A0A060YZK4_ONCMY Loading...

Josephin-2

Cleaves 'Lys-63'-linked poly-ubiquitin chains, and with lesser efficiency 'Lys-48'-linked poly-ubiquitin chains (in vitro). May act as a deubiquitinating enzyme.

AlphaFold DB , UniProt , Accession A0A060YZK4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 184 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low76.3Confident241 Ų24197.8 Ų97.8100%1.18751%0.507SS*.  0118.70-69.5165.561.100105.9E3M1-E3 PolarHBondContact O-N 3.19Å
2S39.5Very low76.7Confident94 Ų94105.8 Ų105.866%0.65753%0.526SS*.  trans-62.9125.8-176.641.20000110.4G4S2-G4 PolarHBondContact O-N 3.48Å
3E46.9Very low77.1Confident208 Ų208107.9 Ų107.997%0.97254%0.539SS*.THydrogen-bonded Turntrans-56.3107162.2-72.5176.314900107.8M1M1-E3 PolarHBondContact O-N 3.19Å
4G61.3Low77.5Confident52 Ų52104.1 Ų104.154%0.53652%0.519SS..THydrogen-bonded Turntrans146.5-12.6171.400000118.1S2S2-G4 PolarHBondContact O-N 3.48Å
5E85.7Confident78.2Confident165 Ų16598.2 Ų98.277%0.77149%0.49SS*.PPolyproline II helixtrans-94.7124-179.7-162.2170.4-160.700111.7F7E5-F7 PolarHBondContact O-N 2.99Å
6V94.6Very high79Confident25 Ų2592.4 Ų92.415%0.15246%0.462CS..PPolyproline II helixtrans-72.1117.6174.71780000108.4H8 V124 Y129 L131 P138V6-H8 PolarHBondContact O-N 3.05Å; V6-V124 HydrophobicContact CG1-CG2 4.29Å; V6-V124 HydrophobicContact CG2-CB 4.22Å; V6-V124 HydrophobicContact CG2-CG1 4.03Å; V6-Y129 HydrophobicContact CG1-CG 4.44Å; V6-Y129 HydrophobicContact CG2-CD2 4.33Å; V6-Y129 HydrophobicContact CG2-CE1 4.27Å; V6-Y129 HydrophobicContact CG2-CE2 4.03Å; V6-L131 HydrophobicContact CG1-CD2 3.7Å; V6-P138 HydrophobicContact CB-CB 4.46Å; V6-P138 HydrophobicContact CB-CG 4.08Å; V6-P138 HydrophobicContact CG1-CB 3.98Å; V6-P138 HydrophobicContact CG1-CG 3.72Å
7F96.8Very high79.8Confident59 Ų5987.1 Ų87.126%0.25944%0.436SS..PPolyproline II helixtrans-64.5129.5177.4175.2-88.9000110.1E5 E9 N22 Q26 Q28E5-F7 PolarHBondContact O-N 2.99Å; F7-E9 HydrophobicContact CE1-CB 4.01Å; F7-E9 HydrophobicContact CZ-CB 4.03Å; F7-N22 HydrophobicContact CE1-CB 4Å; F7-N22 HydrophobicContact CZ-CB 4.43Å; F7-Q26 HydrophobicContact CB-CB 4.35Å; F7-Q26 PolarHBondContact O-NE2 3.49Å; F7-Q28 HydrophobicContact CE2-CB 4.08Å; F7-Q28 HydrophobicContact CZ-CB 3.81Å
8H96.6Very high80.6Confident34 Ų3482.5 Ų82.516%0.15741%0.412CS..  trans-145.4108.4179.4-172.2-128.7000112.1V6 D132 L135 P138V6-H8 PolarHBondContact O-N 3.05Å; H8-D132 PolarHBondContact NE2-O 3.47Å; H8-L135 PolarHBondContact CE1-O 3.05Å; H8-P138 HydrophobicContact CB-CG 3.59Å
9E94.7Very high81.4Confident30 Ų3078.5 Ų78.514%0.1439%0.392CS..PPolyproline II helixtrans-90.6120.9171.4-160.5179.8-152.900110.3F7 H19 N22 N23 Q28 S133F7-E9 HydrophobicContact CE1-CB 4.01Å; F7-E9 HydrophobicContact CZ-CB 4.03Å; E9-H19 WeakPolarHBondContact CG-ND1 3.44Å; E9-H19 IonicContact OE1-CE1 3.73Å; E9-H19 IonicContact OE1-ND1 2.87Å; E9-H19 IonicContact OE2-CE1 2.83Å; E9-H19 IonicContact OE2-CG 3.54Å; E9-H19 IonicContact OE2-ND1 3.55Å; E9-H19 PolarHBondContact OE2-ND1 3.11Å; E9-N22 WeakPolarHBondContact OE2-CB 3.02Å; E9-N22 PolarHBondContact OE2-ND2 3.26Å; E9-N23 WeakPolarHBondContact CB-OD1 3.33Å; E9-N23 PolarHBondContact N-OD1 3.29Å; E9-N23 PolarHBondContact O-ND2 2.89Å; E9-N23 VanDerWaalsContact O-ND2 3.1Å; E9-Q28 PolarHBondContact OE1-NE2 2.94Å; E9-S133 WeakPolarHBondContact O-CB 3.45Å
10K93Very high82.2Confident111 Ų11174.6 Ų74.648%0.48337%0.373SS..PPolyproline II helixtrans-84.2148.1179.1-62.7178.8-174.4176.90111.3R12 S133 K136K10-R12 PolarHBondContact O-N 2.97Å; K10-S133 CarbonylContact C-O 3.58Å; K10-S133 WeakPolarHBondContact CA-O 3.06Å; K10-K136 WeakPolarHBondContact CE-O 3.45Å; K10-K136 PolarHBondContact NZ-O 3.39Å
11Q86.5Confident82.9Confident57 Ų5771.2 Ų71.227%0.26636%0.356SS..PPolyproline II helixtrans-63.7130.5-174.4-171.3171-24.800111.2L13 H19 H117 S133 K134Q11-L13 PolarHBondContact NE2-O 3.1Å; Q11-H19 VanDerWaalsContact CA-CD2 3.5Å; Q11-H19 WeakPolarHBondContact CA-CD2 3.47Å; Q11-H117 PolarHBondContact OE1-CE1 3.4Å; Q11-S133 PolarHBondContact N-O 3.41Å; Q11-K134 VanDerWaalsContact OE1-CG 3.25Å
12R81.6Confident85.5Confident193 Ų19359.8 Ų59.873%0.72830%0.3SS*.  trans-119.3130.1164.6-60.8-177-177.9-1751.3108.5K10 E14 L15 H19K10-R12 PolarHBondContact O-N 2.97Å; R12-E14 PolarHBondContact O-N 3.08Å; R12-L15 WeakPolarHBondContact O-CB 3.39Å; R12-L15 WeakPolarHBondContact O-CG 3.4Å; R12-L15 PolarHBondContact O-N 3.36Å; R12-H19 PolarHBondContact N-NE2 2.7Å
13L82.3Confident88.3Confident134 Ų13455.3 Ų55.370%0.70227%0.268SS*.THydrogen-bonded Turntrans54.9-136.4179-53.1173.1000111.9Q11Q11-L13 PolarHBondContact NE2-O 3.1Å
14E82.1Confident90.7Very high54 Ų5445.4 Ų45.425%0.25222%0.222SC..BIsolated β-bridgetrans-100.327.1178.8-61.3-174.9130.100112.3R12 C16 T57 N59 R115R12-E14 PolarHBondContact O-N 3.08Å; E14-C16 VanDerWaalsContact C-N 3.28Å; E14-C16 PolarHBondContact O-N 3.14Å; E14-T57 PolarHBondContact OE2-OG1 3.48Å; E14-N59 HydrophobicContact CB-CB 4.26Å; E14-N59 WeakPolarHBondContact O-CA 3.46Å; E14-N59 PolarHBondContact O-N 3.09Å; E14-R115 IonicContact OE1-NH1 2.79Å; E14-R115 PolarHBondContact OE1-NH1 2.92Å
15L87.9Confident92.4Very high16 Ų1643.8 Ų43.88%0.08420%0.201CC..  trans-88.325.1-173.6-55.1175000114R12 A17 I18 H19 K32 Y60R12-L15 WeakPolarHBondContact O-CB 3.39Å; R12-L15 WeakPolarHBondContact O-CG 3.4Å; R12-L15 PolarHBondContact O-N 3.36Å; L15-A17 PolarHBondContact O-N 3.17Å; L15-A17 VanDerWaalsContact O-N 3.12Å; L15-I18 HydrophobicContact CB-CD1 4.39Å; L15-I18 HydrophobicContact CD2-CD1 4.07Å; L15-I18 WeakPolarHBondContact O-CB 3.4Å; L15-I18 PolarHBondContact O-N 3.37Å; L15-H19 PolarHBondContact O-CD2 3.16Å; L15-H19 PolarHBondContact O-N 2.84Å; L15-H19 VanDerWaalsContact O-N 3.15Å; L15-K32 HydrophobicContact CD1-CB 4.28Å; L15-K32 HydrophobicContact CD2-CB 4.37Å; L15-K32 HydrophobicContact CD2-CD 4.27Å; L15-K32 HydrophobicContact CD2-CG 4.1Å; L15-Y60 HydrophobicContact CD2-CE2 3.68Å
16C91.8Very high93Very high6 Ų637.9 Ų37.94%0.04117%0.174CC..Hα-helixtrans-55.9-33.6-174.356.20000113.9E14 H19 A20 H117 W118E14-C16 VanDerWaalsContact C-N 3.28Å; E14-C16 PolarHBondContact O-N 3.14Å; C16-H19 PolarHBondContact O-N 3.36Å; C16-A20 VanDerWaalsContact O-CB 3.31Å; C16-A20 WeakPolarHBondContact O-CB 2.86Å; C16-A20 PolarHBondContact O-N 3.15Å; C16-H117 WeakPolarHBondContact CB-ND1 3.33Å; C16-W118 HydrophobicContact CB-CB 4.44Å
17A92.8Very high93Very high2 Ų241.5 Ų41.52%0.01719%0.189CC..Hα-helixtrans-61.7-42.8175.100000112.9L15 A20 L21 Y60 I65 W118L15-A17 PolarHBondContact O-N 3.17Å; L15-A17 VanDerWaalsContact O-N 3.12Å; A17-A20 PolarHBondContact O-N 2.9Å; A17-L21 WeakPolarHBondContact O-CG 3.41Å; A17-L21 PolarHBondContact O-N 3.28Å; A17-Y60 HydrophobicContact CB-CD2 4.42Å; A17-I65 HydrophobicContact CB-CD1 4.1Å; A17-I65 HydrophobicContact CB-CG1 4.12Å; A17-W118 HydrophobicContact CB-CG 4.28Å
18I94.1Very high92.9Very high4 Ų444.5 Ų44.52%0.02120%0.204CC..Hα-helixtrans-66-47178.1-63-179.6000109.8L15 A20 L21 N22 F30 K32 A35 Y60L15-I18 HydrophobicContact CB-CD1 4.39Å; L15-I18 HydrophobicContact CD2-CD1 4.07Å; L15-I18 WeakPolarHBondContact O-CB 3.4Å; L15-I18 PolarHBondContact O-N 3.37Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 3.3Å; I18-L21 WeakPolarHBondContact O-CB 3.26Å; I18-L21 PolarHBondContact O-N 2.89Å; I18-L21 VanDerWaalsContact O-N 3.13Å; I18-N22 PolarHBondContact O-N 3.09Å; I18-F30 HydrophobicContact CG2-CB 3.97Å; I18-F30 WeakPolarHBondContact CG2-O 3.36Å; I18-K32 HydrophobicContact CD1-CB 4.41Å; I18-A35 HydrophobicContact CD1-CB 3.53Å; I18-A35 HydrophobicContact CG1-CB 3.89Å; I18-Y60 HydrophobicContact CD1-CD2 4.12Å; I18-Y60 HydrophobicContact CD1-CE2 3.47Å; I18-Y60 VanDerWaalsContact CD1-CE2 3.47Å; I18-Y60 HydrophobicContact CG1-CD2 3.95Å; I18-Y60 HydrophobicContact CG1-CE2 3.84Å
19H95.7Very high92.7Very high6 Ų644.8 Ų44.83%0.02821%0.208CC..Hα-helixtrans-65.3-36.4-179.9-57.7-46.2000111.6E9 Q11 R12 L15 C16 N22 N23E9-H19 WeakPolarHBondContact CG-ND1 3.44Å; E9-H19 IonicContact OE1-CE1 3.73Å; E9-H19 IonicContact OE1-ND1 2.87Å; E9-H19 IonicContact OE2-CE1 2.83Å; E9-H19 IonicContact OE2-CG 3.54Å; E9-H19 IonicContact OE2-ND1 3.55Å; E9-H19 PolarHBondContact OE2-ND1 3.11Å; Q11-H19 VanDerWaalsContact CA-CD2 3.5Å; Q11-H19 WeakPolarHBondContact CA-CD2 3.47Å; R12-H19 PolarHBondContact N-NE2 2.7Å; L15-H19 PolarHBondContact O-CD2 3.16Å; L15-H19 PolarHBondContact O-N 2.84Å; L15-H19 VanDerWaalsContact O-N 3.15Å; C16-H19 PolarHBondContact O-N 3.36Å; H19-N22 PolarHBondContact O-N 3.1Å; H19-N23 WeakPolarHBondContact O-CB 3.48Å; H19-N23 PolarHBondContact O-N 3.24Å; H19-N23 PolarHBondContact O-ND2 2.62Å
20A97.3Very high92.6Very high1 Ų143.8 Ų43.81%0.00820%0.203CC..Hα-helixtrans-61.8-44.1171.900000111.6C16 A17 I18 V24 I97 W118 A120C16-A20 VanDerWaalsContact O-CB 3.31Å; C16-A20 WeakPolarHBondContact O-CB 2.86Å; C16-A20 PolarHBondContact O-N 3.15Å; A17-A20 PolarHBondContact O-N 2.9Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 3.3Å; A20-V24 WeakPolarHBondContact O-CB 3.27Å; A20-V24 WeakPolarHBondContact O-CG1 3.38Å; A20-V24 PolarHBondContact O-N 3.37Å; A20-I97 HydrophobicContact CB-CG2 4.34Å; A20-W118 HydrophobicContact CB-CB 4Å; A20-A120 HydrophobicContact CB-CB 4.32Å; A20-A120 WeakPolarHBondContact O-CB 3.32Å
21L97.3Very high92.6Very high4 Ų441 Ų412%0.02120%0.195CC..Hα-helixtrans-60.4-49.8174.9-75.7164000112.2A17 I18 N23 V24 L25 F30 I65 A68 L69 I97A17-L21 WeakPolarHBondContact O-CG 3.41Å; A17-L21 PolarHBondContact O-N 3.28Å; I18-L21 WeakPolarHBondContact O-CB 3.26Å; I18-L21 PolarHBondContact O-N 2.89Å; I18-L21 VanDerWaalsContact O-N 3.13Å; L21-N23 PolarHBondContact O-N 3.13Å; L21-V24 WeakPolarHBondContact O-CG1 2.95Å; L21-V24 PolarHBondContact O-N 2.9Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.66Å; L21-F30 HydrophobicContact CB-CD2 3.76Å; L21-F30 HydrophobicContact CB-CE2 4.21Å; L21-F30 HydrophobicContact CD1-CD2 4.11Å; L21-F30 HydrophobicContact CD1-CE2 4.45Å; L21-F30 HydrophobicContact CD1-CG 4.43Å; L21-F30 HydrophobicContact CD2-CE2 4.47Å; L21-F30 HydrophobicContact CG-CD2 4.44Å; L21-I65 HydrophobicContact CD2-CG2 4Å; L21-A68 HydrophobicContact CD1-CB 3.52Å; L21-A68 HydrophobicContact CD2-CB 4.03Å; L21-A68 HydrophobicContact CG-CB 4.44Å; L21-L69 HydrophobicContact CD2-CD1 4.4Å; L21-L69 HydrophobicContact CD2-CD2 3.79Å; L21-L69 HydrophobicContact CD2-CG 3.75Å; L21-I97 HydrophobicContact CD2-CD1 4.22Å
22N97.2Very high92.6Very high0 Ų041.2 Ų41.20%020%0.195CC..Hα-helixtrans-65.2-41.8-179.5-70.3-18.7000111.7F7 E9 I18 H19 L25 Q26 E27 V29 F30F7-N22 HydrophobicContact CE1-CB 4Å; F7-N22 HydrophobicContact CZ-CB 4.43Å; E9-N22 WeakPolarHBondContact OE2-CB 3.02Å; E9-N22 PolarHBondContact OE2-ND2 3.26Å; I18-N22 PolarHBondContact O-N 3.09Å; H19-N22 PolarHBondContact O-N 3.1Å; N22-L25 CarbonylContact O-C 3.6Å; N22-L25 PolarHBondContact O-N 3.01Å; N22-Q26 PolarHBondContact O-N 2.68Å; N22-E27 CarbonylContact C-O 3.56Å; N22-E27 WeakPolarHBondContact CA-O 3.34Å; N22-E27 VanDerWaalsContact CB-O 3.25Å; N22-E27 WeakPolarHBondContact CB-O 3.49Å; N22-E27 PolarHBondContact O-N 3.26Å; N22-E27 VanDerWaalsContact O-N 3.12Å; N22-E27 VanDerWaalsContact O-O 3.11Å; N22-V29 PolarHBondContact OD1-N 3.05Å; N22-F30 PolarHBondContact ND2-O 3.07Å; N22-F30 PolarHBondContact OD1-N 2.57Å
23N98Very high92.9Very high0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-65.6-44178.2-71.9-11.2000112.1E9 H19 L21 L25 Q26 A120 L131E9-N23 WeakPolarHBondContact CB-OD1 3.33Å; E9-N23 PolarHBondContact N-OD1 3.29Å; E9-N23 PolarHBondContact O-ND2 2.89Å; E9-N23 VanDerWaalsContact O-ND2 3.1Å; H19-N23 WeakPolarHBondContact O-CB 3.48Å; H19-N23 PolarHBondContact O-N 3.24Å; H19-N23 PolarHBondContact O-ND2 2.62Å; L21-N23 PolarHBondContact O-N 3.13Å; N23-L25 VanDerWaalsContact C-N 3.28Å; N23-L25 PolarHBondContact O-N 3.14Å; N23-Q26 PolarHBondContact O-N 2.89Å; N23-Q26 PolarHBondContact O-NE2 3.22Å; N23-A120 HydrophobicContact CB-CB 3.86Å; N23-L131 HydrophobicContact CB-CB 3.79Å; N23-L131 HydrophobicContact CB-CD1 4.12Å; N23-L131 PolarHBondContact ND2-O 3.25Å; N23-L131 VanDerWaalsContact O-CD1 3.31Å; N23-L131 WeakPolarHBondContact O-CD1 3.2Å
24V98.1Very high93.1Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-67.4-32.7178.477.80000111.9A20 L21 Q26 I97 A120 R122 V165A20-V24 WeakPolarHBondContact O-CB 3.27Å; A20-V24 WeakPolarHBondContact O-CG1 3.38Å; A20-V24 PolarHBondContact O-N 3.37Å; L21-V24 WeakPolarHBondContact O-CG1 2.95Å; L21-V24 PolarHBondContact O-N 2.9Å; V24-Q26 VanDerWaalsContact C-N 3.32Å; V24-I97 HydrophobicContact CB-CG1 4.44Å; V24-I97 HydrophobicContact CG1-CD1 4.09Å; V24-I97 HydrophobicContact CG1-CG1 4.21Å; V24-A120 HydrophobicContact CB-CB 3.95Å; V24-R122 WeakPolarHBondContact O-CD 3.31Å; V24-R122 PolarHBondContact O-NE 3.13Å; V24-V165 HydrophobicContact CG1-CG2 4.22Å; V24-V165 HydrophobicContact CG2-CB 4.44Å; V24-V165 HydrophobicContact CG2-CG2 4.11Å
25L97.2Very high93.2Very high18 Ų1831.3 Ų31.39%0.09416%0.158CC..Hα-helixtrans-81.4-10.3176.4-64.2177.3000113.6L21 N22 N23 E27 V29 F30 L69 L74L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.66Å; N22-L25 CarbonylContact O-C 3.6Å; N22-L25 PolarHBondContact O-N 3.01Å; N23-L25 VanDerWaalsContact C-N 3.28Å; N23-L25 PolarHBondContact O-N 3.14Å; L25-E27 PolarHBondContact O-N 3.37Å; L25-V29 HydrophobicContact CD1-CG2 4.15Å; L25-F30 HydrophobicContact CD1-CD2 4.35Å; L25-F30 HydrophobicContact CD1-CE2 3.64Å; L25-L69 HydrophobicContact CD2-CD2 4.47Å; L25-L74 HydrophobicContact CD2-CD1 3.49Å; L25-L74 VanDerWaalsContact CD2-CD1 3.49Å
26Q97.1Very high93Very high42 Ų4231.3 Ų31.320%0.19616%0.158CC..THydrogen-bonded Turntrans57.933-176.3-69-70.5-73.600113.8F7 N22 N23 V24 R122 V124F7-Q26 HydrophobicContact CB-CB 4.35Å; F7-Q26 PolarHBondContact O-NE2 3.49Å; N22-Q26 PolarHBondContact O-N 2.68Å; N23-Q26 PolarHBondContact O-N 2.89Å; N23-Q26 PolarHBondContact O-NE2 3.22Å; V24-Q26 VanDerWaalsContact C-N 3.32Å; Q26-R122 HydrophobicContact CG-CG 3.93Å; Q26-V124 HydrophobicContact CG-CG2 3.92Å
27E95.3Very high92.7Very high101 Ų10134.9 Ų34.947%0.47218%0.176SC..SBendtrans-156.8147.4-178.6-176.9-179-161.900109.7N22 L25 V29 R72N22-E27 CarbonylContact C-O 3.56Å; N22-E27 WeakPolarHBondContact CA-O 3.34Å; N22-E27 VanDerWaalsContact CB-O 3.25Å; N22-E27 WeakPolarHBondContact CB-O 3.49Å; N22-E27 PolarHBondContact O-N 3.26Å; N22-E27 VanDerWaalsContact O-N 3.12Å; N22-E27 VanDerWaalsContact O-O 3.11Å; L25-E27 PolarHBondContact O-N 3.37Å; E27-V29 HydrophobicContact CB-CG2 3.82Å; E27-V29 HydrophobicContact CG-CG2 3.83Å; E27-V29 PolarHBondContact O-N 3.39Å; E27-V29 VanDerWaalsContact O-N 3.12Å; E27-R72 IonicContact OE2-CZ 3.77Å; E27-R72 IonicContact OE2-NH1 3.64Å; E27-R72 IonicContact OE2-NH2 2.73Å; E27-R72 PolarHBondContact OE2-NH2 2.73Å
28Q94.1Very high92.2Very high122 Ų12235.1 Ų35.157%0.5718%0.177SC*.  trans-81.388.1172-167.2177.72700110.5F7 E9F7-Q28 HydrophobicContact CE2-CB 4.08Å; F7-Q28 HydrophobicContact CZ-CB 3.81Å; E9-Q28 PolarHBondContact OE1-NE2 2.94Å
29V92.9Very high91.6Very high39 Ų3934.9 Ų34.924%0.23618%0.176CC..  trans-100.6-41.6-173.8-174.30000111.4N22 L25 E27N22-V29 PolarHBondContact OD1-N 3.05Å; L25-V29 HydrophobicContact CD1-CG2 4.15Å; E27-V29 HydrophobicContact CB-CG2 3.82Å; E27-V29 HydrophobicContact CG-CG2 3.83Å; E27-V29 PolarHBondContact O-N 3.39Å; E27-V29 VanDerWaalsContact O-N 3.12Å
30F93.1Very high90.7Very high10 Ų1039.9 Ų39.94%0.04420%0.198CC..  trans-106.7132.3-173.9-60.6-73.8000109.7I18 L21 N22 L25 T34 I38 A68 R72I18-F30 HydrophobicContact CG2-CB 3.97Å; I18-F30 WeakPolarHBondContact CG2-O 3.36Å; L21-F30 HydrophobicContact CB-CD2 3.76Å; L21-F30 HydrophobicContact CB-CE2 4.21Å; L21-F30 HydrophobicContact CD1-CD2 4.11Å; L21-F30 HydrophobicContact CD1-CE2 4.45Å; L21-F30 HydrophobicContact CD1-CG 4.43Å; L21-F30 HydrophobicContact CD2-CE2 4.47Å; L21-F30 HydrophobicContact CG-CD2 4.44Å; N22-F30 PolarHBondContact ND2-O 3.07Å; N22-F30 PolarHBondContact OD1-N 2.57Å; L25-F30 HydrophobicContact CD1-CD2 4.35Å; L25-F30 HydrophobicContact CD1-CE2 3.64Å; F30-T34 WeakPolarHBondContact CA-OG1 3.33Å; F30-I38 HydrophobicContact CD1-CD1 4.3Å; F30-I38 HydrophobicContact CE1-CD1 4.26Å; F30-A68 HydrophobicContact CD1-CB 4.2Å; F30-A68 HydrophobicContact CE1-CB 3.68Å; F30-A68 HydrophobicContact CE2-CB 4.06Å; F30-A68 HydrophobicContact CZ-CB 3.61Å; F30-A68 WeakPolarHBondContact CZ-O 3.45Å; F30-R72 HydrophobicContact CZ-CG 3.94Å
31T91.8Very high89.8Confident53 Ų5347.9 Ų47.933%0.32523%0.228SC..  trans-112.8170.8168.576.20000110.1E33 T34 A35T31-E33 WeakPolarHBondContact CB-OE2 3.45Å; T31-E33 PolarHBondContact O-N 3Å; T31-E33 PolarHBondContact OG1-N 3.04Å; T31-E33 PolarHBondContact OG1-OE2 2.73Å; T31-T34 PolarHBondContact N-OG1 2.91Å; T31-T34 PolarHBondContact O-N 3.43Å; T31-T34 PolarHBondContact O-OG1 2.82Å; T31-T34 PolarHBondContact OG1-N 3.05Å; T31-A35 WeakPolarHBondContact O-CB 3.47Å; T31-A35 PolarHBondContact O-N 3.33Å
32K87.6Confident88.8Confident61 Ų6151.1 Ų51.127%0.26525%0.245SC..Hα-helixtrans-54-40.6174-177.3179.9178.2-65.60111.6L15 I18 A35 D36 G56 Y60L15-K32 HydrophobicContact CD1-CB 4.28Å; L15-K32 HydrophobicContact CD2-CB 4.37Å; L15-K32 HydrophobicContact CD2-CD 4.27Å; L15-K32 HydrophobicContact CD2-CG 4.1Å; I18-K32 HydrophobicContact CD1-CB 4.41Å; K32-A35 PolarHBondContact O-N 3.44Å; K32-D36 IonicContact NZ-OD2 3.3Å; K32-D36 PolarHBondContact NZ-OD2 2.79Å; K32-D36 VanDerWaalsContact O-CB 3.3Å; K32-D36 WeakPolarHBondContact O-CB 3.18Å; K32-D36 PolarHBondContact O-N 2.83Å; K32-G56 WeakPolarHBondContact CE-O 3.15Å; K32-G56 PolarHBondContact NZ-O 2.91Å; K32-Y60 WeakPolarHBondContact CG-OH 3.3Å; K32-Y60 PolarHBondContact O-OH 3.46Å
33E87.4Confident87.4Confident117 Ų11751.7 Ų51.755%0.54725%0.249SC..Hα-helixtrans-63.1-49.3179.7-60.267.6-14300110.5T31 A35 D36 D37T31-E33 WeakPolarHBondContact CB-OE2 3.45Å; T31-E33 PolarHBondContact O-N 3Å; T31-E33 PolarHBondContact OG1-N 3.04Å; T31-E33 PolarHBondContact OG1-OE2 2.73Å; E33-A35 VanDerWaalsContact C-N 3.33Å; E33-A35 PolarHBondContact O-N 3.5Å; E33-D36 PolarHBondContact O-N 3.19Å; E33-D37 PolarHBondContact O-N 3.2Å
34T87.3Confident85.6Confident52 Ų5256.3 Ų56.332%0.31928%0.28SS..Hα-helixtrans-64.2-36.8178.163.90000112.5F30 T31 D37 I38F30-T34 WeakPolarHBondContact CA-OG1 3.33Å; T31-T34 PolarHBondContact N-OG1 2.91Å; T31-T34 PolarHBondContact O-N 3.43Å; T31-T34 PolarHBondContact O-OG1 2.82Å; T31-T34 PolarHBondContact OG1-N 3.05Å; T34-D37 PolarHBondContact O-N 3.14Å; T34-I38 WeakPolarHBondContact O-CG1 3.29Å; T34-I38 PolarHBondContact O-N 3.45Å
35A84.1Confident83.7Confident3 Ų364.9 Ų64.93%0.02532%0.319CS..Hα-helixtrans-68.5-40.5175.500000111.6I18 T31 K32 E33 D37 I38 C39 Y60 V64I18-A35 HydrophobicContact CD1-CB 3.53Å; I18-A35 HydrophobicContact CG1-CB 3.89Å; T31-A35 WeakPolarHBondContact O-CB 3.47Å; T31-A35 PolarHBondContact O-N 3.33Å; K32-A35 PolarHBondContact O-N 3.44Å; E33-A35 VanDerWaalsContact C-N 3.33Å; E33-A35 PolarHBondContact O-N 3.5Å; A35-D37 VanDerWaalsContact C-N 3.27Å; A35-D37 PolarHBondContact O-N 3.04Å; A35-I38 WeakPolarHBondContact O-CB 3.01Å; A35-I38 PolarHBondContact O-N 2.81Å; A35-C39 PolarHBondContact O-N 2.95Å; A35-C39 PolarHBondContact O-SG 2.92Å; A35-Y60 HydrophobicContact CB-CD1 4.37Å; A35-Y60 HydrophobicContact CB-CD2 4.39Å; A35-Y60 HydrophobicContact CB-CE1 3.84Å; A35-Y60 HydrophobicContact CB-CE2 3.9Å; A35-V64 HydrophobicContact CB-CG1 4.37Å
36D82.8Confident81.7Confident17 Ų1767.2 Ų67.29%0.09134%0.337CS..Hα-helixtrans-62.3-35.2174.4-75.8-22.3000111.5K32 E33 C39 K40 R52 Y60K32-D36 IonicContact NZ-OD2 3.3Å; K32-D36 PolarHBondContact NZ-OD2 2.79Å; K32-D36 VanDerWaalsContact O-CB 3.3Å; K32-D36 WeakPolarHBondContact O-CB 3.18Å; K32-D36 PolarHBondContact O-N 2.83Å; E33-D36 PolarHBondContact O-N 3.19Å; D36-C39 WeakPolarHBondContact O-CB 3.49Å; D36-C39 PolarHBondContact O-N 3.35Å; D36-K40 WeakPolarHBondContact O-CG 3.35Å; D36-K40 PolarHBondContact O-N 2.92Å; D36-R52 IonicContact OD1-CZ 2.77Å; D36-R52 IonicContact OD1-NH1 3.71Å; D36-R52 PolarHBondContact OD1-NH1 2.94Å; D36-R52 IonicContact OD2-NH1 2.99Å; D36-R52 PolarHBondContact OD2-NH1 2.8Å; D36-Y60 PolarHBondContact OD1-OH 3.27Å
37D84.8Confident79.8Confident80 Ų8072.7 Ų72.743%0.42837%0.373SS..Hα-helixtrans-72.8-35.6174.2-70.4-20.4000112.9E33 T34 A35 C39 K40 R41E33-D37 PolarHBondContact O-N 3.2Å; T34-D37 PolarHBondContact O-N 3.14Å; A35-D37 VanDerWaalsContact C-N 3.27Å; A35-D37 PolarHBondContact O-N 3.04Å; D37-C39 VanDerWaalsContact C-N 3.33Å; D37-K40 PolarHBondContact O-N 2.82Å; D37-K40 IonicContact OD1-NZ 3.9Å; D37-K40 PolarHBondContact OD1-NZ 3.46Å; D37-R41 WeakPolarHBondContact O-CG 3.42Å; D37-R41 PolarHBondContact O-N 2.9Å; D37-R41 VanDerWaalsContact O-N 3.1Å
38I84Confident78.1Confident7 Ų772.1 Ų72.14%0.03638%0.376CS..Hα-helixtrans-58-48.5168.3-69.9163.6000109.8F30 T34 A35 K40 R41 L42 V64 A67 A68F30-I38 HydrophobicContact CD1-CD1 4.3Å; F30-I38 HydrophobicContact CE1-CD1 4.26Å; T34-I38 WeakPolarHBondContact O-CG1 3.29Å; T34-I38 PolarHBondContact O-N 3.45Å; A35-I38 WeakPolarHBondContact O-CB 3.01Å; A35-I38 PolarHBondContact O-N 2.81Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.49Å; I38-R41 PolarHBondContact O-N 2.78Å; I38-R41 VanDerWaalsContact O-N 3.16Å; I38-L42 HydrophobicContact CG2-CD1 3.92Å; I38-L42 HydrophobicContact CG2-CG 4.4Å; I38-L42 WeakPolarHBondContact O-CG 3.35Å; I38-L42 PolarHBondContact O-N 3.46Å; I38-V64 HydrophobicContact CB-CG1 4.43Å; I38-V64 HydrophobicContact CG2-CG1 4.02Å; I38-A67 HydrophobicContact CG2-CB 3.6Å; I38-A68 HydrophobicContact CD1-CB 3.86Å
39C79.9Confident76.4Confident0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-57.4-45178-69.70000112.4A35 D36 D37 R41 L42 A43 N49 Y60 V64A35-C39 PolarHBondContact O-N 2.95Å; A35-C39 PolarHBondContact O-SG 2.92Å; D36-C39 WeakPolarHBondContact O-CB 3.49Å; D36-C39 PolarHBondContact O-N 3.35Å; D37-C39 VanDerWaalsContact C-N 3.33Å; C39-R41 VanDerWaalsContact C-N 3.32Å; C39-R41 PolarHBondContact O-N 3.09Å; C39-L42 PolarHBondContact O-N 3.19Å; C39-A43 PolarHBondContact O-N 3.35Å; C39-A43 VanDerWaalsContact O-N 3.09Å; C39-N49 WeakPolarHBondContact CB-ND2 3.41Å; C39-N49 PolarHBondContact O-ND2 2.75Å; C39-Y60 VanDerWaalsContact SG-CD1 3.53Å; C39-V64 WeakPolarHBondContact SG-CG2 3.41Å
40K77.6Confident74.9Confident111 Ų11169.1 Ų69.148%0.48337%0.367SS..Hα-helixtrans-61.1-40.2177.8-70.6170.3-160.9157.60111.9D36 D37 I38 A43 P44D36-K40 WeakPolarHBondContact O-CG 3.35Å; D36-K40 PolarHBondContact O-N 2.92Å; D37-K40 PolarHBondContact O-N 2.82Å; D37-K40 IonicContact OD1-NZ 3.9Å; D37-K40 PolarHBondContact OD1-NZ 3.46Å; I38-K40 VanDerWaalsContact C-N 3.34Å; I38-K40 PolarHBondContact O-N 3.49Å; K40-A43 CarbonylContact O-C 3.6Å; K40-A43 PolarHBondContact O-N 3.33Å; K40-P44 WeakPolarHBondContact O-CA 3.3Å; K40-P44 VanDerWaalsContact O-N 3.08Å
41R79Confident73.3Confident169 Ų16970 Ų7064%0.63837%0.371SS*.Hα-helixtrans-68.2-35.1177.6-70.2-175.5-57.5153.35.2112.8D37 I38 C39 A43D37-R41 WeakPolarHBondContact O-CG 3.42Å; D37-R41 PolarHBondContact O-N 2.9Å; D37-R41 VanDerWaalsContact O-N 3.1Å; I38-R41 PolarHBondContact O-N 2.78Å; I38-R41 VanDerWaalsContact O-N 3.16Å; C39-R41 VanDerWaalsContact C-N 3.32Å; C39-R41 PolarHBondContact O-N 3.09Å; R41-A43 VanDerWaalsContact C-N 3.34Å
42L75.6Confident72Confident72 Ų7271.2 Ų71.238%0.37737%0.37SS..Hα-helixtrans-69.7-31.1176.6-70.6172.7000112.5I38 C39 N63 V64 A67I38-L42 HydrophobicContact CG2-CD1 3.92Å; I38-L42 HydrophobicContact CG2-CG 4.4Å; I38-L42 WeakPolarHBondContact O-CG 3.35Å; I38-L42 PolarHBondContact O-N 3.46Å; C39-L42 PolarHBondContact O-N 3.19Å; L42-N63 HydrophobicContact CD1-CB 4.01Å; L42-V64 HydrophobicContact CD1-CG2 4.38Å; L42-A67 HydrophobicContact CD1-CB 4.19Å; L42-A67 HydrophobicContact CD2-CB 4.24Å; L42-A67 HydrophobicContact CG-CB 4.48Å
43A68.5Low70.8Confident11 Ų1169.6 Ų69.69%0.09137%0.367CS..SBendtrans-135.568.6-179.900000111.9C39 K40 R41 Q45 C46 P50C39-A43 PolarHBondContact O-N 3.35Å; C39-A43 VanDerWaalsContact O-N 3.09Å; K40-A43 CarbonylContact O-C 3.6Å; K40-A43 PolarHBondContact O-N 3.33Å; R41-A43 VanDerWaalsContact C-N 3.34Å; A43-Q45 PolarHBondContact O-N 3.33Å; A43-C46 HydrophobicContact CB-CB 4.05Å; A43-C46 PolarHBondContact O-N 3.1Å; A43-P50 HydrophobicContact CB-CG 4.39Å
44P60.7Low69.1Low98 Ų9871.7 Ų71.764%0.63638%0.378SS*.THydrogen-bonded Turntrans-69-20-170.225.8-33.2000113.8K40K40-P44 WeakPolarHBondContact O-CA 3.3Å; K40-P44 VanDerWaalsContact O-N 3.08Å
45Q58Low67.6Low179 Ų17976.5 Ų76.584%0.83640%0.401SS*.THydrogen-bonded Turntrans-100.54.3-177-55.6-61.7-7.400113.4A43A43-Q45 PolarHBondContact O-N 3.33Å
46C55Low66.5Low68 Ų6877.4 Ų77.446%0.45941%0.411SS..  trans-105.5119.4-173-62.80000111.6A43 V48A43-C46 HydrophobicContact CB-CB 4.05Å; A43-C46 PolarHBondContact O-N 3.1Å; C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 WeakPolarHBondContact CB-O 3.43Å
47V56.9Low65.6Low157 Ų15779.1 Ų79.195%0.95242%0.422SS*.SBendtrans-68.6-34.7174.1-173.60000111.1
48V59.3Low64.6Low88 Ų8875.3 Ų75.353%0.53340%0.402SS..SBendtrans-103.7116.8168.2179.70000108.1C46 P50 M54C46-V48 VanDerWaalsContact C-N 3.33Å; C46-V48 WeakPolarHBondContact CB-O 3.43Å; V48-P50 WeakPolarHBondContact O-CD 3.46Å; V48-M54 HydrophobicContact CG1-CG 3.89Å; V48-M54 HydrophobicContact CG1-SD 3.48Å; V48-M54 WeakPolarHBondContact CG1-SD 3.42Å
49N57.5Low64.4Low12 Ų1278.5 Ų78.56%0.06442%0.419CS..  trans-81.3119-177.4-166.1-65.5000110.6C39 H51 R52C39-N49 WeakPolarHBondContact CB-ND2 3.41Å; C39-N49 PolarHBondContact O-ND2 2.75Å; N49-H51 PolarHBondContact O-N 2.72Å; N49-H51 WeakPolarHBondContact OD1-CB 3.45Å; N49-H51 PolarHBondContact OD1-N 3Å; N49-R52 HydrophobicContact CB-CG 4.14Å
50P61.6Low64.6Low86 Ų8678.5 Ų78.556%0.55842%0.419SS*.THydrogen-bonded Turntrans-70.6-14.2-175.729.4-34.7000113.4A43 V48A43-P50 HydrophobicContact CB-CG 4.39Å; V48-P50 WeakPolarHBondContact O-CD 3.46Å
51H60.7Low65Low29 Ų2975.5 Ų75.513%0.13441%0.408CS..THydrogen-bonded Turntrans-94.410.3-173.8-52.4-61.1000113.6N49 Y60 D61 V64N49-H51 PolarHBondContact O-N 2.72Å; N49-H51 WeakPolarHBondContact OD1-CB 3.45Å; N49-H51 PolarHBondContact OD1-N 3Å; H51-Y60 WeakPolarHBondContact O-CA 3.38Å; H51-D61 IonicContact CE1-OD2 3.15Å; H51-D61 IonicContact CG-OD2 3.69Å; H51-D61 IonicContact ND1-OD1 2.89Å; H51-D61 IonicContact ND1-OD2 2.66Å; H51-D61 PolarHBondContact ND1-OD2 3.11Å; H51-D61 PolarHBondContact O-N 3.11Å; H51-V64 HydrophobicContact CB-CG2 3.93Å
52R64.5Low65.4Low78 Ų7868.8 Ų68.829%0.29439%0.386SS..SBendtrans-150.2160.317467-179.2-172.7-178.60.6111.6D36 N49 M54 Y60D36-R52 IonicContact OD1-CZ 2.77Å; D36-R52 IonicContact OD1-NH1 3.71Å; D36-R52 PolarHBondContact OD1-NH1 2.94Å; D36-R52 IonicContact OD2-NH1 2.99Å; D36-R52 PolarHBondContact OD2-NH1 2.8Å; N49-R52 HydrophobicContact CB-CG 4.14Å; R52-M54 PolarHBondContact O-N 3.18Å; R52-Y60 HydrophobicContact CB-CD1 4.07Å; R52-Y60 HydrophobicContact CB-CE1 4.09Å
53S62.8Low66Low28 Ų2868.5 Ų68.520%0.19639%0.385CS..  trans-55.7136.6171.8-72.50000111.2L55 G56 G58 N59S53-L55 PolarHBondContact O-N 2.64Å; S53-G56 PolarHBondContact O-N 3.3Å; S53-G58 VanDerWaalsContact CB-O 3.25Å; S53-G58 WeakPolarHBondContact CB-O 3.02Å; S53-G58 PolarHBondContact N-O 3.18Å; S53-G58 VanDerWaalsContact N-O 3.13Å; S53-G58 PolarHBondContact OG-O 3.29Å; S53-N59 WeakPolarHBondContact OG-CB 3.45Å
54M50.9Low67Low160 Ų16068.1 Ų68.179%0.78838%0.382SS*.THydrogen-bonded Turntrans-57.6-24.5-179.2-62.1-145.3-56.700113.6V48 R52 G56V48-M54 HydrophobicContact CG1-CG 3.89Å; V48-M54 HydrophobicContact CG1-SD 3.48Å; V48-M54 WeakPolarHBondContact CG1-SD 3.42Å; R52-M54 PolarHBondContact O-N 3.18Å; M54-G56 VanDerWaalsContact C-N 3.28Å; M54-G56 PolarHBondContact O-N 3.41Å
55L56.7Low68.6Low153 Ų15363.5 Ų63.580%0.80135%0.351SS*.THydrogen-bonded Turntrans-82.40.3178-59.4179000113.6S53 T57S53-L55 PolarHBondContact O-N 2.64Å; L55-T57 HydrophobicContact CB-CG2 3.98Å; L55-T57 PolarHBondContact O-N 2.61Å
56G60.1Low70.2Confident23 Ų2357.8 Ų57.824%0.23733%0.325CS..SBendtrans67.315.917800000114.8K32 S53 M54 G58K32-G56 WeakPolarHBondContact CE-O 3.15Å; K32-G56 PolarHBondContact NZ-O 2.91Å; S53-G56 PolarHBondContact O-N 3.3Å; M54-G56 VanDerWaalsContact C-N 3.28Å; M54-G56 PolarHBondContact O-N 3.41Å; G56-G58 VanDerWaalsContact C-N 3.3Å; G56-G58 PolarHBondContact O-N 3.18Å
57T63.2Low72Confident52 Ų5255.1 Ų55.132%0.31931%0.308SS..SBendtrans-77.2-12-176.549.80000114.2E14 L55E14-T57 PolarHBondContact OE2-OG1 3.48Å; L55-T57 HydrophobicContact CB-CG2 3.98Å; L55-T57 PolarHBondContact O-N 2.61Å
58G65.3Low73.7Confident1 Ų147.7 Ų47.71%0.0126%0.263CS..BIsolated β-bridgetrans118.1-151.8-168.400000111.1S53 G56S53-G58 VanDerWaalsContact CB-O 3.25Å; S53-G58 WeakPolarHBondContact CB-O 3.02Å; S53-G58 PolarHBondContact N-O 3.18Å; S53-G58 VanDerWaalsContact N-O 3.13Å; S53-G58 PolarHBondContact OG-O 3.29Å; G56-G58 VanDerWaalsContact C-N 3.3Å; G56-G58 PolarHBondContact O-N 3.18Å
59N79.1Confident75.4Confident73 Ų7343.5 Ų43.539%0.3924%0.238SC..  trans71.758.6-174.6-163.829.5000113.9E14 S53E14-N59 HydrophobicContact CB-CB 4.26Å; E14-N59 WeakPolarHBondContact O-CA 3.46Å; E14-N59 PolarHBondContact O-N 3.09Å; S53-N59 WeakPolarHBondContact OG-CB 3.45Å
60Y83.4Confident77.2Confident1 Ų147.8 Ų47.80%0.00426%0.257CS..  trans-72.3141.3175.9-56.2-77.8000111.5L15 A17 I18 K32 A35 D36 C39 H51 R52 V64 W118L15-Y60 HydrophobicContact CD2-CE2 3.68Å; A17-Y60 HydrophobicContact CB-CD2 4.42Å; I18-Y60 HydrophobicContact CD1-CD2 4.12Å; I18-Y60 HydrophobicContact CD1-CE2 3.47Å; I18-Y60 VanDerWaalsContact CD1-CE2 3.47Å; I18-Y60 HydrophobicContact CG1-CD2 3.95Å; I18-Y60 HydrophobicContact CG1-CE2 3.84Å; K32-Y60 WeakPolarHBondContact CG-OH 3.3Å; K32-Y60 PolarHBondContact O-OH 3.46Å; A35-Y60 HydrophobicContact CB-CD1 4.37Å; A35-Y60 HydrophobicContact CB-CD2 4.39Å; A35-Y60 HydrophobicContact CB-CE1 3.84Å; A35-Y60 HydrophobicContact CB-CE2 3.9Å; D36-Y60 PolarHBondContact OD1-OH 3.27Å; C39-Y60 VanDerWaalsContact SG-CD1 3.53Å; H51-Y60 WeakPolarHBondContact O-CA 3.38Å; R52-Y60 HydrophobicContact CB-CD1 4.07Å; R52-Y60 HydrophobicContact CB-CE1 4.09Å; Y60-V64 HydrophobicContact CD1-CG1 4.08Å; Y60-V64 HydrophobicContact CD1-CG2 4.07Å; Y60-V64 HydrophobicContact CG-CG1 4.14Å; Y60-V64 HydrophobicContact CG-CG2 4.45Å; Y60-W118 PolarHBondContact O-NE1 3.29Å
61D86.6Confident78.7Confident47 Ų4747.1 Ų47.125%0.25126%0.255SS..  trans-81.9-178.9175.476.415.2000112.4H51 N63 V64H51-D61 IonicContact CE1-OD2 3.15Å; H51-D61 IonicContact CG-OD2 3.69Å; H51-D61 IonicContact ND1-OD1 2.89Å; H51-D61 IonicContact ND1-OD2 2.66Å; H51-D61 PolarHBondContact ND1-OD2 3.11Å; H51-D61 PolarHBondContact O-N 3.11Å; D61-N63 VanDerWaalsContact C-N 3.27Å; D61-N63 PolarHBondContact O-N 3.02Å; D61-N63 WeakPolarHBondContact OD1-CA 2.9Å; D61-N63 VanDerWaalsContact OD1-CB 3.28Å; D61-N63 WeakPolarHBondContact OD1-CB 3.43Å; D61-N63 PolarHBondContact OD1-N 3.28Å; D61-N63 PolarHBondContact OD1-ND2 3.36Å; D61-N63 PolarHBondContact OD2-ND2 2.9Å; D61-N63 VanDerWaalsContact OD2-ND2 3.16Å; D61-V64 PolarHBondContact O-N 3.01Å; D61-V64 PolarHBondContact OD1-N 2.85Å
62V87.4Confident80.3Confident28 Ų2850.2 Ų50.217%0.1727%0.265CS..Hα-helixtrans-64.3-27.9-178.964.20000113.8V64 I65 M66 W78 W118 L163V62-V64 VanDerWaalsContact C-N 3.26Å; V62-V64 PolarHBondContact O-N 2.88Å; V62-I65 WeakPolarHBondContact O-CB 3.43Å; V62-I65 PolarHBondContact O-N 2.82Å; V62-I65 VanDerWaalsContact O-N 3.1Å; V62-M66 HydrophobicContact CG2-CG 4.21Å; V62-M66 HydrophobicContact CG2-SD 4.34Å; V62-M66 WeakPolarHBondContact O-CG 3.19Å; V62-M66 PolarHBondContact O-N 3.21Å; V62-W78 HydrophobicContact CB-CZ3 4.45Å; V62-W78 HydrophobicContact CG1-CZ3 4.31Å; V62-W78 HydrophobicContact CG2-CZ3 3.85Å; V62-W118 HydrophobicContact CB-CH2 3.94Å; V62-W118 HydrophobicContact CB-CZ2 4.17Å; V62-W118 HydrophobicContact CG2-CH2 4.21Å; V62-L163 HydrophobicContact CG2-CD1 3.73Å; V62-L163 HydrophobicContact CG2-CD2 4.42Å
63N88.3Confident81.7Confident67 Ų6753.4 Ų53.436%0.35828%0.283SS..Hα-helixtrans-66.4-34.8-178.5-59.1-57.6000110.9L42 D61 I65 M66 A67L42-N63 HydrophobicContact CD1-CB 4.01Å; D61-N63 VanDerWaalsContact C-N 3.27Å; D61-N63 PolarHBondContact O-N 3.02Å; D61-N63 WeakPolarHBondContact OD1-CA 2.9Å; D61-N63 VanDerWaalsContact OD1-CB 3.28Å; D61-N63 WeakPolarHBondContact OD1-CB 3.43Å; D61-N63 PolarHBondContact OD1-N 3.28Å; D61-N63 PolarHBondContact OD1-ND2 3.36Å; D61-N63 PolarHBondContact OD2-ND2 2.9Å; D61-N63 VanDerWaalsContact OD2-ND2 3.16Å; N63-I65 VanDerWaalsContact C-N 3.35Å; N63-M66 PolarHBondContact O-N 2.91Å; N63-A67 VanDerWaalsContact O-CB 3.27Å; N63-A67 WeakPolarHBondContact O-CB 3.37Å; N63-A67 PolarHBondContact O-N 3.37Å
64V90Very high83.4Confident3 Ų352.6 Ų52.62%0.01828%0.277CS..Hα-helixtrans-64.7-42.1174-175.70000110.6A35 I38 C39 L42 H51 Y60 D61 V62 A68A35-V64 HydrophobicContact CB-CG1 4.37Å; I38-V64 HydrophobicContact CB-CG1 4.43Å; I38-V64 HydrophobicContact CG2-CG1 4.02Å; C39-V64 WeakPolarHBondContact SG-CG2 3.41Å; L42-V64 HydrophobicContact CD1-CG2 4.38Å; H51-V64 HydrophobicContact CB-CG2 3.93Å; Y60-V64 HydrophobicContact CD1-CG1 4.08Å; Y60-V64 HydrophobicContact CD1-CG2 4.07Å; Y60-V64 HydrophobicContact CG-CG1 4.14Å; Y60-V64 HydrophobicContact CG-CG2 4.45Å; D61-V64 PolarHBondContact O-N 3.01Å; D61-V64 PolarHBondContact OD1-N 2.85Å; V62-V64 VanDerWaalsContact C-N 3.26Å; V62-V64 PolarHBondContact O-N 2.88Å; V64-A68 WeakPolarHBondContact O-CB 3.17Å; V64-A68 PolarHBondContact O-N 3.44Å
65I92.9Very high85.6Confident0 Ų045.1 Ų45.10%024%0.241CC..Hα-helixtrans-61.6-48.7175.9-63.6174.8000110.5A17 L21 V62 N63 A68 L69 I97 W118 L163A17-I65 HydrophobicContact CB-CD1 4.1Å; A17-I65 HydrophobicContact CB-CG1 4.12Å; L21-I65 HydrophobicContact CD2-CG2 4Å; V62-I65 WeakPolarHBondContact O-CB 3.43Å; V62-I65 PolarHBondContact O-N 2.82Å; V62-I65 VanDerWaalsContact O-N 3.1Å; N63-I65 VanDerWaalsContact C-N 3.35Å; I65-A68 PolarHBondContact O-N 2.86Å; I65-L69 HydrophobicContact CG2-CD1 4.07Å; I65-L69 WeakPolarHBondContact O-CG 3.27Å; I65-L69 PolarHBondContact O-N 3.35Å; I65-I97 HydrophobicContact CD1-CG2 4.32Å; I65-I97 HydrophobicContact CG2-CD1 3.71Å; I65-W118 HydrophobicContact CD1-CD2 3.57Å; I65-W118 HydrophobicContact CD1-CE3 3.76Å; I65-W118 HydrophobicContact CD1-CG 4.05Å; I65-W118 HydrophobicContact CD1-CH2 4.07Å; I65-W118 HydrophobicContact CD1-CZ2 3.93Å; I65-W118 HydrophobicContact CD1-CZ3 3.95Å; I65-L163 HydrophobicContact CG2-CD1 4.11Å
66M92.3Very high87.5Confident60 Ų6038.3 Ų38.330%0.29621%0.206SC..Hα-helixtrans-61.3-47.8179.1-67.8-179.27300111.8V62 N63 A68 L69 Q70 A76V62-M66 HydrophobicContact CG2-CG 4.21Å; V62-M66 HydrophobicContact CG2-SD 4.34Å; V62-M66 WeakPolarHBondContact O-CG 3.19Å; V62-M66 PolarHBondContact O-N 3.21Å; N63-M66 PolarHBondContact O-N 2.91Å; M66-A68 VanDerWaalsContact C-N 3.34Å; M66-A68 PolarHBondContact O-N 3.09Å; M66-L69 PolarHBondContact O-N 3.41Å; M66-Q70 WeakPolarHBondContact O-CB 3.42Å; M66-Q70 VanDerWaalsContact O-CG 3.29Å; M66-Q70 WeakPolarHBondContact O-CG 3.29Å; M66-Q70 PolarHBondContact O-N 2.9Å; M66-A76 HydrophobicContact CG-CB 4.01Å
67A91.9Very high89.2Confident12 Ų1237.9 Ų37.910%0.09920%0.199CC..Hα-helixtrans-65.4-36179.200000112.7I38 L42 N63 S71I38-A67 HydrophobicContact CG2-CB 3.6Å; L42-A67 HydrophobicContact CD1-CB 4.19Å; L42-A67 HydrophobicContact CD2-CB 4.24Å; L42-A67 HydrophobicContact CG-CB 4.48Å; N63-A67 VanDerWaalsContact O-CB 3.27Å; N63-A67 WeakPolarHBondContact O-CB 3.37Å; N63-A67 PolarHBondContact O-N 3.37Å; A67-S71 PolarHBondContact O-N 3.36Å; A67-S71 VanDerWaalsContact O-N 3.11Å
68A93.6Very high90.8Very high0 Ų041.1 Ų41.10%021%0.205CC..Hα-helixtrans-62.2-50173.900000111.1L21 F30 I38 V64 I65 M66 Q70 S71L21-A68 HydrophobicContact CD1-CB 3.52Å; L21-A68 HydrophobicContact CD2-CB 4.03Å; L21-A68 HydrophobicContact CG-CB 4.44Å; F30-A68 HydrophobicContact CD1-CB 4.2Å; F30-A68 HydrophobicContact CE1-CB 3.68Å; F30-A68 HydrophobicContact CE2-CB 4.06Å; F30-A68 HydrophobicContact CZ-CB 3.61Å; F30-A68 WeakPolarHBondContact CZ-O 3.45Å; I38-A68 HydrophobicContact CD1-CB 3.86Å; V64-A68 WeakPolarHBondContact O-CB 3.17Å; V64-A68 PolarHBondContact O-N 3.44Å; I65-A68 PolarHBondContact O-N 2.86Å; M66-A68 VanDerWaalsContact C-N 3.34Å; M66-A68 PolarHBondContact O-N 3.09Å; A68-Q70 VanDerWaalsContact C-N 3.35Å; A68-Q70 PolarHBondContact O-N 3.1Å; A68-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-OG 3.27Å
69L95.4Very high92.3Very high0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-62-41.8177.5-69171.2000111.9L21 L25 I65 M66 S71 R72 E73 L74 A76 I97 V165L21-L69 HydrophobicContact CD2-CD1 4.4Å; L21-L69 HydrophobicContact CD2-CD2 3.79Å; L21-L69 HydrophobicContact CD2-CG 3.75Å; L25-L69 HydrophobicContact CD2-CD2 4.47Å; I65-L69 HydrophobicContact CG2-CD1 4.07Å; I65-L69 WeakPolarHBondContact O-CG 3.27Å; I65-L69 PolarHBondContact O-N 3.35Å; M66-L69 PolarHBondContact O-N 3.41Å; L69-S71 VanDerWaalsContact C-N 3.27Å; L69-S71 PolarHBondContact O-N 3.23Å; L69-R72 CarbonylContact O-C 3.21Å; L69-R72 WeakPolarHBondContact O-CA 3.44Å; L69-R72 PolarHBondContact O-N 3.16Å; L69-E73 PolarHBondContact O-N 3.16Å; L69-L74 CarbonylContact C-O 3.53Å; L69-L74 HydrophobicContact CB-CB 4.16Å; L69-L74 HydrophobicContact CD2-CB 4.36Å; L69-L74 HydrophobicContact CD2-CD1 4.19Å; L69-L74 PolarHBondContact O-N 2.82Å; L69-A76 HydrophobicContact CD1-CB 3.62Å; L69-I97 HydrophobicContact CD1-CD1 4.48Å; L69-V165 HydrophobicContact CD1-CG1 4.26Å; L69-V165 HydrophobicContact CD1-CG2 3.98Å; L69-V165 HydrophobicContact CD2-CG1 3.69Å; L69-V165 HydrophobicContact CD2-CG2 4.41Å
70Q93.8Very high92.9Very high102 Ų10239.7 Ų39.748%0.47720%0.197SC..Hα-helixtrans-58.4-37.7175.6-76.9174.4-5.600112.5M66 A68 R72 E73 L74 R168M66-Q70 WeakPolarHBondContact O-CB 3.42Å; M66-Q70 VanDerWaalsContact O-CG 3.29Å; M66-Q70 WeakPolarHBondContact O-CG 3.29Å; M66-Q70 PolarHBondContact O-N 2.9Å; A68-Q70 VanDerWaalsContact C-N 3.35Å; A68-Q70 PolarHBondContact O-N 3.1Å; Q70-R72 PolarHBondContact O-N 2.86Å; Q70-R72 VanDerWaalsContact O-N 3.14Å; Q70-E73 PolarHBondContact O-N 3.41Å; Q70-L74 WeakPolarHBondContact CA-O 3.28Å; Q70-L74 PolarHBondContact N-O 2.99Å; Q70-R168 PolarHBondContact O-NH2 2.97Å
71S93.2Very high93.3Very high72 Ų7242.8 Ų42.850%0.50321%0.211SC..THydrogen-bonded Turntrans-64.9-13.7176.376.70000114.2A67 A68 L69A67-S71 PolarHBondContact O-N 3.36Å; A67-S71 VanDerWaalsContact O-N 3.11Å; A68-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-OG 3.27Å; L69-S71 VanDerWaalsContact C-N 3.27Å; L69-S71 PolarHBondContact O-N 3.23Å
72R94.6Very high93.4Very high95 Ų9551 Ų5136%0.35824%0.238SC..THydrogen-bonded Turntrans-110.518.9179.7-64.3-87.7-89.9167-5.7112.4E27 F30 L69 Q70 L74E27-R72 IonicContact OE2-CZ 3.77Å; E27-R72 IonicContact OE2-NH1 3.64Å; E27-R72 IonicContact OE2-NH2 2.73Å; E27-R72 PolarHBondContact OE2-NH2 2.73Å; F30-R72 HydrophobicContact CZ-CG 3.94Å; L69-R72 CarbonylContact O-C 3.21Å; L69-R72 WeakPolarHBondContact O-CA 3.44Å; L69-R72 PolarHBondContact O-N 3.16Å; Q70-R72 PolarHBondContact O-N 2.86Å; Q70-R72 VanDerWaalsContact O-N 3.14Å; R72-L74 HydrophobicContact CB-CD1 4.48Å; R72-L74 PolarHBondContact O-N 3.38Å
73E95.1Very high93.6Very high144 Ų14453.3 Ų53.367%0.67324%0.244SC*.THydrogen-bonded Turntrans59.425-176.8-53.5-173.5135.300114.3L69 Q70L69-E73 PolarHBondContact O-N 3.16Å; Q70-E73 PolarHBondContact O-N 3.41Å
74L97.4Very high93.7Very high12 Ų1253.3 Ų53.36%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-109.2171.8174.2-60.8174.8000110.5L25 L69 Q70 R72 V165 V166 R167L25-L74 HydrophobicContact CD2-CD1 3.49Å; L25-L74 VanDerWaalsContact CD2-CD1 3.49Å; L69-L74 CarbonylContact C-O 3.53Å; L69-L74 HydrophobicContact CB-CB 4.16Å; L69-L74 HydrophobicContact CD2-CB 4.36Å; L69-L74 HydrophobicContact CD2-CD1 4.19Å; L69-L74 PolarHBondContact O-N 2.82Å; Q70-L74 WeakPolarHBondContact CA-O 3.28Å; Q70-L74 PolarHBondContact N-O 2.99Å; R72-L74 HydrophobicContact CB-CD1 4.48Å; R72-L74 PolarHBondContact O-N 3.38Å; L74-V165 HydrophobicContact CD1-CG1 4.04Å; L74-V166 CarbonylContact C-O 3.56Å; L74-V166 WeakPolarHBondContact CA-O 3.17Å; L74-V166 WeakPolarHBondContact CB-O 3.49Å; L74-R167 HydrophobicContact CD2-CG 4.26Å
75A96.6Very high93.9Very high3 Ų353.6 Ų53.63%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-134.4157.2176.500000110.9V165 V166 E171A75-V165 WeakPolarHBondContact O-CA 3.49Å; A75-V166 HydrophobicContact CB-CG2 4.11Å; A75-V166 PolarHBondContact N-O 2.91Å; A75-V166 PolarHBondContact O-N 3.31Å; A75-E171 HydrophobicContact CB-CB 3.85Å; A75-E171 HydrophobicContact CB-CG 4.21Å; A75-E171 WeakPolarHBondContact CB-OE2 3.35Å
76A96.9Very high93.9Very high9 Ų958.8 Ų58.87%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-115.8108.2171.900000109.1M66 L69 L163 L164M66-A76 HydrophobicContact CG-CB 4.01Å; L69-A76 HydrophobicContact CD1-CB 3.62Å; A76-L163 HydrophobicContact CB-CB 4.42Å; A76-L163 HydrophobicContact CB-CD1 4.36Å; A76-L164 WeakPolarHBondContact CA-O 3.43Å
77V97.1Very high94Very high14 Ų1456 Ų569%0.08526%0.259CS..EExtended strand (participates in β ladder)trans-93.4128.7176.6176.30000109.3W79 L163 L164 V166 E171 W176V77-W79 PolarHBondContact O-N 3.36Å; V77-L163 CarbonylContact O-C 3.39Å; V77-L163 WeakPolarHBondContact O-CA 3.25Å; V77-L164 HydrophobicContact CB-CB 4.22Å; V77-L164 HydrophobicContact CB-CD1 4.47Å; V77-L164 HydrophobicContact CG1-CD1 4.43Å; V77-L164 PolarHBondContact N-O 2.8Å; V77-L164 PolarHBondContact O-N 3.46Å; V77-V166 HydrophobicContact CG2-CG2 3.75Å; V77-E171 HydrophobicContact CG2-CB 3.89Å; V77-E171 HydrophobicContact CG2-CG 3.81Å; V77-W176 HydrophobicContact CG1-CD2 4.02Å; V77-W176 HydrophobicContact CG1-CE3 4.44Å; V77-W176 HydrophobicContact CG1-CH2 3.99Å; V77-W176 HydrophobicContact CG1-CZ2 3.53Å; V77-W176 HydrophobicContact CG1-CZ3 4.42Å
78W96.5Very high94.2Very high120 Ų12055.6 Ų55.646%0.45526%0.255SS..EExtended strand (participates in β ladder)trans-73126.2175-153.2-74.5000111V62 D80 E161 L163V62-W78 HydrophobicContact CB-CZ3 4.45Å; V62-W78 HydrophobicContact CG1-CZ3 4.31Å; V62-W78 HydrophobicContact CG2-CZ3 3.85Å; W78-D80 PolarHBondContact O-N 3.38Å; W78-E161 HydrophobicContact CH2-CG 4.49Å; W78-E161 HydrophobicContact CZ2-CB 3.72Å; W78-E161 HydrophobicContact CZ2-CG 3.6Å; W78-E161 WeakPolarHBondContact CZ2-OE2 3.41Å; W78-E161 PolarHBondContact NE1-OE2 2.82Å; W78-L163 HydrophobicContact CB-CD2 4.41Å; W78-L163 HydrophobicContact CD2-CD2 3.85Å; W78-L163 HydrophobicContact CE3-CD2 3.43Å; W78-L163 VanDerWaalsContact CE3-CD2 3.43Å; W78-L163 HydrophobicContact CG-CD2 4.31Å; W78-L163 HydrophobicContact CZ3-CD2 3.98Å
79W95.8Very high94.3Very high3 Ų356.9 Ų56.91%0.01126%0.263CS..PPolyproline II helixtrans-77.1123.8174.8-179.2-104.1000111.4V77 K81 R83 T84 S87 L88 M162 L164 W176 L177V77-W79 PolarHBondContact O-N 3.36Å; W79-K81 PolarHBondContact O-N 3.29Å; W79-R83 HydrophobicContact CH2-CB 4.23Å; W79-R83 HydrophobicContact CZ2-CB 3.8Å; W79-T84 WeakPolarHBondContact CZ2-O 3.29Å; W79-S87 VanDerWaalsContact CH2-OG 3.27Å; W79-S87 WeakPolarHBondContact CH2-OG 3.35Å; W79-L88 HydrophobicContact CE3-CD1 4Å; W79-L88 HydrophobicContact CH2-CB 4.06Å; W79-L88 HydrophobicContact CH2-CD1 4.27Å; W79-L88 HydrophobicContact CZ3-CB 4.19Å; W79-L88 HydrophobicContact CZ3-CD1 3.56Å; W79-L88 HydrophobicContact CZ3-CG 4.5Å; W79-M162 HydrophobicContact CB-CB 4.07Å; W79-M162 HydrophobicContact CB-CE 3.49Å; W79-M162 VanDerWaalsContact CB-CE 3.49Å; W79-M162 HydrophobicContact CB-CG 4.37Å; W79-M162 WeakPolarHBondContact CB-O 3.49Å; W79-M162 HydrophobicContact CD2-CE 3.7Å; W79-M162 HydrophobicContact CE3-CE 4.37Å; W79-M162 HydrophobicContact CG-CE 3.25Å; W79-M162 PolarHBondContact N-O 3.13Å; W79-L164 HydrophobicContact CE3-CD1 4.09Å; W79-L164 HydrophobicContact CE3-CD2 4.47Å; W79-W176 HydrophobicContact CE3-CE3 4.5Å; W79-W176 HydrophobicContact CE3-CZ3 4.11Å; W79-W176 HydrophobicContact CZ3-CE3 4.25Å; W79-W176 AromaticContact CZ3-CZ3 3.96Å; W79-W176 HydrophobicContact CZ3-CZ3 3.96Å; W79-L177 HydrophobicContact CH2-CD1 4.22Å; W79-L177 HydrophobicContact CZ3-CD1 4.16Å
80D93.3Very high94.3Very high41 Ų4157 Ų5722%0.21927%0.265CS..  trans-75.9105.4171.2-175.3-7.4000110.3W78 R82 R83W78-D80 PolarHBondContact O-N 3.38Å; D80-R82 PolarHBondContact O-N 3.05Å; D80-R82 VanDerWaalsContact OD1-CB 3.26Å; D80-R82 WeakPolarHBondContact OD1-CB 3.44Å; D80-R82 WeakPolarHBondContact OD1-CG 3.39Å; D80-R82 IonicContact OD1-CZ 3.96Å; D80-R82 PolarHBondContact OD1-N 2.61Å; D80-R82 IonicContact OD1-NE 3.75Å; D80-R82 PolarHBondContact OD1-NE 2.77Å; D80-R82 IonicContact OD1-NH2 3.53Å; D80-R82 IonicContact OD2-CZ 3.62Å; D80-R82 IonicContact OD2-NE 3.33Å; D80-R82 PolarHBondContact OD2-NE 3.1Å; D80-R82 VanDerWaalsContact OD2-NE 3.15Å; D80-R82 IonicContact OD2-NH2 3.76Å; D80-R82 PolarHBondContact OD2-NH2 2.84Å; D80-R83 HydrophobicContact CB-CG 4.17Å; D80-R83 VanDerWaalsContact O-CB 3.32Å; D80-R83 WeakPolarHBondContact O-CB 3.29Å; D80-R83 PolarHBondContact O-N 2.96Å
81K90.3Very high94.3Very high67 Ų6758.8 Ų58.829%0.29128%0.277SS..THydrogen-bonded Turntrans-62.2-12.8-179.5-63.8-175.4-10.5177.10114.8W79 R83 L155 P157 D158 A160W79-K81 PolarHBondContact O-N 3.29Å; K81-R83 PolarHBondContact O-N 3.2Å; K81-L155 HydrophobicContact CD-CD2 4.12Å; K81-L155 HydrophobicContact CG-CD2 4.29Å; K81-P157 PolarHBondContact NZ-O 2.88Å; K81-P157 VanDerWaalsContact NZ-O 3.11Å; K81-D158 PolarHBondContact NZ-O 3.47Å; K81-A160 WeakPolarHBondContact CD-O 3.34Å; K81-A160 PolarHBondContact NZ-O 3.29Å
82R89.1Confident94.5Very high218 Ų21860.4 Ų60.482%0.82328%0.275SS*.THydrogen-bonded Turntrans-72.2-17.8172.2-57.8172.9-64.61763.7111.7D80D80-R82 PolarHBondContact O-N 3.05Å; D80-R82 VanDerWaalsContact OD1-CB 3.26Å; D80-R82 WeakPolarHBondContact OD1-CB 3.44Å; D80-R82 WeakPolarHBondContact OD1-CG 3.39Å; D80-R82 IonicContact OD1-CZ 3.96Å; D80-R82 PolarHBondContact OD1-N 2.61Å; D80-R82 IonicContact OD1-NE 3.75Å; D80-R82 PolarHBondContact OD1-NE 2.77Å; D80-R82 IonicContact OD1-NH2 3.53Å; D80-R82 IonicContact OD2-CZ 3.62Å; D80-R82 IonicContact OD2-NE 3.33Å; D80-R82 PolarHBondContact OD2-NE 3.1Å; D80-R82 VanDerWaalsContact OD2-NE 3.15Å; D80-R82 IonicContact OD2-NH2 3.76Å; D80-R82 PolarHBondContact OD2-NH2 2.84Å
83R91.1Very high94.6Very high78 Ų7856.4 Ų56.429%0.29426%0.261SS..SBendtrans-87.3147.2175-59.9179.3179.9-86.9-3.9110.2W79 D80 K81 D181W79-R83 HydrophobicContact CH2-CB 4.23Å; W79-R83 HydrophobicContact CZ2-CB 3.8Å; D80-R83 HydrophobicContact CB-CG 4.17Å; D80-R83 VanDerWaalsContact O-CB 3.32Å; D80-R83 WeakPolarHBondContact O-CB 3.29Å; D80-R83 PolarHBondContact O-N 2.96Å; K81-R83 PolarHBondContact O-N 3.2Å; R83-D181 PolarHBondContact NH1-O 3.27Å
84T92Very high94.7Very high67 Ų6751.9 Ų51.941%0.41124%0.24SC..  trans-71.7138.5170.31710000110.6W79 Q86 S87W79-T84 WeakPolarHBondContact CZ2-O 3.29Å; T84-Q86 HydrophobicContact CG2-CB 4.14Å; T84-Q86 PolarHBondContact O-N 2.92Å; T84-Q86 VanDerWaalsContact OG1-CD 3.25Å; T84-Q86 PolarHBondContact OG1-N 3.16Å; T84-Q86 VanDerWaalsContact OG1-N 3.07Å; T84-Q86 PolarHBondContact OG1-OE1 3.34Å; T84-S87 WeakPolarHBondContact O-CB 3.33Å; T84-S87 PolarHBondContact O-N 3.24Å; T84-S87 PolarHBondContact O-OG 3.05Å
85V94.1Very high94.8Very high8 Ų851.4 Ų51.45%0.04824%0.238CC..G310 helixtrans-59-17.2172.3-57.90000112.7S87 L88 R148 L151 S152 L155V85-S87 PolarHBondContact O-N 3.45Å; V85-L88 WeakPolarHBondContact O-CB 3.33Å; V85-L88 PolarHBondContact O-N 2.77Å; V85-R148 HydrophobicContact CG2-CB 4.22Å; V85-R148 PolarHBondContact O-NH1 3.39Å; V85-L151 HydrophobicContact CG1-CB 4.26Å; V85-S152 WeakPolarHBondContact CG2-OG 3.38Å; V85-L155 HydrophobicContact CG1-CD1 4.09Å
86Q92.9Very high94.9Very high110 Ų11051.3 Ų51.351%0.51424%0.237SC..G310 helixtrans-64.4-25.8172.1-76.181.459.600112.9T84 L88 R148 N178T84-Q86 HydrophobicContact CG2-CB 4.14Å; T84-Q86 PolarHBondContact O-N 2.92Å; T84-Q86 VanDerWaalsContact OG1-CD 3.25Å; T84-Q86 PolarHBondContact OG1-N 3.16Å; T84-Q86 VanDerWaalsContact OG1-N 3.07Å; T84-Q86 PolarHBondContact OG1-OE1 3.34Å; Q86-L88 PolarHBondContact O-N 3.36Å; Q86-R148 PolarHBondContact O-NH1 2.94Å; Q86-N178 PolarHBondContact O-ND2 2.73Å
87S93.9Very high94.9Very high2 Ų250.9 Ų50.91%0.01423%0.233CC..G310 helixtrans-72.6-10.4176.965.60000113.5W79 T84 V85 L177 N178 D181W79-S87 VanDerWaalsContact CH2-OG 3.27Å; W79-S87 WeakPolarHBondContact CH2-OG 3.35Å; T84-S87 WeakPolarHBondContact O-CB 3.33Å; T84-S87 PolarHBondContact O-N 3.24Å; T84-S87 PolarHBondContact O-OG 3.05Å; V85-S87 PolarHBondContact O-N 3.45Å; S87-L177 WeakPolarHBondContact O-CD1 3.36Å; S87-L177 WeakPolarHBondContact OG-CD1 2.93Å; S87-N178 WeakPolarHBondContact O-CB 3.26Å; S87-N178 PolarHBondContact O-N 3.07Å; S87-N178 PolarHBondContact O-ND2 2.72Å; S87-D181 WeakPolarHBondContact CB-OD2 3.43Å
88L94.9Very high95Very high2 Ų250.2 Ų50.21%0.0123%0.229CC..BIsolated β-bridgetrans-72.9129.5179.1-171.376.7000111.5W79 V85 Q86 V90 V93 F96 R148 L164W79-L88 HydrophobicContact CE3-CD1 4Å; W79-L88 HydrophobicContact CH2-CB 4.06Å; W79-L88 HydrophobicContact CH2-CD1 4.27Å; W79-L88 HydrophobicContact CZ3-CB 4.19Å; W79-L88 HydrophobicContact CZ3-CD1 3.56Å; W79-L88 HydrophobicContact CZ3-CG 4.5Å; V85-L88 WeakPolarHBondContact O-CB 3.33Å; V85-L88 PolarHBondContact O-N 2.77Å; Q86-L88 PolarHBondContact O-N 3.36Å; L88-V90 HydrophobicContact CD2-CG2 3.76Å; L88-V90 HydrophobicContact CG-CG2 4.2Å; L88-V90 PolarHBondContact O-N 2.91Å; L88-V93 HydrophobicContact CD1-CG2 4.06Å; L88-V93 HydrophobicContact CG-CG2 4.38Å; L88-F96 HydrophobicContact CD2-CE1 3.45Å; L88-F96 VanDerWaalsContact CD2-CE1 3.45Å; L88-F96 HydrophobicContact CD2-CZ 3.72Å; L88-R148 PolarHBondContact O-NH1 3.41Å; L88-R148 VanDerWaalsContact O-NH1 3.14Å; L88-R148 PolarHBondContact O-NH2 3.26Å; L88-L164 HydrophobicContact CD1-CD1 3.53Å; L88-L164 HydrophobicContact CD1-CD2 3.75Å; L88-L164 HydrophobicContact CD1-CG 4.3Å
89C95.8Very high94.9Very high27 Ų2745.4 Ų45.418%0.18221%0.212CC..  trans-85.484.8167.3-165.70000109.2D91 K92 T175 W176 N178C89-D91 VanDerWaalsContact C-N 3.27Å; C89-D91 PolarHBondContact O-N 2.97Å; C89-K92 HydrophobicContact CB-CG 4.26Å; C89-K92 PolarHBondContact O-N 3.2Å; C89-K92 VanDerWaalsContact O-N 3.09Å; C89-T175 WeakPolarHBondContact CB-O 3.5Å; C89-W176 PolarHBondContact N-O 3.36Å; C89-N178 WeakPolarHBondContact CB-OD1 3.48Å
90V95.3Very high94.8Very high4 Ų445.8 Ų45.82%0.02422%0.215CC..G310 helixtrans-59-37.1-170.8179.90000112.1L88 K92 V93 Y128 E144 L147L88-V90 HydrophobicContact CD2-CG2 3.76Å; L88-V90 HydrophobicContact CG-CG2 4.2Å; L88-V90 PolarHBondContact O-N 2.91Å; V90-K92 PolarHBondContact O-N 3.38Å; V90-K92 VanDerWaalsContact O-N 3.1Å; V90-V93 WeakPolarHBondContact O-CB 3.37Å; V90-V93 PolarHBondContact O-N 3.38Å; V90-Y128 HydrophobicContact CG1-CE1 4.32Å; V90-Y128 WeakPolarHBondContact CG1-OH 3.36Å; V90-E144 HydrophobicContact CB-CG 4.21Å; V90-E144 HydrophobicContact CG1-CG 4.23Å; V90-E144 HydrophobicContact CG2-CG 3.99Å; V90-L147 HydrophobicContact CG1-CD2 3.82Å; V90-L147 HydrophobicContact CG2-CD2 4.44Å
91D94.7Very high94.7Very high138 Ų13845.8 Ų45.874%0.73822%0.217SC*.G310 helixtrans-59.8-22.7179.1-66.1-22.8000114.1C89C89-D91 VanDerWaalsContact C-N 3.27Å; C89-D91 PolarHBondContact O-N 2.97Å
92K96.7Very high94.5Very high106 Ų10643.8 Ų43.846%0.46121%0.212SC..G310 helixtrans-89.4-9.2177.4-58.9-60.9-176.1-178.90112.6C89 V90 V170C89-K92 HydrophobicContact CB-CG 4.26Å; C89-K92 PolarHBondContact O-N 3.2Å; C89-K92 VanDerWaalsContact O-N 3.09Å; V90-K92 PolarHBondContact O-N 3.38Å; V90-K92 VanDerWaalsContact O-N 3.1Å; K92-V170 HydrophobicContact CB-CG1 3.9Å; K92-V170 HydrophobicContact CB-CG2 4.37Å
93V97.7Very high94.3Very high12 Ų1241 Ų417%0.07320%0.201CC..  trans-98.4121.3-177.4-176.30000109.9L88 V90 G95 F96 L164 V166 W176L88-V93 HydrophobicContact CD1-CG2 4.06Å; L88-V93 HydrophobicContact CG-CG2 4.38Å; V90-V93 WeakPolarHBondContact O-CB 3.37Å; V90-V93 PolarHBondContact O-N 3.38Å; V93-G95 WeakPolarHBondContact CG1-O 3.46Å; V93-F96 HydrophobicContact CB-CE1 4.35Å; V93-F96 HydrophobicContact CB-CZ 4.1Å; V93-F96 HydrophobicContact CG1-CD1 4.16Å; V93-F96 HydrophobicContact CG1-CE1 3.68Å; V93-F96 HydrophobicContact CG1-CE2 4.2Å; V93-F96 HydrophobicContact CG1-CZ 3.7Å; V93-L164 HydrophobicContact CG1-CB 4.2Å; V93-L164 HydrophobicContact CG1-CD2 4.48Å; V93-L164 HydrophobicContact CG2-CB 4.46Å; V93-L164 HydrophobicContact CG2-CD1 4.37Å; V93-V166 HydrophobicContact CB-CG1 4.49Å; V93-V166 HydrophobicContact CG1-CG1 4.46Å; V93-V166 HydrophobicContact CG2-CG1 4.14Å; V93-W176 HydrophobicContact CG2-CB 4.43Å
94Q97.4Very high93.6Very high49 Ų4939 Ų3923%0.22920%0.198CC..  trans-69.9-45.8174.8-170.6174.5-18.300109.8R122 V165Q94-R122 VanDerWaalsContact CG-CZ 3.46Å; Q94-R122 WeakPolarHBondContact O-CD 3.33Å; Q94-R122 PolarHBondContact O-NE 3.03Å; Q94-R122 PolarHBondContact O-NH1 2.89Å; Q94-V165 WeakPolarHBondContact CA-O 3.46Å; Q94-V165 HydrophobicContact CB-CG1 4.48Å; Q94-V165 VanDerWaalsContact CB-O 3.3Å; Q94-V165 WeakPolarHBondContact CB-O 3.37Å; Q94-V165 PolarHBondContact N-O 2.82Å
95G98.1Very high92.6Very high1 Ų139.7 Ų39.71%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-169.3-174.5173.200000112.2V93 V121 V165V93-G95 WeakPolarHBondContact CG1-O 3.46Å; G95-V121 WeakPolarHBondContact CA-O 3.42Å; G95-V165 PolarHBondContact N-O 2.67Å; G95-V165 WeakPolarHBondContact O-CB 3.38Å; G95-V165 PolarHBondContact O-N 2.86Å
96F98.6Very high91.4Very high1 Ų145.4 Ų45.40%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-125.1137.4-174.7-49-92.3000109.2L88 V93 L98 A120 V121 Y128 L147 L151 M162 L163 L164L88-F96 HydrophobicContact CD2-CE1 3.45Å; L88-F96 VanDerWaalsContact CD2-CE1 3.45Å; L88-F96 HydrophobicContact CD2-CZ 3.72Å; V93-F96 HydrophobicContact CB-CE1 4.35Å; V93-F96 HydrophobicContact CB-CZ 4.1Å; V93-F96 HydrophobicContact CG1-CD1 4.16Å; V93-F96 HydrophobicContact CG1-CE1 3.68Å; V93-F96 HydrophobicContact CG1-CE2 4.2Å; V93-F96 HydrophobicContact CG1-CZ 3.7Å; F96-L98 HydrophobicContact CB-CD1 3.82Å; F96-A120 CarbonylContact O-C 3.56Å; F96-A120 WeakPolarHBondContact O-CA 3.23Å; F96-V121 HydrophobicContact CB-CB 4.17Å; F96-V121 HydrophobicContact CD2-CB 4.17Å; F96-V121 HydrophobicContact CD2-CG1 4.16Å; F96-V121 PolarHBondContact N-O 3.43Å; F96-V121 PolarHBondContact O-N 3.05Å; F96-Y128 HydrophobicContact CE2-CE1 4.3Å; F96-L147 HydrophobicContact CD2-CD1 4.38Å; F96-L147 HydrophobicContact CE2-CD1 4.17Å; F96-L147 HydrophobicContact CE2-CD2 3.79Å; F96-L147 HydrophobicContact CZ-CD2 4.02Å; F96-L151 HydrophobicContact CD1-CD1 4.12Å; F96-L151 HydrophobicContact CE1-CD1 3.92Å; F96-L151 HydrophobicContact CG-CD2 4.39Å; F96-L151 HydrophobicContact CZ-CD1 4.14Å; F96-M162 HydrophobicContact CB-SD 4.45Å; F96-M162 HydrophobicContact CD1-CG 4.47Å; F96-M162 HydrophobicContact CD1-SD 3.76Å; F96-M162 HydrophobicContact CG-SD 4.47Å; F96-L163 WeakPolarHBondContact CA-O 3.44Å; F96-L164 HydrophobicContact CD1-CD2 3.67Å; F96-L164 HydrophobicContact CE1-CD2 3.66Å
97I98.4Very high90.5Very high0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-116.6118.6168.2-63.8175000107A20 L21 V24 I65 L69 W118 L119 L163 V165A20-I97 HydrophobicContact CB-CG2 4.34Å; L21-I97 HydrophobicContact CD2-CD1 4.22Å; V24-I97 HydrophobicContact CB-CG1 4.44Å; V24-I97 HydrophobicContact CG1-CD1 4.09Å; V24-I97 HydrophobicContact CG1-CG1 4.21Å; I65-I97 HydrophobicContact CD1-CG2 4.32Å; I65-I97 HydrophobicContact CG2-CD1 3.71Å; L69-I97 HydrophobicContact CD1-CD1 4.48Å; I97-W118 HydrophobicContact CG2-CE3 3.66Å; I97-W118 HydrophobicContact CG2-CZ3 4.18Å; I97-L119 CarbonylContact C-O 3.5Å; I97-L119 WeakPolarHBondContact CA-O 3.24Å; I97-L163 HydrophobicContact CB-CB 4.33Å; I97-L163 PolarHBondContact N-O 2.71Å; I97-L163 PolarHBondContact O-N 3.2Å; I97-V165 HydrophobicContact CD1-CG2 3.85Å; I97-V165 HydrophobicContact CG1-CG2 3.92Å
98L97.7Very high89.5Confident0 Ų052 Ų520%029%0.289CS..EExtended strand (participates in β ladder)trans-105.7140.9-179.8-66.881000110.1F96 V100 W118 L119 V121 L151 Q154 E161 M162F96-L98 HydrophobicContact CB-CD1 3.82Å; L98-V100 HydrophobicContact CB-CG1 4.03Å; L98-V100 HydrophobicContact CD2-CG1 4.42Å; L98-W118 VanDerWaalsContact O-CA 3.29Å; L98-W118 WeakPolarHBondContact O-CA 3.4Å; L98-L119 HydrophobicContact CB-CD1 4.01Å; L98-L119 HydrophobicContact CB-CG 4.11Å; L98-L119 HydrophobicContact CD1-CD1 3.92Å; L98-L119 HydrophobicContact CG-CD1 4.39Å; L98-L119 PolarHBondContact N-O 2.89Å; L98-L119 PolarHBondContact O-N 3.47Å; L98-V121 HydrophobicContact CD1-CG2 3.99Å; L98-L151 HydrophobicContact CD1-CD2 4.21Å; L98-L151 HydrophobicContact CD2-CD2 4.25Å; L98-Q154 HydrophobicContact CD2-CB 3.43Å; L98-Q154 VanDerWaalsContact CD2-CB 3.43Å; L98-Q154 HydrophobicContact CD2-CG 3.93Å; L98-E161 CarbonylContact C-O 3.53Å; L98-E161 WeakPolarHBondContact CA-O 3.36Å; L98-M162 HydrophobicContact CG-CB 4.39Å; L98-M162 HydrophobicContact CG-CG 4.24Å
99N95.9Very high88.5Confident19 Ų1956.4 Ų56.410%0.10232%0.315CS..EExtended strand (participates in β ladder)trans-107.296.5168.9-165.2-22.8000110R116 H117 W118 A160 E161N99-R116 WeakPolarHBondContact OD1-CB 3.33Å; N99-R116 WeakPolarHBondContact OD1-CD 3.43Å; N99-H117 WeakPolarHBondContact CA-O 3.42Å; N99-W118 HydrophobicContact CB-CD2 4.27Å; N99-W118 HydrophobicContact CB-CE3 3.63Å; N99-W118 HydrophobicContact CB-CH2 3.84Å; N99-W118 HydrophobicContact CB-CZ2 4.42Å; N99-W118 HydrophobicContact CB-CZ3 3.44Å; N99-W118 VanDerWaalsContact CB-CZ3 3.44Å; N99-W118 VanDerWaalsContact ND2-CH2 3.29Å; N99-W118 WeakPolarHBondContact ND2-CH2 3.34Å; N99-W118 WeakPolarHBondContact ND2-CZ2 3.4Å; N99-A160 WeakPolarHBondContact O-CA 3.37Å; N99-E161 HydrophobicContact CB-CB 4.17Å; N99-E161 PolarHBondContact N-O 3.12Å; N99-E161 PolarHBondContact O-N 2.97Å; N99-E161 VanDerWaalsContact O-N 3.1Å
100V93.1Very high87.6Confident12 Ų1258.1 Ų58.17%0.07333%0.327CS..EExtended strand (participates in β ladder)trans-112.3150.5-173.9-62.30000111.4L98 S102 H117 L119 A160L98-V100 HydrophobicContact CB-CG1 4.03Å; L98-V100 HydrophobicContact CD2-CG1 4.42Å; V100-S102 PolarHBondContact O-N 2.8Å; V100-H117 PolarHBondContact N-O 3.22Å; V100-H117 PolarHBondContact O-N 2.83Å; V100-L119 HydrophobicContact CG2-CD2 3.6Å; V100-L119 HydrophobicContact CG2-CG 4.43Å; V100-A160 HydrophobicContact CG1-CB 4.32Å
101P90.6Very high86.8Confident40 Ų4061 Ų6126%0.2634%0.342SS..EExtended strand (participates in β ladder)trans-68121.5171.329.1-34000109.9K114 P157 V159P101-K114 HydrophobicContact CB-CB 4.48Å; P101-K114 HydrophobicContact CB-CD 4.25Å; P101-P157 HydrophobicContact CG-CB 4.45Å; P101-V159 HydrophobicContact CB-CG2 4.15Å; P101-V159 HydrophobicContact CG-CG2 3.74Å
102S87.1Confident85.9Confident25 Ų2560.5 Ų60.518%0.17535%0.347CS..EExtended strand (participates in β ladder)trans-124.6141.6-177.9-170.10000111V100 K114 R115 H117 K134V100-S102 PolarHBondContact O-N 2.8Å; S102-K114 CarbonylContact O-C 3.57Å; S102-K114 WeakPolarHBondContact O-CA 3.34Å; S102-R115 PolarHBondContact N-O 3.42Å; S102-R115 PolarHBondContact O-N 3.2Å; S102-H117 VanDerWaalsContact CB-CB 3.44Å; S102-K134 PolarHBondContact OG-NZ 3.45Å
103R83.5Confident85.2Confident160 Ų16059.3 Ų59.360%0.60435%0.348SS*.EExtended strand (participates in β ladder)trans-68.6142175.2-66.4-173.9-175.6-174.62.1109.9K134R103-K134 PolarHBondContact O-NZ 3.3Å
104V77.1Confident84.5Confident37 Ų3765.6 Ų65.622%0.22437%0.374CS..EExtended strand (participates in β ladder)trans-81.7129.8171.5-176.50000108.5L111 V113 R115V104-L111 HydrophobicContact CB-CB 4.48Å; V104-L111 HydrophobicContact CG1-CD1 4.25Å; V104-L111 PolarHBondContact O-N 3.1Å; V104-V113 PolarHBondContact N-O 3.16Å; V104-R115 HydrophobicContact CG2-CB 4.05Å; V104-R115 HydrophobicContact CG2-CG 3.62Å
105S70.6Confident83.9Confident81 Ų8169.8 Ų69.857%0.56639%0.388SS*.EExtended strand (participates in β ladder)trans-106.9130.2175.454.10000110.5V109S105-V109 WeakPolarHBondContact CA-O 3.17Å
106L69.3Low83.5Confident128 Ų12874.9 Ų74.967%0.6741%0.407SS*.EExtended strand (participates in β ladder)trans-111.496.3167.7-173.170.1000107.9I108 V109L106-I108 PolarHBondContact O-N 3.38Å; L106-V109 PolarHBondContact N-O 3.41Å; L106-V109 PolarHBondContact O-N 3.38Å; L106-V109 VanDerWaalsContact O-N 3.14Å
107G73.6Confident83.3Confident71 Ų7175 Ų7573%0.73241%0.408SS*.THydrogen-bonded Turntrans60.8-122.5-168.800000111.2
108I73.4Confident83.2Confident180 Ų18075.6 Ų75.692%0.92341%0.41SS*.THydrogen-bonded Turntrans-84.6-13.1-179.1-53.4171.7000111.6L106L106-I108 PolarHBondContact O-N 3.38Å
109V74.3Confident83.1Confident93 Ų9375.9 Ų75.956%0.56441%0.411SS*.EExtended strand (participates in β ladder)trans-91.2123-175.6-177.50000110.4S105 L106S105-V109 WeakPolarHBondContact CA-O 3.17Å; L106-V109 PolarHBondContact N-O 3.41Å; L106-V109 PolarHBondContact O-N 3.38Å; L106-V109 VanDerWaalsContact O-N 3.14Å
110S75.9Confident83.2Confident63 Ų6375 Ų7544%0.44141%0.406SS..EExtended strand (participates in β ladder)trans-85.5123.116886.20000110
111L78.9Confident83.5Confident65 Ų6574.4 Ų74.434%0.3440%0.403SS..EExtended strand (participates in β ladder)trans-77.2149.8174.8-62.4175.9000110.4V104 V113V104-L111 HydrophobicContact CB-CB 4.48Å; V104-L111 HydrophobicContact CG1-CD1 4.25Å; V104-L111 PolarHBondContact O-N 3.1Å; L111-V113 PolarHBondContact O-N 3.05Å
112P76.9Confident83.8Confident128 Ų12875.4 Ų75.483%0.83140%0.401SS*.EExtended strand (participates in β ladder)trans-71.42178.229.9-35000113.5
113V80.3Confident84.3Confident80 Ų8077.9 Ų77.949%0.48541%0.41SS..EExtended strand (participates in β ladder)trans-88.3126.6177.3-177.50000109.7V104 L111 R115V104-V113 PolarHBondContact N-O 3.16Å; L111-V113 PolarHBondContact O-N 3.05Å; V113-R115 HydrophobicContact CG1-CG 4.48Å
114K83Confident84.9Confident145 Ų14571.2 Ų71.263%0.6339%0.387SS*.EExtended strand (participates in β ladder)trans-93.6135169.8-63.4-177-177.1-179.30109.4P101 S102P101-K114 HydrophobicContact CB-CB 4.48Å; P101-K114 HydrophobicContact CB-CD 4.25Å; S102-K114 CarbonylContact O-C 3.57Å; S102-K114 WeakPolarHBondContact O-CA 3.34Å
115R86.6Confident85.7Confident136 Ų13675 Ų7551%0.51341%0.407SS..EExtended strand (participates in β ladder)trans-121.7159.6170.9-71.9-170.8179.9-172.8-0110E14 S102 V104 V113E14-R115 IonicContact OE1-NH1 2.79Å; E14-R115 PolarHBondContact OE1-NH1 2.92Å; S102-R115 PolarHBondContact N-O 3.42Å; S102-R115 PolarHBondContact O-N 3.2Å; V104-R115 HydrophobicContact CG2-CB 4.05Å; V104-R115 HydrophobicContact CG2-CG 3.62Å; V113-R115 HydrophobicContact CG1-CG 4.48Å
116R89.6Confident86.8Confident109 Ų10973.4 Ų73.441%0.41140%0.402SS..EExtended strand (participates in β ladder)trans-64.1142.9170.9-65.3-48.8-161.3149.97110.3N99 V159N99-R116 WeakPolarHBondContact OD1-CB 3.33Å; N99-R116 WeakPolarHBondContact OD1-CD 3.43Å; R116-V159 VanDerWaalsContact NH1-C 3.31Å; R116-V159 PolarHBondContact NH1-O 2.9Å; R116-V159 PolarHBondContact NH2-O 3.04Å
117H93.2Very high88.1Confident3 Ų371.7 Ų71.71%0.01439%0.391CS..EExtended strand (participates in β ladder)trans-146.4128.9-178.5179.262.9000110.1Q11 C16 N99 V100 S102 D132Q11-H117 PolarHBondContact OE1-CE1 3.4Å; C16-H117 WeakPolarHBondContact CB-ND1 3.33Å; N99-H117 WeakPolarHBondContact CA-O 3.42Å; V100-H117 PolarHBondContact N-O 3.22Å; V100-H117 PolarHBondContact O-N 2.83Å; S102-H117 VanDerWaalsContact CB-CB 3.44Å; H117-D132 IonicContact CD2-OD1 3.93Å; H117-D132 IonicContact CD2-OD2 2.71Å; H117-D132 IonicContact CE1-OD1 3.58Å; H117-D132 IonicContact NE2-OD1 3.75Å; H117-D132 PolarHBondContact NE2-OD1 2.97Å; H117-D132 IonicContact NE2-OD2 3.87Å
118W95.9Very high89.3Confident13 Ų1368.7 Ų68.75%0.04936%0.357CS..EExtended strand (participates in β ladder)trans-88.6125.4174.8-59.3109000109.6C16 A17 A20 Y60 V62 I65 I97 L98 N99 L163C16-W118 HydrophobicContact CB-CB 4.44Å; A17-W118 HydrophobicContact CB-CG 4.28Å; A20-W118 HydrophobicContact CB-CB 4Å; Y60-W118 PolarHBondContact O-NE1 3.29Å; V62-W118 HydrophobicContact CB-CH2 3.94Å; V62-W118 HydrophobicContact CB-CZ2 4.17Å; V62-W118 HydrophobicContact CG2-CH2 4.21Å; I65-W118 HydrophobicContact CD1-CD2 3.57Å; I65-W118 HydrophobicContact CD1-CE3 3.76Å; I65-W118 HydrophobicContact CD1-CG 4.05Å; I65-W118 HydrophobicContact CD1-CH2 4.07Å; I65-W118 HydrophobicContact CD1-CZ2 3.93Å; I65-W118 HydrophobicContact CD1-CZ3 3.95Å; I97-W118 HydrophobicContact CG2-CE3 3.66Å; I97-W118 HydrophobicContact CG2-CZ3 4.18Å; L98-W118 VanDerWaalsContact O-CA 3.29Å; L98-W118 WeakPolarHBondContact O-CA 3.4Å; N99-W118 HydrophobicContact CB-CD2 4.27Å; N99-W118 HydrophobicContact CB-CE3 3.63Å; N99-W118 HydrophobicContact CB-CH2 3.84Å; N99-W118 HydrophobicContact CB-CZ2 4.42Å; N99-W118 HydrophobicContact CB-CZ3 3.44Å; N99-W118 VanDerWaalsContact CB-CZ3 3.44Å; N99-W118 VanDerWaalsContact ND2-CH2 3.29Å; N99-W118 WeakPolarHBondContact ND2-CH2 3.34Å; N99-W118 WeakPolarHBondContact ND2-CZ2 3.4Å; W118-L163 HydrophobicContact CZ3-CD1 4.17Å
119L96.4Very high90.5Very high5 Ų562.2 Ų62.23%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-127.9153.9170.968.883.9000110.6I97 L98 V100 V121 D132I97-L119 CarbonylContact C-O 3.5Å; I97-L119 WeakPolarHBondContact CA-O 3.24Å; L98-L119 HydrophobicContact CB-CD1 4.01Å; L98-L119 HydrophobicContact CB-CG 4.11Å; L98-L119 HydrophobicContact CD1-CD1 3.92Å; L98-L119 HydrophobicContact CG-CD1 4.39Å; L98-L119 PolarHBondContact N-O 2.89Å; L98-L119 PolarHBondContact O-N 3.47Å; V100-L119 HydrophobicContact CG2-CD2 3.6Å; V100-L119 HydrophobicContact CG2-CG 4.43Å; L119-V121 HydrophobicContact CD1-CG2 4.03Å; L119-D132 HydrophobicContact CB-CB 3.8Å; L119-D132 HydrophobicContact CD2-CB 4.37Å
120A98.4Very high91.6Very high0 Ų058.8 Ų58.80%030%0.3CS..EExtended strand (participates in β ladder)trans-108.9146.1179.800000111.6A20 N23 V24 F96 L131A20-A120 HydrophobicContact CB-CB 4.32Å; A20-A120 WeakPolarHBondContact O-CB 3.32Å; N23-A120 HydrophobicContact CB-CB 3.86Å; V24-A120 HydrophobicContact CB-CB 3.95Å; F96-A120 CarbonylContact O-C 3.56Å; F96-A120 WeakPolarHBondContact O-CA 3.23Å; A120-L131 HydrophobicContact CB-CB 4.25Å; A120-L131 CarbonylContact O-C 3.59Å; A120-L131 WeakPolarHBondContact O-CA 3.41Å; A120-L131 WeakPolarHBondContact O-CB 3.41Å; A120-L131 PolarHBondContact O-N 3.48Å
121V98.6Very high92.7Very high0 Ų055.8 Ų55.80%028%0.279CS..EExtended strand (participates in β ladder)trans-128.6133.1167.4178.30000108.4G95 F96 L98 L119 Y128 Y129 I141 L147 F150G95-V121 WeakPolarHBondContact CA-O 3.42Å; F96-V121 HydrophobicContact CB-CB 4.17Å; F96-V121 HydrophobicContact CD2-CB 4.17Å; F96-V121 HydrophobicContact CD2-CG1 4.16Å; F96-V121 PolarHBondContact N-O 3.43Å; F96-V121 PolarHBondContact O-N 3.05Å; L98-V121 HydrophobicContact CD1-CG2 3.99Å; L119-V121 HydrophobicContact CD1-CG2 4.03Å; V121-Y128 HydrophobicContact CG1-CD1 4.46Å; V121-Y129 WeakPolarHBondContact CA-O 3.38Å; V121-I141 HydrophobicContact CG1-CD1 3.65Å; V121-I141 HydrophobicContact CG2-CD1 4.25Å; V121-L147 HydrophobicContact CG1-CD1 3.61Å; V121-F150 HydrophobicContact CG2-CD1 4.42Å; V121-F150 HydrophobicContact CG2-CE1 3.66Å; V121-F150 HydrophobicContact CG2-CZ 4.34Å
122R98.1Very high93.5Very high61 Ų6153.7 Ų53.723%0.2327%0.268CS..EExtended strand (participates in β ladder)trans-148.8143.5-175.4177.157.9169.1150.93.5110.8V24 Q26 Q94 V124 Y129 L131V24-R122 WeakPolarHBondContact O-CD 3.31Å; V24-R122 PolarHBondContact O-NE 3.13Å; Q26-R122 HydrophobicContact CG-CG 3.93Å; Q94-R122 VanDerWaalsContact CG-CZ 3.46Å; Q94-R122 WeakPolarHBondContact O-CD 3.33Å; Q94-R122 PolarHBondContact O-NE 3.03Å; Q94-R122 PolarHBondContact O-NH1 2.89Å; R122-V124 HydrophobicContact CG-CG2 4.12Å; R122-Y129 PolarHBondContact N-O 3.41Å; R122-Y129 PolarHBondContact O-N 3.47Å; R122-L131 HydrophobicContact CB-CD1 3.79Å
123Q97.6Very high94.4Very high77 Ų7747.7 Ų47.736%0.3623%0.23SC..EExtended strand (participates in β ladder)trans-78130.3167.6-156.7-176.223.900110.5G126 H127 Y128Q123-G126 PolarHBondContact NE2-O 3.29Å; Q123-H127 CarbonylContact C-O 3.55Å; Q123-H127 VanDerWaalsContact CA-O 3.29Å; Q123-H127 WeakPolarHBondContact CA-O 3.38Å; Q123-Y128 HydrophobicContact CB-CD1 3.88Å; Q123-Y128 HydrophobicContact CB-CE1 3.53Å; Q123-Y128 HydrophobicContact CB-CE2 4.45Å; Q123-Y128 HydrophobicContact CB-CG 4.47Å; Q123-Y128 HydrophobicContact CG-CD1 4.34Å; Q123-Y128 HydrophobicContact CG-CD2 4.36Å; Q123-Y128 HydrophobicContact CG-CE1 4.05Å; Q123-Y128 HydrophobicContact CG-CE2 4.05Å; Q123-Y128 HydrophobicContact CG-CG 4.48Å
124V95.8Very high95Very high20 Ų2048 Ų4812%0.12122%0.224CC..EExtended strand (participates in β ladder)trans-138.3128.3174-172.10000107.3V6 Q26 R122 G126 H127 Y129V6-V124 HydrophobicContact CG1-CG2 4.29Å; V6-V124 HydrophobicContact CG2-CB 4.22Å; V6-V124 HydrophobicContact CG2-CG1 4.03Å; Q26-V124 HydrophobicContact CG-CG2 3.92Å; R122-V124 HydrophobicContact CG-CG2 4.12Å; V124-G126 VanDerWaalsContact C-N 3.25Å; V124-G126 PolarHBondContact O-N 2.97Å; V124-H127 PolarHBondContact N-O 3.44Å; V124-H127 PolarHBondContact O-N 2.78Å; V124-H127 VanDerWaalsContact O-N 3.09Å; V124-H127 VanDerWaalsContact O-O 3.11Å; V124-Y129 HydrophobicContact CB-CD2 4.15Å; V124-Y129 HydrophobicContact CB-CE2 4.16Å; V124-Y129 HydrophobicContact CG2-CD2 4.42Å
125N92.9Very high95.5Very high118 Ų11843.4 Ų43.463%0.63121%0.207SC*.THydrogen-bonded Turntrans5044.6180-56.4-26.6000113.3H127N125-H127 VanDerWaalsContact C-N 3.28Å; N125-H127 PolarHBondContact O-N 3.35Å; N125-H127 PolarHBondContact O-ND1 3.3Å
126G93.8Very high95.8Very high46 Ų4646 Ų4647%0.47422%0.221SC..THydrogen-bonded Turntrans81.4-10.2177.100000116Q123 V124Q123-G126 PolarHBondContact NE2-O 3.29Å; V124-G126 VanDerWaalsContact C-N 3.25Å; V124-G126 PolarHBondContact O-N 2.97Å
127H96.8Very high96Very high92 Ų9244.1 Ų44.143%0.42623%0.225SC..EExtended strand (participates in β ladder)trans-114.7145-178.3-6381.6000111.7Q123 V124 N125 Y129 G142Q123-H127 CarbonylContact C-O 3.55Å; Q123-H127 VanDerWaalsContact CA-O 3.29Å; Q123-H127 WeakPolarHBondContact CA-O 3.38Å; V124-H127 PolarHBondContact N-O 3.44Å; V124-H127 PolarHBondContact O-N 2.78Å; V124-H127 VanDerWaalsContact O-N 3.09Å; V124-H127 VanDerWaalsContact O-O 3.11Å; N125-H127 VanDerWaalsContact C-N 3.28Å; N125-H127 PolarHBondContact O-N 3.35Å; N125-H127 PolarHBondContact O-ND1 3.3Å; H127-Y129 HydrophobicContact CB-CE2 3.74Å; H127-Y129 VanDerWaalsContact O-CD2 3.28Å; H127-Y129 WeakPolarHBondContact O-CD2 3.33Å; H127-Y129 WeakPolarHBondContact O-CE2 3.46Å; H127-G142 CarbonylContact C-O 3.56Å; H127-G142 WeakPolarHBondContact CA-O 3.29Å
128Y98.4Very high96.2Very high8 Ų845.7 Ų45.73%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-84.1139.4172.8-69.9-84.1000110.6V90 F96 V121 Q123 I141 G142 E144 L147V90-Y128 HydrophobicContact CG1-CE1 4.32Å; V90-Y128 WeakPolarHBondContact CG1-OH 3.36Å; F96-Y128 HydrophobicContact CE2-CE1 4.3Å; V121-Y128 HydrophobicContact CG1-CD1 4.46Å; Q123-Y128 HydrophobicContact CB-CD1 3.88Å; Q123-Y128 HydrophobicContact CB-CE1 3.53Å; Q123-Y128 HydrophobicContact CB-CE2 4.45Å; Q123-Y128 HydrophobicContact CB-CG 4.47Å; Q123-Y128 HydrophobicContact CG-CD1 4.34Å; Q123-Y128 HydrophobicContact CG-CD2 4.36Å; Q123-Y128 HydrophobicContact CG-CE1 4.05Å; Q123-Y128 HydrophobicContact CG-CE2 4.05Å; Q123-Y128 HydrophobicContact CG-CG 4.48Å; Y128-I141 WeakPolarHBondContact O-CB 3.28Å; Y128-I141 PolarHBondContact O-N 2.96Å; Y128-G142 PolarHBondContact N-O 2.79Å; Y128-G142 PolarHBondContact O-N 2.8Å; Y128-E144 HydrophobicContact CE2-CB 4.45Å; Y128-L147 HydrophobicContact CD1-CB 4.48Å; Y128-L147 HydrophobicContact CD1-CD1 3.85Å; Y128-L147 HydrophobicContact CD1-CD2 3.71Å; Y128-L147 HydrophobicContact CD1-CG 4.21Å; Y128-L147 HydrophobicContact CD2-CB 3.91Å; Y128-L147 HydrophobicContact CD2-CD2 4.09Å; Y128-L147 HydrophobicContact CD2-CG 4.45Å; Y128-L147 HydrophobicContact CE1-CD1 4.47Å; Y128-L147 HydrophobicContact CE1-CD2 3.52Å; Y128-L147 HydrophobicContact CE1-CG 4.49Å; Y128-L147 HydrophobicContact CE2-CB 4.41Å; Y128-L147 HydrophobicContact CE2-CD2 3.93Å; Y128-L147 HydrophobicContact CG-CB 3.97Å; Y128-L147 HydrophobicContact CG-CD1 4Å; Y128-L147 HydrophobicContact CG-CD2 3.99Å; Y128-L147 HydrophobicContact CG-CG 4.2Å
129Y98.4Very high96.3Very high44 Ų4448.4 Ų48.417%0.17325%0.253CS..EExtended strand (participates in β ladder)trans-124.7138.1177.7-67.1-93.4000110.7V6 V121 R122 V124 H127 L131 P138 V139 C140V6-Y129 HydrophobicContact CG1-CG 4.44Å; V6-Y129 HydrophobicContact CG2-CD2 4.33Å; V6-Y129 HydrophobicContact CG2-CE1 4.27Å; V6-Y129 HydrophobicContact CG2-CE2 4.03Å; V121-Y129 WeakPolarHBondContact CA-O 3.38Å; R122-Y129 PolarHBondContact N-O 3.41Å; R122-Y129 PolarHBondContact O-N 3.47Å; V124-Y129 HydrophobicContact CB-CD2 4.15Å; V124-Y129 HydrophobicContact CB-CE2 4.16Å; V124-Y129 HydrophobicContact CG2-CD2 4.42Å; H127-Y129 HydrophobicContact CB-CE2 3.74Å; H127-Y129 VanDerWaalsContact O-CD2 3.28Å; H127-Y129 WeakPolarHBondContact O-CD2 3.33Å; H127-Y129 WeakPolarHBondContact O-CE2 3.46Å; Y129-L131 PolarHBondContact O-N 2.87Å; Y129-P138 HydrophobicContact CD1-CB 3.95Å; Y129-V139 CarbonylContact C-O 3.55Å; Y129-V139 WeakPolarHBondContact CA-O 3.43Å; Y129-C140 HydrophobicContact CD1-CB 4.03Å; Y129-C140 HydrophobicContact CE1-CB 3.7Å
130N98.4Very high96.4Very high22 Ų2251.4 Ų51.412%0.11827%0.274CS..EExtended strand (participates in β ladder)trans-76.4114.1160.2179.41000107.9D132 L135 V139 I141 F150N130-D132 VanDerWaalsContact OD1-CB 3.29Å; N130-D132 WeakPolarHBondContact OD1-CB 3.41Å; N130-D132 PolarHBondContact OD1-N 2.81Å; N130-L135 HydrophobicContact CB-CD1 4.42Å; N130-V139 HydrophobicContact CB-CB 4.34Å; N130-V139 PolarHBondContact N-O 2.85Å; N130-V139 PolarHBondContact O-N 3.33Å; N130-V139 VanDerWaalsContact O-N 3.11Å; N130-I141 HydrophobicContact CB-CD1 4.06Å; N130-I141 HydrophobicContact CB-CG1 4.11Å; N130-F150 HydrophobicContact CB-CE2 4.5Å; N130-F150 HydrophobicContact CB-CZ 4.31Å
131L97.9Very high96.4Very high0 Ų052.8 Ų52.80%028%0.281CS..  trans-110.133.7-179.1-55.3173.4000110.9V6 N23 A120 R122 Y129 S133 P138V6-L131 HydrophobicContact CG1-CD2 3.7Å; N23-L131 HydrophobicContact CB-CB 3.79Å; N23-L131 HydrophobicContact CB-CD1 4.12Å; N23-L131 PolarHBondContact ND2-O 3.25Å; N23-L131 VanDerWaalsContact O-CD1 3.31Å; N23-L131 WeakPolarHBondContact O-CD1 3.2Å; A120-L131 HydrophobicContact CB-CB 4.25Å; A120-L131 CarbonylContact O-C 3.59Å; A120-L131 WeakPolarHBondContact O-CA 3.41Å; A120-L131 WeakPolarHBondContact O-CB 3.41Å; A120-L131 PolarHBondContact O-N 3.48Å; R122-L131 HydrophobicContact CB-CD1 3.79Å; Y129-L131 PolarHBondContact O-N 2.87Å; L131-S133 PolarHBondContact O-N 2.98Å; L131-S133 VanDerWaalsContact O-N 3.14Å; L131-P138 HydrophobicContact CD2-CB 3.78Å; L131-P138 HydrophobicContact CD2-CG 3.86Å
132D96.8Very high96.3Very high20 Ų2053.3 Ų53.311%0.10729%0.286CS..  trans-52.5122.4168-177.3-7.7000109.4H8 H117 L119 N130 K134 L135H8-D132 PolarHBondContact NE2-O 3.47Å; H117-D132 IonicContact CD2-OD1 3.93Å; H117-D132 IonicContact CD2-OD2 2.71Å; H117-D132 IonicContact CE1-OD1 3.58Å; H117-D132 IonicContact NE2-OD1 3.75Å; H117-D132 PolarHBondContact NE2-OD1 2.97Å; H117-D132 IonicContact NE2-OD2 3.87Å; L119-D132 HydrophobicContact CB-CB 3.8Å; L119-D132 HydrophobicContact CD2-CB 4.37Å; N130-D132 VanDerWaalsContact OD1-CB 3.29Å; N130-D132 WeakPolarHBondContact OD1-CB 3.41Å; N130-D132 PolarHBondContact OD1-N 2.81Å; D132-K134 PolarHBondContact O-N 3.23Å; D132-K134 WeakPolarHBondContact OD1-CB 3.41Å; D132-K134 PolarHBondContact OD1-N 3.03Å; D132-L135 HydrophobicContact CB-CD1 3.82Å; D132-L135 HydrophobicContact CB-CG 3.94Å; D132-L135 WeakPolarHBondContact O-CB 3.31Å; D132-L135 PolarHBondContact O-N 3.23Å
133S94.7Very high96.3Very high3 Ų354.3 Ų54.32%0.02130%0.296CS..THydrogen-bonded Turntrans-64.9-16.7-179.158.50000112.7E9 K10 Q11 L131 L135E9-S133 WeakPolarHBondContact O-CB 3.45Å; K10-S133 CarbonylContact C-O 3.58Å; K10-S133 WeakPolarHBondContact CA-O 3.06Å; Q11-S133 PolarHBondContact N-O 3.41Å; L131-S133 PolarHBondContact O-N 2.98Å; L131-S133 VanDerWaalsContact O-N 3.14Å; S133-L135 VanDerWaalsContact C-N 3.31Å
134K93.2Very high96.3Very high85 Ų8554 Ų5437%0.3730%0.295SS..THydrogen-bonded Turntrans-75.8-15.7171.9-66.2-175.3176.1-174.70113.9Q11 S102 R103 D132Q11-K134 VanDerWaalsContact OE1-CG 3.25Å; S102-K134 PolarHBondContact OG-NZ 3.45Å; R103-K134 PolarHBondContact O-NZ 3.3Å; D132-K134 PolarHBondContact O-N 3.23Å; D132-K134 WeakPolarHBondContact OD1-CB 3.41Å; D132-K134 PolarHBondContact OD1-N 3.03Å
135L93.4Very high96.3Very high50 Ų5055.9 Ų55.926%0.26231%0.312SS..SBendtrans-74.4154.4179.9-63.6168.7000111.4H8 N130 D132 S133 S137 V139H8-L135 PolarHBondContact CE1-O 3.05Å; N130-L135 HydrophobicContact CB-CD1 4.42Å; D132-L135 HydrophobicContact CB-CD1 3.82Å; D132-L135 HydrophobicContact CB-CG 3.94Å; D132-L135 WeakPolarHBondContact O-CB 3.31Å; D132-L135 PolarHBondContact O-N 3.23Å; S133-L135 VanDerWaalsContact C-N 3.31Å; L135-S137 VanDerWaalsContact C-N 3.27Å; L135-S137 WeakPolarHBondContact CB-O 3.22Å; L135-V139 HydrophobicContact CD1-CB 4.27Å; L135-V139 HydrophobicContact CD1-CG2 3.86Å; L135-V139 HydrophobicContact CD2-CG2 4.34Å
136K92.6Very high96.6Very high190 Ų19053.5 Ų53.583%0.82630%0.3SS*.SBendtrans-73-22.2174.2-70.1-174.9179.6179.50112.8K10K10-K136 WeakPolarHBondContact CE-O 3.45Å; K10-K136 PolarHBondContact NZ-O 3.39Å
137S94.9Very high96.8Very high69 Ų6951.3 Ų51.348%0.48328%0.277SS..SBendtrans-163163.1179.654.60000108.8L135 V139L135-S137 VanDerWaalsContact C-N 3.27Å; L135-S137 WeakPolarHBondContact CB-O 3.22Å; S137-V139 PolarHBondContact O-N 3.02Å
138P97.1Very high96.8Very high36 Ų3648.8 Ų48.823%0.23426%0.264CS..  trans-50.4138.1168.4-29.838.7000111.7V6 H8 Y129 L131V6-P138 HydrophobicContact CB-CB 4.46Å; V6-P138 HydrophobicContact CB-CG 4.08Å; V6-P138 HydrophobicContact CG1-CB 3.98Å; V6-P138 HydrophobicContact CG1-CG 3.72Å; H8-P138 HydrophobicContact CB-CG 3.59Å; Y129-P138 HydrophobicContact CD1-CB 3.95Å; L131-P138 HydrophobicContact CD2-CB 3.78Å; L131-P138 HydrophobicContact CD2-CG 3.86Å
139V97.8Very high96.8Very high71 Ų7152.2 Ų52.243%0.4329%0.285SS..EExtended strand (participates in β ladder)trans-109119172.7172.60000107.8Y129 N130 L135 S137 I141Y129-V139 CarbonylContact C-O 3.55Å; Y129-V139 WeakPolarHBondContact CA-O 3.43Å; N130-V139 HydrophobicContact CB-CB 4.34Å; N130-V139 PolarHBondContact N-O 2.85Å; N130-V139 PolarHBondContact O-N 3.33Å; N130-V139 VanDerWaalsContact O-N 3.11Å; L135-V139 HydrophobicContact CD1-CB 4.27Å; L135-V139 HydrophobicContact CD1-CG2 3.86Å; L135-V139 HydrophobicContact CD2-CG2 4.34Å; S137-V139 PolarHBondContact O-N 3.02Å; V139-I141 PolarHBondContact O-N 3.37Å
140C97.8Very high96.7Very high67 Ų6751.4 Ų51.445%0.45328%0.283SS..EExtended strand (participates in β ladder)trans-64.6125.2175.7-168.40000109.3Y129Y129-C140 HydrophobicContact CD1-CB 4.03Å; Y129-C140 HydrophobicContact CE1-CB 3.7Å
141I98.4Very high96.7Very high30 Ų3050.4 Ų50.415%0.15428%0.278CS..EExtended strand (participates in β ladder)trans-85.5-43.4171.3-62.6166.9000108.8V121 Y128 N130 V139 D146 F150V121-I141 HydrophobicContact CG1-CD1 3.65Å; V121-I141 HydrophobicContact CG2-CD1 4.25Å; Y128-I141 WeakPolarHBondContact O-CB 3.28Å; Y128-I141 PolarHBondContact O-N 2.96Å; N130-I141 HydrophobicContact CB-CD1 4.06Å; N130-I141 HydrophobicContact CB-CG1 4.11Å; V139-I141 PolarHBondContact O-N 3.37Å; I141-D146 HydrophobicContact CG2-CB 4.06Å; I141-D146 VanDerWaalsContact O-CB 3.29Å; I141-D146 WeakPolarHBondContact O-CB 3.44Å; I141-F150 HydrophobicContact CD1-CD1 3.81Å; I141-F150 HydrophobicContact CD1-CD2 4.19Å; I141-F150 HydrophobicContact CD1-CE1 4Å; I141-F150 HydrophobicContact CD1-CE2 4.33Å; I141-F150 HydrophobicContact CD1-CG 3.92Å; I141-F150 HydrophobicContact CD1-CZ 4.24Å; I141-F150 HydrophobicContact CG1-CD2 4.23Å; I141-F150 HydrophobicContact CG1-CG 4.31Å; I141-F150 HydrophobicContact CG2-CB 3.81Å; I141-F150 HydrophobicContact CG2-CG 4.2Å
142G97.8Very high96.6Very high10 Ų1052.9 Ų52.910%0.10330%0.295CS..EExtended strand (participates in β ladder)trans124.9-138.1179.900000112.5H127 Y128 D146H127-G142 CarbonylContact C-O 3.56Å; H127-G142 WeakPolarHBondContact CA-O 3.29Å; Y128-G142 PolarHBondContact N-O 2.79Å; Y128-G142 PolarHBondContact O-N 2.8Å; G142-D146 WeakPolarHBondContact CA-OD2 3.13Å
143N97.6Very high96.4Very high83 Ų8357.6 Ų57.644%0.44432%0.316SS..SBendtrans-87.6-169.5-179.265.446.2000111.9A145 D146 L147N143-A145 PolarHBondContact O-N 3.4Å; N143-A145 WeakPolarHBondContact OD1-CA 3.47Å; N143-A145 VanDerWaalsContact OD1-CB 3.3Å; N143-A145 WeakPolarHBondContact OD1-CB 3.33Å; N143-A145 PolarHBondContact OD1-N 2.8Å; N143-D146 PolarHBondContact N-OD2 2.96Å; N143-D146 PolarHBondContact ND2-OD2 2.8Å; N143-D146 PolarHBondContact O-N 3.38Å; N143-D146 PolarHBondContact OD1-N 3.2Å; N143-D146 VanDerWaalsContact OD1-N 3.16Å; N143-D146 PolarHBondContact OD1-OD2 2.83Å; N143-L147 PolarHBondContact O-N 3.12Å
144E97Very high96.4Very high71 Ų7160 Ų6033%0.33233%0.327SS..Hα-helixtrans-64.1-36.3179.6-168.4-170.5131.900113.7V90 Y128 D146 L147 R148V90-E144 HydrophobicContact CB-CG 4.21Å; V90-E144 HydrophobicContact CG1-CG 4.23Å; V90-E144 HydrophobicContact CG2-CG 3.99Å; Y128-E144 HydrophobicContact CE2-CB 4.45Å; E144-D146 VanDerWaalsContact C-N 3.34Å; E144-L147 WeakPolarHBondContact O-CB 3.41Å; E144-L147 PolarHBondContact O-N 3.23Å; E144-R148 WeakPolarHBondContact O-CG 3.2Å; E144-R148 PolarHBondContact O-N 3Å; E144-R148 IonicContact OE1-CZ 3.15Å; E144-R148 IonicContact OE1-NE 3.3Å; E144-R148 PolarHBondContact OE1-NE 2.83Å; E144-R148 IonicContact OE1-NH2 2.9Å; E144-R148 PolarHBondContact OE1-NH2 3.41Å
145A97.1Very high96.4Very high59 Ų5956.9 Ų56.949%0.48831%0.314SS..Hα-helixtrans-66.1-41.1177.300000110.9N143 R148 T149N143-A145 PolarHBondContact O-N 3.4Å; N143-A145 WeakPolarHBondContact OD1-CA 3.47Å; N143-A145 VanDerWaalsContact OD1-CB 3.3Å; N143-A145 WeakPolarHBondContact OD1-CB 3.33Å; N143-A145 PolarHBondContact OD1-N 2.8Å; A145-R148 PolarHBondContact O-N 2.76Å; A145-T149 PolarHBondContact O-N 2.85Å; A145-T149 VanDerWaalsContact O-N 3.1Å; A145-T149 PolarHBondContact O-OG1 2.84Å
146D98.1Very high96.2Very high68 Ų6858.8 Ų58.836%0.36433%0.332SS..Hα-helixtrans-64.7-41.4174.8-54.5-46.2000110.9I141 G142 N143 E144 T149 F150I141-D146 HydrophobicContact CG2-CB 4.06Å; I141-D146 VanDerWaalsContact O-CB 3.29Å; I141-D146 WeakPolarHBondContact O-CB 3.44Å; G142-D146 WeakPolarHBondContact CA-OD2 3.13Å; N143-D146 PolarHBondContact N-OD2 2.96Å; N143-D146 PolarHBondContact ND2-OD2 2.8Å; N143-D146 PolarHBondContact O-N 3.38Å; N143-D146 PolarHBondContact OD1-N 3.2Å; N143-D146 VanDerWaalsContact OD1-N 3.16Å; N143-D146 PolarHBondContact OD1-OD2 2.83Å; E144-D146 VanDerWaalsContact C-N 3.34Å; D146-T149 PolarHBondContact O-N 3.46Å; D146-F150 WeakPolarHBondContact O-CB 3.46Å; D146-F150 PolarHBondContact O-N 3.43Å
147L98.3Very high95.9Very high0 Ų052 Ų520%031%0.307CS..Hα-helixtrans-57.6-49.9173.1173.973.8000111.7V90 F96 V121 Y128 N143 E144 T149 F150 L151V90-L147 HydrophobicContact CG1-CD2 3.82Å; V90-L147 HydrophobicContact CG2-CD2 4.44Å; F96-L147 HydrophobicContact CD2-CD1 4.38Å; F96-L147 HydrophobicContact CE2-CD1 4.17Å; F96-L147 HydrophobicContact CE2-CD2 3.79Å; F96-L147 HydrophobicContact CZ-CD2 4.02Å; V121-L147 HydrophobicContact CG1-CD1 3.61Å; Y128-L147 HydrophobicContact CD1-CB 4.48Å; Y128-L147 HydrophobicContact CD1-CD1 3.85Å; Y128-L147 HydrophobicContact CD1-CD2 3.71Å; Y128-L147 HydrophobicContact CD1-CG 4.21Å; Y128-L147 HydrophobicContact CD2-CB 3.91Å; Y128-L147 HydrophobicContact CD2-CD2 4.09Å; Y128-L147 HydrophobicContact CD2-CG 4.45Å; Y128-L147 HydrophobicContact CE1-CD1 4.47Å; Y128-L147 HydrophobicContact CE1-CD2 3.52Å; Y128-L147 HydrophobicContact CE1-CG 4.49Å; Y128-L147 HydrophobicContact CE2-CB 4.41Å; Y128-L147 HydrophobicContact CE2-CD2 3.93Å; Y128-L147 HydrophobicContact CG-CB 3.97Å; Y128-L147 HydrophobicContact CG-CD1 4Å; Y128-L147 HydrophobicContact CG-CD2 3.99Å; Y128-L147 HydrophobicContact CG-CG 4.2Å; N143-L147 PolarHBondContact O-N 3.12Å; E144-L147 WeakPolarHBondContact O-CB 3.41Å; E144-L147 PolarHBondContact O-N 3.23Å; L147-T149 VanDerWaalsContact C-N 3.25Å; L147-T149 PolarHBondContact O-N 3.3Å; L147-F150 WeakPolarHBondContact O-CB 3.3Å; L147-F150 PolarHBondContact O-N 3.15Å; L147-L151 HydrophobicContact CD1-CD1 4Å; L147-L151 HydrophobicContact CD1-CD2 4.32Å; L147-L151 HydrophobicContact CD1-CG 3.94Å; L147-L151 HydrophobicContact CD2-CD1 4.36Å; L147-L151 HydrophobicContact CG-CD1 3.91Å; L147-L151 HydrophobicContact CG-CG 4.16Å; L147-L151 WeakPolarHBondContact O-CG 3.42Å; L147-L151 PolarHBondContact O-N 3.1Å
148R97.4Very high95.3Very high39 Ų3955.7 Ų55.715%0.14732%0.322CS..Hα-helixtrans-61.3-37.9-178.6-71.7177.4-172.4-82.710111.4V85 Q86 L88 E144 A145 S152V85-R148 HydrophobicContact CG2-CB 4.22Å; V85-R148 PolarHBondContact O-NH1 3.39Å; Q86-R148 PolarHBondContact O-NH1 2.94Å; L88-R148 PolarHBondContact O-NH1 3.41Å; L88-R148 VanDerWaalsContact O-NH1 3.14Å; L88-R148 PolarHBondContact O-NH2 3.26Å; E144-R148 WeakPolarHBondContact O-CG 3.2Å; E144-R148 PolarHBondContact O-N 3Å; E144-R148 IonicContact OE1-CZ 3.15Å; E144-R148 IonicContact OE1-NE 3.3Å; E144-R148 PolarHBondContact OE1-NE 2.83Å; E144-R148 IonicContact OE1-NH2 2.9Å; E144-R148 PolarHBondContact OE1-NH2 3.41Å; A145-R148 PolarHBondContact O-N 2.76Å; R148-S152 WeakPolarHBondContact O-CB 3.25Å; R148-S152 PolarHBondContact O-N 3.12Å; R148-S152 VanDerWaalsContact O-N 3.09Å; R148-S152 PolarHBondContact O-OG 3.37Å
149T97.6Very high94.8Very high79 Ų7957.3 Ų57.349%0.48533%0.331SS..Hα-helixtrans-63.5-52.3173.8-55.80000110.4A145 D146 L147 L151 S152 E153A145-T149 PolarHBondContact O-N 2.85Å; A145-T149 VanDerWaalsContact O-N 3.1Å; A145-T149 PolarHBondContact O-OG1 2.84Å; D146-T149 PolarHBondContact O-N 3.46Å; L147-T149 VanDerWaalsContact C-N 3.25Å; L147-T149 PolarHBondContact O-N 3.3Å; T149-L151 PolarHBondContact O-N 2.86Å; T149-S152 WeakPolarHBondContact O-CB 3.43Å; T149-S152 PolarHBondContact O-N 3.26Å; T149-E153 WeakPolarHBondContact O-CG 3.36Å; T149-E153 PolarHBondContact O-N 2.85Å
150F97.8Very high94.6Very high28 Ų2854 Ų5412%0.12331%0.31CS..Hα-helixtrans-55.2-48.3177.4176-89.5000112.6V121 N130 I141 D146 L147 S152 E153 Q154V121-F150 HydrophobicContact CG2-CD1 4.42Å; V121-F150 HydrophobicContact CG2-CE1 3.66Å; V121-F150 HydrophobicContact CG2-CZ 4.34Å; N130-F150 HydrophobicContact CB-CE2 4.5Å; N130-F150 HydrophobicContact CB-CZ 4.31Å; I141-F150 HydrophobicContact CD1-CD1 3.81Å; I141-F150 HydrophobicContact CD1-CD2 4.19Å; I141-F150 HydrophobicContact CD1-CE1 4Å; I141-F150 HydrophobicContact CD1-CE2 4.33Å; I141-F150 HydrophobicContact CD1-CG 3.92Å; I141-F150 HydrophobicContact CD1-CZ 4.24Å; I141-F150 HydrophobicContact CG1-CD2 4.23Å; I141-F150 HydrophobicContact CG1-CG 4.31Å; I141-F150 HydrophobicContact CG2-CB 3.81Å; I141-F150 HydrophobicContact CG2-CG 4.2Å; D146-F150 WeakPolarHBondContact O-CB 3.46Å; D146-F150 PolarHBondContact O-N 3.43Å; L147-F150 WeakPolarHBondContact O-CB 3.3Å; L147-F150 PolarHBondContact O-N 3.15Å; F150-S152 VanDerWaalsContact C-N 3.35Å; F150-S152 PolarHBondContact O-N 3.13Å; F150-E153 PolarHBondContact O-N 2.85Å; F150-Q154 HydrophobicContact CD1-CG 4.04Å; F150-Q154 HydrophobicContact CD2-CG 4.49Å; F150-Q154 HydrophobicContact CE1-CG 3.55Å; F150-Q154 HydrophobicContact CE2-CG 4.09Å; F150-Q154 HydrophobicContact CG-CG 4.48Å; F150-Q154 HydrophobicContact CZ-CG 3.6Å; F150-Q154 WeakPolarHBondContact O-CG 3.5Å; F150-Q154 PolarHBondContact O-N 2.74Å
151L97.1Very high94.5Very high1 Ų153.1 Ų53.11%0.00530%0.299CS..Hα-helixtrans-63.4-40.6179.7-67.8179.3000111.8V85 F96 L98 L147 T149 E153 Q154 L155 M162V85-L151 HydrophobicContact CG1-CB 4.26Å; F96-L151 HydrophobicContact CD1-CD1 4.12Å; F96-L151 HydrophobicContact CE1-CD1 3.92Å; F96-L151 HydrophobicContact CG-CD2 4.39Å; F96-L151 HydrophobicContact CZ-CD1 4.14Å; L98-L151 HydrophobicContact CD1-CD2 4.21Å; L98-L151 HydrophobicContact CD2-CD2 4.25Å; L147-L151 HydrophobicContact CD1-CD1 4Å; L147-L151 HydrophobicContact CD1-CD2 4.32Å; L147-L151 HydrophobicContact CD1-CG 3.94Å; L147-L151 HydrophobicContact CD2-CD1 4.36Å; L147-L151 HydrophobicContact CG-CD1 3.91Å; L147-L151 HydrophobicContact CG-CG 4.16Å; L147-L151 WeakPolarHBondContact O-CG 3.42Å; L147-L151 PolarHBondContact O-N 3.1Å; T149-L151 PolarHBondContact O-N 2.86Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 2.83Å; L151-Q154 PolarHBondContact O-N 2.75Å; L151-L155 WeakPolarHBondContact O-CB 3.49Å; L151-L155 VanDerWaalsContact O-CG 3.26Å; L151-L155 WeakPolarHBondContact O-CG 3.1Å; L151-L155 PolarHBondContact O-N 3Å; L151-M162 HydrophobicContact CD1-SD 4.21Å; L151-M162 HydrophobicContact CD2-SD 3.8Å; L151-M162 HydrophobicContact CG-SD 4.46Å
152S95.4Very high94.4Very high51 Ų5151.7 Ų51.736%0.35729%0.292SS..Hα-helixtrans-60.5-43.6176.5-57.50000111.5V85 R148 T149 F150 L155 S156V85-S152 WeakPolarHBondContact CG2-OG 3.38Å; R148-S152 WeakPolarHBondContact O-CB 3.25Å; R148-S152 PolarHBondContact O-N 3.12Å; R148-S152 VanDerWaalsContact O-N 3.09Å; R148-S152 PolarHBondContact O-OG 3.37Å; T149-S152 WeakPolarHBondContact O-CB 3.43Å; T149-S152 PolarHBondContact O-N 3.26Å; F150-S152 VanDerWaalsContact C-N 3.35Å; F150-S152 PolarHBondContact O-N 3.13Å; S152-L155 PolarHBondContact O-N 3.19Å; S152-S156 PolarHBondContact O-N 2.95Å; S152-S156 VanDerWaalsContact O-N 3.16Å
153E94.4Very high94.5Very high119 Ų11951.3 Ų51.356%0.55629%0.288SS*.Hα-helixtrans-65-46177.2-69.4176.6173.600111.9T149 F150 L151 L155 S156T149-E153 WeakPolarHBondContact O-CG 3.36Å; T149-E153 PolarHBondContact O-N 2.85Å; F150-E153 PolarHBondContact O-N 2.85Å; L151-E153 VanDerWaalsContact C-N 3.33Å; L151-E153 PolarHBondContact O-N 2.83Å; E153-L155 VanDerWaalsContact C-N 3.26Å; E153-L155 PolarHBondContact O-N 3.03Å; E153-S156 WeakPolarHBondContact O-CB 3.45Å; E153-S156 PolarHBondContact O-N 3.11Å; E153-S156 PolarHBondContact O-OG 3.14Å
154Q93.6Very high94.5Very high54 Ų5447.4 Ų47.425%0.25227%0.267SS..Hα-helixtrans-65-29.4179.7-68.2-58.3-47.500113L98 F150 L151 P157 A160L98-Q154 HydrophobicContact CD2-CB 3.43Å; L98-Q154 VanDerWaalsContact CD2-CB 3.43Å; L98-Q154 HydrophobicContact CD2-CG 3.93Å; F150-Q154 HydrophobicContact CD1-CG 4.04Å; F150-Q154 HydrophobicContact CD2-CG 4.49Å; F150-Q154 HydrophobicContact CE1-CG 3.55Å; F150-Q154 HydrophobicContact CE2-CG 4.09Å; F150-Q154 HydrophobicContact CG-CG 4.48Å; F150-Q154 HydrophobicContact CZ-CG 3.6Å; F150-Q154 WeakPolarHBondContact O-CG 3.5Å; F150-Q154 PolarHBondContact O-N 2.74Å; L151-Q154 PolarHBondContact O-N 2.75Å; Q154-P157 VanDerWaalsContact O-CD 3.24Å; Q154-P157 WeakPolarHBondContact O-CD 3.34Å; Q154-A160 VanDerWaalsContact O-CB 3.23Å; Q154-A160 WeakPolarHBondContact O-CB 3.29Å
155L92.8Very high94.6Very high19 Ų1944 Ų4410%0.09925%0.251CS..Hα-helixtrans-89.3-7.1179.3-67.8169.4000113.9K81 V85 L151 S152 E153 P157 M162K81-L155 HydrophobicContact CD-CD2 4.12Å; K81-L155 HydrophobicContact CG-CD2 4.29Å; V85-L155 HydrophobicContact CG1-CD1 4.09Å; L151-L155 WeakPolarHBondContact O-CB 3.49Å; L151-L155 VanDerWaalsContact O-CG 3.26Å; L151-L155 WeakPolarHBondContact O-CG 3.1Å; L151-L155 PolarHBondContact O-N 3Å; S152-L155 PolarHBondContact O-N 3.19Å; E153-L155 VanDerWaalsContact C-N 3.26Å; E153-L155 PolarHBondContact O-N 3.03Å; L155-P157 VanDerWaalsContact C-N 3.33Å; L155-M162 HydrophobicContact CD1-CB 4.42Å; L155-M162 HydrophobicContact CD1-CE 3.85Å; L155-M162 HydrophobicContact CD1-SD 4.13Å; L155-M162 HydrophobicContact CD2-CB 3.69Å
156S90.2Very high94.6Very high91 Ų9141.2 Ų41.264%0.63623%0.228SC*.  trans-57-34177.369.20000114.7S152 E153S152-S156 PolarHBondContact O-N 2.95Å; S152-S156 VanDerWaalsContact O-N 3.16Å; E153-S156 WeakPolarHBondContact O-CB 3.45Å; E153-S156 PolarHBondContact O-N 3.11Å; E153-S156 PolarHBondContact O-OG 3.14Å
157P86.8Confident94.6Very high46 Ų4645.2 Ų45.230%0.29924%0.238SC..SBendtrans-71.7134.9173.8-16.233.1000111.1K81 P101 Q154 L155 V159 A160K81-P157 PolarHBondContact NZ-O 2.88Å; K81-P157 VanDerWaalsContact NZ-O 3.11Å; P101-P157 HydrophobicContact CG-CB 4.45Å; Q154-P157 VanDerWaalsContact O-CD 3.24Å; Q154-P157 WeakPolarHBondContact O-CD 3.34Å; L155-P157 VanDerWaalsContact C-N 3.33Å; P157-V159 HydrophobicContact CB-CG2 4.2Å; P157-V159 PolarHBondContact O-N 3.42Å; P157-A160 HydrophobicContact CB-CB 4.27Å; P157-A160 HydrophobicContact CG-CB 4.4Å; P157-A160 WeakPolarHBondContact O-CB 3.48Å; P157-A160 PolarHBondContact O-N 2.77Å
158D81.8Confident94.5Very high148 Ų14851 Ų5179%0.79126%0.26SS*.THydrogen-bonded Turntrans-55.7-31.3178.6-68.3-31.5000113.4K81K81-D158 PolarHBondContact NZ-O 3.47Å
159V86.9Confident94.5Very high70 Ų7052 Ų5242%0.42427%0.268SS..THydrogen-bonded Turntrans-78.6-23.1-179.8-65.70000112.5P101 R116 P157P101-V159 HydrophobicContact CB-CG2 4.15Å; P101-V159 HydrophobicContact CG-CG2 3.74Å; R116-V159 VanDerWaalsContact NH1-C 3.31Å; R116-V159 PolarHBondContact NH1-O 2.9Å; R116-V159 PolarHBondContact NH2-O 3.04Å; P157-V159 HydrophobicContact CB-CG2 4.2Å; P157-V159 PolarHBondContact O-N 3.42Å
160A92.9Very high94.5Very high0 Ų048.8 Ų48.80%025%0.248CC..  trans-66.8142.8-175.200000111.9K81 N99 V100 Q154 P157K81-A160 WeakPolarHBondContact CD-O 3.34Å; K81-A160 PolarHBondContact NZ-O 3.29Å; N99-A160 WeakPolarHBondContact O-CA 3.37Å; V100-A160 HydrophobicContact CG1-CB 4.32Å; Q154-A160 VanDerWaalsContact O-CB 3.23Å; Q154-A160 WeakPolarHBondContact O-CB 3.29Å; P157-A160 HydrophobicContact CB-CB 4.27Å; P157-A160 HydrophobicContact CG-CB 4.4Å; P157-A160 WeakPolarHBondContact O-CB 3.48Å; P157-A160 PolarHBondContact O-N 2.77Å
161E95.8Very high94.4Very high49 Ų4951.4 Ų51.423%0.22926%0.261CS..EExtended strand (participates in β ladder)trans-131.1154.7178-58.7-66.5165.200109.9W78 L98 N99W78-E161 HydrophobicContact CH2-CG 4.49Å; W78-E161 HydrophobicContact CZ2-CB 3.72Å; W78-E161 HydrophobicContact CZ2-CG 3.6Å; W78-E161 WeakPolarHBondContact CZ2-OE2 3.41Å; W78-E161 PolarHBondContact NE1-OE2 2.82Å; L98-E161 CarbonylContact C-O 3.53Å; L98-E161 WeakPolarHBondContact CA-O 3.36Å; N99-E161 HydrophobicContact CB-CB 4.17Å; N99-E161 PolarHBondContact N-O 3.12Å; N99-E161 PolarHBondContact O-N 2.97Å; N99-E161 VanDerWaalsContact O-N 3.1Å
162M97.3Very high94.3Very high0 Ų058.3 Ų58.30%029%0.293CS..EExtended strand (participates in β ladder)trans-136.4135178.2178.9174.971.900111W79 F96 L98 L151 L155 L164W79-M162 HydrophobicContact CB-CB 4.07Å; W79-M162 HydrophobicContact CB-CE 3.49Å; W79-M162 VanDerWaalsContact CB-CE 3.49Å; W79-M162 HydrophobicContact CB-CG 4.37Å; W79-M162 WeakPolarHBondContact CB-O 3.49Å; W79-M162 HydrophobicContact CD2-CE 3.7Å; W79-M162 HydrophobicContact CE3-CE 4.37Å; W79-M162 HydrophobicContact CG-CE 3.25Å; W79-M162 PolarHBondContact N-O 3.13Å; F96-M162 HydrophobicContact CB-SD 4.45Å; F96-M162 HydrophobicContact CD1-CG 4.47Å; F96-M162 HydrophobicContact CD1-SD 3.76Å; F96-M162 HydrophobicContact CG-SD 4.47Å; L98-M162 HydrophobicContact CG-CB 4.39Å; L98-M162 HydrophobicContact CG-CG 4.24Å; L151-M162 HydrophobicContact CD1-SD 4.21Å; L151-M162 HydrophobicContact CD2-SD 3.8Å; L151-M162 HydrophobicContact CG-SD 4.46Å; L155-M162 HydrophobicContact CD1-CB 4.42Å; L155-M162 HydrophobicContact CD1-CE 3.85Å; L155-M162 HydrophobicContact CD1-SD 4.13Å; L155-M162 HydrophobicContact CD2-CB 3.69Å; M162-L164 HydrophobicContact CE-CD2 3.89Å; M162-L164 HydrophobicContact SD-CD2 4.46Å
163L98.3Very high94.3Very high3 Ų363.6 Ų63.62%0.01631%0.306CS..EExtended strand (participates in β ladder)trans-108.4133.6169.4-56.7173.3000109.1V62 I65 A76 V77 W78 F96 I97 W118V62-L163 HydrophobicContact CG2-CD1 3.73Å; V62-L163 HydrophobicContact CG2-CD2 4.42Å; I65-L163 HydrophobicContact CG2-CD1 4.11Å; A76-L163 HydrophobicContact CB-CB 4.42Å; A76-L163 HydrophobicContact CB-CD1 4.36Å; V77-L163 CarbonylContact O-C 3.39Å; V77-L163 WeakPolarHBondContact O-CA 3.25Å; W78-L163 HydrophobicContact CB-CD2 4.41Å; W78-L163 HydrophobicContact CD2-CD2 3.85Å; W78-L163 HydrophobicContact CE3-CD2 3.43Å; W78-L163 VanDerWaalsContact CE3-CD2 3.43Å; W78-L163 HydrophobicContact CG-CD2 4.31Å; W78-L163 HydrophobicContact CZ3-CD2 3.98Å; F96-L163 WeakPolarHBondContact CA-O 3.44Å; I97-L163 HydrophobicContact CB-CB 4.33Å; I97-L163 PolarHBondContact N-O 2.71Å; I97-L163 PolarHBondContact O-N 3.2Å; W118-L163 HydrophobicContact CZ3-CD1 4.17Å
164L98.4Very high94.3Very high0 Ų058.6 Ų58.60%029%0.286CS..EExtended strand (participates in β ladder)trans-87.3124.6166.9-46179000108.2A76 V77 W79 L88 V93 F96 M162 V166 W176A76-L164 WeakPolarHBondContact CA-O 3.43Å; V77-L164 HydrophobicContact CB-CB 4.22Å; V77-L164 HydrophobicContact CB-CD1 4.47Å; V77-L164 HydrophobicContact CG1-CD1 4.43Å; V77-L164 PolarHBondContact N-O 2.8Å; V77-L164 PolarHBondContact O-N 3.46Å; W79-L164 HydrophobicContact CE3-CD1 4.09Å; W79-L164 HydrophobicContact CE3-CD2 4.47Å; L88-L164 HydrophobicContact CD1-CD1 3.53Å; L88-L164 HydrophobicContact CD1-CD2 3.75Å; L88-L164 HydrophobicContact CD1-CG 4.3Å; V93-L164 HydrophobicContact CG1-CB 4.2Å; V93-L164 HydrophobicContact CG1-CD2 4.48Å; V93-L164 HydrophobicContact CG2-CB 4.46Å; V93-L164 HydrophobicContact CG2-CD1 4.37Å; F96-L164 HydrophobicContact CD1-CD2 3.67Å; F96-L164 HydrophobicContact CE1-CD2 3.66Å; M162-L164 HydrophobicContact CE-CD2 3.89Å; M162-L164 HydrophobicContact SD-CD2 4.46Å; L164-V166 HydrophobicContact CB-CG1 4.03Å; L164-W176 HydrophobicContact CD1-CB 4.07Å; L164-W176 HydrophobicContact CD1-CD2 3.92Å; L164-W176 HydrophobicContact CD1-CE3 3.53Å; L164-W176 HydrophobicContact CD1-CG 4.15Å; L164-W176 HydrophobicContact CD1-CZ3 4.26Å
165V98.4Very high94.4Very high0 Ų058.6 Ų58.60%029%0.29CS..EExtended strand (participates in β ladder)trans-89.3113.4170.3-176.30000107.6V24 L69 L74 A75 Q94 G95 I97V24-V165 HydrophobicContact CG1-CG2 4.22Å; V24-V165 HydrophobicContact CG2-CB 4.44Å; V24-V165 HydrophobicContact CG2-CG2 4.11Å; L69-V165 HydrophobicContact CD1-CG1 4.26Å; L69-V165 HydrophobicContact CD1-CG2 3.98Å; L69-V165 HydrophobicContact CD2-CG1 3.69Å; L69-V165 HydrophobicContact CD2-CG2 4.41Å; L74-V165 HydrophobicContact CD1-CG1 4.04Å; A75-V165 WeakPolarHBondContact O-CA 3.49Å; Q94-V165 WeakPolarHBondContact CA-O 3.46Å; Q94-V165 HydrophobicContact CB-CG1 4.48Å; Q94-V165 VanDerWaalsContact CB-O 3.3Å; Q94-V165 WeakPolarHBondContact CB-O 3.37Å; Q94-V165 PolarHBondContact N-O 2.82Å; G95-V165 PolarHBondContact N-O 2.67Å; G95-V165 WeakPolarHBondContact O-CB 3.38Å; G95-V165 PolarHBondContact O-N 2.86Å; I97-V165 HydrophobicContact CD1-CG2 3.85Å; I97-V165 HydrophobicContact CG1-CG2 3.92Å
166V98.4Very high94.5Very high0 Ų059.6 Ų59.60%029%0.293CS..EExtended strand (participates in β ladder)trans-134.1164.7-173.7-61.80000110.4L74 A75 V77 V93 L164 V170 E171 W176L74-V166 CarbonylContact C-O 3.56Å; L74-V166 WeakPolarHBondContact CA-O 3.17Å; L74-V166 WeakPolarHBondContact CB-O 3.49Å; A75-V166 HydrophobicContact CB-CG2 4.11Å; A75-V166 PolarHBondContact N-O 2.91Å; A75-V166 PolarHBondContact O-N 3.31Å; V77-V166 HydrophobicContact CG2-CG2 3.75Å; V93-V166 HydrophobicContact CB-CG1 4.49Å; V93-V166 HydrophobicContact CG1-CG1 4.46Å; V93-V166 HydrophobicContact CG2-CG1 4.14Å; L164-V166 HydrophobicContact CB-CG1 4.03Å; V166-V170 HydrophobicContact CB-CB 4.03Å; V166-V170 HydrophobicContact CB-CG1 3.78Å; V166-V170 HydrophobicContact CG1-CG1 3.92Å; V166-V170 HydrophobicContact CG2-CB 4.46Å; V166-V170 HydrophobicContact CG2-CG1 4.3Å; V166-E171 HydrophobicContact CG2-CB 3.97Å; V166-W176 HydrophobicContact CG1-CB 4.26Å
167R97.9Very high94.7Very high152 Ų15255.6 Ų55.657%0.57426%0.264SS*.EExtended strand (participates in β ladder)trans-69.3154.9166-67.2171.653.7125.92.8110.2L74 D169 V170 E171L74-R167 HydrophobicContact CD2-CG 4.26Å; R167-D169 VanDerWaalsContact C-N 3.33Å; R167-D169 WeakPolarHBondContact CB-OD1 3.36Å; R167-D169 IonicContact CZ-OD2 3.77Å; R167-D169 IonicContact NE-OD1 2.7Å; R167-D169 PolarHBondContact NE-OD1 3.3Å; R167-D169 IonicContact NE-OD2 2.85Å; R167-D169 IonicContact NH2-OD2 3.85Å; R167-D169 PolarHBondContact O-N 3.39Å; R167-V170 HydrophobicContact CB-CG2 4.28Å; R167-V170 WeakPolarHBondContact O-CB 3.5Å; R167-V170 PolarHBondContact O-N 3.49Å; R167-V170 VanDerWaalsContact O-N 3.11Å; R167-E171 PolarHBondContact O-N 2.87Å; R167-E171 VanDerWaalsContact O-N 3.13Å
168R96Very high94.9Very high122 Ų12256 Ų5646%0.4626%0.264SS..Hα-helixtrans-59.2-39.6-179.1-72.3-178.9-173.8173.55.2113.7Q70 V170 E171 E172Q70-R168 PolarHBondContact O-NH2 2.97Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.07Å; R168-E171 PolarHBondContact O-N 3.43Å; R168-E172 WeakPolarHBondContact O-CB 3.1Å; R168-E172 PolarHBondContact O-N 3.37Å
169D96.5Very high94.4Very high60 Ų6052.8 Ų52.832%0.32125%0.253SS..Hα-helixtrans-62.4-39.6175.555.4-13.9000111.8R167 E172 Y173R167-D169 VanDerWaalsContact C-N 3.33Å; R167-D169 WeakPolarHBondContact CB-OD1 3.36Å; R167-D169 IonicContact CZ-OD2 3.77Å; R167-D169 IonicContact NE-OD1 2.7Å; R167-D169 PolarHBondContact NE-OD1 3.3Å; R167-D169 IonicContact NE-OD2 2.85Å; R167-D169 IonicContact NH2-OD2 3.85Å; R167-D169 PolarHBondContact O-N 3.39Å; D169-E172 PolarHBondContact O-N 3.47Å; D169-Y173 HydrophobicContact CB-CD2 4.23Å; D169-Y173 HydrophobicContact CB-CE2 4.18Å; D169-Y173 WeakPolarHBondContact O-CB 3.42Å; D169-Y173 WeakPolarHBondContact O-CD2 3.41Å; D169-Y173 PolarHBondContact O-N 3.29Å
170V97.3Very high93.3Very high12 Ų1255.1 Ų55.17%0.07326%0.263CS..Hα-helixtrans-63.1-42.1175.9171.80000111.5K92 V166 R167 R168 G174 T175 W176K92-V170 HydrophobicContact CB-CG1 3.9Å; K92-V170 HydrophobicContact CB-CG2 4.37Å; V166-V170 HydrophobicContact CB-CB 4.03Å; V166-V170 HydrophobicContact CB-CG1 3.78Å; V166-V170 HydrophobicContact CG1-CG1 3.92Å; V166-V170 HydrophobicContact CG2-CB 4.46Å; V166-V170 HydrophobicContact CG2-CG1 4.3Å; R167-V170 HydrophobicContact CB-CG2 4.28Å; R167-V170 WeakPolarHBondContact O-CB 3.5Å; R167-V170 PolarHBondContact O-N 3.49Å; R167-V170 VanDerWaalsContact O-N 3.11Å; R168-V170 VanDerWaalsContact C-N 3.32Å; R168-V170 PolarHBondContact O-N 3.07Å; V170-G174 PolarHBondContact O-N 3.47Å; V170-G174 VanDerWaalsContact O-N 3.1Å; V170-T175 PolarHBondContact O-N 2.83Å; V170-T175 VanDerWaalsContact O-N 3.14Å; V170-W176 HydrophobicContact CG1-CB 3.85Å; V170-W176 HydrophobicContact CG1-CG 4.44Å
171E95.9Very high91.8Very high82 Ų8257 Ų5738%0.38327%0.273SS..Hα-helixtrans-61.9-53.7172.7172.4179.6-123.700111.4A75 V77 V166 R167 R168 Y173 G174A75-E171 HydrophobicContact CB-CB 3.85Å; A75-E171 HydrophobicContact CB-CG 4.21Å; A75-E171 WeakPolarHBondContact CB-OE2 3.35Å; V77-E171 HydrophobicContact CG2-CB 3.89Å; V77-E171 HydrophobicContact CG2-CG 3.81Å; V166-E171 HydrophobicContact CG2-CB 3.97Å; R167-E171 PolarHBondContact O-N 2.87Å; R167-E171 VanDerWaalsContact O-N 3.13Å; R168-E171 PolarHBondContact O-N 3.43Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 PolarHBondContact O-N 2.78Å; E171-G174 PolarHBondContact O-N 3.2Å; E171-G174 VanDerWaalsContact O-N 3.08Å
172E94.8Very high90Very high146 Ų14659.2 Ų59.268%0.68229%0.286SS*.Hα-helixtrans-57.5-44.2-175.8-176.3179.2171.200112.3R168 D169R168-E172 WeakPolarHBondContact O-CB 3.1Å; R168-E172 PolarHBondContact O-N 3.37Å; D169-E172 PolarHBondContact O-N 3.47Å
173Y95.2Very high87.8Confident163 Ų16369.6 Ų69.664%0.63933%0.325SS*.THydrogen-bonded Turntrans-87.6-3.2179.6-61.8-56.8000114D169 E171 T175D169-Y173 HydrophobicContact CB-CD2 4.23Å; D169-Y173 HydrophobicContact CB-CE2 4.18Å; D169-Y173 WeakPolarHBondContact O-CB 3.42Å; D169-Y173 WeakPolarHBondContact O-CD2 3.41Å; D169-Y173 PolarHBondContact O-N 3.29Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 PolarHBondContact O-N 2.78Å; Y173-T175 PolarHBondContact O-N 2.86Å
174G95.2Very high85.3Confident13 Ų1379.3 Ų79.313%0.13437%0.367CS..THydrogen-bonded Turntrans65.717179.900000114.9V170 E171 W176 L177V170-G174 PolarHBondContact O-N 3.47Å; V170-G174 VanDerWaalsContact O-N 3.1Å; E171-G174 PolarHBondContact O-N 3.2Å; E171-G174 VanDerWaalsContact O-N 3.08Å; G174-W176 PolarHBondContact O-N 3.25Å; G174-W176 VanDerWaalsContact O-N 3.16Å; G174-L177 PolarHBondContact O-N 2.74Å
175T95.9Very high84.7Confident55 Ų5583.3 Ų83.334%0.33739%0.386SS..THydrogen-bonded Turntrans-73.3-4.4-172.459.20000114.6C89 V170 Y173 L177C89-T175 WeakPolarHBondContact CB-O 3.5Å; V170-T175 PolarHBondContact O-N 2.83Å; V170-T175 VanDerWaalsContact O-N 3.14Å; Y173-T175 PolarHBondContact O-N 2.86Å; T175-L177 PolarHBondContact O-N 2.99Å
176W95.2Very high84Confident39 Ų3987.7 Ų87.715%0.14841%0.406CS..THydrogen-bonded Turntrans-68.9-13.2168.853.2-95.7000112.7V77 W79 C89 V93 L164 V166 V170 G174V77-W176 HydrophobicContact CG1-CD2 4.02Å; V77-W176 HydrophobicContact CG1-CE3 4.44Å; V77-W176 HydrophobicContact CG1-CH2 3.99Å; V77-W176 HydrophobicContact CG1-CZ2 3.53Å; V77-W176 HydrophobicContact CG1-CZ3 4.42Å; W79-W176 HydrophobicContact CE3-CE3 4.5Å; W79-W176 HydrophobicContact CE3-CZ3 4.11Å; W79-W176 HydrophobicContact CZ3-CE3 4.25Å; W79-W176 AromaticContact CZ3-CZ3 3.96Å; W79-W176 HydrophobicContact CZ3-CZ3 3.96Å; C89-W176 PolarHBondContact N-O 3.36Å; V93-W176 HydrophobicContact CG2-CB 4.43Å; L164-W176 HydrophobicContact CD1-CB 4.07Å; L164-W176 HydrophobicContact CD1-CD2 3.92Å; L164-W176 HydrophobicContact CD1-CE3 3.53Å; L164-W176 HydrophobicContact CD1-CG 4.15Å; L164-W176 HydrophobicContact CD1-CZ3 4.26Å; V166-W176 HydrophobicContact CG1-CB 4.26Å; V170-W176 HydrophobicContact CG1-CB 3.85Å; V170-W176 HydrophobicContact CG1-CG 4.44Å; G174-W176 PolarHBondContact O-N 3.25Å; G174-W176 VanDerWaalsContact O-N 3.16Å
177L94.9Very high83.2Confident7 Ų792.6 Ų92.64%0.03743%0.429CS..BIsolated β-bridgetrans-106.8140172.5-164.274.5000110.3W79 S87 G174 T175 D181 L182W79-L177 HydrophobicContact CH2-CD1 4.22Å; W79-L177 HydrophobicContact CZ3-CD1 4.16Å; S87-L177 WeakPolarHBondContact O-CD1 3.36Å; S87-L177 WeakPolarHBondContact OG-CD1 2.93Å; G174-L177 PolarHBondContact O-N 2.74Å; T175-L177 PolarHBondContact O-N 2.99Å; L177-D181 HydrophobicContact CD1-CB 4.45Å; L177-D181 HydrophobicContact CD2-CB 3.99Å; L177-D181 HydrophobicContact CG-CB 4.12Å; L177-L182 HydrophobicContact CB-CD2 4.19Å; L177-L182 HydrophobicContact CB-CG 4.37Å; L177-L182 HydrophobicContact CD2-CD2 3.8Å; L177-L182 HydrophobicContact CD2-CG 4.03Å
178N89.6Confident82.3Confident56 Ų5689.1 Ų89.130%0.29942%0.42SS..  trans-62.7140.3174.1-69.2-28.2000110.5Q86 S87 C89 D180 D181Q86-N178 PolarHBondContact O-ND2 2.73Å; S87-N178 WeakPolarHBondContact O-CB 3.26Å; S87-N178 PolarHBondContact O-N 3.07Å; S87-N178 PolarHBondContact O-ND2 2.72Å; C89-N178 WeakPolarHBondContact CB-OD1 3.48Å; N178-D180 PolarHBondContact O-N 2.85Å; N178-D181 PolarHBondContact O-N 2.81Å
179S71.7Confident81.4Confident79 Ų7987 Ų8755%0.55242%0.418SS*.THydrogen-bonded Turntrans-57.6-26.3-171.4480000115.1D181S179-D181 VanDerWaalsContact C-N 3.28Å; S179-D181 PolarHBondContact O-N 3.14Å
180D64.3Low80.4Confident120 Ų12088.8 Ų88.864%0.64242%0.424SS*.THydrogen-bonded Turntrans-73.9-21.2-180-64.7-21.4000112.8N178N178-D180 PolarHBondContact O-N 2.85Å
181D61.8Low79.2Confident39 Ų3994.3 Ų94.321%0.20945%0.449CS..THydrogen-bonded Turntrans-101.8-4.9-179-71.3-46.7000113.7R83 S87 L177 N178 S179 R183R83-D181 PolarHBondContact NH1-O 3.27Å; S87-D181 WeakPolarHBondContact CB-OD2 3.43Å; L177-D181 HydrophobicContact CD1-CB 4.45Å; L177-D181 HydrophobicContact CD2-CB 3.99Å; L177-D181 HydrophobicContact CG-CB 4.12Å; N178-D181 PolarHBondContact O-N 2.81Å; S179-D181 VanDerWaalsContact C-N 3.28Å; S179-D181 PolarHBondContact O-N 3.14Å; D181-R183 VanDerWaalsContact C-N 3.27Å
182L57.9Low77.9Confident95 Ų9595.2 Ų95.250%0.49745%0.454SS..THydrogen-bonded Turntrans-75.1-16.2169.8-74.4170.8000112.7L177L177-L182 HydrophobicContact CB-CD2 4.19Å; L177-L182 HydrophobicContact CB-CG 4.37Å; L177-L182 HydrophobicContact CD2-CD2 3.8Å; L177-L182 HydrophobicContact CD2-CG 4.03Å
183R50.6Low76.5Confident219 Ų21991 Ų9183%0.82644%0.435SS*.THydrogen-bonded Turntrans-102.32-174.6-61.9-177.2-173.7166.73.6114.5D181D181-R183 VanDerWaalsContact C-N 3.27Å
184K46.3Very low74.8Confident207 Ų20784.5 Ų84.590%0.942%0.417SS*.  trans-112.30176.9-70.9178.6-176.1164.10110.3

Retrieved 184 of 184 residues in 125.2 ms (Link to these results)

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