129 HydrophobicContact CG-CB 3.93Å; H51-E129 IonicContact CE1-OE1 3.2Å; H51-E129 IonicContact CE1-OE2 2.88Å; H118-E129 IonicContact CD2-OE2 3.5Å; H118-E129 IonicContact CE1-OE1 3.64Å; H118-E129 IonicContact CE1-OE2 2.63Å; H118-E129 IonicContact NE2-OE1 2.74Å; H118-E129 IonicContact NE2-OE2 2.68Å; H118-E129 PolarHBondContact NE2-OE2 2.94Å; S120-E129 WeakPolarHBondContact CB-OE2 3.18Å; S120-E129 PolarHBondContact OG-OE2 2.85Å; S125-E129 VanDerWaalsContact O-CB 3.27Å; S125-E129 WeakPolarHBondContact O-CB 3.38Å; S125-E129 WeakPolarHBondContact O-CG 3.35Å; S125-E129 PolarHBondContact O-N 3.33Å; A126-E129 PolarHBondContact O-N 2.89Å; E129-G131 PolarHBondContact O-N 2.95Å; E129-L132 PolarHBondContact O-N 3.26Å; E129-W133 WeakPolarHBondContact O-CB 3Å; E129-W133 PolarHBondContact O-N 3.41Å
130I98.8Very high98.3Very high21 Ų2159 Ų5911%0.10832%0.319CS..Hα-helixtrans-58.2-50.1175.3-67.7164.9000110.2R6 F8 V77 A126 L132 W133 F134 I139R6-I130 HydrophobicContact CB-CD1 3.58Å; F8-I130 HydrophobicContact CB-CG1 4.02Å; V77-I130 HydrophobicContact CG1-CD1 3.73Å; V77-I130 HydrophobicContact CG1-CG1 3.99Å; V77-I130 HydrophobicContact CG1-CG2 4.46Å; V77-I130 HydrophobicContact CG2-CG1 4.01Å; V77-I130 HydrophobicContact CG2-CG2 4.13Å; A126-I130 WeakPolarHBondContact O-CB 3.48Å; A126-I130 WeakPolarHBondContact O-CD1 3.35Å; A126-I130 WeakPolarHBondContact O-CG1 3.45Å; A126-I130 PolarHBondContact O-N 3.48Å; I130-L132 PolarHBondContact O-N 3.41Å; I130-W133 PolarHBondContact O-N 2.94Å; I130-F134 PolarHBondContact O-N 2.83Å; I130-I139 HydrophobicContact CG2-CD1 4.34Å
131G98.3Very high98.3Very high58 Ų5868.6 Ų68.660%0.59836%0.361SS*.Hα-helixtrans-66.1-23.4-179.900000114.2N127 R128 E129N127-G131 PolarHBondContact O-N 3.13Å; N127-G131 VanDerWaalsContact O-N 3.09Å; R128-G131 PolarHBondContact O-N 2.84Å; E129-G131 PolarHBondContact O-N 2.95Å
132L98.3Very high98.3Very high52 Ų5269.2 Ų69.227%0.27236%0.355SS..Hα-helixtrans-80.3-40.4175.4179.965.1000112.1L47 K50 H51 R128 E129 I130L47-L132 HydrophobicContact CD1-CD1 3.88Å; L47-L132 HydrophobicContact CD1-CD2 4.02Å; L47-L132 HydrophobicContact CD1-CG 3.54Å; K50-L132 HydrophobicContact CB-CD1 3.71Å; K50-L132 HydrophobicContact CB-CD2 3.78Å; K50-L132 HydrophobicContact CB-CG 4.41Å; K50-L132 HydrophobicContact CD-CD1 3.82Å; K50-L132 HydrophobicContact CG-CD1 4.39Å; H51-L132 HydrophobicContact CB-CD2 3.75Å; R128-L132 WeakPolarHBondContact O-CB 3.1Å; R128-L132 PolarHBondContact O-N 2.78Å; E129-L132 PolarHBondContact O-N 3.26Å; I130-L132 PolarHBondContact O-N 3.41Å
133W98.7Very high98.1Very high8 Ų873.4 Ų73.43%0.0338%0.38CS..Hα-helixtrans-91.3-25.9-173.3-76.679.8000113.6F8 K39 I41 A43 L47 L48 H51 V73 A75 E129 I130F8-W133 HydrophobicContact CD2-CB 4.19Å; F8-W133 HydrophobicContact CD2-CG 4.25Å; F8-W133 HydrophobicContact CE1-CD2 4.36Å; F8-W133 HydrophobicContact CE1-CG 4.39Å; F8-W133 AromaticContact CE1-NE1 3.94Å; F8-W133 HydrophobicContact CE2-CB 3.57Å; F8-W133 AromaticContact CE2-CD1 3.83Å; F8-W133 AromaticContact CE2-CD2 3.69Å; F8-W133 HydrophobicContact CE2-CD2 3.69Å; F8-W133 HydrophobicContact CE2-CE3 4.17Å; F8-W133 AromaticContact CE2-CG 3.41Å; F8-W133 HydrophobicContact CE2-CG 3.41Å; F8-W133 VanDerWaalsContact CE2-CG 3.41Å; F8-W133 HydrophobicContact CZ-CB 4.19Å; F8-W133 AromaticContact CZ-CD1 3.67Å; F8-W133 AromaticContact CZ-CD2 3.38Å; F8-W133 HydrophobicContact CZ-CD2 3.38Å; F8-W133 AromaticContact CZ-CE2 3.51Å; F8-W133 AromaticContact CZ-CE3 3.9Å; F8-W133 HydrophobicContact CZ-CE3 3.9Å; F8-W133 AromaticContact CZ-CG 3.5Å; F8-W133 HydrophobicContact CZ-CG 3.5Å; F8-W133 VanDerWaalsContact CZ-CG 3.5Å; F8-W133 HydrophobicContact CZ-CZ2 4.14Å; F8-W133 HydrophobicContact CZ-CZ3 4.46Å; F8-W133 AromaticContact CZ-NE1 3.66Å; K39-W133 WeakPolarHBondContact CE-O 3.15Å; K39-W133 PolarHBondContact NZ-O 2.97Å; I41-W133 HydrophobicContact CD1-CE3 3.91Å; I41-W133 HydrophobicContact CD1-CZ3 3.76Å; I41-W133 HydrophobicContact CG1-CZ3 4.2Å; A43-W133 HydrophobicContact CB-CH2 3.82Å; A43-W133 HydrophobicContact CB-CZ3 4.2Å; L47-W133 HydrophobicContact CD1-CD2 4.43Å; L47-W133 HydrophobicContact CD2-CD2 4.16Å; L47-W133 HydrophobicContact CD2-CE3 3.95Å; L47-W133 HydrophobicContact CD2-CH2 4.21Å; L47-W133 HydrophobicContact CD2-CZ2 4.4Å; L47-W133 HydrophobicContact CD2-CZ3 3.98Å; L47-W133 HydrophobicContact CG-CZ2 4.43Å; L48-W133 HydrophobicContact CD2-CH2 4.5Å; L48-W133 HydrophobicContact CD2-CZ2 4.46Å; H51-W133 AromaticContact CE1-NE1 3.87Å; H51-W133 AromaticContact CG-NE1 3.61Å; H51-W133 AromaticContact ND1-NE1 3.21Å; H51-W133 PolarHBondContact ND1-NE1 3.05Å; V73-W133 HydrophobicContact CG2-CH2 3.98Å; V73-W133 HydrophobicContact CG2-CZ3 3.69Å; A75-W133 HydrophobicContact CB-CE3 3.76Å; A75-W133 HydrophobicContact CB-CZ3 4.2Å; E129-W133 WeakPolarHBondContact O-CB 3Å; E129-W133 PolarHBondContact O-N 3.41Å; I130-W133 PolarHBondContact O-N 2.94Å
134F98.7Very high97.9Very high9 Ų972.5 Ų72.54%0.03937%0.37CS..  trans-130.7137.5-175.8-69-88.3000111.6F8 A37 K39 A75 V77 I130 E138 I139F8-F134 HydrophobicContact CD2-CE2 4.2Å; F8-F134 HydrophobicContact CE2-CE2 4.04Å; A37-F134 HydrophobicContact CB-CD1 3.82Å; A37-F134 HydrophobicContact CB-CE1 3.66Å; A37-F134 HydrophobicContact CB-CG 4.38Å; A37-F134 HydrophobicContact CB-CZ 4.1Å; K39-F134 HydrophobicContact CB-CE1 4.43Å; K39-F134 HydrophobicContact CD-CD1 4.27Å; K39-F134 HydrophobicContact CD-CE1 3.84Å; K39-F134 HydrophobicContact CD-CZ 4.45Å; K39-F134 HydrophobicContact CG-CE1 3.69Å; K39-F134 HydrophobicContact CG-CZ 3.96Å; A75-F134 HydrophobicContact CB-CE2 3.89Å; A75-F134 HydrophobicContact CB-CZ 3.8Å; V77-F134 HydrophobicContact CG2-CD2 3.53Å; V77-F134 HydrophobicContact CG2-CE2 3.6Å; V77-F134 HydrophobicContact CG2-CG 4.2Å; V77-F134 HydrophobicContact CG2-CZ 4.31Å; I130-F134 PolarHBondContact O-N 2.83Å; F134-E138 VanDerWaalsContact CA-OE2 3.31Å; F134-E138 WeakPolarHBondContact CA-OE2 3.45Å; F134-E138 HydrophobicContact CB-CB 4.42Å; F134-E138 HydrophobicContact CD1-CB 3.86Å; F134-I139 HydrophobicContact CB-CD1 3.65Å; F134-I139 HydrophobicContact CD1-CD1 4.32Å; F134-I139 HydrophobicContact CG-CD1 3.98Å
135K98.4Very high97.7Very high128 Ų12872.3 Ų72.356%0.55738%0.379SS*.  trans-74.7153.4164.9-54.4-176-175.9178.20109.9E137 E138K135-E137 VanDerWaalsContact CB-CD 3.47Å; K135-E137 HydrophobicContact CB-CG 4.21Å; K135-E137 WeakPolarHBondContact CB-OE2 3.43Å; K135-E137 WeakPolarHBondContact CD-OE1 3.44Å; K135-E137 PolarHBondContact O-N 2.9Å; K135-E137 VanDerWaalsContact O-N 3.16Å; K135-E138 HydrophobicContact CB-CG 4.22Å; K135-E138 PolarHBondContact N-OE2 3.4Å; K135-E138 WeakPolarHBondContact O-CB 3.27Å; K135-E138 PolarHBondContact O-N 2.82Å
136P98.1Very high97.5Very high113 Ų11374.7 Ų74.773%0.73439%0.391SS*.G310 helixtrans-53.6-36.5178.8-27.636.1000114.1E138 I139P136-E138 VanDerWaalsContact C-N 3.28Å; P136-E138 PolarHBondContact O-N 3.23Å; P136-I139 PolarHBondContact O-N 2.89Å
137E98.3Very high97.3Very high140 Ų14075.7 Ų75.765%0.65440%0.397SS*.G310 helixtrans-71-17.5177.963-91.1-154.400114.4K135 I139K135-E137 VanDerWaalsContact CB-CD 3.47Å; K135-E137 HydrophobicContact CB-CG 4.21Å; K135-E137 WeakPolarHBondContact CB-OE2 3.43Å; K135-E137 WeakPolarHBondContact CD-OE1 3.44Å; K135-E137 PolarHBondContact O-N 2.9Å; K135-E137 VanDerWaalsContact O-N 3.16Å; E137-I139 VanDerWaalsContact C-N 3.26Å
138E98.6Very high97.2Very high69 Ų6975.4 Ų75.432%0.32240%0.4SS..G310 helixtrans-80.6-8.5173.8-61.8-179.9101.500112.2A37 K39 F134 K135 P136A37-E138 WeakPolarHBondContact CB-O 3.43Å; K39-E138 WeakPolarHBondContact CD-OE1 3.28Å; K39-E138 VanDerWaalsContact NZ-CD 3.3Å; K39-E138 IonicContact NZ-OE1 3.19Å; K39-E138 PolarHBondContact NZ-OE1 3.16Å; K39-E138 IonicContact NZ-OE2 2.7Å; K39-E138 PolarHBondContact NZ-OE2 2.93Å; F134-E138 VanDerWaalsContact CA-OE2 3.31Å; F134-E138 WeakPolarHBondContact CA-OE2 3.45Å; F134-E138 HydrophobicContact CB-CB 4.42Å; F134-E138 HydrophobicContact CD1-CB 3.86Å; K135-E138 HydrophobicContact CB-CG 4.22Å; K135-E138 PolarHBondContact N-OE2 3.4Å; K135-E138 WeakPolarHBondContact O-CB 3.27Å; K135-E138 PolarHBondContact O-N 2.82Å; P136-E138 VanDerWaalsContact C-N 3.28Å; P136-E138 PolarHBondContact O-N 3.23Å
139I98.7Very high97.1Very high21 Ų2181.5 Ų81.511%0.10842%0.423CS..SBendtrans-95.3107.6179-47.3-57.6000110.3V36 A37 V77 I130 F134 P136 E137V36-I139 HydrophobicContact CB-CG2 4.06Å; V36-I139 HydrophobicContact CG2-CG2 3.95Å; V36-I139 CarbonylContact O-C 3.54Å; A37-I139 HydrophobicContact CB-CD1 3.5Å; A37-I139 VanDerWaalsContact CB-CD1 3.5Å; V77-I139 HydrophobicContact CB-CD1 4.42Å; V77-I139 HydrophobicContact CG2-CD1 3.93Å; I130-I139 HydrophobicContact CG2-CD1 4.34Å; F134-I139 HydrophobicContact CB-CD1 3.65Å; F134-I139 HydrophobicContact CD1-CD1 4.32Å; F134-I139 HydrophobicContact CG-CD1 3.98Å; P136-I139 PolarHBondContact O-N 2.89Å; E137-I139 VanDerWaalsContact C-N 3.26Å
140C98.5Very high96.9Very high78 Ų7883.6 Ų83.653%0.52744%0.437SS..  trans-71.6129.5-178.7-59.60000111.8V36V36-C140 PolarHBondContact O-N 2.73Å
141K97Very high96.7Very high203 Ų20383.8 Ų83.888%0.88344%0.436SS*.  trans-94.9115.3171.2-63.1-178.4-176.2178.60109.6
142W97.5Very high96.4Very high112 Ų11289.5 Ų89.542%0.42445%0.447SS..  trans-154.5157.2178.366.7-76.5000111.7K34 L35 R144K34-W142 HydrophobicContact CD-CD2 4.24Å; K34-W142 HydrophobicContact CD-CH2 4.45Å; K34-W142 HydrophobicContact CD-CZ2 4Å; K34-W142 HydrophobicContact CG-CD2 4.43Å; K34-W142 HydrophobicContact CG-CH2 3.88Å; K34-W142 HydrophobicContact CG-CZ2 3.3Å; K34-W142 PolarHBondContact NZ-O 2.78Å; L35-W142 WeakPolarHBondContact O-CZ2 3.24Å; L35-W142 PolarHBondContact O-NE1 3.36Å; W142-R144 HydrophobicContact CE3-CB 4.43Å; W142-R144 HydrophobicContact CH2-CB 4.14Å; W142-R144 HydrophobicContact CH2-CG 3.84Å; W142-R144 HydrophobicContact CZ3-CB 3.81Å; W142-R144 HydrophobicContact CZ3-CG 3.76Å
143T94Very high95.7Very high122 Ų12294.7 Ų94.775%0.74848%0.475SS*.  trans-102.5124.2179.1-56.60000109.7
144R93.5Very high95.6Very high35 Ų3599.1 Ų99.113%0.13250%0.497CS..  trans-81.3127.2177.5-159.9-175.9-171.8170.27.3109.9E29 G32 Y33 K34 W142 N146 N147E29-R144 PolarHBondContact O-NH2 2.91Å; G32-R144 PolarHBondContact O-NH1 3.31Å; Y33-R144 PolarHBondContact O-NH1 3.49Å; K34-R144 HydrophobicContact CD-CB 4.14Å; K34-R144 HydrophobicContact CG-CB 4.45Å; W142-R144 HydrophobicContact CE3-CB 4.43Å; W142-R144 HydrophobicContact CH2-CB 4.14Å; W142-R144 HydrophobicContact CH2-CG 3.84Å; W142-R144 HydrophobicContact CZ3-CB 3.81Å; W142-R144 HydrophobicContact CZ3-CG 3.76Å; R144-N146 VanDerWaalsContact C-N 3.28Å; R144-N146 WeakPolarHBondContact CD-OD1 3.48Å; R144-N146 WeakPolarHBondContact CG-OD1 3.38Å; R144-N146 PolarHBondContact NE-OD1 3.31Å; R144-N146 PolarHBondContact O-N 3.03Å; R144-N147 PolarHBondContact O-N 3.18Å
145T95.2Very high95.4Very high136 Ų136103.8 Ų103.883%0.83452%0.521SS*.THydrogen-bonded Turntrans-65.7-27.4-174.251.50000113.7
146N94.2Very high95.2Very high55 Ų55102.4 Ų102.429%0.29452%0.519SS..THydrogen-bonded Turntrans-95.813.7-178.973.6-19.1000114.3R144 P148 W149 T150R144-N146 VanDerWaalsContact C-N 3.28Å; R144-N146 WeakPolarHBondContact CD-OD1 3.48Å; R144-N146 WeakPolarHBondContact CG-OD1 3.38Å; R144-N146 PolarHBondContact NE-OD1 3.31Å; R144-N146 PolarHBondContact O-N 3.03Å; N146-P148 VanDerWaalsContact C-N 3.35Å; N146-W149 PolarHBondContact O-N 3.2Å; N146-T150 PolarHBondContact O-N 3.12Å; N146-T150 PolarHBondContact O-OG1 2.9Å
147N93.9Very high95.1Very high22 Ų22101.8 Ų101.812%0.11851%0.506CS..Hα-helixtrans-51.7-46.2174.8-86.6-1.8000112.9R144 W149 T150 Y151 L153R144-N147 PolarHBondContact O-N 3.18Å; N147-W149 PolarHBondContact O-N 2.61Å; N147-W149 VanDerWaalsContact O-N 3.12Å; N147-T150 PolarHBondContact O-N 3.35Å; N147-Y151 PolarHBondContact O-N 3.03Å; N147-L153 HydrophobicContact CB-CD1 4.26Å
148P95Very high94.9Very high93 Ų9399.4 Ų99.460%0.60450%0.497SS*.Hα-helixtrans-62.6-18.9178.2-24.135.4000114.8N146N146-P148 VanDerWaalsContact C-N 3.35Å
149W96.1Very high94.6Very high228 Ų228101.5 Ų101.586%0.86451%0.509SS*.Hα-helixtrans-97.6-7.5178-55106.3000112.9N146 N147N146-W149 PolarHBondContact O-N 3.2Å; N147-W149 PolarHBondContact O-N 2.61Å; N147-W149 VanDerWaalsContact O-N 3.12Å
150T95.4Very high94.3Very high52 Ų52107.2 Ų107.232%0.31954%0.538SS..Hα-helixtrans-108.3-36.4-178.8-51.80000111.3N146 N147N146-T150 PolarHBondContact O-N 3.12Å; N146-T150 PolarHBondContact O-OG1 2.9Å; N147-T150 PolarHBondContact O-N 3.35Å
151Y94.1Very high94Very high25 Ų25109.5 Ų109.510%0.09854%0.538CS..  trans-125.8136.9-177-56.1-68.8000109.9I3 G80 R81 N147 L153I3-Y151 HydrophobicContact CB-CD2 4.42Å; I3-Y151 HydrophobicContact CB-CE2 4.24Å; I3-Y151 HydrophobicContact CD1-CD2 4.18Å; I3-Y151 HydrophobicContact CD1-CE2 4.35Å; I3-Y151 HydrophobicContact CG2-CD1 3.7Å; I3-Y151 HydrophobicContact CG2-CD2 3.76Å; I3-Y151 HydrophobicContact CG2-CE1 3.91Å; I3-Y151 HydrophobicContact CG2-CE2 3.95Å; I3-Y151 HydrophobicContact CG2-CG 3.63Å; G80-Y151 WeakPolarHBondContact CA-OH 2.89Å; R81-Y151 HydrophobicContact CB-CD1 4.4Å; R81-Y151 HydrophobicContact CB-CE1 3.95Å; N147-Y151 PolarHBondContact O-N 3.03Å; Y151-L153 PolarHBondContact O-N 3.01Å
152E91.8Very high93.8Very high178 Ų178101.7 Ų101.783%0.83251%0.51SS*.  trans-73.6110.2156.8-169178.1-17400107.2R81R81-E152 PolarHBondContact NH2-O 2.7Å
153L84.4Confident93.4Very high162 Ų162100.7 Ų100.785%0.84852%0.517SS*.  trans-1150-176.5-65.7178.5000110.9I3 N147 Y151I3-L153 HydrophobicContact CD1-CD1 4.28Å; I3-L153 HydrophobicContact CD1-CD2 4.18Å; I3-L153 HydrophobicContact CG2-CD2 3.92Å; N147-L153 HydrophobicContact CB-CD1 4.26Å; Y151-L153 PolarHBondContact O-N 3.01Å

Retrieved 153 of 153 residues in 37.6 ms (Link to these results)

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