A0A087WQG9_MOUSE Loading...

Myeloid nuclear differentiation antigen like

AlphaFold DB , UniProt , Accession A0A087WQG9, Species MOUSE (Mus musculus, Mouse), Gene Mndal, 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
1M69Low92.2Very high116 Ų11661.6 Ų61.657%0.57131%0.308SS*.  0-50.30-60.7-59.5-142.900111.4E3 Y4 K5 P56M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.32Å; M1-Y4 PolarHBondContact O-N 3.19Å; M1-K5 PolarHBondContact O-N 3.43Å; M1-P56 HydrophobicContact CE-CB 3.89Å; M1-P56 WeakPolarHBondContact CE-O 3.18Å
2A85.1Confident92.5Very high59 Ų5956.5 Ų56.549%0.48828%0.283SS..Hα-helixtrans-46.3-38.5-177.400000116.4Y4 K5 K6A2-Y4 VanDerWaalsContact C-N 3.32Å; A2-Y4 PolarHBondContact O-N 3.38Å; A2-K5 PolarHBondContact O-N 3.26Å; A2-K6 WeakPolarHBondContact O-CG 3.5Å; A2-K6 PolarHBondContact O-N 3.29Å
3E92.8Very high92.8Very high94 Ų9452.2 Ų52.244%0.43926%0.261SS..Hα-helixtrans-61.2-38.1176.4-67.8174.4162.800113.3M1 I7 V88 K92M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.32Å; E3-I7 WeakPolarHBondContact O-CG1 3.48Å; E3-I7 PolarHBondContact O-N 3.04Å; E3-V88 HydrophobicContact CB-CG1 4.25Å; E3-V88 VanDerWaalsContact OE2-CG1 3.24Å; E3-V88 WeakPolarHBondContact OE2-CG1 2.96Å; E3-K92 WeakPolarHBondContact OE2-CE 3.28Å; E3-K92 IonicContact OE2-NZ 3.09Å; E3-K92 PolarHBondContact OE2-NZ 3.34Å; E3-K92 VanDerWaalsContact OE2-NZ 3.09Å
4Y95.1Very high93Very high11 Ų1155.9 Ų55.94%0.04328%0.277CS..Hα-helixtrans-74.3-38.1178.2-65.4-67000111.2M1 A2 K6 I7 V8 Y58 L61 K85 V88 Q89M1-Y4 PolarHBondContact O-N 3.19Å; A2-Y4 VanDerWaalsContact C-N 3.32Å; A2-Y4 PolarHBondContact O-N 3.38Å; Y4-K6 VanDerWaalsContact C-N 3.31Å; Y4-K6 PolarHBondContact O-N 3.5Å; Y4-I7 HydrophobicContact CD1-CD1 4.45Å; Y4-I7 WeakPolarHBondContact O-CA 3.34Å; Y4-I7 WeakPolarHBondContact O-CB 2.9Å; Y4-I7 PolarHBondContact O-N 3.42Å; Y4-V8 WeakPolarHBondContact O-CG2 3.37Å; Y4-V8 PolarHBondContact O-N 3.05Å; Y4-Y58 WeakPolarHBondContact CB-O 2.77Å; Y4-Y58 HydrophobicContact CD1-CD1 4.46Å; Y4-Y58 HydrophobicContact CD2-CD1 4.08Å; Y4-Y58 HydrophobicContact CE1-CD1 4.04Å; Y4-Y58 AromaticContact CE2-CD1 3.61Å; Y4-Y58 HydrophobicContact CE2-CD1 3.61Å; Y4-Y58 HydrophobicContact CE2-CE1 4.26Å; Y4-Y58 HydrophobicContact CG-CD1 4.49Å; Y4-Y58 AromaticContact CZ-CD1 3.59Å; Y4-L61 HydrophobicContact CD1-CD2 3.92Å; Y4-K85 HydrophobicContact CE1-CG 4.22Å; Y4-V88 HydrophobicContact CD1-CG1 4.24Å; Y4-V88 HydrophobicContact CE1-CB 3.81Å; Y4-V88 HydrophobicContact CE1-CG1 3.55Å; Y4-V88 HydrophobicContact CE2-CG1 4.11Å; Y4-V88 VanDerWaalsContact CZ-CG1 3.46Å; Y4-Q89 WeakPolarHBondContact OH-CG 3.42Å
5K95Very high92.9Very high51 Ų5156.2 Ų56.222%0.22229%0.287CS..Hα-helixtrans-57-44.5172-170.4-164-162.3148.80111.8M1 A2 I7 V8 L9 D49 E52 A59M1-K5 PolarHBondContact O-N 3.43Å; A2-K5 PolarHBondContact O-N 3.26Å; K5-I7 VanDerWaalsContact C-N 3.26Å; K5-I7 PolarHBondContact O-N 2.9Å; K5-V8 WeakPolarHBondContact O-CB 3.36Å; K5-V8 PolarHBondContact O-N 3.41Å; K5-V8 VanDerWaalsContact O-N 3.14Å; K5-L9 PolarHBondContact O-N 3.23Å; K5-D49 WeakPolarHBondContact CE-OD1 3.29Å; K5-D49 IonicContact NZ-OD1 2.8Å; K5-D49 PolarHBondContact NZ-OD1 3.23Å; K5-E52 WeakPolarHBondContact CD-OE2 3.42Å; K5-E52 VanDerWaalsContact CE-OE2 3.23Å; K5-E52 WeakPolarHBondContact CE-OE2 3.45Å; K5-E52 IonicContact NZ-OE2 3.45Å; K5-E52 PolarHBondContact NZ-OE2 3.34Å; K5-A59 HydrophobicContact CB-CB 4.14Å
6K96.1Very high92.9Very high139 Ų13953.1 Ų53.160%0.60427%0.271SS*.Hα-helixtrans-58.3-38.1174.5-72.4178.2-178.3-172.60112.4A2 Y4 L10A2-K6 WeakPolarHBondContact O-CG 3.5Å; A2-K6 PolarHBondContact O-N 3.29Å; Y4-K6 VanDerWaalsContact C-N 3.31Å; Y4-K6 PolarHBondContact O-N 3.5Å; K6-L10 VanDerWaalsContact O-CB 3.31Å; K6-L10 WeakPolarHBondContact O-CB 3.38Å; K6-L10 WeakPolarHBondContact O-CG 3.24Å; K6-L10 PolarHBondContact O-N 3.14Å
7I96.6Very high92.9Very high8 Ų858.4 Ų58.44%0.04129%0.294CS..Hα-helixtrans-67.5-45.8175.2-67.6167.4000110.7E3 Y4 K5 L9 K11 G12 L61 L81 E84 V88E3-I7 WeakPolarHBondContact O-CG1 3.48Å; E3-I7 PolarHBondContact O-N 3.04Å; Y4-I7 HydrophobicContact CD1-CD1 4.45Å; Y4-I7 WeakPolarHBondContact O-CA 3.34Å; Y4-I7 WeakPolarHBondContact O-CB 2.9Å; Y4-I7 PolarHBondContact O-N 3.42Å; K5-I7 VanDerWaalsContact C-N 3.26Å; K5-I7 PolarHBondContact O-N 2.9Å; I7-L9 PolarHBondContact O-N 3.09Å; I7-K11 HydrophobicContact CG2-CB 4.39Å; I7-K11 CarbonylContact O-C 3.59Å; I7-K11 WeakPolarHBondContact O-CA 3.42Å; I7-K11 WeakPolarHBondContact O-CB 3.41Å; I7-K11 PolarHBondContact O-N 2.88Å; I7-K11 VanDerWaalsContact O-N 3.1Å; I7-G12 PolarHBondContact O-N 3.4Å; I7-G12 VanDerWaalsContact O-N 3.15Å; I7-L61 HydrophobicContact CB-CD2 4.49Å; I7-L61 HydrophobicContact CG2-CD1 3.9Å; I7-L61 HydrophobicContact CG2-CD2 4Å; I7-L81 HydrophobicContact CG2-CD2 3.68Å; I7-E84 HydrophobicContact CD1-CB 4.1Å; I7-E84 HydrophobicContact CG1-CB 4.45Å; I7-E84 HydrophobicContact CG2-CB 4.16Å; I7-V88 HydrophobicContact CD1-CB 4.5Å; I7-V88 HydrophobicContact CD1-CG2 3.48Å; I7-V88 VanDerWaalsContact CD1-CG2 3.48Å
8V96.9Very high93Very high0 Ų060 Ų600%030%0.304CS..Hα-helixtrans-56.7-49.4177.8166.90000110.8Y4 K5 G12 L13 A48 M51 L61 L64Y4-V8 WeakPolarHBondContact O-CG2 3.37Å; Y4-V8 PolarHBondContact O-N 3.05Å; K5-V8 WeakPolarHBondContact O-CB 3.36Å; K5-V8 PolarHBondContact O-N 3.41Å; K5-V8 VanDerWaalsContact O-N 3.14Å; V8-G12 CarbonylContact O-C 3.42Å; V8-G12 VanDerWaalsContact O-CA 3.27Å; V8-G12 WeakPolarHBondContact O-CA 3.42Å; V8-G12 PolarHBondContact O-N 3.03Å; V8-L13 HydrophobicContact CG1-CD1 4.18Å; V8-L13 HydrophobicContact CG1-CG 4.38Å; V8-L13 PolarHBondContact O-N 3.33Å; V8-A48 HydrophobicContact CG1-CB 4.19Å; V8-M51 HydrophobicContact CG1-SD 4.3Å; V8-L61 HydrophobicContact CG2-CB 3.76Å; V8-L61 HydrophobicContact CG2-CD1 3.85Å; V8-L61 HydrophobicContact CG2-CG 4.38Å; V8-L64 HydrophobicContact CB-CD2 4.47Å; V8-L64 HydrophobicContact CG1-CD2 4.12Å; V8-L64 HydrophobicContact CG2-CD2 4.47Å
9L96.9Very high93Very high37 Ų3765.1 Ų65.119%0.19432%0.32CS..Iπ-helixtrans-71.8-66.8-178.7-177.758000111.5K5 I7 L13 E14 R44 I45 A48K5-L9 PolarHBondContact O-N 3.23Å; I7-L9 PolarHBondContact O-N 3.09Å; L9-L13 PolarHBondContact O-N 3.39Å; L9-E14 VanDerWaalsContact O-CB 3.29Å; L9-E14 WeakPolarHBondContact O-CB 3.45Å; L9-E14 PolarHBondContact O-N 3.16Å; L9-R44 HydrophobicContact CD1-CB 4.23Å; L9-R44 WeakPolarHBondContact CD1-O 3.24Å; L9-I45 HydrophobicContact CD1-CG1 4.27Å; L9-I45 HydrophobicContact CD2-CG1 4.38Å; L9-A48 HydrophobicContact CB-CB 4.08Å; L9-A48 HydrophobicContact CD1-CB 4.2Å
10L96.2Very high93.1Very high90 Ų9062.7 Ų62.747%0.47131%0.308SS..Iπ-helixtrans-73.9-39.9-166.2-55.9176.9000112.9K6 E14 S15K6-L10 VanDerWaalsContact O-CB 3.31Å; K6-L10 WeakPolarHBondContact O-CB 3.38Å; K6-L10 WeakPolarHBondContact O-CG 3.24Å; K6-L10 PolarHBondContact O-N 3.14Å; L10-E14 WeakPolarHBondContact CA-OE2 3.37Å; L10-E14 WeakPolarHBondContact CD2-OE2 3.25Å; L10-S15 PolarHBondContact O-OG 3.07Å; L10-S15 VanDerWaalsContact O-OG 3.11Å
11K95Very high93.2Very high73 Ų7360.2 Ų60.232%0.31730%0.296SS..Iπ-helixtrans-97.2-6.5-176.1-57.5-169.9-176.8-174.80113I7 S15 L77 L81 E84I7-K11 HydrophobicContact CG2-CB 4.39Å; I7-K11 CarbonylContact O-C 3.59Å; I7-K11 WeakPolarHBondContact O-CA 3.42Å; I7-K11 WeakPolarHBondContact O-CB 3.41Å; I7-K11 PolarHBondContact O-N 2.88Å; I7-K11 VanDerWaalsContact O-N 3.1Å; K11-S15 PolarHBondContact O-OG 3.26Å; K11-L77 WeakPolarHBondContact O-CD1 3.41Å; K11-L81 HydrophobicContact CB-CD2 4.16Å; K11-L81 WeakPolarHBondContact O-CD2 3.23Å; K11-E84 HydrophobicContact CD-CG 3.74Å; K11-E84 IonicContact NZ-OE1 2.6Å; K11-E84 PolarHBondContact NZ-OE1 2.95Å; K11-E84 IonicContact NZ-OE2 2.8Å; K11-E84 PolarHBondContact NZ-OE2 2.85Å
12G95.8Very high94.3Very high0 Ų062.3 Ų62.30%030%0.297CS..Iπ-helixtrans-116.9-85.2-177.700000111I7 V8 E14 S15 M16I7-G12 PolarHBondContact O-N 3.4Å; I7-G12 VanDerWaalsContact O-N 3.15Å; V8-G12 CarbonylContact O-C 3.42Å; V8-G12 VanDerWaalsContact O-CA 3.27Å; V8-G12 WeakPolarHBondContact O-CA 3.42Å; V8-G12 PolarHBondContact O-N 3.03Å; G12-E14 PolarHBondContact O-N 3.07Å; G12-S15 PolarHBondContact O-N 2.98Å; G12-M16 WeakPolarHBondContact O-CE 3.31Å; G12-M16 PolarHBondContact O-N 3.41Å
13L96.1Very high94.7Very high0 Ų061.2 Ų61.20%029%0.285CS..Iπ-helixtrans-64.7-33.9-172.1-60.2-178.8000113.8V8 L9 M16 F21 V24 R44 L47 A48 L64V8-L13 HydrophobicContact CG1-CD1 4.18Å; V8-L13 HydrophobicContact CG1-CG 4.38Å; V8-L13 PolarHBondContact O-N 3.33Å; L9-L13 PolarHBondContact O-N 3.39Å; L13-M16 HydrophobicContact CD2-CE 3.93Å; L13-M16 HydrophobicContact CD2-SD 4.17Å; L13-M16 WeakPolarHBondContact O-CG 3.17Å; L13-F21 HydrophobicContact CB-CE2 4.4Å; L13-F21 HydrophobicContact CD1-CE2 4.46Å; L13-F21 HydrophobicContact CD2-CD2 4.21Å; L13-F21 HydrophobicContact CD2-CE2 4.08Å; L13-V24 HydrophobicContact CD2-CG1 4.47Å; L13-R44 HydrophobicContact CB-CB 4.28Å; L13-R44 WeakPolarHBondContact CD1-O 3.46Å; L13-R44 WeakPolarHBondContact O-CD 3.35Å; L13-L47 HydrophobicContact CD1-CB 4.18Å; L13-L47 HydrophobicContact CD1-CD2 4.05Å; L13-L47 HydrophobicContact CD1-CG 4.25Å; L13-L47 HydrophobicContact CD2-CD2 4.08Å; L13-A48 HydrophobicContact CD1-CB 4.03Å; L13-L64 HydrophobicContact CD2-CD1 3.87Å; L13-L64 HydrophobicContact CD2-CD2 4.35Å
14E95.2Very high94.8Very high105 Ų10556.8 Ų56.849%0.49126%0.264SS..THydrogen-bonded Turntrans-76.6-31.2176.2-173.5174.2-155.700112.4L9 L10 G12 M16 R44L9-E14 VanDerWaalsContact O-CB 3.29Å; L9-E14 WeakPolarHBondContact O-CB 3.45Å; L9-E14 PolarHBondContact O-N 3.16Å; L10-E14 WeakPolarHBondContact CA-OE2 3.37Å; L10-E14 WeakPolarHBondContact CD2-OE2 3.25Å; G12-E14 PolarHBondContact O-N 3.07Å; E14-M16 PolarHBondContact O-N 3.44Å; E14-R44 PolarHBondContact O-NH1 3.11Å; E14-R44 VanDerWaalsContact O-NH1 3.14Å
15S91.9Very high94.6Very high60 Ų6056.8 Ų56.842%0.4226%0.264SS..THydrogen-bonded Turntrans-77.5-4.6-178.8-64.10000113.9L10 K11 G12L10-S15 PolarHBondContact O-OG 3.07Å; L10-S15 VanDerWaalsContact O-OG 3.11Å; K11-S15 PolarHBondContact O-OG 3.26Å; G12-S15 PolarHBondContact O-N 2.98Å
16M92.6Very high94.4Very high7 Ų757.3 Ų57.33%0.03427%0.274CS..SBendtrans-104.5150.1178.660179.668.500111.4G12 L13 E14 Q20 F21 V24 R44 L64 L74 L77G12-M16 WeakPolarHBondContact O-CE 3.31Å; G12-M16 PolarHBondContact O-N 3.41Å; L13-M16 HydrophobicContact CD2-CE 3.93Å; L13-M16 HydrophobicContact CD2-SD 4.17Å; L13-M16 WeakPolarHBondContact O-CG 3.17Å; E14-M16 PolarHBondContact O-N 3.44Å; M16-Q20 HydrophobicContact CB-CB 4.17Å; M16-F21 HydrophobicContact CG-CB 4.09Å; M16-F21 VanDerWaalsContact SD-CA 3.58Å; M16-F21 HydrophobicContact SD-CB 3.91Å; M16-F21 HydrophobicContact SD-CD2 3.87Å; M16-F21 HydrophobicContact SD-CG 4.41Å; M16-V24 HydrophobicContact CE-CG2 4.12Å; M16-V24 HydrophobicContact SD-CB 4.31Å; M16-V24 HydrophobicContact SD-CG2 3.99Å; M16-R44 PolarHBondContact O-NH2 2.75Å; M16-L64 HydrophobicContact CE-CD1 4.26Å; M16-L74 HydrophobicContact CB-CD2 4Å; M16-L74 HydrophobicContact CE-CD1 4.25Å; M16-L77 HydrophobicContact CB-CD2 4.4Å; M16-L77 HydrophobicContact CE-CD2 4.02Å
17E93.8Very high94.2Very high142 Ų14254.8 Ų54.866%0.66427%0.267SS*.  trans-73.6159.2174.9-171.4173.7-135.900111.6Y19 Q20 F21E17-Y19 VanDerWaalsContact C-N 3.3Å; E17-Y19 PolarHBondContact O-N 3.14Å; E17-Q20 HydrophobicContact CB-CG 4.35Å; E17-Q20 CarbonylContact O-C 3.59Å; E17-Q20 WeakPolarHBondContact O-CA 3.26Å; E17-Q20 WeakPolarHBondContact O-CB 3.23Å; E17-Q20 PolarHBondContact O-N 3.47Å; E17-F21 PolarHBondContact O-N 2.92Å
18D93.1Very high94Very high88 Ų8854.4 Ų54.447%0.47127%0.265SS..Hα-helixtrans-57.1-38.4-175.2-72.2-10000114F21 R22 R44D18-F21 PolarHBondContact O-N 3.11Å; D18-R22 WeakPolarHBondContact O-CB 3.16Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 2.82Å; D18-R22 PolarHBondContact O-N 3.44Å; D18-R44 IonicContact OD1-CZ 2.76Å; D18-R44 IonicContact OD1-NH2 2.79Å; D18-R44 PolarHBondContact OD1-NH2 2.95Å
19Y94.2Very high93.6Very high157 Ų15758.7 Ų58.762%0.61628%0.281SS*.Hα-helixtrans-63.3-44.8175.4176.2-103.2000111.6E17 F21 R22 T23E17-Y19 VanDerWaalsContact C-N 3.3Å; E17-Y19 PolarHBondContact O-N 3.14Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; Y19-R22 PolarHBondContact O-N 3.32Å; Y19-T23 PolarHBondContact O-N 3.08Å; Y19-T23 PolarHBondContact O-OG1 2.86Å
20Q94.6Very high93Very high16 Ų1666.1 Ų66.18%0.07531%0.312CS..Hα-helixtrans-65.7-41.3178.3-55.1-60.6-18.700110.5M16 E17 T23 V24 D73 L74M16-Q20 HydrophobicContact CB-CB 4.17Å; E17-Q20 HydrophobicContact CB-CG 4.35Å; E17-Q20 CarbonylContact O-C 3.59Å; E17-Q20 WeakPolarHBondContact O-CA 3.26Å; E17-Q20 WeakPolarHBondContact O-CB 3.23Å; E17-Q20 PolarHBondContact O-N 3.47Å; Q20-T23 WeakPolarHBondContact O-CB 3.45Å; Q20-T23 PolarHBondContact O-N 3.2Å; Q20-V24 WeakPolarHBondContact O-CG2 3.5Å; Q20-V24 PolarHBondContact O-N 3.45Å; Q20-D73 PolarHBondContact NE2-OD2 2.93Å; Q20-L74 HydrophobicContact CB-CD1 4.17Å; Q20-L74 HydrophobicContact CB-CD2 4.04Å; Q20-L74 HydrophobicContact CB-CG 4.31Å; Q20-L74 HydrophobicContact CG-CD2 4.2Å
21F94.6Very high92.6Very high12 Ų1265 Ų655%0.05330%0.304CS..Hα-helixtrans-61.3-45.4174.6-178.8-116.7000112.2L13 M16 E17 D18 Y19 T23 V24 K25 R44 L47L13-F21 HydrophobicContact CB-CE2 4.4Å; L13-F21 HydrophobicContact CD1-CE2 4.46Å; L13-F21 HydrophobicContact CD2-CD2 4.21Å; L13-F21 HydrophobicContact CD2-CE2 4.08Å; M16-F21 HydrophobicContact CG-CB 4.09Å; M16-F21 VanDerWaalsContact SD-CA 3.58Å; M16-F21 HydrophobicContact SD-CB 3.91Å; M16-F21 HydrophobicContact SD-CD2 3.87Å; M16-F21 HydrophobicContact SD-CG 4.41Å; E17-F21 PolarHBondContact O-N 2.92Å; D18-F21 PolarHBondContact O-N 3.11Å; Y19-F21 VanDerWaalsContact C-N 3.34Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 3.01Å; F21-V24 PolarHBondContact O-N 3.05Å; F21-K25 HydrophobicContact CD1-CD 4.33Å; F21-K25 HydrophobicContact CE1-CD 3.68Å; F21-K25 HydrophobicContact CE1-CG 4.18Å; F21-K25 HydrophobicContact CE2-CD 4.46Å; F21-K25 HydrophobicContact CE2-CG 4.19Å; F21-K25 HydrophobicContact CZ-CD 3.74Å; F21-K25 HydrophobicContact CZ-CG 3.96Å; F21-K25 WeakPolarHBondContact O-CB 3.44Å; F21-K25 WeakPolarHBondContact O-CG 3.47Å; F21-K25 PolarHBondContact O-N 3.23Å; F21-R44 HydrophobicContact CD1-CG 4.22Å; F21-R44 HydrophobicContact CD2-CG 4.13Å; F21-R44 HydrophobicContact CE1-CG 3.88Å; F21-R44 HydrophobicContact CE2-CB 4.29Å; F21-R44 HydrophobicContact CE2-CG 3.78Å; F21-R44 HydrophobicContact CG-CG 4.35Å; F21-R44 HydrophobicContact CZ-CB 4.19Å; F21-R44 HydrophobicContact CZ-CG 3.67Å; F21-L47 HydrophobicContact CD2-CD2 4.47Å; F21-L47 HydrophobicContact CE2-CB 4.49Å; F21-L47 HydrophobicContact CE2-CD2 3.52Å; F21-L47 HydrophobicContact CZ-CB 4.37Å; F21-L47 HydrophobicContact CZ-CD2 3.98Å
22R93.1Very high92.1Very high159 Ų15961.5 Ų61.560%0.629%0.289SS*.Hα-helixtrans-59.2-40.1173.6-74.3174.8-164.5-94.50.3111.7D18 Y19 K25 S26D18-R22 WeakPolarHBondContact O-CB 3.16Å; D18-R22 VanDerWaalsContact O-CG 3.28Å; D18-R22 WeakPolarHBondContact O-CG 2.82Å; D18-R22 PolarHBondContact O-N 3.44Å; Y19-R22 PolarHBondContact O-N 3.32Å; R22-K25 PolarHBondContact O-N 3.4Å; R22-S26 PolarHBondContact O-N 2.93Å
23T93.4Very high91.5Very high37 Ų3770 Ų7023%0.22733%0.326CS..Hα-helixtrans-65-47.5177-57.60000111.3Y19 Q20 F21 K25 S26 L27 I71Y19-T23 PolarHBondContact O-N 3.08Å; Y19-T23 PolarHBondContact O-OG1 2.86Å; Q20-T23 WeakPolarHBondContact O-CB 3.45Å; Q20-T23 PolarHBondContact O-N 3.2Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 3.01Å; T23-K25 PolarHBondContact O-N 3.17Å; T23-S26 WeakPolarHBondContact O-CB 3.46Å; T23-S26 PolarHBondContact O-N 2.58Å; T23-S26 VanDerWaalsContact O-N 3.15Å; T23-L27 HydrophobicContact CG2-CD1 4.14Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 3.34Å; T23-I71 HydrophobicContact CG2-CD1 3.87Å; T23-I71 HydrophobicContact CG2-CG1 4.27Å
24V93.7Very high90.7Very high0 Ų070.4 Ų70.40%033%0.328CS..Hα-helixtrans-58.8-45.8175.2169.30000111L13 M16 Q20 F21 S26 L27 L28 L64 V67 I71 L74L13-V24 HydrophobicContact CD2-CG1 4.47Å; M16-V24 HydrophobicContact CE-CG2 4.12Å; M16-V24 HydrophobicContact SD-CB 4.31Å; M16-V24 HydrophobicContact SD-CG2 3.99Å; Q20-V24 WeakPolarHBondContact O-CG2 3.5Å; Q20-V24 PolarHBondContact O-N 3.45Å; F21-V24 PolarHBondContact O-N 3.05Å; V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 2.75Å; V24-L27 PolarHBondContact O-N 2.9Å; V24-L28 HydrophobicContact CG1-CD1 3.68Å; V24-L28 HydrophobicContact CG1-CG 4.35Å; V24-L28 WeakPolarHBondContact O-CB 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.45Å; V24-L28 PolarHBondContact O-N 3.06Å; V24-L64 HydrophobicContact CG1-CD1 3.97Å; V24-V67 HydrophobicContact CB-CG1 4.38Å; V24-V67 HydrophobicContact CG1-CG1 4.27Å; V24-V67 HydrophobicContact CG2-CG1 4.07Å; V24-I71 HydrophobicContact CG2-CD1 3.75Å; V24-L74 HydrophobicContact CG2-CD1 3.75Å
25K92Very high90.1Very high12 Ų1269.2 Ų69.25%0.05233%0.328CS..Hα-helixtrans-55.5-45.1174.4-77.9-161.7-71.9177.50111.7F21 R22 T23 L28 R29 Q39 Y42 L47F21-K25 HydrophobicContact CD1-CD 4.33Å; F21-K25 HydrophobicContact CE1-CD 3.68Å; F21-K25 HydrophobicContact CE1-CG 4.18Å; F21-K25 HydrophobicContact CE2-CD 4.46Å; F21-K25 HydrophobicContact CE2-CG 4.19Å; F21-K25 HydrophobicContact CZ-CD 3.74Å; F21-K25 HydrophobicContact CZ-CG 3.96Å; F21-K25 WeakPolarHBondContact O-CB 3.44Å; F21-K25 WeakPolarHBondContact O-CG 3.47Å; F21-K25 PolarHBondContact O-N 3.23Å; R22-K25 PolarHBondContact O-N 3.4Å; T23-K25 PolarHBondContact O-N 3.17Å; K25-L28 PolarHBondContact O-N 3.06Å; K25-R29 PolarHBondContact O-N 3.04Å; K25-R29 VanDerWaalsContact O-N 3.14Å; K25-Q39 HydrophobicContact CB-CG 4.25Å; K25-Q39 WeakPolarHBondContact CE-O 3.44Å; K25-Q39 PolarHBondContact NZ-O 3.39Å; K25-Y42 PolarHBondContact NZ-O 2.94Å; K25-L47 HydrophobicContact CG-CD2 3.84Å
26S90.3Very high89.6Confident62 Ų6273.2 Ų73.243%0.43434%0.338SS..Hα-helixtrans-63.8-45.3179.2-166.40000112.4R22 T23 V24 L28 R29 Q39R22-S26 PolarHBondContact O-N 2.93Å; T23-S26 WeakPolarHBondContact O-CB 3.46Å; T23-S26 PolarHBondContact O-N 2.58Å; T23-S26 VanDerWaalsContact O-N 3.15Å; V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 2.75Å; S26-L28 PolarHBondContact O-N 2.61Å; S26-R29 WeakPolarHBondContact O-CB 3.44Å; S26-R29 PolarHBondContact O-N 3.23Å; S26-Q39 VanDerWaalsContact CA-NE2 3.35Å
27L92.8Very high88.9Confident85 Ų8580.7 Ų80.745%0.44537%0.37SS..Hα-helixtrans-67.7-36.4180-68.3174000112.2T23 V24 R29 V67 I71T23-L27 HydrophobicContact CG2-CD1 4.14Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 3.34Å; V24-L27 PolarHBondContact O-N 2.9Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.4Å; L27-V67 HydrophobicContact CB-CG1 3.85Å; L27-V67 HydrophobicContact CB-CG2 4.5Å; L27-V67 HydrophobicContact CD1-CG1 3.71Å; L27-V67 HydrophobicContact CG-CG1 4.44Å; L27-I71 HydrophobicContact CD1-CD1 4.01Å; L27-I71 HydrophobicContact CD1-CG1 4.17Å
28L91.2Very high87.9Confident0 Ų076.7 Ų76.70%035%0.353CS..Hα-helixtrans-76.5-11176.5-70.4173.2000113.6V24 K25 S26 K30 E31 L32 M51 K63 V67V24-L28 HydrophobicContact CG1-CD1 3.68Å; V24-L28 HydrophobicContact CG1-CG 4.35Å; V24-L28 WeakPolarHBondContact O-CB 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.45Å; V24-L28 PolarHBondContact O-N 3.06Å; K25-L28 PolarHBondContact O-N 3.06Å; S26-L28 PolarHBondContact O-N 2.61Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.41Å; L28-E31 PolarHBondContact O-N 3.39Å; L28-L32 HydrophobicContact CB-CD1 3.79Å; L28-L32 HydrophobicContact CB-CG 4.24Å; L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CG-CD1 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 2.9Å; L28-M51 HydrophobicContact CD1-CE 4.31Å; L28-M51 HydrophobicContact CD1-SD 3.97Å; L28-K63 HydrophobicContact CD2-CG 3.92Å; L28-V67 HydrophobicContact CD2-CG2 3.64Å; L28-V67 HydrophobicContact CG-CG2 4.06Å
29R88.5Confident87.1Confident91 Ų9173.9 Ų73.934%0.34334%0.337SS..Hα-helixtrans-49.5-49-177179.1-170.8-90.6-164.9-3112.5K25 S26 L27 E31 K33 L34K25-R29 PolarHBondContact O-N 3.04Å; K25-R29 VanDerWaalsContact O-N 3.14Å; S26-R29 WeakPolarHBondContact O-CB 3.44Å; S26-R29 PolarHBondContact O-N 3.23Å; L27-R29 VanDerWaalsContact C-N 3.28Å; L27-R29 PolarHBondContact O-N 3.4Å; R29-E31 VanDerWaalsContact C-N 3.28Å; R29-E31 PolarHBondContact O-N 2.94Å; R29-K33 CarbonylContact O-C 3.46Å; R29-K33 VanDerWaalsContact O-CA 3.27Å; R29-K33 WeakPolarHBondContact O-CA 3.36Å; R29-K33 PolarHBondContact O-N 3.14Å; R29-L34 HydrophobicContact CG-CB 4.24Å; R29-L34 WeakPolarHBondContact CG-O 3.38Å; R29-L34 PolarHBondContact O-N 3.26Å
30K85.5Confident86.4Confident192 Ų19272.7 Ų72.784%0.83534%0.337SS*.Hα-helixtrans-66.8-33-176.8-67.8-174.5179.1179.90112.1L28L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.41Å
31E86.3Confident86Confident66 Ų6677.9 Ų77.931%0.30837%0.366SS..Hα-helixtrans-85.8-38.8-172.1-48.4-169.1151.900111.9L28 R29 K33 F55 K63L28-E31 PolarHBondContact O-N 3.39Å; R29-E31 VanDerWaalsContact C-N 3.28Å; R29-E31 PolarHBondContact O-N 2.94Å; E31-K33 VanDerWaalsContact C-N 3.31Å; E31-F55 HydrophobicContact CB-CZ 4.04Å; E31-K63 WeakPolarHBondContact OE1-CE 3.46Å; E31-K63 IonicContact OE1-NZ 2.61Å; E31-K63 PolarHBondContact OE1-NZ 3.36Å; E31-K63 WeakPolarHBondContact OE2-CD 3.41Å; E31-K63 WeakPolarHBondContact OE2-CE 3.39Å; E31-K63 WeakPolarHBondContact OE2-CG 2.93Å; E31-K63 IonicContact OE2-NZ 2.75Å; E31-K63 PolarHBondContact OE2-NZ 2.56Å
32L84.9Confident85.8Confident1 Ų179 Ų791%0.00537%0.369CS..Hα-helixtrans-86.4-3.8175.7-68.6177.3000113L28 L34 L47 W50 M51 K54 F55L28-L32 HydrophobicContact CB-CD1 3.79Å; L28-L32 HydrophobicContact CB-CG 4.24Å; L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CG-CD1 4.49Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 PolarHBondContact O-N 2.9Å; L32-L34 HydrophobicContact CB-CD1 4.25Å; L32-L34 HydrophobicContact CB-CD2 3.81Å; L32-L34 HydrophobicContact CB-CG 3.69Å; L32-L34 HydrophobicContact CD1-CD1 4.25Å; L32-L34 HydrophobicContact CD1-CD2 4.46Å; L32-L34 PolarHBondContact O-N 2.88Å; L32-L47 HydrophobicContact CD1-CD1 3.66Å; L32-W50 PolarHBondContact O-NE1 3.4Å; L32-W50 VanDerWaalsContact O-NE1 3.15Å; L32-M51 HydrophobicContact CD1-CG 3.95Å; L32-M51 HydrophobicContact CD2-CG 4.14Å; L32-K54 HydrophobicContact CD2-CB 3.78Å; L32-K54 HydrophobicContact CD2-CG 3.92Å; L32-F55 HydrophobicContact CD2-CD2 3.81Å; L32-F55 HydrophobicContact CD2-CE2 3.27Å; L32-F55 HydrophobicContact CD2-CZ 4.1Å; L32-F55 HydrophobicContact CG-CE2 4.06Å
33K83.5Confident85.7Confident177 Ų17774.8 Ų74.877%0.7736%0.359SS*.THydrogen-bonded Turntrans50.143.5-173.7-58.6-179.8-178.8178.70112R29 E31 T35R29-K33 CarbonylContact O-C 3.46Å; R29-K33 VanDerWaalsContact O-CA 3.27Å; R29-K33 WeakPolarHBondContact O-CA 3.36Å; R29-K33 PolarHBondContact O-N 3.14Å; E31-K33 VanDerWaalsContact C-N 3.31Å; K33-T35 PolarHBondContact O-N 3.32Å
34L80Confident85.8Confident10 Ų1076.4 Ų76.45%0.05236%0.361CS..  trans-68.4128.4-179.6-56.3175.3000109.4R29 L32 Y42 L47R29-L34 HydrophobicContact CG-CB 4.24Å; R29-L34 WeakPolarHBondContact CG-O 3.38Å; R29-L34 PolarHBondContact O-N 3.26Å; L32-L34 HydrophobicContact CB-CD1 4.25Å; L32-L34 HydrophobicContact CB-CD2 3.81Å; L32-L34 HydrophobicContact CB-CG 3.69Å; L32-L34 HydrophobicContact CD1-CD1 4.25Å; L32-L34 HydrophobicContact CD1-CD2 4.46Å; L32-L34 PolarHBondContact O-N 2.88Å; L34-Y42 HydrophobicContact CD2-CD2 4Å; L34-Y42 HydrophobicContact CD2-CE2 3.67Å; L34-L47 HydrophobicContact CD1-CD1 4.36Å
35T82.4Confident85.9Confident79 Ų7981 Ų8149%0.48538%0.384SS..  trans-70.8158.1168.259.50000109.6K33 K37 L38 Q39K33-T35 PolarHBondContact O-N 3.32Å; T35-K37 PolarHBondContact O-N 2.64Å; T35-L38 PolarHBondContact O-N 3.24Å; T35-L38 VanDerWaalsContact O-N 3.16Å; T35-Q39 PolarHBondContact O-N 3.01Å; T35-Q39 VanDerWaalsContact O-N 3.16Å
36K80.5Confident85.9Confident145 Ų14584.3 Ų84.363%0.6340%0.4SS*.Hα-helixtrans-56.7-39-178.1-170.5176.9179.8-170.90112.1Q39K36-Q39 PolarHBondContact O-N 3.37Å
37K77.4Confident86.1Confident164 Ų16481.3 Ų81.371%0.71338%0.38SS*.Hα-helixtrans-61.7-49.8176.6-60.6-171.2175.4-171.90111.7T35 Q39 E40 D41T35-K37 PolarHBondContact O-N 2.64Å; K37-Q39 VanDerWaalsContact C-N 3.27Å; K37-Q39 PolarHBondContact O-N 3.45Å; K37-E40 PolarHBondContact O-N 2.8Å; K37-D41 PolarHBondContact O-N 3.15Å
38L74.3Confident86.2Confident58 Ų5877.3 Ų77.330%0.30436%0.358SS..Hα-helixtrans-60.2-33.7179.2-101.460.1000113.1T35 E40 Y42T35-L38 PolarHBondContact O-N 3.24Å; T35-L38 VanDerWaalsContact O-N 3.16Å; L38-E40 PolarHBondContact O-N 2.9Å; L38-Y42 HydrophobicContact CB-CD2 3.73Å; L38-Y42 HydrophobicContact CB-CE2 3.42Å; L38-Y42 VanDerWaalsContact CB-CE2 3.42Å; L38-Y42 HydrophobicContact CD2-CE2 3.41Å; L38-Y42 VanDerWaalsContact CD2-CE2 3.41Å; L38-Y42 WeakPolarHBondContact CD2-OH 3.25Å; L38-Y42 HydrophobicContact CG-CD2 4Å; L38-Y42 HydrophobicContact CG-CE2 3.27Å; L38-Y42 VanDerWaalsContact O-CB 3.23Å; L38-Y42 WeakPolarHBondContact O-CB 3.31Å; L38-Y42 WeakPolarHBondContact O-CD2 3.15Å; L38-Y42 PolarHBondContact O-N 2.89Å
39Q75.2Confident86.4Confident28 Ų2880.1 Ų80.113%0.13137%0.374CS..Hα-helixtrans-65.8-38.7-179.3179.5176.1-12.200113.4K25 S26 T35 K36 K37K25-Q39 HydrophobicContact CB-CG 4.25Å; K25-Q39 WeakPolarHBondContact CE-O 3.44Å; K25-Q39 PolarHBondContact NZ-O 3.39Å; S26-Q39 VanDerWaalsContact CA-NE2 3.35Å; T35-Q39 PolarHBondContact O-N 3.01Å; T35-Q39 VanDerWaalsContact O-N 3.16Å; K36-Q39 PolarHBondContact O-N 3.37Å; K37-Q39 VanDerWaalsContact C-N 3.27Å; K37-Q39 PolarHBondContact O-N 3.45Å
40E80.8Confident86.5Confident132 Ų13279 Ų7962%0.61737%0.369SS*.Hα-helixtrans-71.7-44.8-178.8-73.8172.6-162.800109.8K37 L38K37-E40 PolarHBondContact O-N 2.8Å; L38-E40 PolarHBondContact O-N 2.9Å
41D85.1Confident86.9Confident126 Ų12669.9 Ų69.967%0.67433%0.33SS*.Hα-helixtrans-83.1-23.4-171.6-59.2-25.5000114.3K37 D43K37-D41 PolarHBondContact O-N 3.15Å; D41-D43 PolarHBondContact O-N 3.39Å
42Y90.3Very high87.3Confident34 Ų3468.5 Ų68.513%0.13332%0.323CS..  trans-65.9120.7-175.7-87.6-47.6000113K25 L34 L38 Q46K25-Y42 PolarHBondContact NZ-O 2.94Å; L34-Y42 HydrophobicContact CD2-CD2 4Å; L34-Y42 HydrophobicContact CD2-CE2 3.67Å; L38-Y42 HydrophobicContact CB-CD2 3.73Å; L38-Y42 HydrophobicContact CB-CE2 3.42Å; L38-Y42 VanDerWaalsContact CB-CE2 3.42Å; L38-Y42 HydrophobicContact CD2-CE2 3.41Å; L38-Y42 VanDerWaalsContact CD2-CE2 3.41Å; L38-Y42 WeakPolarHBondContact CD2-OH 3.25Å; L38-Y42 HydrophobicContact CG-CD2 4Å; L38-Y42 HydrophobicContact CG-CE2 3.27Å; L38-Y42 VanDerWaalsContact O-CB 3.23Å; L38-Y42 WeakPolarHBondContact O-CB 3.31Å; L38-Y42 WeakPolarHBondContact O-CD2 3.15Å; L38-Y42 PolarHBondContact O-N 2.89Å; Y42-Q46 HydrophobicContact CD1-CB 3.34Å; Y42-Q46 HydrophobicContact CD1-CG 4.22Å; Y42-Q46 HydrophobicContact CE1-CB 3.74Å; Y42-Q46 HydrophobicContact CG-CB 4.43Å
43D92.6Very high87.7Confident72 Ų7274 Ų7439%0.38535%0.352SS..  trans-78.2176.7167.772.836.3000111.8D41 I45 Q46 L47D41-D43 PolarHBondContact O-N 3.39Å; D43-I45 VanDerWaalsContact C-N 3.3Å; D43-I45 PolarHBondContact O-N 3.17Å; D43-I45 WeakPolarHBondContact OD1-CA 3.47Å; D43-I45 WeakPolarHBondContact OD1-CB 3.36Å; D43-I45 PolarHBondContact OD1-N 3.43Å; D43-Q46 WeakPolarHBondContact OD1-CB 3.46Å; D43-Q46 WeakPolarHBondContact OD1-CG 3.48Å; D43-Q46 PolarHBondContact OD1-N 2.9Å; D43-L47 WeakPolarHBondContact O-CB 3.34Å; D43-L47 PolarHBondContact O-N 3Å
44R94.9Very high88.1Confident70 Ų7070.3 Ų70.326%0.26434%0.336SS..Hα-helixtrans-65.9-33.1-177.4-61.4172.9-174.9-170-3.1112.2L9 L13 E14 M16 D18 F21 A48L9-R44 HydrophobicContact CD1-CB 4.23Å; L9-R44 WeakPolarHBondContact CD1-O 3.24Å; L13-R44 HydrophobicContact CB-CB 4.28Å; L13-R44 WeakPolarHBondContact CD1-O 3.46Å; L13-R44 WeakPolarHBondContact O-CD 3.35Å; E14-R44 PolarHBondContact O-NH1 3.11Å; E14-R44 VanDerWaalsContact O-NH1 3.14Å; M16-R44 PolarHBondContact O-NH2 2.75Å; D18-R44 IonicContact OD1-CZ 2.76Å; D18-R44 IonicContact OD1-NH2 2.79Å; D18-R44 PolarHBondContact OD1-NH2 2.95Å; F21-R44 HydrophobicContact CD1-CG 4.22Å; F21-R44 HydrophobicContact CD2-CG 4.13Å; F21-R44 HydrophobicContact CE1-CG 3.88Å; F21-R44 HydrophobicContact CE2-CB 4.29Å; F21-R44 HydrophobicContact CE2-CG 3.78Å; F21-R44 HydrophobicContact CG-CG 4.35Å; F21-R44 HydrophobicContact CZ-CB 4.19Å; F21-R44 HydrophobicContact CZ-CG 3.67Å; R44-A48 PolarHBondContact O-N 3.34Å
45I95.1Very high88.6Confident96 Ų9672.3 Ų72.349%0.49235%0.345SS..Hα-helixtrans-73.9-51.4-177.7-58.7173.2000109.1L9 D43 L47 A48 D49L9-I45 HydrophobicContact CD1-CG1 4.27Å; L9-I45 HydrophobicContact CD2-CG1 4.38Å; D43-I45 VanDerWaalsContact C-N 3.3Å; D43-I45 PolarHBondContact O-N 3.17Å; D43-I45 WeakPolarHBondContact OD1-CA 3.47Å; D43-I45 WeakPolarHBondContact OD1-CB 3.36Å; D43-I45 PolarHBondContact OD1-N 3.43Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.2Å; I45-A48 WeakPolarHBondContact O-CA 3.4Å; I45-A48 WeakPolarHBondContact O-CB 3.39Å; I45-A48 PolarHBondContact O-N 3.06Å; I45-D49 PolarHBondContact O-N 2.94Å
46Q93.4Very high89Confident82 Ų8272 Ų7238%0.38335%0.345SS..Hα-helixtrans-61.4-37.9179-65.5176.5-35.500111.7Y42 D43 A48 D49 W50Y42-Q46 HydrophobicContact CD1-CB 3.34Å; Y42-Q46 HydrophobicContact CD1-CG 4.22Å; Y42-Q46 HydrophobicContact CE1-CB 3.74Å; Y42-Q46 HydrophobicContact CG-CB 4.43Å; D43-Q46 WeakPolarHBondContact OD1-CB 3.46Å; D43-Q46 WeakPolarHBondContact OD1-CG 3.48Å; D43-Q46 PolarHBondContact OD1-N 2.9Å; Q46-A48 VanDerWaalsContact C-N 3.34Å; Q46-D49 PolarHBondContact O-N 3.39Å; Q46-W50 VanDerWaalsContact O-CB 3.31Å; Q46-W50 WeakPolarHBondContact O-CB 3.27Å; Q46-W50 PolarHBondContact O-N 3.48Å
47L93.6Very high89.5Confident0 Ų072.2 Ų72.20%035%0.345CS..Hα-helixtrans-63.9-40.5173.2-172.268.1000111.5L13 F21 K25 L32 L34 D43 I45 W50 M51L13-L47 HydrophobicContact CD1-CB 4.18Å; L13-L47 HydrophobicContact CD1-CD2 4.05Å; L13-L47 HydrophobicContact CD1-CG 4.25Å; L13-L47 HydrophobicContact CD2-CD2 4.08Å; F21-L47 HydrophobicContact CD2-CD2 4.47Å; F21-L47 HydrophobicContact CE2-CB 4.49Å; F21-L47 HydrophobicContact CE2-CD2 3.52Å; F21-L47 HydrophobicContact CZ-CB 4.37Å; F21-L47 HydrophobicContact CZ-CD2 3.98Å; K25-L47 HydrophobicContact CG-CD2 3.84Å; L32-L47 HydrophobicContact CD1-CD1 3.66Å; L34-L47 HydrophobicContact CD1-CD1 4.36Å; D43-L47 WeakPolarHBondContact O-CB 3.34Å; D43-L47 PolarHBondContact O-N 3Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.2Å; L47-W50 PolarHBondContact O-N 2.86Å; L47-M51 WeakPolarHBondContact O-CB 3.46Å; L47-M51 VanDerWaalsContact O-CG 3.25Å; L47-M51 WeakPolarHBondContact O-CG 3.29Å; L47-M51 PolarHBondContact O-N 3.15Å
48A95.2Very high90.2Very high0 Ų067.2 Ų67.20%032%0.322CS..Hα-helixtrans-64.9-42.1176.800000112.2V8 L9 L13 R44 I45 Q46 M51 E52V8-A48 HydrophobicContact CG1-CB 4.19Å; L9-A48 HydrophobicContact CB-CB 4.08Å; L9-A48 HydrophobicContact CD1-CB 4.2Å; L13-A48 HydrophobicContact CD1-CB 4.03Å; R44-A48 PolarHBondContact O-N 3.34Å; I45-A48 WeakPolarHBondContact O-CA 3.4Å; I45-A48 WeakPolarHBondContact O-CB 3.39Å; I45-A48 PolarHBondContact O-N 3.06Å; Q46-A48 VanDerWaalsContact C-N 3.34Å; A48-M51 PolarHBondContact O-N 3.1Å; A48-E52 PolarHBondContact O-N 3.39Å
49D94.1Very high91.1Very high60 Ų6064.5 Ų64.532%0.32131%0.308SS..Hα-helixtrans-58.9-49.5173.6-68.8-22.2000110.4K5 I45 Q46 M51 E52 D53K5-D49 WeakPolarHBondContact CE-OD1 3.29Å; K5-D49 IonicContact NZ-OD1 2.8Å; K5-D49 PolarHBondContact NZ-OD1 3.23Å; I45-D49 PolarHBondContact O-N 2.94Å; Q46-D49 PolarHBondContact O-N 3.39Å; D49-M51 VanDerWaalsContact C-N 3.31Å; D49-M51 PolarHBondContact O-N 2.83Å; D49-E52 WeakPolarHBondContact O-CB 3.38Å; D49-E52 PolarHBondContact O-N 2.83Å; D49-E52 VanDerWaalsContact O-N 3.08Å; D49-D53 PolarHBondContact O-N 3.42Å
50W92.4Very high92Very high67 Ų6763.3 Ų63.325%0.25430%0.303SS..Hα-helixtrans-63-36.4179.6-162.6-108.2000112.9L32 Q46 L47 D53 K54L32-W50 PolarHBondContact O-NE1 3.4Å; L32-W50 VanDerWaalsContact O-NE1 3.15Å; Q46-W50 VanDerWaalsContact O-CB 3.31Å; Q46-W50 WeakPolarHBondContact O-CB 3.27Å; Q46-W50 PolarHBondContact O-N 3.48Å; L47-W50 PolarHBondContact O-N 2.86Å; W50-D53 PolarHBondContact O-N 2.98Å; W50-K54 HydrophobicContact CD2-CG 4.5Å; W50-K54 HydrophobicContact CG-CG 4.41Å; W50-K54 WeakPolarHBondContact O-CB 3.45Å; W50-K54 WeakPolarHBondContact O-CG 3.43Å; W50-K54 PolarHBondContact O-N 3.23Å
51M93.1Very high92.8Very high0 Ų057 Ų570%027%0.274CS..Hα-helixtrans-66.4-37.1174.2-75.4-172.472.500112.3V8 L28 L32 L47 A48 D49 F55 G60 K63 L64V8-M51 HydrophobicContact CG1-SD 4.3Å; L28-M51 HydrophobicContact CD1-CE 4.31Å; L28-M51 HydrophobicContact CD1-SD 3.97Å; L32-M51 HydrophobicContact CD1-CG 3.95Å; L32-M51 HydrophobicContact CD2-CG 4.14Å; L47-M51 WeakPolarHBondContact O-CB 3.46Å; L47-M51 VanDerWaalsContact O-CG 3.25Å; L47-M51 WeakPolarHBondContact O-CG 3.29Å; L47-M51 PolarHBondContact O-N 3.15Å; A48-M51 PolarHBondContact O-N 3.1Å; D49-M51 VanDerWaalsContact C-N 3.31Å; D49-M51 PolarHBondContact O-N 2.83Å; M51-F55 CarbonylContact O-C 3.53Å; M51-F55 WeakPolarHBondContact O-CA 3.18Å; M51-F55 WeakPolarHBondContact O-CB 3.44Å; M51-F55 PolarHBondContact O-N 2.97Å; M51-G60 WeakPolarHBondContact CE-O 3.47Å; M51-K63 HydrophobicContact CE-CB 4.25Å; M51-L64 HydrophobicContact CE-CB 3.85Å
52E94.8Very high93.3Very high38 Ų3854 Ų5418%0.17826%0.258CS..Hα-helixtrans-64.8-43.5174.5-175.2171.7-136.500111.2K5 A48 D49 F55 P56 A59K5-E52 WeakPolarHBondContact CD-OE2 3.42Å; K5-E52 VanDerWaalsContact CE-OE2 3.23Å; K5-E52 WeakPolarHBondContact CE-OE2 3.45Å; K5-E52 IonicContact NZ-OE2 3.45Å; K5-E52 PolarHBondContact NZ-OE2 3.34Å; A48-E52 PolarHBondContact O-N 3.39Å; D49-E52 WeakPolarHBondContact O-CB 3.38Å; D49-E52 PolarHBondContact O-N 2.83Å; D49-E52 VanDerWaalsContact O-N 3.08Å; E52-F55 CarbonylContact O-C 3.5Å; E52-P56 WeakPolarHBondContact O-CA 3.27Å; E52-A59 HydrophobicContact CB-CB 4.13Å; E52-A59 HydrophobicContact CG-CB 4.05Å
53D92.3Very high93.5Very high115 Ų11554.9 Ų54.962%0.61526%0.262SS*.Hα-helixtrans-68.8-44.1-179.3-69.5-21.2000112.6D49 W50D49-D53 PolarHBondContact O-N 3.42Å; W50-D53 PolarHBondContact O-N 2.98Å
54K92.3Very high93.6Very high100 Ų10051.4 Ų51.444%0.43524%0.244SC..Hα-helixtrans-76.7-33.7-179.6-66.9-55.8-178.2-160.10112.9L32 W50 P56L32-K54 HydrophobicContact CD2-CB 3.78Å; L32-K54 HydrophobicContact CD2-CG 3.92Å; W50-K54 HydrophobicContact CD2-CG 4.5Å; W50-K54 HydrophobicContact CG-CG 4.41Å; W50-K54 WeakPolarHBondContact O-CB 3.45Å; W50-K54 WeakPolarHBondContact O-CG 3.43Å; W50-K54 PolarHBondContact O-N 3.23Å; K54-P56 WeakPolarHBondContact O-CD 3.46Å
55F91.9Very high93.7Very high53 Ų5348.5 Ų48.523%0.23223%0.233CC..  trans-127.175.7-176.7-55-59.1000109.8E31 L32 M51 E52 K57 A59 G60 K63E31-F55 HydrophobicContact CB-CZ 4.04Å; L32-F55 HydrophobicContact CD2-CD2 3.81Å; L32-F55 HydrophobicContact CD2-CE2 3.27Å; L32-F55 HydrophobicContact CD2-CZ 4.1Å; L32-F55 HydrophobicContact CG-CE2 4.06Å; M51-F55 CarbonylContact O-C 3.53Å; M51-F55 WeakPolarHBondContact O-CA 3.18Å; M51-F55 WeakPolarHBondContact O-CB 3.44Å; M51-F55 PolarHBondContact O-N 2.97Å; E52-F55 CarbonylContact O-C 3.5Å; F55-K57 PolarHBondContact O-N 3.02Å; F55-K57 VanDerWaalsContact O-N 3.11Å; F55-A59 CarbonylContact O-C 3.58Å; F55-A59 VanDerWaalsContact O-CA 3.31Å; F55-A59 WeakPolarHBondContact O-CA 2.84Å; F55-A59 PolarHBondContact O-N 3.07Å; F55-G60 VanDerWaalsContact CB-CA 3.5Å; F55-G60 PolarHBondContact O-N 3.11Å; F55-K63 HydrophobicContact CD2-CB 4.42Å; F55-K63 HydrophobicContact CE2-CB 4.41Å; F55-K63 HydrophobicContact CE2-CG 4.1Å; F55-K63 HydrophobicContact CZ-CG 4.41Å
56P89.3Confident93.8Very high73 Ų7349.4 Ų49.447%0.47423%0.234SC..THydrogen-bonded Turntrans-57.6-35.6-176.820.2-32.2000111.4M1 E52 K54 Y58 A59M1-P56 HydrophobicContact CE-CB 3.89Å; M1-P56 WeakPolarHBondContact CE-O 3.18Å; E52-P56 WeakPolarHBondContact O-CA 3.27Å; K54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-Y58 PolarHBondContact O-N 3.42Å; P56-A59 PolarHBondContact O-N 3.33Å; P56-A59 VanDerWaalsContact O-N 3.14Å
57K90.6Very high93.9Very high149 Ų14946 Ų4665%0.64822%0.219SC*.G310 helixtrans-61.9113.1176.8-172.6171.8179.6177.30111F55 A59 G60F55-K57 PolarHBondContact O-N 3.02Å; F55-K57 VanDerWaalsContact O-N 3.11Å; K57-A59 PolarHBondContact O-N 2.88Å; K57-G60 PolarHBondContact O-N 3.41Å
58Y93.3Very high94Very high59 Ų5946 Ų4623%0.23122%0.219CC..G310 helixtrans54.626.8-176.7-48.9-62.5000113.7Y4 P56 G60 L61 D62Y4-Y58 WeakPolarHBondContact CB-O 2.77Å; Y4-Y58 HydrophobicContact CD1-CD1 4.46Å; Y4-Y58 HydrophobicContact CD2-CD1 4.08Å; Y4-Y58 HydrophobicContact CE1-CD1 4.04Å; Y4-Y58 AromaticContact CE2-CD1 3.61Å; Y4-Y58 HydrophobicContact CE2-CD1 3.61Å; Y4-Y58 HydrophobicContact CE2-CE1 4.26Å; Y4-Y58 HydrophobicContact CG-CD1 4.49Å; Y4-Y58 AromaticContact CZ-CD1 3.59Å; P56-Y58 PolarHBondContact O-N 3.42Å; Y58-G60 PolarHBondContact O-N 3.2Å; Y58-L61 WeakPolarHBondContact O-CB 3.13Å; Y58-L61 PolarHBondContact O-N 2.97Å; Y58-D62 VanDerWaalsContact CD2-OD2 3.26Å; Y58-D62 WeakPolarHBondContact CD2-OD2 3.07Å
59A93.9Very high94Very high1 Ų149.8 Ų49.81%0.00824%0.236CC..G310 helixtrans51.538.3-17900000114K5 E52 F55 P56 K57 L61K5-A59 HydrophobicContact CB-CB 4.14Å; E52-A59 HydrophobicContact CB-CB 4.13Å; E52-A59 HydrophobicContact CG-CB 4.05Å; F55-A59 CarbonylContact O-C 3.58Å; F55-A59 VanDerWaalsContact O-CA 3.31Å; F55-A59 WeakPolarHBondContact O-CA 2.84Å; F55-A59 PolarHBondContact O-N 3.07Å; P56-A59 PolarHBondContact O-N 3.33Å; P56-A59 VanDerWaalsContact O-N 3.14Å; K57-A59 PolarHBondContact O-N 2.88Å; A59-L61 PolarHBondContact O-N 3Å
60G94.2Very high93.9Very high2 Ų253.3 Ų53.32%0.02125%0.251CS..G310 helixtrans73.73.2-179.600000115.8M51 F55 K57 Y58 D62 K63 L64M51-G60 WeakPolarHBondContact CE-O 3.47Å; F55-G60 VanDerWaalsContact CB-CA 3.5Å; F55-G60 PolarHBondContact O-N 3.11Å; K57-G60 PolarHBondContact O-N 3.41Å; Y58-G60 PolarHBondContact O-N 3.2Å; G60-D62 PolarHBondContact O-N 3.25Å; G60-D62 VanDerWaalsContact O-N 3.17Å; G60-K63 WeakPolarHBondContact O-CA 2.92Å; G60-K63 VanDerWaalsContact O-CB 3.24Å; G60-K63 WeakPolarHBondContact O-CB 3.39Å; G60-K63 PolarHBondContact O-N 3.32Å; G60-L64 PolarHBondContact O-N 2.8Å; G60-L64 VanDerWaalsContact O-N 3.11Å
61L96.1Very high94Very high0 Ų050.9 Ų50.90%024%0.242CC..Hα-helixtrans-54.7-38-177.7-179.957.8000113.4Y4 I7 V8 Y58 A59 K63 L64 I65 L81 K85Y4-L61 HydrophobicContact CD1-CD2 3.92Å; I7-L61 HydrophobicContact CB-CD2 4.49Å; I7-L61 HydrophobicContact CG2-CD1 3.9Å; I7-L61 HydrophobicContact CG2-CD2 4Å; V8-L61 HydrophobicContact CG2-CB 3.76Å; V8-L61 HydrophobicContact CG2-CD1 3.85Å; V8-L61 HydrophobicContact CG2-CG 4.38Å; Y58-L61 WeakPolarHBondContact O-CB 3.13Å; Y58-L61 PolarHBondContact O-N 2.97Å; A59-L61 PolarHBondContact O-N 3Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.05Å; L61-L64 PolarHBondContact O-N 3.18Å; L61-I65 HydrophobicContact CD1-CD1 4.16Å; L61-I65 HydrophobicContact CD1-CG1 4.27Å; L61-I65 HydrophobicContact CG-CD1 3.94Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 2.6Å; L61-L81 HydrophobicContact CD1-CB 4.32Å; L61-L81 HydrophobicContact CD1-CD1 4.47Å; L61-L81 HydrophobicContact CD1-CD2 4.14Å; L61-K85 HydrophobicContact CD2-CB 3.87Å; L61-K85 HydrophobicContact CD2-CG 4.01Å
62D95.3Very high94Very high64 Ų6459.9 Ų59.934%0.34228%0.281SS..Hα-helixtrans-64.9-34.8178.3-74.8-15.7000112.5Y58 G60 K66 K85Y58-D62 VanDerWaalsContact CD2-OD2 3.26Å; Y58-D62 WeakPolarHBondContact CD2-OD2 3.07Å; G60-D62 PolarHBondContact O-N 3.25Å; G60-D62 VanDerWaalsContact O-N 3.17Å; D62-K66 PolarHBondContact O-N 3.36Å; D62-K66 VanDerWaalsContact O-N 3.1Å; D62-K85 VanDerWaalsContact OD1-CE 3.25Å; D62-K85 WeakPolarHBondContact OD1-CE 3.34Å; D62-K85 IonicContact OD1-NZ 2.58Å; D62-K85 PolarHBondContact OD1-NZ 3.07Å; D62-K85 IonicContact OD2-NZ 2.93Å; D62-K85 PolarHBondContact OD2-NZ 3.21Å
63K94.9Very high93.9Very high51 Ų5163.6 Ų63.622%0.22230%0.303CS..Hα-helixtrans-68.5-46.1176.6-146.573.1-133.3-120.70111.1L28 E31 M51 F55 G60 L61 I65 K66 V67L28-K63 HydrophobicContact CD2-CG 3.92Å; E31-K63 WeakPolarHBondContact OE1-CE 3.46Å; E31-K63 IonicContact OE1-NZ 2.61Å; E31-K63 PolarHBondContact OE1-NZ 3.36Å; E31-K63 WeakPolarHBondContact OE2-CD 3.41Å; E31-K63 WeakPolarHBondContact OE2-CE 3.39Å; E31-K63 WeakPolarHBondContact OE2-CG 2.93Å; E31-K63 IonicContact OE2-NZ 2.75Å; E31-K63 PolarHBondContact OE2-NZ 2.56Å; M51-K63 HydrophobicContact CE-CB 4.25Å; F55-K63 HydrophobicContact CD2-CB 4.42Å; F55-K63 HydrophobicContact CE2-CB 4.41Å; F55-K63 HydrophobicContact CE2-CG 4.1Å; F55-K63 HydrophobicContact CZ-CG 4.41Å; G60-K63 WeakPolarHBondContact O-CA 2.92Å; G60-K63 VanDerWaalsContact O-CB 3.24Å; G60-K63 WeakPolarHBondContact O-CB 3.39Å; G60-K63 PolarHBondContact O-N 3.32Å; L61-K63 VanDerWaalsContact C-N 3.26Å; L61-K63 PolarHBondContact O-N 3.05Å; K63-I65 PolarHBondContact O-N 3.48Å; K63-K66 PolarHBondContact O-N 3.25Å; K63-V67 WeakPolarHBondContact O-CG2 3.5Å; K63-V67 PolarHBondContact O-N 3.1Å
64L95.9Very high94.1Very high0 Ų058.6 Ų58.60%028%0.276CS..Hα-helixtrans-58.2-48.5175.9-177.961000111.2V8 L13 M16 V24 M51 G60 L61 K66 V67 C68 L81V8-L64 HydrophobicContact CB-CD2 4.47Å; V8-L64 HydrophobicContact CG1-CD2 4.12Å; V8-L64 HydrophobicContact CG2-CD2 4.47Å; L13-L64 HydrophobicContact CD2-CD1 3.87Å; L13-L64 HydrophobicContact CD2-CD2 4.35Å; M16-L64 HydrophobicContact CE-CD1 4.26Å; V24-L64 HydrophobicContact CG1-CD1 3.97Å; M51-L64 HydrophobicContact CE-CB 3.85Å; G60-L64 PolarHBondContact O-N 2.8Å; G60-L64 VanDerWaalsContact O-N 3.11Å; L61-L64 PolarHBondContact O-N 3.18Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 2.97Å; L64-V67 PolarHBondContact O-N 3.25Å; L64-C68 PolarHBondContact O-N 2.82Å; L64-C68 PolarHBondContact O-SG 3.44Å; L64-L81 HydrophobicContact CD2-CD1 3.97Å; L64-L81 HydrophobicContact CG-CD1 4.14Å
65I97.1Very high94.2Very high9 Ų959.7 Ų59.75%0.04628%0.281CS..Hα-helixtrans-55.9-47.8177.8-70.9165.5000110.5L61 K63 V67 C68 E69 L81 K82L61-I65 HydrophobicContact CD1-CD1 4.16Å; L61-I65 HydrophobicContact CD1-CG1 4.27Å; L61-I65 HydrophobicContact CG-CD1 3.94Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 2.6Å; K63-I65 PolarHBondContact O-N 3.48Å; I65-V67 VanDerWaalsContact C-N 3.34Å; I65-V67 PolarHBondContact O-N 3.42Å; I65-C68 PolarHBondContact O-N 3.26Å; I65-E69 WeakPolarHBondContact O-CG 3.44Å; I65-E69 PolarHBondContact O-N 2.92Å; I65-L81 HydrophobicContact CD1-CB 4.07Å; I65-L81 HydrophobicContact CG1-CB 3.67Å; I65-L81 HydrophobicContact CG1-CD1 4.22Å; I65-K82 HydrophobicContact CD1-CG 4.05Å; I65-K82 HydrophobicContact CG2-CD 4.29Å; I65-K82 HydrophobicContact CG2-CG 3.79Å
66K95.9Very high94.4Very high115 Ų11562.4 Ų62.450%0.530%0.297SS..Hα-helixtrans-59-45.2-179.9-171.3175.7-176.5177.60111.4D62 K63 L64 E69 H70D62-K66 PolarHBondContact O-N 3.36Å; D62-K66 VanDerWaalsContact O-N 3.1Å; K63-K66 PolarHBondContact O-N 3.25Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 2.97Å; K66-E69 PolarHBondContact O-N 3.03Å; K66-H70 PolarHBondContact O-CE1 3.39Å; K66-H70 PolarHBondContact O-ND1 2.88Å
67V95.5Very high94.8Very high11 Ų1159.9 Ų59.97%0.06728%0.28CS..Hα-helixtrans-64.1-45.2177.8174.40000111.3V24 L27 L28 K63 L64 I65 E69 H70 I71V24-V67 HydrophobicContact CB-CG1 4.38Å; V24-V67 HydrophobicContact CG1-CG1 4.27Å; V24-V67 HydrophobicContact CG2-CG1 4.07Å; L27-V67 HydrophobicContact CB-CG1 3.85Å; L27-V67 HydrophobicContact CB-CG2 4.5Å; L27-V67 HydrophobicContact CD1-CG1 3.71Å; L27-V67 HydrophobicContact CG-CG1 4.44Å; L28-V67 HydrophobicContact CD2-CG2 3.64Å; L28-V67 HydrophobicContact CG-CG2 4.06Å; K63-V67 WeakPolarHBondContact O-CG2 3.5Å; K63-V67 PolarHBondContact O-N 3.1Å; L64-V67 PolarHBondContact O-N 3.25Å; I65-V67 VanDerWaalsContact C-N 3.34Å; I65-V67 PolarHBondContact O-N 3.42Å; V67-E69 PolarHBondContact O-N 3.44Å; V67-H70 PolarHBondContact O-N 3.2Å; V67-H70 VanDerWaalsContact O-N 3.07Å; V67-I71 HydrophobicContact CG1-CD1 4.27Å
68C95.6Very high95Very high0 Ų052.9 Ų52.90%025%0.25CC..Hα-helixtrans-61-29.4178.2-67.10000113.2L64 I65 H70 I71 L74 A78L64-C68 PolarHBondContact O-N 2.82Å; L64-C68 PolarHBondContact O-SG 3.44Å; I65-C68 PolarHBondContact O-N 3.26Å; C68-H70 VanDerWaalsContact C-N 3.27Å; C68-H70 PolarHBondContact O-N 3.46Å; C68-I71 PolarHBondContact O-N 3.48Å; C68-L74 HydrophobicContact CB-CB 3.91Å; C68-L74 HydrophobicContact CB-CD1 4.49Å; C68-L74 CarbonylContact O-C 3.36Å; C68-A78 HydrophobicContact CB-CB 3.81Å
69E95.8Very high95.2Very high79 Ų7955.4 Ų55.437%0.36926%0.262SS..Hα-helixtrans-67.5-26.4175.8-73.4175158.500114I65 K66 V67 I71 A78 K82I65-E69 WeakPolarHBondContact O-CG 3.44Å; I65-E69 PolarHBondContact O-N 2.92Å; K66-E69 PolarHBondContact O-N 3.03Å; V67-E69 PolarHBondContact O-N 3.44Å; E69-I71 VanDerWaalsContact C-N 3.32Å; E69-A78 HydrophobicContact CG-CB 3.84Å; E69-K82 WeakPolarHBondContact OE1-CE 3.14Å; E69-K82 IonicContact OE1-NZ 3.83Å; E69-K82 PolarHBondContact OE1-NZ 2.87Å
70H92.7Very high95.4Very high134 Ų13460.6 Ų60.662%0.6228%0.284SS*.Hα-helixtrans-84.9-13.4-178.1-65.453.8000111.6K66 V67 C68K66-H70 PolarHBondContact O-CE1 3.39Å; K66-H70 PolarHBondContact O-ND1 2.88Å; V67-H70 PolarHBondContact O-N 3.2Å; V67-H70 VanDerWaalsContact O-N 3.07Å; C68-H70 VanDerWaalsContact C-N 3.27Å; C68-H70 PolarHBondContact O-N 3.46Å
71I93.6Very high95.5Very high16 Ų1660.5 Ų60.58%0.08228%0.283CS..SBendtrans-101.7119.9177.9-61.2165.9000107.9T23 V24 L27 V67 C68 E69 D73 L74 K75T23-I71 HydrophobicContact CG2-CD1 3.87Å; T23-I71 HydrophobicContact CG2-CG1 4.27Å; V24-I71 HydrophobicContact CG2-CD1 3.75Å; L27-I71 HydrophobicContact CD1-CD1 4.01Å; L27-I71 HydrophobicContact CD1-CG1 4.17Å; V67-I71 HydrophobicContact CG1-CD1 4.27Å; C68-I71 PolarHBondContact O-N 3.48Å; E69-I71 VanDerWaalsContact C-N 3.32Å; I71-D73 VanDerWaalsContact C-N 3.27Å; I71-D73 PolarHBondContact O-N 3.16Å; I71-L74 HydrophobicContact CB-CB 4.15Å; I71-L74 HydrophobicContact CB-CD1 4.28Å; I71-L74 HydrophobicContact CB-CG 4.21Å; I71-L74 HydrophobicContact CD1-CD1 3.77Å; I71-L74 HydrophobicContact CG2-CB 4.19Å; I71-L74 HydrophobicContact CG2-CD1 4.19Å; I71-L74 HydrophobicContact CG2-CG 3.84Å; I71-L74 PolarHBondContact O-N 3.39Å; I71-L74 VanDerWaalsContact O-N 3.13Å; I71-K75 PolarHBondContact O-N 2.97Å
72K93.3Very high95.6Very high188 Ų18865.3 Ų65.382%0.81730%0.304SS*.G310 helixtrans-55.3-44.1-174.7-65.7-178.8-178.4178.90111.9L74 K75K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 3.26Å; K72-K75 WeakPolarHBondContact O-CB 3.19Å; K72-K75 PolarHBondContact O-N 3.22Å
73D92.8Very high95.6Very high117 Ų11765.9 Ų65.963%0.62631%0.31SS*.G310 helixtrans-74.2-19.4-175.2-49-30.1000113.2Q20 I71Q20-D73 PolarHBondContact NE2-OD2 2.93Å; I71-D73 VanDerWaalsContact C-N 3.27Å; I71-D73 PolarHBondContact O-N 3.16Å
74L95.5Very high95.7Very high10 Ų1064.8 Ų64.85%0.05231%0.306CS..G310 helixtrans-100.85.5179-59-174.7000113M16 Q20 V24 C68 I71 K72 D76 L77 A78M16-L74 HydrophobicContact CB-CD2 4Å; M16-L74 HydrophobicContact CE-CD1 4.25Å; Q20-L74 HydrophobicContact CB-CD1 4.17Å; Q20-L74 HydrophobicContact CB-CD2 4.04Å; Q20-L74 HydrophobicContact CB-CG 4.31Å; Q20-L74 HydrophobicContact CG-CD2 4.2Å; V24-L74 HydrophobicContact CG2-CD1 3.75Å; C68-L74 HydrophobicContact CB-CB 3.91Å; C68-L74 HydrophobicContact CB-CD1 4.49Å; C68-L74 CarbonylContact O-C 3.36Å; I71-L74 HydrophobicContact CB-CB 4.15Å; I71-L74 HydrophobicContact CB-CD1 4.28Å; I71-L74 HydrophobicContact CB-CG 4.21Å; I71-L74 HydrophobicContact CD1-CD1 3.77Å; I71-L74 HydrophobicContact CG2-CB 4.19Å; I71-L74 HydrophobicContact CG2-CD1 4.19Å; I71-L74 HydrophobicContact CG2-CG 3.84Å; I71-L74 PolarHBondContact O-N 3.39Å; I71-L74 VanDerWaalsContact O-N 3.13Å; K72-L74 VanDerWaalsContact C-N 3.29Å; K72-L74 PolarHBondContact O-N 3.26Å; L74-D76 VanDerWaalsContact C-N 3.29Å; L74-D76 PolarHBondContact O-N 3.14Å; L74-L77 HydrophobicContact CB-CB 4.43Å; L74-L77 HydrophobicContact CD2-CD2 3.99Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.16Å; L74-L77 VanDerWaalsContact O-N 3.15Å; L74-A78 PolarHBondContact O-N 3.22Å
75K96.2Very high95.6Very high123 Ų12366.3 Ų66.354%0.53531%0.312SS..Hα-helixtrans-61.5-38.6-177.9-168173.4-175.2176.90112.2I71 K72 A78 K79I71-K75 PolarHBondContact O-N 2.97Å; K72-K75 WeakPolarHBondContact O-CB 3.19Å; K72-K75 PolarHBondContact O-N 3.22Å; K75-A78 WeakPolarHBondContact O-CB 3.47Å; K75-A78 PolarHBondContact O-N 3.14Å; K75-K79 WeakPolarHBondContact O-CG 3.47Å; K75-K79 PolarHBondContact O-N 3.28Å
76D96.2Very high95.5Very high109 Ų10967.9 Ų67.958%0.58333%0.326SS*.Hα-helixtrans-74-33.8176.9-64.9-42.9000112.3L74 A78 K79 K80L74-D76 VanDerWaalsContact C-N 3.29Å; L74-D76 PolarHBondContact O-N 3.14Å; D76-A78 VanDerWaalsContact C-N 3.32Å; D76-A78 PolarHBondContact O-N 3.49Å; D76-K79 PolarHBondContact O-N 3.34Å; D76-K79 IonicContact OD1-NZ 2.64Å; D76-K79 PolarHBondContact OD1-NZ 3.24Å; D76-K80 PolarHBondContact O-N 3.25Å
77L95.7Very high95.3Very high20 Ų2067.3 Ų67.311%0.10532%0.324CS..Hα-helixtrans-60-43.6169.9-172.964.3000111K11 M16 L74 K79 K80 L81K11-L77 WeakPolarHBondContact O-CD1 3.41Å; M16-L77 HydrophobicContact CB-CD2 4.4Å; M16-L77 HydrophobicContact CE-CD2 4.02Å; L74-L77 HydrophobicContact CB-CB 4.43Å; L74-L77 HydrophobicContact CD2-CD2 3.99Å; L74-L77 WeakPolarHBondContact O-CB 3.43Å; L74-L77 PolarHBondContact O-N 3.16Å; L74-L77 VanDerWaalsContact O-N 3.15Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.16Å; L77-K80 HydrophobicContact CD1-CD 4.46Å; L77-K80 WeakPolarHBondContact O-CB 3.32Å; L77-K80 PolarHBondContact O-N 3.43Å; L77-K80 VanDerWaalsContact O-N 3.16Å; L77-L81 HydrophobicContact CG-CD1 4.3Å; L77-L81 HydrophobicContact CG-CG 4.46Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 3.41Å
78A96.8Very high95.2Very high2 Ų267.5 Ų67.52%0.01733%0.325CS..Hα-helixtrans-58.8-43.5176.600000111.9C68 E69 L74 K75 D76 L81 K82C68-A78 HydrophobicContact CB-CB 3.81Å; E69-A78 HydrophobicContact CG-CB 3.84Å; L74-A78 PolarHBondContact O-N 3.22Å; K75-A78 WeakPolarHBondContact O-CB 3.47Å; K75-A78 PolarHBondContact O-N 3.14Å; D76-A78 VanDerWaalsContact C-N 3.32Å; D76-A78 PolarHBondContact O-N 3.49Å; A78-L81 PolarHBondContact O-N 3.43Å; A78-K82 WeakPolarHBondContact O-CG 3.49Å; A78-K82 PolarHBondContact O-N 3.34Å
79K97.3Very high94.8Very high113 Ų11371.1 Ų71.149%0.49134%0.342SS..Hα-helixtrans-61.7-43.6174.7-64.4172.2-167159.90111.8K75 D76 L77 K82 T83K75-K79 WeakPolarHBondContact O-CG 3.47Å; K75-K79 PolarHBondContact O-N 3.28Å; D76-K79 PolarHBondContact O-N 3.34Å; D76-K79 IonicContact OD1-NZ 2.64Å; D76-K79 PolarHBondContact OD1-NZ 3.24Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.16Å; K79-K82 PolarHBondContact O-N 3.15Å; K79-T83 PolarHBondContact O-N 3.49Å; K79-T83 VanDerWaalsContact O-N 3.07Å; K79-T83 PolarHBondContact O-OG1 2.93Å
80K96.9Very high94.5Very high109 Ų10974.7 Ų74.747%0.47436%0.357SS..Hα-helixtrans-59.6-46.5176.1-176-177.7179-175.20111.1D76 L77 T83 E84D76-K80 PolarHBondContact O-N 3.25Å; L77-K80 HydrophobicContact CD1-CD 4.46Å; L77-K80 WeakPolarHBondContact O-CB 3.32Å; L77-K80 PolarHBondContact O-N 3.43Å; L77-K80 VanDerWaalsContact O-N 3.16Å; K80-T83 WeakPolarHBondContact O-CB 3.18Å; K80-T83 PolarHBondContact O-N 3.47Å; K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 2.84Å
81L96.9Very high94Very high0 Ų075.7 Ų75.70%036%0.359CS..Hα-helixtrans-63.3-42178.5-70.3177.4000112.6I7 K11 L61 L64 I65 L77 A78 T83 E84 K85I7-L81 HydrophobicContact CG2-CD2 3.68Å; K11-L81 HydrophobicContact CB-CD2 4.16Å; K11-L81 WeakPolarHBondContact O-CD2 3.23Å; L61-L81 HydrophobicContact CD1-CB 4.32Å; L61-L81 HydrophobicContact CD1-CD1 4.47Å; L61-L81 HydrophobicContact CD1-CD2 4.14Å; L64-L81 HydrophobicContact CD2-CD1 3.97Å; L64-L81 HydrophobicContact CG-CD1 4.14Å; I65-L81 HydrophobicContact CD1-CB 4.07Å; I65-L81 HydrophobicContact CG1-CB 3.67Å; I65-L81 HydrophobicContact CG1-CD1 4.22Å; L77-L81 HydrophobicContact CG-CD1 4.3Å; L77-L81 HydrophobicContact CG-CG 4.46Å; L77-L81 WeakPolarHBondContact O-CG 3.39Å; L77-L81 PolarHBondContact O-N 3.41Å; A78-L81 PolarHBondContact O-N 3.43Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 2.99Å; L81-E84 PolarHBondContact O-N 3Å; L81-K85 WeakPolarHBondContact O-CB 3.4Å; L81-K85 PolarHBondContact O-N 3.45Å
82K97.1Very high93.1Very high102 Ų10278.9 Ų78.944%0.44337%0.372SS..Hα-helixtrans-58.6-43.1173.2-74.4-179.7-179.6-174.40112.1I65 E69 A78 K79 K85 A86I65-K82 HydrophobicContact CD1-CG 4.05Å; I65-K82 HydrophobicContact CG2-CD 4.29Å; I65-K82 HydrophobicContact CG2-CG 3.79Å; E69-K82 WeakPolarHBondContact OE1-CE 3.14Å; E69-K82 IonicContact OE1-NZ 3.83Å; E69-K82 PolarHBondContact OE1-NZ 2.87Å; A78-K82 WeakPolarHBondContact O-CG 3.49Å; A78-K82 PolarHBondContact O-N 3.34Å; K79-K82 PolarHBondContact O-N 3.15Å; K82-K85 WeakPolarHBondContact O-CB 3.49Å; K82-K85 PolarHBondContact O-N 3.37Å; K82-A86 PolarHBondContact O-N 3.41Å
83T96.9Very high91.6Very high75 Ų7577 Ų7746%0.4637%0.367SS..Hα-helixtrans-63.8-46178.7-59.40000111.2K79 K80 L81 A86 K87K79-T83 PolarHBondContact O-N 3.49Å; K79-T83 VanDerWaalsContact O-N 3.07Å; K79-T83 PolarHBondContact O-OG1 2.93Å; K80-T83 WeakPolarHBondContact O-CB 3.18Å; K80-T83 PolarHBondContact O-N 3.47Å; L81-T83 VanDerWaalsContact C-N 3.31Å; L81-T83 PolarHBondContact O-N 2.99Å; T83-A86 PolarHBondContact O-N 3.37Å; T83-K87 WeakPolarHBondContact O-CG 3.42Å; T83-K87 PolarHBondContact O-N 3.42Å
84E95.4Very high89.9Confident28 Ų2873.6 Ų73.613%0.13136%0.359CS..Hα-helixtrans-64.3-39.7176.6-71.4-64.1141.700112.5I7 K11 K80 L81 A86 K87 V88I7-E84 HydrophobicContact CD1-CB 4.1Å; I7-E84 HydrophobicContact CG1-CB 4.45Å; I7-E84 HydrophobicContact CG2-CB 4.16Å; K11-E84 HydrophobicContact CD-CG 3.74Å; K11-E84 IonicContact NZ-OE1 2.6Å; K11-E84 PolarHBondContact NZ-OE1 2.95Å; K11-E84 IonicContact NZ-OE2 2.8Å; K11-E84 PolarHBondContact NZ-OE2 2.85Å; K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 2.84Å; L81-E84 PolarHBondContact O-N 3Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 2.72Å; E84-K87 PolarHBondContact O-N 3.28Å; E84-K87 IonicContact OE1-NZ 2.56Å; E84-K87 PolarHBondContact OE1-NZ 3.45Å; E84-V88 PolarHBondContact O-N 3.35Å
85K94.4Very high87.8Confident33 Ų3382 Ų8214%0.14340%0.395CS..Hα-helixtrans-56.5-46.2172.1-172.3-169.8177.7-173.90111.2Y4 L61 D62 L81 K82 V88 Q89Y4-K85 HydrophobicContact CE1-CG 4.22Å; L61-K85 HydrophobicContact CD2-CB 3.87Å; L61-K85 HydrophobicContact CD2-CG 4.01Å; D62-K85 VanDerWaalsContact OD1-CE 3.25Å; D62-K85 WeakPolarHBondContact OD1-CE 3.34Å; D62-K85 IonicContact OD1-NZ 2.58Å; D62-K85 PolarHBondContact OD1-NZ 3.07Å; D62-K85 IonicContact OD2-NZ 2.93Å; D62-K85 PolarHBondContact OD2-NZ 3.21Å; L81-K85 WeakPolarHBondContact O-CB 3.4Å; L81-K85 PolarHBondContact O-N 3.45Å; K82-K85 WeakPolarHBondContact O-CB 3.49Å; K82-K85 PolarHBondContact O-N 3.37Å; K85-V88 PolarHBondContact O-N 3.25Å; K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.38Å
86A94.6Very high85.6Confident41 Ų4181.5 Ų81.534%0.33941%0.406SS..Hα-helixtrans-64.4-41179.100000112K82 T83 E84 V88 Q89 K90K82-A86 PolarHBondContact O-N 3.41Å; T83-A86 PolarHBondContact O-N 3.37Å; E84-A86 VanDerWaalsContact C-N 3.31Å; E84-A86 PolarHBondContact O-N 2.72Å; A86-V88 VanDerWaalsContact C-N 3.35Å; A86-V88 PolarHBondContact O-N 3.29Å; A86-Q89 PolarHBondContact O-N 3.39Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 3.41Å
87K93.4Very high83.6Confident103 Ų10385.1 Ų85.145%0.44842%0.416SS..Hα-helixtrans-58.3-45.2175.3-70.8175-175.3171.70111.9T83 E84 K90 K91T83-K87 WeakPolarHBondContact O-CG 3.42Å; T83-K87 PolarHBondContact O-N 3.42Å; E84-K87 PolarHBondContact O-N 3.28Å; E84-K87 IonicContact OE1-NZ 2.56Å; E84-K87 PolarHBondContact OE1-NZ 3.45Å; K87-K90 PolarHBondContact O-N 3.02Å; K87-K91 WeakPolarHBondContact O-CG 3.41Å; K87-K91 PolarHBondContact O-N 3.25Å; K87-K91 VanDerWaalsContact O-N 3.14Å
88V91.9Very high81.3Confident15 Ų1589.9 Ų89.99%0.09145%0.446CS..Hα-helixtrans-66.1-39.8178.2174.80000111.8E3 Y4 I7 E84 K85 A86 K91 K92E3-V88 HydrophobicContact CB-CG1 4.25Å; E3-V88 VanDerWaalsContact OE2-CG1 3.24Å; E3-V88 WeakPolarHBondContact OE2-CG1 2.96Å; Y4-V88 HydrophobicContact CD1-CG1 4.24Å; Y4-V88 HydrophobicContact CE1-CB 3.81Å; Y4-V88 HydrophobicContact CE1-CG1 3.55Å; Y4-V88 HydrophobicContact CE2-CG1 4.11Å; Y4-V88 VanDerWaalsContact CZ-CG1 3.46Å; I7-V88 HydrophobicContact CD1-CB 4.5Å; I7-V88 HydrophobicContact CD1-CG2 3.48Å; I7-V88 VanDerWaalsContact CD1-CG2 3.48Å; E84-V88 PolarHBondContact O-N 3.35Å; K85-V88 PolarHBondContact O-N 3.25Å; A86-V88 VanDerWaalsContact C-N 3.35Å; A86-V88 PolarHBondContact O-N 3.29Å; V88-K91 PolarHBondContact O-N 2.83Å; V88-K92 HydrophobicContact CG1-CD 4.42Å; V88-K92 PolarHBondContact O-N 3.15Å
89Q88.6Confident78.8Confident76 Ų7694.6 Ų94.636%0.35549%0.485SS..Hα-helixtrans-63.4-45.4176.7-74-173.182.900112.2Y4 K85 A86 K91 K92 Q93Y4-Q89 WeakPolarHBondContact OH-CG 3.42Å; K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.38Å; A86-Q89 PolarHBondContact O-N 3.39Å; Q89-K91 VanDerWaalsContact C-N 3.33Å; Q89-K91 PolarHBondContact O-N 2.76Å; Q89-K92 PolarHBondContact O-N 2.81Å; Q89-K92 VanDerWaalsContact O-N 3.16Å; Q89-Q93 PolarHBondContact O-N 2.79Å
90K89Confident76.5Confident155 Ų15595.2 Ų95.267%0.67450%0.498SS*.Hα-helixtrans-59.6-41.2176.9-72.2-177.9178.7-173.60112.4A86 K87 K92 Q93 G94A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 3.41Å; K87-K90 PolarHBondContact O-N 3.02Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 3.34Å; K90-Q93 PolarHBondContact O-N 3.29Å; K90-G94 PolarHBondContact O-N 2.86Å
91K80.9Confident74.3Confident155 Ų15599 Ų9967%0.67451%0.514SS*.Hα-helixtrans-61-38.6176.5-74.4-178.8177.7-171.50112.5K87 V88 Q89 K95K87-K91 WeakPolarHBondContact O-CG 3.41Å; K87-K91 PolarHBondContact O-N 3.25Å; K87-K91 VanDerWaalsContact O-N 3.14Å; V88-K91 PolarHBondContact O-N 2.83Å; Q89-K91 VanDerWaalsContact C-N 3.33Å; Q89-K91 PolarHBondContact O-N 2.76Å; K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 2.9Å
92K74.8Confident71.9Confident83 Ų83108.9 Ų108.936%0.36156%0.558SS.*Hα-helixtrans-70.4-36.8177.1-70.3177-179166.20112.4E3 V88 Q89 K90E3-K92 WeakPolarHBondContact OE2-CE 3.28Å; E3-K92 IonicContact OE2-NZ 3.09Å; E3-K92 PolarHBondContact OE2-NZ 3.34Å; E3-K92 VanDerWaalsContact OE2-NZ 3.09Å; V88-K92 HydrophobicContact CG1-CD 4.42Å; V88-K92 PolarHBondContact O-N 3.15Å; Q89-K92 PolarHBondContact O-N 2.81Å; Q89-K92 VanDerWaalsContact O-N 3.16Å; K90-K92 VanDerWaalsContact C-N 3.31Å; K90-K92 PolarHBondContact O-N 3.34Å
93Q62Low69.4Low149 Ų149114.1 Ų114.170%0.69658%0.58SS**Hα-helixtrans-75.4-36.6-179.9-150.3173.917.600112.6Q89 K90 C96Q89-Q93 PolarHBondContact O-N 2.79Å; K90-Q93 PolarHBondContact O-N 3.29Å; Q93-C96 PolarHBondContact O-N 3.18Å
94G56.8Low66.9Low45 Ų45114 Ų11446%0.46460%0.595SS.*Hα-helixtrans-69.6-30.1175.800000113.7K90 C96 K97K90-G94 PolarHBondContact O-N 2.86Å; G94-C96 PolarHBondContact O-N 2.96Å; G94-K97 PolarHBondContact O-N 3.34Å
95K51.4Low64.6Low186 Ų186121.6 Ų121.681%0.80963%0.63SS**THydrogen-bonded Turntrans-72.5-13.5178-144.1170.3-175.7-178.30113.5K91K91-K95 WeakPolarHBondContact O-CB 3.46Å; K91-K95 PolarHBondContact O-N 2.9Å
96C50.7Low62Low113 Ų113127.1 Ų127.176%0.76466%0.661SS**THydrogen-bonded Turntrans-86.70.9172-660000113.9Q93 G94Q93-C96 PolarHBondContact O-N 3.18Å; G94-C96 PolarHBondContact O-N 2.96Å
97K55Low59.7Low184 Ų184132.3 Ų132.380%0.868%0.678SS**SBendtrans-107.510.7-175.8-87-167.4164.8-169.90116.1G94G94-K97 PolarHBondContact O-N 3.34Å
98T47Very low57.1Low120 Ų120134.6 Ų134.674%0.73670%0.695SS**  trans-122.580.8173.9-48.60000111.3V100T98-V100 HydrophobicContact CG2-CG2 4.31Å
99A44.8Very low54.4Low101 Ų101139.4 Ų139.484%0.83573%0.729SS**  trans-125.1114.7142.300000106.1
100V48.5Very low52Low126 Ų126140.7 Ų140.776%0.76475%0.747SS**  trans-83.5115.7-171.2168.20000111T98T98-V100 HydrophobicContact CG2-CG2 4.31Å
101K49.6Very low49.9Very low188 Ų188138.6 Ų138.682%0.81775%0.751SS**  48.6118.9122.7-139.1178.5-171.1-179.40121.1
102K46.7Very low47.9Very low208 Ų208139.6 Ų139.690%0.90476%0.758SS**  172.4135.6120.3-92.3174.2-177.2179.70107
103K45.3Very low46.6Very low212 Ų212140.1 Ų140.192%0.92277%0.772SS**  cis-166.2124.734.9-171.4-178.9-176.6-171.10106.2
104G44.2Very low45.5Very low74 Ų74139.8 Ų139.876%0.76378%0.775SS**  161.4140.1104.100000109.5
105Q48Very low44.8Very low187 Ų187147.5 Ų147.587%0.87480%0.796SS**  trans-74.9151.2177.4-72.8179.7-94.600111.4
106D38.1Very low44.2Very low148 Ų148145.2 Ų145.279%0.79179%0.791SS**  trans144.7141.1144.7-89.5-44.3000105.9
107E46.8Very low44.2Very low150 Ų150147 Ų14770%0.70179%0.793SS**  cis-172.1140.9-2.1169.1178.6130.100100.7
108L39Very low44Very low151 Ų151147.4 Ų147.479%0.79180%0.795SS**  trans41.8122.6162.5-57.2169.5000119.7
109S36.1Very low43.9Very low116 Ų116148.7 Ų148.781%0.81179%0.792SS**  156.6139.4108.6-166.30000113.1
110S38.2Very low44Very low104 Ų104149.5 Ų149.573%0.72779%0.792SS**  trans-12.4142.8158.2-155.50000119.6
111S45.2Very low43.8Very low111 Ų111151.8 Ų151.878%0.77679%0.788SS**  trans-10.7130.9159.7-59.40000118.4
112E38.5Very low43.4Very low175 Ų175152 Ų15282%0.81879%0.789SS**  -158.4132126.1-151.2160.299.400112
113S46.8Very low43Very low94 Ų94146.5 Ų146.566%0.65778%0.777SS**  trans-69.7130.6170.250.70000111.3
114L38Very low43.1Very low142 Ų142143.2 Ų143.274%0.74377%0.774SS**  trans-142.5103153.7-71.2178.2000110.9I116L114-I116 PolarHBondContact O-N 3.13Å
115F42.3Very low43Very low207 Ų207145.9 Ų145.991%0.90878%0.778SS**  trans-60.3121.7154.2-78.7-98.2000107.9
116I38.7Very low42.6Very low138 Ų138142 Ų14271%0.70877%0.772SS**  trans-110.497.8162.2-56.4-172.7000107.7L114 K118L114-I116 PolarHBondContact O-N 3.13Å; I116-K118 HydrophobicContact CG2-CG 4.33Å; I116-K118 PolarHBondContact O-N 3.25Å
117N50.8Low42.9Very low150 Ų150139.7 Ų139.780%0.80277%0.767SS**  trans-65.6120.3160.6-127.1-21.8000107.1
118K51.6Low42.7Very low194 Ų194142.2 Ų142.284%0.84378%0.776SS**  trans-99.989163.5-80.3-170.7177.9178.50108.4I116I116-K118 HydrophobicContact CG2-CG 4.33Å; I116-K118 PolarHBondContact O-N 3.25Å
119E45.7Very low42.9Very low146 Ų146145 Ų14568%0.68278%0.781SS**  trans-85.8122.8157.9-159.6179.8150.200107.1Y121E119-Y121 HydrophobicContact CB-CE1 4.4Å; E119-Y121 HydrophobicContact CG-CD1 3.8Å; E119-Y121 HydrophobicContact CG-CE1 4.01Å; E119-Y121 WeakPolarHBondContact OE1-CD1 3.4Å
120S45.3Very low43.2Very low119 Ų119149.6 Ų149.683%0.83279%0.787SS**  trans-128.191.8168.7-176.40000108.1
121Y45.8Very low43.4Very low174 Ų174155.2 Ų155.268%0.68279%0.792SS**  trans-80.2128156.542.8-91.6000108.1E119E119-Y121 HydrophobicContact CB-CE1 4.4Å; E119-Y121 HydrophobicContact CG-CD1 3.8Å; E119-Y121 HydrophobicContact CG-CE1 4.01Å; E119-Y121 WeakPolarHBondContact OE1-CD1 3.4Å
122K40Very low43.1Very low191 Ų191158.4 Ų158.483%0.8379%0.792SS**  trans-160.1101142.7-122.9-175.1-179.7-174.80111.4
123S38.6Very low43.1Very low94 Ų94157.7 Ų157.766%0.65779%0.789SS**  trans32.7119135.962.70000120
124V48.4Very low43Very low142 Ų142159.8 Ų159.886%0.86179%0.791SS**  trans-33.1153141.3-84.60000114.7
125P41.4Very low42.9Very low131 Ų131159.3 Ų159.385%0.85179%0.794SS**  -128.9168.5116.836.6-27.7000113.8
126S39.3Very low42.8Very low105 Ų105157.5 Ų157.573%0.73479%0.786SS**  trans-95.5157-156178.90000114.6
127S45.4Very low42.8Very low99 Ų99157.7 Ų157.769%0.69279%0.794SS**  trans75.5118.5148-62.90000121.2
128K42Very low42.2Very low204 Ų204159.1 Ų159.189%0.88780%0.796SS**  178.7106.8113.2-92.5163-172.4177.60112.8
129K42.8Very low41.3Very low208 Ų208153.6 Ų153.690%0.90479%0.793SS**  trans26.4112134-167.4177.1-173.11770118.5
130K42.9Very low40.8Very low213 Ų213149.9 Ų149.993%0.92679%0.794SS**  -154.4140.7128.2-141.7171.6-178.5179.10112.4
131R41.8Very low40.7Very low222 Ų222154.4 Ų154.484%0.83880%0.799SS**  trans-91.1165.1-172.8-179.1-175.9-168.91594110.3
132K39.9Very low40.8Very low179 Ų179155.6 Ų155.678%0.77881%0.808SS**  trans98.2137.1166-56.8-175.2177.6-168.50112.9
133E38.3Very low41.2Very low160 Ų160156.4 Ų156.475%0.74881%0.811SS**  cis-157.6152.613.4-159.7158119.100110.1
134I44.9Very low41.3Very low138 Ų138161.7 Ų161.771%0.70882%0.823SS**  trans-81.8119.5167.935.2161.2000109.1K136I134-K136 PolarHBondContact O-N 3.31Å
135T35.2Very low41Very low132 Ų132162.6 Ų162.681%0.8182%0.822SS**  trans-90.698.7165.3-39.10000108.9
136K39.8Very low40.6Very low168 Ų168162 Ų16273%0.7382%0.816SS**  trans-75.4135.6153.9-68.3-173173.6-170.60107.8I134I134-K136 PolarHBondContact O-N 3.31Å
137T39.9Very low40.6Very low142 Ų142164 Ų16487%0.87181%0.813SS**  trans-128.2102.415217.80000107
138E37.4Very low40.1Very low181 Ų181166.1 Ų166.185%0.84681%0.812SS**  trans-105.2142.5168.4179.4-174.9130.200108
139G32.3Very low40Very low77 Ų77163.9 Ų163.979%0.79481%0.805SS**  trans98.5115.8158.100000113.5
140G35.8Very low40.2Very low68 Ų68157.9 Ų157.970%0.70179%0.794SS**  cis157.8150.7700000107.6
141K42.8Very low40.3Very low215 Ų215156.4 Ų156.494%0.93579%0.791SS**  trans-170.8114.7143.4-105163.2-172.6-177.80110
142K49.2Very low40.4Very low199 Ų199151.6 Ų151.687%0.86578%0.781SS**  trans-55.9144.6167.1-58174.3175.5179.30109.9
143K47.2Very low40.5Very low207 Ų207149 Ų14990%0.978%0.782SS**  trans-175.1126.9132.2-97.8160.2-171.3-1660112.3
144K41.8Very low40.8Very low206 Ų206148.3 Ų148.390%0.89678%0.779SS**  trans69.799.2156.5-76.4-166.6169.1-165.70121.5
145L40.2Very low40.9Very low161 Ų161147.7 Ų147.784%0.84378%0.784SS**  trans-65.4170.4134.1-160.8100.5000110.5
146T34.8Very low41.4Very low118 Ų118149.1 Ų149.172%0.72479%0.786SS**  trans97126.4173.4-460000111.6
147Q37.6Very low41.3Very low147 Ų147143.9 Ų143.969%0.68778%0.779SS**  cis-179.5168.63.6160.6-178.8-25.900106.7
148E36.4Very low41.2Very low143 Ų143143.3 Ų143.367%0.66878%0.776SS**  trans76.3137.6161-104.5167.98400117.3
149Q39.8Very low41.5Very low158 Ų158141.4 Ų141.474%0.73877%0.771SS**  cis-155143.76.4-161.6175.312.700107.8
150A47.4Very low42.3Very low81 Ų81144 Ų14467%0.66977%0.765SS**  trans-60149.8169.700000111.7
151Q43.4Very low43Very low183 Ų183150 Ų15086%0.85577%0.773SS**  trans-149.885.8135.9-111.1174.661.300109.9
152L44.2Very low43.3Very low121 Ų121148.8 Ų148.863%0.63477%0.767SS**  trans-54.6133.6144-176.382.2000108.4E154L152-E154 HydrophobicContact CD2-CB 4.1Å; L152-E154 HydrophobicContact CD2-CG 3.73Å; L152-E154 PolarHBondContact O-N 2.85Å
153P43.3Very low42.9Very low124 Ų124145.2 Ų145.281%0.80576%0.757SS**  trans-77.298.6153.2-9.326.2000107.1
154E43.1Very low42.7Very low145 Ų145143 Ų14368%0.67875%0.751SS**  trans-72.6132.2165.7-132.5168.2-143.200108.3L152 L156L152-E154 HydrophobicContact CD2-CB 4.1Å; L152-E154 HydrophobicContact CD2-CG 3.73Å; L152-E154 PolarHBondContact O-N 2.85Å; E154-L156 PolarHBondContact O-N 3.37Å
155P47.4Very low42.4Very low125 Ų125139 Ų13981%0.81274%0.739SS**  trans-77.7113.4167.129.6-28.3000108.6
156L45.5Very low42.6Very low163 Ų163135.5 Ų135.585%0.85373%0.727SS**  trans-80.2121.7170.2-86.9165.1000110.3E154E154-L156 PolarHBondContact O-N 3.37Å
157G37.8Very low43.3Very low57 Ų57138 Ų13859%0.58874%0.735SS**  trans-59.2163159.700000111
158T38.9Very low43.7Very low130 Ų130140.4 Ų140.480%0.79875%0.746SS**  -172.1132.468.6-37.90000107
159D42.6Very low44.7Very low142 Ų142139.4 Ų139.476%0.75975%0.75SS**  -161.2138.4121.1-169.7-130.7000110.7
160I50Low45.3Very low130 Ų130137.5 Ų137.567%0.66775%0.751SS**  trans-79.7128.4-170.6-64.2148.6000109.3
161K48.8Very low46.1Very low196 Ų196139.9 Ų139.985%0.85276%0.76SS**  trans-145.4130.7138-65.2-157-178.2-163.40111.3
162K49.1Very low47.4Very low188 Ų188140.5 Ų140.582%0.81776%0.759SS**  trans-45.7152.1165.6-69177172.2179.30110.3
163D41.3Very low48.5Very low124 Ų124139.9 Ų139.966%0.66376%0.763SS**  178.5152.273.2-155.9-138000108.8
164E42.5Very low49.7Very low162 Ų162139.4 Ų139.476%0.75776%0.76SS**  trans35.5145.3148.6-71.4-149.4114.900120.7
165D36.8Very low50.6Low122 Ų122138.4 Ų138.465%0.65277%0.766SS**  cis178.1154.83.1169.4-116.8000104
166C44.4Very low51.6Low87 Ų87138.7 Ų138.759%0.58877%0.765SS**  trans43.9115.8159.9-73.30000122.9Q168C166-Q168 PolarHBondContact O-N 3.44Å
167L49.5Very low52.7Low170 Ų170136.1 Ų136.189%0.8976%0.758SS**  7.2104.5128.5-55.9175.4000116.3T169L167-T169 PolarHBondContact O-N 3.36Å
168Q45.7Very low53.9Low198 Ų198139.3 Ų139.393%0.92577%0.769SS**  trans-88107.9166.8-80.7-172.93100111.9C166C166-Q168 PolarHBondContact O-N 3.44Å
169T56.8Low54.6Low122 Ų122138.9 Ų138.975%0.74877%0.771SS**PPolyproline II helixtrans-50.3156158.128.60000113.8L167L167-T169 PolarHBondContact O-N 3.36Å
170P53.6Low55.4Low117 Ų117137.4 Ų137.476%0.7677%0.772SS**PPolyproline II helixtrans-67.8147.6176.6-9.925.3000112
171P64.1Low55.8Low131 Ų131136.1 Ų136.185%0.85177%0.774SS**PPolyproline II helixtrans-68138.3-178.527-32.5000112.1
172K70.6Confident56.5Low196 Ų196134.8 Ų134.885%0.85278%0.776SS**PPolyproline II helixtrans-76.6144.9177.6-158.9171.8-173.5170.30110.3
173P66.6Low56.9Low108 Ų108133.4 Ų133.470%0.70178%0.778SS**PPolyproline II helixtrans-70.2156.4175.128.3-33.3000112
174P69.7Low57.3Low114 Ų114140.6 Ų140.674%0.7480%0.803SS**PPolyproline II helixtrans-68.3153.7-178.327.8-34000112.5
175P62Low58.1Low125 Ų125139.5 Ų139.581%0.81281%0.805SS**PPolyproline II helixtrans-71.4135.9179.928.4-31.5000111.6
176T68.1Low59.2Low130 Ų130140.4 Ų140.480%0.79881%0.813SS**PPolyproline II helixtrans-68.3139.7172.4-39.70000110.4
177P68.4Low60Low109 Ų109143.4 Ų143.471%0.70883%0.825SS**PPolyproline II helixtrans-68.6151.7172.927.6-33.5000111.7
178P61.7Low60.6Low125 Ų125141.8 Ų141.881%0.81282%0.822SS**PPolyproline II helixtrans-71.3135.5-179.329.4-32.2000110.9S180P178-S180 PolarHBondContact O-N 3.4Å
179S54.7Low61.6Low120 Ų120138.3 Ų138.384%0.83982%0.815SS**  trans-68.3115.8169.4-176.90000109.3S181S179-S181 PolarHBondContact O-N 3.35Å
180S59.8Low61.9Low112 Ų112139.4 Ų139.478%0.78382%0.82SS**  trans-82.8102.2164.161.10000108.7P178P178-S180 PolarHBondContact O-N 3.4Å
181S58.7Low62.5Low102 Ų102141 Ų14171%0.71382%0.824SS**  trans-74.9116.7158.761.60000108.4S179S179-S181 PolarHBondContact O-N 3.35Å
182L61.6Low62.3Low169 Ų169141.8 Ų141.889%0.88582%0.822SS**  trans-11999.4163.4-15978.1000108
183N58.1Low61.7Low159 Ų159137.3 Ų137.385%0.8582%0.819SS**  trans-96117161.7-70.9-22.3000107.1
184K50.6Low61.2Low274 Ų274139.9 Ų139.9100%1.19183%0.83SS**  -177.80127.9-167162.2-177.2-73.80110.7

Retrieved 184 of 184 residues in 991.7 ms (Link to these results)

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