A0A3Q0KU71_SCHMA Loading...

CKK domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU71, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,353 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
1M28.2Very low30Very low75 Ų7538.6 Ų38.637%0.36919%0.188SC..  0166.50-48.275.4-170.600108.7K3 E4 K5 F51 E52 A55M1-K3 PolarHBondContact O-N 3.25Å; M1-E4 CarbonylContact O-C 3.49Å; M1-E4 WeakPolarHBondContact O-CA 3.46Å; M1-E4 PolarHBondContact O-N 2.78Å; M1-K5 PolarHBondContact O-N 2.92Å; M1-F51 WeakPolarHBondContact CA-O 3.28Å; M1-F51 VanDerWaalsContact CB-O 3.25Å; M1-F51 WeakPolarHBondContact CB-O 3.46Å; M1-F51 HydrophobicContact CE-CD1 4.29Å; M1-F51 HydrophobicContact CE-CE1 3.79Å; M1-F51 HydrophobicContact CG-CD1 3.79Å; M1-F51 HydrophobicContact CG-CE1 3.47Å; M1-F51 VanDerWaalsContact CG-CE1 3.47Å; M1-F51 HydrophobicContact CG-CZ 4.11Å; M1-F51 WeakPolarHBondContact CG-O 3.31Å; M1-F51 HydrophobicContact SD-CE1 4.48Å; M1-E52 CarbonylContact C-O 3.49Å; M1-E52 WeakPolarHBondContact CA-O 3.39Å; M1-E52 VanDerWaalsContact N-CA 3.34Å; M1-E52 PolarHBondContact N-O 3.46Å; M1-A55 HydrophobicContact CB-CB 3.4Å; M1-A55 HydrophobicContact CG-CB 3.99Å
2L27.6Very low30.9Very low0 Ų044.8 Ų44.80%021%0.208CC..G310 helixtrans-48.4-32.2177.4-123.952.4000108.2E4 K5 T6 S7 L53 Y54 A55 V57 I159L2-E4 PolarHBondContact O-N 3.39Å; L2-E4 VanDerWaalsContact O-N 3.1Å; L2-K5 PolarHBondContact O-N 2.84Å; L2-T6 WeakPolarHBondContact CA-OG1 3.41Å; L2-T6 WeakPolarHBondContact CB-OG1 3.44Å; L2-T6 HydrophobicContact CD1-CG2 3.97Å; L2-T6 WeakPolarHBondContact CD1-OG1 3.43Å; L2-T6 VanDerWaalsContact CG-CB 3.44Å; L2-T6 HydrophobicContact CG-CG2 3.88Å; L2-T6 WeakPolarHBondContact CG-OG1 3.2Å; L2-T6 CarbonylContact O-C 2.85Å; L2-T6 VanDerWaalsContact O-C 3.25Å; L2-T6 WeakPolarHBondContact O-CA 3.46Å; L2-T6 VanDerWaalsContact O-CB 3.3Å; L2-T6 WeakPolarHBondContact O-CB 3.34Å; L2-T6 PolarHBondContact O-N 3.13Å; L2-S7 PolarHBondContact O-N 3.47Å; L2-L53 WeakPolarHBondContact CA-O 3.4Å; L2-L53 WeakPolarHBondContact CB-O 3.44Å; L2-L53 HydrophobicContact CD1-CD2 4.41Å; L2-L53 WeakPolarHBondContact CD1-O 3.4Å; L2-L53 WeakPolarHBondContact CG-O 3.19Å; L2-L53 PolarHBondContact N-O 3.48Å; L2-Y54 VanDerWaalsContact CB-C 3.46Å; L2-Y54 HydrophobicContact CD1-CD1 4.14Å; L2-Y54 HydrophobicContact CD1-CE1 4.06Å; L2-Y54 HydrophobicContact CD2-CD1 3.68Å; L2-Y54 HydrophobicContact CD2-CE1 3.99Å; L2-Y54 HydrophobicContact CD2-CG 4.45Å; L2-Y54 WeakPolarHBondContact CD2-O 3.46Å; L2-A55 VanDerWaalsContact N-N 3.19Å; L2-V57 HydrophobicContact CD2-CB 3.8Å; L2-V57 HydrophobicContact CD2-CG1 3.39Å; L2-V57 HydrophobicContact CD2-CG2 3.65Å; L2-V57 HydrophobicContact CG-CG2 4.16Å; L2-I159 HydrophobicContact CD1-CD1 3.77Å; L2-I159 HydrophobicContact CD1-CG1 3.88Å
3K26.7Very low30.8Very low54 Ų5442.6 Ų42.624%0.23520%0.198CC..G310 helixtrans-49.7-34.7171.8-86.6164.2179.9131.90114.5M1 S7 A55 G56 H58 R59M1-K3 PolarHBondContact O-N 3.25Å; K3-S7 WeakPolarHBondContact O-CB 3.37Å; K3-A55 HydrophobicContact CD-CB 4.23Å; K3-A55 WeakPolarHBondContact CD-O 3.03Å; K3-A55 WeakPolarHBondContact CE-O 3.44Å; K3-A55 WeakPolarHBondContact CG-O 3.33Å; K3-A55 PolarHBondContact NZ-O 2.92Å; K3-G56 VanDerWaalsContact N-CA 3.32Å; K3-H58 VanDerWaalsContact CE-O 3.3Å; K3-H58 WeakPolarHBondContact CE-O 3.35Å; K3-H58 PolarHBondContact NZ-O 3.47Å; K3-R59 HydrophobicContact CG-CB 4.32Å
4E27.3Very low30.8Very low89 Ų8941.3 Ų41.342%0.41620%0.196SC..G310 helixtrans-140.131176.3-69.6-179.713500112.7M1 L2 F8 K16M1-E4 CarbonylContact O-C 3.49Å; M1-E4 WeakPolarHBondContact O-CA 3.46Å; M1-E4 PolarHBondContact O-N 2.78Å; L2-E4 PolarHBondContact O-N 3.39Å; L2-E4 VanDerWaalsContact O-N 3.1Å; E4-F8 HydrophobicContact CB-CB 4.27Å; E4-F8 WeakPolarHBondContact O-CA 3.47Å; E4-F8 VanDerWaalsContact O-CB 3.23Å; E4-F8 WeakPolarHBondContact O-CB 3.36Å; E4-F8 WeakPolarHBondContact O-CD1 3.33Å; E4-F8 WeakPolarHBondContact O-CG 3.49Å; E4-K16 VanDerWaalsContact OE1-CD 3.32Å; E4-K16 WeakPolarHBondContact OE1-CD 3.37Å; E4-K16 IonicContact OE1-NZ 2.71Å; E4-K16 PolarHBondContact OE1-NZ 3.07Å
5K28.7Very low30.6Very low22 Ų2239.8 Ų39.810%0.09619%0.189CC..THydrogen-bonded Turntrans-145.88.3166.5-108.4154.3176.2179.40111.1M1 L2 F8 L9 G47 L48 E52 L53M1-K5 PolarHBondContact O-N 2.92Å; L2-K5 PolarHBondContact O-N 2.84Å; K5-F8 HydrophobicContact CG-CD1 4.17Å; K5-F8 VanDerWaalsContact N-N 3.16Å; K5-L9 HydrophobicContact CG-CD1 4.41Å; K5-L9 VanDerWaalsContact O-CB 3.27Å; K5-L9 WeakPolarHBondContact O-CB 3.47Å; K5-L9 WeakPolarHBondContact O-CD1 3.36Å; K5-L9 PolarHBondContact O-N 2.76Å; K5-G47 PolarHBondContact NZ-O 3.2Å; K5-L48 HydrophobicContact CD-CD2 3.6Å; K5-L48 HydrophobicContact CD-CG 4.15Å; K5-L48 HydrophobicContact CG-CD2 3.76Å; K5-E52 WeakPolarHBondContact CB-O 3.46Å; K5-E52 HydrophobicContact CD-CB 4.15Å; K5-E52 WeakPolarHBondContact CD-O 3.47Å; K5-E52 IonicContact NZ-OE2 3.57Å; K5-E52 PolarHBondContact NZ-OE2 2.97Å; K5-L53 HydrophobicContact CB-CD2 4.17Å; K5-L53 WeakPolarHBondContact O-CD2 3.46Å
6T33Very low30.9Very low5 Ų543 Ų433%0.03120%0.202CC..THydrogen-bonded Turntrans-146.6-18.2167.7-43.40000112.9L2 F8 F10 I159L2-T6 WeakPolarHBondContact CA-OG1 3.41Å; L2-T6 WeakPolarHBondContact CB-OG1 3.44Å; L2-T6 HydrophobicContact CD1-CG2 3.97Å; L2-T6 WeakPolarHBondContact CD1-OG1 3.43Å; L2-T6 VanDerWaalsContact CG-CB 3.44Å; L2-T6 HydrophobicContact CG-CG2 3.88Å; L2-T6 WeakPolarHBondContact CG-OG1 3.2Å; L2-T6 CarbonylContact O-C 2.85Å; L2-T6 VanDerWaalsContact O-C 3.25Å; L2-T6 WeakPolarHBondContact O-CA 3.46Å; L2-T6 VanDerWaalsContact O-CB 3.3Å; L2-T6 WeakPolarHBondContact O-CB 3.34Å; L2-T6 PolarHBondContact O-N 3.13Å; T6-F8 VanDerWaalsContact N-N 3.16Å; T6-F10 HydrophobicContact CG2-CD2 4.03Å; T6-F10 HydrophobicContact CG2-CE2 3.59Å; T6-F10 HydrophobicContact CG2-CZ 3.89Å; T6-F10 WeakPolarHBondContact O-CA 3.42Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 WeakPolarHBondContact O-CD1 3.43Å; T6-F10 WeakPolarHBondContact O-CD2 3.37Å; T6-F10 WeakPolarHBondContact O-CG 3.45Å; T6-F10 PolarHBondContact O-N 2.89Å; T6-I159 HydrophobicContact CG2-CD1 3.76Å; T6-I159 HydrophobicContact CG2-CG1 4.35Å; T6-I159 HydrophobicContact CG2-CG2 4.19Å
7S29.9Very low30.7Very low29 Ų2946.4 Ų46.420%0.20323%0.226CC..SBendtrans-95.1-1.4134.7-166.80000112L2 K3 F10 S14L2-S7 PolarHBondContact O-N 3.47Å; K3-S7 WeakPolarHBondContact O-CB 3.37Å; S7-F10 CarbonylContact C-O 3.45Å; S7-F10 WeakPolarHBondContact CA-O 3.41Å; S7-F10 PolarHBondContact OG-O 3.41Å; S7-S14 PolarHBondContact O-OG 3.4Å
8F29.2Very low30.4Very low31 Ų3152.3 Ų52.314%0.13626%0.258CS..SBendtrans-62.4-82.3149.4153.8-20.7000106E4 K5 T6 F10 K11 W12 L13 S14 K16E4-F8 HydrophobicContact CB-CB 4.27Å; E4-F8 WeakPolarHBondContact O-CA 3.47Å; E4-F8 VanDerWaalsContact O-CB 3.23Å; E4-F8 WeakPolarHBondContact O-CB 3.36Å; E4-F8 WeakPolarHBondContact O-CD1 3.33Å; E4-F8 WeakPolarHBondContact O-CG 3.49Å; K5-F8 HydrophobicContact CG-CD1 4.17Å; K5-F8 VanDerWaalsContact N-N 3.16Å; T6-F8 VanDerWaalsContact N-N 3.16Å; F8-F10 CarbonylContact O-C 3.55Å; F8-F10 PolarHBondContact O-N 3.03Å; F8-K11 WeakPolarHBondContact O-CA 3.31Å; F8-K11 PolarHBondContact O-N 3.03Å; F8-W12 HydrophobicContact CZ-CZ3 4.35Å; F8-W12 PolarHBondContact O-N 3.18Å; F8-L13 VanDerWaalsContact C-N 3.34Å; F8-L13 VanDerWaalsContact CB-C 3.45Å; F8-L13 VanDerWaalsContact CD1-CA 3.49Å; F8-L13 HydrophobicContact CD1-CB 3.47Å; F8-L13 VanDerWaalsContact CD1-CB 3.47Å; F8-L13 HydrophobicContact CD1-CD2 3.9Å; F8-L13 HydrophobicContact CD1-CG 3.4Å; F8-L13 VanDerWaalsContact CD1-CG 3.4Å; F8-L13 HydrophobicContact CD2-CB 4.02Å; F8-L13 WeakPolarHBondContact CD2-O 3.39Å; F8-L13 HydrophobicContact CE1-CB 3.48Å; F8-L13 VanDerWaalsContact CE1-CB 3.48Å; F8-L13 HydrophobicContact CE1-CD2 3.25Å; F8-L13 HydrophobicContact CE1-CG 3.33Å; F8-L13 HydrophobicContact CE2-CB 3.91Å; F8-L13 WeakPolarHBondContact CE2-O 3.47Å; F8-L13 HydrophobicContact CG-CB 3.76Å; F8-L13 HydrophobicContact CG-CG 4.19Å; F8-L13 WeakPolarHBondContact CG-O 3.15Å; F8-L13 HydrophobicContact CZ-CB 3.67Å; F8-L13 HydrophobicContact CZ-CD2 3.72Å; F8-L13 HydrophobicContact CZ-CG 3.98Å; F8-L13 CarbonylContact O-C 3.58Å; F8-L13 WeakPolarHBondContact O-CA 3.43Å; F8-L13 PolarHBondContact O-N 2.83Å; F8-S14 VanDerWaalsContact CB-N 3.27Å; F8-S14 PolarHBondContact O-N 3.43Å; F8-K16 HydrophobicContact CD2-CB 4.2Å; F8-K16 HydrophobicContact CE2-CB 4.38Å; F8-K16 WeakPolarHBondContact CE2-O 3.46Å
9L36.9Very low30.1Very low62 Ų6252.5 Ų52.533%0.32528%0.275SS..THydrogen-bonded Turntrans-59.5-22.9-179.9-88.366.1000116.4K5 L13K5-L9 HydrophobicContact CG-CD1 4.41Å; K5-L9 VanDerWaalsContact O-CB 3.27Å; K5-L9 WeakPolarHBondContact O-CB 3.47Å; K5-L9 WeakPolarHBondContact O-CD1 3.36Å; K5-L9 PolarHBondContact O-N 2.76Å; L9-L13 HydrophobicContact CD1-CD1 3.51Å; L9-L13 HydrophobicContact CD1-CG 4.1Å; L9-L13 HydrophobicContact CG-CD1 4.1Å
10F31.7Very low30Very low36 Ų3658.7 Ų58.716%0.15830%0.302CS..THydrogen-bonded Turntrans-95.1105.3155-49.3176.5000105.6T6 S7 F8 I159 L163 L328T6-F10 HydrophobicContact CG2-CD2 4.03Å; T6-F10 HydrophobicContact CG2-CE2 3.59Å; T6-F10 HydrophobicContact CG2-CZ 3.89Å; T6-F10 WeakPolarHBondContact O-CA 3.42Å; T6-F10 WeakPolarHBondContact O-CB 3.47Å; T6-F10 WeakPolarHBondContact O-CD1 3.43Å; T6-F10 WeakPolarHBondContact O-CD2 3.37Å; T6-F10 WeakPolarHBondContact O-CG 3.45Å; T6-F10 PolarHBondContact O-N 2.89Å; S7-F10 CarbonylContact C-O 3.45Å; S7-F10 WeakPolarHBondContact CA-O 3.41Å; S7-F10 PolarHBondContact OG-O 3.41Å; F8-F10 CarbonylContact O-C 3.55Å; F8-F10 PolarHBondContact O-N 3.03Å; F10-I159 HydrophobicContact CE2-CG2 4.12Å; F10-I159 HydrophobicContact CZ-CG2 3.86Å; F10-L163 HydrophobicContact CE1-CD1 4.27Å; F10-L163 HydrophobicContact CZ-CD1 3.9Å; F10-L328 HydrophobicContact CD1-CD2 4.3Å
11K31.3Very low29.7Very low22 Ų2262.8 Ų62.810%0.09632%0.324CS..THydrogen-bonded Turntrans147.8-86.8-160.270.5151.678.7177.40111.1F8 S14 F327 M329 D331F8-K11 WeakPolarHBondContact O-CA 3.31Å; F8-K11 PolarHBondContact O-N 3.03Å; K11-S14 VanDerWaalsContact CD-OG 3.28Å; K11-S14 WeakPolarHBondContact CD-OG 3.38Å; K11-S14 VanDerWaalsContact CG-OG 3.24Å; K11-S14 WeakPolarHBondContact CG-OG 3.43Å; K11-F327 WeakPolarHBondContact CE-O 3.09Å; K11-M329 WeakPolarHBondContact CE-O 3.48Å; K11-D331 VanDerWaalsContact CB-OD2 3.31Å; K11-D331 WeakPolarHBondContact CB-OD2 3.33Å; K11-D331 WeakPolarHBondContact CD-OD2 3.4Å; K11-D331 VanDerWaalsContact CE-OD1 3.32Å; K11-D331 WeakPolarHBondContact CE-OD1 3.32Å; K11-D331 WeakPolarHBondContact CE-OD2 3.24Å; K11-D331 IonicContact NZ-OD1 2.69Å; K11-D331 PolarHBondContact NZ-OD1 2.86Å; K11-D331 IonicContact NZ-OD2 2.65Å
12W40Very low29.6Very low113 Ų11368.3 Ų68.343%0.42835%0.346SS..THydrogen-bonded Turntrans-142.2-43.5164.6157.569000105.5F8 L15 L348F8-W12 HydrophobicContact CZ-CZ3 4.35Å; F8-W12 PolarHBondContact O-N 3.18Å; W12-L15 HydrophobicContact CB-CD2 3.79Å; W12-L15 HydrophobicContact CB-CG 3.71Å; W12-L15 HydrophobicContact CD2-CD2 3.83Å; W12-L15 HydrophobicContact CE3-CD2 4.07Å; W12-L15 HydrophobicContact CG-CD2 3.62Å; W12-L15 HydrophobicContact CG-CG 4.15Å; W12-L348 HydrophobicContact CB-CD2 4.26Å; W12-L348 VanDerWaalsContact CD1-CD2 3.45Å; W12-L348 HydrophobicContact CG-CD2 4.24Å
13L30.5Very low29.5Very low16 Ų1672.6 Ų72.68%0.08437%0.37CS..SBend50.653.9-50-7178.6000123.3F8 L9 L15 F44F8-L13 VanDerWaalsContact C-N 3.34Å; F8-L13 VanDerWaalsContact CB-C 3.45Å; F8-L13 VanDerWaalsContact CD1-CA 3.49Å; F8-L13 HydrophobicContact CD1-CB 3.47Å; F8-L13 VanDerWaalsContact CD1-CB 3.47Å; F8-L13 HydrophobicContact CD1-CD2 3.9Å; F8-L13 HydrophobicContact CD1-CG 3.4Å; F8-L13 VanDerWaalsContact CD1-CG 3.4Å; F8-L13 HydrophobicContact CD2-CB 4.02Å; F8-L13 WeakPolarHBondContact CD2-O 3.39Å; F8-L13 HydrophobicContact CE1-CB 3.48Å; F8-L13 VanDerWaalsContact CE1-CB 3.48Å; F8-L13 HydrophobicContact CE1-CD2 3.25Å; F8-L13 HydrophobicContact CE1-CG 3.33Å; F8-L13 HydrophobicContact CE2-CB 3.91Å; F8-L13 WeakPolarHBondContact CE2-O 3.47Å; F8-L13 HydrophobicContact CG-CB 3.76Å; F8-L13 HydrophobicContact CG-CG 4.19Å; F8-L13 WeakPolarHBondContact CG-O 3.15Å; F8-L13 HydrophobicContact CZ-CB 3.67Å; F8-L13 HydrophobicContact CZ-CD2 3.72Å; F8-L13 HydrophobicContact CZ-CG 3.98Å; F8-L13 CarbonylContact O-C 3.58Å; F8-L13 WeakPolarHBondContact O-CA 3.43Å; F8-L13 PolarHBondContact O-N 2.83Å; L9-L13 HydrophobicContact CD1-CD1 3.51Å; L9-L13 HydrophobicContact CD1-CG 4.1Å; L9-L13 HydrophobicContact CG-CD1 4.1Å; L13-L15 WeakPolarHBondContact O-CA 3.42Å; L13-L15 PolarHBondContact O-N 2.88Å; L13-F44 HydrophobicContact CD1-CZ 3.99Å; L13-F44 HydrophobicContact CD2-CE1 4.5Å; L13-F44 HydrophobicContact CD2-CE2 3.31Å; L13-F44 HydrophobicContact CD2-CZ 3.32Å; L13-F44 HydrophobicContact CG-CZ 4.22Å
14S29.9Very low29.8Very low24 Ų2474.4 Ų74.417%0.16839%0.387CS..THydrogen-bonded Turntrans25.90.8-176-89.80000122.3S7 F8 K11 K16S7-S14 PolarHBondContact O-OG 3.4Å; F8-S14 VanDerWaalsContact CB-N 3.27Å; F8-S14 PolarHBondContact O-N 3.43Å; K11-S14 VanDerWaalsContact CD-OG 3.28Å; K11-S14 WeakPolarHBondContact CD-OG 3.38Å; K11-S14 VanDerWaalsContact CG-OG 3.24Å; K11-S14 WeakPolarHBondContact CG-OG 3.43Å; S14-K16 PolarHBondContact O-N 3.09Å
15L28.7Very low29.5Very low19 Ų1977.3 Ų77.310%0.09940%0.398CS..THydrogen-bonded Turntrans4550.3-160.4-62.4170.4000112.2W12 L13 V17 I338 S345 N349W12-L15 HydrophobicContact CB-CD2 3.79Å; W12-L15 HydrophobicContact CB-CG 3.71Å; W12-L15 HydrophobicContact CD2-CD2 3.83Å; W12-L15 HydrophobicContact CE3-CD2 4.07Å; W12-L15 HydrophobicContact CG-CD2 3.62Å; W12-L15 HydrophobicContact CG-CG 4.15Å; L13-L15 WeakPolarHBondContact O-CA 3.42Å; L13-L15 PolarHBondContact O-N 2.88Å; L15-V17 WeakPolarHBondContact O-CB 3.41Å; L15-I338 HydrophobicContact CB-CD1 3.98Å; L15-I338 HydrophobicContact CD1-CD1 3.88Å; L15-S345 VanDerWaalsContact CD1-OG 3.26Å; L15-S345 WeakPolarHBondContact CD1-OG 3.27Å; L15-S345 WeakPolarHBondContact CD2-OG 2.98Å; L15-N349 HydrophobicContact CD1-CB 3.72Å; L15-N349 WeakPolarHBondContact CD1-ND2 3.42Å
16K34.8Very low29.3Very low91 Ų9183.9 Ų83.940%0.39643%0.427SS..  trans-13676.5-176.8-155.8-153.3-171-157.10111.8E4 F8 S14 L18E4-K16 VanDerWaalsContact OE1-CD 3.32Å; E4-K16 WeakPolarHBondContact OE1-CD 3.37Å; E4-K16 IonicContact OE1-NZ 2.71Å; E4-K16 PolarHBondContact OE1-NZ 3.07Å; F8-K16 HydrophobicContact CD2-CB 4.2Å; F8-K16 HydrophobicContact CE2-CB 4.38Å; F8-K16 WeakPolarHBondContact CE2-O 3.46Å; S14-K16 PolarHBondContact O-N 3.09Å; K16-L18 HydrophobicContact CG-CG 4.12Å
17V27.6Very low29Very low101 Ų10188.3 Ų88.361%0.61245%0.45SS*.  cis456642.2-177.90000109.6L15L15-V17 WeakPolarHBondContact O-CB 3.41Å
18L25.6Very low28.7Very low152 Ų15291.2 Ų91.280%0.79646%0.457SS*.SBendtrans-12158.7140.5-73.6-178.2000107.6K16K16-L18 HydrophobicContact CG-CG 4.12Å
19G24.9Very low28.7Very low56 Ų5692 Ų9258%0.57747%0.465SS*.SBendtrans86.7156.2-169.300000113.2
20Q26.5Very low28.3Very low176 Ų17690.1 Ų90.182%0.82246%0.455SS*.  cis-149.5134.9-8.5-74.8-169.8-1200110.1
21L25.5Very low28.3Very low146 Ų14691.6 Ų91.676%0.76446%0.464SS*.  trans65155157-52.8164.1000116.7
22F24.5Very low28.1Very low190 Ų19097.2 Ų97.283%0.83349%0.491SS*.  cis-145165-9.3-138.5-69.7000110
23N25.5Very low27.7Very low91 Ų9194.5 Ų94.549%0.48749%0.488SS..  trans-82.5-176.3176.2-152.2-5.2000113
24P32.8Very low27.7Very low92 Ų92102.3 Ų102.360%0.59753%0.53SS*.  -108.5147.4-99.535.8-23.2000115.8
25K22.8Very low27.8Very low150 Ų150106.5 Ų106.565%0.65255%0.547SS*.  trans-174.6115.7151.8-104.5154.2-74.71580113
26F24.5Very low27.8Very low159 Ų159107 Ų10770%0.69756%0.557SS**  trans74.5130.5146-68.2-49.8000123.7N41F26-N41 PolarHBondContact O-ND2 3.31Å
27L24.9Very low27.6Very low98 Ų98106 Ų10651%0.51356%0.555SS.*  trans82.7109.2139-88.280.5000122.1E39L27-E39 WeakPolarHBondContact CA-OE2 3.17Å; L27-E39 PolarHBondContact N-OE2 3.35Å
28Y24.7Very low27.8Very low90 Ų90105.7 Ų105.735%0.35354%0.543SS..  trans38.2143.5131.5-54.4-55.6000121.2I30 E39 I40Y28-I30 HydrophobicContact CD1-CD1 4.04Å; Y28-I30 HydrophobicContact CD1-CG1 3.57Å; Y28-I30 HydrophobicContact CE1-CD1 4.02Å; Y28-I30 HydrophobicContact CE1-CG1 3.93Å; Y28-E39 HydrophobicContact CD1-CB 4.33Å; Y28-E39 HydrophobicContact CD1-CG 3.49Å; Y28-E39 VanDerWaalsContact CD1-CG 3.49Å; Y28-E39 HydrophobicContact CE1-CG 3.44Å; Y28-E39 VanDerWaalsContact CE1-CG 3.44Å; Y28-E39 HydrophobicContact CG-CG 4.45Å; Y28-E39 PolarHBondContact N-OE2 3.4Å; Y28-I40 CarbonylContact C-O 3.34Å; Y28-I40 WeakPolarHBondContact CA-O 3.31Å; Y28-I40 PolarHBondContact N-O 3.07Å; Y28-I40 VanDerWaalsContact O-O 3.13Å
29P28.2Very low28Very low48 Ų48103.5 Ų103.531%0.31253%0.529SS..  cis-97.1171.241.235.9-39.7000117.1E39 I40P29-E39 CarbonylContact O-C 3.57Å; P29-E39 WeakPolarHBondContact O-CA 3.48Å; P29-I40 WeakPolarHBondContact CD-O 3.46Å; P29-I40 HydrophobicContact CG-CB 4.17Å; P29-I40 VanDerWaalsContact N-O 3.14Å; P29-I40 PolarHBondContact O-N 2.9Å
30I30Very low28.5Very low23 Ų23103 Ų10312%0.11851%0.513CS..EExtended strand (participates in β ladder)trans-96138-173.3-69.5177.1000112.5Y28 E32 I37 W38 Y96Y28-I30 HydrophobicContact CD1-CD1 4.04Å; Y28-I30 HydrophobicContact CD1-CG1 3.57Å; Y28-I30 HydrophobicContact CE1-CD1 4.02Å; Y28-I30 HydrophobicContact CE1-CG1 3.93Å; I30-E32 HydrophobicContact CG2-CG 4.45Å; I30-I37 HydrophobicContact CB-CG2 4.29Å; I30-I37 HydrophobicContact CD1-CG2 3.9Å; I30-I37 HydrophobicContact CG1-CG2 3.77Å; I30-I37 HydrophobicContact CG2-CB 4.27Å; I30-I37 HydrophobicContact CG2-CG1 3.91Å; I30-I37 HydrophobicContact CG2-CG2 3.77Å; I30-W38 CarbonylContact C-O 3.34Å; I30-W38 VanDerWaalsContact CA-O 3.26Å; I30-W38 WeakPolarHBondContact CA-O 3.41Å; I30-Y96 WeakPolarHBondContact O-CE1 3.43Å
31I30.5Very low28.8Very low66 Ų6697.6 Ų97.634%0.33849%0.489SS..EExtended strand (participates in β ladder)trans-117.9129.4156.1-57.1178.8000108.8I37 W38 I40I31-I37 CarbonylContact O-C 3.59Å; I31-I37 WeakPolarHBondContact O-CA 3.48Å; I31-W38 HydrophobicContact CB-CB 4.26Å; I31-W38 PolarHBondContact N-O 3.09Å; I31-W38 PolarHBondContact O-N 3.09Å; I31-I40 HydrophobicContact CD1-CD1 3.77Å; I31-I40 HydrophobicContact CG1-CD1 4.33Å
32E27.9Very low29.1Very low141 Ų14195.1 Ų95.166%0.65947%0.474SS*.EExtended strand (participates in β ladder)trans-88.4143.3171-80.2-159.1126.700112.9I30 I37I30-E32 HydrophobicContact CG2-CG 4.45Å; E32-I37 HydrophobicContact CG-CG1 3.8Å
33C31.6Very low29.7Very low56 Ų5690.2 Ų90.238%0.37846%0.463SS..EExtended strand (participates in β ladder)trans-145166162.5-81.60000108.7E35 G36C33-E35 PolarHBondContact O-N 3.39Å; C33-G36 PolarHBondContact N-O 2.9Å; C33-G36 PolarHBondContact O-N 3.07Å
34D30.6Very low30.1Very low180 Ų18089.5 Ų89.596%0.96346%0.456SS*.THydrogen-bonded Turntrans-55-15.2179.6-70-39.4000115.2
35E31.1Very low30.3Very low112 Ų11285.9 Ų85.952%0.52343%0.432SS..THydrogen-bonded Turntrans-104.8-6.7178.6-64-175.9-179.800114.1C33 L351 Q359C33-E35 PolarHBondContact O-N 3.39Å; E35-L351 WeakPolarHBondContact OE2-CD2 3.32Å; E35-Q359 PolarHBondContact OE1-NE2 3.24Å
36G28.5Very low31Very low30 Ų3082.1 Ų82.131%0.30942%0.422SS..EExtended strand (participates in β ladder)trans151.5178.5172.200000117.2C33C33-G36 PolarHBondContact N-O 2.9Å; C33-G36 PolarHBondContact O-N 3.07Å
37I30.7Very low31.7Very low70 Ų7076.8 Ų76.836%0.35941%0.411SS..EExtended strand (participates in β ladder)trans-88.5135.3173.7-82.6168.7000110I30 I31 E32I30-I37 HydrophobicContact CB-CG2 4.29Å; I30-I37 HydrophobicContact CD1-CG2 3.9Å; I30-I37 HydrophobicContact CG1-CG2 3.77Å; I30-I37 HydrophobicContact CG2-CB 4.27Å; I30-I37 HydrophobicContact CG2-CG1 3.91Å; I30-I37 HydrophobicContact CG2-CG2 3.77Å; I31-I37 CarbonylContact O-C 3.59Å; I31-I37 WeakPolarHBondContact O-CA 3.48Å; E32-I37 HydrophobicContact CG-CG1 3.8Å
38W32.7Very low32.4Very low93 Ų9372.6 Ų72.635%0.35239%0.389SS..EExtended strand (participates in β ladder)trans-119.2119.7-175.6-70.886.6000113.3I30 I31 L348 L351I30-W38 CarbonylContact C-O 3.34Å; I30-W38 VanDerWaalsContact CA-O 3.26Å; I30-W38 WeakPolarHBondContact CA-O 3.41Å; I31-W38 HydrophobicContact CB-CB 4.26Å; I31-W38 PolarHBondContact N-O 3.09Å; I31-W38 PolarHBondContact O-N 3.09Å; W38-L348 HydrophobicContact CH2-CB 4.48Å; W38-L348 HydrophobicContact CH2-CD1 3.35Å; W38-L348 HydrophobicContact CZ2-CD1 4.12Å; W38-L348 HydrophobicContact CZ3-CD1 3.67Å; W38-L351 HydrophobicContact CH2-CD1 3.56Å; W38-L351 HydrophobicContact CZ2-CD1 3.75Å
39E30.4Very low33.6Very low106 Ų10669.4 Ų69.450%0.49538%0.38SS..EExtended strand (participates in β ladder)trans-83.1120174.8-55.9-164.5-138.300112.8L27 Y28 P29L27-E39 WeakPolarHBondContact CA-OE2 3.17Å; L27-E39 PolarHBondContact N-OE2 3.35Å; Y28-E39 HydrophobicContact CD1-CB 4.33Å; Y28-E39 HydrophobicContact CD1-CG 3.49Å; Y28-E39 VanDerWaalsContact CD1-CG 3.49Å; Y28-E39 HydrophobicContact CE1-CG 3.44Å; Y28-E39 VanDerWaalsContact CE1-CG 3.44Å; Y28-E39 HydrophobicContact CG-CG 4.45Å; Y28-E39 PolarHBondContact N-OE2 3.4Å; P29-E39 CarbonylContact O-C 3.57Å; P29-E39 WeakPolarHBondContact O-CA 3.48Å
40I34Very low34.9Very low46 Ų4667.3 Ų67.324%0.23637%0.367CS..  trans-92.8159.9161.2-64.5173.2000108.4Y28 P29 I31 V45 L152Y28-I40 CarbonylContact C-O 3.34Å; Y28-I40 WeakPolarHBondContact CA-O 3.31Å; Y28-I40 PolarHBondContact N-O 3.07Å; Y28-I40 VanDerWaalsContact O-O 3.13Å; P29-I40 WeakPolarHBondContact CD-O 3.46Å; P29-I40 HydrophobicContact CG-CB 4.17Å; P29-I40 VanDerWaalsContact N-O 3.14Å; P29-I40 PolarHBondContact O-N 2.9Å; I31-I40 HydrophobicContact CD1-CD1 3.77Å; I31-I40 HydrophobicContact CG1-CD1 4.33Å; I40-V45 HydrophobicContact CG2-CG2 4.36Å; I40-L152 HydrophobicContact CD1-CD2 4.5Å
41N33.3Very low35.8Very low63 Ų6371.3 Ų71.334%0.33738%0.383SS..  trans-111.5140.7174.3-170.9-77.8000111.4F26 S43 F44F26-N41 PolarHBondContact O-ND2 3.31Å; N41-S43 WeakPolarHBondContact OD1-CB 3.44Å; N41-S43 PolarHBondContact OD1-N 2.93Å; N41-S43 PolarHBondContact OD1-OG 3.01Å; N41-F44 HydrophobicContact CB-CB 4.42Å; N41-F44 WeakPolarHBondContact O-CB 3.41Å; N41-F44 PolarHBondContact O-N 3.29Å
42Q33Very low36.5Very low93 Ų9371.5 Ų71.544%0.43538%0.383SS..Hα-helixtrans-65.6-40.4-176.8-58.7-179.5-6.800113.6F44 V45 H145Q42-F44 PolarHBondContact O-N 3.04Å; Q42-V45 PolarHBondContact O-N 3.22Å; Q42-V45 VanDerWaalsContact O-N 3.1Å; Q42-H145 PolarHBondContact NE2-CD2 2.84Å; Q42-H145 PolarHBondContact NE2-CE1 2.82Å; Q42-H145 PolarHBondContact NE2-NE2 3.32Å; Q42-H145 PolarHBondContact OE1-CE1 3.33Å; Q42-H145 PolarHBondContact OE1-NE2 3.23Å
43S35.6Very low37.5Very low88 Ų8864.9 Ų64.962%0.61535%0.352SS*.Hα-helixtrans-65.3-22.1179.967.90000113.1N41 T46N41-S43 WeakPolarHBondContact OD1-CB 3.44Å; N41-S43 PolarHBondContact OD1-N 2.93Å; N41-S43 PolarHBondContact OD1-OG 3.01Å; S43-T46 PolarHBondContact O-OG1 3.09Å
44F34.2Very low38.5Very low76 Ų7663 Ų6333%0.33334%0.337SS..Hα-helixtrans-73.8-35.1175.1167.8-96.5000111.9L13 N41 Q42 G47 L48L13-F44 HydrophobicContact CD1-CZ 3.99Å; L13-F44 HydrophobicContact CD2-CE1 4.5Å; L13-F44 HydrophobicContact CD2-CE2 3.31Å; L13-F44 HydrophobicContact CD2-CZ 3.32Å; L13-F44 HydrophobicContact CG-CZ 4.22Å; N41-F44 HydrophobicContact CB-CB 4.42Å; N41-F44 WeakPolarHBondContact O-CB 3.41Å; N41-F44 PolarHBondContact O-N 3.29Å; Q42-F44 PolarHBondContact O-N 3.04Å; F44-G47 PolarHBondContact O-N 2.94Å; F44-L48 HydrophobicContact CE1-CD1 4.15Å; F44-L48 HydrophobicContact CZ-CD1 4.24Å; F44-L48 VanDerWaalsContact O-CD1 3.31Å; F44-L48 WeakPolarHBondContact O-CD1 3.35Å
45V37Very low39.2Very low16 Ų1654.9 Ų54.910%0.09730%0.295CS..Hα-helixtrans-69.4-39.2179.3-175.10000111.6I40 Q42 G47 L48 P131 N148 W151I40-V45 HydrophobicContact CG2-CG2 4.36Å; Q42-V45 PolarHBondContact O-N 3.22Å; Q42-V45 VanDerWaalsContact O-N 3.1Å; V45-G47 PolarHBondContact O-N 3.41Å; V45-L48 WeakPolarHBondContact O-CD1 3.18Å; V45-L48 PolarHBondContact O-N 3.47Å; V45-P131 HydrophobicContact CG1-CB 4.06Å; V45-P131 VanDerWaalsContact O-CG 3.27Å; V45-P131 WeakPolarHBondContact O-CG 3.45Å; V45-N148 HydrophobicContact CG1-CB 3.99Å; V45-W151 HydrophobicContact CG1-CE3 3.92Å; V45-W151 HydrophobicContact CG1-CZ3 3.84Å
46T37.1Very low39.7Very low71 Ų7149.9 Ų49.944%0.43627%0.274SS..THydrogen-bonded Turntrans-64-7.1177.544.60000114.8S43S43-T46 PolarHBondContact O-OG1 3.09Å
47G39.1Very low40.4Very low46 Ų4648.7 Ų48.747%0.47426%0.261SS..THydrogen-bonded Turntrans-104.223.4177.400000115K5 F44 V45K5-G47 PolarHBondContact NZ-O 3.2Å; F44-G47 PolarHBondContact O-N 2.94Å; V45-G47 PolarHBondContact O-N 3.41Å
48L41.2Very low40.9Very low10 Ų1047.8 Ų47.85%0.05226%0.255CS..  trans-115.7121.8173.1-69.1108.9000110.9K5 F44 V45 L53 P131 W151K5-L48 HydrophobicContact CD-CD2 3.6Å; K5-L48 HydrophobicContact CD-CG 4.15Å; K5-L48 HydrophobicContact CG-CD2 3.76Å; F44-L48 HydrophobicContact CE1-CD1 4.15Å; F44-L48 HydrophobicContact CZ-CD1 4.24Å; F44-L48 VanDerWaalsContact O-CD1 3.31Å; F44-L48 WeakPolarHBondContact O-CD1 3.35Å; V45-L48 WeakPolarHBondContact O-CD1 3.18Å; V45-L48 PolarHBondContact O-N 3.47Å; L48-L53 HydrophobicContact CD2-CD1 4.14Å; L48-L53 HydrophobicContact CD2-CG 4.05Å; L48-P131 WeakPolarHBondContact O-CD 3.23Å; L48-P131 WeakPolarHBondContact O-CG 3.22Å; L48-W151 HydrophobicContact CB-CH2 3.44Å; L48-W151 VanDerWaalsContact CB-CH2 3.44Å; L48-W151 HydrophobicContact CB-CZ2 3.95Å; L48-W151 HydrophobicContact CB-CZ3 4.43Å; L48-W151 HydrophobicContact CD1-CH2 4.07Å; L48-W151 HydrophobicContact CD1-CZ3 4.32Å; L48-W151 HydrophobicContact CD2-CH2 4.01Å; L48-W151 HydrophobicContact CG-CH2 4.02Å
49S49.4Very low41.2Very low24 Ų2450 Ų5017%0.16826%0.263CS..  trans-87.2157.1160.877.30000110.8F51 E52 L53S49-F51 VanDerWaalsContact C-N 3.31Å; S49-F51 PolarHBondContact O-N 3.21Å; S49-E52 CarbonylContact O-C 3.39Å; S49-E52 VanDerWaalsContact O-C 3.23Å; S49-E52 VanDerWaalsContact O-CA 3.3Å; S49-E52 WeakPolarHBondContact O-CA 3.46Å; S49-E52 WeakPolarHBondContact O-CB 3.48Å; S49-E52 PolarHBondContact O-N 2.91Å; S49-E52 VanDerWaalsContact OG-CB 3.22Å; S49-E52 WeakPolarHBondContact OG-CB 3.5Å; S49-E52 WeakPolarHBondContact OG-CG 3.44Å; S49-E52 PolarHBondContact OG-N 3.4Å; S49-L53 PolarHBondContact O-N 3.01Å
50S54.6Low41.5Very low4 Ų447.3 Ų47.33%0.02825%0.251CS..Hα-helixtrans-65.2-34177.7-40.30000112.1L53 Y54 L128S50-L53 CarbonylContact O-C 3.43Å; S50-L53 WeakPolarHBondContact O-CA 3.32Å; S50-L53 WeakPolarHBondContact O-CB 3.4Å; S50-L53 PolarHBondContact O-N 3.15Å; S50-Y54 WeakPolarHBondContact O-CB 3.26Å; S50-Y54 VanDerWaalsContact O-CD2 3.31Å; S50-Y54 WeakPolarHBondContact O-CD2 3.48Å; S50-Y54 PolarHBondContact O-N 3.24Å; S50-L128 VanDerWaalsContact CB-O 3.23Å; S50-L128 WeakPolarHBondContact CB-O 3.32Å; S50-L128 PolarHBondContact OG-O 3.46Å
51F50.1Low41.9Very low106 Ų10645.9 Ų45.947%0.46524%0.244SC..Hα-helixtrans-68.8-38.1169.7179.4-96.1000111.7M1 S49 L53 Y54 V65M1-F51 WeakPolarHBondContact CA-O 3.28Å; M1-F51 VanDerWaalsContact CB-O 3.25Å; M1-F51 WeakPolarHBondContact CB-O 3.46Å; M1-F51 HydrophobicContact CE-CD1 4.29Å; M1-F51 HydrophobicContact CE-CE1 3.79Å; M1-F51 HydrophobicContact CG-CD1 3.79Å; M1-F51 HydrophobicContact CG-CE1 3.47Å; M1-F51 VanDerWaalsContact CG-CE1 3.47Å; M1-F51 HydrophobicContact CG-CZ 4.11Å; M1-F51 WeakPolarHBondContact CG-O 3.31Å; M1-F51 HydrophobicContact SD-CE1 4.48Å; S49-F51 VanDerWaalsContact C-N 3.31Å; S49-F51 PolarHBondContact O-N 3.21Å; F51-L53 PolarHBondContact O-N 3.07Å; F51-Y54 PolarHBondContact O-N 3.29Å; F51-V65 HydrophobicContact CD2-CG1 4.35Å; F51-V65 HydrophobicContact CE2-CG1 4.4Å; F51-V65 HydrophobicContact CE2-CG2 4.27Å
52E45.1Very low42.4Very low71 Ų7147.9 Ų47.933%0.33226%0.255SS..Hα-helixtrans-63.7-15.2165.6-82.1-147.1137.200113.1M1 K5 S49M1-E52 CarbonylContact C-O 3.49Å; M1-E52 WeakPolarHBondContact CA-O 3.39Å; M1-E52 VanDerWaalsContact N-CA 3.34Å; M1-E52 PolarHBondContact N-O 3.46Å; K5-E52 WeakPolarHBondContact CB-O 3.46Å; K5-E52 HydrophobicContact CD-CB 4.15Å; K5-E52 WeakPolarHBondContact CD-O 3.47Å; K5-E52 IonicContact NZ-OE2 3.57Å; K5-E52 PolarHBondContact NZ-OE2 2.97Å; S49-E52 CarbonylContact O-C 3.39Å; S49-E52 VanDerWaalsContact O-C 3.23Å; S49-E52 VanDerWaalsContact O-CA 3.3Å; S49-E52 WeakPolarHBondContact O-CA 3.46Å; S49-E52 WeakPolarHBondContact O-CB 3.48Å; S49-E52 PolarHBondContact O-N 2.91Å; S49-E52 VanDerWaalsContact OG-CB 3.22Å; S49-E52 WeakPolarHBondContact OG-CB 3.5Å; S49-E52 WeakPolarHBondContact OG-CG 3.44Å; S49-E52 PolarHBondContact OG-N 3.4Å
53L49.4Very low42.9Very low2 Ų245 Ų451%0.0124%0.242CC..Hα-helixtrans-92.2-19.4161.4-102171.2000114.2L2 K5 L48 S49 S50 F51 W151 H155L2-L53 WeakPolarHBondContact CA-O 3.4Å; L2-L53 WeakPolarHBondContact CB-O 3.44Å; L2-L53 HydrophobicContact CD1-CD2 4.41Å; L2-L53 WeakPolarHBondContact CD1-O 3.4Å; L2-L53 WeakPolarHBondContact CG-O 3.19Å; L2-L53 PolarHBondContact N-O 3.48Å; K5-L53 HydrophobicContact CB-CD2 4.17Å; K5-L53 WeakPolarHBondContact O-CD2 3.46Å; L48-L53 HydrophobicContact CD2-CD1 4.14Å; L48-L53 HydrophobicContact CD2-CG 4.05Å; S49-L53 PolarHBondContact O-N 3.01Å; S50-L53 CarbonylContact O-C 3.43Å; S50-L53 WeakPolarHBondContact O-CA 3.32Å; S50-L53 WeakPolarHBondContact O-CB 3.4Å; S50-L53 PolarHBondContact O-N 3.15Å; F51-L53 PolarHBondContact O-N 3.07Å; L53-W151 HydrophobicContact CD1-CH2 3.38Å; L53-W151 HydrophobicContact CD1-CZ2 3.58Å; L53-W151 HydrophobicContact CD1-CZ3 4.27Å; L53-H155 HydrophobicContact CD1-CB 4.19Å
54Y52.1Low43.3Very low16 Ų1647.7 Ų47.76%0.06325%0.245CC..Hα-helixtrans-107.3-14.6-162.1-97.8-71.6000123.5L2 S50 F51 G56 F70 L73 H155 L158L2-Y54 VanDerWaalsContact CB-C 3.46Å; L2-Y54 HydrophobicContact CD1-CD1 4.14Å; L2-Y54 HydrophobicContact CD1-CE1 4.06Å; L2-Y54 HydrophobicContact CD2-CD1 3.68Å; L2-Y54 HydrophobicContact CD2-CE1 3.99Å; L2-Y54 HydrophobicContact CD2-CG 4.45Å; L2-Y54 WeakPolarHBondContact CD2-O 3.46Å; S50-Y54 WeakPolarHBondContact O-CB 3.26Å; S50-Y54 VanDerWaalsContact O-CD2 3.31Å; S50-Y54 WeakPolarHBondContact O-CD2 3.48Å; S50-Y54 PolarHBondContact O-N 3.24Å; F51-Y54 PolarHBondContact O-N 3.29Å; Y54-G56 PolarHBondContact O-N 3.35Å; Y54-F70 AromaticContact CD2-CE1 3.42Å; Y54-F70 HydrophobicContact CD2-CE1 3.42Å; Y54-F70 VanDerWaalsContact CD2-CE1 3.42Å; Y54-F70 AromaticContact CD2-CZ 3.49Å; Y54-F70 HydrophobicContact CD2-CZ 3.49Å; Y54-F70 VanDerWaalsContact CD2-CZ 3.49Å; Y54-F70 HydrophobicContact CE2-CD1 4.43Å; Y54-F70 AromaticContact CE2-CE1 3.39Å; Y54-F70 HydrophobicContact CE2-CE1 3.39Å; Y54-F70 AromaticContact CE2-CZ 3.83Å; Y54-F70 HydrophobicContact CE2-CZ 3.83Å; Y54-F70 HydrophobicContact CG-CE1 4.13Å; Y54-F70 HydrophobicContact CG-CZ 4.3Å; Y54-L73 HydrophobicContact CE1-CD2 4.37Å; Y54-H155 AromaticContact CD2-CE1 3.88Å; Y54-H155 AromaticContact CE2-CE1 3.35Å; Y54-H155 WeakPolarHBondContact CE2-CE1 3.42Å; Y54-H155 AromaticContact CE2-ND1 3.36Å; Y54-H155 WeakPolarHBondContact CE2-ND1 3.45Å; Y54-H155 AromaticContact CZ-ND1 3.94Å; Y54-L158 WeakPolarHBondContact OH-CD2 3.41Å; Y54-L158 VanDerWaalsContact OH-CG 3.24Å; Y54-L158 WeakPolarHBondContact OH-CG 3.48Å
55A45.2Very low43.8Very low10 Ų1047 Ų478%0.08325%0.247CC..THydrogen-bonded Turntrans-73.815.5-174.300000120.1M1 L2 K3M1-A55 HydrophobicContact CB-CB 3.4Å; M1-A55 HydrophobicContact CG-CB 3.99Å; L2-A55 VanDerWaalsContact N-N 3.19Å; K3-A55 HydrophobicContact CD-CB 4.23Å; K3-A55 WeakPolarHBondContact CD-O 3.03Å; K3-A55 WeakPolarHBondContact CE-O 3.44Å; K3-A55 WeakPolarHBondContact CG-O 3.33Å; K3-A55 PolarHBondContact NZ-O 2.92Å
56G42.2Very low44.4Very low7 Ų747.9 Ų47.97%0.07225%0.253CS..THydrogen-bonded Turntrans-142.3-9.4-161.900000123.9K3 Y54 R59K3-G56 VanDerWaalsContact N-CA 3.32Å; Y54-G56 PolarHBondContact O-N 3.35Å; G56-R59 PolarHBondContact O-N 2.9Å
57V43.2Very low44.7Very low5 Ų549.6 Ų49.63%0.0327%0.268CS..G310 helixtrans-63.3-25.6138.974.30000109L2 R59 I60 I61 I162L2-V57 HydrophobicContact CD2-CB 3.8Å; L2-V57 HydrophobicContact CD2-CG1 3.39Å; L2-V57 HydrophobicContact CD2-CG2 3.65Å; L2-V57 HydrophobicContact CG-CG2 4.16Å; V57-R59 PolarHBondContact O-N 2.95Å; V57-I60 CarbonylContact O-C 3.46Å; V57-I60 WeakPolarHBondContact O-CA 3.3Å; V57-I60 PolarHBondContact O-N 3.44Å; V57-I61 HydrophobicContact CB-CD1 3.87Å; V57-I61 HydrophobicContact CB-CG1 4.38Å; V57-I61 HydrophobicContact CG1-CD1 4.39Å; V57-I61 PolarHBondContact O-N 3.1Å; V57-I162 HydrophobicContact CB-CG2 4.21Å; V57-I162 HydrophobicContact CG1-CG2 3.89Å; V57-I162 HydrophobicContact CG2-CG2 4.45Å
58H40Very low45.4Very low51 Ų5154.8 Ų54.824%0.23628%0.28CS..G310 helixtrans-67.928.3156.4179.630.6000113.8K3 L63K3-H58 VanDerWaalsContact CE-O 3.3Å; K3-H58 WeakPolarHBondContact CE-O 3.35Å; K3-H58 PolarHBondContact NZ-O 3.47Å; H58-L63 WeakPolarHBondContact CB-O 3.24Å; H58-L63 PolarHBondContact ND1-O 3.19Å
59R38.4Very low46.5Very low140 Ų14055.8 Ų55.853%0.52829%0.292SS..G310 helixtrans-132.47.7154.9-137-160.3-61.7-103.414.2112.5K3 G56 V57K3-R59 HydrophobicContact CG-CB 4.32Å; G56-R59 PolarHBondContact O-N 2.9Å; V57-R59 PolarHBondContact O-N 2.95Å
60I37.5Very low47.5Very low48 Ų4856 Ų5625%0.24629%0.291CS..THydrogen-bonded Turntrans-128.7-28.1-172.9-59.3173.1000109.9V57V57-I60 CarbonylContact O-C 3.46Å; V57-I60 WeakPolarHBondContact O-CA 3.3Å; V57-I60 PolarHBondContact O-N 3.44Å
61I43.2Very low48.5Very low16 Ų1658.5 Ų58.58%0.08231%0.308CS..THydrogen-bonded Turntrans-134.3-2.8-168.1-44.3176.3000111V57 L63 I162 Y166 F557V57-I61 HydrophobicContact CB-CD1 3.87Å; V57-I61 HydrophobicContact CB-CG1 4.38Å; V57-I61 HydrophobicContact CG1-CD1 4.39Å; V57-I61 PolarHBondContact O-N 3.1Å; I61-L63 HydrophobicContact CB-CD1 4.28Å; I61-L63 HydrophobicContact CB-CG 4.43Å; I61-L63 HydrophobicContact CG2-CD1 3.93Å; I61-L63 HydrophobicContact CG2-CG 4.03Å; I61-L63 PolarHBondContact O-N 3.23Å; I61-I162 HydrophobicContact CD1-CG2 3.24Å; I61-Y166 HydrophobicContact CD1-CG 4.34Å; I61-Y166 HydrophobicContact CG1-CD2 4.13Å; I61-Y166 HydrophobicContact CG1-CG 4.08Å; I61-Y166 HydrophobicContact CG2-CD2 4.14Å; I61-F557 WeakPolarHBondContact O-CE1 3.46Å; I61-F557 WeakPolarHBondContact O-CZ 3.3Å
62D43.5Very low49.4Very low106 Ų10655.2 Ų55.257%0.56730%0.298SS*.  trans48.87.4-180-68.3-17.4000119.2E64D62-E64 PolarHBondContact O-N 3.43Å
63L43.8Very low50.6Low32 Ų3252.3 Ų52.317%0.16829%0.285CS..  trans-40.4112.4161.3-73.7165.6000110.9H58 I61 I162H58-L63 WeakPolarHBondContact CB-O 3.24Å; H58-L63 PolarHBondContact ND1-O 3.19Å; I61-L63 HydrophobicContact CB-CD1 4.28Å; I61-L63 HydrophobicContact CB-CG 4.43Å; I61-L63 HydrophobicContact CG2-CD1 3.93Å; I61-L63 HydrophobicContact CG2-CG 4.03Å; I61-L63 PolarHBondContact O-N 3.23Å; L63-I162 HydrophobicContact CD1-CG2 4.19Å
64E42.5Very low51.8Low144 Ų14452.8 Ų52.867%0.67329%0.287SS*.  trans-52.9148.9170.6-63.7-164.7136.200110.1D62 P66D62-E64 PolarHBondContact O-N 3.43Å; E64-P66 WeakPolarHBondContact O-CD 3.3Å; E64-P66 VanDerWaalsContact O-N 3.1Å
65V46.5Very low52.8Low61 Ų6156.6 Ų56.637%0.3731%0.309SS..  trans-57.4121.5168.7-177.30000107F51 S67F51-V65 HydrophobicContact CD2-CG1 4.35Å; F51-V65 HydrophobicContact CE2-CG1 4.4Å; F51-V65 HydrophobicContact CE2-CG2 4.27Å; V65-S67 PolarHBondContact O-N 3.4Å
66P48.9Very low53.9Low35 Ų3559.2 Ų59.223%0.22732%0.319CS..  trans-61.6106-169.222.8-34.3000109.8E64 Q68 G69 L73E64-P66 WeakPolarHBondContact O-CD 3.3Å; E64-P66 VanDerWaalsContact O-N 3.1Å; P66-Q68 PolarHBondContact O-N 3.25Å; P66-G69 PolarHBondContact O-N 2.68Å; P66-L73 HydrophobicContact CB-CB 4.41Å; P66-L73 HydrophobicContact CG-CB 4.31Å; P66-L73 HydrophobicContact CG-CD2 4.36Å
67S44Very low55Low108 Ų10859.2 Ų59.276%0.75532%0.318SS*.THydrogen-bonded Turntrans-62.1-11.4-179.552.20000112.8V65V65-S67 PolarHBondContact O-N 3.4Å
68Q53.8Low56.3Low154 Ų15460.1 Ų60.172%0.7232%0.323SS*.THydrogen-bonded Turntrans-112.44.7-179.4-52.6-177.423.800113.1P66P66-Q68 PolarHBondContact O-N 3.25Å
69G63.1Low57.6Low31 Ų3164.5 Ų64.532%0.3234%0.344SS..Hα-helixtrans78.9-171.917300000116.2P66 S71 S72 L73P66-G69 PolarHBondContact O-N 2.68Å; G69-S71 PolarHBondContact O-N 3.33Å; G69-S72 PolarHBondContact O-N 3.5Å; G69-L73 PolarHBondContact O-N 3.05Å
70F71.4Confident58.7Low29 Ų2961.6 Ų61.613%0.12734%0.335CS..Hα-helixtrans-73.4-21.2-166.4-72-64.9000116.2Y54 L73 L74 P125 L128 M129Y54-F70 AromaticContact CD2-CE1 3.42Å; Y54-F70 HydrophobicContact CD2-CE1 3.42Å; Y54-F70 VanDerWaalsContact CD2-CE1 3.42Å; Y54-F70 AromaticContact CD2-CZ 3.49Å; Y54-F70 HydrophobicContact CD2-CZ 3.49Å; Y54-F70 VanDerWaalsContact CD2-CZ 3.49Å; Y54-F70 HydrophobicContact CE2-CD1 4.43Å; Y54-F70 AromaticContact CE2-CE1 3.39Å; Y54-F70 HydrophobicContact CE2-CE1 3.39Å; Y54-F70 AromaticContact CE2-CZ 3.83Å; Y54-F70 HydrophobicContact CE2-CZ 3.83Å; Y54-F70 HydrophobicContact CG-CE1 4.13Å; Y54-F70 HydrophobicContact CG-CZ 4.3Å; F70-L73 HydrophobicContact CD1-CD2 4.08Å; F70-L73 HydrophobicContact CE1-CD2 4.27Å; F70-L74 WeakPolarHBondContact O-CB 3.49Å; F70-L74 WeakPolarHBondContact O-CG 3.25Å; F70-L74 PolarHBondContact O-N 3.33Å; F70-L74 VanDerWaalsContact O-N 3.09Å; F70-P125 HydrophobicContact CB-CB 4.26Å; F70-L128 HydrophobicContact CB-CB 4.4Å; F70-L128 HydrophobicContact CB-CD1 4.28Å; F70-L128 HydrophobicContact CD1-CB 4.09Å; F70-L128 HydrophobicContact CD1-CD1 4Å; F70-L128 HydrophobicContact CD2-CB 4.23Å; F70-L128 HydrophobicContact CG-CB 3.96Å; F70-L128 HydrophobicContact CG-CD1 4.29Å; F70-M129 HydrophobicContact CD2-CE 3.59Å; F70-M129 HydrophobicContact CE2-CE 3.6Å
71S74.8Confident59.9Low57 Ų5760.6 Ų60.640%0.39933%0.332SS..Hα-helixtrans-65.5-56.8171.8-161.80000109.5G69 L73 L74 D75G69-S71 PolarHBondContact O-N 3.33Å; S71-L73 PolarHBondContact O-N 3.06Å; S71-L73 VanDerWaalsContact O-N 3.13Å; S71-L74 CarbonylContact O-C 3.53Å; S71-L74 WeakPolarHBondContact O-CA 3.08Å; S71-L74 WeakPolarHBondContact O-CB 3.41Å; S71-L74 PolarHBondContact O-N 3.17Å; S71-D75 WeakPolarHBondContact O-CB 3.29Å; S71-D75 VanDerWaalsContact O-CG 3.24Å; S71-D75 PolarHBondContact O-N 2.93Å; S71-D75 PolarHBondContact OG-OD2 3.46Å
72S69.2Low60.9Low36 Ų3662.6 Ų62.625%0.25236%0.357SS..Hα-helixtrans-49.1-43.5176.9165.90000112.5G69 D75 E76G69-S72 PolarHBondContact O-N 3.5Å; S72-D75 PolarHBondContact O-N 3.4Å; S72-E76 WeakPolarHBondContact O-CB 3.44Å; S72-E76 PolarHBondContact O-N 2.99Å
73L69.7Low61.8Low10 Ų1060.4 Ų60.45%0.05236%0.36CS..Hα-helixtrans-64.9-41.7175.7-175.867.1000113.5Y54 P66 G69 F70 S71 L77 L158Y54-L73 HydrophobicContact CE1-CD2 4.37Å; P66-L73 HydrophobicContact CB-CB 4.41Å; P66-L73 HydrophobicContact CG-CB 4.31Å; P66-L73 HydrophobicContact CG-CD2 4.36Å; G69-L73 PolarHBondContact O-N 3.05Å; F70-L73 HydrophobicContact CD1-CD2 4.08Å; F70-L73 HydrophobicContact CE1-CD2 4.27Å; S71-L73 PolarHBondContact O-N 3.06Å; S71-L73 VanDerWaalsContact O-N 3.13Å; L73-L77 HydrophobicContact CD1-CD1 3.86Å; L73-L77 HydrophobicContact CD1-CG 4.43Å; L73-L77 HydrophobicContact CG-CD1 3.92Å; L73-L77 WeakPolarHBondContact O-CB 3.3Å; L73-L77 WeakPolarHBondContact O-CD1 3.44Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.17Å; L73-L158 HydrophobicContact CD2-CD2 4.17Å
74L75.6Confident62.8Low12 Ų1265.4 Ų65.46%0.06338%0.376CS..Hα-helixtrans-68.9-39.3176.5-82.1163.6000111.8F70 S71 T78 L86 V123 P125 L128F70-L74 WeakPolarHBondContact O-CB 3.49Å; F70-L74 WeakPolarHBondContact O-CG 3.25Å; F70-L74 PolarHBondContact O-N 3.33Å; F70-L74 VanDerWaalsContact O-N 3.09Å; S71-L74 CarbonylContact O-C 3.53Å; S71-L74 WeakPolarHBondContact O-CA 3.08Å; S71-L74 WeakPolarHBondContact O-CB 3.41Å; S71-L74 PolarHBondContact O-N 3.17Å; L74-T78 VanDerWaalsContact O-CB 3.23Å; L74-T78 WeakPolarHBondContact O-CB 3.39Å; L74-T78 PolarHBondContact O-N 3.32Å; L74-T78 PolarHBondContact O-OG1 2.75Å; L74-L86 HydrophobicContact CD2-CB 4.04Å; L74-L86 HydrophobicContact CD2-CD2 4.11Å; L74-V123 HydrophobicContact CD2-CG1 4.46Å; L74-P125 HydrophobicContact CD1-CB 4.36Å; L74-P125 HydrophobicContact CD1-CG 3.92Å; L74-L128 HydrophobicContact CD1-CD1 3.84Å; L74-L128 HydrophobicContact CD2-CD1 4.48Å; L74-L128 HydrophobicContact CG-CD1 4.17Å
75D73.5Confident64.1Low96 Ų9663.2 Ų63.251%0.51337%0.366SS..Hα-helixtrans-68-45.3178.7-64.9-47.6000110.9S71 S72 T78 H79S71-D75 WeakPolarHBondContact O-CB 3.29Å; S71-D75 VanDerWaalsContact O-CG 3.24Å; S71-D75 PolarHBondContact O-N 2.93Å; S71-D75 PolarHBondContact OG-OD2 3.46Å; S72-D75 PolarHBondContact O-N 3.4Å; D75-T78 WeakPolarHBondContact O-CB 3.27Å; D75-T78 PolarHBondContact O-N 3.12Å; D75-H79 PolarHBondContact O-N 3.45Å
76E68Low65.4Low65 Ų6560.4 Ų60.430%0.30435%0.349SS..Hα-helixtrans-62.8-45.3175.1178.7176.6-144.700112.1S72 T78 H79 F80S72-E76 WeakPolarHBondContact O-CB 3.44Å; S72-E76 PolarHBondContact O-N 2.99Å; E76-T78 VanDerWaalsContact C-N 3.31Å; E76-T78 PolarHBondContact O-N 2.92Å; E76-H79 WeakPolarHBondContact O-CA 3.28Å; E76-H79 WeakPolarHBondContact O-CB 3.48Å; E76-H79 PolarHBondContact O-N 3.46Å; E76-H79 VanDerWaalsContact O-N 3.11Å; E76-F80 HydrophobicContact CG-CD2 3.76Å; E76-F80 HydrophobicContact CG-CE2 3.48Å; E76-F80 VanDerWaalsContact CG-CE2 3.48Å; E76-F80 WeakPolarHBondContact O-CD2 3.32Å; E76-F80 PolarHBondContact O-N 3.46Å
77L64.7Low66.5Low7 Ų760.2 Ų60.24%0.03735%0.345CS..Hα-helixtrans-70.9-27.9176.7-69.2165.8000112.5L73 H79 S81 L158 M161 I162L73-L77 HydrophobicContact CD1-CD1 3.86Å; L73-L77 HydrophobicContact CD1-CG 4.43Å; L73-L77 HydrophobicContact CG-CD1 3.92Å; L73-L77 WeakPolarHBondContact O-CB 3.3Å; L73-L77 WeakPolarHBondContact O-CD1 3.44Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.17Å; L77-H79 VanDerWaalsContact C-N 3.32Å; L77-S81 VanDerWaalsContact O-CB 3.27Å; L77-S81 WeakPolarHBondContact O-CB 3.46Å; L77-S81 PolarHBondContact O-N 3.02Å; L77-S81 PolarHBondContact O-OG 2.92Å; L77-L158 HydrophobicContact CD1-CD1 3.41Å; L77-L158 VanDerWaalsContact CD1-CD1 3.41Å; L77-M161 HydrophobicContact CB-CE 3.64Å; L77-M161 HydrophobicContact CB-SD 4.44Å; L77-M161 HydrophobicContact CD1-CE 3.98Å; L77-M161 HydrophobicContact CG-CE 4.38Å; L77-I162 HydrophobicContact CD1-CD1 3.94Å; L77-I162 HydrophobicContact CD1-CG1 3.61Å; L77-I162 HydrophobicContact CD2-CG1 4.1Å
78T70.4Confident67.5Low24 Ų2455.3 Ų55.315%0.14731%0.31CS..Hα-helixtrans-67.6-32.8168.7-62.10000111.4L74 D75 E76 S81 G83 R84 Q85L74-T78 VanDerWaalsContact O-CB 3.23Å; L74-T78 WeakPolarHBondContact O-CB 3.39Å; L74-T78 PolarHBondContact O-N 3.32Å; L74-T78 PolarHBondContact O-OG1 2.75Å; D75-T78 WeakPolarHBondContact O-CB 3.27Å; D75-T78 PolarHBondContact O-N 3.12Å; E76-T78 VanDerWaalsContact C-N 3.31Å; E76-T78 PolarHBondContact O-N 2.92Å; T78-S81 PolarHBondContact O-OG 3.5Å; T78-G83 CarbonylContact O-C 3.55Å; T78-G83 WeakPolarHBondContact O-CA 3.31Å; T78-G83 PolarHBondContact O-N 2.67Å; T78-R84 PolarHBondContact O-N 3.12Å; T78-Q85 HydrophobicContact CG2-CG 3.79Å
79H68.4Low67.8Low144 Ų14448 Ų4867%0.66728%0.276SS*.Hα-helixtrans-68-53.2171-173.777.1000111.2D75 E76 L77 S81 G82D75-H79 PolarHBondContact O-N 3.45Å; E76-H79 WeakPolarHBondContact O-CA 3.28Å; E76-H79 WeakPolarHBondContact O-CB 3.48Å; E76-H79 PolarHBondContact O-N 3.46Å; E76-H79 VanDerWaalsContact O-N 3.11Å; L77-H79 VanDerWaalsContact C-N 3.32Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.47Å; H79-G82 PolarHBondContact O-N 3.48Å
80F61.5Low67.3Low78 Ų7847.3 Ų47.334%0.34227%0.266SS..Hα-helixtrans-63.1-26.7-179.9-74.5-55.5000114.5E76 G82 T165 L553E76-F80 HydrophobicContact CG-CD2 3.76Å; E76-F80 HydrophobicContact CG-CE2 3.48Å; E76-F80 VanDerWaalsContact CG-CE2 3.48Å; E76-F80 WeakPolarHBondContact O-CD2 3.32Å; E76-F80 PolarHBondContact O-N 3.46Å; F80-G82 PolarHBondContact O-N 3.42Å; F80-T165 HydrophobicContact CB-CG2 4.25Å; F80-L553 HydrophobicContact CE1-CD2 4Å; F80-L553 HydrophobicContact CZ-CD2 4.35Å
81S61.7Low66.5Low27 Ų2747.5 Ų47.519%0.18927%0.273CS..THydrogen-bonded Turntrans-77.1-5174.1710000113.8L77 T78 H79 R84L77-S81 VanDerWaalsContact O-CB 3.27Å; L77-S81 WeakPolarHBondContact O-CB 3.46Å; L77-S81 PolarHBondContact O-N 3.02Å; L77-S81 PolarHBondContact O-OG 2.92Å; T78-S81 PolarHBondContact O-OG 3.5Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.47Å; S81-R84 WeakPolarHBondContact O-CD 3.19Å; S81-R84 WeakPolarHBondContact O-CG 3.46Å; S81-R84 PolarHBondContact O-NE 3.48Å; S81-R84 WeakPolarHBondContact OG-CA 3.45Å; S81-R84 WeakPolarHBondContact OG-CB 3.44Å; S81-R84 PolarHBondContact OG-N 3.05Å; S81-R84 PolarHBondContact OG-O 3.15Å
82G63.7Low65.3Low59 Ų5947.2 Ų47.261%0.60827%0.269SS*.THydrogen-bonded Turntrans78.647.6-174.500000112.7H79 F80H79-G82 PolarHBondContact O-N 3.48Å; F80-G82 PolarHBondContact O-N 3.42Å
83G62.3Low64.3Low60 Ų6047 Ų4762%0.61927%0.265SS*.SBendtrans84.714.2177.500000115.2T78T78-G83 CarbonylContact O-C 3.55Å; T78-G83 WeakPolarHBondContact O-CA 3.31Å; T78-G83 PolarHBondContact O-N 2.67Å
84R64.7Low63.3Low136 Ų13650.8 Ų50.851%0.51328%0.282SS..  trans-104.7111-169.9-45.7173.3-167.7-157.40.8110.8T78 S81T78-R84 PolarHBondContact O-N 3.12Å; S81-R84 WeakPolarHBondContact O-CD 3.19Å; S81-R84 WeakPolarHBondContact O-CG 3.46Å; S81-R84 PolarHBondContact O-NE 3.48Å; S81-R84 WeakPolarHBondContact OG-CA 3.45Å; S81-R84 WeakPolarHBondContact OG-CB 3.44Å; S81-R84 PolarHBondContact OG-N 3.05Å; S81-R84 PolarHBondContact OG-O 3.15Å
85Q71.2Confident61.9Low99 Ų9953 Ų5346%0.46330%0.299SS..  trans-69.3154.2177.7-67.1175.7-19.100111.7T78 M87 I122T78-Q85 HydrophobicContact CG2-CG 3.79Å; Q85-M87 PolarHBondContact O-N 2.7Å; Q85-I122 HydrophobicContact CB-CG2 4.18Å
86L72.7Confident60.5Low2 Ų250.9 Ų50.91%0.0128%0.284CS..  trans-73.8122.3174.5-175.264.2000110.2L74 I122 V123 A157 L158 M161 I517L74-L86 HydrophobicContact CD2-CB 4.04Å; L74-L86 HydrophobicContact CD2-CD2 4.11Å; L86-I122 WeakPolarHBondContact O-CA 2.94Å; L86-V123 HydrophobicContact CB-CB 4.28Å; L86-V123 HydrophobicContact CB-CG2 4.42Å; L86-V123 HydrophobicContact CD2-CB 3.97Å; L86-V123 HydrophobicContact CD2-CG1 4.12Å; L86-V123 HydrophobicContact CD2-CG2 3.84Å; L86-V123 HydrophobicContact CG-CB 4.12Å; L86-V123 HydrophobicContact CG-CG2 3.81Å; L86-V123 PolarHBondContact O-N 2.94Å; L86-A157 HydrophobicContact CD1-CB 3.82Å; L86-A157 HydrophobicContact CD2-CB 4.36Å; L86-A157 HydrophobicContact CG-CB 4.3Å; L86-L158 HydrophobicContact CD2-CB 3.65Å; L86-L158 HydrophobicContact CD2-CD1 4.2Å; L86-L158 HydrophobicContact CD2-CG 4.39Å; L86-M161 HydrophobicContact CB-CE 3.94Å; L86-M161 HydrophobicContact CB-SD 4.37Å; L86-M161 HydrophobicContact CD1-CB 4.23Å; L86-M161 HydrophobicContact CD1-CE 3.97Å; L86-M161 HydrophobicContact CD1-SD 4.03Å; L86-M161 HydrophobicContact CD2-CE 4.21Å; L86-M161 HydrophobicContact CG-CE 4.26Å; L86-I517 HydrophobicContact CD1-CD1 4.44Å; L86-I517 HydrophobicContact CD1-CG1 4.34Å
87M72.8Confident59.1Low30 Ų3049.4 Ų49.415%0.14828%0.281CS..EExtended strand (participates in β ladder)trans-130.6121.3-176.8-42.7-179.892.100112.6Q85 P120 Y121 I122 G516 I517Q85-M87 PolarHBondContact O-N 2.7Å; M87-P120 HydrophobicContact CB-CB 4.03Å; M87-P120 HydrophobicContact CE-CB 4.16Å; M87-P120 HydrophobicContact CE-CG 3.75Å; M87-P120 HydrophobicContact SD-CB 4.23Å; M87-P120 HydrophobicContact SD-CG 3.98Å; M87-Y121 CarbonylContact C-O 3.56Å; M87-Y121 VanDerWaalsContact CA-O 3.26Å; M87-Y121 WeakPolarHBondContact CA-O 3.46Å; M87-I122 HydrophobicContact CE-CD1 4.18Å; M87-I122 HydrophobicContact CE-CG1 3.49Å; M87-I122 VanDerWaalsContact CE-CG1 3.49Å; M87-I122 HydrophobicContact CG-CG1 4.23Å; M87-G516 CarbonylContact O-C 3.53Å; M87-I517 WeakPolarHBondContact O-CA 3.48Å
88L63.8Low58Low5 Ų554.9 Ų54.93%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-66.8149.1171.9-59.7-173.9000112.3P120 Y121 V123 I150 A153 A157L88-P120 WeakPolarHBondContact O-CA 3.46Å; L88-Y121 HydrophobicContact CB-CD1 4.35Å; L88-Y121 HydrophobicContact CD1-CD1 4.05Å; L88-Y121 HydrophobicContact CG-CD1 4.26Å; L88-Y121 PolarHBondContact N-O 3.31Å; L88-Y121 PolarHBondContact O-N 3.06Å; L88-V123 HydrophobicContact CD1-CG2 4.48Å; L88-V123 HydrophobicContact CD2-CG2 3.91Å; L88-V123 HydrophobicContact CG-CG2 3.75Å; L88-I150 HydrophobicContact CD1-CG2 4.33Å; L88-A153 HydrophobicContact CD1-CB 3.82Å; L88-A153 HydrophobicContact CD2-CB 3.98Å; L88-A157 HydrophobicContact CD2-CB 3.81Å
89D60.4Low56.5Low1 Ų157 Ų571%0.00531%0.314CS..  trans-81.3125.2179.1-179.8-7000111.4A91 V92 T514 G515 Y518D89-A91 PolarHBondContact O-N 2.98Å; D89-A91 WeakPolarHBondContact OD1-CB 3.49Å; D89-A91 PolarHBondContact OD1-N 3.34Å; D89-V92 HydrophobicContact CB-CB 4.35Å; D89-V92 HydrophobicContact CB-CG2 3.88Å; D89-V92 WeakPolarHBondContact O-CB 3.49Å; D89-V92 PolarHBondContact O-N 3.12Å; D89-T514 WeakPolarHBondContact OD2-CA 3.49Å; D89-T514 PolarHBondContact OD2-N 2.93Å; D89-T514 VanDerWaalsContact OD2-N 3.15Å; D89-G515 PolarHBondContact OD2-N 2.97Å; D89-Y518 HydrophobicContact CB-CD2 4.39Å; D89-Y518 HydrophobicContact CB-CE2 3.77Å; D89-Y518 VanDerWaalsContact CG-CE2 3.47Å; D89-Y518 VanDerWaalsContact OD1-CE2 3.24Å; D89-Y518 WeakPolarHBondContact OD1-CE2 3.39Å; D89-Y518 PolarHBondContact OD1-OH 2.91Å
90P53.2Low55.1Low16 Ų1652.8 Ų52.810%0.10430%0.296CS..THydrogen-bonded Turntrans-55.9-32176.9-2737.3000113.6V92 L93 E94 L117 N119P90-V92 PolarHBondContact O-N 2.89Å; P90-L93 CarbonylContact O-C 3.59Å; P90-L93 WeakPolarHBondContact O-CA 3.38Å; P90-L93 PolarHBondContact O-N 2.95Å; P90-E94 WeakPolarHBondContact O-CG 3.45Å; P90-E94 PolarHBondContact O-N 2.9Å; P90-L117 WeakPolarHBondContact CB-O 3.27Å; P90-N119 WeakPolarHBondContact CG-O 3.25Å
91A53.6Low54.1Low34 Ų3454.4 Ų54.428%0.28131%0.307SS..Hα-helixtrans-64.4-27177.100000112.8D89 L93 S95D89-A91 PolarHBondContact O-N 2.98Å; D89-A91 WeakPolarHBondContact OD1-CB 3.49Å; D89-A91 PolarHBondContact OD1-N 3.34Å; A91-L93 PolarHBondContact O-N 3.43Å; A91-S95 WeakPolarHBondContact O-CB 3.45Å; A91-S95 PolarHBondContact O-N 3.43Å; A91-S95 PolarHBondContact O-OG 2.93Å
92V49.4Very low53.1Low51 Ų5160.8 Ų60.831%0.30933%0.334SS..Hα-helixtrans-78.7-8.7175.3-178.90000111.7D89 P90 Y96D89-V92 HydrophobicContact CB-CB 4.35Å; D89-V92 HydrophobicContact CB-CG2 3.88Å; D89-V92 WeakPolarHBondContact O-CB 3.49Å; D89-V92 PolarHBondContact O-N 3.12Å; P90-V92 PolarHBondContact O-N 2.89Å; V92-Y96 WeakPolarHBondContact O-CD2 3.28Å; V92-Y96 WeakPolarHBondContact O-CE2 3.04Å
93L49.9Very low51.7Low31 Ų3164.3 Ų64.316%0.16234%0.336CS..Hα-helixtrans-106.7-41.1173.4-70.7159.5000111.9P90 A91 S97 I150P90-L93 CarbonylContact O-C 3.59Å; P90-L93 WeakPolarHBondContact O-CA 3.38Å; P90-L93 PolarHBondContact O-N 2.95Å; A91-L93 PolarHBondContact O-N 3.43Å; L93-S97 PolarHBondContact O-N 2.84Å; L93-S97 VanDerWaalsContact O-N 3.17Å; L93-I150 HydrophobicContact CD2-CD1 4.4Å; L93-I150 HydrophobicContact CD2-CG1 3.71Å
94E48.4Very low50.5Low89 Ų8964.4 Ų64.442%0.41633%0.325SS..Hα-helixtrans-59.4-46.4177.7-76.3-172.2148.300112.5P90 Y96 S97 H98 L117P90-E94 WeakPolarHBondContact O-CG 3.45Å; P90-E94 PolarHBondContact O-N 2.9Å; E94-Y96 PolarHBondContact O-N 3.11Å; E94-S97 PolarHBondContact O-N 3.36Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact O-OG 3.18Å; E94-H98 PolarHBondContact O-N 3.35Å; E94-H98 VanDerWaalsContact O-N 3.1Å; E94-L117 HydrophobicContact CG-CD2 3.91Å; E94-L117 HydrophobicContact CG-CG 4.27Å
95S44.9Very low49.1Very low60 Ų6067.8 Ų67.842%0.4234%0.343SS..Hα-helixtrans-50.7-52.318040.50000112.7A91 H98A91-S95 WeakPolarHBondContact O-CB 3.45Å; A91-S95 PolarHBondContact O-N 3.43Å; A91-S95 PolarHBondContact O-OG 2.93Å; S95-H98 PolarHBondContact O-N 2.85Å
96Y44.4Very low47.4Very low51 Ų5169.1 Ų69.120%0.235%0.354CS..Hα-helixtrans-72.2-34.2179.4-60.7-96000112.7I30 V92 E94 H98 E99 I100 L149I30-Y96 WeakPolarHBondContact O-CE1 3.43Å; V92-Y96 WeakPolarHBondContact O-CD2 3.28Å; V92-Y96 WeakPolarHBondContact O-CE2 3.04Å; E94-Y96 PolarHBondContact O-N 3.11Å; Y96-H98 VanDerWaalsContact C-N 3.27Å; Y96-H98 PolarHBondContact O-N 2.87Å; Y96-E99 PolarHBondContact O-N 2.9Å; Y96-I100 WeakPolarHBondContact O-CG1 3.27Å; Y96-I100 PolarHBondContact O-N 3.06Å; Y96-I100 VanDerWaalsContact O-N 3.15Å; Y96-L149 HydrophobicContact CD1-CD1 3.79Å; Y96-L149 HydrophobicContact CD1-CD2 3.98Å; Y96-L149 HydrophobicContact CD2-CD1 4.31Å; Y96-L149 HydrophobicContact CD2-CD2 3.51Å; Y96-L149 HydrophobicContact CD2-CG 4.48Å; Y96-L149 HydrophobicContact CE1-CD1 3.61Å; Y96-L149 HydrophobicContact CE1-CD2 4.46Å; Y96-L149 HydrophobicContact CE2-CD1 4.17Å; Y96-L149 HydrophobicContact CE2-CD2 4.06Å; Y96-L149 HydrophobicContact CG-CD1 4.13Å; Y96-L149 HydrophobicContact CG-CD2 3.46Å; Y96-L149 VanDerWaalsContact CG-CD2 3.46Å; Y96-L149 HydrophobicContact CG-CG 4.45Å
97S40.3Very low45.5Very low33 Ų3375 Ų7523%0.23139%0.392CS..Hα-helixtrans-60.7-36.8176.7780000112.5L93 E94 I100 I101L93-S97 PolarHBondContact O-N 2.84Å; L93-S97 VanDerWaalsContact O-N 3.17Å; E94-S97 PolarHBondContact O-N 3.36Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact O-OG 3.18Å; S97-I100 PolarHBondContact O-N 3.36Å; S97-I101 WeakPolarHBondContact O-CG1 3.14Å; S97-I101 PolarHBondContact O-N 2.97Å
98H39.9Very low43.5Very low123 Ų12381.6 Ų81.657%0.56942%0.42SS*.Hα-helixtrans-71.8-30.2179.8-98.8-57.4000113.5E94 S95 Y96 Q102E94-H98 PolarHBondContact O-N 3.35Å; E94-H98 VanDerWaalsContact O-N 3.1Å; S95-H98 PolarHBondContact O-N 2.85Å; Y96-H98 VanDerWaalsContact C-N 3.27Å; Y96-H98 PolarHBondContact O-N 2.87Å; H98-Q102 WeakPolarHBondContact O-CG 3.31Å; H98-Q102 PolarHBondContact O-N 3.44Å
99E39.6Very low42Very low68 Ų6886.8 Ų86.832%0.31845%0.454SS..Hα-helixtrans-71.4-44.6171.9-69.5-156.2122.600111.9Y96 I101 Q102 M103Y96-E99 PolarHBondContact O-N 2.9Å; E99-I101 VanDerWaalsContact C-N 3.27Å; E99-I101 PolarHBondContact O-N 3.35Å; E99-Q102 PolarHBondContact O-N 2.88Å; E99-M103 PolarHBondContact O-N 3.38Å; E99-M103 VanDerWaalsContact O-N 3.14Å
100I38.4Very low40.8Very low56 Ų5693.9 Ų93.929%0.28749%0.49SS..Hα-helixtrans-56.5-44.1179.2-69.5162.9000110.6Y96 S97 Q102 M103 T104 Q142Y96-I100 WeakPolarHBondContact O-CG1 3.27Å; Y96-I100 PolarHBondContact O-N 3.06Å; Y96-I100 VanDerWaalsContact O-N 3.15Å; S97-I100 PolarHBondContact O-N 3.36Å; I100-Q102 VanDerWaalsContact C-N 3.28Å; I100-Q102 PolarHBondContact O-N 3.22Å; I100-M103 PolarHBondContact O-N 3.23Å; I100-T104 PolarHBondContact O-N 2.93Å; I100-T104 PolarHBondContact O-OG1 3.12Å; I100-Q142 HydrophobicContact CG2-CG 4.4Å; I100-Q142 VanDerWaalsContact CG2-NE2 3.3Å
101I41.7Very low39.7Very low111 Ų111103.6 Ų103.657%0.56953%0.526SS*.Hα-helixtrans-62.6-31176.8-68.2166.4000112.5S97 E99S97-I101 WeakPolarHBondContact O-CG1 3.14Å; S97-I101 PolarHBondContact O-N 2.97Å; E99-I101 VanDerWaalsContact C-N 3.27Å; E99-I101 PolarHBondContact O-N 3.35Å
102Q39.8Very low38.8Very low162 Ų162109.1 Ų109.176%0.75754%0.541SS*.Hα-helixtrans-79-24.5177.6-73.7-175.965.300113.5H98 E99 I100H98-Q102 WeakPolarHBondContact O-CG 3.31Å; H98-Q102 PolarHBondContact O-N 3.44Å; E99-Q102 PolarHBondContact O-N 2.88Å; I100-Q102 VanDerWaalsContact C-N 3.28Å; I100-Q102 PolarHBondContact O-N 3.22Å
103M35.5Very low38Very low132 Ų132112.9 Ų112.965%0.6555%0.553SS**Hα-helixtrans-82.5-31.6-179.5-64.4-161.5-172.200113.4E99 I100E99-M103 PolarHBondContact O-N 3.38Å; E99-M103 VanDerWaalsContact O-N 3.14Å; I100-M103 PolarHBondContact O-N 3.23Å
104T35.5Very low37.4Very low63 Ų63115.9 Ų115.939%0.38758%0.577SS.*SBendtrans-91.6135.9174.842.40000113.1I100 D106I100-T104 PolarHBondContact O-N 2.93Å; I100-T104 PolarHBondContact O-OG1 3.12Å; T104-D106 VanDerWaalsContact C-N 3.28Å; T104-D106 PolarHBondContact O-N 2.88Å
105K36.5Very low36.9Very low206 Ų206117.2 Ų117.290%0.89658%0.583SS**  trans-83.97.4-177.6-72.7-171.6174.6-1780115.2
106D34.8Very low36.8Very low127 Ų127117.3 Ų117.368%0.67958%0.581SS**  trans-100.6116.5-177.1-80.6-71.2000111.8T104 K108T104-D106 VanDerWaalsContact C-N 3.28Å; T104-D106 PolarHBondContact O-N 2.88Å; D106-K108 PolarHBondContact O-N 3.15Å
107P33.3Very low36.9Very low125 Ų125118.3 Ų118.381%0.81259%0.589SS**  trans-8453.6-175.236.2-37.5000111.7
108K31.4Very low37.1Very low169 Ų169124.1 Ų124.174%0.73561%0.613SS**  trans-129.3106177.7-73.2-175.9178.9176.90110.2D106 I110D106-K108 PolarHBondContact O-N 3.15Å; K108-I110 PolarHBondContact O-N 3.15Å
109P30.7Very low37.7Very low115 Ų115123.5 Ų123.575%0.74761%0.614SS**  trans-67.4117.4172.328.3-32.3000109
110I34.8Very low38.8Very low149 Ų149121.8 Ų121.876%0.76461%0.609SS**  trans-70.7139.4172.2-63.3178.4000108.2K108 Y112K108-I110 PolarHBondContact O-N 3.15Å; I110-Y112 PolarHBondContact O-N 3.01Å
111Y31.2Very low40.2Very low220 Ų220122.2 Ų122.286%0.86361%0.607SS**  trans-68.2104.1-167-81.8-113.1000113
112Y34.5Very low41.9Very low150 Ų150119.9 Ų119.959%0.58860%0.595SS**  -96.9144.5127.9-93.3-95.8000108.7I110 S114 V116I110-Y112 PolarHBondContact O-N 3.01Å; Y112-S114 PolarHBondContact O-N 3.37Å; Y112-V116 HydrophobicContact CD1-CG2 4.44Å
113K32.9Very low43.7Very low131 Ų131112.4 Ų112.457%0.5756%0.561SS**  trans-61.2132.6171.8-66.1-176.486.4-152.60108.3E115 V116K113-E115 WeakPolarHBondContact CD-OE2 3.12Å; K113-E115 WeakPolarHBondContact CE-OE1 3.28Å; K113-E115 WeakPolarHBondContact CE-OE2 3.24Å; K113-E115 IonicContact NZ-OE1 3.39Å; K113-E115 PolarHBondContact NZ-OE1 3.05Å; K113-E115 IonicContact NZ-OE2 2.9Å; K113-E115 PolarHBondContact NZ-OE2 3.4Å; K113-E115 PolarHBondContact O-N 3.2Å; K113-V116 PolarHBondContact O-N 3.47Å; K113-V116 VanDerWaalsContact O-N 3.16Å
114S37.4Very low45.8Very low94 Ų94110.1 Ų110.166%0.65755%0.548SS*.THydrogen-bonded Turntrans-64.38179.7-169.80000114.8Y112Y112-S114 PolarHBondContact O-N 3.37Å
115E36.7Very low47.8Very low116 Ų116109.2 Ų109.254%0.54254%0.544SS..THydrogen-bonded Turntrans-86-22.8175.8-61.9158.4175.400111.8K113K113-E115 WeakPolarHBondContact CD-OE2 3.12Å; K113-E115 WeakPolarHBondContact CE-OE1 3.28Å; K113-E115 WeakPolarHBondContact CE-OE2 3.24Å; K113-E115 IonicContact NZ-OE1 3.39Å; K113-E115 PolarHBondContact NZ-OE1 3.05Å; K113-E115 IonicContact NZ-OE2 2.9Å; K113-E115 PolarHBondContact NZ-OE2 3.4Å; K113-E115 PolarHBondContact O-N 3.2Å
116V43.2Very low49.6Very low63 Ų63104.2 Ų104.238%0.38253%0.53SS..SBendtrans-77.9-38.4-175.1-178.20000112.5Y112 K113 Q118 Y121Y112-V116 HydrophobicContact CD1-CG2 4.44Å; K113-V116 PolarHBondContact O-N 3.47Å; K113-V116 VanDerWaalsContact O-N 3.16Å; V116-Q118 VanDerWaalsContact C-N 3.25Å; V116-Q118 PolarHBondContact O-N 2.94Å; V116-Y121 HydrophobicContact CG1-CD2 4.49Å
117L46.9Very low51.4Low71 Ų7199.2 Ų99.237%0.37250%0.503SS..THydrogen-bonded Turntrans-71.5-16-179.5-94.365.2000113.8P90 E94P90-L117 WeakPolarHBondContact CB-O 3.27Å; E94-L117 HydrophobicContact CG-CD2 3.91Å; E94-L117 HydrophobicContact CG-CG 4.27Å
118Q45.4Very low53.2Low156 Ų15693.2 Ų93.273%0.72947%0.465SS*.THydrogen-bonded Turntrans-87.9-6.4-175.6-64.3-169.1-2.100114.2V116V116-Q118 VanDerWaalsContact C-N 3.25Å; V116-Q118 PolarHBondContact O-N 2.94Å
119N51.6Low54.9Low109 Ų10989.2 Ų89.258%0.58345%0.45SS*.SBendtrans-131.1148.8179.3-69.3-64.7000110.7P90P90-N119 WeakPolarHBondContact CG-O 3.25Å
120P62.1Low56.1Low33 Ų3391.3 Ų91.321%0.21444%0.444CS..  trans-60.4138.6172.526.9-34.8000111.4M87 L88 Y518M87-P120 HydrophobicContact CB-CB 4.03Å; M87-P120 HydrophobicContact CE-CB 4.16Å; M87-P120 HydrophobicContact CE-CG 3.75Å; M87-P120 HydrophobicContact SD-CB 4.23Å; M87-P120 HydrophobicContact SD-CG 3.98Å; L88-P120 WeakPolarHBondContact O-CA 3.46Å; P120-Y518 HydrophobicContact CB-CD2 3.77Å; P120-Y518 HydrophobicContact CB-CG 3.84Å; P120-Y518 HydrophobicContact CG-CD2 4.49Å; P120-Y518 HydrophobicContact CG-CG 4.08Å
121Y69.7Low57.1Low65 Ų6584.6 Ų84.626%0.25541%0.41SS..EExtended strand (participates in β ladder)trans-93.1113-169173.4-95000110.9M87 L88 V116 V123 D127 I150M87-Y121 CarbonylContact C-O 3.56Å; M87-Y121 VanDerWaalsContact CA-O 3.26Å; M87-Y121 WeakPolarHBondContact CA-O 3.46Å; L88-Y121 HydrophobicContact CB-CD1 4.35Å; L88-Y121 HydrophobicContact CD1-CD1 4.05Å; L88-Y121 HydrophobicContact CG-CD1 4.26Å; L88-Y121 PolarHBondContact N-O 3.31Å; L88-Y121 PolarHBondContact O-N 3.06Å; V116-Y121 HydrophobicContact CG1-CD2 4.49Å; Y121-V123 PolarHBondContact O-N 3.07Å; Y121-D127 WeakPolarHBondContact CE1-OD2 3.21Å; Y121-D127 PolarHBondContact OH-OD2 2.66Å; Y121-I150 HydrophobicContact CE1-CG2 4.06Å
122I77.4Confident58Low62 Ų6277.9 Ų77.932%0.31839%0.389SS..EExtended strand (participates in β ladder)trans-66.5122.1178.7-58.6159.1000109.3Q85 L86 M87 Q124Q85-I122 HydrophobicContact CB-CG2 4.18Å; L86-I122 WeakPolarHBondContact O-CA 2.94Å; M87-I122 HydrophobicContact CE-CD1 4.18Å; M87-I122 HydrophobicContact CE-CG1 3.49Å; M87-I122 VanDerWaalsContact CE-CG1 3.49Å; M87-I122 HydrophobicContact CG-CG1 4.23Å; I122-Q124 PolarHBondContact O-N 3.19Å; I122-Q124 PolarHBondContact O-NE2 3.5Å
123V77.4Confident58.5Low5 Ų575.6 Ų75.63%0.0340%0.395CS..PPolyproline II helixtrans-64.2120.7176.6174.20000109.6L74 L86 L88 Y121 D127 L128L74-V123 HydrophobicContact CD2-CG1 4.46Å; L86-V123 HydrophobicContact CB-CB 4.28Å; L86-V123 HydrophobicContact CB-CG2 4.42Å; L86-V123 HydrophobicContact CD2-CB 3.97Å; L86-V123 HydrophobicContact CD2-CG1 4.12Å; L86-V123 HydrophobicContact CD2-CG2 3.84Å; L86-V123 HydrophobicContact CG-CB 4.12Å; L86-V123 HydrophobicContact CG-CG2 3.81Å; L86-V123 PolarHBondContact O-N 2.94Å; L88-V123 HydrophobicContact CD1-CG2 4.48Å; L88-V123 HydrophobicContact CD2-CG2 3.91Å; L88-V123 HydrophobicContact CG-CG2 3.75Å; Y121-V123 PolarHBondContact O-N 3.07Å; V123-D127 HydrophobicContact CG1-CB 4.43Å; V123-L128 HydrophobicContact CG1-CD1 4.29Å; V123-L128 HydrophobicContact CG1-CD2 4.47Å; V123-L128 HydrophobicContact CG1-CG 4.18Å
124Q79.3Confident58.8Low83 Ų8371.6 Ų71.639%0.38839%0.391SS..PPolyproline II helixtrans-88.9154.7175.6-55.5-54.8-65.400110.7I122 T126 D127I122-Q124 PolarHBondContact O-N 3.19Å; I122-Q124 PolarHBondContact O-NE2 3.5Å; Q124-T126 VanDerWaalsContact CB-OG1 3.3Å; Q124-T126 WeakPolarHBondContact CB-OG1 3.16Å; Q124-T126 PolarHBondContact O-N 3.45Å; Q124-T126 VanDerWaalsContact O-N 3.13Å; Q124-D127 WeakPolarHBondContact CB-OD2 3.49Å; Q124-D127 PolarHBondContact N-OD2 2.75Å; Q124-D127 WeakPolarHBondContact O-CB 3.48Å; Q124-D127 PolarHBondContact O-N 3.29Å
125P77.9Confident58.8Low45 Ų4574.5 Ų74.529%0.29240%0.398SS..G310 helixtrans-56.6-28.7173.1-24.833.8000113.4F70 L74 D127 L128 M129F70-P125 HydrophobicContact CB-CB 4.26Å; L74-P125 HydrophobicContact CD1-CB 4.36Å; L74-P125 HydrophobicContact CD1-CG 3.92Å; P125-D127 VanDerWaalsContact C-N 3.26Å; P125-D127 PolarHBondContact O-N 2.93Å; P125-L128 PolarHBondContact O-N 2.91Å; P125-M129 WeakPolarHBondContact O-CG 3.25Å
126T74.3Confident58.8Low101 Ų10177.8 Ų77.862%0.6241%0.413SS*.G310 helixtrans-61.7-32173.646.80000113.3Q124 L128 M129Q124-T126 VanDerWaalsContact CB-OG1 3.3Å; Q124-T126 WeakPolarHBondContact CB-OG1 3.16Å; Q124-T126 PolarHBondContact O-N 3.45Å; Q124-T126 VanDerWaalsContact O-N 3.13Å; T126-L128 PolarHBondContact O-N 2.87Å; T126-M129 WeakPolarHBondContact O-CB 3.5Å; T126-M129 PolarHBondContact O-N 3.31Å; T126-M129 VanDerWaalsContact O-N 3.13Å
127D71.8Confident58.5Low21 Ų2180.5 Ų80.511%0.11243%0.426CS..G310 helixtrans-80-9.6-173.8-45.3-21.8000111.4Y121 V123 Q124 P125 I150 W151Y121-D127 WeakPolarHBondContact CE1-OD2 3.21Å; Y121-D127 PolarHBondContact OH-OD2 2.66Å; V123-D127 HydrophobicContact CG1-CB 4.43Å; Q124-D127 WeakPolarHBondContact CB-OD2 3.49Å; Q124-D127 PolarHBondContact N-OD2 2.75Å; Q124-D127 WeakPolarHBondContact O-CB 3.48Å; Q124-D127 PolarHBondContact O-N 3.29Å; P125-D127 VanDerWaalsContact C-N 3.26Å; P125-D127 PolarHBondContact O-N 2.93Å; D127-I150 HydrophobicContact CB-CG2 4.15Å; D127-W151 WeakPolarHBondContact O-CA 3.33Å; D127-W151 VanDerWaalsContact O-CD1 3.23Å
128L71.7Confident58.2Low0 Ų085.8 Ų85.80%045%0.449CS..G310 helixtrans-102.8-0.8172.8-60.3169.6000111.9S50 F70 L74 V123 P125 T126 L158S50-L128 VanDerWaalsContact CB-O 3.23Å; S50-L128 WeakPolarHBondContact CB-O 3.32Å; S50-L128 PolarHBondContact OG-O 3.46Å; F70-L128 HydrophobicContact CB-CB 4.4Å; F70-L128 HydrophobicContact CB-CD1 4.28Å; F70-L128 HydrophobicContact CD1-CB 4.09Å; F70-L128 HydrophobicContact CD1-CD1 4Å; F70-L128 HydrophobicContact CD2-CB 4.23Å; F70-L128 HydrophobicContact CG-CB 3.96Å; F70-L128 HydrophobicContact CG-CD1 4.29Å; L74-L128 HydrophobicContact CD1-CD1 3.84Å; L74-L128 HydrophobicContact CD2-CD1 4.48Å; L74-L128 HydrophobicContact CG-CD1 4.17Å; V123-L128 HydrophobicContact CG1-CD1 4.29Å; V123-L128 HydrophobicContact CG1-CD2 4.47Å; V123-L128 HydrophobicContact CG1-CG 4.18Å; P125-L128 PolarHBondContact O-N 2.91Å; T126-L128 PolarHBondContact O-N 2.87Å; L128-L158 HydrophobicContact CD1-CD2 3.41Å; L128-L158 VanDerWaalsContact CD1-CD2 3.41Å; L128-L158 HydrophobicContact CD2-CD2 3.93Å; L128-L158 HydrophobicContact CG-CD2 4.33Å
129M65.7Low58.1Low85 Ų8586.5 Ų86.542%0.41946%0.458SS..SBendtrans-82.3-179.2172.8-63.3-88.663.400111.1F70 P125 T126 W151F70-M129 HydrophobicContact CD2-CE 3.59Å; F70-M129 HydrophobicContact CE2-CE 3.6Å; P125-M129 WeakPolarHBondContact O-CG 3.25Å; T126-M129 WeakPolarHBondContact O-CB 3.5Å; T126-M129 PolarHBondContact O-N 3.31Å; T126-M129 VanDerWaalsContact O-N 3.13Å; M129-W151 PolarHBondContact O-NE1 2.87Å
130Y56.9Low57.9Low158 Ų15883.5 Ų83.562%0.6245%0.445SS*.  trans-54.2141.3-167.8-71.3-94.3000114N132Y130-N132 PolarHBondContact O-N 2.71Å
131P54.7Low57.2Low9 Ų984.7 Ų84.76%0.05845%0.454CS..  trans-59.5137.9173.526.6-34000109.9V45 L48 S133 W151V45-P131 HydrophobicContact CG1-CB 4.06Å; V45-P131 VanDerWaalsContact O-CG 3.27Å; V45-P131 WeakPolarHBondContact O-CG 3.45Å; L48-P131 WeakPolarHBondContact O-CD 3.23Å; L48-P131 WeakPolarHBondContact O-CG 3.22Å; P131-S133 PolarHBondContact O-N 3.01Å; P131-S133 VanDerWaalsContact O-N 3.14Å; P131-W151 HydrophobicContact CB-CD2 4.23Å; P131-W151 HydrophobicContact CB-CE3 4.46Å; P131-W151 HydrophobicContact CG-CZ2 4.35Å
132N51.7Low56Low79 Ų7985 Ų8542%0.42246%0.458SS..  trans-68.9114.7-170-81.8-79.8000110.7Y130 G134 V144 N148Y130-N132 PolarHBondContact O-N 2.71Å; N132-G134 VanDerWaalsContact C-N 3.26Å; N132-G134 PolarHBondContact O-N 3.48Å; N132-V144 HydrophobicContact CB-CG1 4.4Å; N132-V144 VanDerWaalsContact O-CG1 3.31Å; N132-V144 WeakPolarHBondContact O-CG1 3.19Å; N132-N148 PolarHBondContact N-OD1 2.64Å; N132-N148 PolarHBondContact O-ND2 3.44Å
133S43.4Very low54.8Low101 Ų10184.9 Ų84.971%0.70646%0.463SS*.  trans-80.967.4-178.647.10000111.6P131 L135P131-S133 PolarHBondContact O-N 3.01Å; P131-S133 VanDerWaalsContact O-N 3.14Å; S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 3.13Å
134G40.5Very low53.5Low47 Ų4785.7 Ų85.749%0.48547%0.467SS..  trans-67.572179.800000114.5N132N132-G134 VanDerWaalsContact C-N 3.26Å; N132-G134 PolarHBondContact O-N 3.48Å
135L36Very low52.2Low155 Ų15584.8 Ų84.881%0.81246%0.463SS*.  trans-123.866.7-179.5-162.792.6000112.1S133S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 3.13Å
136Q37.6Very low51.1Low185 Ų18585.9 Ų85.986%0.86447%0.465SS*.SBendtrans-161.5-22.2158.1-124154.480.300118.9
137N37.6Very low50.4Low121 Ų12184.1 Ų84.165%0.64745%0.451SS*.  trans-131.4134.2-178.9-66.8-57.5000111.6D139 S140N137-D139 PolarHBondContact O-N 3.05Å; N137-S140 PolarHBondContact O-OG 3.4Å
138E40Very low49.8Very low182 Ų18283.8 Ų83.885%0.8545%0.449SS*.G310 helixtrans-70.5-30.4-174.9-61.1-165.8136.200112.9S140 S141E138-S140 VanDerWaalsContact C-N 3.25Å; E138-S140 PolarHBondContact O-N 3.06Å; E138-S141 PolarHBondContact O-N 3.33Å; E138-S141 PolarHBondContact O-OG 2.66Å
139D42.7Very low49.2Very low171 Ų17185.2 Ų85.291%0.91446%0.457SS*.G310 helixtrans-69-11.7-178.5-65.6-40.9000114.8N137N137-D139 PolarHBondContact O-N 3.05Å
140S46.7Very low49.1Very low46 Ų4682 Ų8232%0.32244%0.441SS..G310 helixtrans-104.64.5-179.463.90000114.9N137 E138 Q142 S143 V144N137-S140 PolarHBondContact O-OG 3.4Å; E138-S140 VanDerWaalsContact C-N 3.25Å; E138-S140 PolarHBondContact O-N 3.06Å; S140-Q142 PolarHBondContact O-N 2.88Å; S140-S143 PolarHBondContact O-N 3.22Å; S140-S143 PolarHBondContact O-OG 3.43Å; S140-S143 VanDerWaalsContact O-OG 3.08Å; S140-V144 WeakPolarHBondContact O-CG2 3.45Å; S140-V144 PolarHBondContact O-N 3.12Å
141S47.6Very low49.6Very low58 Ų5874.9 Ų74.941%0.40641%0.413SS..Hα-helixtrans-53.1-48.5-176.947.30000114.1E138 S143 V144 H145E138-S141 PolarHBondContact O-N 3.33Å; E138-S141 PolarHBondContact O-OG 2.66Å; S141-S143 PolarHBondContact O-N 3.02Å; S141-V144 PolarHBondContact O-N 3.15Å; S141-H145 PolarHBondContact O-CD2 3.13Å; S141-H145 VanDerWaalsContact O-CD2 3.3Å; S141-H145 PolarHBondContact O-CE1 3.15Å; S141-H145 VanDerWaalsContact O-CE1 3.32Å; S141-H145 VanDerWaalsContact O-CG 3.28Å; S141-H145 PolarHBondContact O-N 2.93Å; S141-H145 PolarHBondContact O-ND1 3.34Å; S141-H145 PolarHBondContact O-NE2 2.81Å
142Q45.3Very low49.8Very low71 Ų7176.2 Ų76.233%0.33242%0.419SS..Hα-helixtrans-62.8-40.5-175.6-70.3-174-43.300114.1I100 S140 H145 Q146I100-Q142 HydrophobicContact CG2-CG 4.4Å; I100-Q142 VanDerWaalsContact CG2-NE2 3.3Å; S140-Q142 PolarHBondContact O-N 2.88Å; Q142-H145 PolarHBondContact O-N 3.36Å; Q142-Q146 PolarHBondContact O-N 3.27Å
143S51.1Low50.4Low60 Ų6073.3 Ų73.342%0.4241%0.406SS..Hα-helixtrans-70.4-35.5-179.3580000111.9S140 S141 H145 Q146 L147S140-S143 PolarHBondContact O-N 3.22Å; S140-S143 PolarHBondContact O-OG 3.43Å; S140-S143 VanDerWaalsContact O-OG 3.08Å; S141-S143 PolarHBondContact O-N 3.02Å; S143-H145 VanDerWaalsContact C-N 3.31Å; S143-H145 PolarHBondContact O-N 2.86Å; S143-Q146 PolarHBondContact O-N 3.31Å; S143-L147 WeakPolarHBondContact O-CB 3.49Å; S143-L147 VanDerWaalsContact O-CG 3.3Å; S143-L147 WeakPolarHBondContact O-CG 3.32Å; S143-L147 PolarHBondContact O-N 3.32Å
144V52.1Low51.6Low21 Ų2168.5 Ų68.513%0.12737%0.372CS..Hα-helixtrans-61.7-39.4174.6174.10000111.3N132 S140 S141 N148N132-V144 HydrophobicContact CB-CG1 4.4Å; N132-V144 VanDerWaalsContact O-CG1 3.31Å; N132-V144 WeakPolarHBondContact O-CG1 3.19Å; S140-V144 WeakPolarHBondContact O-CG2 3.45Å; S140-V144 PolarHBondContact O-N 3.12Å; S141-V144 PolarHBondContact O-N 3.15Å; V144-N148 WeakPolarHBondContact O-CB 3.26Å; V144-N148 VanDerWaalsContact O-CG 3.25Å; V144-N148 PolarHBondContact O-N 3.19Å; V144-N148 PolarHBondContact O-ND2 2.95Å
145H51.5Low52.8Low65 Ų6566.3 Ų66.330%0.30135%0.35SS..Hα-helixtrans-66.8-42.1176.6-54.5-19.6000112Q42 S141 Q142 S143 N148 L149Q42-H145 PolarHBondContact NE2-CD2 2.84Å; Q42-H145 PolarHBondContact NE2-CE1 2.82Å; Q42-H145 PolarHBondContact NE2-NE2 3.32Å; Q42-H145 PolarHBondContact OE1-CE1 3.33Å; Q42-H145 PolarHBondContact OE1-NE2 3.23Å; S141-H145 PolarHBondContact O-CD2 3.13Å; S141-H145 VanDerWaalsContact O-CD2 3.3Å; S141-H145 PolarHBondContact O-CE1 3.15Å; S141-H145 VanDerWaalsContact O-CE1 3.32Å; S141-H145 VanDerWaalsContact O-CG 3.28Å; S141-H145 PolarHBondContact O-N 2.93Å; S141-H145 PolarHBondContact O-ND1 3.34Å; S141-H145 PolarHBondContact O-NE2 2.81Å; Q142-H145 PolarHBondContact O-N 3.36Å; S143-H145 VanDerWaalsContact C-N 3.31Å; S143-H145 PolarHBondContact O-N 2.86Å; H145-N148 PolarHBondContact O-N 3.11Å; H145-L149 WeakPolarHBondContact O-CB 3.43Å; H145-L149 PolarHBondContact O-N 3.44Å
146Q54.5Low54.2Low68 Ų6863 Ų6332%0.31833%0.332SS..Hα-helixtrans-65.3-41.2177.4-170.5174.90.400112Q142 S143 L149 I150Q142-Q146 PolarHBondContact O-N 3.27Å; S143-Q146 PolarHBondContact O-N 3.31Å; Q146-L149 WeakPolarHBondContact O-CB 3.36Å; Q146-L149 PolarHBondContact O-N 3.02Å; Q146-I150 HydrophobicContact CG-CD1 4.34Å; Q146-I150 WeakPolarHBondContact O-CG1 3.41Å; Q146-I150 PolarHBondContact O-N 2.97Å
147L59.9Low55.6Low63 Ų6354.4 Ų54.433%0.3329%0.292SS..Hα-helixtrans-64.1-42.1174.7-72.1164.4000112.1S143 L149 I150 W151S143-L147 WeakPolarHBondContact O-CB 3.49Å; S143-L147 VanDerWaalsContact O-CG 3.3Å; S143-L147 WeakPolarHBondContact O-CG 3.32Å; S143-L147 PolarHBondContact O-N 3.32Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 PolarHBondContact O-N 3.42Å; L147-I150 PolarHBondContact O-N 3.43Å; L147-W151 WeakPolarHBondContact O-CB 3.2Å; L147-W151 PolarHBondContact O-N 2.93Å
148N58.2Low57.2Low15 Ų1548.6 Ų48.68%0.0826%0.262CS..Hα-helixtrans-69.4-25.5177-73.9-11.9000113V45 N132 V144 H145 L152V45-N148 HydrophobicContact CG1-CB 3.99Å; N132-N148 PolarHBondContact N-OD1 2.64Å; N132-N148 PolarHBondContact O-ND2 3.44Å; V144-N148 WeakPolarHBondContact O-CB 3.26Å; V144-N148 VanDerWaalsContact O-CG 3.25Å; V144-N148 PolarHBondContact O-N 3.19Å; V144-N148 PolarHBondContact O-ND2 2.95Å; H145-N148 PolarHBondContact O-N 3.11Å; N148-L152 PolarHBondContact O-N 2.8Å
149L59.4Low58.5Low30 Ų3040.6 Ų40.616%0.15723%0.225CC..Hα-helixtrans-73.2-47.1170.6-170.784.5000111.7Y96 H145 Q146 L147 W151 L152 A153Y96-L149 HydrophobicContact CD1-CD1 3.79Å; Y96-L149 HydrophobicContact CD1-CD2 3.98Å; Y96-L149 HydrophobicContact CD2-CD1 4.31Å; Y96-L149 HydrophobicContact CD2-CD2 3.51Å; Y96-L149 HydrophobicContact CD2-CG 4.48Å; Y96-L149 HydrophobicContact CE1-CD1 3.61Å; Y96-L149 HydrophobicContact CE1-CD2 4.46Å; Y96-L149 HydrophobicContact CE2-CD1 4.17Å; Y96-L149 HydrophobicContact CE2-CD2 4.06Å; Y96-L149 HydrophobicContact CG-CD1 4.13Å; Y96-L149 HydrophobicContact CG-CD2 3.46Å; Y96-L149 VanDerWaalsContact CG-CD2 3.46Å; Y96-L149 HydrophobicContact CG-CG 4.45Å; H145-L149 WeakPolarHBondContact O-CB 3.43Å; H145-L149 PolarHBondContact O-N 3.44Å; Q146-L149 WeakPolarHBondContact O-CB 3.36Å; Q146-L149 PolarHBondContact O-N 3.02Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 PolarHBondContact O-N 3.42Å; L149-W151 VanDerWaalsContact C-N 3.28Å; L149-W151 PolarHBondContact O-N 3.42Å; L149-L152 PolarHBondContact O-N 3.08Å; L149-A153 WeakPolarHBondContact O-CB 3.27Å; L149-A153 PolarHBondContact O-N 2.99Å
150I63.1Low59.7Low17 Ų1734.1 Ų34.19%0.08719%0.189CC..Hα-helixtrans-55-48.3174.1-71.5161.8000109.6L88 L93 Y121 D127 Q146 L147 L152 A153 S154L88-I150 HydrophobicContact CD1-CG2 4.33Å; L93-I150 HydrophobicContact CD2-CD1 4.4Å; L93-I150 HydrophobicContact CD2-CG1 3.71Å; Y121-I150 HydrophobicContact CE1-CG2 4.06Å; D127-I150 HydrophobicContact CB-CG2 4.15Å; Q146-I150 HydrophobicContact CG-CD1 4.34Å; Q146-I150 WeakPolarHBondContact O-CG1 3.41Å; Q146-I150 PolarHBondContact O-N 2.97Å; L147-I150 PolarHBondContact O-N 3.43Å; I150-L152 PolarHBondContact O-N 3.16Å; I150-A153 PolarHBondContact O-N 2.8Å; I150-S154 WeakPolarHBondContact O-CB 3.2Å; I150-S154 PolarHBondContact O-N 3.43Å; I150-S154 PolarHBondContact O-OG 3.47Å; I150-S154 VanDerWaalsContact O-OG 3.06Å
151W68.6Low60.9Low8 Ų832.6 Ų32.63%0.0318%0.177CC..Hα-helixtrans-53.7-50.1176.4175.684.6000113.2V45 L48 L53 D127 M129 P131 L147 L149 A153 S154 H155V45-W151 HydrophobicContact CG1-CE3 3.92Å; V45-W151 HydrophobicContact CG1-CZ3 3.84Å; L48-W151 HydrophobicContact CB-CH2 3.44Å; L48-W151 VanDerWaalsContact CB-CH2 3.44Å; L48-W151 HydrophobicContact CB-CZ2 3.95Å; L48-W151 HydrophobicContact CB-CZ3 4.43Å; L48-W151 HydrophobicContact CD1-CH2 4.07Å; L48-W151 HydrophobicContact CD1-CZ3 4.32Å; L48-W151 HydrophobicContact CD2-CH2 4.01Å; L48-W151 HydrophobicContact CG-CH2 4.02Å; L53-W151 HydrophobicContact CD1-CH2 3.38Å; L53-W151 HydrophobicContact CD1-CZ2 3.58Å; L53-W151 HydrophobicContact CD1-CZ3 4.27Å; D127-W151 WeakPolarHBondContact O-CA 3.33Å; D127-W151 VanDerWaalsContact O-CD1 3.23Å; M129-W151 PolarHBondContact O-NE1 2.87Å; P131-W151 HydrophobicContact CB-CD2 4.23Å; P131-W151 HydrophobicContact CB-CE3 4.46Å; P131-W151 HydrophobicContact CG-CZ2 4.35Å; L147-W151 WeakPolarHBondContact O-CB 3.2Å; L147-W151 PolarHBondContact O-N 2.93Å; L149-W151 VanDerWaalsContact C-N 3.28Å; L149-W151 PolarHBondContact O-N 3.42Å; W151-A153 PolarHBondContact O-N 3.26Å; W151-S154 PolarHBondContact O-N 3.47Å; W151-H155 AromaticContact CD1-CD2 3.95Å; W151-H155 AromaticContact CD2-CD2 3.9Å; W151-H155 AromaticContact CE2-CD2 3.47Å; W151-H155 VanDerWaalsContact CE2-CD2 3.47Å; W151-H155 AromaticContact CE2-NE2 3.47Å; W151-H155 AromaticContact CZ2-CD2 3.8Å; W151-H155 AromaticContact CZ2-NE2 3.64Å; W151-H155 AromaticContact NE1-CD2 3.51Å; W151-H155 AromaticContact NE1-NE2 3.27Å; W151-H155 PolarHBondContact NE1-NE2 3.47Å; W151-H155 PolarHBondContact O-CD2 2.73Å; W151-H155 PolarHBondContact O-N 3.03Å
152L59.1Low62Low38 Ų3830 Ų3020%0.19916%0.158CC..Hα-helixtrans-64.2-42178.7-178.961.1000111.6I40 N148 L149 I150 H155 I156I40-L152 HydrophobicContact CD1-CD2 4.5Å; N148-L152 PolarHBondContact O-N 2.8Å; L149-L152 PolarHBondContact O-N 3.08Å; I150-L152 PolarHBondContact O-N 3.16Å; L152-H155 PolarHBondContact O-N 2.82Å; L152-I156 HydrophobicContact CD1-CD1 4.19Å; L152-I156 HydrophobicContact CG-CD1 3.98Å; L152-I156 VanDerWaalsContact O-CG1 3.28Å; L152-I156 WeakPolarHBondContact O-CG1 3.34Å; L152-I156 PolarHBondContact O-N 2.99Å
153A62.9Low63.1Low17 Ų1726.9 Ų26.914%0.1414%0.144CC..Hα-helixtrans-65-42.8177.700000112.1L88 L149 I150 W151 I156 A157L88-A153 HydrophobicContact CD1-CB 3.82Å; L88-A153 HydrophobicContact CD2-CB 3.98Å; L149-A153 WeakPolarHBondContact O-CB 3.27Å; L149-A153 PolarHBondContact O-N 2.99Å; I150-A153 PolarHBondContact O-N 2.8Å; W151-A153 PolarHBondContact O-N 3.26Å; A153-I156 PolarHBondContact O-N 3.49Å; A153-A157 WeakPolarHBondContact O-CB 3.3Å; A153-A157 PolarHBondContact O-N 2.9Å
154S68.8Low64.1Low0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-59.3-45.5175-68.60000111.8I150 W151 L158I150-S154 WeakPolarHBondContact O-CB 3.2Å; I150-S154 PolarHBondContact O-N 3.43Å; I150-S154 PolarHBondContact O-OG 3.47Å; I150-S154 VanDerWaalsContact O-OG 3.06Å; W151-S154 PolarHBondContact O-N 3.47Å; S154-L158 VanDerWaalsContact O-CB 3.26Å; S154-L158 WeakPolarHBondContact O-CB 3.16Å; S154-L158 PolarHBondContact O-N 3.12Å
155H67.3Low64.9Low2 Ų226.2 Ų26.21%0.00913%0.132CC..Hα-helixtrans-62.8-43.7173.9-86.7-80.4000112.6L53 Y54 W151 L152 L158 I159L53-H155 HydrophobicContact CD1-CB 4.19Å; Y54-H155 AromaticContact CD2-CE1 3.88Å; Y54-H155 AromaticContact CE2-CE1 3.35Å; Y54-H155 WeakPolarHBondContact CE2-CE1 3.42Å; Y54-H155 AromaticContact CE2-ND1 3.36Å; Y54-H155 WeakPolarHBondContact CE2-ND1 3.45Å; Y54-H155 AromaticContact CZ-ND1 3.94Å; W151-H155 AromaticContact CD1-CD2 3.95Å; W151-H155 AromaticContact CD2-CD2 3.9Å; W151-H155 AromaticContact CE2-CD2 3.47Å; W151-H155 VanDerWaalsContact CE2-CD2 3.47Å; W151-H155 AromaticContact CE2-NE2 3.47Å; W151-H155 AromaticContact CZ2-CD2 3.8Å; W151-H155 AromaticContact CZ2-NE2 3.64Å; W151-H155 AromaticContact NE1-CD2 3.51Å; W151-H155 AromaticContact NE1-NE2 3.27Å; W151-H155 PolarHBondContact NE1-NE2 3.47Å; W151-H155 PolarHBondContact O-CD2 2.73Å; W151-H155 PolarHBondContact O-N 3.03Å; L152-H155 PolarHBondContact O-N 2.82Å; H155-L158 PolarHBondContact O-N 3.08Å; H155-I159 VanDerWaalsContact O-CD1 3.29Å; H155-I159 WeakPolarHBondContact O-CD1 3.02Å; H155-I159 WeakPolarHBondContact O-CG1 2.95Å; H155-I159 PolarHBondContact O-N 2.85Å
156I64.7Low66Low84 Ų8424.9 Ų24.943%0.43113%0.125SC..Hα-helixtrans-62.3-48.8177.8-70.7165.1000111L152 A153 L158 I159 E160L152-I156 HydrophobicContact CD1-CD1 4.19Å; L152-I156 HydrophobicContact CG-CD1 3.98Å; L152-I156 VanDerWaalsContact O-CG1 3.28Å; L152-I156 WeakPolarHBondContact O-CG1 3.34Å; L152-I156 PolarHBondContact O-N 2.99Å; A153-I156 PolarHBondContact O-N 3.49Å; I156-L158 VanDerWaalsContact C-N 3.32Å; I156-L158 PolarHBondContact O-N 3.5Å; I156-I159 PolarHBondContact O-N 2.83Å; I156-E160 PolarHBondContact O-N 2.88Å
157A67Low67.1Low5 Ų521.7 Ų21.74%0.04111%0.11CC..Hα-helixtrans-63.4-38.6-178.800000111.7L86 L88 A153 E160 M161L86-A157 HydrophobicContact CD1-CB 3.82Å; L86-A157 HydrophobicContact CD2-CB 4.36Å; L86-A157 HydrophobicContact CG-CB 4.3Å; L88-A157 HydrophobicContact CD2-CB 3.81Å; A153-A157 WeakPolarHBondContact O-CB 3.3Å; A153-A157 PolarHBondContact O-N 2.9Å; A157-E160 PolarHBondContact O-N 2.89Å; A157-M161 WeakPolarHBondContact O-CB 3.14Å; A157-M161 PolarHBondContact O-N 2.89Å
158L71.5Confident68.1Low0 Ų022.2 Ų22.20%011%0.113CC..Hα-helixtrans-66.2-41.1175.7-175.746.3000111.9Y54 L73 L77 L86 L128 S154 H155 I156 M161 I162Y54-L158 WeakPolarHBondContact OH-CD2 3.41Å; Y54-L158 VanDerWaalsContact OH-CG 3.24Å; Y54-L158 WeakPolarHBondContact OH-CG 3.48Å; L73-L158 HydrophobicContact CD2-CD2 4.17Å; L77-L158 HydrophobicContact CD1-CD1 3.41Å; L77-L158 VanDerWaalsContact CD1-CD1 3.41Å; L86-L158 HydrophobicContact CD2-CB 3.65Å; L86-L158 HydrophobicContact CD2-CD1 4.2Å; L86-L158 HydrophobicContact CD2-CG 4.39Å; L128-L158 HydrophobicContact CD1-CD2 3.41Å; L128-L158 VanDerWaalsContact CD1-CD2 3.41Å; L128-L158 HydrophobicContact CD2-CD2 3.93Å; L128-L158 HydrophobicContact CG-CD2 4.33Å; S154-L158 VanDerWaalsContact O-CB 3.26Å; S154-L158 WeakPolarHBondContact O-CB 3.16Å; S154-L158 PolarHBondContact O-N 3.12Å; H155-L158 PolarHBondContact O-N 3.08Å; I156-L158 VanDerWaalsContact C-N 3.32Å; I156-L158 PolarHBondContact O-N 3.5Å; L158-M161 HydrophobicContact CD1-CE 3.61Å; L158-M161 PolarHBondContact O-N 3.27Å; L158-I162 HydrophobicContact CD1-CD1 3.83Å; L158-I162 HydrophobicContact CD1-CG1 4.15Å; L158-I162 HydrophobicContact CG-CD1 3.97Å; L158-I162 WeakPolarHBondContact O-CB 3.41Å; L158-I162 WeakPolarHBondContact O-CD1 3.48Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.22Å; L158-I162 PolarHBondContact O-N 3.09Å
159I66.8Low69Low14 Ų1426.3 Ų26.37%0.07214%0.135CC..Hα-helixtrans-63.6-42.8173.3-67.2159.2000111.3L2 T6 F10 H155 I156 I162 L163L2-I159 HydrophobicContact CD1-CD1 3.77Å; L2-I159 HydrophobicContact CD1-CG1 3.88Å; T6-I159 HydrophobicContact CG2-CD1 3.76Å; T6-I159 HydrophobicContact CG2-CG1 4.35Å; T6-I159 HydrophobicContact CG2-CG2 4.19Å; F10-I159 HydrophobicContact CE2-CG2 4.12Å; F10-I159 HydrophobicContact CZ-CG2 3.86Å; H155-I159 VanDerWaalsContact O-CD1 3.29Å; H155-I159 WeakPolarHBondContact O-CD1 3.02Å; H155-I159 WeakPolarHBondContact O-CG1 2.95Å; H155-I159 PolarHBondContact O-N 2.85Å; I156-I159 PolarHBondContact O-N 2.83Å; I159-I162 PolarHBondContact O-N 2.98Å; I159-L163 HydrophobicContact CG2-CD1 4.27Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 WeakPolarHBondContact O-CG 3.13Å; I159-L163 PolarHBondContact O-N 3.02Å
160E68.7Low69.9Low35 Ų3526.3 Ų26.316%0.16414%0.136CC..Hα-helixtrans-60.9-45.6175.3-79.1-136.7-165.800112I156 A157 L163 R164 L370I156-E160 PolarHBondContact O-N 2.88Å; A157-E160 PolarHBondContact O-N 2.89Å; E160-L163 PolarHBondContact O-N 3.19Å; E160-R164 WeakPolarHBondContact O-CB 3.45Å; E160-R164 WeakPolarHBondContact O-CD 3.43Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.11Å; E160-R164 IonicContact OE2-CZ 2.79Å; E160-R164 IonicContact OE2-NE 2.66Å; E160-R164 PolarHBondContact OE2-NE 3.22Å; E160-R164 IonicContact OE2-NH2 2.6Å; E160-R164 PolarHBondContact OE2-NH2 3.18Å; E160-L370 HydrophobicContact CB-CD2 3.88Å; E160-L370 HydrophobicContact CG-CD2 3.68Å
161M70.6Confident71Confident13 Ų1325.5 Ų25.56%0.06413%0.132CC..Hα-helixtrans-60.9-48.2177.7-176.4169.562.400111.2L77 L86 A157 L158 L163 R164 T165 I517L77-M161 HydrophobicContact CB-CE 3.64Å; L77-M161 HydrophobicContact CB-SD 4.44Å; L77-M161 HydrophobicContact CD1-CE 3.98Å; L77-M161 HydrophobicContact CG-CE 4.38Å; L86-M161 HydrophobicContact CB-CE 3.94Å; L86-M161 HydrophobicContact CB-SD 4.37Å; L86-M161 HydrophobicContact CD1-CB 4.23Å; L86-M161 HydrophobicContact CD1-CE 3.97Å; L86-M161 HydrophobicContact CD1-SD 4.03Å; L86-M161 HydrophobicContact CD2-CE 4.21Å; L86-M161 HydrophobicContact CG-CE 4.26Å; A157-M161 WeakPolarHBondContact O-CB 3.14Å; A157-M161 PolarHBondContact O-N 2.89Å; L158-M161 HydrophobicContact CD1-CE 3.61Å; L158-M161 PolarHBondContact O-N 3.27Å; M161-L163 PolarHBondContact O-N 3.41Å; M161-R164 PolarHBondContact O-N 3.33Å; M161-R164 VanDerWaalsContact O-N 3.17Å; M161-T165 PolarHBondContact O-N 3.27Å; M161-T165 PolarHBondContact O-OG1 3.35Å; M161-T165 VanDerWaalsContact O-OG1 3.14Å; M161-I517 HydrophobicContact CB-CD1 4.35Å
162I70.3Confident71.9Confident5 Ų527.4 Ų27.43%0.02614%0.144CC..Hα-helixtrans-58.7-46177.9-74.5167.6000111.7V57 I61 L63 L77 L158 I159 R164 T165 Y166V57-I162 HydrophobicContact CB-CG2 4.21Å; V57-I162 HydrophobicContact CG1-CG2 3.89Å; V57-I162 HydrophobicContact CG2-CG2 4.45Å; I61-I162 HydrophobicContact CD1-CG2 3.24Å; L63-I162 HydrophobicContact CD1-CG2 4.19Å; L77-I162 HydrophobicContact CD1-CD1 3.94Å; L77-I162 HydrophobicContact CD1-CG1 3.61Å; L77-I162 HydrophobicContact CD2-CG1 4.1Å; L158-I162 HydrophobicContact CD1-CD1 3.83Å; L158-I162 HydrophobicContact CD1-CG1 4.15Å; L158-I162 HydrophobicContact CG-CD1 3.97Å; L158-I162 WeakPolarHBondContact O-CB 3.41Å; L158-I162 WeakPolarHBondContact O-CD1 3.48Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.22Å; L158-I162 PolarHBondContact O-N 3.09Å; I159-I162 PolarHBondContact O-N 2.98Å; I162-R164 VanDerWaalsContact C-N 3.35Å; I162-R164 PolarHBondContact O-N 2.84Å; I162-T165 PolarHBondContact O-N 2.64Å; I162-Y166 PolarHBondContact O-N 3.06Å
163L68.6Low73.2Confident5 Ų527.4 Ų27.43%0.02615%0.147CC..Hα-helixtrans-63.8-37.9175.8-76.3177.5000112.8F10 I159 E160 M161 L167 L370 A374F10-L163 HydrophobicContact CE1-CD1 4.27Å; F10-L163 HydrophobicContact CZ-CD1 3.9Å; I159-L163 HydrophobicContact CG2-CD1 4.27Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 WeakPolarHBondContact O-CG 3.13Å; I159-L163 PolarHBondContact O-N 3.02Å; E160-L163 PolarHBondContact O-N 3.19Å; M161-L163 PolarHBondContact O-N 3.41Å; L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 3.02Å; L163-L370 HydrophobicContact CB-CD2 4.11Å; L163-L370 HydrophobicContact CB-CG 4.34Å; L163-L370 HydrophobicContact CD1-CD2 4.06Å; L163-L370 HydrophobicContact CD1-CG 4.17Å; L163-A374 HydrophobicContact CD2-CB 4.45Å
164R72.6Confident74.3Confident45 Ų4530.3 Ų30.317%0.1716%0.162CC..Hα-helixtrans-66-43.9177.3-72.7163.5-171.7-77.8-1.9110.9E160 M161 I162 L167 L168 L370E160-R164 WeakPolarHBondContact O-CB 3.45Å; E160-R164 WeakPolarHBondContact O-CD 3.43Å; E160-R164 WeakPolarHBondContact O-CG 3.47Å; E160-R164 PolarHBondContact O-N 3.11Å; E160-R164 IonicContact OE2-CZ 2.79Å; E160-R164 IonicContact OE2-NE 2.66Å; E160-R164 PolarHBondContact OE2-NE 3.22Å; E160-R164 IonicContact OE2-NH2 2.6Å; E160-R164 PolarHBondContact OE2-NH2 3.18Å; M161-R164 PolarHBondContact O-N 3.33Å; M161-R164 VanDerWaalsContact O-N 3.17Å; I162-R164 VanDerWaalsContact C-N 3.35Å; I162-R164 PolarHBondContact O-N 2.84Å; R164-L167 PolarHBondContact O-N 3.18Å; R164-L168 WeakPolarHBondContact O-CB 3.45Å; R164-L168 PolarHBondContact O-N 3.19Å; R164-L370 HydrophobicContact CG-CD1 3.97Å; R164-L370 HydrophobicContact CG-CD2 4.37Å
165T69.8Low75.3Confident22 Ų2232.8 Ų32.814%0.13518%0.177CC..Hα-helixtrans-63.7-45.5176-570000111.6F80 M161 I162 L167 L168 N169F80-T165 HydrophobicContact CB-CG2 4.25Å; M161-T165 PolarHBondContact O-N 3.27Å; M161-T165 PolarHBondContact O-OG1 3.35Å; M161-T165 VanDerWaalsContact O-OG1 3.14Å; I162-T165 PolarHBondContact O-N 2.64Å; T165-L167 PolarHBondContact O-N 3.49Å; T165-L168 WeakPolarHBondContact O-CB 3.23Å; T165-L168 PolarHBondContact O-N 3.19Å; T165-N169 VanDerWaalsContact O-CG 3.29Å; T165-N169 PolarHBondContact O-N 3.42Å; T165-N169 PolarHBondContact O-OD1 2.83Å
166Y73.8Confident76.4Confident37 Ų3732.7 Ų32.715%0.14518%0.177CC..Hα-helixtrans-55.5-53.9173.5167-103000111.6I61 I162 L168 N169 T170 E378I61-Y166 HydrophobicContact CD1-CG 4.34Å; I61-Y166 HydrophobicContact CG1-CD2 4.13Å; I61-Y166 HydrophobicContact CG1-CG 4.08Å; I61-Y166 HydrophobicContact CG2-CD2 4.14Å; I162-Y166 PolarHBondContact O-N 3.06Å; Y166-L168 VanDerWaalsContact C-N 3.29Å; Y166-L168 PolarHBondContact O-N 2.83Å; Y166-N169 PolarHBondContact O-N 3.17Å; Y166-T170 WeakPolarHBondContact CE2-OG1 3.45Å; Y166-T170 WeakPolarHBondContact O-CB 3.45Å; Y166-T170 PolarHBondContact O-N 3.32Å; Y166-T170 PolarHBondContact O-OG1 3.35Å; Y166-E378 PolarHBondContact OH-OE1 2.63Å
167L78.3Confident77.4Confident0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-61.2-37.8179.4-75.4167.5000112.3L163 R164 T165 N169 T170 I171 G198 A199 A202 L370 A373L163-L167 WeakPolarHBondContact O-CB 3.44Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 3.02Å; R164-L167 PolarHBondContact O-N 3.18Å; T165-L167 PolarHBondContact O-N 3.49Å; L167-N169 VanDerWaalsContact C-N 3.34Å; L167-T170 PolarHBondContact O-N 2.94Å; L167-I171 HydrophobicContact CD2-CD1 4.16Å; L167-I171 PolarHBondContact O-N 3.4Å; L167-G198 WeakPolarHBondContact O-CA 3.46Å; L167-A199 HydrophobicContact CD1-CB 3.89Å; L167-A202 HydrophobicContact CD2-CB 4.47Å; L167-L370 HydrophobicContact CD1-CD1 4.19Å; L167-A373 HydrophobicContact CD1-CB 3.98Å
168L79.3Confident78.4Confident74 Ų7433.4 Ų33.439%0.38718%0.181SC..Hα-helixtrans-61.8-41.4178.8-170.370.1000112.2R164 T165 Y166 Q197R164-L168 WeakPolarHBondContact O-CB 3.45Å; R164-L168 PolarHBondContact O-N 3.19Å; T165-L168 WeakPolarHBondContact O-CB 3.23Å; T165-L168 PolarHBondContact O-N 3.19Å; Y166-L168 VanDerWaalsContact C-N 3.29Å; Y166-L168 PolarHBondContact O-N 2.83Å; L168-Q197 HydrophobicContact CD1-CB 4.48Å; L168-Q197 HydrophobicContact CD1-CG 3.78Å
169N77.5Confident79.2Confident102 Ų10233.6 Ų33.655%0.54518%0.182SC..Hα-helixtrans-71.7-39.8177.4-65.2-6.2000111.3T165 Y166 L167T165-N169 VanDerWaalsContact O-CG 3.29Å; T165-N169 PolarHBondContact O-N 3.42Å; T165-N169 PolarHBondContact O-OD1 2.83Å; Y166-N169 PolarHBondContact O-N 3.17Å; L167-N169 VanDerWaalsContact C-N 3.34Å
170T77.9Confident80.3Confident30 Ų3032.9 Ų32.918%0.18418%0.179CC..Hα-helixtrans-71.3-36.2-180-60.70000113.3Y166 L167 V381Y166-T170 WeakPolarHBondContact CE2-OG1 3.45Å; Y166-T170 WeakPolarHBondContact O-CB 3.45Å; Y166-T170 PolarHBondContact O-N 3.32Å; Y166-T170 PolarHBondContact O-OG1 3.35Å; L167-T170 PolarHBondContact O-N 2.94Å; T170-V381 HydrophobicContact CG2-CG2 3.29Å
171I87.2Confident81.1Confident0 Ų032.2 Ų32.20%018%0.178CC..SBendtrans-123.670.9-172.4-48.6176.2000109.4L167 L176 Q197 G198 A202 F380L167-I171 HydrophobicContact CD2-CD1 4.16Å; L167-I171 PolarHBondContact O-N 3.4Å; I171-L176 HydrophobicContact CG2-CB 4.2Å; I171-L176 HydrophobicContact CG2-CD1 4.36Å; I171-Q197 WeakPolarHBondContact O-CA 3.29Å; I171-G198 PolarHBondContact O-N 2.78Å; I171-A202 HydrophobicContact CD1-CB 3.4Å; I171-F380 HydrophobicContact CD1-CB 4.4Å; I171-F380 HydrophobicContact CD1-CD1 4.44Å; I171-F380 HydrophobicContact CD1-CG 4.31Å; I171-F380 HydrophobicContact CG1-CD1 3.94Å; I171-F380 HydrophobicContact CG1-CE1 4.18Å; I171-F380 HydrophobicContact CG1-CG 4.28Å; I171-F380 HydrophobicContact CG2-CE2 4.49Å; I171-F380 HydrophobicContact CG2-CZ 4.38Å
172T87.2Confident81.7Confident48 Ų4834.5 Ų34.529%0.29419%0.19SC..  trans-67.4159.7168.765.40000111V174 T175 L176T172-V174 VanDerWaalsContact C-N 3.25Å; T172-V174 PolarHBondContact O-N 2.64Å; T172-T175 PolarHBondContact N-OG1 2.91Å; T172-T175 VanDerWaalsContact N-OG1 3.12Å; T172-T175 PolarHBondContact O-N 3.5Å; T172-T175 PolarHBondContact O-OG1 3.39Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.37Å; T172-T175 PolarHBondContact OG1-N 2.87Å; T172-T175 PolarHBondContact OG1-OG1 3.01Å; T172-L176 WeakPolarHBondContact O-CB 3.41Å; T172-L176 PolarHBondContact O-N 3.42Å
173P86Confident82.4Confident38 Ų3834.2 Ų34.225%0.24719%0.188CC..Hα-helixtrans-53.3-42.5172-27.335.5000112.6L176 I177 Q197P173-L176 PolarHBondContact O-N 3.06Å; P173-I177 HydrophobicContact CB-CD1 4.49Å; P173-I177 WeakPolarHBondContact O-CB 3.35Å; P173-I177 WeakPolarHBondContact O-CD1 3.39Å; P173-I177 WeakPolarHBondContact O-CG1 3.24Å; P173-I177 PolarHBondContact O-N 3.12Å; P173-Q197 HydrophobicContact CG-CB 4.23Å
174V86.1Confident83Confident77 Ų7734.1 Ų34.147%0.46719%0.188SC..Hα-helixtrans-64-48.9-178.1-177.90000112.1T172 L176 I177 N178T172-V174 VanDerWaalsContact C-N 3.25Å; T172-V174 PolarHBondContact O-N 2.64Å; V174-L176 VanDerWaalsContact C-N 3.31Å; V174-L176 PolarHBondContact O-N 2.72Å; V174-I177 PolarHBondContact O-N 3.35Å; V174-N178 VanDerWaalsContact O-CG 3.27Å; V174-N178 PolarHBondContact O-N 2.87Å
175T89.3Confident83.2Confident52 Ų5233 Ų3332%0.31919%0.19SC..Hα-helixtrans-63.2-39.7177.752.30000111.3T172 N178 A179T172-T175 PolarHBondContact N-OG1 2.91Å; T172-T175 VanDerWaalsContact N-OG1 3.12Å; T172-T175 PolarHBondContact O-N 3.5Å; T172-T175 PolarHBondContact O-OG1 3.39Å; T172-T175 WeakPolarHBondContact OG1-CG2 3.37Å; T172-T175 PolarHBondContact OG1-N 2.87Å; T172-T175 PolarHBondContact OG1-OG1 3.01Å; T175-N178 PolarHBondContact O-N 3.47Å; T175-A179 WeakPolarHBondContact O-CB 3.1Å; T175-A179 PolarHBondContact O-N 3.04Å
176L90.3Very high83.6Confident0 Ų032.9 Ų32.90%019%0.19CC..Hα-helixtrans-63.7-45175.7-177.662.3000112.4I171 T172 P173 V174 N178 A179 L180 I193 L196 W205 F380I171-L176 HydrophobicContact CG2-CB 4.2Å; I171-L176 HydrophobicContact CG2-CD1 4.36Å; T172-L176 WeakPolarHBondContact O-CB 3.41Å; T172-L176 PolarHBondContact O-N 3.42Å; P173-L176 PolarHBondContact O-N 3.06Å; V174-L176 VanDerWaalsContact C-N 3.31Å; V174-L176 PolarHBondContact O-N 2.72Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.39Å; L176-A179 PolarHBondContact O-N 2.93Å; L176-L180 HydrophobicContact CD1-CD1 3.78Å; L176-L180 HydrophobicContact CD1-CG 4.1Å; L176-L180 HydrophobicContact CG-CD1 3.76Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.06Å; L176-I193 HydrophobicContact CD2-CG2 4.01Å; L176-L196 HydrophobicContact CD2-CB 4.18Å; L176-L196 VanDerWaalsContact CD2-O 3.32Å; L176-L196 WeakPolarHBondContact CD2-O 3.36Å; L176-W205 HydrophobicContact CD1-CB 3.8Å; L176-F380 HydrophobicContact CD1-CE2 4.38Å
177I87.6Confident83.7Confident12 Ų1239.4 Ų39.46%0.06222%0.222CC..Hα-helixtrans-60.1-43.8176.2-72155.6000110.9P173 V174 L180 S181 L188 E190 I193P173-I177 HydrophobicContact CB-CD1 4.49Å; P173-I177 WeakPolarHBondContact O-CB 3.35Å; P173-I177 WeakPolarHBondContact O-CD1 3.39Å; P173-I177 WeakPolarHBondContact O-CG1 3.24Å; P173-I177 PolarHBondContact O-N 3.12Å; V174-I177 PolarHBondContact O-N 3.35Å; I177-L180 PolarHBondContact O-N 3.03Å; I177-S181 WeakPolarHBondContact O-CB 3.26Å; I177-S181 PolarHBondContact O-N 3.5Å; I177-S181 PolarHBondContact O-OG 2.99Å; I177-L188 HydrophobicContact CG2-CB 4.4Å; I177-E190 HydrophobicContact CD1-CB 3.88Å; I177-E190 HydrophobicContact CD1-CG 3.81Å; I177-I193 HydrophobicContact CG1-CB 4.48Å; I177-I193 HydrophobicContact CG1-CD1 3.87Å; I177-I193 HydrophobicContact CG1-CG1 4.37Å
178N86.4Confident83.8Confident93 Ų9339.7 Ų39.750%0.49722%0.223SC..Hα-helixtrans-63.6-49.2178.9-69.2-10.6000111V174 T175 L176 L180 S181 I182V174-N178 VanDerWaalsContact O-CG 3.27Å; V174-N178 PolarHBondContact O-N 2.87Å; T175-N178 PolarHBondContact O-N 3.47Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.39Å; N178-L180 PolarHBondContact O-N 2.87Å; N178-S181 PolarHBondContact O-N 3.3Å; N178-I182 WeakPolarHBondContact O-CG1 3.43Å; N178-I182 PolarHBondContact O-N 2.87Å; N178-I182 VanDerWaalsContact O-N 3.15Å
179A88.8Confident83.5Confident3 Ų343.7 Ų43.73%0.02524%0.237CC..Hα-helixtrans-58.6-45.6176.900000112.3T175 L176 I182 I183 F380 T384T175-A179 WeakPolarHBondContact O-CB 3.1Å; T175-A179 PolarHBondContact O-N 3.04Å; L176-A179 PolarHBondContact O-N 2.93Å; A179-I182 PolarHBondContact O-N 3.03Å; A179-I183 VanDerWaalsContact O-CD1 3.3Å; A179-I183 WeakPolarHBondContact O-CD1 3.4Å; A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.4Å; A179-I183 PolarHBondContact O-N 3.43Å; A179-I183 VanDerWaalsContact O-N 3.13Å; A179-F380 HydrophobicContact CB-CE2 3.63Å; A179-F380 HydrophobicContact CB-CZ 4.09Å; A179-T384 HydrophobicContact CB-CG2 3.73Å
180L89.6Confident82.9Confident0 Ų044.9 Ų44.90%024%0.24CC..Hα-helixtrans-69.3-31.8179.1-68.3172.1000112.9L176 I177 N178 I182 I183 T184 L188 I193 F204 T208 L230L176-L180 HydrophobicContact CD1-CD1 3.78Å; L176-L180 HydrophobicContact CD1-CG 4.1Å; L176-L180 HydrophobicContact CG-CD1 3.76Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.48Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.06Å; I177-L180 PolarHBondContact O-N 3.03Å; N178-L180 PolarHBondContact O-N 2.87Å; L180-I182 VanDerWaalsContact C-N 3.34Å; L180-I183 HydrophobicContact CD2-CD1 4.19Å; L180-I183 PolarHBondContact O-N 3.37Å; L180-T184 WeakPolarHBondContact O-CB 3.27Å; L180-T184 VanDerWaalsContact O-CG2 3.29Å; L180-T184 WeakPolarHBondContact O-CG2 3.28Å; L180-T184 PolarHBondContact O-N 3.33Å; L180-T184 PolarHBondContact O-OG1 2.71Å; L180-L188 HydrophobicContact CB-CD1 3.59Å; L180-I193 HydrophobicContact CD1-CD1 3.66Å; L180-F204 HydrophobicContact CD1-CD1 4.2Å; L180-F204 HydrophobicContact CD1-CE1 3.96Å; L180-T208 HydrophobicContact CD2-CG2 3.55Å; L180-L230 HydrophobicContact CD1-CD2 4.16Å
181S86.3Confident82.2Confident21 Ų2149 Ų4915%0.14726%0.261CS..Hα-helixtrans-65.8-37.5174.2-59.30000111.6I177 N178 T184 G185 C186 L188I177-S181 WeakPolarHBondContact O-CB 3.26Å; I177-S181 PolarHBondContact O-N 3.5Å; I177-S181 PolarHBondContact O-OG 2.99Å; N178-S181 PolarHBondContact O-N 3.3Å; S181-T184 PolarHBondContact O-OG1 3Å; S181-G185 WeakPolarHBondContact O-CA 3.49Å; S181-G185 PolarHBondContact O-N 2.93Å; S181-C186 VanDerWaalsContact CA-O 3.27Å; S181-C186 WeakPolarHBondContact CA-O 3.42Å; S181-C186 VanDerWaalsContact CB-O 3.3Å; S181-C186 WeakPolarHBondContact CB-O 3.5Å; S181-C186 PolarHBondContact O-N 2.71Å; S181-C186 PolarHBondContact OG-O 2.78Å; S181-L188 PolarHBondContact OG-N 3.1Å; S181-L188 VanDerWaalsContact OG-N 3.16Å
182I82.3Confident81.1Confident60 Ų6050.9 Ų50.931%0.30827%0.274SS..Hα-helixtrans-64.6-45.4172.6-63.8157.5000111.3N178 A179 L180 T184 G185 L387 P388 I392N178-I182 WeakPolarHBondContact O-CG1 3.43Å; N178-I182 PolarHBondContact O-N 2.87Å; N178-I182 VanDerWaalsContact O-N 3.15Å; A179-I182 PolarHBondContact O-N 3.03Å; L180-I182 VanDerWaalsContact C-N 3.34Å; I182-T184 VanDerWaalsContact C-N 3.35Å; I182-T184 PolarHBondContact O-N 3.3Å; I182-G185 PolarHBondContact O-N 3.06Å; I182-L387 HydrophobicContact CD1-CD2 3.58Å; I182-P388 HydrophobicContact CG2-CG 4.45Å; I182-I392 HydrophobicContact CG2-CD1 4.22Å; I182-I392 WeakPolarHBondContact O-CD1 3.36Å
183I84.8Confident80.4Confident0 Ų048.9 Ų48.90%026%0.261CS..Hα-helixtrans-66-36.8-178.5-65.1155.1000112A179 L180 T208 V209 R212 F279A179-I183 VanDerWaalsContact O-CD1 3.3Å; A179-I183 WeakPolarHBondContact O-CD1 3.4Å; A179-I183 VanDerWaalsContact O-CG1 3.3Å; A179-I183 WeakPolarHBondContact O-CG1 3.4Å; A179-I183 PolarHBondContact O-N 3.43Å; A179-I183 VanDerWaalsContact O-N 3.13Å; L180-I183 HydrophobicContact CD2-CD1 4.19Å; L180-I183 PolarHBondContact O-N 3.37Å; I183-T208 HydrophobicContact CG2-CG2 4.44Å; I183-V209 HydrophobicContact CD1-CG2 3.39Å; I183-V209 HydrophobicContact CG1-CG2 4.05Å; I183-R212 HydrophobicContact CG2-CB 3.77Å; I183-R212 HydrophobicContact CG2-CG 3.87Å; I183-R212 WeakPolarHBondContact O-CD 3.42Å; I183-R212 WeakPolarHBondContact O-CG 3.47Å; I183-R212 PolarHBondContact O-NE 2.77Å; I183-R212 VanDerWaalsContact O-NE 3.15Å; I183-F279 HydrophobicContact CB-CZ 4.4Å; I183-F279 HydrophobicContact CG1-CE1 4.11Å; I183-F279 HydrophobicContact CG1-CZ 4.42Å; I183-F279 HydrophobicContact CG2-CZ 4.12Å
184T82.2Confident79.4Confident2 Ų254.2 Ų54.21%0.01228%0.281CS..Hα-helixtrans-84-25.8179.855.40000113.4L180 S181 I182 C186 L230 P394 I395L180-T184 WeakPolarHBondContact O-CB 3.27Å; L180-T184 VanDerWaalsContact O-CG2 3.29Å; L180-T184 WeakPolarHBondContact O-CG2 3.28Å; L180-T184 PolarHBondContact O-N 3.33Å; L180-T184 PolarHBondContact O-OG1 2.71Å; S181-T184 PolarHBondContact O-OG1 3Å; I182-T184 VanDerWaalsContact C-N 3.35Å; I182-T184 PolarHBondContact O-N 3.3Å; T184-C186 PolarHBondContact OG1-N 2.75Å; T184-C186 PolarHBondContact OG1-O 2.84Å; T184-L230 HydrophobicContact CG2-CD1 3.52Å; T184-P394 CarbonylContact O-C 3.2Å; T184-P394 WeakPolarHBondContact O-CA 3.3Å; T184-I395 HydrophobicContact CG2-CD1 3.69Å; T184-I395 PolarHBondContact O-N 2.84Å
185G77Confident78.6Confident21 Ų2152.7 Ų52.722%0.21628%0.28CS..THydrogen-bonded Turntrans7117.6-167.900000113.3S181 I182S181-G185 WeakPolarHBondContact O-CA 3.49Å; S181-G185 PolarHBondContact O-N 2.93Å; I182-G185 PolarHBondContact O-N 3.06Å
186C77.1Confident78.3Confident21 Ų2151 Ų5114%0.14227%0.269CS..SBendtrans-130.7135.1-175.4-60.40000109.6S181 T184 L188 Y405S181-C186 VanDerWaalsContact CA-O 3.27Å; S181-C186 WeakPolarHBondContact CA-O 3.42Å; S181-C186 VanDerWaalsContact CB-O 3.3Å; S181-C186 WeakPolarHBondContact CB-O 3.5Å; S181-C186 PolarHBondContact O-N 2.71Å; S181-C186 PolarHBondContact OG-O 2.78Å; T184-C186 PolarHBondContact OG1-N 2.75Å; T184-C186 PolarHBondContact OG1-O 2.84Å; C186-L188 PolarHBondContact O-N 2.99Å; C186-L188 VanDerWaalsContact O-N 3.08Å; C186-Y405 PolarHBondContact SG-OH 2.84Å
187H76.2Confident78.1Confident173 Ų17355.1 Ų55.180%0.80129%0.288SS*.  trans-70.6107.2174.8-168.8-48.8000110.1
188L80.5Confident78.1Confident7 Ų754.7 Ų54.74%0.03729%0.287CS..  trans-76.7152178-59.2178.2000110.5I177 L180 S181 C186 I193 L230 T231I177-L188 HydrophobicContact CG2-CB 4.4Å; L180-L188 HydrophobicContact CB-CD1 3.59Å; S181-L188 PolarHBondContact OG-N 3.1Å; S181-L188 VanDerWaalsContact OG-N 3.16Å; C186-L188 PolarHBondContact O-N 2.99Å; C186-L188 VanDerWaalsContact O-N 3.08Å; L188-I193 HydrophobicContact CD1-CD1 4.02Å; L188-L230 HydrophobicContact CD1-CB 4.37Å; L188-L230 HydrophobicContact CD1-CD2 4.39Å; L188-L230 HydrophobicContact CD2-CB 4.17Å; L188-T231 HydrophobicContact CD2-CG2 4.48Å
189K74.2Confident77.9Confident157 Ų15750.7 Ų50.768%0.68327%0.267SS*.  trans-95.6140.8176.1-68.3-179.4179.71770109.5N191 S192K189-N191 PolarHBondContact O-N 3.37Å; K189-N191 VanDerWaalsContact O-N 3.14Å; K189-S192 VanDerWaalsContact O-CB 3.29Å; K189-S192 WeakPolarHBondContact O-CB 3.25Å; K189-S192 PolarHBondContact O-N 2.91Å; K189-S192 PolarHBondContact O-OG 2.99Å
190E64.4Low77.8Confident128 Ų12851.3 Ų51.360%0.59827%0.27SS*.G310 helixtrans-56.6-33.8179.9-175.1172.5-137.100113.2I177 S192 I193I177-E190 HydrophobicContact CD1-CB 3.88Å; I177-E190 HydrophobicContact CD1-CG 3.81Å; E190-S192 PolarHBondContact O-N 3.01Å; E190-S192 VanDerWaalsContact O-N 3.13Å; E190-I193 PolarHBondContact O-N 3.12Å
191N62.1Low77.8Confident116 Ų11651.3 Ų51.362%0.6227%0.27SS*.G310 helixtrans-63-15.3174.5-81-65.9000115.1K189 K194K189-N191 PolarHBondContact O-N 3.37Å; K189-N191 VanDerWaalsContact O-N 3.14Å; N191-K194 WeakPolarHBondContact O-CE 3.46Å; N191-K194 WeakPolarHBondContact O-CG 3.33Å; N191-K194 WeakPolarHBondContact OD1-CE 3.4Å; N191-K194 PolarHBondContact OD1-NZ 3.28Å
192S65.4Low78Confident39 Ų3950.3 Ų50.327%0.27326%0.263SS..G310 helixtrans-85-17.9-176.9-56.10000113.9K189 E190 L230K189-S192 VanDerWaalsContact O-CB 3.29Å; K189-S192 WeakPolarHBondContact O-CB 3.25Å; K189-S192 PolarHBondContact O-N 2.91Å; K189-S192 PolarHBondContact O-OG 2.99Å; E190-S192 PolarHBondContact O-N 3.01Å; E190-S192 VanDerWaalsContact O-N 3.13Å; S192-L230 VanDerWaalsContact CB-O 3.28Å; S192-L230 WeakPolarHBondContact CB-O 3.48Å
193I71.2Confident78.4Confident7 Ų748 Ų484%0.03625%0.251CS..SBendtrans-118.138.4-170.3-46.1-168.8000110.6L176 I177 L180 L188 E190 G195 L196L176-I193 HydrophobicContact CD2-CG2 4.01Å; I177-I193 HydrophobicContact CG1-CB 4.48Å; I177-I193 HydrophobicContact CG1-CD1 3.87Å; I177-I193 HydrophobicContact CG1-CG1 4.37Å; L180-I193 HydrophobicContact CD1-CD1 3.66Å; L188-I193 HydrophobicContact CD1-CD1 4.02Å; E190-I193 PolarHBondContact O-N 3.12Å; I193-G195 PolarHBondContact O-N 3.18Å; I193-G195 VanDerWaalsContact O-N 3.14Å; I193-L196 HydrophobicContact CG2-CB 3.57Å; I193-L196 HydrophobicContact CG2-CD1 4.07Å; I193-L196 HydrophobicContact CG2-CG 4.46Å; I193-L196 PolarHBondContact O-N 3.4Å
194K65.4Low78.7Confident150 Ų15048.8 Ų48.865%0.65225%0.254SS*.THydrogen-bonded Turntrans-65.4113.9-169.4-77.1-176.3-178-172.60113.6N191N191-K194 WeakPolarHBondContact O-CE 3.46Å; N191-K194 WeakPolarHBondContact O-CG 3.33Å; N191-K194 WeakPolarHBondContact OD1-CE 3.4Å; N191-K194 PolarHBondContact OD1-NZ 3.28Å
195G70Confident79.3Confident44 Ų4448.7 Ų48.745%0.45425%0.254SS..THydrogen-bonded Turntrans75.530.8176.300000113.8I193 K507I193-G195 PolarHBondContact O-N 3.18Å; I193-G195 VanDerWaalsContact O-N 3.14Å; G195-K507 PolarHBondContact O-NZ 2.95Å
196L82.3Confident80.1Confident18 Ų1847.7 Ų47.79%0.09424%0.243CC..  trans-111.1105.5168.6-103.7161.9000107.8L176 I193 D200 F204 L501L176-L196 HydrophobicContact CD2-CB 4.18Å; L176-L196 VanDerWaalsContact CD2-O 3.32Å; L176-L196 WeakPolarHBondContact CD2-O 3.36Å; I193-L196 HydrophobicContact CG2-CB 3.57Å; I193-L196 HydrophobicContact CG2-CD1 4.07Å; I193-L196 HydrophobicContact CG2-CG 4.46Å; I193-L196 PolarHBondContact O-N 3.4Å; L196-D200 HydrophobicContact CD2-CB 4.04Å; L196-F204 HydrophobicContact CD1-CD1 3.94Å; L196-F204 HydrophobicContact CD1-CD2 4.25Å; L196-F204 HydrophobicContact CD1-CE1 4.04Å; L196-F204 HydrophobicContact CD1-CE2 4.35Å; L196-F204 HydrophobicContact CD1-CG 4.04Å; L196-F204 HydrophobicContact CD1-CZ 4.25Å; L196-F204 HydrophobicContact CD2-CB 3.55Å; L196-F204 HydrophobicContact CD2-CD1 4.11Å; L196-F204 HydrophobicContact CD2-CD2 4.41Å; L196-F204 HydrophobicContact CD2-CG 3.77Å; L196-L501 HydrophobicContact CD1-CD2 4.5Å
197Q87Confident80.9Confident86 Ų8647.5 Ų47.540%0.40224%0.241SC..  trans-160.1167.9-177.662.6-172.325.500109.4L168 I171 P173 A199 D200 G201L168-Q197 HydrophobicContact CD1-CB 4.48Å; L168-Q197 HydrophobicContact CD1-CG 3.78Å; I171-Q197 WeakPolarHBondContact O-CA 3.29Å; P173-Q197 HydrophobicContact CG-CB 4.23Å; Q197-A199 PolarHBondContact O-N 3.45Å; Q197-D200 PolarHBondContact O-N 3.05Å; Q197-G201 PolarHBondContact O-N 2.65Å
198G87.1Confident81.7Confident3 Ų339.2 Ų39.23%0.03120%0.203CC..Hα-helixtrans56.8-135.7179.400000113.3L167 I171 D200 G201 A202L167-G198 WeakPolarHBondContact O-CA 3.46Å; I171-G198 PolarHBondContact O-N 2.78Å; G198-D200 VanDerWaalsContact C-N 3.27Å; G198-D200 PolarHBondContact O-N 3.24Å; G198-G201 WeakPolarHBondContact O-CA 2.93Å; G198-G201 PolarHBondContact O-N 2.99Å; G198-A202 PolarHBondContact O-N 3Å
199A82.7Confident82.4Confident9 Ų938.9 Ų38.97%0.07420%0.201CC..Hα-helixtrans-58.1-34.6-178.800000114.2L167 Q197 L203 L370 A373L167-A199 HydrophobicContact CD1-CB 3.89Å; Q197-A199 PolarHBondContact O-N 3.45Å; A199-L203 PolarHBondContact O-N 3.4Å; A199-L370 HydrophobicContact CB-CD1 4.07Å; A199-A373 HydrophobicContact CB-CB 3.7Å
200D85.3Confident83.3Confident15 Ų1531.4 Ų31.48%0.0817%0.169CC..Hα-helixtrans-70-41.4174-87.28.4000111.3L196 Q197 G198 F204 S505 T506L196-D200 HydrophobicContact CD2-CB 4.04Å; Q197-D200 PolarHBondContact O-N 3.05Å; G198-D200 VanDerWaalsContact C-N 3.27Å; G198-D200 PolarHBondContact O-N 3.24Å; D200-F204 WeakPolarHBondContact O-CB 3.42Å; D200-F204 PolarHBondContact O-N 2.84Å; D200-S505 WeakPolarHBondContact OD2-CB 2.96Å; D200-S505 PolarHBondContact OD2-OG 3.41Å; D200-T506 WeakPolarHBondContact OD1-CA 2.82Å; D200-T506 VanDerWaalsContact OD1-CB 3.22Å; D200-T506 WeakPolarHBondContact OD1-CB 3.41Å; D200-T506 WeakPolarHBondContact OD1-CG2 3.33Å; D200-T506 PolarHBondContact OD1-N 3.12Å; D200-T506 PolarHBondContact OD1-OG1 2.8Å; D200-T506 PolarHBondContact OD2-N 2.84Å
201G89.9Confident84.8Confident0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-59.8-4417400000112.3Q197 G198 F204 W205Q197-G201 PolarHBondContact O-N 2.65Å; G198-G201 WeakPolarHBondContact O-CA 2.93Å; G198-G201 PolarHBondContact O-N 2.99Å; G201-F204 PolarHBondContact O-N 3Å; G201-W205 VanDerWaalsContact O-CB 3.27Å; G201-W205 WeakPolarHBondContact O-CB 3.34Å; G201-W205 PolarHBondContact O-N 3.19Å
202A90.4Very high86.2Confident0 Ų020.7 Ų20.70%011%0.114CC..Hα-helixtrans-57.7-52.8178.300000112.3L167 I171 G198 L206 A373 A376L167-A202 HydrophobicContact CD2-CB 4.47Å; I171-A202 HydrophobicContact CD1-CB 3.4Å; G198-A202 PolarHBondContact O-N 3Å; A202-L206 WeakPolarHBondContact O-CB 3.23Å; A202-L206 PolarHBondContact O-N 2.83Å; A202-A373 HydrophobicContact CB-CB 4.37Å; A202-A373 WeakPolarHBondContact CB-O 3.36Å; A202-A376 HydrophobicContact CB-CB 3.84Å
203L91.1Very high87.5Confident11 Ų1119 Ų196%0.05810%0.102CC..Hα-helixtrans-69.9-38.2-178-66.9179.7000111.9A199 L206 V207 M269 L361 H372 A373 A376A199-L203 PolarHBondContact O-N 3.4Å; L203-L206 PolarHBondContact O-N 3.39Å; L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 2.78Å; L203-M269 HydrophobicContact CD2-CE 4.41Å; L203-L361 HydrophobicContact CB-CD2 4.34Å; L203-L361 HydrophobicContact CD2-CD1 4.11Å; L203-L361 HydrophobicContact CD2-CD2 4.1Å; L203-H372 HydrophobicContact CD2-CB 4.05Å; L203-A373 HydrophobicContact CD1-CB 4.17Å; L203-A373 HydrophobicContact CD2-CB 4.2Å; L203-A373 HydrophobicContact CG-CB 3.89Å; L203-A376 HydrophobicContact CD2-CB 4.45Å
204F91.9Very high88.6Confident18 Ų1818.6 Ų18.68%0.07910%0.1CC..Hα-helixtrans-67.2-42.1176.9-177.8-103.7000112.7L180 L196 D200 G201 T208 W225 H229 L230L180-F204 HydrophobicContact CD1-CD1 4.2Å; L180-F204 HydrophobicContact CD1-CE1 3.96Å; L196-F204 HydrophobicContact CD1-CD1 3.94Å; L196-F204 HydrophobicContact CD1-CD2 4.25Å; L196-F204 HydrophobicContact CD1-CE1 4.04Å; L196-F204 HydrophobicContact CD1-CE2 4.35Å; L196-F204 HydrophobicContact CD1-CG 4.04Å; L196-F204 HydrophobicContact CD1-CZ 4.25Å; L196-F204 HydrophobicContact CD2-CB 3.55Å; L196-F204 HydrophobicContact CD2-CD1 4.11Å; L196-F204 HydrophobicContact CD2-CD2 4.41Å; L196-F204 HydrophobicContact CD2-CG 3.77Å; D200-F204 WeakPolarHBondContact O-CB 3.42Å; D200-F204 PolarHBondContact O-N 2.84Å; G201-F204 PolarHBondContact O-N 3Å; F204-T208 VanDerWaalsContact O-CB 3.25Å; F204-T208 WeakPolarHBondContact O-CB 3.46Å; F204-T208 PolarHBondContact O-N 3.49Å; F204-T208 PolarHBondContact O-OG1 3.43Å; F204-W225 HydrophobicContact CE2-CH2 4.43Å; F204-H229 HydrophobicContact CE2-CB 4.29Å; F204-H229 HydrophobicContact CZ-CB 4.22Å; F204-L230 HydrophobicContact CE1-CD2 3.63Å; F204-L230 HydrophobicContact CZ-CD2 3.68Å
205W93.9Very high89.9Confident0 Ų012.7 Ų12.70%08%0.077CC..Hα-helixtrans-57.5-50.5170.4165.984.8000111.3L176 G201 V207 T208 V209 T276 Y280 A376 L379 F380 F383L176-W205 HydrophobicContact CD1-CB 3.8Å; G201-W205 VanDerWaalsContact O-CB 3.27Å; G201-W205 WeakPolarHBondContact O-CB 3.34Å; G201-W205 PolarHBondContact O-N 3.19Å; W205-V207 PolarHBondContact O-N 3.05Å; W205-T208 WeakPolarHBondContact O-CA 3.46Å; W205-T208 WeakPolarHBondContact O-CB 2.85Å; W205-T208 PolarHBondContact O-N 3.32Å; W205-V209 HydrophobicContact CD2-CG2 4.31Å; W205-V209 HydrophobicContact CZ2-CG2 4.14Å; W205-V209 WeakPolarHBondContact O-CG2 3.05Å; W205-V209 PolarHBondContact O-N 3.17Å; W205-T276 HydrophobicContact CH2-CG2 3.76Å; W205-T276 HydrophobicContact CZ2-CG2 4.14Å; W205-T276 HydrophobicContact CZ3-CG2 4.49Å; W205-Y280 HydrophobicContact CZ2-CE2 4.02Å; W205-A376 WeakPolarHBondContact CZ3-O 3.14Å; W205-L379 HydrophobicContact CH2-CB 3.97Å; W205-L379 HydrophobicContact CZ3-CB 4.07Å; W205-F380 HydrophobicContact CB-CD2 4.36Å; W205-F380 AromaticContact CD1-CD2 3.85Å; W205-F380 HydrophobicContact CD2-CB 4.38Å; W205-F380 AromaticContact CD2-CD2 3.69Å; W205-F380 HydrophobicContact CD2-CD2 3.69Å; W205-F380 AromaticContact CE2-CD2 3.85Å; W205-F380 HydrophobicContact CE3-CB 4.11Å; W205-F380 HydrophobicContact CE3-CD2 4.21Å; W205-F380 AromaticContact CG-CD2 3.72Å; W205-F380 HydrophobicContact CG-CD2 3.72Å; W205-F380 HydrophobicContact CG-CE2 4.19Å; W205-F380 HydrophobicContact CH2-CB 4.28Å; W205-F380 HydrophobicContact CZ3-CB 4.06Å; W205-F380 AromaticContact NE1-CD2 3.9Å; W205-F383 AromaticContact CH2-CD2 3.98Å; W205-F383 HydrophobicContact CH2-CD2 3.98Å; W205-F383 HydrophobicContact CZ2-CB 4.31Å; W205-F383 HydrophobicContact CZ2-CD2 4.29Å
206L94.7Very high90.8Very high0 Ų014.9 Ų14.90%08%0.077CC..Hα-helixtrans-60.4-45-177.8-168.580.3000111.9A202 L203 T208 V209 A210 M269 L272 T276 A376 L379A202-L206 WeakPolarHBondContact O-CB 3.23Å; A202-L206 PolarHBondContact O-N 2.83Å; L203-L206 PolarHBondContact O-N 3.39Å; L206-T208 VanDerWaalsContact C-N 3.31Å; L206-T208 PolarHBondContact O-N 3.21Å; L206-V209 PolarHBondContact O-N 3.4Å; L206-A210 WeakPolarHBondContact O-CB 3.13Å; L206-A210 PolarHBondContact O-N 2.91Å; L206-M269 HydrophobicContact CD2-CE 3.3Å; L206-M269 HydrophobicContact CD2-SD 3.81Å; L206-L272 HydrophobicContact CD2-CB 3.82Å; L206-L272 HydrophobicContact CD2-CD1 4.24Å; L206-L272 HydrophobicContact CG-CB 4.18Å; L206-T276 HydrophobicContact CD1-CG2 4.2Å; L206-T276 VanDerWaalsContact CD1-OG1 3.26Å; L206-T276 WeakPolarHBondContact CD1-OG1 3.41Å; L206-A376 HydrophobicContact CB-CB 4.26Å; L206-A376 HydrophobicContact CD2-CB 4.26Å; L206-L379 HydrophobicContact CD1-CD1 4.37Å
207V93.7Very high91.1Very high16 Ų1617 Ų1710%0.0979%0.088CC..Hα-helixtrans-64.8-35.4175.1172.20000111.4L203 W205 A210 A211 W225 L264 L272 L361L203-V207 WeakPolarHBondContact O-CG2 3.44Å; L203-V207 PolarHBondContact O-N 2.78Å; W205-V207 PolarHBondContact O-N 3.05Å; V207-A210 PolarHBondContact O-N 3.12Å; V207-A211 VanDerWaalsContact O-CB 3.27Å; V207-A211 WeakPolarHBondContact O-CB 3.49Å; V207-A211 PolarHBondContact O-N 3.38Å; V207-W225 HydrophobicContact CG1-CH2 3.99Å; V207-W225 HydrophobicContact CG1-CZ2 4.47Å; V207-L264 HydrophobicContact CG1-CB 4.37Å; V207-L264 HydrophobicContact CG1-CD1 4.34Å; V207-L264 HydrophobicContact CG1-CD2 4.5Å; V207-L272 HydrophobicContact CG2-CD1 4.26Å; V207-L272 HydrophobicContact CG2-CD2 4.34Å; V207-L361 HydrophobicContact CG2-CD2 3.93Å
208T93.2Very high91.2Very high0 Ų016.1 Ų16.10%010%0.102CC..Hα-helixtrans-70.6-41.3178.7-60.80000112.2L180 I183 F204 W205 L206 A211 R212 L226 L230L180-T208 HydrophobicContact CD2-CG2 3.55Å; I183-T208 HydrophobicContact CG2-CG2 4.44Å; F204-T208 VanDerWaalsContact O-CB 3.25Å; F204-T208 WeakPolarHBondContact O-CB 3.46Å; F204-T208 PolarHBondContact O-N 3.49Å; F204-T208 PolarHBondContact O-OG1 3.43Å; W205-T208 WeakPolarHBondContact O-CA 3.46Å; W205-T208 WeakPolarHBondContact O-CB 2.85Å; W205-T208 PolarHBondContact O-N 3.32Å; L206-T208 VanDerWaalsContact C-N 3.31Å; L206-T208 PolarHBondContact O-N 3.21Å; T208-A211 PolarHBondContact O-N 3.47Å; T208-R212 WeakPolarHBondContact O-CB 3.03Å; T208-R212 PolarHBondContact O-N 3.42Å; T208-L226 HydrophobicContact CG2-CD2 3.74Å; T208-L230 HydrophobicContact CG2-CD1 3.87Å
209V93.7Very high91.3Very high0 Ų018.6 Ų18.60%011%0.114CC..Hα-helixtrans-60-47.6170.2-1780000110I183 W205 L206 A211 R212 T213 T276 F279 Y280I183-V209 HydrophobicContact CD1-CG2 3.39Å; I183-V209 HydrophobicContact CG1-CG2 4.05Å; W205-V209 HydrophobicContact CD2-CG2 4.31Å; W205-V209 HydrophobicContact CZ2-CG2 4.14Å; W205-V209 WeakPolarHBondContact O-CG2 3.05Å; W205-V209 PolarHBondContact O-N 3.17Å; L206-V209 PolarHBondContact O-N 3.4Å; V209-A211 PolarHBondContact O-N 3.37Å; V209-R212 PolarHBondContact O-N 3.49Å; V209-T213 WeakPolarHBondContact O-CB 3.35Å; V209-T213 PolarHBondContact O-N 3.13Å; V209-T213 PolarHBondContact O-OG1 3.36Å; V209-T276 HydrophobicContact CB-CG2 4.43Å; V209-T276 HydrophobicContact CG1-CG2 4.02Å; V209-F279 HydrophobicContact CG1-CB 3.66Å; V209-F279 HydrophobicContact CG1-CD1 3.93Å; V209-F279 HydrophobicContact CG1-CD2 4.38Å; V209-F279 HydrophobicContact CG1-CG 3.73Å; V209-Y280 HydrophobicContact CG1-CD2 4.48Å; V209-Y280 HydrophobicContact CG1-CE2 4.15Å; V209-Y280 HydrophobicContact CG2-CE2 4.05Å
210A94.5Very high91.6Very high0 Ų019.5 Ų19.50%012%0.118CC..Hα-helixtrans-59.9-45.5178.400000112.1L206 V207 R212 T213 V214 L272 L275L206-A210 WeakPolarHBondContact O-CB 3.13Å; L206-A210 PolarHBondContact O-N 2.91Å; V207-A210 PolarHBondContact O-N 3.12Å; A210-R212 PolarHBondContact O-N 2.77Å; A210-T213 WeakPolarHBondContact O-CB 3.18Å; A210-T213 PolarHBondContact O-N 3.24Å; A210-V214 WeakPolarHBondContact O-CG2 3.22Å; A210-V214 PolarHBondContact O-N 2.88Å; A210-L272 HydrophobicContact CB-CD2 3.57Å; A210-L275 HydrophobicContact CB-CB 4.15Å; A210-L275 HydrophobicContact CB-CD1 3.97Å
211A94.5Very high91.8Very high0 Ų022.9 Ų22.90%014%0.136CC..Hα-helixtrans-60.5-43.3176.100000112.6V207 T208 V209 T213 V214 T215 C222 W225 L226 L264V207-A211 VanDerWaalsContact O-CB 3.27Å; V207-A211 WeakPolarHBondContact O-CB 3.49Å; V207-A211 PolarHBondContact O-N 3.38Å; T208-A211 PolarHBondContact O-N 3.47Å; V209-A211 PolarHBondContact O-N 3.37Å; A211-T213 VanDerWaalsContact C-N 3.34Å; A211-V214 WeakPolarHBondContact O-CG2 3.33Å; A211-T215 WeakPolarHBondContact O-CB 2.91Å; A211-T215 PolarHBondContact O-N 3.24Å; A211-T215 PolarHBondContact O-OG1 2.92Å; A211-C222 HydrophobicContact CB-CB 4.02Å; A211-W225 HydrophobicContact CB-CE3 4.28Å; A211-W225 HydrophobicContact CB-CZ3 4.23Å; A211-L226 HydrophobicContact CB-CD2 4.02Å; A211-L226 HydrophobicContact CB-CG 4.36Å; A211-L264 HydrophobicContact CB-CD1 3.86Å; A211-L264 HydrophobicContact CB-CD2 3.79Å; A211-L264 HydrophobicContact CB-CG 4.49Å
212R92.4Very high91.8Very high18 Ų1822.9 Ų22.97%0.06814%0.136CC..Hα-helixtrans-63.2-41.3174.1-168.969.7176.9135-8.9111.4I183 T208 V209 A210 T215 I216 L226 F279 N393 P394 I395I183-R212 HydrophobicContact CG2-CB 3.77Å; I183-R212 HydrophobicContact CG2-CG 3.87Å; I183-R212 WeakPolarHBondContact O-CD 3.42Å; I183-R212 WeakPolarHBondContact O-CG 3.47Å; I183-R212 PolarHBondContact O-NE 2.77Å; I183-R212 VanDerWaalsContact O-NE 3.15Å; T208-R212 WeakPolarHBondContact O-CB 3.03Å; T208-R212 PolarHBondContact O-N 3.42Å; V209-R212 PolarHBondContact O-N 3.49Å; A210-R212 PolarHBondContact O-N 2.77Å; R212-T215 WeakPolarHBondContact O-CB 3.44Å; R212-T215 PolarHBondContact O-N 3.28Å; R212-I216 HydrophobicContact CG-CD1 3.96Å; R212-I216 WeakPolarHBondContact O-CG1 3.42Å; R212-I216 PolarHBondContact O-N 3.45Å; R212-L226 HydrophobicContact CB-CD1 4.46Å; R212-F279 HydrophobicContact CB-CE2 4.29Å; R212-F279 HydrophobicContact CG-CE2 3.74Å; R212-F279 HydrophobicContact CG-CZ 4.32Å; R212-N393 PolarHBondContact NH2-O 3.39Å; R212-P394 PolarHBondContact NH2-O 3.23Å; R212-I395 VanDerWaalsContact CZ-CG1 3.48Å
213T92.8Very high91.7Very high3 Ų324.4 Ų24.42%0.01815%0.145CC..Hα-helixtrans-66.2-47.6-178.6-52.20000112.3V209 A210 A211 T215 I216 L217 L275 F279V209-T213 WeakPolarHBondContact O-CB 3.35Å; V209-T213 PolarHBondContact O-N 3.13Å; V209-T213 PolarHBondContact O-OG1 3.36Å; A210-T213 WeakPolarHBondContact O-CB 3.18Å; A210-T213 PolarHBondContact O-N 3.24Å; A211-T213 VanDerWaalsContact C-N 3.34Å; T213-T215 PolarHBondContact O-N 3.47Å; T213-I216 PolarHBondContact O-N 3.32Å; T213-L217 HydrophobicContact CG2-CD1 4.06Å; T213-L217 WeakPolarHBondContact O-CB 3.09Å; T213-L217 WeakPolarHBondContact O-CG 3.1Å; T213-L217 PolarHBondContact O-N 3.39Å; T213-L275 HydrophobicContact CG2-CB 4.17Å; T213-L275 HydrophobicContact CG2-CD2 3.72Å; T213-F279 WeakPolarHBondContact OG1-CB 3.28Å; T213-F279 WeakPolarHBondContact OG1-CD2 3.41Å
214V94Very high91.4Very high0 Ų025.5 Ų25.50%015%0.15CC..Hα-helixtrans-66.7-27.9177.9-62.10000112.7A210 A211 G218 I219 N220 F263 L275A210-V214 WeakPolarHBondContact O-CG2 3.22Å; A210-V214 PolarHBondContact O-N 2.88Å; A211-V214 WeakPolarHBondContact O-CG2 3.33Å; V214-G218 PolarHBondContact O-N 2.93Å; V214-I219 HydrophobicContact CB-CB 4.07Å; V214-I219 HydrophobicContact CB-CG2 4.32Å; V214-I219 HydrophobicContact CG1-CD1 4.38Å; V214-I219 HydrophobicContact CG1-CG2 4.44Å; V214-I219 PolarHBondContact O-N 3.45Å; V214-N220 CarbonylContact C-O 3.58Å; V214-N220 PolarHBondContact O-N 3.05Å; V214-F263 HydrophobicContact CB-CE1 4.27Å; V214-F263 HydrophobicContact CG1-CE1 4Å; V214-F263 HydrophobicContact CG1-CZ 4.21Å; V214-F263 HydrophobicContact CG2-CE1 3.97Å; V214-L275 HydrophobicContact CG1-CD1 3.67Å; V214-L275 HydrophobicContact CG1-CD2 3.84Å; V214-L275 HydrophobicContact CG1-CG 4.43Å
215T93Very high91.4Very high26 Ų2624.9 Ų24.916%0.1615%0.147CC..Hα-helixtrans-68.1-48.5171.7-55.40000110.7A211 R212 T213 L217 G218 N220 C222 T223A211-T215 WeakPolarHBondContact O-CB 2.91Å; A211-T215 PolarHBondContact O-N 3.24Å; A211-T215 PolarHBondContact O-OG1 2.92Å; R212-T215 WeakPolarHBondContact O-CB 3.44Å; R212-T215 PolarHBondContact O-N 3.28Å; T213-T215 PolarHBondContact O-N 3.47Å; T215-L217 VanDerWaalsContact C-N 3.3Å; T215-L217 PolarHBondContact O-N 3.07Å; T215-G218 PolarHBondContact O-N 3.3Å; T215-N220 WeakPolarHBondContact CA-O 3.06Å; T215-N220 PolarHBondContact N-O 3.12Å; T215-C222 WeakPolarHBondContact OG1-CB 2.8Å; T215-C222 PolarHBondContact OG1-N 3.17Å; T215-C222 VanDerWaalsContact OG1-N 3.09Å; T215-T223 HydrophobicContact CG2-CG2 3.83Å
216I88.7Confident91.2Very high89 Ų8925 Ų2546%0.45615%0.148SC..Hα-helixtrans-62.9-35.9177.7-70.8167.3000111.8R212 T213 G218 F279R212-I216 HydrophobicContact CG-CD1 3.96Å; R212-I216 WeakPolarHBondContact O-CG1 3.42Å; R212-I216 PolarHBondContact O-N 3.45Å; T213-I216 PolarHBondContact O-N 3.32Å; I216-G218 VanDerWaalsContact C-N 3.27Å; I216-G218 PolarHBondContact O-N 2.93Å; I216-F279 HydrophobicContact CD1-CD2 4.37Å; I216-F279 HydrophobicContact CD1-CE2 3.85Å
217L89.1Confident90.7Very high62 Ų6226.3 Ų26.333%0.32516%0.156SC..THydrogen-bonded Turntrans-78-5.1175.6-71.1175.5000114.1T213 T215 I219 L275 F292T213-L217 HydrophobicContact CG2-CD1 4.06Å; T213-L217 WeakPolarHBondContact O-CB 3.09Å; T213-L217 WeakPolarHBondContact O-CG 3.1Å; T213-L217 PolarHBondContact O-N 3.39Å; T215-L217 VanDerWaalsContact C-N 3.3Å; T215-L217 PolarHBondContact O-N 3.07Å; L217-I219 HydrophobicContact CB-CD1 3.63Å; L217-I219 HydrophobicContact CB-CG1 3.85Å; L217-I219 HydrophobicContact CD1-CD1 3.68Å; L217-I219 HydrophobicContact CG-CD1 4.32Å; L217-I219 PolarHBondContact O-N 3.41Å; L217-L275 HydrophobicContact CD1-CD2 4.31Å; L217-F292 HydrophobicContact CD1-CD2 3.94Å; L217-F292 HydrophobicContact CD1-CE2 4.38Å
218G88.4Confident90.2Very high68 Ų6828.4 Ų28.470%0.70117%0.167SC*.THydrogen-bonded Turntrans65.621.9-177.300000114.4V214 T215 I216V214-G218 PolarHBondContact O-N 2.93Å; T215-G218 PolarHBondContact O-N 3.3Å; I216-G218 VanDerWaalsContact C-N 3.27Å; I216-G218 PolarHBondContact O-N 2.93Å
219I89.7Confident89.7Confident56 Ų5629.8 Ų29.829%0.28717%0.173SC..SBendtrans-78.9-48.8-178.5-69166.3000110.6V214 L217 F263 F292 F294V214-I219 HydrophobicContact CB-CB 4.07Å; V214-I219 HydrophobicContact CB-CG2 4.32Å; V214-I219 HydrophobicContact CG1-CD1 4.38Å; V214-I219 HydrophobicContact CG1-CG2 4.44Å; V214-I219 PolarHBondContact O-N 3.45Å; L217-I219 HydrophobicContact CB-CD1 3.63Å; L217-I219 HydrophobicContact CB-CG1 3.85Å; L217-I219 HydrophobicContact CD1-CD1 3.68Å; L217-I219 HydrophobicContact CG-CD1 4.32Å; L217-I219 PolarHBondContact O-N 3.41Å; I219-F263 HydrophobicContact CG2-CE2 4.27Å; I219-F263 HydrophobicContact CG2-CZ 3.93Å; I219-F292 HydrophobicContact CD1-CB 3.83Å; I219-F294 HydrophobicContact CD1-CD2 4.41Å; I219-F294 HydrophobicContact CG2-CB 4.41Å; I219-F294 HydrophobicContact CG2-CD2 4.11Å
220N89.4Confident89.1Confident27 Ų2729.9 Ų29.914%0.14417%0.174CC..SBendtrans-150133.9174.4-176.477.3000108.2V214 T215 C222 F263V214-N220 CarbonylContact C-O 3.58Å; V214-N220 PolarHBondContact O-N 3.05Å; T215-N220 WeakPolarHBondContact CA-O 3.06Å; T215-N220 PolarHBondContact N-O 3.12Å; N220-C222 PolarHBondContact ND2-SG 2.87Å; N220-C222 PolarHBondContact O-N 3.49Å; N220-F263 HydrophobicContact CB-CD1 4.26Å; N220-F263 HydrophobicContact CB-CD2 4.19Å; N220-F263 HydrophobicContact CB-CE1 4.25Å; N220-F263 HydrophobicContact CB-CE2 4.16Å; N220-F263 HydrophobicContact CB-CG 4.25Å; N220-F263 HydrophobicContact CB-CZ 4.2Å
221D89.2Confident87.9Confident86 Ų8632.8 Ų32.846%0.4619%0.191SC..  trans-78.1113.5176.6-167.5-16.5000109.8T223D221-T223 VanDerWaalsContact OD1-CB 3.27Å; D221-T223 WeakPolarHBondContact OD1-CB 3.49Å; D221-T223 VanDerWaalsContact OD1-CG2 3.25Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.38Å; D221-T223 PolarHBondContact OD1-N 2.89Å; D221-T223 PolarHBondContact OD1-OG1 2.97Å
222C90.7Very high85.9Confident1 Ų134.8 Ų34.81%0.00721%0.212CC..  trans-109.514.8174.2-60.30000112.2A211 T215 N220 E224 W225 L226 A260A211-C222 HydrophobicContact CB-CB 4.02Å; T215-C222 WeakPolarHBondContact OG1-CB 2.8Å; T215-C222 PolarHBondContact OG1-N 3.17Å; T215-C222 VanDerWaalsContact OG1-N 3.09Å; N220-C222 PolarHBondContact ND2-SG 2.87Å; N220-C222 PolarHBondContact O-N 3.49Å; C222-E224 PolarHBondContact O-N 3.06Å; C222-W225 HydrophobicContact CB-CB 4.43Å; C222-W225 PolarHBondContact O-N 3.14Å; C222-L226 HydrophobicContact CB-CD1 4.42Å; C222-L226 HydrophobicContact CB-CG 4.49Å; C222-L226 WeakPolarHBondContact O-CB 3.01Å; C222-L226 VanDerWaalsContact O-CG 3.28Å; C222-L226 WeakPolarHBondContact O-CG 3.3Å; C222-L226 PolarHBondContact O-N 2.94Å; C222-A260 HydrophobicContact CB-CB 4.48Å
223T88.3Confident83.6Confident31 Ų3139.4 Ų39.419%0.1924%0.238CC..Hα-helixtrans-55.8-53.2-177.7500000112.8T215 D221 W225 L226 T227T215-T223 HydrophobicContact CG2-CG2 3.83Å; D221-T223 VanDerWaalsContact OD1-CB 3.27Å; D221-T223 WeakPolarHBondContact OD1-CB 3.49Å; D221-T223 VanDerWaalsContact OD1-CG2 3.25Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.38Å; D221-T223 PolarHBondContact OD1-N 2.89Å; D221-T223 PolarHBondContact OD1-OG1 2.97Å; T223-W225 VanDerWaalsContact C-N 3.27Å; T223-W225 PolarHBondContact O-N 2.83Å; T223-L226 PolarHBondContact O-N 2.81Å; T223-T227 PolarHBondContact O-N 3.02Å; T223-T227 PolarHBondContact O-OG1 3.24Å
224E84.5Confident81.1Confident35 Ų3545.8 Ų45.816%0.16427%0.268CS..Hα-helixtrans-66.8-26.4178.4-62.2-167.2160.800113.2C222 T227 D228 T253 S398C222-E224 PolarHBondContact O-N 3.06Å; E224-T227 WeakPolarHBondContact CA-OG1 3.2Å; E224-T227 PolarHBondContact O-OG1 3.34Å; E224-D228 VanDerWaalsContact O-CB 3.29Å; E224-D228 WeakPolarHBondContact O-CB 2.96Å; E224-D228 PolarHBondContact O-N 3.22Å; E224-T253 WeakPolarHBondContact OE1-CG2 3.42Å; E224-T253 WeakPolarHBondContact OE2-CA 2.79Å; E224-T253 VanDerWaalsContact OE2-CB 3.25Å; E224-T253 WeakPolarHBondContact OE2-CB 2.86Å; E224-T253 WeakPolarHBondContact OE2-CG2 3.41Å; E224-S398 PolarHBondContact OE1-OG 3.26Å
225W90.6Very high78.2Confident5 Ų552.6 Ų52.62%0.01930%0.304CS..Hα-helixtrans-72.4-42172.6-174.599.9000110.8F204 V207 A211 C222 T223 H229 A260 L264 L504F204-W225 HydrophobicContact CE2-CH2 4.43Å; V207-W225 HydrophobicContact CG1-CH2 3.99Å; V207-W225 HydrophobicContact CG1-CZ2 4.47Å; A211-W225 HydrophobicContact CB-CE3 4.28Å; A211-W225 HydrophobicContact CB-CZ3 4.23Å; C222-W225 HydrophobicContact CB-CB 4.43Å; C222-W225 PolarHBondContact O-N 3.14Å; T223-W225 VanDerWaalsContact C-N 3.27Å; T223-W225 PolarHBondContact O-N 2.83Å; W225-H229 AromaticContact CD1-CE1 3.64Å; W225-H229 AromaticContact CD1-ND1 3.95Å; W225-H229 AromaticContact CD2-ND1 3.65Å; W225-H229 AromaticContact CE2-CE1 3.58Å; W225-H229 AromaticContact CE2-ND1 3.58Å; W225-H229 AromaticContact CG-ND1 3.87Å; W225-H229 AromaticContact NE1-CE1 3.34Å; W225-H229 PolarHBondContact NE1-CE1 2.58Å; W225-H229 VanDerWaalsContact NE1-CE1 3.34Å; W225-H229 AromaticContact NE1-ND1 3.77Å; W225-H229 PolarHBondContact O-N 3.35Å; W225-H229 PolarHBondContact O-ND1 3.23Å; W225-A260 HydrophobicContact CB-CB 3.86Å; W225-A260 HydrophobicContact CG-CB 4.23Å; W225-L264 HydrophobicContact CD2-CD1 3.69Å; W225-L264 HydrophobicContact CE3-CD1 3.89Å; W225-L264 HydrophobicContact CG-CD1 4.25Å; W225-L264 HydrophobicContact CH2-CD1 4.15Å; W225-L264 HydrophobicContact CZ2-CD1 3.94Å; W225-L264 HydrophobicContact CZ3-CD1 4.11Å; W225-L504 HydrophobicContact CZ2-CD1 4.5Å
226L89.7Confident75.5Confident1 Ų156.2 Ų56.21%0.00533%0.33CS..Hα-helixtrans-66.4-43.6178.2-73.2164.5000111.6T208 A211 R212 C222 T223 L230 I395T208-L226 HydrophobicContact CG2-CD2 3.74Å; A211-L226 HydrophobicContact CB-CD2 4.02Å; A211-L226 HydrophobicContact CB-CG 4.36Å; R212-L226 HydrophobicContact CB-CD1 4.46Å; C222-L226 HydrophobicContact CB-CD1 4.42Å; C222-L226 HydrophobicContact CB-CG 4.49Å; C222-L226 WeakPolarHBondContact O-CB 3.01Å; C222-L226 VanDerWaalsContact O-CG 3.28Å; C222-L226 WeakPolarHBondContact O-CG 3.3Å; C222-L226 PolarHBondContact O-N 2.94Å; T223-L226 PolarHBondContact O-N 2.81Å; L226-L230 HydrophobicContact CB-CD1 4.37Å; L226-L230 HydrophobicContact CD2-CD1 3.97Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 WeakPolarHBondContact O-CD1 3.44Å; L226-L230 VanDerWaalsContact O-CG 3.22Å; L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 3.23Å; L226-L230 VanDerWaalsContact O-N 3.12Å; L226-I395 HydrophobicContact CB-CD1 3.84Å; L226-I395 HydrophobicContact CD1-CD1 3.97Å; L226-I395 HydrophobicContact CG-CD1 4.42Å
227T85.8Confident72.8Confident28 Ų2858.6 Ų58.617%0.17234%0.337CS..Hα-helixtrans-64.1-48176.353.10000111.2T223 E224 H229 L230 T231 I395 P397T223-T227 PolarHBondContact O-N 3.02Å; T223-T227 PolarHBondContact O-OG1 3.24Å; E224-T227 WeakPolarHBondContact CA-OG1 3.2Å; E224-T227 PolarHBondContact O-OG1 3.34Å; T227-H229 VanDerWaalsContact C-N 3.27Å; T227-H229 PolarHBondContact O-N 2.78Å; T227-L230 PolarHBondContact O-N 3.47Å; T227-T231 WeakPolarHBondContact CA-OG1 3.44Å; T227-T231 CarbonylContact O-C 3.23Å; T227-T231 WeakPolarHBondContact O-CA 3.38Å; T227-T231 PolarHBondContact O-N 3.46Å; T227-T231 PolarHBondContact O-OG1 2.9Å; T227-I395 HydrophobicContact CG2-CG2 3.8Å; T227-P397 HydrophobicContact CG2-CB 4.23Å; T227-P397 HydrophobicContact CG2-CG 4.08Å
228D82.6Confident69.8Low60 Ų6064.3 Ų64.332%0.32136%0.36SS..Hα-helixtrans-60-32.5-178.3-169.683.2000114.2E224 K257E224-D228 VanDerWaalsContact O-CB 3.29Å; E224-D228 WeakPolarHBondContact O-CB 2.96Å; E224-D228 PolarHBondContact O-N 3.22Å; D228-K257 IonicContact OD1-NZ 3.11Å; D228-K257 PolarHBondContact OD1-NZ 2.74Å; D228-K257 WeakPolarHBondContact OD2-CE 3.1Å; D228-K257 IonicContact OD2-NZ 2.74Å; D228-K257 PolarHBondContact OD2-NZ 2.71Å
229H82.4Confident66.8Low30 Ų3070 Ų7014%0.13937%0.368CS..Hα-helixtrans-96.8-6.6-178.8-63.587.9000114.5F204 W225 T227F204-H229 HydrophobicContact CE2-CB 4.29Å; F204-H229 HydrophobicContact CZ-CB 4.22Å; W225-H229 AromaticContact CD1-CE1 3.64Å; W225-H229 AromaticContact CD1-ND1 3.95Å; W225-H229 AromaticContact CD2-ND1 3.65Å; W225-H229 AromaticContact CE2-CE1 3.58Å; W225-H229 AromaticContact CE2-ND1 3.58Å; W225-H229 AromaticContact CG-ND1 3.87Å; W225-H229 AromaticContact NE1-CE1 3.34Å; W225-H229 PolarHBondContact NE1-CE1 2.58Å; W225-H229 VanDerWaalsContact NE1-CE1 3.34Å; W225-H229 AromaticContact NE1-ND1 3.77Å; W225-H229 PolarHBondContact O-N 3.35Å; W225-H229 PolarHBondContact O-ND1 3.23Å; T227-H229 VanDerWaalsContact C-N 3.27Å; T227-H229 PolarHBondContact O-N 2.78Å
230L81.9Confident64Low2 Ų276.8 Ų76.81%0.0140%0.399CS..Hα-helixtrans-125-36.1-176.5-57.7170.7000113.4L180 T184 L188 S192 F204 T208 L226 T227L180-L230 HydrophobicContact CD1-CD2 4.16Å; T184-L230 HydrophobicContact CG2-CD1 3.52Å; L188-L230 HydrophobicContact CD1-CB 4.37Å; L188-L230 HydrophobicContact CD1-CD2 4.39Å; L188-L230 HydrophobicContact CD2-CB 4.17Å; S192-L230 VanDerWaalsContact CB-O 3.28Å; S192-L230 WeakPolarHBondContact CB-O 3.48Å; F204-L230 HydrophobicContact CE1-CD2 3.63Å; F204-L230 HydrophobicContact CZ-CD2 3.68Å; T208-L230 HydrophobicContact CG2-CD1 3.87Å; L226-L230 HydrophobicContact CB-CD1 4.37Å; L226-L230 HydrophobicContact CD2-CD1 3.97Å; L226-L230 WeakPolarHBondContact O-CB 3.49Å; L226-L230 WeakPolarHBondContact O-CD1 3.44Å; L226-L230 VanDerWaalsContact O-CG 3.22Å; L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 3.23Å; L226-L230 VanDerWaalsContact O-N 3.12Å; T227-L230 PolarHBondContact O-N 3.47Å
231T67.4Low61.1Low60 Ų6080.4 Ų80.437%0.36843%0.426SS..SBendtrans-101.983.8170.453.90000109L188 T227 D233L188-T231 HydrophobicContact CD2-CG2 4.48Å; T227-T231 WeakPolarHBondContact CA-OG1 3.44Å; T227-T231 CarbonylContact O-C 3.23Å; T227-T231 WeakPolarHBondContact O-CA 3.38Å; T227-T231 PolarHBondContact O-N 3.46Å; T227-T231 PolarHBondContact O-OG1 2.9Å; T231-D233 PolarHBondContact O-N 3.2Å
232G53.1Low58Low43 Ų4386.1 Ų86.144%0.44345%0.45SS..  trans-69.665.8-177.100000114.7E234G232-E234 VanDerWaalsContact C-N 3.32Å; G232-E234 PolarHBondContact O-N 2.82Å
233D45.3Very low55.1Low115 Ų11591.5 Ų91.562%0.61549%0.488SS*.  trans-7776.7176.1-82.8-28.7000111.8T231 N235 S236T231-D233 PolarHBondContact O-N 3.2Å; D233-N235 PolarHBondContact O-N 3.24Å; D233-S236 PolarHBondContact O-N 2.8Å; D233-S236 PolarHBondContact O-OG 3.28Å
234E38.7Very low52.1Low137 Ų13795 Ų9564%0.6451%0.513SS*.G310 helixtrans-58.3-8.8167.1-69-115.8124.200113.1G232G232-E234 VanDerWaalsContact C-N 3.32Å; G232-E234 PolarHBondContact O-N 2.82Å
235N33.5Very low49.2Very low142 Ų14298.9 Ų98.976%0.75954%0.543SS*.G310 helixtrans-83.8-4.1-176.7-72.5-34.6000115.4D233 K237D233-N235 PolarHBondContact O-N 3.24Å; N235-K237 VanDerWaalsContact C-N 3.3Å; N235-K237 PolarHBondContact O-N 2.89Å
236S35.6Very low46.2Very low102 Ų102106.5 Ų106.571%0.71358%0.584SS**G310 helixtrans-88.616175.865.50000114.7D233D233-S236 PolarHBondContact O-N 2.8Å; D233-S236 PolarHBondContact O-OG 3.28Å
237K32.3Very low43.2Very low139 Ų139109 Ų10960%0.60460%0.602SS**G310 helixtrans-123.122.9178.1-74.4-173.5179.3172.30114.9N235 D493N235-K237 VanDerWaalsContact C-N 3.3Å; N235-K237 PolarHBondContact O-N 2.89Å; K237-D493 HydrophobicContact CD-CB 4.35Å; K237-D493 IonicContact NZ-OD1 2.73Å; K237-D493 PolarHBondContact NZ-OD1 3.41Å
238K27.6Very low40.2Very low183 Ų183110.2 Ų110.280%0.79661%0.609SS**SBendtrans-117.8155.8156.4-70.3175.7-178.6170.90107.5
239E25.4Very low37.6Very low188 Ų188116 Ų11688%0.87963%0.628SS**SBendtrans62.860-174.5-59.9-175.5-168.200115.4
240Q30.4Very low35.2Very low197 Ų197121 Ų12192%0.92166%0.661SS**  trans-141.984.7134-130.4156.987.700110.6
241S27.8Very low33Very low103 Ų103127 Ų12772%0.7269%0.691SS**  trans-61.4149.5159.742.50000109.9S243S241-S243 PolarHBondContact O-N 2.72Å
242E25.3Very low32Very low207 Ų207129.9 Ų129.997%0.96771%0.705SS**  trans-63.8106.9177.8-62176.5125.300110.6
243S29Very low31.7Very low114 Ų114131.1 Ų131.180%0.79770%0.704SS**  trans-140.3155.2160.783.30000110.5S241S241-S243 PolarHBondContact O-N 2.72Å
244S25.1Very low32.1Very low103 Ų103131.8 Ų131.872%0.7271%0.707SS**  trans-93.9140.4-157.457.70000114.2
245C24.1Very low33.4Very low118 Ų118128.4 Ų128.480%0.79770%0.699SS**  trans43.9107.9151.163.70000118.8
246D27.4Very low34.8Very low164 Ų164125.2 Ų125.288%0.87768%0.681SS**  -135.6162.3108.6-153.2-10.6000109.9
247S25.9Very low36.7Very low54 Ų54122.1 Ų122.138%0.37866%0.655SS.*  trans-117.7123-174.985.50000111.6R768S247-R768 PolarHBondContact OG-NH1 3.47Å
248T24.5Very low38.9Very low54 Ų54122.2 Ų122.233%0.33166%0.658SS.*  trans-173.5143.8139.3130000113.9T250 R766 E767T248-T250 PolarHBondContact O-N 3.4Å; T248-R766 VanDerWaalsContact OG1-CZ 3.27Å; T248-R766 PolarHBondContact OG1-NH1 3.43Å; T248-R766 PolarHBondContact OG1-NH2 2.86Å; T248-E767 VanDerWaalsContact CG2-CD 3.42Å; T248-E767 HydrophobicContact CG2-CG 4.14Å; T248-E767 WeakPolarHBondContact CG2-OE2 3.32Å
249Y28Very low41.6Very low180 Ų180115.7 Ų115.771%0.70664%0.635SS**  trans51.449.6162.6-68.5-78.4000118.2
250T30.4Very low44.6Very low136 Ų136106.8 Ų106.883%0.83459%0.594SS**  trans-83122.3143.443.80000109.1T248T248-T250 PolarHBondContact O-N 3.4Å
251I36.5Very low47.3Very low127 Ų12798.7 Ų98.765%0.65156%0.557SS**  trans-78.9148.8163.8-65.3175.3000107.1T253 L256I251-T253 VanDerWaalsContact C-N 3.31Å; I251-T253 PolarHBondContact O-N 3.42Å; I251-L256 HydrophobicContact CG2-CD1 4.22Å
252N45.6Very low50.1Low121 Ų12199.7 Ų99.765%0.64755%0.548SS*.  trans-70.281.6-177.7-71.2-5.7000111.9D254 S255 L256N252-D254 VanDerWaalsContact C-N 3.34Å; N252-D254 PolarHBondContact O-N 2.86Å; N252-S255 WeakPolarHBondContact O-CB 3.29Å; N252-S255 PolarHBondContact O-N 3.28Å; N252-L256 PolarHBondContact O-N 2.82Å
253T46.7Very low53.3Low70 Ų7089.9 Ų89.943%0.42950%0.502SS..Hα-helixtrans-55.2-45.3175.753.70000112E224 I251 S255 L256 K257E224-T253 WeakPolarHBondContact OE1-CG2 3.42Å; E224-T253 WeakPolarHBondContact OE2-CA 2.79Å; E224-T253 VanDerWaalsContact OE2-CB 3.25Å; E224-T253 WeakPolarHBondContact OE2-CB 2.86Å; E224-T253 WeakPolarHBondContact OE2-CG2 3.41Å; I251-T253 VanDerWaalsContact C-N 3.31Å; I251-T253 PolarHBondContact O-N 3.42Å; T253-S255 PolarHBondContact O-N 3.26Å; T253-S255 VanDerWaalsContact O-N 3.14Å; T253-L256 PolarHBondContact O-N 3.46Å; T253-K257 WeakPolarHBondContact O-CB 3.3Å; T253-K257 PolarHBondContact O-N 2.8Å
254D54.5Low56.3Low128 Ų12884.9 Ų84.968%0.68447%0.466SS*.Hα-helixtrans-52.9-36.7173.2-78.5-42.7000112.9N252 E258N252-D254 VanDerWaalsContact C-N 3.34Å; N252-D254 PolarHBondContact O-N 2.86Å; D254-E258 WeakPolarHBondContact O-CB 3.35Å; D254-E258 PolarHBondContact O-N 3.39Å
255S66.6Low59.4Low67 Ų6781.7 Ų81.747%0.46944%0.439SS..Hα-helixtrans-77.6-30.4179.9-173.40000113.3N252 T253 S259N252-S255 WeakPolarHBondContact O-CB 3.29Å; N252-S255 PolarHBondContact O-N 3.28Å; T253-S255 PolarHBondContact O-N 3.26Å; T253-S255 VanDerWaalsContact O-N 3.14Å; S255-S259 WeakPolarHBondContact O-CB 2.68Å; S255-S259 PolarHBondContact O-N 2.88Å
256L62Low62.4Low74 Ų7476.2 Ų76.239%0.38740%0.402SS..Hα-helixtrans-69.5-45.8172.8-76.7162000109.8I251 N252 T253 S259 A260I251-L256 HydrophobicContact CG2-CD1 4.22Å; N252-L256 PolarHBondContact O-N 2.82Å; T253-L256 PolarHBondContact O-N 3.46Å; L256-S259 WeakPolarHBondContact O-CB 3.48Å; L256-S259 PolarHBondContact O-N 2.97Å; L256-A260 PolarHBondContact O-N 2.75Å
257K74.6Confident65.5Low38 Ų3868.4 Ų68.417%0.16536%0.36CS..Hα-helixtrans-61.2-43.6178.1-169.8174.3-176.1175.50113.2D228 T253 D261D228-K257 IonicContact OD1-NZ 3.11Å; D228-K257 PolarHBondContact OD1-NZ 2.74Å; D228-K257 WeakPolarHBondContact OD2-CE 3.1Å; D228-K257 IonicContact OD2-NZ 2.74Å; D228-K257 PolarHBondContact OD2-NZ 2.71Å; T253-K257 WeakPolarHBondContact O-CB 3.3Å; T253-K257 PolarHBondContact O-N 2.8Å; K257-D261 WeakPolarHBondContact O-CB 3.25Å; K257-D261 PolarHBondContact O-N 2.99Å
258E79.3Confident68.7Low141 Ų14166 Ų6666%0.65934%0.344SS*.Hα-helixtrans-66.5-37173.8-168.3-176.4166.500111.8D254 K262D254-E258 WeakPolarHBondContact O-CB 3.35Å; D254-E258 PolarHBondContact O-N 3.39Å; E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 PolarHBondContact O-N 3.47Å
259S84.9Confident71.9Confident45 Ų4563.4 Ų63.432%0.31533%0.328SS..Hα-helixtrans-64.1-45.9175.3-167.90000112.1S255 L256 F263S255-S259 WeakPolarHBondContact O-CB 2.68Å; S255-S259 PolarHBondContact O-N 2.88Å; L256-S259 WeakPolarHBondContact O-CB 3.48Å; L256-S259 PolarHBondContact O-N 2.97Å; S259-F263 VanDerWaalsContact O-CB 3.27Å; S259-F263 WeakPolarHBondContact O-CB 3.5Å; S259-F263 PolarHBondContact O-N 3.26Å
260A88.8Confident75Confident1 Ų154.9 Ų54.91%0.00830%0.295CS..Hα-helixtrans-64.8-45.9178.500000112.4C222 W225 L256 K262 F263 L264C222-A260 HydrophobicContact CB-CB 4.48Å; W225-A260 HydrophobicContact CB-CB 3.86Å; W225-A260 HydrophobicContact CG-CB 4.23Å; L256-A260 PolarHBondContact O-N 2.75Å; A260-K262 PolarHBondContact O-N 2.85Å; A260-F263 PolarHBondContact O-N 3.03Å; A260-L264 WeakPolarHBondContact O-CB 3.22Å; A260-L264 VanDerWaalsContact O-CG 3.28Å; A260-L264 WeakPolarHBondContact O-CG 3.43Å; A260-L264 PolarHBondContact O-N 3.21Å
261D86.1Confident78Confident28 Ų2848.4 Ų48.415%0.1526%0.255CS..Hα-helixtrans-59.3-47.3176.3175.588.7000111.6K257 F263 L264 R265K257-D261 WeakPolarHBondContact O-CB 3.25Å; K257-D261 PolarHBondContact O-N 2.99Å; D261-F263 PolarHBondContact O-N 2.89Å; D261-L264 PolarHBondContact O-N 3.35Å; D261-R265 VanDerWaalsContact O-CG 3.26Å; D261-R265 WeakPolarHBondContact O-CG 3.48Å; D261-R265 PolarHBondContact O-N 3.33Å; D261-R265 VanDerWaalsContact O-N 3.07Å; D261-R265 IonicContact OD1-CZ 3.31Å; D261-R265 IonicContact OD1-NE 2.75Å; D261-R265 PolarHBondContact OD1-NE 3.42Å; D261-R265 VanDerWaalsContact OD1-NE 3.11Å; D261-R265 IonicContact OD1-NH2 3.14Å; D261-R265 PolarHBondContact OD1-NH2 3.39Å; D261-R265 IonicContact OD2-CZ 3.17Å; D261-R265 IonicContact OD2-NE 2.86Å; D261-R265 PolarHBondContact OD2-NE 2.89Å; D261-R265 IonicContact OD2-NH2 3.37Å; D261-R265 PolarHBondContact OD2-NH2 2.91Å
262K87.6Confident80.8Confident123 Ų12342.4 Ų42.454%0.53522%0.224SC..Hα-helixtrans-62.5-40.1176.5-175178.8-175.4177.40113.1E258 A260 G266E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 PolarHBondContact O-N 3.47Å; A260-K262 PolarHBondContact O-N 2.85Å; K262-G266 PolarHBondContact O-N 3.07Å
263F92.4Very high83.2Confident2 Ų236.7 Ų36.71%0.00919%0.193CC..Hα-helixtrans-63.2-51.9176.2177-87.1000111.2V214 I219 N220 S259 A260 D261 R265 G266 L267 F294 P295 G298V214-F263 HydrophobicContact CB-CE1 4.27Å; V214-F263 HydrophobicContact CG1-CE1 4Å; V214-F263 HydrophobicContact CG1-CZ 4.21Å; V214-F263 HydrophobicContact CG2-CE1 3.97Å; I219-F263 HydrophobicContact CG2-CE2 4.27Å; I219-F263 HydrophobicContact CG2-CZ 3.93Å; N220-F263 HydrophobicContact CB-CD1 4.26Å; N220-F263 HydrophobicContact CB-CD2 4.19Å; N220-F263 HydrophobicContact CB-CE1 4.25Å; N220-F263 HydrophobicContact CB-CE2 4.16Å; N220-F263 HydrophobicContact CB-CG 4.25Å; N220-F263 HydrophobicContact CB-CZ 4.2Å; S259-F263 VanDerWaalsContact O-CB 3.27Å; S259-F263 WeakPolarHBondContact O-CB 3.5Å; S259-F263 PolarHBondContact O-N 3.26Å; A260-F263 PolarHBondContact O-N 3.03Å; D261-F263 PolarHBondContact O-N 2.89Å; F263-R265 VanDerWaalsContact C-N 3.35Å; F263-R265 PolarHBondContact O-N 3.14Å; F263-G266 PolarHBondContact O-N 2.91Å; F263-G266 VanDerWaalsContact O-N 3.12Å; F263-L267 HydrophobicContact CD1-CD1 4.46Å; F263-L267 HydrophobicContact CE1-CD1 4.01Å; F263-L267 HydrophobicContact CE1-CD2 4.25Å; F263-L267 HydrophobicContact CE1-CG 4.32Å; F263-L267 HydrophobicContact CZ-CD2 4.34Å; F263-L267 PolarHBondContact O-N 3.4Å; F263-F294 HydrophobicContact CE2-CB 3.61Å; F263-F294 HydrophobicContact CE2-CG 4.39Å; F263-F294 HydrophobicContact CZ-CB 3.77Å; F263-F294 HydrophobicContact CZ-CD2 4.14Å; F263-F294 HydrophobicContact CZ-CG 4.07Å; F263-P295 WeakPolarHBondContact CD2-O 3.41Å; F263-P295 WeakPolarHBondContact CE2-O 3.33Å; F263-G298 WeakPolarHBondContact O-CA 3.46Å
264L92.3Very high85.5Confident8 Ų833.3 Ų33.34%0.04217%0.173CC..Hα-helixtrans-63.5-38.3-176.8-67.8170.3000112.2V207 A211 W225 A260 D261 G266 L267V207-L264 HydrophobicContact CG1-CB 4.37Å; V207-L264 HydrophobicContact CG1-CD1 4.34Å; V207-L264 HydrophobicContact CG1-CD2 4.5Å; A211-L264 HydrophobicContact CB-CD1 3.86Å; A211-L264 HydrophobicContact CB-CD2 3.79Å; A211-L264 HydrophobicContact CB-CG 4.49Å; W225-L264 HydrophobicContact CD2-CD1 3.69Å; W225-L264 HydrophobicContact CE3-CD1 3.89Å; W225-L264 HydrophobicContact CG-CD1 4.25Å; W225-L264 HydrophobicContact CH2-CD1 4.15Å; W225-L264 HydrophobicContact CZ2-CD1 3.94Å; W225-L264 HydrophobicContact CZ3-CD1 4.11Å; A260-L264 WeakPolarHBondContact O-CB 3.22Å; A260-L264 VanDerWaalsContact O-CG 3.28Å; A260-L264 WeakPolarHBondContact O-CG 3.43Å; A260-L264 PolarHBondContact O-N 3.21Å; D261-L264 PolarHBondContact O-N 3.35Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 3.23Å; L264-L267 HydrophobicContact CD2-CD1 4.06Å; L264-L267 PolarHBondContact O-N 3.48Å
265R88.2Confident87.4Confident37 Ų3727.2 Ų27.214%0.1414%0.14CC..Hα-helixtrans-63.9-26.9175.6-71.7172.9-166.9-86.33.5114.3D261 F263 G360 A362 E503 L504D261-R265 VanDerWaalsContact O-CG 3.26Å; D261-R265 WeakPolarHBondContact O-CG 3.48Å; D261-R265 PolarHBondContact O-N 3.33Å; D261-R265 VanDerWaalsContact O-N 3.07Å; D261-R265 IonicContact OD1-CZ 3.31Å; D261-R265 IonicContact OD1-NE 2.75Å; D261-R265 PolarHBondContact OD1-NE 3.42Å; D261-R265 VanDerWaalsContact OD1-NE 3.11Å; D261-R265 IonicContact OD1-NH2 3.14Å; D261-R265 PolarHBondContact OD1-NH2 3.39Å; D261-R265 IonicContact OD2-CZ 3.17Å; D261-R265 IonicContact OD2-NE 2.86Å; D261-R265 PolarHBondContact OD2-NE 2.89Å; D261-R265 IonicContact OD2-NH2 3.37Å; D261-R265 PolarHBondContact OD2-NH2 2.91Å; F263-R265 VanDerWaalsContact C-N 3.35Å; F263-R265 PolarHBondContact O-N 3.14Å; R265-G360 CarbonylContact O-C 3.57Å; R265-G360 WeakPolarHBondContact O-CA 3.23Å; R265-A362 HydrophobicContact CB-CB 4.18Å; R265-A362 HydrophobicContact CG-CB 4.09Å; R265-E503 IonicContact CZ-OE2 3.54Å; R265-E503 VanDerWaalsContact NH1-CG 3.3Å; R265-E503 PolarHBondContact NH1-O 3.13Å; R265-E503 IonicContact NH1-OE2 2.76Å; R265-E503 PolarHBondContact NH1-OE2 3.14Å; R265-E503 IonicContact NH2-OE2 3.46Å; R265-E503 PolarHBondContact NH2-OE2 2.78Å; R265-L504 HydrophobicContact CG-CD2 4.44Å
266G88.9Confident88.7Confident3 Ų324 Ų243%0.03112%0.118CC..Hα-helixtrans-84.5-12.517900000114.6K262 F263 L264 A268 T297 G298 E299K262-G266 PolarHBondContact O-N 3.07Å; F263-G266 PolarHBondContact O-N 2.91Å; F263-G266 VanDerWaalsContact O-N 3.12Å; L264-G266 VanDerWaalsContact C-N 3.26Å; L264-G266 PolarHBondContact O-N 3.23Å; G266-A268 PolarHBondContact O-N 2.98Å; G266-T297 WeakPolarHBondContact CA-O 3.4Å; G266-G298 CarbonylContact O-C 3.56Å; G266-E299 WeakPolarHBondContact O-CA 3.39Å; G266-E299 PolarHBondContact O-N 2.73Å
267L92.8Very high90.2Very high0 Ų020.5 Ų20.50%010%0.1CC..  trans-68.1116.8174.9-65.1176.6000110.3F263 L264 N271 L272 L275 F294 G360 L361F263-L267 HydrophobicContact CD1-CD1 4.46Å; F263-L267 HydrophobicContact CE1-CD1 4.01Å; F263-L267 HydrophobicContact CE1-CD2 4.25Å; F263-L267 HydrophobicContact CE1-CG 4.32Å; F263-L267 HydrophobicContact CZ-CD2 4.34Å; F263-L267 PolarHBondContact O-N 3.4Å; L264-L267 HydrophobicContact CD2-CD1 4.06Å; L264-L267 PolarHBondContact O-N 3.48Å; L267-N271 HydrophobicContact CD2-CB 4.46Å; L267-L272 HydrophobicContact CB-CD2 3.77Å; L267-L272 HydrophobicContact CB-CG 4Å; L267-L272 HydrophobicContact CD1-CD2 3.73Å; L267-L272 HydrophobicContact CG-CD2 4.42Å; L267-L275 HydrophobicContact CD1-CD1 4.14Å; L267-F294 HydrophobicContact CD2-CD1 3.69Å; L267-F294 HydrophobicContact CD2-CE1 3.69Å; L267-F294 HydrophobicContact CD2-CG 4.17Å; L267-F294 HydrophobicContact CD2-CZ 4.13Å; L267-G360 WeakPolarHBondContact O-CA 3.19Å; L267-L361 PolarHBondContact O-N 3.48Å
268A92.3Very high91Very high3 Ų320.1 Ų20.13%0.02510%0.098CC..BIsolated β-bridgetrans-69.5155.5169.300000111.1G266 A270 N271 L272 C357 Q359G266-A268 PolarHBondContact O-N 2.98Å; A268-A270 VanDerWaalsContact C-N 3.27Å; A268-A270 PolarHBondContact O-N 3.45Å; A268-N271 WeakPolarHBondContact O-CB 3.38Å; A268-N271 PolarHBondContact O-N 3.32Å; A268-L272 PolarHBondContact O-N 3.05Å; A268-C357 VanDerWaalsContact CB-C 3.44Å; A268-C357 WeakPolarHBondContact CB-O 3.5Å; A268-Q359 WeakPolarHBondContact CA-O 3.45Å
269M90.8Very high91.6Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-56.5-39.2-172.4-162.969.717700113.2L203 L206 N271 L272 V273 F356 L361 H372 M375 A376L203-M269 HydrophobicContact CD2-CE 4.41Å; L206-M269 HydrophobicContact CD2-CE 3.3Å; L206-M269 HydrophobicContact CD2-SD 3.81Å; M269-N271 PolarHBondContact O-N 3.46Å; M269-L272 PolarHBondContact O-N 3.49Å; M269-L272 HydrophobicContact SD-CD1 4.17Å; M269-V273 WeakPolarHBondContact O-CG2 3.49Å; M269-V273 PolarHBondContact O-N 2.88Å; M269-F356 HydrophobicContact CB-CD2 4.16Å; M269-F356 HydrophobicContact CB-CE2 4.22Å; M269-F356 HydrophobicContact CG-CD2 4.4Å; M269-F356 HydrophobicContact CG-CE2 4.04Å; M269-F356 PolarHBondContact N-O 2.99Å; M269-L361 HydrophobicContact SD-CD1 4.25Å; M269-H372 HydrophobicContact CE-CB 3.65Å; M269-H372 WeakPolarHBondContact CE-O 3.2Å; M269-H372 HydrophobicContact CG-CB 4.43Å; M269-H372 HydrophobicContact SD-CB 3.81Å; M269-M375 HydrophobicContact CE-CE 3.44Å; M269-M375 VanDerWaalsContact CE-CE 3.44Å; M269-M375 HydrophobicContact CG-CE 3.52Å; M269-M375 HydrophobicContact SD-CE 4.36Å; M269-A376 HydrophobicContact CE-CB 4.44Å
270A93Very high91.8Very high1 Ų113.1 Ų13.11%0.0086%0.06CC..Hα-helixtrans-50.5-38.917300000113.8A268 A274 S305 A309 F356A268-A270 VanDerWaalsContact C-N 3.27Å; A268-A270 PolarHBondContact O-N 3.45Å; A270-A274 WeakPolarHBondContact O-CB 3.45Å; A270-A274 PolarHBondContact O-N 3.24Å; A270-A274 VanDerWaalsContact O-N 3.15Å; A270-S305 WeakPolarHBondContact CB-O 3.24Å; A270-A309 HydrophobicContact CB-CB 3.92Å; A270-F356 HydrophobicContact CB-CD1 3.73Å; A270-F356 HydrophobicContact CB-CE1 3.7Å; A270-F356 WeakPolarHBondContact CB-O 3.26Å; A270-F356 PolarHBondContact N-O 3.49Å
271N95.1Very high91.7Very high0 Ų014.4 Ų14.40%07%0.068CC..Hα-helixtrans-86.4-32.7-174.9-62.8-32.9000112.1L267 A268 M269 A274 L275 F294 M300 S305 N308L267-N271 HydrophobicContact CD2-CB 4.46Å; A268-N271 WeakPolarHBondContact O-CB 3.38Å; A268-N271 PolarHBondContact O-N 3.32Å; M269-N271 PolarHBondContact O-N 3.46Å; N271-A274 PolarHBondContact O-N 2.99Å; N271-L275 WeakPolarHBondContact O-CD1 3.47Å; N271-L275 VanDerWaalsContact O-CG 3.31Å; N271-L275 WeakPolarHBondContact O-CG 3.19Å; N271-L275 PolarHBondContact O-N 2.92Å; N271-F294 HydrophobicContact CB-CE1 3.72Å; N271-F294 HydrophobicContact CB-CZ 3.9Å; N271-M300 WeakPolarHBondContact OD1-CE 3.22Å; N271-S305 PolarHBondContact ND2-OG 2.79Å; N271-N308 PolarHBondContact OD1-ND2 3.46Å
272L95.3Very high91.6Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-59.2-52.7169.8-68174.3000110.2L206 V207 A210 L267 A268 M269 A274 L275 T276 L361L206-L272 HydrophobicContact CD2-CB 3.82Å; L206-L272 HydrophobicContact CD2-CD1 4.24Å; L206-L272 HydrophobicContact CG-CB 4.18Å; V207-L272 HydrophobicContact CG2-CD1 4.26Å; V207-L272 HydrophobicContact CG2-CD2 4.34Å; A210-L272 HydrophobicContact CB-CD2 3.57Å; L267-L272 HydrophobicContact CB-CD2 3.77Å; L267-L272 HydrophobicContact CB-CG 4Å; L267-L272 HydrophobicContact CD1-CD2 3.73Å; L267-L272 HydrophobicContact CG-CD2 4.42Å; A268-L272 PolarHBondContact O-N 3.05Å; M269-L272 PolarHBondContact O-N 3.49Å; M269-L272 HydrophobicContact SD-CD1 4.17Å; L272-A274 VanDerWaalsContact C-N 3.34Å; L272-A274 PolarHBondContact O-N 3.01Å; L272-L275 PolarHBondContact O-N 2.91Å; L272-T276 PolarHBondContact O-N 2.89Å; L272-T276 PolarHBondContact O-OG1 3.26Å; L272-T276 VanDerWaalsContact O-OG1 3.07Å; L272-L361 HydrophobicContact CD1-CB 4.18Å; L272-L361 HydrophobicContact CD1-CD2 4.1Å
273V94.3Very high91.4Very high1 Ų118 Ų181%0.0069%0.089CC..Hα-helixtrans-60.3-42.8177.9177.30000111.7M269 L275 T276 F277 I312 M375 L379M269-V273 WeakPolarHBondContact O-CG2 3.49Å; M269-V273 PolarHBondContact O-N 2.88Å; V273-L275 VanDerWaalsContact C-N 3.31Å; V273-L275 PolarHBondContact O-N 2.94Å; V273-T276 WeakPolarHBondContact O-CB 3.5Å; V273-T276 PolarHBondContact O-N 2.69Å; V273-T276 VanDerWaalsContact O-N 3.15Å; V273-F277 HydrophobicContact CG1-CD2 3.72Å; V273-F277 HydrophobicContact CG1-CE2 3.76Å; V273-F277 WeakPolarHBondContact O-CD2 3.46Å; V273-F277 PolarHBondContact O-N 2.84Å; V273-I312 HydrophobicContact CG1-CD1 4.46Å; V273-I312 HydrophobicContact CG1-CG1 4.35Å; V273-I312 HydrophobicContact CG1-CG2 3.88Å; V273-M375 HydrophobicContact CG2-CE 3.5Å; V273-L379 HydrophobicContact CB-CD1 4.43Å; V273-L379 HydrophobicContact CG1-CD1 3.87Å; V273-L379 HydrophobicContact CG2-CD1 3.82Å
274A95Very high90.9Very high0 Ų021.8 Ų21.80%011%0.11CC..Hα-helixtrans-61.6-36.7178.100000113.5A270 N271 L272 H278 F290 F292 N308 I312A270-A274 WeakPolarHBondContact O-CB 3.45Å; A270-A274 PolarHBondContact O-N 3.24Å; A270-A274 VanDerWaalsContact O-N 3.15Å; N271-A274 PolarHBondContact O-N 2.99Å; L272-A274 VanDerWaalsContact C-N 3.34Å; L272-A274 PolarHBondContact O-N 3.01Å; A274-H278 WeakPolarHBondContact O-CB 2.92Å; A274-H278 PolarHBondContact O-N 3.17Å; A274-H278 VanDerWaalsContact O-N 3.1Å; A274-F290 HydrophobicContact CB-CD1 3.76Å; A274-F290 HydrophobicContact CB-CE1 3.77Å; A274-F292 HydrophobicContact CB-CE1 3.91Å; A274-F292 HydrophobicContact CB-CZ 4.44Å; A274-N308 HydrophobicContact CB-CB 4.05Å; A274-I312 HydrophobicContact CB-CD1 4.37Å; A274-I312 HydrophobicContact CB-CG1 4.3Å
275L95.1Very high90.6Very high0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-69-40.8172.8-71163.4000111.6A210 T213 V214 L217 L267 N271 L272 V273 H278 F279 F292 F294A210-L275 HydrophobicContact CB-CB 4.15Å; A210-L275 HydrophobicContact CB-CD1 3.97Å; T213-L275 HydrophobicContact CG2-CB 4.17Å; T213-L275 HydrophobicContact CG2-CD2 3.72Å; V214-L275 HydrophobicContact CG1-CD1 3.67Å; V214-L275 HydrophobicContact CG1-CD2 3.84Å; V214-L275 HydrophobicContact CG1-CG 4.43Å; L217-L275 HydrophobicContact CD1-CD2 4.31Å; L267-L275 HydrophobicContact CD1-CD1 4.14Å; N271-L275 WeakPolarHBondContact O-CD1 3.47Å; N271-L275 VanDerWaalsContact O-CG 3.31Å; N271-L275 WeakPolarHBondContact O-CG 3.19Å; N271-L275 PolarHBondContact O-N 2.92Å; L272-L275 PolarHBondContact O-N 2.91Å; V273-L275 VanDerWaalsContact C-N 3.31Å; V273-L275 PolarHBondContact O-N 2.94Å; L275-H278 PolarHBondContact O-N 3.18Å; L275-F279 PolarHBondContact O-N 2.85Å; L275-F292 HydrophobicContact CD2-CD1 4Å; L275-F292 HydrophobicContact CD2-CE1 3.97Å; L275-F292 HydrophobicContact CD2-CG 4.34Å; L275-F292 HydrophobicContact CD2-CZ 4.29Å; L275-F292 HydrophobicContact CG-CD1 4.43Å; L275-F292 HydrophobicContact CG-CE1 4.17Å; L275-F294 HydrophobicContact CD1-CE2 4.15Å; L275-F294 HydrophobicContact CD1-CZ 4.28Å; L275-F294 HydrophobicContact CD2-CE2 4.3Å; L275-F294 HydrophobicContact CG-CE2 4.48Å
276T94.1Very high90.5Very high0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-60-45.7175.5-53.30000112.4W205 L206 V209 L272 V273 H278 F279 Y280 F383W205-T276 HydrophobicContact CH2-CG2 3.76Å; W205-T276 HydrophobicContact CZ2-CG2 4.14Å; W205-T276 HydrophobicContact CZ3-CG2 4.49Å; L206-T276 HydrophobicContact CD1-CG2 4.2Å; L206-T276 VanDerWaalsContact CD1-OG1 3.26Å; L206-T276 WeakPolarHBondContact CD1-OG1 3.41Å; V209-T276 HydrophobicContact CB-CG2 4.43Å; V209-T276 HydrophobicContact CG1-CG2 4.02Å; L272-T276 PolarHBondContact O-N 2.89Å; L272-T276 PolarHBondContact O-OG1 3.26Å; L272-T276 VanDerWaalsContact O-OG1 3.07Å; V273-T276 WeakPolarHBondContact O-CB 3.5Å; V273-T276 PolarHBondContact O-N 2.69Å; V273-T276 VanDerWaalsContact O-N 3.15Å; T276-H278 VanDerWaalsContact C-N 3.34Å; T276-H278 PolarHBondContact O-N 3.39Å; T276-F279 WeakPolarHBondContact O-CB 3.5Å; T276-F279 PolarHBondContact O-N 3.03Å; T276-Y280 HydrophobicContact CG2-CD2 4.17Å; T276-Y280 HydrophobicContact CG2-CE2 4.32Å; T276-Y280 PolarHBondContact O-N 2.76Å; T276-F383 HydrophobicContact CG2-CD2 3.79Å; T276-F383 HydrophobicContact CG2-CE2 3.55Å; T276-F383 HydrophobicContact CG2-CZ 4.35Å
277F92.9Very high90.2Very high0 Ų022.9 Ų22.90%013%0.125CC..Hα-helixtrans-63-38.6173.8-90-95.8000112.4V273 F279 C281 A285 I312 I315 L322 L379 W382 F383V273-F277 HydrophobicContact CG1-CD2 3.72Å; V273-F277 HydrophobicContact CG1-CE2 3.76Å; V273-F277 WeakPolarHBondContact O-CD2 3.46Å; V273-F277 PolarHBondContact O-N 2.84Å; F277-F279 VanDerWaalsContact C-N 3.3Å; F277-F279 PolarHBondContact O-N 3.01Å; F277-C281 CarbonylContact O-C 3.23Å; F277-C281 VanDerWaalsContact O-C 3.23Å; F277-C281 WeakPolarHBondContact O-CA 3.18Å; F277-C281 PolarHBondContact O-N 2.71Å; F277-A285 HydrophobicContact CB-CB 3.87Å; F277-I312 HydrophobicContact CB-CD1 3.64Å; F277-I312 HydrophobicContact CD1-CD1 4.28Å; F277-I312 HydrophobicContact CD2-CD1 3.56Å; F277-I312 HydrophobicContact CD2-CG2 4.25Å; F277-I312 HydrophobicContact CE2-CD1 4.23Å; F277-I312 HydrophobicContact CE2-CG2 3.88Å; F277-I312 HydrophobicContact CG-CD1 3.56Å; F277-I312 HydrophobicContact CZ-CG2 4.32Å; F277-I315 HydrophobicContact CD1-CD1 4.43Å; F277-I315 HydrophobicContact CD1-CG2 4.15Å; F277-I315 HydrophobicContact CE1-CG2 3.75Å; F277-L322 HydrophobicContact CE1-CD1 3.75Å; F277-L322 HydrophobicContact CZ-CD1 3.79Å; F277-L322 HydrophobicContact CZ-CD2 4.13Å; F277-L379 HydrophobicContact CD2-CD2 4.46Å; F277-L379 HydrophobicContact CE2-CD2 3.5Å; F277-L379 VanDerWaalsContact CE2-CD2 3.5Å; F277-L379 HydrophobicContact CZ-CD2 3.95Å; F277-W382 HydrophobicContact CE1-CZ3 4.06Å; F277-F383 HydrophobicContact CB-CZ 4.46Å; F277-F383 AromaticContact CD1-CZ 3.93Å; F277-F383 HydrophobicContact CD1-CZ 3.93Å; F277-F383 HydrophobicContact CD2-CE2 4.22Å; F277-F383 AromaticContact CD2-CZ 3.87Å; F277-F383 HydrophobicContact CD2-CZ 3.87Å; F277-F383 HydrophobicContact CE1-CZ 4.1Å; F277-F383 HydrophobicContact CE2-CE2 4.27Å; F277-F383 HydrophobicContact CE2-CZ 4.08Å; F277-F383 AromaticContact CG-CZ 3.82Å; F277-F383 HydrophobicContact CG-CZ 3.82Å; F277-F383 HydrophobicContact CZ-CZ 4.18Å
278H91.9Very high89.9Confident29 Ų2930.5 Ų30.513%0.13416%0.158CC..Hα-helixtrans-66.1-31.2175.9-174.460.2000113.2A274 L275 T276 P282 A285 F292A274-H278 WeakPolarHBondContact O-CB 2.92Å; A274-H278 PolarHBondContact O-N 3.17Å; A274-H278 VanDerWaalsContact O-N 3.1Å; L275-H278 PolarHBondContact O-N 3.18Å; T276-H278 VanDerWaalsContact C-N 3.34Å; T276-H278 PolarHBondContact O-N 3.39Å; H278-P282 WeakPolarHBondContact O-CB 3.27Å; H278-A285 PolarHBondContact ND1-O 2.8Å; H278-F292 HydrophobicContact CB-CE2 3.97Å; H278-F292 HydrophobicContact CB-CZ 3.92Å; H278-F292 AromaticContact CG-CE2 3.84Å
279F91.2Very high89.7Confident19 Ų1934.1 Ų34.18%0.08318%0.177CC..Hα-helixtrans-67.9-55.7177.9-172-96.9000112.4I183 V209 R212 T213 I216 L275 T276 F277 I392I183-F279 HydrophobicContact CB-CZ 4.4Å; I183-F279 HydrophobicContact CG1-CE1 4.11Å; I183-F279 HydrophobicContact CG1-CZ 4.42Å; I183-F279 HydrophobicContact CG2-CZ 4.12Å; V209-F279 HydrophobicContact CG1-CB 3.66Å; V209-F279 HydrophobicContact CG1-CD1 3.93Å; V209-F279 HydrophobicContact CG1-CD2 4.38Å; V209-F279 HydrophobicContact CG1-CG 3.73Å; R212-F279 HydrophobicContact CB-CE2 4.29Å; R212-F279 HydrophobicContact CG-CE2 3.74Å; R212-F279 HydrophobicContact CG-CZ 4.32Å; T213-F279 WeakPolarHBondContact OG1-CB 3.28Å; T213-F279 WeakPolarHBondContact OG1-CD2 3.41Å; I216-F279 HydrophobicContact CD1-CD2 4.37Å; I216-F279 HydrophobicContact CD1-CE2 3.85Å; L275-F279 PolarHBondContact O-N 2.85Å; T276-F279 WeakPolarHBondContact O-CB 3.5Å; T276-F279 PolarHBondContact O-N 3.03Å; F277-F279 VanDerWaalsContact C-N 3.3Å; F277-F279 PolarHBondContact O-N 3.01Å; F279-I392 HydrophobicContact CE1-CD1 4.05Å; F279-I392 HydrophobicContact CZ-CD1 3.84Å; F279-I392 HydrophobicContact CZ-CG1 4.46Å
280Y89.2Confident89.7Confident21 Ų2134.8 Ų34.88%0.08218%0.18CC..Hα-helixtrans-84.1-38.3-173.9-75.5-83.9000113W205 V209 T276 P282 F383 P388W205-Y280 HydrophobicContact CZ2-CE2 4.02Å; V209-Y280 HydrophobicContact CG1-CD2 4.48Å; V209-Y280 HydrophobicContact CG1-CE2 4.15Å; V209-Y280 HydrophobicContact CG2-CE2 4.05Å; T276-Y280 HydrophobicContact CG2-CD2 4.17Å; T276-Y280 HydrophobicContact CG2-CE2 4.32Å; T276-Y280 PolarHBondContact O-N 2.76Å; Y280-P282 WeakPolarHBondContact O-CD 3.42Å; Y280-F383 HydrophobicContact CD1-CB 4.04Å; Y280-F383 HydrophobicContact CD1-CD1 4.08Å; Y280-F383 HydrophobicContact CD1-CG 4.34Å; Y280-F383 HydrophobicContact CD2-CB 3.92Å; Y280-F383 AromaticContact CD2-CD1 3.73Å; Y280-F383 HydrophobicContact CD2-CD1 3.73Å; Y280-F383 HydrophobicContact CD2-CD2 4.12Å; Y280-F383 HydrophobicContact CD2-CE1 4.21Å; Y280-F383 AromaticContact CD2-CG 3.68Å; Y280-F383 HydrophobicContact CD2-CG 3.68Å; Y280-F383 HydrophobicContact CE1-CB 4.04Å; Y280-F383 HydrophobicContact CE2-CB 3.93Å; Y280-F383 HydrophobicContact CE2-CD2 4.49Å; Y280-F383 HydrophobicContact CE2-CG 4.13Å; Y280-F383 HydrophobicContact CG-CB 3.99Å; Y280-F383 AromaticContact CG-CD1 3.45Å; Y280-F383 HydrophobicContact CG-CD1 3.45Å; Y280-F383 VanDerWaalsContact CG-CD1 3.45Å; Y280-F383 HydrophobicContact CG-CE1 4.02Å; Y280-F383 AromaticContact CG-CG 3.81Å; Y280-F383 HydrophobicContact CG-CG 3.81Å; Y280-P388 HydrophobicContact CD1-CB 4.28Å; Y280-P388 HydrophobicContact CD1-CG 3.94Å; Y280-P388 HydrophobicContact CE1-CG 4.14Å
281C86.5Confident89.6Confident28 Ų2837.6 Ų37.619%0.18920%0.195CC..  trans-125.959.7-174.6-600000112.3F277 E283 L284 A285F277-C281 CarbonylContact O-C 3.23Å; F277-C281 VanDerWaalsContact O-C 3.23Å; F277-C281 WeakPolarHBondContact O-CA 3.18Å; F277-C281 PolarHBondContact O-N 2.71Å; C281-E283 PolarHBondContact O-N 3.13Å; C281-L284 HydrophobicContact CB-CB 4.14Å; C281-L284 HydrophobicContact CB-CD1 4.13Å; C281-L284 HydrophobicContact CB-CG 4.33Å; C281-L284 PolarHBondContact O-N 3.4Å; C281-A285 PolarHBondContact O-N 3.22Å
282P84.1Confident89.4Confident43 Ų4338.6 Ų38.628%0.27920%0.199SC..THydrogen-bonded Turntrans-61.4-15.7-178.525.8-35.5000114.4H278 Y280 A285 P286H278-P282 WeakPolarHBondContact O-CB 3.27Å; Y280-P282 WeakPolarHBondContact O-CD 3.42Å; P282-A285 CarbonylContact O-C 2.96Å; P282-P286 WeakPolarHBondContact O-CA 3.22Å; P282-P286 WeakPolarHBondContact O-CB 3.42Å
283E83.7Confident89.1Confident182 Ų18243.9 Ų43.985%0.8523%0.228SC*.THydrogen-bonded Turntrans-76.8-40.2173.1-59.3-171.717300112.6C281C281-E283 PolarHBondContact O-N 3.13Å
284L82.7Confident89Confident83 Ų8344.9 Ų44.944%0.43523%0.232SC..THydrogen-bonded Turntrans-78.3-32.9174.4-62.5178.6000111.7C281 P286 I315C281-L284 HydrophobicContact CB-CB 4.14Å; C281-L284 HydrophobicContact CB-CD1 4.13Å; C281-L284 HydrophobicContact CB-CG 4.33Å; C281-L284 PolarHBondContact O-N 3.4Å; L284-P286 WeakPolarHBondContact O-CD 3.32Å; L284-I315 HydrophobicContact CB-CD1 4.44Å; L284-I315 HydrophobicContact CB-CG2 4.37Å; L284-I315 HydrophobicContact CD1-CG2 4.29Å; L284-I315 WeakPolarHBondContact O-CD1 3.33Å
285A86.6Confident88.7Confident0 Ų047 Ų470%025%0.246CC..SBendtrans-121.664.618000000112.5F277 H278 C281 P282 F290 I315F277-A285 HydrophobicContact CB-CB 3.87Å; H278-A285 PolarHBondContact ND1-O 2.8Å; C281-A285 PolarHBondContact O-N 3.22Å; P282-A285 CarbonylContact O-C 2.96Å; A285-F290 HydrophobicContact CB-CD2 4.36Å; A285-F290 HydrophobicContact CB-CE2 3.68Å; A285-F290 HydrophobicContact CB-CZ 3.97Å; A285-I315 HydrophobicContact CB-CD1 4.12Å
286P85.3Confident88.2Confident27 Ų2751.9 Ų51.918%0.17528%0.277CS..  trans-73.5136-179.131.7-36.2000110.9P282 L284 K288 D289P282-P286 WeakPolarHBondContact O-CA 3.22Å; P282-P286 WeakPolarHBondContact O-CB 3.42Å; L284-P286 WeakPolarHBondContact O-CD 3.32Å; P286-K288 HydrophobicContact CB-CG 4.08Å; P286-K288 HydrophobicContact CG-CG 4.26Å; P286-K288 PolarHBondContact O-N 3.05Å; P286-D289 HydrophobicContact CG-CB 4.48Å; P286-D289 VanDerWaalsContact CG-OD2 3.28Å; P286-D289 WeakPolarHBondContact CG-OD2 3.36Å; P286-D289 PolarHBondContact O-N 3Å
287A83.1Confident87.9Confident44 Ų4454.3 Ų54.336%0.36429%0.292SS..THydrogen-bonded Turntrans-59.8-8.9-172.500000116F292A287-F292 HydrophobicContact CB-CD2 4.17Å; A287-F292 HydrophobicContact CB-CE2 4.19Å
288K85.3Confident87.7Confident160 Ų16054.3 Ų54.370%0.69629%0.292SS*.THydrogen-bonded Turntrans-75.8-24.1171.753.2163.4-173.777.50114P286P286-K288 HydrophobicContact CB-CG 4.08Å; P286-K288 HydrophobicContact CG-CG 4.26Å; P286-K288 PolarHBondContact O-N 3.05Å
289D87.5Confident87.6Confident79 Ų7956.6 Ų56.642%0.42230%0.303SS..SBendtrans-100.7-4.9-175-57.5-18.3000111.8P286 H307P286-D289 HydrophobicContact CG-CB 4.48Å; P286-D289 VanDerWaalsContact CG-OD2 3.28Å; P286-D289 WeakPolarHBondContact CG-OD2 3.36Å; P286-D289 PolarHBondContact O-N 3Å; D289-H307 PolarHBondContact O-NE2 3.47Å
290F92.2Very high87.4Confident13 Ų1356.7 Ų56.76%0.05730%0.304CS..SBendtrans-115.5152.7-178.7-77.9-96.9000111.8A274 A285 F292 N308 A311 I312 I315A274-F290 HydrophobicContact CB-CD1 3.76Å; A274-F290 HydrophobicContact CB-CE1 3.77Å; A285-F290 HydrophobicContact CB-CD2 4.36Å; A285-F290 HydrophobicContact CB-CE2 3.68Å; A285-F290 HydrophobicContact CB-CZ 3.97Å; F290-F292 HydrophobicContact CB-CD1 4.32Å; F290-F292 HydrophobicContact CB-CD2 4.22Å; F290-F292 HydrophobicContact CB-CE1 3.86Å; F290-F292 HydrophobicContact CB-CE2 3.75Å; F290-F292 HydrophobicContact CB-CG 4.49Å; F290-F292 HydrophobicContact CB-CZ 3.55Å; F290-F292 HydrophobicContact CD1-CE1 4.19Å; F290-F292 HydrophobicContact CD1-CZ 4.07Å; F290-F292 HydrophobicContact CG-CE1 4.33Å; F290-F292 HydrophobicContact CG-CE2 4.42Å; F290-F292 AromaticContact CG-CZ 3.89Å; F290-F292 HydrophobicContact CG-CZ 3.89Å; F290-N308 HydrophobicContact CD1-CB 4.27Å; F290-A311 HydrophobicContact CD1-CB 4.37Å; F290-A311 HydrophobicContact CE1-CB 3.68Å; F290-A311 HydrophobicContact CE2-CB 3.99Å; F290-A311 HydrophobicContact CZ-CB 3.46Å; F290-A311 VanDerWaalsContact CZ-CB 3.46Å; F290-I312 HydrophobicContact CE1-CD1 3.76Å; F290-I312 HydrophobicContact CE1-CG1 3.94Å; F290-I312 HydrophobicContact CZ-CD1 3.82Å; F290-I312 HydrophobicContact CZ-CG1 4.3Å; F290-I315 HydrophobicContact CZ-CD1 4.13Å
291L90Very high87.2Confident60 Ų6062.3 Ų62.331%0.31433%0.331SS..  trans-100.894.6177.8-63.5176.3000109.6M300 A304 H307 N308L291-M300 HydrophobicContact CB-CE 4.32Å; L291-M300 HydrophobicContact CB-SD 4.37Å; L291-M300 WeakPolarHBondContact O-CE 3.29Å; L291-A304 HydrophobicContact CB-CB 4.41Å; L291-A304 HydrophobicContact CD1-CB 3.63Å; L291-H307 HydrophobicContact CD1-CB 4.02Å; L291-N308 PolarHBondContact N-OD1 3.31Å; L291-N308 PolarHBondContact O-ND2 3.46Å
292F91.1Very high87.2Confident21 Ų2163.5 Ų63.59%0.09234%0.338CS..  trans-106.319.4177.5-59.4-37.8000113.2L217 I219 A274 L275 H278 A287 F290 F294L217-F292 HydrophobicContact CD1-CD2 3.94Å; L217-F292 HydrophobicContact CD1-CE2 4.38Å; I219-F292 HydrophobicContact CD1-CB 3.83Å; A274-F292 HydrophobicContact CB-CE1 3.91Å; A274-F292 HydrophobicContact CB-CZ 4.44Å; L275-F292 HydrophobicContact CD2-CD1 4Å; L275-F292 HydrophobicContact CD2-CE1 3.97Å; L275-F292 HydrophobicContact CD2-CG 4.34Å; L275-F292 HydrophobicContact CD2-CZ 4.29Å; L275-F292 HydrophobicContact CG-CD1 4.43Å; L275-F292 HydrophobicContact CG-CE1 4.17Å; H278-F292 HydrophobicContact CB-CE2 3.97Å; H278-F292 HydrophobicContact CB-CZ 3.92Å; H278-F292 AromaticContact CG-CE2 3.84Å; A287-F292 HydrophobicContact CB-CD2 4.17Å; A287-F292 HydrophobicContact CB-CE2 4.19Å; F290-F292 HydrophobicContact CB-CD1 4.32Å; F290-F292 HydrophobicContact CB-CD2 4.22Å; F290-F292 HydrophobicContact CB-CE1 3.86Å; F290-F292 HydrophobicContact CB-CE2 3.75Å; F290-F292 HydrophobicContact CB-CG 4.49Å; F290-F292 HydrophobicContact CB-CZ 3.55Å; F290-F292 HydrophobicContact CD1-CE1 4.19Å; F290-F292 HydrophobicContact CD1-CZ 4.07Å; F290-F292 HydrophobicContact CG-CE1 4.33Å; F290-F292 HydrophobicContact CG-CE2 4.42Å; F290-F292 AromaticContact CG-CZ 3.89Å; F290-F292 HydrophobicContact CG-CZ 3.89Å; F292-F294 HydrophobicContact CB-CD2 4.34Å; F292-F294 HydrophobicContact CB-CE2 3.81Å; F292-F294 AromaticContact CD1-CE2 3.83Å; F292-F294 HydrophobicContact CD1-CE2 3.83Å; F292-F294 AromaticContact CD1-CZ 3.93Å; F292-F294 HydrophobicContact CD1-CZ 3.93Å; F292-F294 HydrophobicContact CG-CE2 4.23Å; F292-F294 WeakPolarHBondContact O-CD2 3.21Å; F292-F294 PolarHBondContact O-N 2.86Å
293N89.2Confident87.3Confident112 Ų11264.4 Ų64.460%0.59935%0.349SS*.  trans-80.355.2178.957.8-77.3000112.5
294F91.7Very high87.5Confident21 Ų2156.4 Ų56.49%0.09232%0.315CS..  trans-66.9140.9-177.1-58.1-72.1000112.6I219 F263 L267 N271 L275 F292 M300I219-F294 HydrophobicContact CD1-CD2 4.41Å; I219-F294 HydrophobicContact CG2-CB 4.41Å; I219-F294 HydrophobicContact CG2-CD2 4.11Å; F263-F294 HydrophobicContact CE2-CB 3.61Å; F263-F294 HydrophobicContact CE2-CG 4.39Å; F263-F294 HydrophobicContact CZ-CB 3.77Å; F263-F294 HydrophobicContact CZ-CD2 4.14Å; F263-F294 HydrophobicContact CZ-CG 4.07Å; L267-F294 HydrophobicContact CD2-CD1 3.69Å; L267-F294 HydrophobicContact CD2-CE1 3.69Å; L267-F294 HydrophobicContact CD2-CG 4.17Å; L267-F294 HydrophobicContact CD2-CZ 4.13Å; N271-F294 HydrophobicContact CB-CE1 3.72Å; N271-F294 HydrophobicContact CB-CZ 3.9Å; L275-F294 HydrophobicContact CD1-CE2 4.15Å; L275-F294 HydrophobicContact CD1-CZ 4.28Å; L275-F294 HydrophobicContact CD2-CE2 4.3Å; L275-F294 HydrophobicContact CG-CE2 4.48Å; F292-F294 HydrophobicContact CB-CD2 4.34Å; F292-F294 HydrophobicContact CB-CE2 3.81Å; F292-F294 AromaticContact CD1-CE2 3.83Å; F292-F294 HydrophobicContact CD1-CE2 3.83Å; F292-F294 AromaticContact CD1-CZ 3.93Å; F292-F294 HydrophobicContact CD1-CZ 3.93Å; F292-F294 HydrophobicContact CG-CE2 4.23Å; F292-F294 WeakPolarHBondContact O-CD2 3.21Å; F292-F294 PolarHBondContact O-N 2.86Å; F294-M300 HydrophobicContact CD1-CB 4.21Å; F294-M300 HydrophobicContact CD1-SD 4.26Å; F294-M300 HydrophobicContact CE1-CB 4.5Å; F294-M300 HydrophobicContact CE1-CE 4.05Å; F294-M300 HydrophobicContact CE1-SD 4.23Å
295P89.3Confident88Confident46 Ų4652.5 Ų52.530%0.29929%0.294SS..  trans-75168.5167.932.1-33.4000111.2F263 T297 G298 E299F263-P295 WeakPolarHBondContact CD2-O 3.41Å; F263-P295 WeakPolarHBondContact CE2-O 3.33Å; P295-T297 PolarHBondContact O-N 2.75Å; P295-G298 PolarHBondContact O-N 2.74Å; P295-E299 WeakPolarHBondContact CG-O 3.15Å
296P85.5Confident88.2Confident101 Ų10155.2 Ų55.266%0.65631%0.307SS*.THydrogen-bonded Turntrans-59.9-6.7176.3-25.135.2000115.6
297T87.1Confident88.5Confident51 Ų5158 Ų5831%0.31332%0.317SS..THydrogen-bonded Turntrans-96.8-3.3173.749.90000113.6G266 P295 E299G266-T297 WeakPolarHBondContact CA-O 3.4Å; P295-T297 PolarHBondContact O-N 2.75Å; T297-E299 PolarHBondContact O-N 2.62Å
298G88.5Confident89Confident0 Ų055.9 Ų55.90%030%0.3CS..  trans69.5-33-17200000115F263 G266 P295 M300F263-G298 WeakPolarHBondContact O-CA 3.46Å; G266-G298 CarbonylContact O-C 3.56Å; P295-G298 PolarHBondContact O-N 2.74Å; G298-M300 PolarHBondContact O-N 3.11Å
299E88.7Confident89.4Confident78 Ų7848.3 Ų48.336%0.36427%0.267SS..  trans-59.3101.5179.3-65.5180-124.100112.2G266 P295 T297 R363G266-E299 WeakPolarHBondContact O-CA 3.39Å; G266-E299 PolarHBondContact O-N 2.73Å; P295-E299 WeakPolarHBondContact CG-O 3.15Å; T297-E299 PolarHBondContact O-N 2.62Å; E299-R363 IonicContact OE1-CZ 3.52Å; E299-R363 IonicContact OE1-NH1 2.69Å; E299-R363 PolarHBondContact OE1-NH1 2.81Å; E299-R363 VanDerWaalsContact OE1-NH1 3.17Å; E299-R363 IonicContact OE1-NH2 3.34Å; E299-R363 PolarHBondContact OE1-NH2 2.61Å; E299-R363 IonicContact OE2-CZ 2.66Å; E299-R363 IonicContact OE2-NH1 3.77Å; E299-R363 PolarHBondContact OE2-NH1 3.27Å; E299-R363 IonicContact OE2-NH2 3.7Å
300M87.7Confident89.5Confident20 Ų2050.7 Ų50.710%0.09927%0.27CS..  trans-95.3158.6176.3-165.9168.760.300111.6N271 L291 F294 G298 A304 N308N271-M300 WeakPolarHBondContact OD1-CE 3.22Å; L291-M300 HydrophobicContact CB-CE 4.32Å; L291-M300 HydrophobicContact CB-SD 4.37Å; L291-M300 WeakPolarHBondContact O-CE 3.29Å; F294-M300 HydrophobicContact CD1-CB 4.21Å; F294-M300 HydrophobicContact CD1-SD 4.26Å; F294-M300 HydrophobicContact CE1-CB 4.5Å; F294-M300 HydrophobicContact CE1-CE 4.05Å; F294-M300 HydrophobicContact CE1-SD 4.23Å; G298-M300 PolarHBondContact O-N 3.11Å; M300-A304 HydrophobicContact CE-CB 3.73Å; M300-A304 HydrophobicContact CG-CB 3.9Å; M300-A304 HydrophobicContact SD-CB 3.77Å; M300-N308 WeakPolarHBondContact CE-ND2 3.31Å
301E86Confident89.5Confident139 Ų13951 Ų5165%0.6527%0.274SS*.  trans-58137.1176.8-173178.2-179.700111.5A303 A304 S305E301-A303 HydrophobicContact CG-CB 4.44Å; E301-A303 PolarHBondContact O-N 3.03Å; E301-A303 VanDerWaalsContact O-N 3.08Å; E301-A304 PolarHBondContact O-N 3.48Å; E301-S305 PolarHBondContact O-N 3.31Å; E301-S305 VanDerWaalsContact O-N 3.12Å; E301-S305 PolarHBondContact O-OG 3.49Å
302P85.3Confident89.6Confident54 Ų5448.1 Ų48.135%0.35126%0.26SS..Hα-helixtrans-55.2-33-176.5-23.630.7000114S305 H306 L354P302-S305 PolarHBondContact O-N 3.33Å; P302-H306 VanDerWaalsContact O-CB 3.27Å; P302-H306 WeakPolarHBondContact O-CB 3.08Å; P302-H306 PolarHBondContact O-N 2.99Å; P302-L354 HydrophobicContact CB-CD1 4.29Å; P302-L354 HydrophobicContact CG-CD1 4.22Å
303A85.6Confident89.6Confident61 Ų6147.1 Ų47.150%0.50426%0.255SS..Hα-helixtrans-66.8-38.1177.600000113E301 H306 H307E301-A303 HydrophobicContact CG-CB 4.44Å; E301-A303 PolarHBondContact O-N 3.03Å; E301-A303 VanDerWaalsContact O-N 3.08Å; A303-H306 PolarHBondContact O-N 3.16Å; A303-H307 PolarHBondContact O-N 3.42Å
304A89.8Confident89.6Confident15 Ų1545.8 Ų45.812%0.12425%0.247CC..Hα-helixtrans-73.7-37.6176.800000111.6L291 M300 E301 H306 H307 N308L291-A304 HydrophobicContact CB-CB 4.41Å; L291-A304 HydrophobicContact CD1-CB 3.63Å; M300-A304 HydrophobicContact CE-CB 3.73Å; M300-A304 HydrophobicContact CG-CB 3.9Å; M300-A304 HydrophobicContact SD-CB 3.77Å; E301-A304 PolarHBondContact O-N 3.48Å; A304-H306 VanDerWaalsContact C-N 3.32Å; A304-H307 WeakPolarHBondContact O-CB 3.35Å; A304-H307 PolarHBondContact O-N 2.58Å; A304-N308 PolarHBondContact O-N 3.34Å; A304-N308 VanDerWaalsContact O-N 3.12Å
305S92.2Very high89.5Confident0 Ų045.6 Ų45.60%025%0.247CC..Hα-helixtrans-65.2-35.5171-57.40000112.1A270 N271 E301 P302 N308 A309 C357A270-S305 WeakPolarHBondContact CB-O 3.24Å; N271-S305 PolarHBondContact ND2-OG 2.79Å; E301-S305 PolarHBondContact O-N 3.31Å; E301-S305 VanDerWaalsContact O-N 3.12Å; E301-S305 PolarHBondContact O-OG 3.49Å; P302-S305 PolarHBondContact O-N 3.33Å; S305-N308 PolarHBondContact O-N 3Å; S305-A309 WeakPolarHBondContact O-CB 3.47Å; S305-A309 PolarHBondContact O-N 2.59Å; S305-C357 WeakPolarHBondContact CB-O 3.23Å; S305-C357 PolarHBondContact OG-O 3.44Å
306H90.9Very high89.5Confident58 Ų5843.4 Ų43.427%0.26923%0.233SC..Hα-helixtrans-69.3-35.6174.6-178.3-158.2000112.1P302 A303 A304 A309 R310 S332P302-H306 VanDerWaalsContact O-CB 3.27Å; P302-H306 WeakPolarHBondContact O-CB 3.08Å; P302-H306 PolarHBondContact O-N 2.99Å; A303-H306 PolarHBondContact O-N 3.16Å; A304-H306 VanDerWaalsContact C-N 3.32Å; H306-A309 PolarHBondContact O-N 3.4Å; H306-R310 VanDerWaalsContact O-CB 3.31Å; H306-R310 WeakPolarHBondContact O-CB 3.24Å; H306-R310 PolarHBondContact O-N 2.84Å; H306-S332 PolarHBondContact NE2-O 2.9Å
307H92Very high89.5Confident85 Ų8541.6 Ų41.639%0.39422%0.216SC..Hα-helixtrans-57.9-49.1168.9173.985.9000111.2D289 L291 A303 A304 A309 R310 A311D289-H307 PolarHBondContact O-NE2 3.47Å; L291-H307 HydrophobicContact CD1-CB 4.02Å; A303-H307 PolarHBondContact O-N 3.42Å; A304-H307 WeakPolarHBondContact O-CB 3.35Å; A304-H307 PolarHBondContact O-N 2.58Å; H307-A309 PolarHBondContact O-N 2.73Å; H307-R310 PolarHBondContact O-N 2.52Å; H307-A311 PolarHBondContact O-N 2.9Å
308N94Very high89.4Confident0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-58.8-47.2175.3-71.5-13.7000111.7N271 A274 F290 L291 M300 A304 S305 R310 A311 I312N271-N308 PolarHBondContact OD1-ND2 3.46Å; A274-N308 HydrophobicContact CB-CB 4.05Å; F290-N308 HydrophobicContact CD1-CB 4.27Å; L291-N308 PolarHBondContact N-OD1 3.31Å; L291-N308 PolarHBondContact O-ND2 3.46Å; M300-N308 WeakPolarHBondContact CE-ND2 3.31Å; A304-N308 PolarHBondContact O-N 3.34Å; A304-N308 VanDerWaalsContact O-N 3.12Å; S305-N308 PolarHBondContact O-N 3Å; N308-R310 VanDerWaalsContact C-N 3.3Å; N308-R310 PolarHBondContact O-N 3.44Å; N308-A311 PolarHBondContact O-N 2.98Å; N308-I312 WeakPolarHBondContact O-CG1 3.36Å; N308-I312 PolarHBondContact O-N 2.98Å
309A92Very high89.2Confident0 Ų047.7 Ų47.70%025%0.247CC..Hα-helixtrans-60.7-37176.900000112.8A270 S305 H306 H307 A313 M329 C333 F356A270-A309 HydrophobicContact CB-CB 3.92Å; S305-A309 WeakPolarHBondContact O-CB 3.47Å; S305-A309 PolarHBondContact O-N 2.59Å; H306-A309 PolarHBondContact O-N 3.4Å; H307-A309 PolarHBondContact O-N 2.73Å; A309-A313 WeakPolarHBondContact O-CB 3.38Å; A309-A313 PolarHBondContact O-N 2.95Å; A309-M329 HydrophobicContact CB-CE 4.13Å; A309-M329 WeakPolarHBondContact O-CE 3.42Å; A309-C333 HydrophobicContact CB-CB 4.43Å; A309-F356 HydrophobicContact CB-CD1 4.15Å; A309-F356 HydrophobicContact CB-CE1 3.87Å
310R91.3Very high88.8Confident129 Ų12949.9 Ų49.949%0.48726%0.26SS..Hα-helixtrans-70.1-37.3176.4-179.4170.7-174.2178.23.1112.4H306 H307 N308 A313 L314 C333H306-R310 VanDerWaalsContact O-CB 3.31Å; H306-R310 WeakPolarHBondContact O-CB 3.24Å; H306-R310 PolarHBondContact O-N 2.84Å; H307-R310 PolarHBondContact O-N 2.52Å; N308-R310 VanDerWaalsContact C-N 3.3Å; N308-R310 PolarHBondContact O-N 3.44Å; R310-A313 PolarHBondContact O-N 2.96Å; R310-L314 WeakPolarHBondContact O-CG 3.36Å; R310-L314 PolarHBondContact O-N 3.36Å; R310-L314 VanDerWaalsContact O-N 3.09Å; R310-C333 WeakPolarHBondContact CG-O 2.92Å
311A91.8Very high88.3Confident19 Ų1954.6 Ų54.616%0.15729%0.285CS..Hα-helixtrans-62.9-44.9173.900000111.2F290 H307 N308 L314 I315F290-A311 HydrophobicContact CD1-CB 4.37Å; F290-A311 HydrophobicContact CE1-CB 3.68Å; F290-A311 HydrophobicContact CE2-CB 3.99Å; F290-A311 HydrophobicContact CZ-CB 3.46Å; F290-A311 VanDerWaalsContact CZ-CB 3.46Å; H307-A311 PolarHBondContact O-N 2.9Å; N308-A311 PolarHBondContact O-N 2.98Å; A311-L314 PolarHBondContact O-N 3.41Å; A311-I315 WeakPolarHBondContact O-CG1 3.32Å; A311-I315 PolarHBondContact O-N 2.91Å; A311-I315 VanDerWaalsContact O-N 3.15Å
312I92.4Very high88.2Confident1 Ų148 Ų481%0.00526%0.255CS..Hα-helixtrans-62.2-45173.8-59.9-66000111.5V273 A274 F277 F290 N308 L314 I315 C316 M329V273-I312 HydrophobicContact CG1-CD1 4.46Å; V273-I312 HydrophobicContact CG1-CG1 4.35Å; V273-I312 HydrophobicContact CG1-CG2 3.88Å; A274-I312 HydrophobicContact CB-CD1 4.37Å; A274-I312 HydrophobicContact CB-CG1 4.3Å; F277-I312 HydrophobicContact CB-CD1 3.64Å; F277-I312 HydrophobicContact CD1-CD1 4.28Å; F277-I312 HydrophobicContact CD2-CD1 3.56Å; F277-I312 HydrophobicContact CD2-CG2 4.25Å; F277-I312 HydrophobicContact CE2-CD1 4.23Å; F277-I312 HydrophobicContact CE2-CG2 3.88Å; F277-I312 HydrophobicContact CG-CD1 3.56Å; F277-I312 HydrophobicContact CZ-CG2 4.32Å; F290-I312 HydrophobicContact CE1-CD1 3.76Å; F290-I312 HydrophobicContact CE1-CG1 3.94Å; F290-I312 HydrophobicContact CZ-CD1 3.82Å; F290-I312 HydrophobicContact CZ-CG1 4.3Å; N308-I312 WeakPolarHBondContact O-CG1 3.36Å; N308-I312 PolarHBondContact O-N 2.98Å; I312-L314 PolarHBondContact O-N 3.45Å; I312-I315 HydrophobicContact CD1-CD1 4.39Å; I312-I315 WeakPolarHBondContact O-CB 3.49Å; I312-I315 PolarHBondContact O-N 2.92Å; I312-C316 PolarHBondContact O-N 3.46Å; I312-C316 PolarHBondContact O-SG 2.88Å; I312-C316 VanDerWaalsContact O-SG 3.35Å; I312-M329 HydrophobicContact CB-CE 4.12Å; I312-M329 HydrophobicContact CG2-CE 4.05Å; I312-M329 HydrophobicContact CG2-SD 3.87Å
313A90Very high87.7Confident0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-57.8-35.5177.500000112.9A309 R310 Q317 L326 M329 C333 N334A309-A313 WeakPolarHBondContact O-CB 3.38Å; A309-A313 PolarHBondContact O-N 2.95Å; R310-A313 PolarHBondContact O-N 2.96Å; A313-Q317 WeakPolarHBondContact O-CB 3.34Å; A313-Q317 WeakPolarHBondContact O-CG 3.15Å; A313-Q317 PolarHBondContact O-N 2.76Å; A313-L326 HydrophobicContact CB-CD1 4.17Å; A313-M329 HydrophobicContact CB-CE 4.4Å; A313-M329 HydrophobicContact CB-SD 4.48Å; A313-C333 HydrophobicContact CB-CB 4.02Å; A313-N334 WeakPolarHBondContact CB-OD1 3.26Å
314L89.5Confident87.1Confident83 Ų8350 Ų5044%0.43525%0.247SC..Hα-helixtrans-71-35.7174.2-69.8167.7000112.5R310 A311 I312 Q317 N318R310-L314 WeakPolarHBondContact O-CG 3.36Å; R310-L314 PolarHBondContact O-N 3.36Å; R310-L314 VanDerWaalsContact O-N 3.09Å; A311-L314 PolarHBondContact O-N 3.41Å; I312-L314 PolarHBondContact O-N 3.45Å; L314-Q317 PolarHBondContact O-N 2.95Å; L314-N318 PolarHBondContact O-N 3.39Å; L314-N318 PolarHBondContact O-ND2 2.76Å; L314-N318 VanDerWaalsContact O-ND2 3.13Å
315I90.1Very high86.5Confident17 Ų1749.3 Ų49.39%0.08724%0.241CC..Hα-helixtrans-64.5-46.7172.9-63.3165.6000109.9F277 L284 A285 F290 A311 I312 Q317 N318 N319 L322F277-I315 HydrophobicContact CD1-CD1 4.43Å; F277-I315 HydrophobicContact CD1-CG2 4.15Å; F277-I315 HydrophobicContact CE1-CG2 3.75Å; L284-I315 HydrophobicContact CB-CD1 4.44Å; L284-I315 HydrophobicContact CB-CG2 4.37Å; L284-I315 HydrophobicContact CD1-CG2 4.29Å; L284-I315 WeakPolarHBondContact O-CD1 3.33Å; A285-I315 HydrophobicContact CB-CD1 4.12Å; F290-I315 HydrophobicContact CZ-CD1 4.13Å; A311-I315 WeakPolarHBondContact O-CG1 3.32Å; A311-I315 PolarHBondContact O-N 2.91Å; A311-I315 VanDerWaalsContact O-N 3.15Å; I312-I315 HydrophobicContact CD1-CD1 4.39Å; I312-I315 WeakPolarHBondContact O-CB 3.49Å; I312-I315 PolarHBondContact O-N 2.92Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.17Å; I315-N318 PolarHBondContact O-N 3.14Å; I315-N319 PolarHBondContact O-N 2.95Å; I315-N319 PolarHBondContact O-ND2 3.41Å; I315-L322 HydrophobicContact CG2-CD1 4.42Å
316C88.3Confident85.8Confident0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-70.8-21.5179.3-55.90000113.7I312 N318 L322 L326I312-C316 PolarHBondContact O-N 3.46Å; I312-C316 PolarHBondContact O-SG 2.88Å; I312-C316 VanDerWaalsContact O-SG 3.35Å; C316-N318 VanDerWaalsContact C-N 3.34Å; C316-L322 HydrophobicContact CB-CB 3.88Å; C316-L326 HydrophobicContact CB-CB 3.93Å; C316-L326 HydrophobicContact CB-CD1 4.17Å
317Q86.6Confident84.7Confident63 Ų6352.6 Ų52.629%0.29426%0.256SS..Hα-helixtrans-71.9-27.5171-80.8169.331.900113A313 L314 I315 L326 N334A313-Q317 WeakPolarHBondContact O-CB 3.34Å; A313-Q317 WeakPolarHBondContact O-CG 3.15Å; A313-Q317 PolarHBondContact O-N 2.76Å; L314-Q317 PolarHBondContact O-N 2.95Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.17Å; Q317-L326 HydrophobicContact CB-CD2 4.45Å; Q317-L326 HydrophobicContact CG-CD1 4.02Å; Q317-L326 HydrophobicContact CG-CD2 3.58Å; Q317-L326 HydrophobicContact CG-CG 4.47Å; Q317-N334 PolarHBondContact NE2-O 2.66Å
318N85.1Confident83.9Confident134 Ų13450.5 Ų50.572%0.71725%0.247SC*.SBendtrans-93.7-4.7-176.9-66.1-28.8000113.6L314 I315 C316L314-N318 PolarHBondContact O-N 3.39Å; L314-N318 PolarHBondContact O-ND2 2.76Å; L314-N318 VanDerWaalsContact O-ND2 3.13Å; I315-N318 PolarHBondContact O-N 3.14Å; C316-N318 VanDerWaalsContact C-N 3.34Å
319N83.4Confident83Confident46 Ų4650.7 Ų50.725%0.24625%0.248CC..  trans-128.3113.5-177.2-67.2-79.9000109.5I315 D321 L322I315-N319 PolarHBondContact O-N 2.95Å; I315-N319 PolarHBondContact O-ND2 3.41Å; N319-D321 VanDerWaalsContact C-N 3.29Å; N319-D321 PolarHBondContact O-N 3.25Å; N319-L322 HydrophobicContact CB-CB 4.25Å; N319-L322 HydrophobicContact CB-CD1 4.03Å; N319-L322 HydrophobicContact CB-CG 4.35Å; N319-L322 PolarHBondContact O-N 3.4Å
320I80.3Confident82.1Confident124 Ų12451.4 Ų51.464%0.63625%0.253SS*.G310 helixtrans-59.8-40.2-172.6-63.2172.6000111.4L322 Y323I320-L322 PolarHBondContact O-N 3.48Å; I320-L322 VanDerWaalsContact O-N 3.17Å; I320-Y323 HydrophobicContact CB-CE2 4.24Å; I320-Y323 HydrophobicContact CG1-CE2 4.18Å; I320-Y323 HydrophobicContact CG2-CD2 4.07Å; I320-Y323 HydrophobicContact CG2-CE2 3.95Å; I320-Y323 VanDerWaalsContact O-CB 3.31Å; I320-Y323 WeakPolarHBondContact O-CB 3.32Å; I320-Y323 WeakPolarHBondContact O-CD2 3.19Å; I320-Y323 VanDerWaalsContact O-CG 3.23Å; I320-Y323 PolarHBondContact O-N 3.13Å
321D78.1Confident80.9Confident119 Ų11946.9 Ų46.964%0.63624%0.238SC*.G310 helixtrans-63.6-22.2-179.6-40.1-42.6000113N319N319-D321 VanDerWaalsContact C-N 3.29Å; N319-D321 PolarHBondContact O-N 3.25Å
322L83.1Confident79.9Confident1 Ų147.8 Ų47.81%0.00524%0.243CC..G310 helixtrans-92.46178.3-74.1174.5000113.5F277 I315 C316 N319 I320 N324 V325 L326 L379 W382F277-L322 HydrophobicContact CE1-CD1 3.75Å; F277-L322 HydrophobicContact CZ-CD1 3.79Å; F277-L322 HydrophobicContact CZ-CD2 4.13Å; I315-L322 HydrophobicContact CG2-CD1 4.42Å; C316-L322 HydrophobicContact CB-CB 3.88Å; N319-L322 HydrophobicContact CB-CB 4.25Å; N319-L322 HydrophobicContact CB-CD1 4.03Å; N319-L322 HydrophobicContact CB-CG 4.35Å; N319-L322 PolarHBondContact O-N 3.4Å; I320-L322 PolarHBondContact O-N 3.48Å; I320-L322 VanDerWaalsContact O-N 3.17Å; L322-N324 VanDerWaalsContact C-N 3.29Å; L322-N324 PolarHBondContact O-N 3.32Å; L322-V325 HydrophobicContact CD2-CB 4.4Å; L322-V325 HydrophobicContact CD2-CG2 3.85Å; L322-V325 WeakPolarHBondContact O-CB 3.43Å; L322-V325 PolarHBondContact O-N 3.06Å; L322-V325 VanDerWaalsContact O-N 3.17Å; L322-L326 PolarHBondContact O-N 2.97Å; L322-L379 HydrophobicContact CD2-CD2 4.38Å; L322-W382 HydrophobicContact CD1-CD2 4.33Å; L322-W382 HydrophobicContact CD1-CE3 4.21Å; L322-W382 HydrophobicContact CD1-CH2 3.75Å; L322-W382 HydrophobicContact CD1-CZ2 3.87Å; L322-W382 HydrophobicContact CD1-CZ3 3.9Å; L322-W382 HydrophobicContact CD2-CB 4.41Å; L322-W382 HydrophobicContact CD2-CD2 3.65Å; L322-W382 HydrophobicContact CD2-CE3 3.77Å; L322-W382 HydrophobicContact CD2-CG 3.92Å; L322-W382 HydrophobicContact CD2-CZ3 4.3Å; L322-W382 HydrophobicContact CG-CD2 3.99Å; L322-W382 HydrophobicContact CG-CE3 4.27Å; L322-W382 HydrophobicContact CG-CG 4.46Å; L322-W382 HydrophobicContact CG-CH2 4.4Å; L322-W382 HydrophobicContact CG-CZ2 4.12Å; L322-W382 HydrophobicContact CG-CZ3 4.45Å
323Y76.2Confident79.1Confident98 Ų9847.7 Ų47.738%0.38424%0.243SC..Hα-helixtrans-60.2-35.1176.7-74.5-15.9000113I320 V325 L326 F327I320-Y323 HydrophobicContact CB-CE2 4.24Å; I320-Y323 HydrophobicContact CG1-CE2 4.18Å; I320-Y323 HydrophobicContact CG2-CD2 4.07Å; I320-Y323 HydrophobicContact CG2-CE2 3.95Å; I320-Y323 VanDerWaalsContact O-CB 3.31Å; I320-Y323 WeakPolarHBondContact O-CB 3.32Å; I320-Y323 WeakPolarHBondContact O-CD2 3.19Å; I320-Y323 VanDerWaalsContact O-CG 3.23Å; I320-Y323 PolarHBondContact O-N 3.13Å; Y323-V325 VanDerWaalsContact C-N 3.34Å; Y323-V325 PolarHBondContact O-N 3.46Å; Y323-L326 HydrophobicContact CD1-CD2 4.24Å; Y323-L326 CarbonylContact O-C 3.57Å; Y323-L326 WeakPolarHBondContact O-CB 3.41Å; Y323-L326 PolarHBondContact O-N 3.16Å; Y323-L326 VanDerWaalsContact O-N 3.13Å; Y323-F327 WeakPolarHBondContact O-CD2 3.44Å; Y323-F327 PolarHBondContact O-N 3.21Å
324N71.2Confident78Confident57 Ų5748.7 Ų48.731%0.30525%0.248SC..Hα-helixtrans-60.2-43.8175.1-72.6-0.8000111.8L322 L326 F327 L328 E378L322-N324 VanDerWaalsContact C-N 3.29Å; L322-N324 PolarHBondContact O-N 3.32Å; N324-L326 VanDerWaalsContact C-N 3.35Å; N324-L326 PolarHBondContact O-N 3.27Å; N324-F327 PolarHBondContact O-N 2.98Å; N324-L328 WeakPolarHBondContact O-CG 3.39Å; N324-L328 PolarHBondContact O-N 2.86Å; N324-L328 VanDerWaalsContact O-N 3.12Å; N324-E378 HydrophobicContact CB-CG 4.05Å; N324-E378 WeakPolarHBondContact CB-OE2 3.45Å; N324-E378 PolarHBondContact ND2-OE2 3.13Å
325V77.2Confident76.3Confident2 Ų246.3 Ų46.31%0.01224%0.243CC..Hα-helixtrans-60.3-45.2173.2-178.60000110.4L322 Y323 F327 L328 M329 M375 E378 L379L322-V325 HydrophobicContact CD2-CB 4.4Å; L322-V325 HydrophobicContact CD2-CG2 3.85Å; L322-V325 WeakPolarHBondContact O-CB 3.43Å; L322-V325 PolarHBondContact O-N 3.06Å; L322-V325 VanDerWaalsContact O-N 3.17Å; Y323-V325 VanDerWaalsContact C-N 3.34Å; Y323-V325 PolarHBondContact O-N 3.46Å; V325-F327 VanDerWaalsContact C-N 3.28Å; V325-F327 PolarHBondContact O-N 3.46Å; V325-L328 PolarHBondContact O-N 3.11Å; V325-M329 WeakPolarHBondContact O-CG 3.31Å; V325-M329 PolarHBondContact O-N 2.92Å; V325-M375 HydrophobicContact CG1-CG 4.16Å; V325-M375 HydrophobicContact CG1-SD 4.47Å; V325-E378 HydrophobicContact CG2-CB 3.78Å; V325-L379 HydrophobicContact CB-CD2 4.49Å; V325-L379 HydrophobicContact CG1-CD2 3.99Å; V325-L379 HydrophobicContact CG1-CG 4.35Å; V325-L379 HydrophobicContact CG2-CD2 3.71Å; V325-L379 HydrophobicContact CG2-CG 3.98Å
326L79.2Confident74.3Confident20 Ų2051.7 Ų51.711%0.10527%0.273CS..Hα-helixtrans-62.6-30.3177.6-171.966.9000113.5A313 C316 Q317 L322 Y323 N324 N334A313-L326 HydrophobicContact CB-CD1 4.17Å; C316-L326 HydrophobicContact CB-CB 3.93Å; C316-L326 HydrophobicContact CB-CD1 4.17Å; Q317-L326 HydrophobicContact CB-CD2 4.45Å; Q317-L326 HydrophobicContact CG-CD1 4.02Å; Q317-L326 HydrophobicContact CG-CD2 3.58Å; Q317-L326 HydrophobicContact CG-CG 4.47Å; L322-L326 PolarHBondContact O-N 2.97Å; Y323-L326 HydrophobicContact CD1-CD2 4.24Å; Y323-L326 CarbonylContact O-C 3.57Å; Y323-L326 WeakPolarHBondContact O-CB 3.41Å; Y323-L326 PolarHBondContact O-N 3.16Å; Y323-L326 VanDerWaalsContact O-N 3.13Å; N324-L326 VanDerWaalsContact C-N 3.35Å; N324-L326 PolarHBondContact O-N 3.27Å; L326-N334 WeakPolarHBondContact CD1-OD1 3.3Å
327F67.9Low72Confident107 Ų10758.8 Ų58.847%0.46931%0.309SS..Hα-helixtrans-75.7-26.4172.9-75.4-63.4000113.1K11 Y323 N324 V325K11-F327 WeakPolarHBondContact CE-O 3.09Å; Y323-F327 WeakPolarHBondContact O-CD2 3.44Å; Y323-F327 PolarHBondContact O-N 3.21Å; N324-F327 PolarHBondContact O-N 2.98Å; V325-F327 VanDerWaalsContact C-N 3.28Å; V325-F327 PolarHBondContact O-N 3.46Å
328L73.8Confident69.7Low41 Ų4158.8 Ų58.822%0.21531%0.31CS..Hα-helixtrans-85.6-14.8175.5-65.8170.9000113.4F10 N324 V325 A374 M375 E378F10-L328 HydrophobicContact CD1-CD2 4.3Å; N324-L328 WeakPolarHBondContact O-CG 3.39Å; N324-L328 PolarHBondContact O-N 2.86Å; N324-L328 VanDerWaalsContact O-N 3.12Å; V325-L328 PolarHBondContact O-N 3.11Å; L328-A374 HydrophobicContact CD1-CB 4.45Å; L328-M375 HydrophobicContact CB-CB 4.04Å; L328-M375 HydrophobicContact CB-CG 4.05Å; L328-M375 HydrophobicContact CB-SD 4.46Å; L328-M375 HydrophobicContact CD1-CB 3.92Å; L328-M375 HydrophobicContact CD1-CG 4.39Å; L328-E378 HydrophobicContact CD1-CG 3.82Å
329M76.1Confident67.1Low3 Ų363.1 Ų63.12%0.01532%0.317CS..SBendtrans-78.9146.1171.5-67.6-175.580.400112.4K11 A309 I312 A313 V325 C333 F356 M375K11-M329 WeakPolarHBondContact CE-O 3.48Å; A309-M329 HydrophobicContact CB-CE 4.13Å; A309-M329 WeakPolarHBondContact O-CE 3.42Å; I312-M329 HydrophobicContact CB-CE 4.12Å; I312-M329 HydrophobicContact CG2-CE 4.05Å; I312-M329 HydrophobicContact CG2-SD 3.87Å; A313-M329 HydrophobicContact CB-CE 4.4Å; A313-M329 HydrophobicContact CB-SD 4.48Å; V325-M329 WeakPolarHBondContact O-CG 3.31Å; V325-M329 PolarHBondContact O-N 2.92Å; M329-C333 HydrophobicContact CE-CB 4.36Å; M329-F356 HydrophobicContact CE-CE1 3.88Å; M329-F356 HydrophobicContact CE-CZ 3.97Å; M329-F356 HydrophobicContact CG-CZ 4.14Å; M329-M375 HydrophobicContact CG-SD 4.08Å
330P73.2Confident64.7Low15 Ų1566.3 Ų66.310%0.09733%0.333CS..  trans-60.3135.7173.9-21.631.9000112.3S332 C333 F356P330-S332 PolarHBondContact O-N 2.83Å; P330-C333 VanDerWaalsContact O-CB 3.23Å; P330-C333 WeakPolarHBondContact O-CB 3.19Å; P330-C333 PolarHBondContact O-N 3.03Å; P330-C333 PolarHBondContact O-SG 3Å; P330-C333 VanDerWaalsContact O-SG 3.41Å; P330-F356 HydrophobicContact CG-CB 3.83Å; P330-F356 HydrophobicContact CG-CD1 4.43Å; P330-F356 HydrophobicContact CG-CD2 4.2Å; P330-F356 HydrophobicContact CG-CG 3.93Å
331D65.8Low62.4Low35 Ų3567.5 Ų67.519%0.18734%0.341CS..G310 helixtrans-58.9-27-177.4-66.7-73.2000114.1K11 C333 N334K11-D331 VanDerWaalsContact CB-OD2 3.31Å; K11-D331 WeakPolarHBondContact CB-OD2 3.33Å; K11-D331 WeakPolarHBondContact CD-OD2 3.4Å; K11-D331 VanDerWaalsContact CE-OD1 3.32Å; K11-D331 WeakPolarHBondContact CE-OD1 3.32Å; K11-D331 WeakPolarHBondContact CE-OD2 3.24Å; K11-D331 IonicContact NZ-OD1 2.69Å; K11-D331 PolarHBondContact NZ-OD1 2.86Å; K11-D331 IonicContact NZ-OD2 2.65Å; D331-C333 PolarHBondContact O-N 2.96Å; D331-C333 VanDerWaalsContact O-N 3.12Å; D331-N334 WeakPolarHBondContact O-CB 3.28Å; D331-N334 PolarHBondContact O-N 2.93Å
332S70.2Confident60.1Low37 Ų3767.3 Ų67.326%0.25934%0.339SS..G310 helixtrans-61.4-14.9173.5-56.40000113.8H306 P330 N349H306-S332 PolarHBondContact NE2-O 2.9Å; P330-S332 PolarHBondContact O-N 2.83Å; S332-N349 PolarHBondContact OG-ND2 2.81Å; S332-N349 VanDerWaalsContact OG-ND2 3.11Å
333C75.5Confident57.9Low0 Ų071.8 Ų71.80%037%0.371CS..G310 helixtrans-75-29.6170.5-60.90000112.1A309 R310 A313 M329 P330 D331 G335A309-C333 HydrophobicContact CB-CB 4.43Å; R310-C333 WeakPolarHBondContact CG-O 2.92Å; A313-C333 HydrophobicContact CB-CB 4.02Å; M329-C333 HydrophobicContact CE-CB 4.36Å; P330-C333 VanDerWaalsContact O-CB 3.23Å; P330-C333 WeakPolarHBondContact O-CB 3.19Å; P330-C333 PolarHBondContact O-N 3.03Å; P330-C333 PolarHBondContact O-SG 3Å; P330-C333 VanDerWaalsContact O-SG 3.41Å; D331-C333 PolarHBondContact O-N 2.96Å; D331-C333 VanDerWaalsContact O-N 3.12Å; C333-G335 PolarHBondContact O-N 3.08Å; C333-G335 VanDerWaalsContact O-N 3.11Å
334N67.2Low56Low21 Ų2169.7 Ų69.711%0.11238%0.38CS..SBendtrans-79.13.4-166-66.30.4000114.1A313 Q317 L326 D331 N336A313-N334 WeakPolarHBondContact CB-OD1 3.26Å; Q317-N334 PolarHBondContact NE2-O 2.66Å; L326-N334 WeakPolarHBondContact CD1-OD1 3.3Å; D331-N334 WeakPolarHBondContact O-CB 3.28Å; D331-N334 PolarHBondContact O-N 2.93Å; N334-N336 PolarHBondContact O-N 3.14Å
335G54.1Low54.5Low32 Ų3268.3 Ų68.333%0.3337%0.374SS..  trans72.7-13178.800000115.4C333 I337C333-G335 PolarHBondContact O-N 3.08Å; C333-G335 VanDerWaalsContact O-N 3.11Å; G335-I337 PolarHBondContact O-N 3.12Å
336N47.7Very low52.9Low131 Ų13170.9 Ų70.970%0.70139%0.39SS*.  trans-63.5103.9172.7-81-24.1000110.6N334 I338N334-N336 PolarHBondContact O-N 3.14Å; N336-I338 VanDerWaalsContact C-N 3.32Å; N336-I338 PolarHBondContact O-N 3.27Å
337I39.6Very low51.4Low149 Ų14973.8 Ų73.876%0.76441%0.409SS*.  trans-68.394.2167.2-56.9173.9000107.4G335 R339G335-I337 PolarHBondContact O-N 3.12Å; I337-R339 PolarHBondContact O-N 2.97Å
338I38.2Very low50.5Low62 Ų6270.4 Ų70.432%0.31840%0.395SS..  trans-49.3123.4157.1-58.3175.9000105.7L15 N336 L340L15-I338 HydrophobicContact CB-CD1 3.98Å; L15-I338 HydrophobicContact CD1-CD1 3.88Å; N336-I338 VanDerWaalsContact C-N 3.32Å; N336-I338 PolarHBondContact O-N 3.27Å; I338-L340 WeakPolarHBondContact O-CG 3.18Å; I338-L340 PolarHBondContact O-N 3.3Å
339R31.7Very low49.5Very low226 Ų22669 Ų6985%0.85339%0.388SS*.  trans-66.399.3-175.3-72.1-172.8176.5-168.60.1109.4I337 N341I337-R339 PolarHBondContact O-N 2.97Å; R339-N341 PolarHBondContact O-N 2.89Å
340L33.3Very low48.7Very low112 Ų11272.9 Ų72.959%0.58641%0.412SS*.  trans-72.465-171.2-66.9-178.9000113.4I338 T346I338-L340 WeakPolarHBondContact O-CG 3.18Å; I338-L340 PolarHBondContact O-N 3.3Å; L340-T346 HydrophobicContact CD1-CG2 4.41Å; L340-T346 HydrophobicContact CD2-CG2 3.91Å
341N30.2Very low48Very low150 Ų15074.2 Ų74.280%0.80242%0.418SS*.  trans-94.9-17171.2-74.78.3000112.9R339R339-N341 PolarHBondContact O-N 2.89Å
342D31.6Very low47.9Very low114 Ų11474.7 Ų74.761%0.6142%0.42SS*.  trans-108116.3-177.2-73.2-60.5000112.9G344D342-G344 PolarHBondContact O-N 3.31Å
343S35.3Very low48.1Very low95 Ų9574 Ų7466%0.66441%0.414SS*.THydrogen-bonded Turntrans-75.27.3-165.7630000116.6
344G36.7Very low47.9Very low55 Ų5576.8 Ų76.857%0.56743%0.428SS*.THydrogen-bonded Turntrans-105.5-23.9-179.200000115D342 T346D342-G344 PolarHBondContact O-N 3.31Å; G344-T346 PolarHBondContact O-N 3.41Å
345S39.9Very low48.1Very low28 Ų2875.8 Ų75.820%0.19642%0.423CS..THydrogen-bonded Turntrans-73.6-26.1-174.6157.30000113.6L15 T347L15-S345 VanDerWaalsContact CD1-OG 3.26Å; L15-S345 WeakPolarHBondContact CD1-OG 3.27Å; L15-S345 WeakPolarHBondContact CD2-OG 2.98Å; S345-T347 PolarHBondContact O-N 3.26Å
346T42.7Very low49.4Very low55 Ų5574.7 Ų74.734%0.33741%0.409SS..Hα-helixtrans-66.1-30.8-16948.20000114.5L340 G344 T350L340-T346 HydrophobicContact CD1-CG2 4.41Å; L340-T346 HydrophobicContact CD2-CG2 3.91Å; G344-T346 PolarHBondContact O-N 3.41Å; T346-T350 VanDerWaalsContact O-CB 3.24Å; T346-T350 WeakPolarHBondContact O-CB 3.4Å; T346-T350 PolarHBondContact O-N 3.1Å; T346-T350 PolarHBondContact O-OG1 3.36Å
347T49.6Very low51.2Low81 Ų8168.5 Ų68.550%0.49738%0.376SS..Hα-helixtrans-69.1-60.9-173.949.10000111.9S345 N349 T350 L351S345-T347 PolarHBondContact O-N 3.26Å; T347-N349 VanDerWaalsContact C-N 3.34Å; T347-N349 PolarHBondContact O-N 3.13Å; T347-T350 PolarHBondContact O-N 2.69Å; T347-T350 VanDerWaalsContact O-N 3.17Å; T347-L351 WeakPolarHBondContact O-CB 3.38Å; T347-L351 WeakPolarHBondContact O-CD1 3.44Å; T347-L351 WeakPolarHBondContact O-CG 3.26Å; T347-L351 PolarHBondContact O-N 3.22Å
348L48Very low53Low36 Ų3663.2 Ų63.219%0.18835%0.353CS..Hα-helixtrans-64.3-38.5-174.8-166.875000112.1W12 W38 T350 L351 N352W12-L348 HydrophobicContact CB-CD2 4.26Å; W12-L348 VanDerWaalsContact CD1-CD2 3.45Å; W12-L348 HydrophobicContact CG-CD2 4.24Å; W38-L348 HydrophobicContact CH2-CB 4.48Å; W38-L348 HydrophobicContact CH2-CD1 3.35Å; W38-L348 HydrophobicContact CZ2-CD1 4.12Å; W38-L348 HydrophobicContact CZ3-CD1 3.67Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 2.91Å; L348-L351 PolarHBondContact O-N 2.73Å; L348-L351 VanDerWaalsContact O-N 3.12Å; L348-N352 PolarHBondContact O-N 3.36Å
349N53.6Low54.7Low13 Ų1361.5 Ų61.57%0.0734%0.344CS..Hα-helixtrans-65.7-36178.1-128.924000112.1L15 S332 T347 L353L15-N349 HydrophobicContact CD1-CB 3.72Å; L15-N349 WeakPolarHBondContact CD1-ND2 3.42Å; S332-N349 PolarHBondContact OG-ND2 2.81Å; S332-N349 VanDerWaalsContact OG-ND2 3.11Å; T347-N349 VanDerWaalsContact C-N 3.34Å; T347-N349 PolarHBondContact O-N 3.13Å; N349-L353 VanDerWaalsContact O-CB 3.31Å; N349-L353 WeakPolarHBondContact O-CB 3.33Å; N349-L353 PolarHBondContact O-N 3.27Å; N349-L353 VanDerWaalsContact O-N 3.13Å
350T57.6Low56.7Low83 Ų8350.8 Ų50.851%0.50930%0.303SS..Hα-helixtrans-67.7-38.3172.3-56.80000111.1T346 T347 L348 L353 L354T346-T350 VanDerWaalsContact O-CB 3.24Å; T346-T350 WeakPolarHBondContact O-CB 3.4Å; T346-T350 PolarHBondContact O-N 3.1Å; T346-T350 PolarHBondContact O-OG1 3.36Å; T347-T350 PolarHBondContact O-N 2.69Å; T347-T350 VanDerWaalsContact O-N 3.17Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 2.91Å; T350-L353 PolarHBondContact O-N 3.01Å; T350-L354 WeakPolarHBondContact O-CB 3.47Å; T350-L354 PolarHBondContact O-N 3.1Å
351L59.8Low58.6Low44 Ų4446.4 Ų46.423%0.2328%0.28CS..Hα-helixtrans-75.9-31.5-177.9-71.2161.4000113.5E35 W38 T347 L348 L354 G355 R368E35-L351 WeakPolarHBondContact OE2-CD2 3.32Å; W38-L351 HydrophobicContact CH2-CD1 3.56Å; W38-L351 HydrophobicContact CZ2-CD1 3.75Å; T347-L351 WeakPolarHBondContact O-CB 3.38Å; T347-L351 WeakPolarHBondContact O-CD1 3.44Å; T347-L351 WeakPolarHBondContact O-CG 3.26Å; T347-L351 PolarHBondContact O-N 3.22Å; L348-L351 PolarHBondContact O-N 2.73Å; L348-L351 VanDerWaalsContact O-N 3.12Å; L351-L354 HydrophobicContact CD2-CD2 4.31Å; L351-G355 PolarHBondContact O-N 3.29Å; L351-R368 PolarHBondContact O-NH2 3.39Å
352N64Low60.4Low44 Ų4440.8 Ų40.824%0.23525%0.254CS..Hα-helixtrans-69.5-44.1169.3-77.9-16.8000111.1L348 G355 F356L348-N352 PolarHBondContact O-N 3.36Å; N352-G355 PolarHBondContact O-N 3Å; N352-F356 WeakPolarHBondContact O-CB 3.18Å; N352-F356 PolarHBondContact O-N 3.45Å
353L73.8Confident62.1Low24 Ų2442.3 Ų42.313%0.12625%0.251CS..Hα-helixtrans-62.4-45.7173.7-178.569.3000111.9N349 T350 F356 C357N349-L353 VanDerWaalsContact O-CB 3.31Å; N349-L353 WeakPolarHBondContact O-CB 3.33Å; N349-L353 PolarHBondContact O-N 3.27Å; N349-L353 VanDerWaalsContact O-N 3.13Å; T350-L353 PolarHBondContact O-N 3.01Å; L353-F356 PolarHBondContact O-N 3.02Å; L353-C357 WeakPolarHBondContact O-CB 3.39Å; L353-C357 PolarHBondContact O-N 3.32Å; L353-C357 PolarHBondContact O-SG 2.87Å
354L71Confident63.4Low57 Ų5737.8 Ų37.830%0.29822%0.22SC..Hα-helixtrans-61.5-45.6178.1-174.569.3000110.6P302 T350 L351 F356 C357 S358P302-L354 HydrophobicContact CB-CD1 4.29Å; P302-L354 HydrophobicContact CG-CD1 4.22Å; T350-L354 WeakPolarHBondContact O-CB 3.47Å; T350-L354 PolarHBondContact O-N 3.1Å; L351-L354 HydrophobicContact CD2-CD2 4.31Å; L354-F356 PolarHBondContact O-N 2.9Å; L354-C357 PolarHBondContact O-N 3.04Å; L354-S358 VanDerWaalsContact CD1-OG 3.23Å; L354-S358 WeakPolarHBondContact CD1-OG 3.45Å; L354-S358 WeakPolarHBondContact CG-OG 3.45Å; L354-S358 WeakPolarHBondContact O-CA 3.27Å; L354-S358 WeakPolarHBondContact O-CB 3.45Å; L354-S358 PolarHBondContact O-N 3.36Å; L354-S358 PolarHBondContact O-OG 3.42Å
355G71.7Confident64.3Low1 Ų137 Ų371%0.0121%0.205CC..Hα-helixtrans-52.8-51.5171.300000112.7L351 N352 C357 Q359 R368L351-G355 PolarHBondContact O-N 3.29Å; N352-G355 PolarHBondContact O-N 3Å; G355-C357 VanDerWaalsContact C-N 3.31Å; G355-C357 PolarHBondContact O-N 3.41Å; G355-Q359 PolarHBondContact O-N 3.25Å; G355-R368 VanDerWaalsContact CA-NH1 3.31Å
356F81.6Confident65Low8 Ų838.5 Ų38.54%0.03521%0.213CC..Hα-helixtrans-65.7-29.8-179.4-165.7-96.6000113.9M269 A270 A309 M329 P330 N352 L353 L354 M375M269-F356 HydrophobicContact CB-CD2 4.16Å; M269-F356 HydrophobicContact CB-CE2 4.22Å; M269-F356 HydrophobicContact CG-CD2 4.4Å; M269-F356 HydrophobicContact CG-CE2 4.04Å; M269-F356 PolarHBondContact N-O 2.99Å; A270-F356 HydrophobicContact CB-CD1 3.73Å; A270-F356 HydrophobicContact CB-CE1 3.7Å; A270-F356 WeakPolarHBondContact CB-O 3.26Å; A270-F356 PolarHBondContact N-O 3.49Å; A309-F356 HydrophobicContact CB-CD1 4.15Å; A309-F356 HydrophobicContact CB-CE1 3.87Å; M329-F356 HydrophobicContact CE-CE1 3.88Å; M329-F356 HydrophobicContact CE-CZ 3.97Å; M329-F356 HydrophobicContact CG-CZ 4.14Å; P330-F356 HydrophobicContact CG-CB 3.83Å; P330-F356 HydrophobicContact CG-CD1 4.43Å; P330-F356 HydrophobicContact CG-CD2 4.2Å; P330-F356 HydrophobicContact CG-CG 3.93Å; N352-F356 WeakPolarHBondContact O-CB 3.18Å; N352-F356 PolarHBondContact O-N 3.45Å; L353-F356 PolarHBondContact O-N 3.02Å; L354-F356 PolarHBondContact O-N 2.9Å; F356-M375 HydrophobicContact CE2-CE 3.61Å; F356-M375 HydrophobicContact CE2-SD 3.83Å; F356-M375 HydrophobicContact CZ-CE 3.94Å; F356-M375 HydrophobicContact CZ-SD 4.06Å
357C85.5Confident65.6Low1 Ų140 Ų401%0.00722%0.216CC..Hα-helixtrans-108-17.1-170.3-63.80000115.2A268 S305 L353 L354 G355A268-C357 VanDerWaalsContact CB-C 3.44Å; A268-C357 WeakPolarHBondContact CB-O 3.5Å; S305-C357 WeakPolarHBondContact CB-O 3.23Å; S305-C357 PolarHBondContact OG-O 3.44Å; L353-C357 WeakPolarHBondContact O-CB 3.39Å; L353-C357 PolarHBondContact O-N 3.32Å; L353-C357 PolarHBondContact O-SG 2.87Å; L354-C357 PolarHBondContact O-N 3.04Å; G355-C357 VanDerWaalsContact C-N 3.31Å; G355-C357 PolarHBondContact O-N 3.41Å
358S77.3Confident66.3Low38 Ų3837.3 Ų37.327%0.26620%0.197SC..Hα-helixtrans-135.4-17.2-174.484.90000116L354L354-S358 VanDerWaalsContact CD1-OG 3.23Å; L354-S358 WeakPolarHBondContact CD1-OG 3.45Å; L354-S358 WeakPolarHBondContact CG-OG 3.45Å; L354-S358 WeakPolarHBondContact O-CA 3.27Å; L354-S358 WeakPolarHBondContact O-CB 3.45Å; L354-S358 PolarHBondContact O-N 3.36Å; L354-S358 PolarHBondContact O-OG 3.42Å
359Q73.8Confident67.3Low27 Ų2738.2 Ų38.213%0.12620%0.197CC..SBendtrans-87.4112.9170.6-64.7-178.7-7.600108.1E35 A268 G355E35-Q359 PolarHBondContact OE1-NE2 3.24Å; A268-Q359 WeakPolarHBondContact CA-O 3.45Å; G355-Q359 PolarHBondContact O-N 3.25Å
360G73.9Confident68.2Low0 Ų037.9 Ų37.90%020%0.196CC..BIsolated β-bridgetrans-58.3146.4168.800000110.6R265 L267 A362 R363 S364R265-G360 CarbonylContact O-C 3.57Å; R265-G360 WeakPolarHBondContact O-CA 3.23Å; L267-G360 WeakPolarHBondContact O-CA 3.19Å; G360-A362 PolarHBondContact O-N 3.02Å; G360-R363 WeakPolarHBondContact O-CA 3.33Å; G360-R363 PolarHBondContact O-N 2.69Å; G360-S364 PolarHBondContact O-N 3.01Å
361L72.8Confident68.9Low21 Ų2136.9 Ų36.911%0.1119%0.185CC..G310 helixtrans-50.7-41.1-168-177.763.4000113.3L203 V207 L267 M269 L272 R363 S364 H372L203-L361 HydrophobicContact CB-CD2 4.34Å; L203-L361 HydrophobicContact CD2-CD1 4.11Å; L203-L361 HydrophobicContact CD2-CD2 4.1Å; V207-L361 HydrophobicContact CG2-CD2 3.93Å; L267-L361 PolarHBondContact O-N 3.48Å; M269-L361 HydrophobicContact SD-CD1 4.25Å; L272-L361 HydrophobicContact CD1-CB 4.18Å; L272-L361 HydrophobicContact CD1-CD2 4.1Å; L361-R363 PolarHBondContact O-N 3.25Å; L361-S364 WeakPolarHBondContact O-CB 3.22Å; L361-S364 PolarHBondContact O-N 3.13Å; L361-S364 VanDerWaalsContact O-N 3.13Å; L361-S364 PolarHBondContact O-OG 2.95Å; L361-H372 HydrophobicContact CD1-CB 4.16Å
362A67.6Low70Confident31 Ų3135.3 Ų35.326%0.25618%0.177SC..G310 helixtrans-65.9-16.6178.600000114.9R265 G360 R369R265-A362 HydrophobicContact CB-CB 4.18Å; R265-A362 HydrophobicContact CG-CB 4.09Å; G360-A362 PolarHBondContact O-N 3.02Å; A362-R369 PolarHBondContact O-NH2 2.91Å
363R67.9Low71Confident146 Ų14633.2 Ų33.255%0.55117%0.165SC*.G310 helixtrans-99.7-6174.6-60.7-172.9-170.7145.510.3113.8E299 G360 L361E299-R363 IonicContact OE1-CZ 3.52Å; E299-R363 IonicContact OE1-NH1 2.69Å; E299-R363 PolarHBondContact OE1-NH1 2.81Å; E299-R363 VanDerWaalsContact OE1-NH1 3.17Å; E299-R363 IonicContact OE1-NH2 3.34Å; E299-R363 PolarHBondContact OE1-NH2 2.61Å; E299-R363 IonicContact OE2-CZ 2.66Å; E299-R363 IonicContact OE2-NH1 3.77Å; E299-R363 PolarHBondContact OE2-NH1 3.27Å; E299-R363 IonicContact OE2-NH2 3.7Å; G360-R363 WeakPolarHBondContact O-CA 3.33Å; G360-R363 PolarHBondContact O-N 2.69Å; L361-R363 PolarHBondContact O-N 3.25Å
364S63.2Low71.2Confident0 Ų032.2 Ų32.20%016%0.161CC..SBendtrans-68.1142.4176.465.60000111G360 L361 R369G360-S364 PolarHBondContact O-N 3.01Å; L361-S364 WeakPolarHBondContact O-CB 3.22Å; L361-S364 PolarHBondContact O-N 3.13Å; L361-S364 VanDerWaalsContact O-N 3.13Å; L361-S364 PolarHBondContact O-OG 2.95Å; S364-R369 VanDerWaalsContact O-CZ 3.32Å; S364-R369 PolarHBondContact O-NE 2.7Å; S364-R369 PolarHBondContact O-NH2 3.19Å; S364-R369 WeakPolarHBondContact OG-CG 3.49Å
365P54.7Low71.7Confident39 Ų3929.6 Ų29.625%0.25315%0.147SC..  trans-67.9158176.427.9-34.8000111.5H367 R368 R369P365-H367 PolarHBondContact O-N 3.01Å; P365-R368 HydrophobicContact CG-CB 3.84Å; P365-R368 WeakPolarHBondContact O-CA 3.37Å; P365-R368 WeakPolarHBondContact O-CB 3.3Å; P365-R368 PolarHBondContact O-N 2.8Å; P365-R369 PolarHBondContact O-N 3.29Å
366T55.3Low72.6Confident60 Ų6029.6 Ų29.637%0.36815%0.147SC..Hα-helixtrans-52.8-48-172.236.80000114.2R368 R369 L370 L509T366-R368 VanDerWaalsContact C-N 3.28Å; T366-R368 PolarHBondContact O-N 2.89Å; T366-R369 WeakPolarHBondContact O-CB 3.32Å; T366-R369 PolarHBondContact O-N 2.9Å; T366-R369 VanDerWaalsContact O-N 3.16Å; T366-L370 PolarHBondContact O-N 3.35Å; T366-L509 HydrophobicContact CG2-CD1 3.94Å; T366-L509 HydrophobicContact CG2-CD2 4.01Å; T366-L509 HydrophobicContact CG2-CG 3.96Å
367H55.7Low72.8Confident85 Ų8529.2 Ų29.239%0.39415%0.145SC..Hα-helixtrans-59.5-37.817762.2-101.6000112.5P365 L370 Q371P365-H367 PolarHBondContact O-N 3.01Å; H367-L370 PolarHBondContact O-N 3.03Å; H367-Q371 PolarHBondContact O-N 2.82Å
368R63.9Low72.7Confident26 Ų2630.1 Ų30.110%0.09815%0.149CC..Hα-helixtrans-73.9-29.2179.8-172.7178.1-75.5163-10.8111.4L351 G355 P365 T366 L370 Q371 H372L351-R368 PolarHBondContact O-NH2 3.39Å; G355-R368 VanDerWaalsContact CA-NH1 3.31Å; P365-R368 HydrophobicContact CG-CB 3.84Å; P365-R368 WeakPolarHBondContact O-CA 3.37Å; P365-R368 WeakPolarHBondContact O-CB 3.3Å; P365-R368 PolarHBondContact O-N 2.8Å; T366-R368 VanDerWaalsContact C-N 3.28Å; T366-R368 PolarHBondContact O-N 2.89Å; R368-L370 VanDerWaalsContact C-N 3.34Å; R368-L370 PolarHBondContact O-N 3.09Å; R368-Q371 PolarHBondContact O-N 2.67Å; R368-H372 WeakPolarHBondContact O-CB 3.18Å; R368-H372 PolarHBondContact O-CD2 3.07Å; R368-H372 VanDerWaalsContact O-CG 3.26Å; R368-H372 PolarHBondContact O-N 3Å
369R69.3Low73.3Confident54 Ų5428.3 Ų28.320%0.20414%0.137CC..Hα-helixtrans-61.6-39.5171.9-66.6178.2-162.8-144.3-2.8112.2A362 S364 P365 T366 H372 A373A362-R369 PolarHBondContact O-NH2 2.91Å; S364-R369 VanDerWaalsContact O-CZ 3.32Å; S364-R369 PolarHBondContact O-NE 2.7Å; S364-R369 PolarHBondContact O-NH2 3.19Å; S364-R369 WeakPolarHBondContact OG-CG 3.49Å; P365-R369 PolarHBondContact O-N 3.29Å; T366-R369 WeakPolarHBondContact O-CB 3.32Å; T366-R369 PolarHBondContact O-N 2.9Å; T366-R369 VanDerWaalsContact O-N 3.16Å; R369-H372 PolarHBondContact O-N 3.24Å; R369-A373 WeakPolarHBondContact O-CB 3.45Å; R369-A373 PolarHBondContact O-N 3.49Å
370L72.2Confident74.1Confident7 Ų727.2 Ų27.24%0.03713%0.131CC..Hα-helixtrans-69.7-36.9178-171.162.3000111.9E160 L163 R164 L167 A199 T366 H367 R368 A373 A374E160-L370 HydrophobicContact CB-CD2 3.88Å; E160-L370 HydrophobicContact CG-CD2 3.68Å; L163-L370 HydrophobicContact CB-CD2 4.11Å; L163-L370 HydrophobicContact CB-CG 4.34Å; L163-L370 HydrophobicContact CD1-CD2 4.06Å; L163-L370 HydrophobicContact CD1-CG 4.17Å; R164-L370 HydrophobicContact CG-CD1 3.97Å; R164-L370 HydrophobicContact CG-CD2 4.37Å; L167-L370 HydrophobicContact CD1-CD1 4.19Å; A199-L370 HydrophobicContact CB-CD1 4.07Å; T366-L370 PolarHBondContact O-N 3.35Å; H367-L370 PolarHBondContact O-N 3.03Å; R368-L370 VanDerWaalsContact C-N 3.34Å; R368-L370 PolarHBondContact O-N 3.09Å; L370-A373 PolarHBondContact O-N 2.95Å; L370-A374 WeakPolarHBondContact O-CB 3.23Å; L370-A374 PolarHBondContact O-N 3.27Å
371Q71.6Confident74.6Confident61 Ų6130.3 Ų30.329%0.28515%0.15SC..Hα-helixtrans-63.7-41.9171.3-67174.8-25.600112.1H367 R368 A373 A374 M375H367-Q371 PolarHBondContact O-N 2.82Å; R368-Q371 PolarHBondContact O-N 2.67Å; Q371-A373 VanDerWaalsContact C-N 3.34Å; Q371-A374 PolarHBondContact O-N 2.85Å; Q371-M375 PolarHBondContact O-N 2.83Å
372H83.4Confident75.3Confident11 Ų1131.1 Ų31.15%0.05115%0.152CC..Hα-helixtrans-63.5-38.7173-70.7-20.1000112.2L203 M269 L361 R368 R369 A376L203-H372 HydrophobicContact CD2-CB 4.05Å; M269-H372 HydrophobicContact CE-CB 3.65Å; M269-H372 WeakPolarHBondContact CE-O 3.2Å; M269-H372 HydrophobicContact CG-CB 4.43Å; M269-H372 HydrophobicContact SD-CB 3.81Å; L361-H372 HydrophobicContact CD1-CB 4.16Å; R368-H372 WeakPolarHBondContact O-CB 3.18Å; R368-H372 PolarHBondContact O-CD2 3.07Å; R368-H372 VanDerWaalsContact O-CG 3.26Å; R368-H372 PolarHBondContact O-N 3Å; R369-H372 PolarHBondContact O-N 3.24Å; H372-A376 WeakPolarHBondContact O-CB 3.22Å; H372-A376 PolarHBondContact O-N 2.8Å
373A84.2Confident76.3Confident0 Ų029.9 Ų29.90%014%0.141CC..Hα-helixtrans-68.2-38.8175.700000112.4L167 A199 A202 L203 R369 L370 Q371 A376 G377L167-A373 HydrophobicContact CD1-CB 3.98Å; A199-A373 HydrophobicContact CB-CB 3.7Å; A202-A373 HydrophobicContact CB-CB 4.37Å; A202-A373 WeakPolarHBondContact CB-O 3.36Å; L203-A373 HydrophobicContact CD1-CB 4.17Å; L203-A373 HydrophobicContact CD2-CB 4.2Å; L203-A373 HydrophobicContact CG-CB 3.89Å; R369-A373 WeakPolarHBondContact O-CB 3.45Å; R369-A373 PolarHBondContact O-N 3.49Å; L370-A373 PolarHBondContact O-N 2.95Å; Q371-A373 VanDerWaalsContact C-N 3.34Å; A373-A376 PolarHBondContact O-N 2.89Å; A373-G377 PolarHBondContact O-N 2.9Å
374A78.9Confident77.1Confident4 Ų425.3 Ų25.33%0.03313%0.129CC..Hα-helixtrans-60-49.4173.300000111.1L163 L328 L370 Q371 A376 G377 E378L163-A374 HydrophobicContact CD2-CB 4.45Å; L328-A374 HydrophobicContact CD1-CB 4.45Å; L370-A374 WeakPolarHBondContact O-CB 3.23Å; L370-A374 PolarHBondContact O-N 3.27Å; Q371-A374 PolarHBondContact O-N 2.85Å; A374-A376 VanDerWaalsContact C-N 3.31Å; A374-A376 PolarHBondContact O-N 2.82Å; A374-G377 WeakPolarHBondContact O-CA 3.35Å; A374-G377 PolarHBondContact O-N 2.8Å; A374-E378 PolarHBondContact O-N 3.12Å
375M82.3Confident77.9Confident2 Ų229.4 Ų29.41%0.0116%0.158CC..Hα-helixtrans-64.2-35.3176.7-169.7-174.462.200112.4M269 V273 V325 L328 M329 F356 Q371 G377 L379M269-M375 HydrophobicContact CE-CE 3.44Å; M269-M375 VanDerWaalsContact CE-CE 3.44Å; M269-M375 HydrophobicContact CG-CE 3.52Å; M269-M375 HydrophobicContact SD-CE 4.36Å; V273-M375 HydrophobicContact CG2-CE 3.5Å; V325-M375 HydrophobicContact CG1-CG 4.16Å; V325-M375 HydrophobicContact CG1-SD 4.47Å; L328-M375 HydrophobicContact CB-CB 4.04Å; L328-M375 HydrophobicContact CB-CG 4.05Å; L328-M375 HydrophobicContact CB-SD 4.46Å; L328-M375 HydrophobicContact CD1-CB 3.92Å; L328-M375 HydrophobicContact CD1-CG 4.39Å; M329-M375 HydrophobicContact CG-SD 4.08Å; F356-M375 HydrophobicContact CE2-CE 3.61Å; F356-M375 HydrophobicContact CE2-SD 3.83Å; F356-M375 HydrophobicContact CZ-CE 3.94Å; F356-M375 HydrophobicContact CZ-SD 4.06Å; Q371-M375 PolarHBondContact O-N 2.83Å; M375-G377 VanDerWaalsContact C-N 3.28Å; M375-G377 PolarHBondContact O-N 3.47Å; M375-L379 HydrophobicContact CG-CD1 4.42Å; M375-L379 WeakPolarHBondContact O-CD1 3.46Å; M375-L379 VanDerWaalsContact O-CG 3.24Å; M375-L379 WeakPolarHBondContact O-CG 3.5Å; M375-L379 PolarHBondContact O-N 2.86Å
376A90.3Very high78.3Confident0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-66.6-30171.700000112.4A202 L203 W205 L206 M269 H372 A373 A374 F380A202-A376 HydrophobicContact CB-CB 3.84Å; L203-A376 HydrophobicContact CD2-CB 4.45Å; W205-A376 WeakPolarHBondContact CZ3-O 3.14Å; L206-A376 HydrophobicContact CB-CB 4.26Å; L206-A376 HydrophobicContact CD2-CB 4.26Å; M269-A376 HydrophobicContact CE-CB 4.44Å; H372-A376 WeakPolarHBondContact O-CB 3.22Å; H372-A376 PolarHBondContact O-N 2.8Å; A373-A376 PolarHBondContact O-N 2.89Å; A374-A376 VanDerWaalsContact C-N 3.31Å; A374-A376 PolarHBondContact O-N 2.82Å; A376-F380 VanDerWaalsContact O-CB 3.26Å; A376-F380 WeakPolarHBondContact O-CB 3.46Å; A376-F380 PolarHBondContact O-N 3.47Å
377G85Confident78.4Confident0 Ų033.4 Ų33.40%018%0.18CC..Hα-helixtrans-69.6-47.217400000113.6A373 A374 M375 L379 F380 V381A373-G377 PolarHBondContact O-N 2.9Å; A374-G377 WeakPolarHBondContact O-CA 3.35Å; A374-G377 PolarHBondContact O-N 2.8Å; M375-G377 VanDerWaalsContact C-N 3.28Å; M375-G377 PolarHBondContact O-N 3.47Å; G377-L379 VanDerWaalsContact C-N 3.28Å; G377-L379 PolarHBondContact O-N 2.88Å; G377-F380 WeakPolarHBondContact O-CB 3.41Å; G377-F380 PolarHBondContact O-N 2.88Å; G377-F380 VanDerWaalsContact O-N 3.11Å; G377-V381 WeakPolarHBondContact O-CG2 3.3Å; G377-V381 PolarHBondContact O-N 3.24Å
378E83.1Confident78.4Confident20 Ų2030.7 Ų30.79%0.09317%0.17CC..Hα-helixtrans-56.1-44.9173-60.8-61.1135.800111.1Y166 N324 V325 L328 A374 V381 W382Y166-E378 PolarHBondContact OH-OE1 2.63Å; N324-E378 HydrophobicContact CB-CG 4.05Å; N324-E378 WeakPolarHBondContact CB-OE2 3.45Å; N324-E378 PolarHBondContact ND2-OE2 3.13Å; V325-E378 HydrophobicContact CG2-CB 3.78Å; L328-E378 HydrophobicContact CD1-CG 3.82Å; A374-E378 PolarHBondContact O-N 3.12Å; E378-V381 PolarHBondContact O-N 3.3Å; E378-W382 PolarHBondContact O-N 3.06Å
379L90.1Very high77.8Confident0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-65.7-38.8176.2-67.9169.9000112.2W205 L206 V273 F277 L322 V325 M375 G377 W382 F383W205-L379 HydrophobicContact CH2-CB 3.97Å; W205-L379 HydrophobicContact CZ3-CB 4.07Å; L206-L379 HydrophobicContact CD1-CD1 4.37Å; V273-L379 HydrophobicContact CB-CD1 4.43Å; V273-L379 HydrophobicContact CG1-CD1 3.87Å; V273-L379 HydrophobicContact CG2-CD1 3.82Å; F277-L379 HydrophobicContact CD2-CD2 4.46Å; F277-L379 HydrophobicContact CE2-CD2 3.5Å; F277-L379 VanDerWaalsContact CE2-CD2 3.5Å; F277-L379 HydrophobicContact CZ-CD2 3.95Å; L322-L379 HydrophobicContact CD2-CD2 4.38Å; V325-L379 HydrophobicContact CB-CD2 4.49Å; V325-L379 HydrophobicContact CG1-CD2 3.99Å; V325-L379 HydrophobicContact CG1-CG 4.35Å; V325-L379 HydrophobicContact CG2-CD2 3.71Å; V325-L379 HydrophobicContact CG2-CG 3.98Å; M375-L379 HydrophobicContact CG-CD1 4.42Å; M375-L379 WeakPolarHBondContact O-CD1 3.46Å; M375-L379 VanDerWaalsContact O-CG 3.24Å; M375-L379 WeakPolarHBondContact O-CG 3.5Å; M375-L379 PolarHBondContact O-N 2.86Å; G377-L379 VanDerWaalsContact C-N 3.28Å; G377-L379 PolarHBondContact O-N 2.88Å; L379-W382 PolarHBondContact O-N 2.96Å; L379-F383 HydrophobicContact CB-CD2 4.19Å; L379-F383 HydrophobicContact CB-CE2 4.27Å; L379-F383 HydrophobicContact CD2-CE2 3.88Å; L379-F383 WeakPolarHBondContact O-CB 3.12Å; L379-F383 WeakPolarHBondContact O-CD2 3.1Å; L379-F383 PolarHBondContact O-N 3.05Å
380F91.1Very high77.4Confident4 Ų442.7 Ų42.72%0.01823%0.228CC..Hα-helixtrans-60.6-48.4175.8178.3-87.2000110.9I171 L176 A179 W205 A376 G377 W382 T384I171-F380 HydrophobicContact CD1-CB 4.4Å; I171-F380 HydrophobicContact CD1-CD1 4.44Å; I171-F380 HydrophobicContact CD1-CG 4.31Å; I171-F380 HydrophobicContact CG1-CD1 3.94Å; I171-F380 HydrophobicContact CG1-CE1 4.18Å; I171-F380 HydrophobicContact CG1-CG 4.28Å; I171-F380 HydrophobicContact CG2-CE2 4.49Å; I171-F380 HydrophobicContact CG2-CZ 4.38Å; L176-F380 HydrophobicContact CD1-CE2 4.38Å; A179-F380 HydrophobicContact CB-CE2 3.63Å; A179-F380 HydrophobicContact CB-CZ 4.09Å; W205-F380 HydrophobicContact CB-CD2 4.36Å; W205-F380 AromaticContact CD1-CD2 3.85Å; W205-F380 HydrophobicContact CD2-CB 4.38Å; W205-F380 AromaticContact CD2-CD2 3.69Å; W205-F380 HydrophobicContact CD2-CD2 3.69Å; W205-F380 AromaticContact CE2-CD2 3.85Å; W205-F380 HydrophobicContact CE3-CB 4.11Å; W205-F380 HydrophobicContact CE3-CD2 4.21Å; W205-F380 AromaticContact CG-CD2 3.72Å; W205-F380 HydrophobicContact CG-CD2 3.72Å; W205-F380 HydrophobicContact CG-CE2 4.19Å; W205-F380 HydrophobicContact CH2-CB 4.28Å; W205-F380 HydrophobicContact CZ3-CB 4.06Å; W205-F380 AromaticContact NE1-CD2 3.9Å; A376-F380 VanDerWaalsContact O-CB 3.26Å; A376-F380 WeakPolarHBondContact O-CB 3.46Å; A376-F380 PolarHBondContact O-N 3.47Å; G377-F380 WeakPolarHBondContact O-CB 3.41Å; G377-F380 PolarHBondContact O-N 2.88Å; G377-F380 VanDerWaalsContact O-N 3.11Å; F380-W382 PolarHBondContact O-N 3.27Å; F380-T384 HydrophobicContact CD1-CG2 4.35Å; F380-T384 HydrophobicContact CD2-CG2 4.15Å; F380-T384 HydrophobicContact CE1-CG2 4.2Å; F380-T384 HydrophobicContact CE2-CG2 4Å; F380-T384 HydrophobicContact CG-CG2 4.32Å; F380-T384 HydrophobicContact CZ-CG2 4.02Å; F380-T384 VanDerWaalsContact O-CB 3.28Å; F380-T384 WeakPolarHBondContact O-CB 3.41Å; F380-T384 VanDerWaalsContact O-CG2 3.25Å; F380-T384 WeakPolarHBondContact O-CG2 3.3Å; F380-T384 PolarHBondContact O-N 3.23Å; F380-T384 PolarHBondContact O-OG1 2.98Å
381V85Confident76.6Confident65 Ų6551.1 Ų51.139%0.39427%0.267SS..Hα-helixtrans-58.8-50.3176.9174.80000110.6T170 G377 E378 S385T170-V381 HydrophobicContact CG2-CG2 3.29Å; G377-V381 WeakPolarHBondContact O-CG2 3.3Å; G377-V381 PolarHBondContact O-N 3.24Å; E378-V381 PolarHBondContact O-N 3.3Å; V381-S385 WeakPolarHBondContact O-CB 3.36Å; V381-S385 PolarHBondContact O-N 2.69Å; V381-S385 PolarHBondContact O-OG 3.09Å
382W86.7Confident76.1Confident39 Ų3950 Ų5015%0.14826%0.263CS..Hα-helixtrans-61.5-52.3-177.3-166.470.1000111.9F277 L322 E378 L379 F380 T384 S385 S386F277-W382 HydrophobicContact CE1-CZ3 4.06Å; L322-W382 HydrophobicContact CD1-CD2 4.33Å; L322-W382 HydrophobicContact CD1-CE3 4.21Å; L322-W382 HydrophobicContact CD1-CH2 3.75Å; L322-W382 HydrophobicContact CD1-CZ2 3.87Å; L322-W382 HydrophobicContact CD1-CZ3 3.9Å; L322-W382 HydrophobicContact CD2-CB 4.41Å; L322-W382 HydrophobicContact CD2-CD2 3.65Å; L322-W382 HydrophobicContact CD2-CE3 3.77Å; L322-W382 HydrophobicContact CD2-CG 3.92Å; L322-W382 HydrophobicContact CD2-CZ3 4.3Å; L322-W382 HydrophobicContact CG-CD2 3.99Å; L322-W382 HydrophobicContact CG-CE3 4.27Å; L322-W382 HydrophobicContact CG-CG 4.46Å; L322-W382 HydrophobicContact CG-CH2 4.4Å; L322-W382 HydrophobicContact CG-CZ2 4.12Å; L322-W382 HydrophobicContact CG-CZ3 4.45Å; E378-W382 PolarHBondContact O-N 3.06Å; L379-W382 PolarHBondContact O-N 2.96Å; F380-W382 PolarHBondContact O-N 3.27Å; W382-T384 PolarHBondContact O-N 2.87Å; W382-S385 PolarHBondContact O-N 2.88Å; W382-S385 PolarHBondContact O-OG 3.02Å; W382-S386 PolarHBondContact O-N 3.28Å
383F88.5Confident75Confident4 Ų455.5 Ų55.52%0.01829%0.293CS..Hα-helixtrans-73.7-23.5-177.6-71.3-59000114.9W205 T276 F277 Y280 L379W205-F383 AromaticContact CH2-CD2 3.98Å; W205-F383 HydrophobicContact CH2-CD2 3.98Å; W205-F383 HydrophobicContact CZ2-CB 4.31Å; W205-F383 HydrophobicContact CZ2-CD2 4.29Å; T276-F383 HydrophobicContact CG2-CD2 3.79Å; T276-F383 HydrophobicContact CG2-CE2 3.55Å; T276-F383 HydrophobicContact CG2-CZ 4.35Å; F277-F383 HydrophobicContact CB-CZ 4.46Å; F277-F383 AromaticContact CD1-CZ 3.93Å; F277-F383 HydrophobicContact CD1-CZ 3.93Å; F277-F383 HydrophobicContact CD2-CE2 4.22Å; F277-F383 AromaticContact CD2-CZ 3.87Å; F277-F383 HydrophobicContact CD2-CZ 3.87Å; F277-F383 HydrophobicContact CE1-CZ 4.1Å; F277-F383 HydrophobicContact CE2-CE2 4.27Å; F277-F383 HydrophobicContact CE2-CZ 4.08Å; F277-F383 AromaticContact CG-CZ 3.82Å; F277-F383 HydrophobicContact CG-CZ 3.82Å; F277-F383 HydrophobicContact CZ-CZ 4.18Å; Y280-F383 HydrophobicContact CD1-CB 4.04Å; Y280-F383 HydrophobicContact CD1-CD1 4.08Å; Y280-F383 HydrophobicContact CD1-CG 4.34Å; Y280-F383 HydrophobicContact CD2-CB 3.92Å; Y280-F383 AromaticContact CD2-CD1 3.73Å; Y280-F383 HydrophobicContact CD2-CD1 3.73Å; Y280-F383 HydrophobicContact CD2-CD2 4.12Å; Y280-F383 HydrophobicContact CD2-CE1 4.21Å; Y280-F383 AromaticContact CD2-CG 3.68Å; Y280-F383 HydrophobicContact CD2-CG 3.68Å; Y280-F383 HydrophobicContact CE1-CB 4.04Å; Y280-F383 HydrophobicContact CE2-CB 3.93Å; Y280-F383 HydrophobicContact CE2-CD2 4.49Å; Y280-F383 HydrophobicContact CE2-CG 4.13Å; Y280-F383 HydrophobicContact CG-CB 3.99Å; Y280-F383 AromaticContact CG-CD1 3.45Å; Y280-F383 HydrophobicContact CG-CD1 3.45Å; Y280-F383 VanDerWaalsContact CG-CD1 3.45Å; Y280-F383 HydrophobicContact CG-CE1 4.02Å; Y280-F383 AromaticContact CG-CG 3.81Å; Y280-F383 HydrophobicContact CG-CG 3.81Å; L379-F383 HydrophobicContact CB-CD2 4.19Å; L379-F383 HydrophobicContact CB-CE2 4.27Å; L379-F383 HydrophobicContact CD2-CE2 3.88Å; L379-F383 WeakPolarHBondContact O-CB 3.12Å; L379-F383 WeakPolarHBondContact O-CD2 3.1Å; L379-F383 PolarHBondContact O-N 3.05Å
384T84.6Confident74.2Confident50 Ų5057.4 Ų57.431%0.30731%0.305SS..Hα-helixtrans-85.5-23.3174.859.20000113A179 F380 W382 S386A179-T384 HydrophobicContact CB-CG2 3.73Å; F380-T384 HydrophobicContact CD1-CG2 4.35Å; F380-T384 HydrophobicContact CD2-CG2 4.15Å; F380-T384 HydrophobicContact CE1-CG2 4.2Å; F380-T384 HydrophobicContact CE2-CG2 4Å; F380-T384 HydrophobicContact CG-CG2 4.32Å; F380-T384 HydrophobicContact CZ-CG2 4.02Å; F380-T384 VanDerWaalsContact O-CB 3.28Å; F380-T384 WeakPolarHBondContact O-CB 3.41Å; F380-T384 VanDerWaalsContact O-CG2 3.25Å; F380-T384 WeakPolarHBondContact O-CG2 3.3Å; F380-T384 PolarHBondContact O-N 3.23Å; F380-T384 PolarHBondContact O-OG1 2.98Å; W382-T384 PolarHBondContact O-N 2.87Å; T384-S386 VanDerWaalsContact C-N 3.31Å
385S79.7Confident73.6Confident87 Ų8757.7 Ų57.761%0.60831%0.306SS*.Hα-helixtrans-68.2-31.1169.277.10000112.8V381 W382V381-S385 WeakPolarHBondContact O-CB 3.36Å; V381-S385 PolarHBondContact O-N 2.69Å; V381-S385 PolarHBondContact O-OG 3.09Å; W382-S385 PolarHBondContact O-N 2.88Å; W382-S385 PolarHBondContact O-OG 3.02Å
386S62.5Low72.2Confident70 Ų7061.2 Ų61.249%0.4932%0.324SS..SBendtrans-114.484.3-173.6-65.70000111.4W382 T384W382-S386 PolarHBondContact O-N 3.28Å; T384-S386 VanDerWaalsContact C-N 3.31Å
387L58.2Low70.2Confident113 Ų11362.6 Ų62.659%0.59233%0.333SS*.  trans-56.1130.9-179.6-72171000112.1I182 N389I182-L387 HydrophobicContact CD1-CD2 3.58Å; L387-N389 PolarHBondContact O-N 2.98Å
388P56.8Low68Low28 Ų2866.5 Ų66.518%0.18236%0.36CS..  trans-71.4117.4178.828.1-32.9000110.5I182 Y280 R390 I392I182-P388 HydrophobicContact CG2-CG 4.45Å; Y280-P388 HydrophobicContact CD1-CB 4.28Å; Y280-P388 HydrophobicContact CD1-CG 3.94Å; Y280-P388 HydrophobicContact CE1-CG 4.14Å; P388-R390 PolarHBondContact O-N 2.9Å; P388-I392 HydrophobicContact CG-CD1 4.28Å
389N50.8Low65.7Low176 Ų17671.5 Ų71.594%0.94139%0.392SS*.  trans-71.964.1175.8-77.7-27.9000112L387L387-N389 PolarHBondContact O-N 2.98Å
390R60.4Low63.2Low155 Ų15574.8 Ų74.859%0.58541%0.409SS*.SBendtrans-151.9133.3-177.1-176.9177.6179.4-1751.2110.8P388 I392P388-R390 PolarHBondContact O-N 2.9Å; R390-I392 PolarHBondContact O-N 3.45Å; R390-I392 VanDerWaalsContact O-N 3.09Å
391E54.7Low60.5Low184 Ų18480.4 Ų80.486%0.8644%0.44SS*.  trans-64.8111.2169.2-65.6-169138.500110.2
392I61.8Low58.1Low39 Ų3985 Ų8520%0.245%0.451CS..  trans-91.8109.9171.2-63.5163.1000106.5I182 F279 P388 R390I182-I392 HydrophobicContact CG2-CD1 4.22Å; I182-I392 WeakPolarHBondContact O-CD1 3.36Å; F279-I392 HydrophobicContact CE1-CD1 4.05Å; F279-I392 HydrophobicContact CZ-CD1 3.84Å; F279-I392 HydrophobicContact CZ-CG1 4.46Å; P388-I392 HydrophobicContact CG-CD1 4.28Å; R390-I392 PolarHBondContact O-N 3.45Å; R390-I392 VanDerWaalsContact O-N 3.09Å
393N60.9Low55.7Low125 Ų12587.6 Ų87.667%0.66847%0.471SS*.  trans-52.8142.3173.3-70.9-13.6000110.1R212R212-N393 PolarHBondContact NH2-O 3.39Å
394P67.1Low53.4Low40 Ų4094.6 Ų94.626%0.2650%0.502SS..  trans-62.2161.1175.725.3-34000112.2T184 R212 I396 Y405T184-P394 CarbonylContact O-C 3.2Å; T184-P394 WeakPolarHBondContact O-CA 3.3Å; R212-P394 PolarHBondContact NH2-O 3.23Å; P394-I396 PolarHBondContact O-N 3.19Å; P394-Y405 HydrophobicContact CB-CE1 4.49Å
395I66.6Low51Low10 Ų1095 Ų955%0.05150%0.498CS..  trans-73.2113.2163-65.1176.2000107.7T184 R212 L226 T227 P397T184-I395 HydrophobicContact CG2-CD1 3.69Å; T184-I395 PolarHBondContact O-N 2.84Å; R212-I395 VanDerWaalsContact CZ-CG1 3.48Å; L226-I395 HydrophobicContact CB-CD1 3.84Å; L226-I395 HydrophobicContact CD1-CD1 3.97Å; L226-I395 HydrophobicContact CG-CD1 4.42Å; T227-I395 HydrophobicContact CG2-CG2 3.8Å; I395-P397 WeakPolarHBondContact O-CD 3.38Å
396I52.2Low49Very low77 Ų7795.5 Ų95.540%0.39549%0.493SS..  trans-90.9114.5170-56.1175.7000107.2P394 Y402P394-I396 PolarHBondContact O-N 3.19Å; I396-Y402 HydrophobicContact CD1-CE1 4.38Å
397P48.9Very low47.9Very low28 Ų2898.1 Ų98.118%0.18250%0.497CS..  trans-66.7147.2176-20.234.3000111.4T227 I395 T399 I400T227-P397 HydrophobicContact CG2-CB 4.23Å; T227-P397 HydrophobicContact CG2-CG 4.08Å; I395-P397 WeakPolarHBondContact O-CD 3.38Å; P397-T399 PolarHBondContact O-N 2.97Å; P397-I400 HydrophobicContact CB-CD1 4.29Å; P397-I400 HydrophobicContact CB-CG1 4.22Å; P397-I400 HydrophobicContact CG-CD1 3.79Å; P397-I400 HydrophobicContact CG-CG1 4.25Å; P397-I400 PolarHBondContact O-N 3.46Å
398S38Very low46.9Very low82 Ų8298.8 Ų98.857%0.57350%0.497SS*.THydrogen-bonded Turntrans-59.6-8.6-177.350.10000115.2E224E224-S398 PolarHBondContact OE1-OG 3.26Å
399T35.2Very low45.8Very low125 Ų125101.9 Ų101.977%0.76751%0.508SS*.THydrogen-bonded Turntrans-119.3-2.2-172.249.90000115.2P397P397-T399 PolarHBondContact O-N 2.97Å
400I36.8Very low45.1Very low70 Ų70100.4 Ų100.436%0.35949%0.493SS..  trans-96.1125.8-177.5-60.4-175000111.8P397 Y402 Y405P397-I400 HydrophobicContact CB-CD1 4.29Å; P397-I400 HydrophobicContact CB-CG1 4.22Å; P397-I400 HydrophobicContact CG-CD1 3.79Å; P397-I400 HydrophobicContact CG-CG1 4.25Å; P397-I400 PolarHBondContact O-N 3.46Å; I400-Y402 PolarHBondContact O-N 3.05Å; I400-Y405 HydrophobicContact CD1-CD2 4.37Å; I400-Y405 HydrophobicContact CD1-CE2 4.49Å; I400-Y405 HydrophobicContact CG2-CD2 4.2Å
401N34.4Very low43.8Very low122 Ų12297.7 Ų97.765%0.65249%0.49SS*.  trans-68.8124.6179.7-157.9-6.7000111.1T403 K404N401-T403 PolarHBondContact O-N 3.41Å; N401-K404 PolarHBondContact O-N 3.21Å
402Y35.8Very low42.8Very low160 Ų16092.9 Ų92.963%0.62748%0.477SS*.Hα-helixtrans-50-35.1-167.1-99.3-97.6000114.8I396 I400 K404 I406I396-Y402 HydrophobicContact CD1-CE1 4.38Å; I400-Y402 PolarHBondContact O-N 3.05Å; Y402-K404 PolarHBondContact O-N 2.91Å; Y402-I406 WeakPolarHBondContact O-CG1 3.47Å
403T36.9Very low41.4Very low94 Ų9499.2 Ų99.258%0.57750%0.503SS*.Hα-helixtrans-62.9-40.6-17943.50000113.3N401 Q407N401-T403 PolarHBondContact O-N 3.41Å; T403-Q407 PolarHBondContact O-N 2.92Å
404K38.7Very low39.8Very low152 Ų15299.8 Ų99.866%0.66151%0.506SS*.Hα-helixtrans-74.6-33.3-170.3-156173.2-1741800112.8N401 Y402 Q408N401-K404 PolarHBondContact O-N 3.21Å; Y402-K404 PolarHBondContact O-N 2.91Å; K404-Q408 PolarHBondContact O-N 3Å
405Y34.2Very low37.8Very low58 Ų58107.2 Ų107.223%0.22754%0.537CS..Hα-helixtrans-75.4-37.7179.8-148.6-93.2000112.1C186 P394 I400 Q407 Q408 F409C186-Y405 PolarHBondContact SG-OH 2.84Å; P394-Y405 HydrophobicContact CB-CE1 4.49Å; I400-Y405 HydrophobicContact CD1-CD2 4.37Å; I400-Y405 HydrophobicContact CD1-CE2 4.49Å; I400-Y405 HydrophobicContact CG2-CD2 4.2Å; Y405-Q407 PolarHBondContact O-N 2.87Å; Y405-Q408 PolarHBondContact O-N 3.32Å; Y405-F409 HydrophobicContact CD1-CD2 4.05Å; Y405-F409 AromaticContact CE1-CD2 3.81Å; Y405-F409 HydrophobicContact CE1-CD2 3.81Å; Y405-F409 AromaticContact CE1-CE2 3.87Å; Y405-F409 HydrophobicContact CE1-CE2 3.87Å; Y405-F409 PolarHBondContact O-N 3.39Å; Y405-F409 VanDerWaalsContact O-N 3.12Å
406I38.8Very low35.9Very low98 Ų98109.5 Ų109.550%0.50356%0.564SS.*Hα-helixtrans-63.5-28.7174.8-69.9173.6000111.6Y402 K410Y402-I406 WeakPolarHBondContact O-CG1 3.47Å; I406-K410 PolarHBondContact O-N 2.99Å
407Q38.4Very low34.7Very low125 Ų125114.7 Ų114.758%0.58458%0.584SS**Hα-helixtrans-71.1-53.8178-142.4149.5-7.300110.8T403 Y405 F409 K410 D411T403-Q407 PolarHBondContact O-N 2.92Å; Y405-Q407 PolarHBondContact O-N 2.87Å; Q407-F409 PolarHBondContact O-N 2.86Å; Q407-F409 VanDerWaalsContact O-N 3.15Å; Q407-K410 WeakPolarHBondContact O-CB 3.15Å; Q407-K410 PolarHBondContact O-N 2.92Å; Q407-D411 VanDerWaalsContact O-CG 3.23Å; Q407-D411 PolarHBondContact O-N 3.04Å
408Q36.7Very low33.7Very low126 Ų126120.5 Ų120.559%0.58961%0.614SS**Hα-helixtrans-58.9-30.4175.7-66.5-172.6-68.200113.6K404 Y405 K410 S412K404-Q408 PolarHBondContact O-N 3Å; Y405-Q408 PolarHBondContact O-N 3.32Å; Q408-K410 VanDerWaalsContact C-N 3.31Å; Q408-S412 WeakPolarHBondContact O-CB 3.32Å; Q408-S412 PolarHBondContact O-N 2.75Å; Q408-S412 VanDerWaalsContact O-N 3.12Å; Q408-S412 PolarHBondContact O-OG 2.99Å
409F34.3Very low33Very low93 Ų93121.7 Ų121.741%0.40862%0.622SS.*Hα-helixtrans-76.8-11.6175.2-117.6-80.2000114.7Y405 Q407Y405-F409 HydrophobicContact CD1-CD2 4.05Å; Y405-F409 AromaticContact CE1-CD2 3.81Å; Y405-F409 HydrophobicContact CE1-CD2 3.81Å; Y405-F409 AromaticContact CE1-CE2 3.87Å; Y405-F409 HydrophobicContact CE1-CE2 3.87Å; Y405-F409 PolarHBondContact O-N 3.39Å; Y405-F409 VanDerWaalsContact O-N 3.12Å; Q407-F409 PolarHBondContact O-N 2.86Å; Q407-F409 VanDerWaalsContact O-N 3.15Å
410K36.1Very low32.6Very low146 Ų146122.6 Ų122.664%0.63562%0.621SS**Hα-helixtrans-89.1-44.4166.7-75.1-176.3174.1-171.80111.2I406 Q407 Q408 S412 K413I406-K410 PolarHBondContact O-N 2.99Å; Q407-K410 WeakPolarHBondContact O-CB 3.15Å; Q407-K410 PolarHBondContact O-N 2.92Å; Q408-K410 VanDerWaalsContact C-N 3.31Å; K410-S412 VanDerWaalsContact C-N 3.31Å; K410-S412 PolarHBondContact O-N 2.66Å; K410-K413 PolarHBondContact O-N 3.42Å
411D33.6Very low32.1Very low97 Ų97127.7 Ų127.752%0.51964%0.641SS.*Hα-helixtrans-59.3-45-178.5-52.8-30.7000110.6Q407 K413 N414Q407-D411 VanDerWaalsContact O-CG 3.23Å; Q407-D411 PolarHBondContact O-N 3.04Å; D411-K413 PolarHBondContact O-N 3.03Å; D411-K413 VanDerWaalsContact O-N 3.09Å; D411-N414 PolarHBondContact O-N 3.36Å; D411-N414 VanDerWaalsContact O-N 3.09Å
412S32.8Very low31.5Very low83 Ų83127.1 Ų127.158%0.5865%0.645SS**THydrogen-bonded Turntrans-701.6176.953.50000116.2Q408 K410Q408-S412 WeakPolarHBondContact O-CB 3.32Å; Q408-S412 PolarHBondContact O-N 2.75Å; Q408-S412 VanDerWaalsContact O-N 3.12Å; Q408-S412 PolarHBondContact O-OG 2.99Å; K410-S412 VanDerWaalsContact C-N 3.31Å; K410-S412 PolarHBondContact O-N 2.66Å
413K32.7Very low30.9Very low172 Ų172128.9 Ų128.975%0.74866%0.656SS**THydrogen-bonded Turntrans-108.5-1.1169.1-79.4-167.3172.6-173.60114K410 D411K410-K413 PolarHBondContact O-N 3.42Å; D411-K413 PolarHBondContact O-N 3.03Å; D411-K413 VanDerWaalsContact O-N 3.09Å
414N27.7Very low30.6Very low137 Ų137131.4 Ų131.473%0.73367%0.672SS**THydrogen-bonded Turntrans-105.6-15.2-179.7-82.3-2.4000114.7D411 G416D411-N414 PolarHBondContact O-N 3.36Å; D411-N414 VanDerWaalsContact O-N 3.09Å; N414-G416 PolarHBondContact O-N 2.83Å
415E26Very low29.8Very low196 Ų196128.7 Ų128.792%0.91667%0.671SS**THydrogen-bonded Turntrans-77.472.1171.9-66-164.6153.800111
416G25Very low29.7Very low59 Ų59132.5 Ų132.561%0.60870%0.696SS**THydrogen-bonded Turntrans-158.60.2-172.800000117.8N414N414-G416 PolarHBondContact O-N 2.83Å
417F26.9Very low29.2Very low185 Ų185133.1 Ų133.181%0.81170%0.704SS**SBendtrans-143.8117.9175-94.9-76.7000114.4
418N28.8Very low28.6Very low151 Ų151134 Ų13481%0.80771%0.713SS**  trans50.6121.7153.2-61.7-9.4000120.6
419S22.8Very low28.2Very low107 Ų107134.6 Ų134.675%0.74872%0.72SS**  trans-74.4143.5158.350.70000112
420L26.3Very low27.8Very low144 Ų144136.7 Ų136.775%0.75474%0.736SS**  -173.2143.5126.8-122.673.7000113.8
421K27.2Very low27.4Very low177 Ų177138 Ų13877%0.7774%0.744SS**  trans62.299.2152.6-70.6-179.5179.6178.30122.2
422C22.7Very low27.1Very low109 Ų109140.9 Ų140.974%0.73676%0.758SS**  70.3114.2113.5-63.20000123.5
423K23.2Very low26.7Very low197 Ų197144 Ų14486%0.85777%0.768SS**  52.8118.9125.6-61.3-175176.8-173.70120.8
424T28.7Very low26.3Very low148 Ų148143.4 Ų143.491%0.90877%0.77SS**  -154.4173.6100.622.50000110.4
425S23.9Very low26.2Very low94 Ų94143.2 Ų143.266%0.65777%0.767SS**  trans-113.8170-174.647.30000112.3
426D30.2Very low26.1Very low139 Ų139143 Ų14374%0.74377%0.766SS**  169.3119.6116.3-79.6-7.5000114.5
427T28.6Very low26Very low110 Ų110147.4 Ų147.468%0.67578%0.775SS**  trans32.2121.2140.750.70000124.8
428D26.5Very low26Very low143 Ų143145 Ų14577%0.76577%0.771SS**  95.8150.5114.2-59.8-11.2000126
429D28.8Very low26Very low139 Ų139145 Ų14574%0.74377%0.766SS**  trans73.686.1155.3-75.8-24.7000126.1
430N26.1Very low26.2Very low137 Ų137145.8 Ų145.873%0.73377%0.766SS**  49.8146.9103.1-91.4-44.9000125.2
431Q27Very low26.2Very low175 Ų175144.6 Ų144.682%0.81876%0.76SS**  trans68.5130.5163.3-62.9178.647.400116.6
432I28Very low26.2Very low156 Ų156142.4 Ų142.480%0.876%0.757SS**  -151.7147.262.2-83.8169.8000111.4
433N24Very low26.3Very low149 Ų149144.7 Ų144.780%0.79776%0.762SS**  trans-87.2146.8169.1-83-41.3000112
434M24.7Very low26.3Very low160 Ų160139.8 Ų139.879%0.78875%0.752SS**  trans-143.5125.2148.3-97.9-55.6-62.800110.9
435I24.8Very low26.2Very low132 Ų132140.6 Ų140.668%0.67775%0.751SS**  trans-116.1146.3169.5-67.2171.8000106.7L437I435-L437 HydrophobicContact CG2-CB 4.35Å
436Q24.6Very low26.1Very low191 Ų191141.1 Ų141.189%0.89376%0.755SS**  trans-119.6131.6150.1-93.1-171.9-25.800109.7
437L23.4Very low25.9Very low152 Ų152139.4 Ų139.480%0.79676%0.76SS**  trans-133.6138174.2-164.788.6000105.1I435I435-L437 HydrophobicContact CG2-CB 4.35Å
438D26.4Very low25.6Very low136 Ų136140.3 Ų140.373%0.72777%0.771SS**  trans164.5151.3163.5-92.6-9.8000108.6
439Q27.6Very low25.5Very low150 Ų150137 Ų13770%0.70177%0.771SS**  cis-155.9-172.42.8-130.9167.359.700110.3
440V28Very low25.2Very low123 Ų123139.8 Ų139.875%0.74577%0.771SS**  trans84.671.1167.3-160.10000117
441N26.3Very low25.1Very low119 Ų119136.5 Ų136.564%0.63677%0.769SS**  60.9139.7106.3-75.857.6000123.3
442D26.8Very low24.9Very low132 Ų132133.3 Ų133.371%0.70676%0.762SS**  trans55.9127.6139.6-43.6-22.2000118.5
443D25.4Very low24.5Very low157 Ų157135.2 Ų135.284%0.8476%0.761SS**  cis-146.6151.828.7-130.3-30.7000113.2
444S23.1Very low24.5Very low93 Ų93137.6 Ų137.665%0.6576%0.758SS**  trans-99.6133.617468.40000111
445N25.8Very low24.3Very low165 Ų165136 Ų13688%0.88275%0.752SS**  trans-166.1151.8137.8-110.4-58.5000114.1
446S23Very low24.3Very low106 Ų106133.9 Ų133.974%0.74174%0.742SS**  trans-103.4148.3178.566.80000111.7
447A25Very low24.4Very low103 Ų103131.3 Ų131.385%0.85173%0.73SS**  trans-160.4123142.600000111.2
448S23.1Very low24.5Very low128 Ų128128.9 Ų128.990%0.89572%0.722SS**  trans-87.3150.8157.660.30000109.3
449G23Very low24.3Very low75 Ų75131.3 Ų131.377%0.77373%0.727SS**  trans-157.889.9-17200000114.7
450R23Very low24.2Very low197 Ų197130 Ų13074%0.74372%0.724SS**  trans-7.5137.9157.8-49.5176.8-175.6-1632.7115.2D456R450-D456 IonicContact NH1-OD1 3.86Å; R450-D456 PolarHBondContact NH1-OD1 3.47Å
451G23.6Very low24.1Very low67 Ų67134.5 Ų134.569%0.69173%0.728SS**  cis81.8155.133.300000111.7
452T23.1Very low24.1Very low109 Ų109136.1 Ų136.167%0.66973%0.731SS**SBendtrans-162.7140.616421.70000108.3
453Y20.6Very low24.1Very low196 Ų196137.3 Ų137.377%0.76973%0.733SS**  cis-126.2130.610.7-65.2-86.2000109.3
454R22.4Very low24Very low198 Ų198134.2 Ų134.275%0.74772%0.724SS**  75.9134.980.2-110.8-169.4173.2158.80.1112.5
455L22.2Very low24Very low126 Ų126139.3 Ų139.366%0.6674%0.737SS**  cis-143.8133.716-72.3152.3000112.4
456D23.3Very low23.9Very low89 Ų89135 Ų13548%0.47673%0.731SS.*  58153.9115.1-49.1-6.9000123.2R450R450-D456 IonicContact NH1-OD1 3.86Å; R450-D456 PolarHBondContact NH1-OD1 3.47Å
457E26.4Very low24Very low136 Ų136138.5 Ų138.564%0.63674%0.736SS**  cis-168156.6-13.4-111.2-179.4-177.900116.6
458T25.6Very low24Very low102 Ų102141.8 Ų141.863%0.62673%0.733SS**  trans56.7126.2143.960.50000124.6
459F24Very low24.1Very low187 Ų187140.7 Ų140.782%0.8273%0.726SS**  70.4154.889-72.7-54000117
460N24.8Very low24.3Very low123 Ų123143.4 Ų143.466%0.65873%0.728SS**  cis-153.7173.8-3-122.9-37.6000107.6
461R25.8Very low24.5Very low217 Ų217142.4 Ų142.482%0.81973%0.729SS**  -178.316351.2-168.4179.3-92.7-158.4-3.6111.9
462H27Very low24.6Very low152 Ų152146.3 Ų146.370%0.70473%0.729SS**  trans-18.4163.7157.6-55.2-61.8000121.3
463Q25.9Very low24.7Very low157 Ų157147.1 Ų147.173%0.73473%0.729SS**  cis178.4163.5-13.8173.2172.8-6.100111.2
464S23.6Very low25Very low93 Ų93143.9 Ų143.965%0.6572%0.724SS**  trans63.9128.8157.751.80000123.3
465H23.5Very low25Very low200 Ų200141.8 Ų141.893%0.92672%0.723SS**  trans39.9136.7144.1-62.2-69000122.8
466G23.9Very low25.1Very low74 Ų74141.7 Ų141.776%0.76373%0.728SS**  trans146.998.5154.300000116.7
467E25.1Very low25.1Very low180 Ų180141.2 Ų141.284%0.84173%0.731SS**  trans28.3122.9149-58.3-176.1137.200123.9
468Q24.9Very low24.9Very low172 Ų172144.5 Ų144.580%0.80474%0.739SS**  trans46.2110.8132.5-55.6-171.27.800123.3
469S23.6Very low24.8Very low105 Ų105147.9 Ų147.973%0.73475%0.746SS**  trans68.8142.6138.278.90000118.8
470T28.5Very low24.8Very low132 Ų132145.6 Ų145.681%0.8174%0.74SS**  cis-157.3-179.845.734.10000113.8
471K26.2Very low24.7Very low176 Ų176150.3 Ų150.377%0.76575%0.749SS**  trans-55.1165.7168.9-68.2171.6-179.8173.20112.8
472Q26.4Very low24.7Very low148 Ų148145 Ų14569%0.69275%0.745SS**  cis-170.2159.99.4-128163.4-11.300111.5
473N24.6Very low24.5Very low127 Ų127147.1 Ų147.168%0.67975%0.752SS**  trans66159.6145.6-71.7-9.2000120.1
474L26.8Very low24.3Very low127 Ų127145.8 Ų145.867%0.66576%0.755SS**  cis-155.9143.9-1.8-120.3163.5000112.6
475Q23.7Very low24.4Very low155 Ų155149.2 Ų149.272%0.72476%0.764SS**  trans55.9129.3146.2-92.2174.6-6.200126.3
476T23.1Very low24.3Very low123 Ų123151.2 Ų151.276%0.75576%0.764SS**  trans66.9145.713852.40000123.3
477S23.7Very low24.4Very low79 Ų79156 Ų15655%0.55277%0.771SS**  cis-171.9153.4-21.1520000114.2
478Y22.8Very low24.5Very low206 Ų206154.2 Ų154.281%0.80877%0.767SS**  trans69.4150.2156-54.5-41.7000118.9
479F22.8Very low24.6Very low173 Ų173154.5 Ų154.576%0.75977%0.766SS**  cis-154.9155.96.4-144.6-140.9000113.3
480I23.3Very low24.7Very low138 Ų138157.4 Ų157.471%0.70877%0.773SS**  trans70.4136.4165.8-51.9-179.1000115.5
481R24.5Very low24.8Very low223 Ų223156.9 Ų156.984%0.84277%0.765SS**  cis-143.4144.612.7-144.9162.5-177.8154-1113.2
482S24.5Very low25Very low105 Ų105151.8 Ų151.873%0.73475%0.751SS**  trans42.7110.9151.556.20000122.5
483K22.6Very low25.2Very low196 Ų196147.6 Ų147.685%0.85273%0.734SS**  trans-78.8178146-65.7-177.8175.5178.80109.5
484T23.1Very low25.6Very low129 Ų129147.7 Ų147.779%0.79173%0.728SS**  cis-157.6153.522.5-38.30000111.2
485I24.3Very low25.9Very low165 Ų165147.7 Ų147.785%0.84673%0.725SS**  trans-115.5148.6172.9-71.8177000110.7
486R22.6Very low26.5Very low242 Ų242146.7 Ų146.791%0.91372%0.718SS**PPolyproline II helixtrans-85.7152.5178.7-66172.5171.1153.8-6.2112
487L24.9Very low26.8Very low175 Ų175144.2 Ų144.292%0.91670%0.7SS**PPolyproline II helixtrans-96.3151.8167.7-70.2172.1000112
488N27.2Very low27.2Very low143 Ų143143.6 Ų143.677%0.76569%0.69SS**PPolyproline II helixtrans-77.7134.6177-89.3-36.6000110.6
489K27.7Very low27.8Very low178 Ų178136.9 Ų136.977%0.77467%0.674SS**  65.699.274.9-71.3-168177.1-175.20114.9
490N25.3Very low28.3Very low166 Ų166132.8 Ų132.889%0.88866%0.655SS**  trans-141.794.8135.5-95-25.3000106.3
491L30.5Very low28.7Very low121 Ų121128.4 Ų128.463%0.63463%0.633SS**  trans-141.516.6-167.4-152.681.3000113.3
492S31.3Very low29.1Very low69 Ų69124.1 Ų124.148%0.48362%0.621SS.*THydrogen-bonded Turntrans-85.9-21.1-167.943.80000115.7
493D30.8Very low29.7Very low60 Ų60124.4 Ų124.432%0.32161%0.611SS.*THydrogen-bonded Turntrans-98.2-34-172.7-72.2-79.2000113K237 E495 K496 L497K237-D493 HydrophobicContact CD-CB 4.35Å; K237-D493 IonicContact NZ-OD1 2.73Å; K237-D493 PolarHBondContact NZ-OD1 3.41Å; D493-E495 PolarHBondContact O-N 3.45Å; D493-K496 WeakPolarHBondContact O-CB 3.34Å; D493-K496 PolarHBondContact O-N 2.97Å; D493-L497 PolarHBondContact O-N 3.22Å; D493-L497 VanDerWaalsContact O-N 3.13Å
494F31.4Very low30Very low128 Ų128117.8 Ų117.856%0.56158%0.584SS**Hα-helixtrans-59.7-37.4170-168.6-106.7000111.4K496 L497 N498F494-K496 VanDerWaalsContact C-N 3.32Å; F494-K496 PolarHBondContact O-N 3.43Å; F494-L497 PolarHBondContact O-N 3.21Å; F494-N498 WeakPolarHBondContact O-CB 3.46Å; F494-N498 PolarHBondContact O-N 3.41Å
495E33.2Very low30.5Very low127 Ų127112 Ų11259%0.59355%0.549SS*.Hα-helixtrans-65.1-31174.1-69.7-170.6150.400113.1D493 S499D493-E495 PolarHBondContact O-N 3.45Å; E495-S499 VanDerWaalsContact O-CB 3.23Å; E495-S499 WeakPolarHBondContact O-CB 3.27Å; E495-S499 PolarHBondContact O-N 3.24Å; E495-S499 PolarHBondContact O-OG 3.42Å
496K36.4Very low30.8Very low134 Ų134104.9 Ų104.958%0.58351%0.513SS*.Hα-helixtrans-72.5-38.8174.8-76.2179.1177.6173.70112.4D493 F494 S499 K500D493-K496 WeakPolarHBondContact O-CB 3.34Å; D493-K496 PolarHBondContact O-N 2.97Å; F494-K496 VanDerWaalsContact C-N 3.32Å; F494-K496 PolarHBondContact O-N 3.43Å; K496-S499 WeakPolarHBondContact CA-OG 3.4Å; K496-S499 PolarHBondContact O-OG 3.31Å; K496-S499 VanDerWaalsContact O-OG 3.1Å; K496-K500 PolarHBondContact O-N 2.92Å
497L30.6Very low31.1Very low72 Ų7296.9 Ų96.938%0.37749%0.485SS..Hα-helixtrans-67.5-47.1174-162.379.6000110.7D493 F494 S499 K500 L501D493-L497 PolarHBondContact O-N 3.22Å; D493-L497 VanDerWaalsContact O-N 3.13Å; F494-L497 PolarHBondContact O-N 3.21Å; L497-S499 VanDerWaalsContact C-N 3.33Å; L497-S499 PolarHBondContact O-N 2.92Å; L497-K500 PolarHBondContact O-N 3.06Å; L497-L501 HydrophobicContact CG-CD1 4.36Å; L497-L501 WeakPolarHBondContact O-CB 3.26Å; L497-L501 PolarHBondContact O-N 2.81Å
498N31Very low31.4Very low66 Ų6694.9 Ų94.935%0.35347%0.471SS..Hα-helixtrans-72.6-22.7-176.4-155.6-7.7000112.9F494 K502F494-N498 WeakPolarHBondContact O-CB 3.46Å; F494-N498 PolarHBondContact O-N 3.41Å; N498-K502 VanDerWaalsContact O-CB 3.27Å; N498-K502 WeakPolarHBondContact O-CB 3.13Å; N498-K502 VanDerWaalsContact O-CG 3.3Å; N498-K502 WeakPolarHBondContact O-CG 3.37Å; N498-K502 PolarHBondContact O-N 2.86Å
499S35.2Very low31.6Very low65 Ų6588.7 Ų88.746%0.45544%0.438SS..Hα-helixtrans-76.2-42.2168.948.80000112.8E495 K496 L497 K502 E503E495-S499 VanDerWaalsContact O-CB 3.23Å; E495-S499 WeakPolarHBondContact O-CB 3.27Å; E495-S499 PolarHBondContact O-N 3.24Å; E495-S499 PolarHBondContact O-OG 3.42Å; K496-S499 WeakPolarHBondContact CA-OG 3.4Å; K496-S499 PolarHBondContact O-OG 3.31Å; K496-S499 VanDerWaalsContact O-OG 3.1Å; L497-S499 VanDerWaalsContact C-N 3.33Å; L497-S499 PolarHBondContact O-N 2.92Å; S499-K502 WeakPolarHBondContact O-CB 3.23Å; S499-K502 PolarHBondContact O-N 3.14Å; S499-E503 PolarHBondContact O-N 3.48Å
500K33.7Very low31.6Very low86 Ų8683.3 Ų83.337%0.37442%0.42SS..Hα-helixtrans-62.7-44172.1-72.9-170.2173.7-165.30112K496 L497 E503K496-K500 PolarHBondContact O-N 2.92Å; L497-K500 PolarHBondContact O-N 3.06Å; K500-E503 WeakPolarHBondContact O-CB 3.16Å; K500-E503 PolarHBondContact O-N 2.75Å; K500-E503 VanDerWaalsContact O-N 3.14Å
501L32.8Very low31.7Very low47 Ų4782 Ų8225%0.24641%0.412CS..Hα-helixtrans-63.6-40173.3-88.8162.7000112.4L196 L497 E503 L504 S505L196-L501 HydrophobicContact CD1-CD2 4.5Å; L497-L501 HydrophobicContact CG-CD1 4.36Å; L497-L501 WeakPolarHBondContact O-CB 3.26Å; L497-L501 PolarHBondContact O-N 2.81Å; L501-E503 PolarHBondContact O-N 3.47Å; L501-E503 VanDerWaalsContact O-N 3.12Å; L501-L504 PolarHBondContact O-N 3.32Å; L501-L504 VanDerWaalsContact O-N 3.08Å; L501-S505 WeakPolarHBondContact O-CB 3.47Å; L501-S505 PolarHBondContact O-N 3.37Å
502K31Very low31.7Very low132 Ų13277 Ų7757%0.57439%0.388SS*.Hα-helixtrans-56.4-24.9172.4-95.2178174.9177.10114.1N498 S499 L504N498-K502 VanDerWaalsContact O-CB 3.27Å; N498-K502 WeakPolarHBondContact O-CB 3.13Å; N498-K502 VanDerWaalsContact O-CG 3.3Å; N498-K502 WeakPolarHBondContact O-CG 3.37Å; N498-K502 PolarHBondContact O-N 2.86Å; S499-K502 WeakPolarHBondContact O-CB 3.23Å; S499-K502 PolarHBondContact O-N 3.14Å; K502-L504 VanDerWaalsContact C-N 3.34Å
503E37.8Very low31.7Very low112 Ų11280.1 Ų80.152%0.52339%0.393SS..THydrogen-bonded Turntrans-86.9-5.1-177.9-143-177.7-160.900113.3R265 S499 K500 L501R265-E503 IonicContact CZ-OE2 3.54Å; R265-E503 VanDerWaalsContact NH1-CG 3.3Å; R265-E503 PolarHBondContact NH1-O 3.13Å; R265-E503 IonicContact NH1-OE2 2.76Å; R265-E503 PolarHBondContact NH1-OE2 3.14Å; R265-E503 IonicContact NH2-OE2 3.46Å; R265-E503 PolarHBondContact NH2-OE2 2.78Å; S499-E503 PolarHBondContact O-N 3.48Å; K500-E503 WeakPolarHBondContact O-CB 3.16Å; K500-E503 PolarHBondContact O-N 2.75Å; K500-E503 VanDerWaalsContact O-N 3.14Å; L501-E503 PolarHBondContact O-N 3.47Å; L501-E503 VanDerWaalsContact O-N 3.12Å
504L29.1Very low31.5Very low56 Ų5682 Ų8229%0.29341%0.406SS..THydrogen-bonded Turntrans-124.9-33.9178-66.3172.8000112.6W225 R265 L501 K502W225-L504 HydrophobicContact CZ2-CD1 4.5Å; R265-L504 HydrophobicContact CG-CD2 4.44Å; L501-L504 PolarHBondContact O-N 3.32Å; L501-L504 VanDerWaalsContact O-N 3.08Å; K502-L504 VanDerWaalsContact C-N 3.34Å
505S33.1Very low31.3Very low9 Ų977 Ų776%0.06339%0.391CS..SBendtrans-79.3142.9-177.1167.90000113.2D200 L501 K507D200-S505 WeakPolarHBondContact OD2-CB 2.96Å; D200-S505 PolarHBondContact OD2-OG 3.41Å; L501-S505 WeakPolarHBondContact O-CB 3.47Å; L501-S505 PolarHBondContact O-N 3.37Å; S505-K507 PolarHBondContact O-N 3.41Å; S505-K507 WeakPolarHBondContact OG-CB 3.37Å; S505-K507 VanDerWaalsContact OG-CD 3.24Å; S505-K507 WeakPolarHBondContact OG-CD 3.34Å; S505-K507 WeakPolarHBondContact OG-CG 3.31Å; S505-K507 PolarHBondContact OG-N 2.94Å
506T32Very low31Very low14 Ų1471.8 Ų71.89%0.08637%0.372CS..G310 helixtrans-72.924.3166.769.20000113.2D200 Q508 L509D200-T506 WeakPolarHBondContact OD1-CA 2.82Å; D200-T506 VanDerWaalsContact OD1-CB 3.22Å; D200-T506 WeakPolarHBondContact OD1-CB 3.41Å; D200-T506 WeakPolarHBondContact OD1-CG2 3.33Å; D200-T506 PolarHBondContact OD1-N 3.12Å; D200-T506 PolarHBondContact OD1-OG1 2.8Å; D200-T506 PolarHBondContact OD2-N 2.84Å; T506-Q508 PolarHBondContact O-N 2.89Å; T506-L509 HydrophobicContact CG2-CD1 4.09Å; T506-L509 WeakPolarHBondContact O-CA 3.38Å; T506-L509 WeakPolarHBondContact O-CB 3.42Å; T506-L509 PolarHBondContact O-N 2.69Å
507K28.6Very low30.6Very low74 Ų7467.4 Ų67.432%0.32235%0.354SS..G310 helixtrans-66.1-14.6165.6-77.2159.8-166.1163.90112.9G195 S505 L509 V510 N511G195-K507 PolarHBondContact O-NZ 2.95Å; S505-K507 PolarHBondContact O-N 3.41Å; S505-K507 WeakPolarHBondContact OG-CB 3.37Å; S505-K507 VanDerWaalsContact OG-CD 3.24Å; S505-K507 WeakPolarHBondContact OG-CD 3.34Å; S505-K507 WeakPolarHBondContact OG-CG 3.31Å; S505-K507 PolarHBondContact OG-N 2.94Å; K507-L509 PolarHBondContact O-N 2.65Å; K507-V510 PolarHBondContact O-N 3.13Å; K507-N511 PolarHBondContact O-N 3.29Å
508Q31.3Very low30.5Very low134 Ų13466.7 Ų66.763%0.62635%0.347SS*.G310 helixtrans-79.920.3157.2-77.5-155.4-5.800114.5T506 S512T506-Q508 PolarHBondContact O-N 2.89Å; Q508-S512 WeakPolarHBondContact O-CB 3.42Å; Q508-S512 PolarHBondContact O-OG 2.99Å
509L31.2Very low30.3Very low13 Ų1366.7 Ų66.77%0.06835%0.347CS..G310 helixtrans-130.312.4163.8-77.8152.9000111.2T366 T506 K507T366-L509 HydrophobicContact CG2-CD1 3.94Å; T366-L509 HydrophobicContact CG2-CD2 4.01Å; T366-L509 HydrophobicContact CG2-CG 3.96Å; T506-L509 HydrophobicContact CG2-CD1 4.09Å; T506-L509 WeakPolarHBondContact O-CA 3.38Å; T506-L509 WeakPolarHBondContact O-CB 3.42Å; T506-L509 PolarHBondContact O-N 2.69Å; K507-L509 PolarHBondContact O-N 2.65Å
510V28.1Very low29.9Very low65 Ų6567.9 Ų67.939%0.39435%0.353SS..THydrogen-bonded Turntrans-124-20.2171.2-174.10000110.8K507 L519K507-V510 PolarHBondContact O-N 3.13Å; V510-L519 HydrophobicContact CG1-CD1 3.72Å
511N27Very low29.6Very low137 Ų13769 Ų6973%0.73336%0.362SS*.SBendtrans-136.719.1176.5-83.4-72.9000113.6K507K507-N511 PolarHBondContact O-N 3.29Å
512S29.7Very low29.5Very low16 Ų1673.3 Ų73.311%0.11239%0.385CS..  trans-77145.8164.5500000110.5Q508 T514Q508-S512 WeakPolarHBondContact O-CB 3.42Å; Q508-S512 PolarHBondContact O-OG 2.99Å; S512-T514 PolarHBondContact O-N 3.42Å
513K30.9Very low29.2Very low136 Ų13671.9 Ų71.959%0.59139%0.391SS*.SBendtrans-92.830.7164.4-61.2-171.5176.9-171.10112Y518K513-Y518 VanDerWaalsContact CA-OH 3.3Å; K513-Y518 WeakPolarHBondContact CA-OH 3.39Å; K513-Y518 WeakPolarHBondContact CB-OH 3.26Å; K513-Y518 HydrophobicContact CG-CE1 4.28Å; K513-Y518 PolarHBondContact O-OH 3.45Å
514T26.5Very low28.5Very low98 Ų9870.8 Ų70.860%0.60140%0.396SS*.SBendtrans-158.874.3-169.552.10000108.6D89 S512D89-T514 WeakPolarHBondContact OD2-CA 3.49Å; D89-T514 PolarHBondContact OD2-N 2.93Å; D89-T514 VanDerWaalsContact OD2-N 3.15Å; S512-T514 PolarHBondContact O-N 3.42Å
515G28.6Very low28.4Very low23 Ų2375.7 Ų75.724%0.23742%0.423CS..SBendtrans157.958.3-178.200000117.5D89 I517D89-G515 PolarHBondContact OD2-N 2.97Å; G515-I517 VanDerWaalsContact C-N 3.29Å; G515-I517 PolarHBondContact O-N 3Å
516G26.9Very low27.9Very low19 Ų1981.9 Ų81.920%0.19646%0.46CS..SBendtrans68.4-9.1146.800000121M87M87-G516 CarbonylContact O-C 3.53Å
517I27.1Very low27.7Very low42 Ų4286.9 Ų86.922%0.21549%0.493CS..  trans-145.6125.3169.3-54.5-179.5000109.2L86 M87 M161 G515L86-I517 HydrophobicContact CD1-CD1 4.44Å; L86-I517 HydrophobicContact CD1-CG1 4.34Å; M87-I517 WeakPolarHBondContact O-CA 3.48Å; M161-I517 HydrophobicContact CB-CD1 4.35Å; G515-I517 VanDerWaalsContact C-N 3.29Å; G515-I517 PolarHBondContact O-N 3Å
518Y28Very low27.6Very low56 Ų5692.2 Ų92.222%0.2251%0.511CS..  trans-101.7143.1167.5-82.8-103.7000111.4D89 P120 K513D89-Y518 HydrophobicContact CB-CD2 4.39Å; D89-Y518 HydrophobicContact CB-CE2 3.77Å; D89-Y518 VanDerWaalsContact CG-CE2 3.47Å; D89-Y518 VanDerWaalsContact OD1-CE2 3.24Å; D89-Y518 WeakPolarHBondContact OD1-CE2 3.39Å; D89-Y518 PolarHBondContact OD1-OH 2.91Å; P120-Y518 HydrophobicContact CB-CD2 3.77Å; P120-Y518 HydrophobicContact CB-CG 3.84Å; P120-Y518 HydrophobicContact CG-CD2 4.49Å; P120-Y518 HydrophobicContact CG-CG 4.08Å; K513-Y518 VanDerWaalsContact CA-OH 3.3Å; K513-Y518 WeakPolarHBondContact CA-OH 3.39Å; K513-Y518 WeakPolarHBondContact CB-OH 3.26Å; K513-Y518 HydrophobicContact CG-CE1 4.28Å; K513-Y518 PolarHBondContact O-OH 3.45Å
519L27.8Very low27.3Very low67 Ų6793.6 Ų93.635%0.35152%0.523SS..  trans-108.4118.1166.4-62.2179.6000109.3V510V510-L519 HydrophobicContact CG1-CD1 3.72Å
520P27.4Very low27.1Very low90 Ų9098.3 Ų98.358%0.58455%0.545SS*.PPolyproline II helixtrans-65.8140.4161.429.4-32.1000109.1
521I27.7Very low27.1Very low109 Ų109102.8 Ų102.856%0.55956%0.561SS**PPolyproline II helixtrans-83.4121.2166.6-60.9171.5000106.9S523 R826I521-S523 PolarHBondContact O-N 2.86Å; I521-R826 PolarHBondContact O-NH1 2.95Å
522D29.3Very low27.1Very low137 Ų137101.4 Ų101.473%0.73355%0.554SS**PPolyproline II helixtrans-61.6120.7170.4-77.8-47.5000110.1S524D522-S524 PolarHBondContact O-N 2.77Å
523S24.4Very low27Very low102 Ų102108.5 Ų108.571%0.71358%0.583SS**SBendtrans-8655.4178.954.20000111I521I521-S523 PolarHBondContact O-N 2.86Å
524S24.8Very low26.8Very low90 Ų90109.2 Ų109.263%0.62959%0.588SS**  trans-153.363.7-178.259.90000112.3D522D522-S524 PolarHBondContact O-N 2.77Å
525D25.1Very low26.7Very low159 Ų159109.7 Ų109.785%0.8560%0.596SS**  trans-157.4112.4152.7-115.2-25.7000111.7
526T24.3Very low26.6Very low138 Ų138115.1 Ų115.185%0.84762%0.619SS**  trans-103.4107.1171.345.90000109.3R528T526-R528 PolarHBondContact O-N 2.83Å
527P27.5Very low26.7Very low120 Ų120120.2 Ų120.278%0.77965%0.646SS**  trans-78.1113.7-174.529.5-33.9000112.1
528R25.3Very low26.5Very low185 Ų185125.9 Ų125.970%0.69867%0.672SS**  trans54.7142.3150-67.8-174171.6-138-8.7120T526 E530T526-R528 PolarHBondContact O-N 2.83Å; R528-E530 IonicContact CZ-OE1 2.62Å; R528-E530 VanDerWaalsContact CZ-OE1 3.27Å; R528-E530 IonicContact CZ-OE2 2.59Å; R528-E530 IonicContact NE-OE2 2.69Å; R528-E530 IonicContact NH1-OE1 3.41Å; R528-E530 PolarHBondContact NH1-OE1 2.91Å; R528-E530 IonicContact NH1-OE2 3.3Å; R528-E530 PolarHBondContact NH1-OE2 3.07Å; R528-E530 IonicContact NH2-OE1 2.69Å
529N26.5Very low26.4Very low163 Ų163128.8 Ų128.887%0.87269%0.691SS**  -150.5129.5105.1-101-11.7000110.4
530E26.5Very low26.4Very low113 Ų113133.1 Ų133.153%0.52871%0.71SS.*  trans-67.9170.1156-62.4126.9139.200108.5R528R528-E530 IonicContact CZ-OE1 2.62Å; R528-E530 VanDerWaalsContact CZ-OE1 3.27Å; R528-E530 IonicContact CZ-OE2 2.59Å; R528-E530 IonicContact NE-OE2 2.69Å; R528-E530 IonicContact NH1-OE1 3.41Å; R528-E530 PolarHBondContact NH1-OE1 2.91Å; R528-E530 IonicContact NH1-OE2 3.3Å; R528-E530 PolarHBondContact NH1-OE2 3.07Å; R528-E530 IonicContact NH2-OE1 2.69Å
531E28.2Very low26.1Very low159 Ų159134.8 Ų134.874%0.74371%0.714SS**  cis-165.5179.724.8-159.5175.6-127.900110.8
532N26.3Very low25.9Very low107 Ų107138.4 Ų138.457%0.57273%0.728SS**  trans98.1129.5163.8-57.2-88.4000116.2
533K27.8Very low25.7Very low165 Ų165137.9 Ų137.972%0.71774%0.735SS**  cis-161.4151.5-2.8-129175.3177.4110.80115.1
534Q26Very low25.6Very low151 Ų151141.2 Ų141.271%0.70674%0.74SS**  trans41.4117.2148.9-117.871.61500122.3
535S26.1Very low25.7Very low109 Ų109143.5 Ų143.576%0.76275%0.745SS**  -175.7152.5118.9570000109.9
536D25Very low25.6Very low136 Ų136141.3 Ų141.373%0.72774%0.737SS**  cis-166.7171.3-26.5-95.2-36.4000108.1
537V29.7Very low25.6Very low127 Ų127142.2 Ų142.277%0.7774%0.736SS**  trans65.899.2162.2174.20000118.9
538E23.8Very low25.5Very low161 Ų161141.6 Ų141.675%0.75273%0.73SS**  59.1141.7110.9-108.5176.6-125.700124.9
539N25.8Very low25.5Very low117 Ų117141.1 Ų141.163%0.62673%0.733SS**  trans88.6110.3146.3-60.8-32.5000123.8
540Q26.2Very low25.3Very low158 Ų158144.6 Ų144.674%0.73873%0.734SS**  74.7112.9127.9-61.9-160.7-88.300123.6
541D22.9Very low25.3Very low125 Ų125143.8 Ų143.867%0.66873%0.734SS**  70.3124.8116.8-51.3-24.4000124
542E22.9Very low25.1Very low184 Ų184141.8 Ų141.886%0.8673%0.734SS**  trans47.4115.5143.7-58-165.6149.700122.2
543S24.4Very low25.1Very low126 Ų126141.3 Ų141.388%0.88173%0.731SS**  179.2-178.5100.9470000112.6
544Q23.6Very low25.1Very low172 Ų172138.6 Ų138.680%0.80472%0.721SS**  trans-101.8148.8-160.5-56.2176.9-1.900115
545N25.9Very low25.3Very low139 Ų139135.2 Ų135.274%0.74373%0.727SS**  177.9112.8128.8-99.4-63.2000110.1
546T22.8Very low25.4Very low112 Ų112133.3 Ų133.369%0.68771%0.708SS**  79.1154.388.561.90000115.8
547L24Very low25.5Very low158 Ų158132.8 Ų132.883%0.82770%0.7SS**  trans67.7138-175-9562.2000116.3
548T26.4Very low25.4Very low107 Ų107135.4 Ų135.466%0.65670%0.696SS**  cis-148143.1-10.6-25.30000113.2
549K23.8Very low25.5Very low174 Ų174133.3 Ų133.376%0.75770%0.696SS**  trans-57.6125.9165.3172.8-171.6179.4-174.40112.4
550W22.9Very low25.5Very low236 Ų236135.2 Ų135.289%0.89471%0.706SS**  trans-135.3128.6159.9-84.890000109.4
551N26.4Very low25.5Very low96 Ų96133.6 Ų133.651%0.51371%0.707SS.*  trans-14788.5-173.2-172.436.1000110.7L553N551-L553 VanDerWaalsContact C-N 3.27Å; N551-L553 PolarHBondContact O-N 2.92Å
552P25.6Very low25.7Very low117 Ų117133.6 Ų133.676%0.7671%0.711SS**THydrogen-bonded Turntrans-85.453.7-167.136-37.4000113.1
553L26Very low25.8Very low97 Ų97131.9 Ų131.951%0.50871%0.708SS.*THydrogen-bonded Turntrans-139-5.8-176-89.1175.8000116.8F80 N551 G555F80-L553 HydrophobicContact CE1-CD2 4Å; F80-L553 HydrophobicContact CZ-CD2 4.35Å; N551-L553 VanDerWaalsContact C-N 3.27Å; N551-L553 PolarHBondContact O-N 2.92Å; L553-G555 PolarHBondContact O-N 2.89Å
554E27.5Very low25.8Very low108 Ų108135.1 Ų135.151%0.50571%0.709SS.*THydrogen-bonded Turntrans-782.3-179.9-67.6-161.384.400114.7R558E554-R558 IonicContact OE1-CZ 3.42Å; E554-R558 IonicContact OE1-NE 3.31Å; E554-R558 PolarHBondContact OE1-NE 3.09Å; E554-R558 IonicContact OE1-NH2 2.7Å; E554-R558 PolarHBondContact OE1-NH2 3.05Å
555G29.5Very low26Very low81 Ų81132.2 Ų132.284%0.83571%0.708SS**THydrogen-bonded Turntrans-84.4-16.8-175.400000116.7L553L553-G555 PolarHBondContact O-N 2.89Å
556L28.1Very low25.9Very low68 Ų68132.3 Ų132.336%0.35671%0.714SS.*SBendtrans-116-12.5-171-78.3167.8000115.2
557F28.3Very low26Very low126 Ų126135.9 Ų135.955%0.55372%0.722SS**  trans-14172.2-171.1-64.4-73.2000113.7I61I61-F557 WeakPolarHBondContact O-CE1 3.46Å; I61-F557 WeakPolarHBondContact O-CZ 3.3Å
558R26Very low26.1Very low182 Ų182133.8 Ų133.869%0.68772%0.716SS**  trans-139.3138.9158-75.4-169.4178.5-132.76.5110.6E554 N560E554-R558 IonicContact OE1-CZ 3.42Å; E554-R558 IonicContact OE1-NE 3.31Å; E554-R558 PolarHBondContact OE1-NE 3.09Å; E554-R558 IonicContact OE1-NH2 2.7Å; E554-R558 PolarHBondContact OE1-NH2 3.05Å; R558-N560 PolarHBondContact O-N 3.06Å
559P26.3Very low25.9Very low117 Ų117137.4 Ų137.476%0.7672%0.723SS**  trans-76.5121.7174.430.7-32.5000110.5V561P559-V561 VanDerWaalsContact C-N 3.34Å; P559-V561 PolarHBondContact O-N 2.92Å
560N27.1Very low26Very low156 Ų156136 Ų13683%0.83472%0.722SS**  trans-7485.2174-85.7-20.4000111.4R558 V562R558-N560 PolarHBondContact O-N 3.06Å; N560-V562 PolarHBondContact O-N 3.2Å
561V25.1Very low26.2Very low124 Ų124132 Ų13275%0.75272%0.718SS**  trans-75.699.1156.7178.50000107.5P559 N563P559-V561 VanDerWaalsContact C-N 3.34Å; P559-V561 PolarHBondContact O-N 2.92Å; V561-N563 HydrophobicContact CG1-CB 4.49Å; V561-N563 PolarHBondContact O-N 2.84Å
562V27.8Very low26.2Very low126 Ų126133.3 Ų133.376%0.76473%0.729SS**  trans-82.1105.1171.1179.60000108.1N560N560-V562 PolarHBondContact O-N 3.2Å
563N23.8Very low26.3Very low148 Ų148133.8 Ų133.879%0.79173%0.733SS**  trans-161.867.5170.5-119.92.8000112.9V561V561-N563 HydrophobicContact CG1-CB 4.49Å; V561-N563 PolarHBondContact O-N 2.84Å
564E26Very low26.2Very low193 Ų193133.6 Ų133.690%0.90274%0.739SS**  trans-136151.7160.3-68.6-171164.100107.8
565S27.6Very low26Very low112 Ų112134.3 Ų134.378%0.78375%0.751SS**  cis-136.2170.78.757.40000112.4
566T22.7Very low25.8Very low141 Ų141138.4 Ų138.487%0.86575%0.749SS**  trans-139.8123.8171.8-57.20000108.8
567E25.1Very low25.7Very low186 Ų186139.9 Ų139.987%0.86976%0.757SS**  trans174.9147.4163.5-104.2-179.8-159.400107.1
568V26.6Very low25.5Very low114 Ų114141.9 Ų141.969%0.69177%0.768SS**  cis-150.5173.8-6.894.40000109.8
569F22.5Very low25.6Very low184 Ų184139.5 Ų139.581%0.80777%0.773SS**  trans-42.1163.9173.6-64.2-101.1000114.6
570I26.1Very low25.7Very low144 Ų144137.6 Ų137.674%0.73877%0.768SS**  cis-160.6127.449.1-63161.5000111.4
571N26.4Very low25.8Very low151 Ų151138.1 Ų138.181%0.80777%0.765SS**  170.5133.4124-97.5-51.5000113
572V25.8Very low26Very low124 Ų124137.2 Ų137.275%0.75276%0.76SS**  trans-125.7139.8165.2171.10000106.9
573P27.9Very low25.8Very low128 Ų128139.4 Ų139.483%0.83176%0.762SS**  trans-109.9142149.333.7-26.2000110.3
574S23.4Very low25.8Very low92 Ų92138 Ų13864%0.64376%0.762SS**  trans-123.8148.5-167.357.30000113.3
575T24.3Very low26Very low124 Ų124133.9 Ų133.976%0.76176%0.761SS**  trans66.8154.1149.149.30000120.4
576E25.7Very low25.8Very low166 Ų166135 Ų13578%0.77676%0.758SS**  trans78.3142.6162-49.4-142.2139.500118.6
577N24.8Very low26Very low100 Ų100135.2 Ų135.254%0.53575%0.749SS.*  cis-165150.2-21.8-108.6-25.4000112.1
578H25.8Very low26.1Very low168 Ų168137.7 Ų137.778%0.77875%0.75SS**  trans61.5172.1163.1-49.2-44.8000116.7
579V27.4Very low26Very low131 Ų131135.3 Ų135.379%0.79475%0.749SS**  cis-144.2157.313-1670000110.2
580A28.6Very low26.1Very low78 Ų78131.2 Ų131.265%0.64574%0.744SS**  trans71.5146.7155.100000120
581E28.8Very low26.1Very low167 Ų167132.8 Ų132.878%0.7875%0.748SS**  cis-160.9153.3-15.5-123.7154.9-144.300114.3
582T28.5Very low26.1Very low105 Ų105130.8 Ų130.864%0.64474%0.741SS**  trans36.9109.7152.250.70000123.8
583E24.3Very low26Very low171 Ų171132.8 Ų132.880%0.79974%0.744SS**  60.8139.2103-68.7-175.915100124.5
584C23.4Very low25.8Very low118 Ų118130.3 Ų130.380%0.79773%0.73SS**  trans54.8119.6140.2-65.20000121.8
585A29.7Very low26Very low107 Ų107136.3 Ų136.388%0.88474%0.74SS**  -171.4141.4101.500000113.9
586D23.5Very low26Very low136 Ų136140 Ų14073%0.72774%0.741SS**  trans-84.7176.4-171.1-152.1-32000114.1
587H26.6Very low26.2Very low146 Ų146138 Ų13868%0.67674%0.742SS**  trans96.9143.4147.6-68.8-3.6000123.8
588R28.1Very low26.1Very low237 Ų237138.8 Ų138.889%0.89475%0.751SS**  trans74131.6159.5-74167.3-161.6-140.14.5116.1
589G25.2Very low26.1Very low64 Ų64135.9 Ų135.966%0.6675%0.745SS**  cis81.4136.88.700000112.6
590S24.8Very low25.9Very low99 Ų99135.4 Ų135.469%0.69274%0.737SS**  cis-158.5-176.91.7-67.40000107.8
591E25.9Very low25.9Very low176 Ų176141.7 Ų141.782%0.82275%0.746SS**  trans69.1161.5149.9-74.8159.3-127.500119.2
592V25.2Very low25.6Very low109 Ų109140.8 Ų140.866%0.66174%0.742SS**  cis-166.3154.9-44.4106.10000109.3
593M23.4Very low25.4Very low166 Ų166146.2 Ų146.282%0.81875%0.752SS**  trans66.3161.5164.4-90.8152.546.200116.6
594S23.9Very low26Very low77 Ų77142.4 Ų142.454%0.53874%0.742SS.*  cis-161176.92.928.90000113
595Y27.2Very low26.2Very low217 Ų217143.7 Ų143.785%0.85174%0.741SS**  trans90108.2158.7-63.7-69000120.5
596Y24.3Very low25.9Very low203 Ų203143.8 Ų143.880%0.79673%0.73SS**  trans-60.2167.5149.8-84.6-98.5000111.6
597P30.5Very low26.2Very low123 Ų123143 Ų14380%0.79973%0.731SS**  -126.1161.2105.937.2-34.9000115.4
598V23.6Very low26.4Very low117 Ų117145 Ų14571%0.70974%0.74SS**  trans-114.9179.9163.7-1130000107.1
599V26Very low26.3Very low107 Ų107137.2 Ų137.265%0.64874%0.735SS**  cis-153.7170.129.7-136.40000110
600D23.4Very low26.3Very low120 Ų120141.7 Ų141.764%0.64274%0.743SS**  trans51.2129.7146.9-58.1-26.4000122.3
601Y26.7Very low26.4Very low211 Ų211144 Ų14483%0.82775%0.746SS**  166.5107.7111.7-89-73.9000106.2
602Q24.3Very low26.5Very low147 Ų147142.6 Ų142.669%0.68774%0.744SS**  88.694.754.5-168.9179.47.100113.9
603Y23.5Very low26.4Very low220 Ų220143.7 Ų143.786%0.86375%0.746SS**  trans76172.3148-91.5-56.3000119.4
604P36Very low26.5Very low90 Ų90140.5 Ų140.558%0.58474%0.739SS**  -122.3-174.1-128.546.4-32.9000114.6
605N28.7Very low26.7Very low145 Ų145145.1 Ų145.178%0.77575%0.749SS**  -175.5126.7128.6-84.3-25.4000107.3
606T24.1Very low26.7Very low109 Ų109141.1 Ų141.167%0.66974%0.741SS**  66.1102.656710000115.7
607T29.7Very low27.2Very low121 Ų121138.9 Ų138.974%0.74274%0.742SS**  trans-166.7130.7130.122.60000107.8
608Q29Very low27.1Very low186 Ų186139.5 Ų139.587%0.86974%0.739SS**  52.1124.293-57177.3-1.200113.9
609G27.4Very low27.6Very low75 Ų75140.3 Ų140.377%0.77374%0.744SS**  cis175.2-177.6-5.400000114.1
610N25Very low28Very low157 Ų157141.8 Ų141.884%0.8475%0.748SS**  trans3.2156.1152.6-74.5-11000122.1
611I26.9Very low28.4Very low147 Ų147141.1 Ų141.175%0.75475%0.752SS**  trans99.1117.1152.4-71.4149.7000118.8
612L27.5Very low28.5Very low147 Ų147136 Ų13677%0.7775%0.753SS**  trans61116.2156.2-64.8167.1000119.9
613N23.9Very low28.7Very low133 Ų133137.7 Ų137.771%0.71176%0.761SS**  79.5138.467.4-166.311.4000114.9
614C24.9Very low29.1Very low98 Ų98133.4 Ų133.466%0.66276%0.758SS**  trans70.1143.4173.1-71.80000117.1
615K28.1Very low28.8Very low175 Ų175134.2 Ų134.276%0.76176%0.761SS**  cis-156.3140.912.3-110.4155.8-179.1-179.50110.4
616I27.7Very low29.1Very low132 Ų132133 Ų13368%0.67776%0.759SS**  6012296.9-53.3-176.6000117.1
617L33.5Very low29.6Very low156 Ų156136.1 Ų136.182%0.81776%0.763SS**  trans163.1114.3130.9-85.2172.4000107.8
618N28.7Very low29.7Very low137 Ų137136.2 Ų136.273%0.73376%0.764SS**  88.416156.2-83.815000114.9
619V35.4Very low30Very low134 Ų134135.2 Ų135.281%0.81276%0.757SS**  trans85.1128.3176.6-176.50000114.2
620D34.1Very low30.2Very low138 Ų138136.2 Ų136.274%0.73875%0.752SS**  cis-152.6168-12-130.9-34.6000116
621S30.6Very low30.7Very low105 Ų105135.1 Ų135.173%0.73474%0.742SS**  trans-42160.5172-50.50000121.8
622A30.2Very low30.9Very low103 Ų103132.2 Ų132.285%0.85173%0.734SS**  139134.5124.200000117.7
623H28.3Very low31Very low183 Ų183132.3 Ų132.385%0.84773%0.734SS**  trans-83.2171.2169.4-68.6-88.8000113.1
624V31.5Very low31.1Very low131 Ų131133.2 Ų133.279%0.79473%0.732SS**  -171104.7126.3133.50000110.9
625T30.1Very low31.3Very low107 Ų107135.5 Ų135.566%0.65673%0.733SS**  59.7138101.172.50000117.8
626T34.2Very low31.2Very low119 Ų119138.3 Ų138.373%0.7374%0.739SS**  -175.2165.48933.20000110.4
627K34.3Very low32Very low174 Ų174137 Ų13776%0.75774%0.739SS**  cis-158.8135.713-129.3158.6-175.3174.10112.3
628T33.1Very low31.8Very low123 Ų123135.8 Ų135.876%0.75574%0.737SS**  trans41.2145.3136.958.70000122.7
629K33.7Very low32Very low165 Ų165134.7 Ų134.772%0.71774%0.736SS**  cis-152.9-164.810.9-131.1-168.9-166-161.80108.6
630S33.5Very low31.8Very low97 Ų97136 Ų13668%0.67873%0.733SS**  cis-145.7178.110.9-91.80000108.2
631Q35.5Very low31.5Very low133 Ų133137.7 Ų137.762%0.62174%0.737SS**  cis80.2135.924.9-56.9-162.2-78.700116.5
632C30.1Very low31.5Very low87 Ų87139.4 Ų139.459%0.58873%0.733SS**  cis-161.7149.1-8.1-109.80000113.3
633L29.2Very low31.4Very low148 Ų148142.6 Ų142.678%0.77573%0.73SS**  trans41.8152132.3-53.1172.9000121.1
634K26.5Very low31.3Very low152 Ų152138.5 Ų138.566%0.66173%0.728SS**  cis-171.1171.710.8-132.6168.3158.2-141.10112.6
635E28.7Very low31.7Very low146 Ų146137.6 Ų137.668%0.68273%0.725SS**  trans67.8161151.6-76.3153.8-151.200121.4
636R27Very low31.6Very low235 Ų235142.7 Ų142.789%0.88773%0.734SS**  -158.1-177.1-55.7-114.1-154.9170.6178.8-2.8110.8
637P44Very low31.1Very low105 Ų105141.3 Ų141.368%0.68273%0.729SS**  trans-114.6-166.8-150.446.8-38.2000115.2
638V29.8Very low30.7Very low130 Ų130137.5 Ų137.579%0.78872%0.724SS**  trans169.5137.1148.2144.10000108.7
639T32.1Very low30.5Very low113 Ų113139.8 Ų139.869%0.69373%0.726SS**  cis-111.6-99.9-2.3-31.50000115.2
640E31Very low30.2Very low162 Ų162137.4 Ų137.476%0.75773%0.726SS**  cis-162.1-178.32.5-131.6121.4-7700113.4
641E29.3Very low30Very low174 Ų174139.6 Ų139.681%0.81373%0.728SS**  trans-118.7165-161.1-69.8-179.5156.400113.7
642E29.7Very low29.8Very low141 Ų141141.4 Ų141.466%0.65974%0.736SS**  cis-160.2165.6-5.9-125.5-156.1143.200113.4
643Q28.7Very low29.8Very low170 Ų170140.9 Ų140.979%0.79473%0.733SS**  trans59.6-179.7149.6-72.6-172.439.600122.7
644A25Very low30Very low96 Ų96142.6 Ų142.679%0.79373%0.734SS**  trans-132.3-133.7-162.900000114.9
645P40.6Very low30.1Very low113 Ų113140 Ų14073%0.73474%0.735SS**  -114.4175.1-129.634.8-16.7000117.3
646Y27.1Very low30.2Very low214 Ų214140.7 Ų140.784%0.83974%0.736SS**  trans118.6111.5161.5-89-93.5000119.8
647S24.9Very low30.4Very low90 Ų90138.7 Ų138.763%0.62973%0.729SS**  trans46.5120.4134.868.60000125
648S24.8Very low29.8Very low93 Ų93140 Ų14065%0.6573%0.726SS**  65.5122.8127.469.30000123.1
649Q30.1Very low29.7Very low171 Ų171140.2 Ų140.280%0.79972%0.722SS**  -175.5145104.3-91.8166.957.600108.8
650T26.5Very low29.6Very low116 Ų116146.2 Ų146.271%0.71273%0.732SS**  cis105.5153.735.6-51.10000111.3
651I29.8Very low29.6Very low142 Ų142142.7 Ų142.773%0.72873%0.726SS**  trans81.9131.2170.2-54.2-174.7000114.5
652H30Very low29.7Very low172 Ų172142.3 Ų142.380%0.79673%0.728SS**  cis-154.8172.4-7.4-125.916.5000107.8
653S31.9Very low29.7Very low75 Ų75139.5 Ų139.552%0.52472%0.724SS.*  cis-153.2-143.8-1.546.80000106.6
654K31.6Very low29.8Very low184 Ų184139.7 Ų139.780%0.873%0.725SS**  cis-165161.3-3.4-119.4157.3-155.3167.40102.5
655S29.7Very low29.8Very low97 Ų97142.1 Ų142.168%0.67872%0.724SS**  cis-164.6-153.6-2.542.50000105.6
656F30.6Very low29.1Very low161 Ų161147.7 Ų147.771%0.70673%0.731SS**  cis-162.5129.54.1-156.8-80.5000108.6
657R30.9Very low29.2Very low194 Ų194145.6 Ų145.673%0.73273%0.73SS**  trans62.1150.1-178.2-68.1168.9-161-115.910.2116.2
658H31.8Very low29.1Very low133 Ų133149.1 Ų149.162%0.61674%0.741SS**  cis-154125.1-9.8-104.4-40.7000105
659N27.6Very low29.5Very low133 Ų133149.6 Ų149.671%0.71174%0.743SS**  110.9135.468.1-106.55.8000112
660R30.4Very low29.2Very low239 Ų239146.8 Ų146.890%0.90274%0.737SS**  trans71.1146.8172-60.7-178.5-179.7-179.1-0.1117.2
661S30.3Very low29.3Very low89 Ų89151.3 Ų151.362%0.62274%0.743SS**  cis-175.7137.7-22.450.20000111.5
662L31.9Very low29.1Very low166 Ų166149.6 Ų149.687%0.86974%0.743SS**  trans61.3156.2153.2-60.4165.9000117.8
663S30.4Very low29Very low81 Ų81147 Ų14757%0.56675%0.745SS**  cis-170.3149.1-23.351.30000110.1
664H29.3Very low28.8Very low175 Ų175147.3 Ų147.381%0.8175%0.746SS**  trans68.5142.9170.1-57.3-57.3000116.4
665N25.4Very low28.7Very low147 Ų147148 Ų14879%0.78675%0.752SS**  cis64.68227.3-75.1-15.8000116.3
666R26.9Very low28.7Very low230 Ų230149.6 Ų149.687%0.86875%0.749SS**  179.1147.8117.1-101.1172.7179.61661.3115.7
667M29.1Very low28.5Very low169 Ų169149.9 Ų149.983%0.83375%0.75SS**  trans72.1133139.8-68169.290.400122.5
668L22.5Very low28.3Very low164 Ų164145.5 Ų145.586%0.85975%0.749SS**  trans-57.2172156-81.6161.7000112.4
669P32.4Very low28Very low104 Ų104147.7 Ų147.768%0.67576%0.76SS**  -107.4-168.3-129.240.1-39.4000116.7
670T23.9Very low27.9Very low112 Ų112147.4 Ų147.469%0.68776%0.763SS**  trans106.815415864.70000119.2
671Y28.4Very low27.6Very low211 Ų211146.1 Ų146.183%0.82776%0.759SS**  trans72.6144175.1-56.7-81.6000118.4
672S25.4Very low27.4Very low105 Ų105148.3 Ų148.373%0.73476%0.764SS**  -173.3132.2-54.9450000109.8
673S28.8Very low26.9Very low119 Ų119150.7 Ų150.783%0.83276%0.763SS**  trans-131.5147157.654.60000110.1
674S28.4Very low26.6Very low80 Ų80156.2 Ų156.256%0.55978%0.777SS**SBendtrans-76.9154.2174.445.70000111.1H676S674-H676 WeakPolarHBondContact CB-CE1 3.25Å; S674-H676 WeakPolarHBondContact CB-ND1 3.47Å
675Q29Very low26.9Very low198 Ų198155.4 Ų155.493%0.92578%0.779SS**SBendcis-80.995.424.5-61.9156.1-11.900112.9
676H28.5Very low27.2Very low131 Ų131153 Ų15361%0.60677%0.771SS**  60.212296.4-73.2-23.8000114.2S674S674-H676 WeakPolarHBondContact CB-CE1 3.25Å; S674-H676 WeakPolarHBondContact CB-ND1 3.47Å
677K27.2Very low27.3Very low168 Ų168147.1 Ų147.173%0.7377%0.765SS**  cis-167.3137.52.7-116.5161.8-179.8172.60108.8
678S25.8Very low27.1Very low102 Ų102150.7 Ų150.771%0.71377%0.77SS**  trans42.9146.2149.752.80000121.9
679Q26.9Very low27.3Very low179 Ų179154.6 Ų154.684%0.83677%0.773SS**  cis-166.81710.7-118.5169-2200111.9
680T24.6Very low27.3Very low126 Ų126155.1 Ų155.177%0.77378%0.779SS**  trans-3.5168.7164.32.10000125.9
681Y23.8Very low27.6Very low213 Ų213152.5 Ų152.584%0.83577%0.774SS**SBendtrans-55.1161.5163.3-110.8-91.3000114.4
682D27.5Very low27.5Very low134 Ų134152.9 Ų152.972%0.71778%0.776SS**SBendtrans-2.5156.5169.7-70.9-48.8000123.7
683Y21.6Very low27.7Very low217 Ų217152.4 Ų152.485%0.85177%0.773SS**  trans71.490.5176.4-74-90.5000117.1
684F23.7Very low27.7Very low196 Ų196153.9 Ų153.986%0.8677%0.771SS**  -166.9110.3109-107.8-73.5000112.4
685N36.1Very low27.8Very low158 Ų158154.5 Ų154.585%0.84578%0.775SS**  trans-78134.3145.5-111.1-56.8000106.1
686P30.2Very low27.7Very low97 Ų97152.1 Ų152.163%0.6377%0.769SS**  -158.2-162.989.341.8-21.3000115.2
687S28.9Very low27.8Very low106 Ų106153.5 Ų153.574%0.74178%0.78SS**  trans59.5104.1172.450.60000115.4
688R25Very low27.6Very low245 Ų245151.9 Ų151.993%0.92578%0.779SS**  cis59.191.324.9-68.8-168.4177.6-158.91.7116.2
689R28Very low27.5Very low246 Ų246152.4 Ų152.493%0.92878%0.778SS**  trans179.4145.8131.7-102.1175.2176.2-164.5-2.6108.7
690S31.3Very low27.4Very low114 Ų114148.5 Ų148.580%0.79777%0.766SS**SBendcis-98.1156.7-9.5-163.10000109.7
691G29.5Very low27.7Very low57 Ų57152 Ų15259%0.58877%0.767SS**  cis96.2134.319.600000109.7
692Y28Very low28Very low219 Ų219150.4 Ų150.486%0.85976%0.761SS**  cis-162.8169.29.4-122.8-94000107.3
693S28.1Very low27.9Very low96 Ų96149.4 Ų149.467%0.67176%0.755SS**  trans61.7152.1164.538.40000118
694D30.3Very low28.3Very low150 Ų150148.8 Ų148.880%0.80275%0.751SS**  cis-158.5168.9-12.9-101.7-20.7000111.8
695S30.2Very low28.4Very low93 Ų93145.9 Ų145.965%0.6575%0.745SS**  trans51108.8149.467.60000122.4
696D27.4Very low28Very low147 Ų147144.4 Ų144.479%0.78674%0.737SS**  61.1163.1109.3-58.3-40.5000124.7
697L29.3Very low28Very low160 Ų160145.8 Ų145.884%0.83874%0.738SS**  trans73.4126.2166.2-63.5143.9000115.7
698N23.2Very low27.9Very low135 Ų135148.6 Ų148.672%0.72274%0.739SS**  cis77.69326.3-14412.1000114.7
699T23.9Very low28.1Very low112 Ų112148.1 Ų148.169%0.68774%0.739SS**  trans72.3149.7143.5-46.50000119.4
700V25.2Very low28.2Very low97 Ų97141 Ų14159%0.58873%0.727SS**  trans68122.3175.7-141.30000112Y702V700-Y702 HydrophobicContact CG1-CD2 4.12Å; V700-Y702 HydrophobicContact CG1-CE2 4.22Å
701Y29.9Very low28Very low200 Ų200140.4 Ų140.478%0.78472%0.723SS**  -149.2140.257.3-100.6-100.2000114.5
702Y30.5Very low28.2Very low179 Ų179144.4 Ų144.470%0.70274%0.736SS**  37.1151.2128.8-76.7-114.7000121.9V700V700-Y702 HydrophobicContact CG1-CD2 4.12Å; V700-Y702 HydrophobicContact CG1-CE2 4.22Å
703N25.8Very low28.2Very low113 Ų113140.8 Ų140.860%0.60473%0.731SS**  cis179.7171.2-23-151.2-31.2000107.1
704R29.7Very low28.3Very low205 Ų205141.7 Ų141.777%0.77474%0.737SS**  trans58.5117.9158.7-72.7175.9172.9159.9-3.4117.2
705N26.9Very low28.2Very low135 Ų135139.4 Ų139.472%0.72273%0.732SS**  73.612664.4-67.712.9000114.5
706N27.4Very low28.3Very low127 Ų127139.8 Ų139.868%0.67974%0.735SS**  trans91.7116.4134.9-74.217.8000121.3
707I30.2Very low28.5Very low126 Ų126138.1 Ų138.165%0.64674%0.735SS**  88108.9124.8-67.6171.7000117.1
708E25.5Very low28.7Very low164 Ų164135.2 Ų135.277%0.76673%0.728SS**  trans42122.2133.4-52.6172.5155.800119
709Y30.1Very low29.1Very low235 Ų235137.2 Ų137.292%0.92273%0.733SS**  -143.7172.5119.6-111.4-74.5000111.2
710S29.5Very low29.6Very low96 Ų96139.8 Ų139.867%0.67174%0.737SS**  trans-85.1159.3-158.451.80000116.2
711S27.9Very low29.9Very low103 Ų103139.7 Ų139.772%0.7274%0.741SS**  trans-47.1150.1162.150.70000116.2
712T33.2Very low30Very low140 Ų140135.7 Ų135.786%0.85974%0.738SS**  trans-151.7159.9148.10.50000110.4
713D29Very low30.1Very low143 Ų143135.6 Ų135.677%0.76574%0.743SS**  trans-102.4172-155.5-58-83000117.6
714C29.3Very low30.5Very low116 Ų116133.8 Ų133.878%0.78474%0.744SS**  trans84.5104.7142.1-83.80000123.5
715S29.1Very low30.7Very low101 Ų101132.2 Ų132.271%0.70675%0.75SS**  114.7132108-65.70000122.2
716S30.4Very low30.9Very low101 Ų101128.7 Ų128.771%0.70675%0.746SS**  trans52.8112.114651.20000120.5
717S32.2Very low31.1Very low113 Ų113130.4 Ų130.479%0.7975%0.75SS**  76.9144.573.876.20000114.6
718S33.3Very low31.1Very low98 Ų98127.5 Ų127.569%0.68575%0.751SS**  cis-159.7-173.12445.60000114.1
719E32.1Very low31.4Very low177 Ų177126 Ų12683%0.82775%0.747SS**  trans82.5153.4163.1-62.5176.4-162.600120.4
720Q34.5Very low31.4Very low166 Ų166123.3 Ų123.378%0.77674%0.736SS**  cis-165.9158.2-45.6-146.2177.720.700111.8
721S30.9Very low31.4Very low96 Ų96124.1 Ų124.167%0.67173%0.733SS**  trans64167.6149.157.10000120.4
722T32.9Very low31.4Very low116 Ų116125 Ų12571%0.71273%0.729SS**  cis-169.5170.5-38.244.20000105.3
723E31.5Very low31.1Very low176 Ų176128.4 Ų128.482%0.82273%0.728SS**  cis-163.4176.4-19.3-111.4-177.784.200106.4
724A35.8Very low30.9Very low76 Ų76126.4 Ų126.463%0.62873%0.725SS**  cis-130.7-122.8-1.800000107.1
725L32.6Very low30.7Very low172 Ų172126.2 Ų126.290%0.90173%0.725SS**  cis-155.4157.8-11.4-117.3179.2000103.1
726G32Very low30.7Very low61 Ų61130 Ų13063%0.62973%0.731SS**  cis145147.72.900000110
727E30.9Very low30.8Very low162 Ų162135 Ų13576%0.75774%0.74SS**  cis-77.1-129.3-5.5-60.5-177.764.500111I729E727-I729 HydrophobicContact CB-CG1 4.29Å
728G31.3Very low30.6Very low65 Ų65138.3 Ų138.367%0.6774%0.735SS**  cis155165.82.200000111.8
729I32.1Very low30.5Very low132 Ų132142.9 Ų142.968%0.67775%0.746SS**SBendcis-144.1125-14.6-63.4-175000104.3E727E727-I729 HydrophobicContact CB-CG1 4.29Å
730Y29.3Very low30.3Very low180 Ų180137.6 Ų137.671%0.70674%0.738SS**  cis-135.8150.1-2-121.6-150.1000106.3
731L28.5Very low30.1Very low113 Ų113137.8 Ų137.859%0.59274%0.739SS**  52.314073.5-48-173.3000113.7
732N28.1Very low29.8Very low121 Ų121138.3 Ų138.365%0.64774%0.741SS**  cis-155.6149.6-7.1-106-17000108.3
733Y26.6Very low29.8Very low212 Ų212136.6 Ų136.683%0.83173%0.732SS**  55.6129.283-88-80.7000118.7
734S25.4Very low29.4Very low100 Ų100132.3 Ų132.370%0.69972%0.718SS**  trans63.1114.414959.90000124.3
735S26Very low28.9Very low112 Ų112137.6 Ų137.678%0.78373%0.727SS**  72.3123.3118.2-58.60000125.3
736Q27.8Very low28.7Very low181 Ų181134.2 Ų134.285%0.84672%0.724SS**  trans70.2101.1145.6-64-171.311.500123
737K33.9Very low28.6Very low207 Ų207138.4 Ų138.490%0.973%0.732SS**  -172.2170104.8-101.2171.8-178.4175.20111
738R27.3Very low28.4Very low181 Ų181137.7 Ų137.768%0.68373%0.733SS**  trans-123.1149.5-171.9-67.8-179.5177171.10.1112.7
739H31Very low28Very low195 Ų195138.9 Ų138.990%0.90374%0.737SS**  178.4135.3122.2-99.6-77.4000108.9
740G28.5Very low27.8Very low65 Ų65141.4 Ų141.467%0.6775%0.746SS**SBendcis-137.5179.3-1300000110
741H29.2Very low27.7Very low171 Ų171137.3 Ų137.379%0.79274%0.743SS**  cis-139140.79.6-108.1-70.3000111.9
742C26.1Very low27.7Very low107 Ų107141.6 Ų141.672%0.72375%0.752SS**  trans61.7148.8145.1-68.50000121.4
743P31.7Very low27.8Very low79 Ų79146 Ų14651%0.51376%0.759SS.*  -149.1168.9-124.441.7-20.3000119.6
744T24Very low28Very low86 Ų86141.3 Ų141.353%0.52875%0.753SS.*  trans73.4150.9136.642.20000124.3
745F25.2Very low28.1Very low188 Ų188141.7 Ų141.783%0.82576%0.755SS**  trans70.3121.8149-67.8-53.3000120.7
746A28.9Very low28.5Very low100 Ų100141.8 Ų141.883%0.82675%0.752SS**  trans-142.294.9137.900000108.8
747N29.8Very low28.6Very low149 Ų149140.9 Ų140.980%0.79775%0.748SS**  trans-159.2148156.6-122.6-9.8000110.8
748N24.8Very low28.6Very low147 Ų147138.2 Ų138.279%0.78674%0.743SS**  trans62.597.1176.4-66.6-3.4000118.9
749A24.3Very low29Very low91 Ų91132.9 Ų132.975%0.75274%0.744SS**  82.6157.411900000121.4
750Q27.8Very low29Very low185 Ų185129.7 Ų129.786%0.86474%0.739SS**  trans60.496.2161.7-75171.2-39.900119.7
751S27.4Very low29.2Very low93 Ų93136.9 Ų136.965%0.6575%0.745SS**  85.397.5110.1-1750000120
752R27.6Very low29.3Very low204 Ų204137.2 Ų137.277%0.7775%0.745SS**  69.9143.8127-68.3177.1165.1172.7-3.6119.9
753R29.9Very low29.4Very low212 Ų212138.9 Ų138.980%0.875%0.746SS**  trans74.6141.1147.8-78167.1177.8-174.6-3.1116.4
754T30.7Very low29.3Very low115 Ų115144.1 Ų144.171%0.70676%0.757SS**  cis-164.3158.7-12.34.40000110.4
755S28.6Very low29.4Very low107 Ų107146.7 Ų146.775%0.74877%0.767SS**  trans59.1147.9152.756.70000118.2
756T34.1Very low29.5Very low115 Ų115145.7 Ų145.771%0.70676%0.758SS**  cis-127.4142.917.339.80000110.7
757Q30.9Very low29.4Very low162 Ų162145 Ų14576%0.75774%0.738SS**  46.9126.788.6-72.9-176.1-12.200113.5
758N32.4Very low29.2Very low151 Ų151146 Ų14681%0.80773%0.73SS**  cis-145.3163.26.7-76.2-47.2000110.1
759G36.4Very low29.5Very low69 Ų69144.9 Ų144.971%0.71173%0.734SS**  cis177.9-147.71.100000114.1
760T31.7Very low29.8Very low127 Ų127150 Ų15078%0.77974%0.739SS**  trans-27.8152.4169.848.10000118
761R32.1Very low29.9Very low216 Ų216152.5 Ų152.582%0.81574%0.741SS**  cis-163.3159.613.6-121.4164.8-174.4-175.32110.2
762K31.6Very low30Very low178 Ų178158.3 Ų158.377%0.77475%0.748SS**  trans27.4117.7151.2-64.4-176.1178.4-172.60119.1
763L27.1Very low30.1Very low143 Ų143154.7 Ų154.775%0.74974%0.74SS**  60.7134.292.4-62.5172.4000114.4
764Y29.2Very low30.1Very low189 Ų189155.4 Ų155.474%0.74174%0.743SS**  cis-149.2156.118-127.5-67.4000112.8
765N28.2Very low30.2Very low139 Ų139155.8 Ų155.874%0.74374%0.741SS**  trans-12.6138.1172.3-59.3-9.9000121.7
766R25.8Very low30.3Very low167 Ų167157.7 Ų157.763%0.6374%0.741SS**  -155.6143.4124.8-116.9-173.1-172.7-173.2-3.3115.5T248T248-R766 VanDerWaalsContact OG1-CZ 3.27Å; T248-R766 PolarHBondContact OG1-NH1 3.43Å; T248-R766 PolarHBondContact OG1-NH2 2.86Å
767E26.8Very low30.4Very low86 Ų86157.5 Ų157.540%0.40274%0.742SS.*  trans71.2138.8144.1-84.1-161.910900126.7T248T248-E767 VanDerWaalsContact CG2-CD 3.42Å; T248-E767 HydrophobicContact CG2-CG 4.14Å; T248-E767 WeakPolarHBondContact CG2-OE2 3.32Å
768R26.1Very low30.3Very low169 Ų169159.2 Ų159.264%0.63875%0.75SS**  trans49127.5140.1-74.4-176.9169.8141.2-19.2121.7S247 K770S247-R768 PolarHBondContact OG-NH1 3.47Å; R768-K770 PolarHBondContact O-N 2.91Å
769S31.6Very low30.1Very low125 Ų125157.9 Ų157.987%0.87475%0.747SS**PPolyproline II helixtrans-46.5125.8154.3-42.60000112.8
770K29.6Very low29.7Very low197 Ų197161.5 Ų161.586%0.85775%0.749SS**PPolyproline II helixtrans-98.3124.8167.8-76.3178.8177.41710110.8R768R768-K770 PolarHBondContact O-N 2.91Å
771R30.2Very low29.5Very low239 Ų239162.2 Ų162.290%0.90275%0.748SS**PPolyproline II helixtrans-53.3153.9150.9-76.9173.4162.2168.7-7109.3
772R30Very low29.2Very low214 Ų214160.6 Ų160.681%0.80875%0.749SS**  trans177.6151.4147.3-101.6178.4-172.6-1481.1109.3
773Q29.4Very low29.6Very low128 Ų128156.7 Ų156.760%0.59874%0.743SS**  cis-168.3158.8-13.9-147.6166.6-10.400109.7
774R30.8Very low29.5Very low227 Ų227159.8 Ų159.886%0.85775%0.746SS**  trans175.4120.9134.7-93.8154.4-167-163.53.1108.2
775N31.1Very low29.2Very low123 Ų123158.4 Ų158.466%0.65874%0.744SS**  75.6134.690.6-67.325.2000111.4
776I31.8Very low29Very low147 Ų147162 Ų16275%0.75475%0.748SS**  cis-152.61596.9-104.4152.5000108.6
777P35.7Very low28.9Very low111 Ų111157.2 Ų157.272%0.72175%0.751SS**  trans-102158.9179.438.8-34.3000114.9
778E29.9Very low29Very low199 Ų199158.9 Ų158.993%0.9377%0.772SS**  trans-171.8-176.8145.6-112.5164.9-15100112.6
779T26.5Very low29.3Very low123 Ų123159.8 Ų159.876%0.75578%0.783SS**  trans-128.9-177.2-159.149.50000115
780I29.1Very low29.6Very low144 Ų144158.7 Ų158.774%0.73877%0.773SS**  trans107.3132.9157.8-60.5170.2000118.9
781N27Very low29.6Very low142 Ų142155.3 Ų155.376%0.75977%0.769SS**  trans57.2131.5163.8-65.2-13.2000121.1
782Q26.4Very low29.6Very low182 Ų182151.2 Ų151.285%0.8576%0.76SS**  65.2144.465.6-89.2-140.912.400115.6
783P39.9Very low29.4Very low97 Ų97150.6 Ų150.663%0.6377%0.766SS**  -136.4-162.4-115.543.8-26.9000116
784Y23.8Very low29.4Very low208 Ų208152.5 Ų152.582%0.81678%0.775SS**  trans87.4138.6161.1-83.4-50.4000121
785F22.8Very low29.1Very low159 Ų159149 Ų14970%0.69778%0.779SS**  trans68.3111.8151.8-87.7-105.8000123.4
786Y23.9Very low28.9Very low215 Ų215151.4 Ų151.484%0.84379%0.786SS**  78.3136127.7-95.8-123.4000123.7
787G25.1Very low28.6Very low67 Ų67149.5 Ų149.569%0.69178%0.784SS**  trans101.3142.5148.700000116.7
788S28.1Very low28.1Very low121 Ų121150.5 Ų150.585%0.84679%0.788SS**  cis-157.4146-11.2-78.60000110.7
789H32Very low27.8Very low187 Ų187151.5 Ų151.587%0.86679%0.785SS**  trans-74163.6163.3-108.6-80.6000111.2
790P38.5Very low28.2Very low103 Ų103150.6 Ų150.667%0.66978%0.781SS**  trans-122.2138140.5-0.221.6000114
791V29.8Very low28Very low125 Ų125154.1 Ų154.176%0.75879%0.787SS**  trans65130.6131.5175.40000119.1
792Q29.2Very low28.1Very low154 Ų154156.5 Ų156.572%0.7279%0.793SS**  cis-175.6141.2-22.8-123.9169.71.500108.9
793Q27.8Very low28.1Very low200 Ų200154.6 Ų154.694%0.93579%0.794SS**  -167.2152.8128.3-108.4176.113.900110.1
794Q27.6Very low27.7Very low169 Ų169153.7 Ų153.779%0.7980%0.795SS**  trans-114.2149.7-166.2-56.2153.3-66.500111.4
795V26Very low27.8Very low153 Ų153151.2 Ų151.293%0.92780%0.796SS**  -142.3149.2120-178.70000107.1
796H26.7Very low28.1Very low174 Ų174151.2 Ų151.281%0.80680%0.798SS**  trans-108.9162.2-167.8-159.8-90.7000114
797C24.1Very low28.4Very low106 Ų106149.5 Ų149.572%0.71679%0.794SS**  trans-74.1148.1-179-45.40000113.9
798V26.5Very low28.6Very low133 Ų133152 Ų15281%0.80680%0.796SS**  trans-146.5135.7150.1178.50000109.9
799Y23.9Very low28.5Very low219 Ų219156.2 Ų156.286%0.85980%0.795SS**  trans-112.3125.7156.3-118.1-74.6000106.8
800P34.5Very low28.4Very low105 Ų105152.3 Ų152.368%0.68279%0.785SS**  trans-92.5146172.334.6-31.4000111.5
801Y25.4Very low27.9Very low218 Ų218153.4 Ų153.486%0.85579%0.785SS**  trans-145.2131.6161.8-106.8-75.4000108.4
802E29.1Very low27.9Very low192 Ų192154 Ų15490%0.89778%0.782SS**  trans-122.5159.9164.7-77.7-167.1131.600110.2
803T25.7Very low27.8Very low142 Ų142155 Ų15587%0.87179%0.787SS**  trans-96.8175.7-173.356.70000110.1
804A30.4Very low27.6Very low77 Ų77150.7 Ų150.764%0.63678%0.777SS**  cis-156.7155.217.300000112.8
805N27.5Very low27.6Very low157 Ų157150.4 Ų150.484%0.8478%0.78SS**  -162.5164.2108.7-111.2-42.6000113.4
806Q28.8Very low28.1Very low158 Ų158147.7 Ų147.774%0.73877%0.766SS**  trans-89.4144.3-161.3-54.6166-7.400114
807K29Very low28Very low179 Ų179150.3 Ų150.378%0.77877%0.77SS**  174.1126.895.6-91.9-172.2-179.3179.10115.2
808V29.5Very low27.9Very low120 Ų120149.2 Ų149.273%0.72777%0.769SS**  trans69106.5138-174.70000120.4
809Y27.2Very low28.2Very low209 Ų209148.6 Ų148.682%0.8277%0.767SS**  37.8139.8123.1-73.3-121.4000119.7
810T28.4Very low28.4Very low106 Ų106145.1 Ų145.165%0.6577%0.769SS**  cis-161.1175.911.1-3.40000114.8
811D29.3Very low27.9Very low125 Ų125149 Ų14967%0.66878%0.778SS**  trans85.685146.6-62-14.9000124.2
812I29.3Very low28.2Very low137 Ų137143.5 Ų143.570%0.70377%0.769SS**  81.5105.7106.7-72.3169.3000121.4
813H27.3Very low28Very low177 Ų177140.9 Ų140.982%0.81977%0.766SS**  trans73.7161.5138.9-76.8-106000122.7
814C24.3Very low27.9Very low108 Ų108144 Ų14473%0.7376%0.762SS**  trans-148.6144.6-155.8-45.90000113.9
815L25.8Very low27.7Very low164 Ų164146.1 Ų146.186%0.85976%0.761SS**  trans62.7173.3138.1-71.3173.3000119.5
816P36.6Very low27.6Very low95 Ų95146.3 Ų146.362%0.61775%0.75SS**  cis-135.8175.6-28.733.6-15.4000115.4
817Y24.7Very low28.1Very low230 Ų230144.1 Ų144.190%0.90275%0.75SS**  trans59.9146.7155.8-74.7-62.6000119.5
818A23.5Very low28.6Very low83 Ų83140.9 Ų140.969%0.68675%0.747SS**  cis-139.3-126.8-2.300000113.1
819P32.9Very low28.5Very low120 Ų120143.8 Ų143.878%0.77975%0.75SS**  -120.7-163.7-114.238.2-20.7000116.2
820V27.1Very low28.5Very low146 Ų146139.7 Ų139.789%0.88574%0.741SS**  trans104.3156.7169.8-172.80000115.9
821Q22.9Very low28.4Very low186 Ų186140.4 Ų140.487%0.86975%0.745SS**  trans-106.6173.7-160.9-90.6-131.9-6.600115.2
822P33.5Very low28.3Very low103 Ų103140.3 Ų140.367%0.66975%0.745SS**  trans-113173.9-158.442.6-35.8000116.6
823T23.7Very low28.3Very low137 Ų137140.1 Ų140.184%0.8475%0.745SS**  trans-152.2161.3158.535.90000113.9
824W25.1Very low28.6Very low206 Ų206138.2 Ų138.278%0.7874%0.741SS**  trans-59.9-173.5-172.1-40.793.1000116.8
825I25.4Very low28.7Very low122 Ų122140.1 Ų140.163%0.62674%0.744SS**  cis-164.3165.315.6-139.2149.5000107.3
826R24.5Very low29.1Very low161 Ų161137.2 Ų137.261%0.60873%0.734SS**  cis-157.8157.2-23.4-126.8-173.8166.4-176.4-6.7106.8I521I521-R826 PolarHBondContact O-NH1 2.95Å
827P39.4Very low28.8Very low113 Ų113144.1 Ų144.173%0.73475%0.748SS**  trans-91.3159.1169.137.6-33.8000112.5
828P39.6Very low29.2Very low111 Ų111138.3 Ų138.372%0.72174%0.739SS**  -141.1-154.994.241.8-25.4000111.9
829F27.6Very low29.4Very low181 Ų181142.3 Ų142.379%0.79474%0.741SS**  cis-159.5169.55.3-129.8-20.7000112.7
830I27.4Very low29.2Very low123 Ų123146.7 Ų146.763%0.63174%0.743SS**  trans59.399.2149.9-70.1168.6000121.2
831T25.8Very low29.3Very low120 Ų120143.3 Ų143.374%0.73673%0.731SS**  trans65.1164.2143.371.10000118.9
832N29Very low29.7Very low124 Ų124140.2 Ų140.266%0.66373%0.725SS**  cis-154.9148.8-2-134.9-10.4000109.9
833N29.3Very low29.5Very low132 Ų132142 Ų14271%0.70673%0.729SS**  trans61.6160.6158.3-65.1-29.8000118
834L31.9Very low29.7Very low137 Ų137144.1 Ų144.172%0.71773%0.729SS**  cis-153.4127.8-11.8-122.4168.2000110.3
835N27.9Very low30.2Very low149 Ų149139.1 Ų139.180%0.79772%0.723SS**  trans38.4153.7153.9-80.6-30.4000125.1
836P34.2Very low30.4Very low102 Ų102139 Ų13966%0.66273%0.728SS**  trans-108.3174.9-177.242.8-36000114.5
837R28.9Very low30.6Very low241 Ų241140.1 Ų140.191%0.90974%0.738SS**  trans-179.7150.6132.7-100.7162.8-168.8-1593.6112.9
838P33Very low30.2Very low108 Ų108141.3 Ų141.370%0.70174%0.743SS**  trans-100.1146.9173.237-32.3000114.6
839F27.7Very low29.7Very low166 Ų166139.2 Ų139.273%0.72874%0.741SS**  trans69.3118.4152-70.7-54.3000123.8
840Y28.8Very low29.5Very low212 Ų212136.3 Ų136.383%0.83174%0.743SS**  trans65.1144.8144.6-61.9-54.3000119.4
841A30.1Very low30Very low75 Ų75135.9 Ų135.962%0.6275%0.748SS**  cis-149.2172.87.900000114.4
842T30.4Very low30.1Very low121 Ų121135 Ų13574%0.74275%0.748SS**  trans59.1101.3150.749.90000122.3
843N28.9Very low30.2Very low142 Ų142135.1 Ų135.176%0.75975%0.752SS**  67.8114.8113.2-61.60.6000123.6
844Q28.7Very low30Very low180 Ų180133.4 Ų133.484%0.84175%0.751SS**  86.8152126.5-83.2-166.2-8.300120.7
845P36.5Very low29.9Very low102 Ų102132.7 Ų132.766%0.66275%0.751SS**  -140.5-129.2-118.442.6-19.6000113.7
846T29.1Very low29.9Very low118 Ų118131.8 Ų131.872%0.72475%0.746SS**  trans70.8144.1168.438.80000117.6
847F27.9Very low29.8Very low185 Ų185131.9 Ų131.981%0.81175%0.746SS**  cis-170.9164.2-21.2-143-128.4000109.4
848V31Very low29.8Very low139 Ų139131.8 Ų131.884%0.84275%0.746SS**  trans66.4143.5170.1-167.10000115.8
849G28.9Very low29.7Very low66 Ų66132.3 Ų132.368%0.6874%0.742SS**  cis173.9170.2-8.600000113.3
850S24.2Very low29.7Very low120 Ų120132.3 Ų132.384%0.83974%0.744SS**  trans-80.8-177.1178.5-27.50000112.4
851P38.2Very low29.4Very low114 Ų114126.3 Ų126.374%0.7473%0.733SS**  cis-138.7-165.2-6.337.4-16.2000115
852S28Very low29.3Very low103 Ų103128.2 Ų128.272%0.7274%0.737SS**  trans96.1158.2140.880.50000122.4
853V31Very low29Very low125 Ų125128 Ų12876%0.75874%0.74SS**  trans66.879.7163.4-1680000119.4
854S24.8Very low29.3Very low97 Ų97126.3 Ų126.368%0.67874%0.737SS**  26.8157.9117.764.40000124.3
855V29.5Very low29.1Very low121 Ų121125.5 Ų125.573%0.73374%0.738SS**  trans88.698.3162-175.70000114.8
856I27.6Very low28.6Very low131 Ų131126.4 Ų126.467%0.67275%0.747SS**  63.2114.369.4-60.4176.5000111.2L859I856-L859 HydrophobicContact CG2-CD2 4.29Å; I856-L859 HydrophobicContact CG2-CG 4.47Å
857P31.9Very low28.4Very low103 Ų103130 Ų13067%0.66975%0.753SS**  -152.6135.277.738.1-18000118.8L859P857-L859 HydrophobicContact CB-CD1 4.2Å
858R29.6Very low28.3Very low240 Ų240126 Ų12691%0.90675%0.747SS**  168.388118.5-90.7177.5-173.2-143.31.2107.8
859L29.9Very low28.2Very low119 Ų119125.8 Ų125.862%0.62374%0.737SS**  73.2114.764.2-60.9173.8000114I856 P857I856-L859 HydrophobicContact CG2-CD2 4.29Å; I856-L859 HydrophobicContact CG2-CG 4.47Å; P857-L859 HydrophobicContact CB-CD1 4.2Å
860H28.2Very low28.4Very low165 Ų165126.3 Ų126.376%0.76473%0.728SS**  trans52.7117.4150.9-61.7-65.5000119.7
861S23.6Very low28.7Very low86 Ų86125 Ų12560%0.60171%0.709SS**  cis99.3156.237.975.10000114.3
862T28Very low28.2Very low116 Ų116123.6 Ų123.671%0.71270%0.695SS**  trans65.3103.8159.445.70000120.3
863S24.1Very low28.3Very low115 Ų115122.9 Ų122.980%0.80470%0.695SS**  72.3162.1129.5-49.70000119.8
864P34Very low28.2Very low108 Ų108122.2 Ų122.270%0.70169%0.687SS**  cis-128.8171.5-20.438.3-22.5000115
865L24.7Very low28.6Very low163 Ų163126 Ų12685%0.85369%0.694SS**  trans48.9132.1148.8-67.4164.2000122.4
866S26.6Very low28.7Very low121 Ų121126.6 Ų126.685%0.84669%0.693SS**  172-177.3123.247.30000113.5
867F25.2Very low28.9Very low194 Ų194127.1 Ų127.185%0.85170%0.696SS**  trans-109.2158.9-166.6-88.3-125.5000113.8
868S25.4Very low28.9Very low99 Ų99126.2 Ų126.269%0.69269%0.688SS**  trans62.7140.1140.962.90000124
869H28.6Very low28.8Very low136 Ų136124.7 Ų124.763%0.6368%0.684SS**  trans80.1126.9156.3-75.438.6000120.3Q884H869-Q884 PolarHBondContact CD2-OE1 3.46Å; H869-Q884 VanDerWaalsContact CD2-OE1 3.31Å
870P34.2Very low28.8Very low76 Ų76124.5 Ų124.549%0.49468%0.683SS.*  trans-95.1-178.4172.2-8.427.7000118Q884 N885P870-Q884 PolarHBondContact O-OE1 2.94Å; P870-N885 PolarHBondContact O-ND2 3.2Å; P870-N885 VanDerWaalsContact O-ND2 3.13Å
871H29.1Very low28.7Very low94 Ų94123.1 Ų123.144%0.43568%0.681SS.*  trans64.7145.2152.1-93.6-121.7000121.4N882 E883 Q884 N885H871-N882 PolarHBondContact ND1-O 3.48Å; H871-E883 HydrophobicContact CB-CB 3.66Å; H871-Q884 HydrophobicContact CB-CB 4.09Å; H871-N885 PolarHBondContact O-ND2 3.43Å
872N29.4Very low28.7Very low84 Ų84124 Ų12445%0.44968%0.679SS.*  cis-133.6-112.5-1.5-169.1-1.6000112.8L881 N882 E883N872-L881 PolarHBondContact ND2-O 2.85Å; N872-N882 PolarHBondContact ND2-O 3.33Å; N872-E883 WeakPolarHBondContact CB-O 3.26Å
873A29.6Very low28.8Very low87 Ų87123.6 Ų123.672%0.71967%0.669SS**  cis-155.9172.86.100000112.5
874D28.6Very low29.1Very low111 Ų111122 Ų12259%0.59465%0.649SS**  trans-87.5149.6-160.1-61.6-60.4000119
875Q32.8Very low28.8Very low177 Ų177122.1 Ų122.183%0.82764%0.644SS**  trans-163.6128139-89.5-161.430.500106.5
876L32.1Very low28.9Very low134 Ų134118.3 Ų118.370%0.70263%0.627SS**SBendcis-145.2161.54.1-64.6178000106.3
877L31.3Very low28.9Very low141 Ų141120.5 Ų120.574%0.73863%0.628SS**  cis-176.4139.5-13.6-94171.3000102.3
878V31.1Very low29.1Very low85 Ų85117.2 Ų117.252%0.51562%0.624SS.*SBendcis-161.6164.2-8.1-101.50000106
879Y28.9Very low29.6Very low208 Ų208117.5 Ų117.582%0.81662%0.624SS**SBendcis-136.2152.23.7-77-84.4000107.8
880N30Very low29.6Very low114 Ų114120.2 Ų120.261%0.6164%0.636SS**  cis-161.8143.1-24.5-11018.8000105.3
881L25.1Very low29.3Very low136 Ų136121.2 Ų121.271%0.71265%0.645SS**  trans-135.6126.1-171.2-80.4165000114.8N872N872-L881 PolarHBondContact ND2-O 2.85Å
882N24.9Very low29.2Very low105 Ų105123.7 Ų123.756%0.56166%0.662SS**  trans27.8119.1161.8-62.618.7000121.8H871 N872H871-N882 PolarHBondContact ND1-O 3.48Å; N872-N882 PolarHBondContact ND2-O 3.33Å
883E29.8Very low29.1Very low108 Ų108127.1 Ų127.151%0.50568%0.68SS.*  trans70.5167142.7-63.2177-108.800119.3H871 N872H871-E883 HydrophobicContact CB-CB 3.66Å; N872-E883 WeakPolarHBondContact CB-O 3.26Å
884Q29.1Very low29.5Very low82 Ų82127.7 Ų127.738%0.38368%0.677SS.*  cis-115.5-114.6-10.6-150.8168.288.100112.2H869 P870 H871H869-Q884 PolarHBondContact CD2-OE1 3.46Å; H869-Q884 VanDerWaalsContact CD2-OE1 3.31Å; P870-Q884 PolarHBondContact O-OE1 2.94Å; H871-Q884 HydrophobicContact CB-CB 4.09Å
885N27.6Very low29.6Very low109 Ų109129.5 Ų129.558%0.58369%0.686SS**  cis-152.5-152.7-4.4-157.6-77.6000109.2P870 H871P870-N885 PolarHBondContact O-ND2 3.2Å; P870-N885 VanDerWaalsContact O-ND2 3.13Å; H871-N885 PolarHBondContact O-ND2 3.43Å
886V27.9Very low29.5Very low84 Ų84127.3 Ų127.351%0.50969%0.685SS.*  trans-129.4133.3-155.7173.10000115.5
887L26.2Very low29.2Very low166 Ų166128.2 Ų128.287%0.86969%0.685SS**  -175.3165.9117.8-116.6119.1000114
888V29.6Very low29.3Very low125 Ų125129.7 Ų129.776%0.75869%0.692SS**  trans-137.1157.8-169.6160.50000107.4
889P35.9Very low29.4Very low106 Ų106130.5 Ų130.569%0.68869%0.692SS**  cis-127.3176.47.334.8-15.7000116
890E28.8Very low29.5Very low192 Ų192127.7 Ų127.790%0.89770%0.697SS**  178.4-169.9120.5-96.4-171.7170.800112.3
891S28.7Very low29.4Very low98 Ų98130.2 Ų130.269%0.68571%0.705SS**  trans-92.8145-145.9530000119.5
892N26.9Very low29.6Very low145 Ų145127.5 Ų127.578%0.77570%0.702SS**  trans51.1108.8138.9-60-13.6000123.1
893N26.4Very low29.7Very low157 Ų157130.7 Ų130.784%0.8472%0.718SS**  57.3165127.4-81.3-10.2000122.5
894P37.5Very low29.7Very low99 Ų99131.8 Ų131.864%0.64373%0.731SS**  cis-133.2-173.8-3338.9-22.1000112.9
895N31.3Very low29.5Very low149 Ų149132.7 Ų132.780%0.79775%0.746SS**  trans138.6141.6152-74.3-27.2000112.4
896V30.8Very low29.6Very low131 Ų131133.8 Ų133.879%0.79476%0.757SS**  cis-149.5157.1-8.4108.30000111.1
897H26.4Very low29.5Very low152 Ų152138.9 Ų138.970%0.70478%0.776SS**  trans-72153.3178.1-96.6-110000115I899H897-I899 HydrophobicContact CB-CD1 4.24Å; H897-I899 HydrophobicContact CB-CG1 3.96Å
898I32.4Very low29.5Very low173 Ų173136.9 Ų136.989%0.88778%0.775SS**  trans-122155.4134.3-68.7-175.1000106.9
899I32.6Very low29.6Very low101 Ų101136 Ų13652%0.51878%0.781SS.*  trans-127.2136.3-149.7-71.4151.3000113.7H897 E901H897-I899 HydrophobicContact CB-CD1 4.24Å; H897-I899 HydrophobicContact CB-CG1 3.96Å; I899-E901 HydrophobicContact CG2-CG 3.64Å
900T32.1Very low29.3Very low149 Ų149138.8 Ų138.891%0.91479%0.79SS**  trans-149.2151.4133.1-10.80000110.1
901E28.3Very low29.4Very low167 Ų167136.9 Ų136.978%0.7879%0.786SS**  trans-120.3174.5-161.6-43164.7131.200109.3I899I899-E901 HydrophobicContact CG2-CG 3.64Å
902A28.5Very low29.4Very low79 Ų79139.9 Ų139.965%0.65379%0.789SS**  cis-151.4143.92.400000110.4
903I26.9Very low29.4Very low173 Ų173139 Ų13989%0.88779%0.789SS**  trans-135.5132.1152.6-62-178000105.9
904V30.4Very low29.6Very low130 Ų130139.5 Ų139.579%0.78879%0.786SS**  trans-124.6124.7-170.5171.50000110.7
905S25.1Very low29.2Very low101 Ų101141.4 Ų141.471%0.70679%0.791SS**  trans-72.7-177.3171.9-45.20000110.3
906T29.1Very low29.1Very low132 Ų132140.8 Ų140.881%0.8180%0.797SS**  cis-160.4161.94546.70000111.9
907E25.2Very low29Very low192 Ų192139.9 Ų139.990%0.89780%0.796SS**  trans-69.2164.4172-59.8169.9120.600113.1
908S27.5Very low29.5Very low123 Ų123137.7 Ų137.786%0.8680%0.795SS**  trans-120136.9173.3-66.20000110.7
909A30.2Very low29.5Very low106 Ų106136.9 Ų136.988%0.87679%0.791SS**  trans-92.3156.5-170.400000114.7
910N29.5Very low29.4Very low165 Ų165137.2 Ų137.288%0.88280%0.803SS**  trans-82.5133175.5-82.5-71.6000112.6
911L31.7Very low29Very low153 Ų153137.4 Ų137.480%0.80180%0.798SS**  trans-154.9116.7164.2-104.1173.8000114.8
912Q28.6Very low28.9Very low161 Ų161135.5 Ų135.575%0.75280%0.798SS**  trans40.1106.2141.2-70.8177.2-14.800124.2
913T27.9Very low28.7Very low127 Ų127138.1 Ų138.178%0.77981%0.805SS**  71.6132.9122.761.10000125.2
914Q30Very low28.6Very low167 Ų167136.6 Ų136.678%0.7880%0.798SS**  trans101.2116.6153.5-61.1-151.34.400120.9
915N27.9Very low28.5Very low138 Ų138138.4 Ų138.474%0.73880%0.798SS**  trans60.896.1146-56.7-14.7000121
916C30.6Very low28.4Very low136 Ų136140.1 Ų140.192%0.91980%0.799SS**  -166.7156108.2-96.80000113.6
917S29Very low28.3Very low113 Ų113142.8 Ų142.879%0.7980%0.802SS**  trans-97-176.5179.8-50.50000110.1
918P36.8Very low28.4Very low105 Ų105138.3 Ų138.368%0.68279%0.792SS**  cis-144.5173.68.644.3-25.5000119
919I31.6Very low28.3Very low156 Ų156141.2 Ų141.280%0.879%0.792SS**SBendtrans69.7121.8155.6-70.2153.6000116.5
920S30.5Very low28.2Very low109 Ų109140.8 Ų140.876%0.76278%0.783SS**  cis-149.3152.2-3.739.50000112.1
921N24.7Very low28.1Very low153 Ų153139 Ų13982%0.81878%0.778SS**  trans-106.3170-157.4-72-15.7000115.8
922V24.4Very low28Very low127 Ų127142.7 Ų142.777%0.7778%0.781SS**  trans-36.6139.4146.3174.60000112I924V922-I924 HydrophobicContact CG1-CG1 4.22Å
923T24.8Very low27.7Very low133 Ų133138.7 Ų138.782%0.81677%0.771SS**  trans-12099.4168.3-56.30000109.9
924I26.1Very low27.7Very low141 Ų141142.1 Ų142.172%0.72377%0.771SS**  trans-140.7146.6165.4-60.9-176.5000107.7V922V922-I924 HydrophobicContact CG1-CG1 4.22Å
925Q26.8Very low27.6Very low169 Ų169141.3 Ų141.379%0.7977%0.771SS**  trans83.1143.9-173.4-57.9-168.6-1.200115.2
926N23.9Very low27.5Very low136 Ų136140.5 Ų140.573%0.72777%0.771SS**  cis-177.5165.6-33.6-106.7-9.8000105.6
927Q26.9Very low27.8Very low188 Ų188139.2 Ų139.288%0.87976%0.761SS**  trans81.9135.8-169.9-50.8167.232.600112.7
928S26.5Very low27.8Very low99 Ų99141.8 Ų141.869%0.69276%0.76SS**  cis-162.8172.6-14.4460000110.7
929E26.9Very low27.2Very low183 Ų183144.6 Ų144.686%0.85576%0.764SS**  trans73103.4161.4-56.9-168.4149.500119.8
930S27.5Very low26.9Very low97 Ų97144.1 Ų144.168%0.67876%0.759SS**  78.7110114.7-159.50000121.3
931T28Very low26.8Very low128 Ų128144.5 Ų144.579%0.78575%0.751SS**  trans61.7142.8145.165.60000118.3
932R28.1Very low27Very low231 Ų231144.3 Ų144.387%0.87275%0.748SS**  cis-164.4160.241.2-167.4170.2-179.2163.4-0.9111.7
933S24Very low27.2Very low76 Ų76143 Ų14353%0.53175%0.745SS.*  trans-68.6153.717652.50000116.2
934Y27.7Very low27.2Very low200 Ų200142.9 Ų142.978%0.78474%0.739SS**  trans132.1146.9133.5-76.8-61.2000118.4
935L26.9Very low27.4Very low149 Ų149143.4 Ų143.478%0.7874%0.738SS**  trans65.1141.6156-94.170.7000117.9
936V25.9Very low27.3Very low121 Ų121140.9 Ų140.973%0.73373%0.731SS**  cis70.6124.216.7-166.90000115
937P38.1Very low27.5Very low110 Ų110143.6 Ų143.671%0.71474%0.736SS**  cis-132.4-129.8-31.540.5-20.1000110.4
938Q27.6Very low27.5Very low166 Ų166142.1 Ų142.178%0.77673%0.729SS**  trans92.2127.3170.5-64-175.9-0.400115.8
939H25.1Very low27.8Very low165 Ų165142.6 Ų142.676%0.76473%0.73SS**  65.1133.164.3-84.9-107.2000111.5
940E24.5Very low27.8Very low146 Ų146139.6 Ų139.668%0.68272%0.72SS**  cis-163.5-151.3-5.4-151.4-170.213100106.6
941I28.4Very low27.8Very low116 Ų116141.4 Ų141.460%0.59573%0.727SS**  cis-166.8154.91.5-177.8166.2000108.4
942I30.3Very low27.9Very low149 Ų149138.9 Ų138.976%0.76472%0.719SS**  trans56.6159.4168.547.4-178000119.1
943S27.9Very low28.1Very low100 Ų100134.6 Ų134.670%0.69972%0.719SS**  cis-150.3140.8-7.323.30000108.1
944N25.3Very low28.4Very low130 Ų130136.4 Ų136.470%0.69573%0.732SS**  cis85.5134.949.4-163.513.9000113.3
945Q29.4Very low28.6Very low152 Ų152132 Ų13271%0.7173%0.73SS**  trans75.7151.3173.8-49.1-170.614.100118.6
946N25.4Very low28.8Very low117 Ų117129.4 Ų129.463%0.62672%0.724SS**  cis-170.5175.1-29.5-99.1-19.5000110.4
947F28Very low29Very low192 Ų192130.3 Ų130.384%0.84272%0.723SS**  trans79100.9158-69.4-68.2000121.2
948E27Very low28.7Very low157 Ų157133.8 Ų133.873%0.73473%0.73SS**  -6.9151.8119.8-96.6-174.2-159.400118.2
949P32.6Very low28.9Very low110 Ų110129.7 Ų129.771%0.71473%0.725SS**  -157.7148.966.342.1-20.7000121.3
950N26.2Very low29.1Very low120 Ų120128.8 Ų128.864%0.64272%0.724SS**  trans58.7143.7130.7-73.1-52.5000126.2
951T28.1Very low29.3Very low134 Ų134130.3 Ų130.382%0.82273%0.731SS**  trans73.4146.3141.947.90000120.7
952A29Very low29.2Very low75 Ų75129.1 Ų129.162%0.6274%0.739SS**  cis-164.1177.2-5.900000113.4
953T31.8Very low29.2Very low142 Ų142127.3 Ų127.387%0.87174%0.736SS**  trans76.6123.5168.571.60000115.5
954S32.1Very low29.1Very low114 Ų114129.8 Ų129.880%0.79774%0.74SS**  cis-155.1-177.52.569.90000109.9
955S31.8Very low29Very low107 Ų107128.4 Ų128.475%0.74874%0.74SS**  cis-149.2-8711.347.10000114.6
956S31.1Very low28.7Very low94 Ų94131.3 Ų131.366%0.65775%0.746SS**  trans-165.5157-155.550.80000112.8
957I30.4Very low28.7Very low140 Ų140130.5 Ų130.572%0.71875%0.749SS**  cis-161141.6-5.4-113.1166.1000109.2
958Q31.6Very low28.7Very low184 Ų184131.1 Ų131.186%0.8676%0.755SS**  trans55.3148.7156.2-69.2171.8-0.400121.2
959A30.9Very low28.6Very low80 Ų80128.4 Ų128.466%0.66176%0.759SS**  cis-168.1163.9-1300000113.4
960I29.3Very low28.3Very low145 Ų145132.6 Ų132.674%0.74477%0.769SS**  trans76.699.8155-67.7157.2000119.9
961Q28.1Very low28.1Very low179 Ų179130.9 Ų130.984%0.83677%0.766SS**  47.1146.6118.5-68.4170.1-29.200122.2
962A27Very low27.9Very low91 Ų91132.8 Ų132.875%0.75276%0.763SS**  cis-160.6160.4-7.800000112.3
963P30.2Very low27.7Very low110 Ų110138.3 Ų138.371%0.71477%0.774SS**  trans-134.4175.8-174.444.3-28.7000117.4
964I25.8Very low27.4Very low152 Ų152138.7 Ų138.778%0.77977%0.769SS**  trans78.4116.6139.7-81162.9000122.3
965C23.7Very low27.3Very low101 Ų101138 Ų13868%0.68276%0.762SS**  trans70.1129.8133.2-65.40000127.1
966Y22.6Very low27.1Very low213 Ų213140.7 Ų140.784%0.83576%0.76SS**  trans57.794.1137.5-76.5-79.4000123.5
967S25.8Very low26.7Very low100 Ų100143.8 Ų143.870%0.69976%0.764SS**  40.5109.6127.765.80000122
968Q27.2Very low26.6Very low206 Ų206142.1 Ų142.196%0.96376%0.761SS**  -152.2170.6119.8-113.4173.90.100109.1
969A25.2Very low26.4Very low99 Ų99140 Ų14082%0.81876%0.755SS**  trans-144.6145.5-171.100000112.6
970E25.5Very low26.3Very low198 Ų198141 Ų14193%0.92576%0.758SS**  trans-151.1152.3166.7-139.1167.6-139.300110.9
971S23.1Very low26.3Very low84 Ų84138.5 Ų138.559%0.58775%0.753SS**  trans-107.3157.3-176.145.60000110.8
972F23.6Very low26.2Very low174 Ų174137.3 Ų137.376%0.76375%0.752SS**  -179.4168.485.5-109.3-77.9000114.9
973F24.2Very low26.2Very low191 Ų191139.2 Ų139.284%0.83875%0.754SS**  trans82137.2157.2-84.2-69.6000121.8
974I26.4Very low25.8Very low151 Ų151139.4 Ų139.477%0.77476%0.759SS**  trans-126.1165.2175.3-29.7174.3000105.9
975P30.3Very low25.9Very low98 Ų98137.4 Ų137.464%0.63676%0.758SS**  -157.5176105.535.3-13.9000118.3
976F26.2Very low25.8Very low165 Ų165138 Ų13872%0.72476%0.759SS**  trans83.3107.2155.5-63-55.3000122.9
977E24.6Very low26Very low158 Ų158137 Ų13774%0.73876%0.759SS**  55.5153.3109.6-71.1177.8-153.400121.5
978T27.4Very low26.1Very low106 Ų106139 Ų13965%0.6576%0.757SS**  cis-153.5173.611-9.40000113.4
979D27.7Very low26.1Very low138 Ų138135.1 Ų135.174%0.73874%0.743SS**  trans65.3104.8144-74.1-10.7000124.2
980S28.2Very low26.2Very low102 Ų102137.7 Ų137.771%0.71374%0.736SS**  140.2123.887.261.10000119.5
981S28.7Very low26.4Very low93 Ų93134.9 Ų134.965%0.6572%0.722SS**  trans74.4112.5133.5740000124.4
982N26.6Very low26.4Very low153 Ų153135.6 Ų135.682%0.81873%0.727SS**  74160.1117.2-63.1-25.9000124.3
983V28.1Very low26.6Very low131 Ų131132.8 Ų132.879%0.79473%0.729SS**  trans87.397.6159.4-165.50000118.1
984S21.2Very low26.7Very low115 Ų115132.6 Ų132.680%0.80473%0.728SS**  trans-70.7143.5155.1-320000111.3
985S27.5Very low26.8Very low110 Ų110134.9 Ų134.977%0.76973%0.733SS**  -175.3149.2127.237.60000114.3
986T22.7Very low26.6Very low114 Ų114138.5 Ų138.570%0.69974%0.739SS**  trans-54.1149.1162.446.40000113.3
987F26.9Very low26.7Very low190 Ų190135.1 Ų135.183%0.83374%0.735SS**  -162.3109.2118.2-107.7-73.8000113.2
988H27.2Very low26.8Very low143 Ų143136.6 Ų136.666%0.66274%0.739SS**  trans38.5139.7141.6-86.5-75.2000124.9
989N27Very low26.6Very low124 Ų124138.2 Ų138.266%0.66374%0.744SS**  trans74.2143.9137.3-65.5-12.7000117.8
990K27.1Very low26.6Very low153 Ų153141.1 Ų141.167%0.66575%0.75SS**  cis-169171.82.6-124169.9167.8-160.20111.6
991H30Very low26.6Very low140 Ų140140.9 Ų140.965%0.64875%0.748SS**  trans62.8102.6154.4-68.8-57.7000121.5
992S23.9Very low26.6Very low98 Ų98141.9 Ų141.969%0.68575%0.75SS**  19.6136.1111.762.50000118.1
993S27.8Very low26.8Very low116 Ų116140.5 Ų140.581%0.81175%0.747SS**  cis-169.3175.847.2570000115.7
994K25.9Very low26.8Very low187 Ų187139.8 Ų139.881%0.81374%0.739SS**  trans-38.9145.6172.4-51.4158.7-176.3169.30115.3
995F28.6Very low27.2Very low198 Ų198141.7 Ų141.787%0.86874%0.735SS**  -157.3-168.1108.7-119.9-82.2000112.5
996K26.5Very low27.3Very low175 Ų175144.6 Ų144.676%0.76174%0.737SS**  trans-106.4138.6-154.4-71.7-177.6174.4178.70115.8
997S27Very low27.6Very low94 Ų94144.8 Ų144.866%0.65774%0.743SS**  69.2135.5129.571.60000122.9
998K26.2Very low27.6Very low188 Ų188143 Ų14382%0.81774%0.741SS**  trans73.6143.7145.1-76.4178.4177-174.30118.1
999N24.2Very low27.7Very low141 Ų141143.6 Ų143.675%0.75474%0.743SS**  cis-173178-24-119.529.9000108.2
1000K28.3Very low27.5Very low199 Ų199144 Ų14487%0.86575%0.746SS**  trans85.2159.4171.8-68.2-173.9174-172.70116.2
1001S26.4Very low27.5Very low97 Ų97146.3 Ų146.368%0.67876%0.756SS**  cis-179.5171.1-26.660.10000107.7
1002V30Very low27.2Very low114 Ų114145.3 Ų145.369%0.69176%0.76SS**  cis-136.4163.12.5-146.70000106.5
1003T30.4Very low27.3Very low123 Ų123149.6 Ų149.676%0.75577%0.769SS**  163162.792.344.10000107
1004N27.6Very low27Very low117 Ų117151.2 Ų151.263%0.62677%0.768SS**  cis-162.4178.5-17.6-103.918000106.2
1005Q30.5Very low27Very low154 Ų154152.3 Ų152.372%0.7277%0.773SS**  cis-133.7-142.48.7-157.4131.7-70.100112
1006Q28.9Very low26.9Very low171 Ų171151.3 Ų151.380%0.79977%0.77SS**  trans-106.9151.7-162.9-71.1152-63.500114.9
1007S28.3Very low26.7Very low118 Ų118147.5 Ų147.583%0.82577%0.765SS**  trans-140.9175.5156.6-169.80000109.5
1008I28.8Very low26.6Very low154 Ų154149.8 Ų149.879%0.7977%0.77SS**  trans-139.3131.8-157.5-70.7177.3000108.3
1009H28.4Very low26.4Very low154 Ų154146 Ų14671%0.71376%0.763SS**  cis-157.2-177.1-7.7-159-104.5000110.4
1010N22.7Very low26.4Very low134 Ų134147.6 Ų147.672%0.71776%0.764SS**  trans-103.3156167.9-73.2-43.9000111.9
1011F27.4Very low26.3Very low200 Ų200143.7 Ų143.788%0.87775%0.752SS**  -158.2170.6125.4-110.1-69.4000110.5
1012T22.9Very low26.2Very low120 Ų120145 Ų14574%0.73675%0.752SS**  trans-150.8130.2-163.4-44.70000110.6
1013E25.6Very low26Very low188 Ų188146.7 Ų146.788%0.87976%0.757SS**  trans-161.2168.8149-124.9173.9-149.400114.5
1014L22.7Very low25.9Very low149 Ų149146.3 Ų146.378%0.7875%0.754SS**  trans-89.8152.4-166-56.591.5000114.1
1015K26.3Very low26.1Very low211 Ų211146.5 Ų146.592%0.91776%0.759SS**  -173.9177.5115.8-101.1160.1-173.7172.50113.9
1016H25.4Very low26Very low177 Ų177145.1 Ų145.182%0.81976%0.757SS**  trans-107.2157.6-167.5-87.2-81000114.5
1017S23Very low25.9Very low94 Ų94144.1 Ų144.166%0.65776%0.756SS**  trans72.5119.913960.40000122.3
1018N24Very low25.8Very low143 Ų143145.7 Ų145.777%0.76576%0.755SS**  8589.2128.7-6421.5000121.2
1019T23.1Very low25.6Very low109 Ų109140.8 Ų140.867%0.66974%0.743SS**  61.9127.7117.951.70000123.6
1020F24.6Very low25.4Very low173 Ų173142.3 Ų142.376%0.75975%0.753SS**  trans86.6105.5135.7-67.7-39.1000121.4
1021D24.6Very low25.4Very low117 Ų117141.2 Ų141.263%0.62676%0.755SS**  102.3124.3106.1-81.217.5000125.1
1022N26.1Very low25.4Very low126 Ų126139 Ų13967%0.67475%0.751SS**  85.9166.8125.4-64.7-14.4000123.8
1023D25.8Very low25.4Very low148 Ų148142.4 Ų142.479%0.79176%0.756SS**  trans88.5140.2151.7-73-12.1000120.1
1024V26.9Very low25.2Very low115 Ų115138.6 Ų138.670%0.69775%0.75SS**  cis-163.8-157.8-1780.70000110
1025V33.1Very low25.2Very low121 Ų121137.4 Ų137.473%0.73375%0.75SS**  trans99.2131.4163.8-1750000115.3
1026N27.2Very low25.1Very low126 Ų126134.4 Ų134.467%0.67474%0.743SS**  cis-174.8169.2-25.8-96.8-11.6000106.4
1027L27.7Very low25.2Very low149 Ų149130.5 Ų130.578%0.7874%0.742SS**  cis-121.6-170.2-9.4-52.573.6000106.5
1028D25.3Very low25.2Very low151 Ų151131.9 Ų131.981%0.80775%0.746SS**  cis-148.2-157.5-6.4-149.634.3000105.9
1029G24.3Very low25.4Very low51 Ų51131.7 Ų131.753%0.52675%0.75SS.*  cis174.8143.50.200000111.1
1030M25.6Very low25.3Very low187 Ų187131.1 Ų131.192%0.92175%0.75SS**  trans63.998173.5-61.4-164.2176.700120.9
1031S23Very low25.5Very low110 Ų110129.6 Ų129.677%0.76976%0.755SS**  72.3160.7114.5-150.70000123.2
1032L26.5Very low25.7Very low153 Ų153128.2 Ų128.280%0.80176%0.76SS**  trans68138.1177.2-54.4173.6000115.3
1033K23.4Very low25.8Very low193 Ų193130.4 Ų130.484%0.83977%0.766SS**  cis75.710330.9-70.8-167.8173.6-179.20116.7
1034S21.7Very low25.9Very low107 Ų107129.9 Ų129.975%0.74876%0.763SS**  trans83.8141.9140.6-164.90000120.7
1035T22.4Very low26Very low125 Ų125131.9 Ų131.977%0.76777%0.765SS**  trans80.715714820.70000121.3
1036N22.7Very low25.6Very low147 Ų147132 Ų13279%0.78676%0.761SS**  trans-91.8149.7-164.1-49.4-45.5000114.2
1037A27.4Very low25.6Very low95 Ų95135.5 Ų135.579%0.78577%0.766SS**  trans58.1-159.5140.600000117.9
1038V24.3Very low25.6Very low124 Ų124135.5 Ų135.575%0.75276%0.762SS**  trans75.5132.8-175.6-171.10000110.9
1039V27.4Very low25.7Very low138 Ų138135.2 Ų135.284%0.83676%0.76SS**  -121.8151.170179.10000114.5
1040S22.6Very low25.8Very low98 Ų98138.6 Ų138.669%0.68578%0.775SS**  trans-145160.4175.5-49.10000110.4
1041T27.6Very low25.9Very low141 Ų141133.2 Ų133.287%0.86577%0.768SS**  trans-144.6142.1169.843.90000108.7
1042A29.5Very low26Very low88 Ų88133.1 Ų133.173%0.72777%0.767SS**  cis-148.6-173.3-3.200000112.4
1043Q27.2Very low26Very low171 Ų171133.9 Ų133.980%0.79977%0.772SS**  trans-60.6171.3-173.6-64.9129.4-60.200115.2
1044L28.7Very low26.1Very low138 Ų138135.3 Ų135.372%0.72377%0.772SS**  cis-151.7148.843-102.794.9000115.8
1045E27.8Very low26.4Very low157 Ų157137.9 Ų137.973%0.73478%0.776SS**  34.8149.4126.8-64.3-168.1174.100123.1
1046N25.5Very low26.4Very low124 Ų124137.4 Ų137.466%0.66377%0.773SS**  cis-170-171.3-23.2-132.4-36000110.4
1047Y26.7Very low26.6Very low199 Ų199135 Ų13578%0.7877%0.768SS**  trans94.284163.9-66.3-80000122.1
1048H28.4Very low26.6Very low148 Ų148135.6 Ų135.669%0.68577%0.766SS**  60.6121.6113.5-78.2-79.9000124.9
1049L27.6Very low26.8Very low146 Ų146134.6 Ų134.676%0.76477%0.765SS**  83.9106.6128.7-71.3166.9000123.5
1050S25.6Very low26.8Very low121 Ų121135 Ų13585%0.84676%0.762SS**  74.9142.3114.9-159.90000122
1051G27.2Very low27Very low74 Ų74134.6 Ų134.676%0.76377%0.765SS**  trans135123.1153.100000115.6
1052S25.2Very low27Very low108 Ų108134.9 Ų134.976%0.75576%0.759SS**  trans-110.2142.8172-490000111.1
1053N27.5Very low26.8Very low170 Ų170138 Ų13891%0.90976%0.759SS**  174.1170.8113.4-92.4-48.7000115.2
1054R24.8Very low26.9Very low223 Ų223137 Ų13784%0.84275%0.754SS**  trans-99.8147.5-178.2169.5-156-79.5-174.1-6.9110.8
1055I27.5Very low26.8Very low160 Ų160134.6 Ų134.682%0.82175%0.749SS**  trans-177.6177.1136.6-94.1156000111.3
1056T23.9Very low26.9Very low116 Ų116134.1 Ų134.171%0.71275%0.747SS**  trans-101.6179.7-142.752.10000118.1
1057S26.7Very low27.2Very low97 Ų97134 Ų13468%0.67875%0.746SS**  trans9096.2136.447.40000122.6
1058S27.6Very low27.3Very low106 Ų106130.5 Ų130.574%0.74174%0.741SS**  60.6124.2119.364.70000124.1
1059S27.7Very low27.5Very low104 Ų104130.8 Ų130.873%0.72775%0.746SS**  96.6143.8124.8-84.70000123.4
1060D28Very low27.5Very low145 Ų145131.8 Ų131.878%0.77575%0.746SS**  trans74.285148.8-53.3-10.8000122.4
1061A26Very low27.7Very low91 Ų91132.3 Ų132.375%0.75274%0.744SS**  59172106.300000123.3
1062I27.4Very low27.6Very low146 Ų146134.8 Ų134.875%0.74975%0.745SS**  trans79.191.9167.5-62.9176.2000114.6
1063E25.7Very low28.3Very low153 Ų153135.4 Ų135.472%0.71575%0.746SS**  94.7166.194.4-83.6179.8-176.800112.3
1064Q29.3Very low28.4Very low151 Ų151130.6 Ų130.671%0.70674%0.737SS**  cis-153.7157.911.6-142.5168.667.400112.4
1065S26.6Very low28.7Very low87 Ų87128.1 Ų128.161%0.60874%0.735SS**  trans55.8159.6151.889.10000120.6
1066E30.8Very low28.7Very low147 Ų147130 Ų13069%0.68773%0.733SS**  cis-147.9-171.37.1-133.3151.2-75.600107.8
1067N32.1Very low29.1Very low122 Ų122129 Ų12965%0.65273%0.727SS**  cis-147.2176.214.7-141.8-64.1000114.4
1068N28Very low29.4Very low126 Ų126130 Ų13067%0.67473%0.725SS**  trans-59.5172.2-174.9-66.2-66.8000116
1069I32.8Very low29.5Very low154 Ų154130.6 Ų130.679%0.7972%0.719SS**  cis-152.8156.746.8-70.3171.3000113.9
1070H27.4Very low29.6Very low166 Ų166129.8 Ų129.877%0.76971%0.713SS**  trans-28163.8162.1-81.8-78.4000119
1071T30.5Very low29.5Very low132 Ų132131.6 Ų131.681%0.8171%0.714SS**  cis-150.6175.843.139.70000116.1
1072T24.8Very low29.5Very low126 Ų126131.8 Ų131.877%0.77371%0.71SS**  trans-136.2-173.7177.533.90000109.7
1073P39.4Very low29.6Very low121 Ų121134.3 Ų134.379%0.78672%0.715SS**  cis-133.8-176.7-43.336.9-20000114.2
1074G28.9Very low29.6Very low69 Ų69135.5 Ų135.571%0.71172%0.721SS**  trans111.1157.1157.700000115.4
1075Q30.6Very low29.4Very low172 Ų172133.1 Ų133.180%0.80472%0.721SS**  cis-149.8-173.2-3.1-51.7-176.72600107.5
1076Y28Very low29.4Very low198 Ų198138 Ų13878%0.77673%0.734SS**  cis-161.6-168.44.9-152.9-167.1000111.2
1077V32.7Very low29.2Very low97 Ų97140 Ų14059%0.58874%0.741SS**  trans29.1126.6142.4160.60000119.5
1078D32.4Very low28.9Very low118 Ų118142.8 Ų142.863%0.63175%0.75SS**  cis-158.1155.614.1-135.56.9000118
1079N30.9Very low29Very low117 Ų117144.3 Ų144.363%0.62676%0.757SS**  trans37.7142.6144.1-70.4-32.3000122.8
1080C28.9Very low28.9Very low88 Ų88144.5 Ų144.560%0.59575%0.754SS**  cis-158.5143.1-6.8-121.10000108.9
1081K26.9Very low28.8Very low182 Ų182144.6 Ų144.679%0.79176%0.755SS**  45.3137.394-57.4-179.4-171.4160.90115.2
1082S25.9Very low28.7Very low96 Ų96146.8 Ų146.867%0.67176%0.756SS**  cis178.4152-4.148.90000110.1
1083K28.8Very low29Very low198 Ų198148.2 Ų148.286%0.86176%0.757SS**  169.3128.6117.9-97.4177.4-179-177.20116
1084Q25.8Very low28.6Very low178 Ų178153.9 Ų153.983%0.83276%0.762SS**  trans-69.2159.6141.7-71.4159.3-39.800108.9
1085S24.8Very low29Very low102 Ų102156 Ų15671%0.71376%0.764SS**  cis-176.8147.6-2.244.20000109.7
1086E27.8Very low28.9Very low189 Ų189157.5 Ų157.588%0.88377%0.768SS**  trans-173.2125.2150.8-105.2152.2-163.200107.1
1087K25.2Very low29Very low190 Ų190156.9 Ų156.983%0.82677%0.769SS**  67.782.152.7-77.4-165.8173.6-178.50115.4
1088Q26.1Very low28.8Very low180 Ų180160 Ų16084%0.84178%0.782SS**  173.8158.1115-94.5172.366.900111.8
1089I31.2Very low28.8Very low158 Ų158157.7 Ų157.781%0.8178%0.775SS**  trans67.6132.1176.4-56.1158.6000112.6
1090Q29Very low29.4Very low158 Ų158158.6 Ų158.674%0.73878%0.779SS**  cis-134.2139.411177.263.749.800110.5
1091E25.1Very low29.8Very low167 Ų167160.8 Ų160.878%0.7878%0.784SS**  trans-82.3126.6163.3-61177.7112.900110.3
1092H29Very low30.4Very low179 Ų179156.2 Ų156.283%0.82977%0.773SS**  trans-175.5162137.8-121.3-97.9000114.5
1093I32.3Very low31Very low155 Ų155154.7 Ų154.780%0.79576%0.76SS**  trans72.787.8171.5-53.6175.6000116
1094R29.4Very low31.5Very low240 Ų240152.5 Ų152.591%0.90675%0.747SS**  trans-78.7172.9154.6-95.6-171-169.2-155.55.9111
1095P39.1Very low32.2Very low115 Ų115149.1 Ų149.175%0.74773%0.734SS**  trans-86.2160.8-144.534-38.1000116.5
1096K27.6Very low33.1Very low203 Ų203150.1 Ų150.188%0.88373%0.728SS**  trans-145.5108159-79.1-171.5177176.70111.4
1097K30Very low34Very low185 Ų185148 Ų14880%0.80472%0.715SS**SBendtrans-147-37.6154.8-112.2178.4179.1-177.80111.5S1099K1097-S1099 PolarHBondContact O-N 3.27Å
1098D28.9Very low34.7Very low161 Ų161145 Ų14586%0.86170%0.699SS**THydrogen-bonded Turntrans-92.187-173.1-41.9-61.3000111.6
1099S32.2Very low35.3Very low70 Ų70139.7 Ų139.749%0.4968%0.681SS.*THydrogen-bonded Turntrans-166.5-14.3172.945.70000115.6K1097 T1103K1097-S1099 PolarHBondContact O-N 3.27Å; S1099-T1103 PolarHBondContact O-OG1 2.86Å
1100I43.1Very low35.6Very low137 Ų137137.3 Ų137.370%0.70367%0.668SS**Hα-helixtrans-80.2-27.7-167.7-62.7177.1000113.1Y1104I1100-Y1104 PolarHBondContact O-N 2.94Å
1101L38.6Very low36.1Very low133 Ų133138.1 Ų138.170%0.69667%0.669SS**Hα-helixtrans-71.6-45.9-173.7-162.565.3000114.1T1103 Y1104 L1105L1101-T1103 PolarHBondContact O-N 3.44Å; L1101-Y1104 PolarHBondContact O-N 2.8Å; L1101-L1105 PolarHBondContact O-N 2.98Å
1102P37.9Very low36.6Very low86 Ų86133.1 Ų133.156%0.55866%0.656SS**Hα-helixtrans-62.4-46.6179.2-22.734.7000112.5Y1104 L1105 E1106P1102-Y1104 PolarHBondContact O-N 3.4Å; P1102-Y1104 VanDerWaalsContact O-N 3.11Å; P1102-L1105 PolarHBondContact O-N 2.87Å; P1102-L1105 VanDerWaalsContact O-N 3.09Å; P1102-E1106 WeakPolarHBondContact O-CB 3.3Å; P1102-E1106 PolarHBondContact O-N 3.09Å
1103T38.8Very low36.7Very low65 Ų65131.8 Ų131.840%0.39965%0.645SS.*Hα-helixtrans-67.7-13.5-177.4-33.10000113.4S1099 L1101 K1107S1099-T1103 PolarHBondContact O-OG1 2.86Å; L1101-T1103 PolarHBondContact O-N 3.44Å; T1103-K1107 WeakPolarHBondContact O-CD 3.44Å; T1103-K1107 VanDerWaalsContact O-CG 3.3Å; T1103-K1107 WeakPolarHBondContact O-CG 3.1Å
1104Y40.2Very low36.8Very low152 Ų152132.1 Ų132.160%0.59664%0.641SS**Hα-helixtrans-87.2-36.8172.7-168.7-106.2000112.3I1100 L1101 P1102 R1108I1100-Y1104 PolarHBondContact O-N 2.94Å; L1101-Y1104 PolarHBondContact O-N 2.8Å; P1102-Y1104 PolarHBondContact O-N 3.4Å; P1102-Y1104 VanDerWaalsContact O-N 3.11Å; Y1104-R1108 PolarHBondContact O-N 2.84Å
1105L41Very low37Very low106 Ų106129.5 Ų129.556%0.55564%0.636SS**Hα-helixtrans-70.7-42.2175.2-66.9172.3000111.6L1101 P1102 K1107 R1108 S1109L1101-L1105 PolarHBondContact O-N 2.98Å; P1102-L1105 PolarHBondContact O-N 2.87Å; P1102-L1105 VanDerWaalsContact O-N 3.09Å; L1105-K1107 VanDerWaalsContact C-N 3.31Å; L1105-K1107 PolarHBondContact O-N 3.11Å; L1105-R1108 WeakPolarHBondContact O-CA 3.43Å; L1105-R1108 VanDerWaalsContact O-CB 3.3Å; L1105-R1108 WeakPolarHBondContact O-CB 3.33Å; L1105-R1108 PolarHBondContact O-N 3.06Å; L1105-S1109 PolarHBondContact O-N 3.01Å
1106E43Very low36.6Very low124 Ų124132 Ų13258%0.57964%0.638SS**Hα-helixtrans-61.8-36.8176.7-170.5176.4-137.200112.4P1102 R1108 S1109 M1110P1102-E1106 WeakPolarHBondContact O-CB 3.3Å; P1102-E1106 PolarHBondContact O-N 3.09Å; E1106-R1108 PolarHBondContact O-N 3.34Å; E1106-S1109 PolarHBondContact O-OG 3.04Å; E1106-M1110 VanDerWaalsContact O-CB 3.3Å; E1106-M1110 WeakPolarHBondContact O-CB 3.39Å; E1106-M1110 VanDerWaalsContact O-CG 3.3Å; E1106-M1110 WeakPolarHBondContact O-CG 3.32Å; E1106-M1110 PolarHBondContact O-N 3.19Å
1107K47.4Very low36.8Very low144 Ų144126.8 Ų126.863%0.62662%0.618SS**Hα-helixtrans-72.1-8.8171.9-73.6175.2-175.5167.90113.9T1103 L1105T1103-K1107 WeakPolarHBondContact O-CD 3.44Å; T1103-K1107 VanDerWaalsContact O-CG 3.3Å; T1103-K1107 WeakPolarHBondContact O-CG 3.1Å; L1105-K1107 VanDerWaalsContact C-N 3.31Å; L1105-K1107 PolarHBondContact O-N 3.11Å
1108R38.7Very low36.8Very low127 Ų127124.7 Ų124.748%0.47962%0.616SS.*Hα-helixtrans-97.9-40.1176.2-155.5170.5-1721623.3111.5Y1104 L1105 E1106 K1111Y1104-R1108 PolarHBondContact O-N 2.84Å; L1105-R1108 WeakPolarHBondContact O-CA 3.43Å; L1105-R1108 VanDerWaalsContact O-CB 3.3Å; L1105-R1108 WeakPolarHBondContact O-CB 3.33Å; L1105-R1108 PolarHBondContact O-N 3.06Å; E1106-R1108 PolarHBondContact O-N 3.34Å; R1108-K1111 PolarHBondContact O-N 3.41Å
1109S39.2Very low36.8Very low68 Ų68124.3 Ų124.348%0.47661%0.614SS.*Hα-helixtrans-63.5-41.9169.3550000111.6L1105 E1106 K1111 A1112 Y1113L1105-S1109 PolarHBondContact O-N 3.01Å; E1106-S1109 PolarHBondContact O-OG 3.04Å; S1109-K1111 PolarHBondContact O-N 2.88Å; S1109-A1112 PolarHBondContact O-N 3.23Å; S1109-Y1113 PolarHBondContact O-N 3.49Å
1110M37.5Very low36.5Very low109 Ų109126 Ų12654%0.53763%0.626SS.*Hα-helixtrans-67.45.2174.2-71-68-81.300115.1E1106 K1114E1106-M1110 VanDerWaalsContact O-CB 3.3Å; E1106-M1110 WeakPolarHBondContact O-CB 3.39Å; E1106-M1110 VanDerWaalsContact O-CG 3.3Å; E1106-M1110 WeakPolarHBondContact O-CG 3.32Å; E1106-M1110 PolarHBondContact O-N 3.19Å; M1110-K1114 WeakPolarHBondContact O-CB 3.33Å
1111K39.8Very low35.8Very low175 Ų175127.5 Ų127.576%0.76163%0.63SS**Hα-helixtrans-110.5-14.2165.8-79.5-171.4172.9-174.90114.4R1108 S1109R1108-K1111 PolarHBondContact O-N 3.41Å; S1109-K1111 PolarHBondContact O-N 2.88Å
1112A35.8Very low35.3Very low61 Ų61128.8 Ų128.850%0.50464%0.638SS.*Hα-helixtrans-82.3-53.3165.800000109.9S1109 K1114 K1115S1109-A1112 PolarHBondContact O-N 3.23Å; A1112-K1114 PolarHBondContact O-N 3.36Å; A1112-K1115 PolarHBondContact O-N 2.99Å
1113Y30.7Very low34.9Very low151 Ų151130.1 Ų130.159%0.59265%0.649SS**THydrogen-bonded Turntrans-60.8-17.1179.5-162.5-111.7000113.9S1109 I1117S1109-Y1113 PolarHBondContact O-N 3.49Å; Y1113-I1117 HydrophobicContact CD1-CD1 4.22Å; Y1113-I1117 HydrophobicContact CE1-CD1 3.64Å; Y1113-I1117 HydrophobicContact CE2-CD1 4.35Å
1114K34.4Very low34.5Very low162 Ų162138.2 Ų138.270%0.70467%0.672SS**THydrogen-bonded Turntrans-98.418.7176.1-146.7163.5-170.4168.90114.1M1110 A1112M1110-K1114 WeakPolarHBondContact O-CB 3.33Å; A1112-K1114 PolarHBondContact O-N 3.36Å
1115K33.8Very low34.1Very low185 Ų185136.7 Ų136.780%0.80468%0.681SS**THydrogen-bonded Turntrans-123.2-9.1169.5-151.9-176.1177.6-168.80113.5A1112A1112-K1115 PolarHBondContact O-N 2.99Å
1116E30.5Very low33.4Very low167 Ų167137.4 Ų137.478%0.7870%0.695SS**SBendtrans-104.1-5.6173.7-67.6175.7147.900112.8
1117I32.3Very low32.8Very low94 Ų94137 Ų13748%0.48271%0.705SS.*SBendtrans-114.180.9168.5-55.1177.9000108.2Y1113Y1113-I1117 HydrophobicContact CD1-CD1 4.22Å; Y1113-I1117 HydrophobicContact CE1-CD1 3.64Å; Y1113-I1117 HydrophobicContact CE2-CD1 4.35Å
1118N28.5Very low31.8Very low141 Ų141133.6 Ų133.675%0.75471%0.711SS**SBendtrans17953.7162.4-95.8-19.1000110.3
1119N29.2Very low31.5Very low153 Ų153136.6 Ų136.682%0.81873%0.728SS**SBendtrans-167.2121.6163.7-109.7-8.6000106.7
1120S26.9Very low30.9Very low106 Ų106140 Ų14074%0.74174%0.74SS**SBendtrans62.4137.7-140.185.70000111.3
1121E27.2Very low30.5Very low168 Ų168142.4 Ų142.479%0.78575%0.75SS**  cis-131.8154.2-4.6-64.1179.4137.800109.6
1122N29.2Very low30Very low160 Ų160140.5 Ų140.586%0.85675%0.747SS**  trans172.471.6135-96.6-68.3000111.9R1124N1122-R1124 PolarHBondContact O-N 3.32Å
1123S28.1Very low29.6Very low115 Ų115143.4 Ų143.480%0.80476%0.758SS**  trans-63.4123.214246.40000108.5
1124R30.7Very low29.5Very low235 Ų235140.8 Ų140.889%0.88776%0.762SS**  trans-38.6151.9166.5-87.6178.2178.1172.9-0.7112.7N1122N1122-R1124 PolarHBondContact O-N 3.32Å
1125P31.9Very low29.3Very low119 Ų119139.7 Ų139.777%0.77376%0.764SS**  -151.1172.154.141.2-21.5000119
1126S25.7Very low29Very low122 Ų122138 Ų13885%0.85376%0.761SS**  trans-146.5112.5148.4-176.20000110.6
1127S31.3Very low28.9Very low114 Ų114137.1 Ų137.180%0.79775%0.754SS**  trans-164.391.6164.857.40000107.8
1128G26.9Very low28.7Very low73 Ų73139.3 Ų139.375%0.75376%0.763SS**  trans-88.1148.7-17300000113.8
1129K31.8Very low28.8Very low191 Ų191138.2 Ų138.283%0.8376%0.761SS**  trans-167.1132.4138.4-110.5170.6-177.1-1800112.9
1130L26.5Very low28.7Very low140 Ų140135 Ų13573%0.73375%0.751SS**  trans68.5125.9145.3-70160.6000121.6
1131Q28.6Very low28.6Very low159 Ų159138.4 Ų138.474%0.74375%0.752SS**  trans97.2116.3134.7-78.1177.5-900122.7
1132I29.6Very low28.6Very low134 Ų134139 Ų13969%0.68775%0.752SS**  trans91.688.5131.9-63.2167.8000119.7
1133T27.9Very low28.4Very low122 Ų122136.3 Ų136.375%0.74874%0.742SS**  trans62130.7132.164.80000125.4
1134S28.3Very low28.3Very low96 Ų96137.6 Ų137.667%0.67174%0.74SS**  85.9102128.2650000124.3
1135N29.7Very low28Very low140 Ų140134 Ų13475%0.74973%0.733SS**  86.3117.2111.4-73.59.5000125.8
1136M28.3Very low27.7Very low149 Ų149134.3 Ų134.373%0.73473%0.728SS**  90.2105.2125.3-62.6-63.7178.300124.8
1137K28.3Very low27.7Very low148 Ų148134.2 Ų134.264%0.64372%0.722SS**  59.8128.9118.8-83.3-179.3156.6-105.30125.5
1138E28.5Very low27.5Very low140 Ų140134.1 Ų134.165%0.65472%0.717SS**  trans71.4150.5130.2-64.5174162.700120.7
1139T30.3Very low27.4Very low119 Ų119136.8 Ų136.873%0.7371%0.714SS**  cis-167.3156.4-10.423.40000114
1140S27.9Very low27.3Very low85 Ų85132.5 Ų132.559%0.59470%0.704SS**  trans95.6140.2135-1010000127.4
1141F25Very low27.3Very low177 Ų177131.7 Ų131.778%0.77671%0.71SS**  trans72.8119.3147.7-59.7-49.3000125.6
1142K26.8Very low27.4Very low180 Ų180132.4 Ų132.478%0.78371%0.71SS**  40.7143.8124.5-66.7-169.8176.5-172.60121.1
1143T24.5Very low27.2Very low105 Ų105133.2 Ų133.264%0.64472%0.721SS**  cis-158.6169.17.1-0.60000112.9
1144D25Very low27.1Very low141 Ų141133.2 Ų133.275%0.75472%0.721SS**  trans79.1142150.5-56.8-22.8000124.1
1145E25.5Very low27Very low160 Ų160136 Ų13675%0.74873%0.726SS**  trans57.298.9151.2-65.4-80.4134.800121.8
1146N25Very low27.2Very low125 Ų125134.4 Ų134.467%0.66872%0.724SS**  67.1118.9121.5-74.7-35.9000123.9
1147V25.2Very low27.3Very low120 Ų120135 Ų13573%0.72773%0.729SS**  93.498.9123.6170.10000120.4
1148V27.5Very low27.4Very low112 Ų112135.7 Ų135.768%0.67973%0.733SS**  85.398.4123.1167.30000120.8
1149N26Very low27.4Very low130 Ų130136.5 Ų136.570%0.69574%0.738SS**  115.1115.3110.1-88.310.7000123.8
1150T28.1Very low27.3Very low101 Ų101140.9 Ų140.962%0.6274%0.74SS**  70.9128.6129.562.40000122.5
1151S26.6Very low27.3Very low122 Ų122146.2 Ų146.285%0.85375%0.748SS**  -113.7117127.4-68.40000106.9
1152K30.9Very low27.3Very low175 Ų175144.4 Ų144.476%0.76175%0.751SS**  72.493.464.4-71-174.6177.2175.50114.2
1153V25.4Very low27.4Very low150 Ų150140.6 Ų140.691%0.90975%0.754SS**  trans-135.6118.3138.5-179.60000107.2
1154V25.5Very low27.4Very low123 Ų123141.2 Ų141.275%0.74576%0.762SS**  trans-153169179.4-1680000107.6
1155I27.6Very low27.7Very low153 Ų153141.2 Ų141.279%0.78577%0.767SS**  trans87.2140.3167.9-54.8174.2000113.5
1156P32.5Very low27.7Very low108 Ų108138.2 Ų138.270%0.70176%0.764SS**  cis-115.9160.94.816.16.9000116.6
1157I30.2Very low27.9Very low162 Ų162144.2 Ų144.283%0.83178%0.777SS**  trans-100.4140.7158-65.4166.8000107.6
1158H31.1Very low27.9Very low161 Ų161145 Ų14575%0.74578%0.782SS**  trans-138.6104.2159.5-106-68.5000113.4
1159Q29.1Very low28.1Very low158 Ų158147.8 Ų147.874%0.73879%0.791SS**  trans23.8120.3137-59.2165.5-20.700119.3
1160R28.7Very low28.1Very low210 Ų210144.6 Ų144.679%0.79279%0.79SS**  -171.5133.3114-106.1174.6-179.4-174.52.5114.9
1161R27.7Very low28Very low198 Ų198147.8 Ų147.875%0.74780%0.801SS**  trans53108.1142.6-68174.5177.2173.8-3120.5
1162T25.1Very low28.1Very low138 Ų138148.2 Ų148.285%0.84780%0.798SS**  9.8117119.955.60000118.5
1163A27.5Very low28Very low101 Ų101148.9 Ų148.984%0.83580%0.801SS**  trans-166.8144.3138.700000111.3
1164S25.1Very low28.3Very low117 Ų117147.2 Ų147.282%0.81879%0.793SS**  trans-88.4137.1169.848.50000111.4
1165V31.1Very low28.2Very low141 Ų141148 Ų14886%0.85579%0.793SS**  trans-141.1122.7162.3-177.80000110
1166S24.9Very low28.4Very low98 Ų98150.4 Ų150.469%0.68580%0.799SS**  trans-77160.1178.5-38.70000112.9
1167R31.1Very low28Very low250 Ų250152.8 Ų152.894%0.94381%0.805SS**  trans-128.785.4149.6-71-162.9-171.1-1656.4111.3
1168T24Very low27.8Very low137 Ų137149 Ų14984%0.8481%0.806SS**  trans-102.388.7162.8-53.80000108.6
1169I31.3Very low27.4Very low170 Ų170145 Ų14587%0.87281%0.808SS**  trans-143.8129.9166-52.3178.9000106.2
1170G27.3Very low27.4Very low64 Ų64144.9 Ų144.966%0.6681%0.808SS**  cis-172.6156.8-4.600000111.5V1172G1170-V1172 PolarHBondContact O-N 3.31Å
1171I25.9Very low27.2Very low168 Ų168144.5 Ų144.586%0.86281%0.806SS**  trans-73.7124.8-179-62.7164.9000110.2
1172V28.1Very low27.1Very low130 Ų130145.7 Ų145.779%0.78881%0.811SS**  trans-137105.6154.5-175.10000108.9G1170G1170-V1172 PolarHBondContact O-N 3.31Å
1173K29.4Very low27.3Very low189 Ų189147.9 Ų147.982%0.82281%0.811SS**  trans-84.5150.9150.1-75.1-172.9176.5-176.50107.6
1174P30.5Very low27.2Very low115 Ų115147.3 Ų147.375%0.74780%0.797SS**  -135.6126.7126.533.8-21.9000112.4
1175N24.6Very low27.2Very low140 Ų140149.6 Ų149.675%0.74980%0.795SS**  trans-89.8132.9149.1-82.610.2000107.2
1176F30.9Very low27Very low204 Ų204149.3 Ų149.390%0.89579%0.789SS**  trans-152.6148.4140.6-108.5-71.9000110.1
1177N25.5Very low27.1Very low158 Ų158153.4 Ų153.485%0.84580%0.797SS**  trans-79.9154.8-171.8-57.1-39.6000111.9
1178G24.9Very low26.9Very low81 Ų81148 Ų14884%0.83579%0.786SS**  trans-149.1-50.4-176.400000117.8
1179G23.2Very low27.1Very low77 Ų77146.9 Ų146.979%0.79478%0.784SS**  trans78.2-168.8174.800000117.2
1180Q28.9Very low26.9Very low157 Ų157146.7 Ų146.773%0.73478%0.784SS**  trans6589.4179.3-63-66.60.100119.8
1181R23.7Very low26.9Very low201 Ų201151.9 Ų151.976%0.75880%0.796SS**  44.7119.9124.9-62.9-178.5-179166.8-1.1121.3
1182R25.4Very low27Very low224 Ų224151.8 Ų151.885%0.84580%0.797SS**  trans52.7110.4130.6-55.4177.7-174.4173.1-0.3119
1183H29.8Very low27.1Very low183 Ų183151 Ų15185%0.84779%0.792SS**  -152.4177.9111.8-129.3-89.9000113
1184T24.9Very low27.1Very low90 Ų90151.5 Ų151.555%0.55279%0.794SS**  trans-91165.8-177.248.30000113.2
1185Q26.1Very low26.9Very low164 Ų164151.4 Ų151.477%0.76680%0.796SS**  trans70.2124.5170.5-62.2144-98.100113.2
1186D26.7Very low27.2Very low135 Ų135153.6 Ų153.672%0.72280%0.802SS**  cis-152.3139.536-81.5-47.9000112.7
1187E27.5Very low26.9Very low184 Ų184148.2 Ų148.286%0.8679%0.79SS**  trans-146.767.8170-94.7-67.1155.100108.5
1188L25.5Very low27Very low138 Ų138149 Ų14972%0.72379%0.788SS**  trans-138.945.8178.3-79.7-179.9000111.5
1189S29.1Very low27.2Very low112 Ų112150.7 Ų150.778%0.78378%0.782SS**  trans-13643.6-170.6-57.30000114.2
1190L28Very low27.6Very low167 Ų167154.4 Ų154.487%0.87478%0.784SS**SBendtrans-151.639.2176.3-120.1168.4000116.3
1191L25.5Very low27.6Very low173 Ų173155.4 Ų155.491%0.90679%0.788SS**  trans-140.6103.8155.5-77.3-179.2000109
1192D29.1Very low27.7Very low165 Ų165152.9 Ų152.988%0.88280%0.795SS**  trans-135.8154.8163.8-1601.3000109.7
1193V29.3Very low27.7Very low113 Ų113145.7 Ų145.769%0.68579%0.791SS**  trans-110.3131.8-154.4175.20000112.1
1194K29.3Very low27.5Very low200 Ų200142.3 Ų142.387%0.8779%0.788SS**  trans-158.6114.7141.6-110.6141.6-170.1167.10114.2
1195S25.9Very low27.7Very low113 Ų113143.6 Ų143.679%0.7980%0.801SS**  trans-114.5104156.941.20000108.9
1196Q32.4Very low27.9Very low187 Ų187139.2 Ų139.287%0.87480%0.8SS**  trans-133.6150.7159-79.5-172.4-2800107.6
1197S25.1Very low28.1Very low91 Ų91139 Ų13964%0.63680%0.799SS**  trans-132.9159.6-157.955.70000114
1198H27.1Very low28.2Very low173 Ų173138.5 Ų138.580%0.80180%0.801SS**  trans71.2136.8177.1-40.7-70.3000113.2
1199T28Very low28.6Very low117 Ų117138.9 Ų138.972%0.71880%0.797SS**  cis-145.7145.543.139.30000116.4
1200N31.4Very low28.7Very low155 Ų155141.4 Ų141.483%0.82980%0.801SS**  trans74.7159145.5-59.24.6000120
1201E29.3Very low29.2Very low179 Ų179141.8 Ų141.884%0.83680%0.796SS**  trans-118.2147.6-156.2-51.7173.8153.600111.8
1202T26.7Very low29.8Very low147 Ų147139.7 Ų139.790%0.90279%0.79SS**  169.9147.6121.631.30000111.1
1203G25.5Very low30.1Very low74 Ų74140 Ų14076%0.76379%0.786SS**  trans100.991.9155.900000119.1
1204S25.8Very low30.5Very low111 Ų111141.9 Ų141.978%0.77679%0.791SS**  trans57.6130.1142.6-147.80000122.4
1205S28.7Very low30.8Very low118 Ų118140.1 Ų140.183%0.82579%0.786SS**  trans5985.5147.3-53.50000118.7
1206G29.4Very low32.3Very low72 Ų72138.1 Ų138.174%0.74277%0.769SS**  trans-167.6151.4165.800000114.7
1207D31.5Very low34.4Very low130 Ų130138.4 Ų138.470%0.69577%0.767SS**  trans71.284.9160.2-60.4-3.1000120.5K1209D1207-K1209 VanDerWaalsContact C-N 3.25Å; D1207-K1209 HydrophobicContact CB-CG 4.26Å; D1207-K1209 PolarHBondContact O-N 3.3Å
1208L30.7Very low37.5Very low174 Ų174136.6 Ų136.691%0.91176%0.755SS**  trans-61.886.3147.4-75.9167.1000110L1210L1208-L1210 PolarHBondContact O-N 3.39Å
1209K32.8Very low40.8Very low145 Ų145129 Ų12963%0.6372%0.72SS**  trans-66.594.7-179.9-87.3160.1176.11640112.1D1207 F1211D1207-K1209 VanDerWaalsContact C-N 3.25Å; D1207-K1209 HydrophobicContact CB-CG 4.26Å; D1207-K1209 PolarHBondContact O-N 3.3Å; K1209-F1211 HydrophobicContact CB-CD2 3.87Å; K1209-F1211 HydrophobicContact CB-CE2 3.79Å; K1209-F1211 HydrophobicContact CB-CZ 4.46Å; K1209-F1211 HydrophobicContact CD-CE2 3.89Å; K1209-F1211 HydrophobicContact CD-CZ 4.25Å; K1209-F1211 HydrophobicContact CG-CE2 3.99Å; K1209-F1211 HydrophobicContact CG-CZ 4.29Å; K1209-F1211 PolarHBondContact O-N 2.7Å
1210L31.5Very low44Very low166 Ų166127.2 Ų127.287%0.86970%0.7SS**  trans-69.160.3171-67.9174.1000112.1L1208 V1212L1208-L1210 PolarHBondContact O-N 3.39Å; L1210-V1212 PolarHBondContact O-N 2.98Å
1211F38.3Very low46.9Very low175 Ų175129.9 Ų129.977%0.76870%0.699SS**  trans-73.889.8168.9-69.3-52.3000109.9K1209 Q1213K1209-F1211 HydrophobicContact CB-CD2 3.87Å; K1209-F1211 HydrophobicContact CB-CE2 3.79Å; K1209-F1211 HydrophobicContact CB-CZ 4.46Å; K1209-F1211 HydrophobicContact CD-CE2 3.89Å; K1209-F1211 HydrophobicContact CD-CZ 4.25Å; K1209-F1211 HydrophobicContact CG-CE2 3.99Å; K1209-F1211 HydrophobicContact CG-CZ 4.29Å; K1209-F1211 PolarHBondContact O-N 2.7Å; F1211-Q1213 PolarHBondContact O-N 2.96Å
1212V37.8Very low50.1Low129 Ų129122.7 Ų122.778%0.78267%0.67SS**  trans-61104.5158.4178.10000107L1210 L1214L1210-V1212 PolarHBondContact O-N 2.98Å; V1212-L1214 PolarHBondContact O-N 3.47Å; V1212-L1214 VanDerWaalsContact O-N 3.12Å
1213Q36.6Very low53.4Low171 Ų171115.7 Ų115.780%0.79963%0.627SS**  trans-62118.4177.2-173.1172.811.700108.6F1211 Q1215F1211-Q1213 PolarHBondContact O-N 2.96Å; Q1213-Q1215 PolarHBondContact O-N 3.26Å
1214L35.8Very low56.7Low153 Ų153113.8 Ų113.880%0.80160%0.602SS**  trans-58.3100.8-176.6-71.5171.5000110.4V1212 T1216V1212-L1214 PolarHBondContact O-N 3.47Å; V1212-L1214 VanDerWaalsContact O-N 3.12Å; L1214-T1216 PolarHBondContact O-N 3.34Å
1215Q36.4Very low60Low162 Ų162110.9 Ų110.976%0.75758%0.578SS**  trans-64.197.1175.7-79.1-74.6-2.600108.9Q1213 K1217Q1213-Q1215 PolarHBondContact O-N 3.26Å; Q1215-K1217 PolarHBondContact O-N 2.96Å
1216T56.8Low63.2Low71 Ų71105.2 Ų105.244%0.43654%0.538SS..  trans-58.1105.5-178.640.10000110.7L1214 S1218 K1254L1214-T1216 PolarHBondContact O-N 3.34Å; T1216-S1218 PolarHBondContact O-N 3.15Å; T1216-K1254 WeakPolarHBondContact OG1-CD 3.34Å; T1216-K1254 PolarHBondContact OG1-NZ 3.45Å; T1216-K1254 VanDerWaalsContact OG1-NZ 3.16Å
1217K78Confident66.3Low193 Ų193101.8 Ų101.884%0.83950%0.503SS*.  trans-71.4110.7-173-166.9173.6-173.4173.40109.5Q1215 H1255Q1215-K1217 PolarHBondContact O-N 2.96Å; K1217-H1255 PolarHBondContact O-CE1 3.25Å
1218S90.3Very high69.3Low53 Ų5397.4 Ų97.437%0.37148%0.479SS..  trans-63.6139.8-175.7177.60000112.5T1216 R1220 K1254T1216-S1218 PolarHBondContact O-N 3.15Å; S1218-R1220 WeakPolarHBondContact OG-CB 3.49Å; S1218-R1220 PolarHBondContact OG-N 3.36Å; S1218-R1220 VanDerWaalsContact OG-N 3.13Å; S1218-K1254 WeakPolarHBondContact CA-O 3.41Å; S1218-K1254 WeakPolarHBondContact CB-O 3.47Å; S1218-K1254 PolarHBondContact OG-O 3.35Å
1219N94.6Very high72.2Confident15 Ų1595.1 Ų95.18%0.0846%0.46CS..  trans-90.15.417277.9-21.3000113.7R1221 A1222 I1223 K1254 H1255 F1256 D1322N1219-R1221 PolarHBondContact O-N 3.5Å; N1219-A1222 WeakPolarHBondContact O-CA 3.25Å; N1219-A1222 WeakPolarHBondContact O-CB 3.33Å; N1219-A1222 PolarHBondContact O-N 3.02Å; N1219-I1223 HydrophobicContact CB-CG1 4.5Å; N1219-I1223 WeakPolarHBondContact ND2-CG1 3.19Å; N1219-I1223 WeakPolarHBondContact O-CG1 3.17Å; N1219-I1223 PolarHBondContact O-N 3.31Å; N1219-K1254 PolarHBondContact N-O 3.42Å; N1219-H1255 WeakPolarHBondContact OD1-CA 3.46Å; N1219-F1256 PolarHBondContact ND2-O 2.79Å; N1219-F1256 PolarHBondContact OD1-N 3.43Å; N1219-D1322 PolarHBondContact ND2-OD1 3.07Å
1220R95.4Very high75Confident79 Ų7990 Ų9030%0.29844%0.442SS..Hα-helixtrans-46.8-42.2-178.6-174.3-177.1-63.9-118.5-4.3113.2S1218 I1223 S1224 L1248 G1249 S1251 G1253 F1256S1218-R1220 WeakPolarHBondContact OG-CB 3.49Å; S1218-R1220 PolarHBondContact OG-N 3.36Å; S1218-R1220 VanDerWaalsContact OG-N 3.13Å; R1220-I1223 PolarHBondContact O-N 3.05Å; R1220-S1224 WeakPolarHBondContact O-CB 3.46Å; R1220-S1224 PolarHBondContact O-N 2.99Å; R1220-L1248 HydrophobicContact CG-CD1 4.31Å; R1220-L1248 HydrophobicContact CG-CD2 4.18Å; R1220-L1248 HydrophobicContact CG-CG 4.17Å; R1220-L1248 PolarHBondContact NH1-O 3.35Å; R1220-G1249 PolarHBondContact NH1-O 2.93Å; R1220-S1251 PolarHBondContact NH1-O 2.97Å; R1220-S1251 PolarHBondContact NH2-O 3.28Å; R1220-G1253 PolarHBondContact NH2-O 3.34Å; R1220-F1256 HydrophobicContact CB-CD2 4.28Å; R1220-F1256 HydrophobicContact CB-CE2 4.03Å; R1220-F1256 HydrophobicContact CG-CE2 4.16Å
1221R94Very high77.9Confident210 Ų21082.7 Ų82.779%0.79241%0.405SS*.Hα-helixtrans-70.9-34.3179.3-157.8175-169.8178.34.1113N1219 N1225N1219-R1221 PolarHBondContact O-N 3.5Å; R1221-N1225 WeakPolarHBondContact O-CB 3.27Å; R1221-N1225 PolarHBondContact O-N 3.2Å; R1221-N1225 VanDerWaalsContact O-N 3.09Å; R1221-N1225 PolarHBondContact O-ND2 3.01Å
1222A94.5Very high80.5Confident29 Ų2974.6 Ų74.624%0.2437%0.369CS..Hα-helixtrans-69.1-42.9173.400000111.1N1219 N1225 A1226 Y1301N1219-A1222 WeakPolarHBondContact O-CA 3.25Å; N1219-A1222 WeakPolarHBondContact O-CB 3.33Å; N1219-A1222 PolarHBondContact O-N 3.02Å; A1222-N1225 WeakPolarHBondContact O-CB 3.33Å; A1222-N1225 PolarHBondContact O-N 3.16Å; A1222-A1226 WeakPolarHBondContact O-CB 3.18Å; A1222-A1226 PolarHBondContact O-N 3.04Å; A1222-Y1301 HydrophobicContact CB-CD1 4.46Å; A1222-Y1301 WeakPolarHBondContact O-CD1 3.39Å
1223I96.2Very high83Confident0 Ų070.5 Ų70.50%035%0.349CS..Hα-helixtrans-66.4-43.4178.5-65.7-75.8000111.4N1219 R1220 N1225 A1226 L1227 L1248 F1256 I1258 L1269 D1322N1219-I1223 HydrophobicContact CB-CG1 4.5Å; N1219-I1223 WeakPolarHBondContact ND2-CG1 3.19Å; N1219-I1223 WeakPolarHBondContact O-CG1 3.17Å; N1219-I1223 PolarHBondContact O-N 3.31Å; R1220-I1223 PolarHBondContact O-N 3.05Å; I1223-N1225 PolarHBondContact O-N 2.86Å; I1223-A1226 WeakPolarHBondContact O-CB 3.4Å; I1223-A1226 PolarHBondContact O-N 3.05Å; I1223-L1227 HydrophobicContact CG2-CD1 4.46Å; I1223-L1227 WeakPolarHBondContact O-CG 3.5Å; I1223-L1227 PolarHBondContact O-N 3.25Å; I1223-L1248 HydrophobicContact CG2-CD1 4.25Å; I1223-L1248 HydrophobicContact CG2-CD2 4.22Å; I1223-F1256 HydrophobicContact CB-CB 4.49Å; I1223-F1256 HydrophobicContact CD1-CB 4.49Å; I1223-F1256 WeakPolarHBondContact CD1-O 3.31Å; I1223-F1256 HydrophobicContact CG1-CB 4.07Å; I1223-F1256 HydrophobicContact CG2-CB 4.13Å; I1223-I1258 HydrophobicContact CD1-CD1 4.17Å; I1223-I1258 HydrophobicContact CD1-CG1 4.17Å; I1223-I1258 HydrophobicContact CG2-CD1 4.21Å; I1223-I1258 HydrophobicContact CG2-CG1 4.31Å; I1223-L1269 HydrophobicContact CG2-CD1 3.88Å; I1223-D1322 HydrophobicContact CD1-CB 3.88Å; I1223-D1322 WeakPolarHBondContact CD1-O 3.45Å
1224S95.6Very high85.5Confident33 Ų3364.8 Ų64.823%0.23134%0.336CS..Hα-helixtrans-59.6-43.5171.7179.10000111.9R1220 A1226 L1227 N1228R1220-S1224 WeakPolarHBondContact O-CB 3.46Å; R1220-S1224 PolarHBondContact O-N 2.99Å; S1224-A1226 PolarHBondContact O-N 3.14Å; S1224-L1227 PolarHBondContact O-N 3.33Å; S1224-N1228 WeakPolarHBondContact O-CB 3.46Å; S1224-N1228 PolarHBondContact O-N 2.85Å; S1224-N1228 PolarHBondContact O-ND2 3.38Å; S1224-N1228 PolarHBondContact OG-ND2 2.66Å
1225N95.3Very high88Confident50 Ų5062.8 Ų62.827%0.26733%0.332SS..Hα-helixtrans-62.4-40.9174-74.4-19.2000112.2R1221 A1222 I1223 N1228 Y1229 Y1301R1221-N1225 WeakPolarHBondContact O-CB 3.27Å; R1221-N1225 PolarHBondContact O-N 3.2Å; R1221-N1225 VanDerWaalsContact O-N 3.09Å; R1221-N1225 PolarHBondContact O-ND2 3.01Å; A1222-N1225 WeakPolarHBondContact O-CB 3.33Å; A1222-N1225 PolarHBondContact O-N 3.16Å; I1223-N1225 PolarHBondContact O-N 2.86Å; N1225-N1228 PolarHBondContact O-N 2.79Å; N1225-Y1229 HydrophobicContact CB-CD2 4.24Å; N1225-Y1229 HydrophobicContact CB-CE2 4.49Å; N1225-Y1229 VanDerWaalsContact O-CD2 3.27Å; N1225-Y1229 WeakPolarHBondContact O-CD2 3.3Å; N1225-Y1229 PolarHBondContact O-N 2.6Å; N1225-Y1301 HydrophobicContact CB-CE1 3.72Å; N1225-Y1301 PolarHBondContact O-OH 3.22Å
1226A95.8Very high90.6Very high0 Ų061.4 Ų61.40%033%0.334CS..Hα-helixtrans-63.9-43.1178.200000112.2A1222 I1223 S1224 C1230 C1231 I1258 Y1301 F1308A1222-A1226 WeakPolarHBondContact O-CB 3.18Å; A1222-A1226 PolarHBondContact O-N 3.04Å; I1223-A1226 WeakPolarHBondContact O-CB 3.4Å; I1223-A1226 PolarHBondContact O-N 3.05Å; S1224-A1226 PolarHBondContact O-N 3.14Å; A1226-C1230 WeakPolarHBondContact O-CA 3.37Å; A1226-C1230 WeakPolarHBondContact O-CB 2.95Å; A1226-C1230 PolarHBondContact O-N 3.08Å; A1226-C1231 PolarHBondContact O-N 2.87Å; A1226-C1231 PolarHBondContact O-SG 2.91Å; A1226-I1258 HydrophobicContact CB-CD1 4.03Å; A1226-Y1301 HydrophobicContact CB-CD1 4.11Å; A1226-Y1301 HydrophobicContact CB-CD2 3.54Å; A1226-Y1301 HydrophobicContact CB-CE1 4.29Å; A1226-Y1301 HydrophobicContact CB-CE2 3.77Å; A1226-Y1301 HydrophobicContact CB-CG 3.72Å; A1226-F1308 HydrophobicContact CB-CE1 4.41Å; A1226-F1308 HydrophobicContact CB-CZ 3.81Å
1227L95.3Very high92.4Very high0 Ų060.9 Ų60.90%033%0.329CS..Iπ-helixtrans-62.7-46.5173-66.1171.7000111I1223 S1224 C1231 L1232 A1244 L1245 I1258 Y1266I1223-L1227 HydrophobicContact CG2-CD1 4.46Å; I1223-L1227 WeakPolarHBondContact O-CG 3.5Å; I1223-L1227 PolarHBondContact O-N 3.25Å; S1224-L1227 PolarHBondContact O-N 3.33Å; L1227-C1231 HydrophobicContact CD2-CB 4.39Å; L1227-L1232 HydrophobicContact CD2-CD1 4Å; L1227-L1232 CarbonylContact O-C 3.25Å; L1227-L1232 WeakPolarHBondContact O-CA 3.39Å; L1227-L1232 WeakPolarHBondContact O-CB 3.37Å; L1227-L1232 PolarHBondContact O-N 3.12Å; L1227-L1232 VanDerWaalsContact O-N 3.1Å; L1227-A1244 HydrophobicContact CD1-CB 4.18Å; L1227-A1244 HydrophobicContact CD2-CB 4.42Å; L1227-L1245 HydrophobicContact CB-CD2 4.29Å; L1227-L1245 HydrophobicContact CD1-CD2 4.02Å; L1227-I1258 HydrophobicContact CD2-CD1 3.88Å; L1227-I1258 HydrophobicContact CD2-CG1 4.4Å; L1227-I1258 HydrophobicContact CG-CD1 4.07Å; L1227-Y1266 HydrophobicContact CD2-CD2 3.81Å; L1227-Y1266 HydrophobicContact CD2-CE2 3.83Å
1228N93.8Very high93Very high37 Ų3756.6 Ų56.620%0.19831%0.312CS..Iπ-helixtrans-63.9-40.8-177.5-90.5-78000114.7S1224 N1225 K1241S1224-N1228 WeakPolarHBondContact O-CB 3.46Å; S1224-N1228 PolarHBondContact O-N 2.85Å; S1224-N1228 PolarHBondContact O-ND2 3.38Å; S1224-N1228 PolarHBondContact OG-ND2 2.66Å; N1225-N1228 PolarHBondContact O-N 2.79Å; N1228-K1241 WeakPolarHBondContact OD1-CE 3.32Å; N1228-K1241 PolarHBondContact OD1-NZ 2.92Å
1229Y91.8Very high93.1Very high126 Ų12658.9 Ų58.949%0.49432%0.324SS..Iπ-helixtrans-118.6-11.9-166.3-56.9-60.6000115.3N1225 K1306N1225-Y1229 HydrophobicContact CB-CD2 4.24Å; N1225-Y1229 HydrophobicContact CB-CE2 4.49Å; N1225-Y1229 VanDerWaalsContact O-CD2 3.27Å; N1225-Y1229 WeakPolarHBondContact O-CD2 3.3Å; N1225-Y1229 PolarHBondContact O-N 2.6Å; Y1229-K1306 HydrophobicContact CG-CD 4.42Å
1230C92.1Very high93Very high38 Ų3862.9 Ų62.926%0.25734%0.343SS..Iπ-helixtrans-124.5-57-176.9-169.30000112.6A1226 Y1301 F1308A1226-C1230 WeakPolarHBondContact O-CA 3.37Å; A1226-C1230 WeakPolarHBondContact O-CB 2.95Å; A1226-C1230 PolarHBondContact O-N 3.08Å; C1230-Y1301 HydrophobicContact CB-CE2 4Å; C1230-F1308 HydrophobicContact CB-CE2 4.5Å
1231C91.6Very high93Very high13 Ų1361.5 Ų61.59%0.08834%0.339CS..Iπ-helixtrans-82.9-38.4-168.8-40.30000113.8A1226 L1227 F1308A1226-C1231 PolarHBondContact O-N 2.87Å; A1226-C1231 PolarHBondContact O-SG 2.91Å; L1227-C1231 HydrophobicContact CD2-CB 4.39Å; C1231-F1308 VanDerWaalsContact SG-CE2 3.52Å
1232L92.9Very high93Very high4 Ų458 Ų582%0.02133%0.326CS..SBendtrans-133.538.6-171.5-61.4173.3000110.8L1227 N1237 M1240 K1241 A1244 Y1266L1227-L1232 HydrophobicContact CD2-CD1 4Å; L1227-L1232 CarbonylContact O-C 3.25Å; L1227-L1232 WeakPolarHBondContact O-CA 3.39Å; L1227-L1232 WeakPolarHBondContact O-CB 3.37Å; L1227-L1232 PolarHBondContact O-N 3.12Å; L1227-L1232 VanDerWaalsContact O-N 3.1Å; L1232-N1237 HydrophobicContact CB-CB 4.12Å; L1232-N1237 HydrophobicContact CD2-CB 4.28Å; L1232-M1240 HydrophobicContact CD1-CG 4.22Å; L1232-M1240 HydrophobicContact CD2-CB 4.42Å; L1232-M1240 HydrophobicContact CD2-CG 4.07Å; L1232-M1240 HydrophobicContact CD2-SD 3.81Å; L1232-K1241 HydrophobicContact CB-CB 3.99Å; L1232-K1241 HydrophobicContact CB-CG 4.41Å; L1232-K1241 HydrophobicContact CD1-CB 4.4Å; L1232-A1244 HydrophobicContact CD1-CB 3.95Å; L1232-Y1266 HydrophobicContact CD1-CD1 4.11Å; L1232-Y1266 HydrophobicContact CD1-CD2 4.47Å; L1232-Y1266 HydrophobicContact CD1-CE1 4.39Å; L1232-Y1266 HydrophobicContact CD1-CG 4.14Å; L1232-Y1266 HydrophobicContact CD2-CD1 4.14Å; L1232-Y1266 HydrophobicContact CD2-CG 4.2Å; L1232-Y1266 HydrophobicContact CG-CD1 4.49Å; L1232-Y1266 HydrophobicContact CG-CG 4.27Å
1233A89.5Confident93Very high44 Ų4460.2 Ų60.236%0.36434%0.337SS..  trans-72.4155.6175.800000112N1237A1233-N1237 PolarHBondContact O-ND2 2.92Å
1234G89.7Confident92.9Very high50 Ų5060.3 Ų60.352%0.51534%0.337SS..SBendtrans80.6161.3178.200000114.9V1236 N1237G1234-V1236 PolarHBondContact O-N 2.86Å; G1234-N1237 PolarHBondContact O-N 2.84Å
1235P89Confident92.9Very high112 Ų11260.9 Ų60.973%0.72734%0.337SS*.G310 helixtrans-68.5-30.1-170.426.7-35.1000113.7N1237 E1238P1235-N1237 PolarHBondContact O-N 3.01Å; P1235-N1237 VanDerWaalsContact O-N 3.16Å; P1235-E1238 VanDerWaalsContact O-CB 3.29Å; P1235-E1238 WeakPolarHBondContact O-CB 3.49Å; P1235-E1238 PolarHBondContact O-N 3.19Å
1236V91.2Very high92.9Very high133 Ų13363.8 Ų63.881%0.80635%0.349SS*.G310 helixtrans-59.5-28.7179.2-177.70000112.1G1234G1234-V1236 PolarHBondContact O-N 2.86Å
1237N92.6Very high92.8Very high60 Ų6064.9 Ų64.932%0.32136%0.359SS..G310 helixtrans-94.30.6-179.4-65.7-51.7000113.5L1232 A1233 G1234 P1235 T1239 M1240 K1241L1232-N1237 HydrophobicContact CB-CB 4.12Å; L1232-N1237 HydrophobicContact CD2-CB 4.28Å; A1233-N1237 PolarHBondContact O-ND2 2.92Å; G1234-N1237 PolarHBondContact O-N 2.84Å; P1235-N1237 PolarHBondContact O-N 3.01Å; P1235-N1237 VanDerWaalsContact O-N 3.16Å; N1237-T1239 PolarHBondContact O-N 2.84Å; N1237-M1240 PolarHBondContact O-N 3.44Å; N1237-K1241 VanDerWaalsContact O-CB 3.27Å; N1237-K1241 WeakPolarHBondContact O-CB 3.41Å; N1237-K1241 PolarHBondContact O-N 3.1Å
1238E91.5Very high92.9Very high102 Ų10265.2 Ų65.248%0.47736%0.36SS..Hα-helixtrans-63.5-36-164-170176.6-106.300114.1P1235 K1241 R1242P1235-E1238 VanDerWaalsContact O-CB 3.29Å; P1235-E1238 WeakPolarHBondContact O-CB 3.49Å; P1235-E1238 PolarHBondContact O-N 3.19Å; E1238-K1241 WeakPolarHBondContact O-CB 3.21Å; E1238-K1241 PolarHBondContact O-N 3.24Å; E1238-R1242 WeakPolarHBondContact O-CB 3.49Å; E1238-R1242 PolarHBondContact O-N 3.23Å; E1238-R1242 IonicContact OE2-NH2 3.5Å; E1238-R1242 PolarHBondContact OE2-NH2 3.47Å
1239T92.1Very high92.7Very high101 Ų10165.6 Ų65.662%0.6237%0.373SS*.Hα-helixtrans-63.6-52.4174.446.30000111.4N1237 K1241 R1242 T1243N1237-T1239 PolarHBondContact O-N 2.84Å; T1239-K1241 VanDerWaalsContact C-N 3.28Å; T1239-K1241 PolarHBondContact O-N 2.87Å; T1239-R1242 WeakPolarHBondContact O-CB 3.48Å; T1239-R1242 PolarHBondContact O-N 3.33Å; T1239-R1242 VanDerWaalsContact O-N 3.17Å; T1239-T1243 PolarHBondContact O-N 3.31Å; T1239-T1243 VanDerWaalsContact O-N 3.09Å; T1239-T1243 PolarHBondContact O-OG1 3.25Å
1240M92.3Very high92.7Very high99 Ų9963.6 Ų63.649%0.48838%0.377SS..Hα-helixtrans-62.6-35.8177.3-171.5176.4-63.900112L1232 N1237 A1244 Y1266L1232-M1240 HydrophobicContact CD1-CG 4.22Å; L1232-M1240 HydrophobicContact CD2-CB 4.42Å; L1232-M1240 HydrophobicContact CD2-CG 4.07Å; L1232-M1240 HydrophobicContact CD2-SD 3.81Å; N1237-M1240 PolarHBondContact O-N 3.44Å; M1240-A1244 VanDerWaalsContact O-CB 3.26Å; M1240-A1244 WeakPolarHBondContact O-CB 3.17Å; M1240-A1244 PolarHBondContact O-N 2.82Å; M1240-Y1266 HydrophobicContact CG-CD1 4.33Å; M1240-Y1266 HydrophobicContact CG-CE1 4.28Å; M1240-Y1266 HydrophobicContact SD-CD1 3.75Å; M1240-Y1266 HydrophobicContact SD-CE1 4.15Å
1241K95.1Very high92.5Very high51 Ų5162.4 Ų62.422%0.22237%0.369CS..Hα-helixtrans-61.3-46.6173.5178.6-175.2170.2177.10111.4N1228 L1232 N1237 E1238 T1239 A1244 L1245N1228-K1241 WeakPolarHBondContact OD1-CE 3.32Å; N1228-K1241 PolarHBondContact OD1-NZ 2.92Å; L1232-K1241 HydrophobicContact CB-CB 3.99Å; L1232-K1241 HydrophobicContact CB-CG 4.41Å; L1232-K1241 HydrophobicContact CD1-CB 4.4Å; N1237-K1241 VanDerWaalsContact O-CB 3.27Å; N1237-K1241 WeakPolarHBondContact O-CB 3.41Å; N1237-K1241 PolarHBondContact O-N 3.1Å; E1238-K1241 WeakPolarHBondContact O-CB 3.21Å; E1238-K1241 PolarHBondContact O-N 3.24Å; T1239-K1241 VanDerWaalsContact C-N 3.28Å; T1239-K1241 PolarHBondContact O-N 2.87Å; K1241-A1244 PolarHBondContact O-N 3Å; K1241-L1245 HydrophobicContact CG-CD1 3.9Å; K1241-L1245 WeakPolarHBondContact O-CB 3.38Å; K1241-L1245 WeakPolarHBondContact O-CG 3.4Å; K1241-L1245 PolarHBondContact O-N 3.36Å
1242R94.4Very high92.3Very high137 Ų13769.5 Ų69.552%0.51741%0.406SS..Hα-helixtrans-59.2-56.1177.5-162.9175.4-59.5144.87.3110E1238 T1239 A1244 L1245 E1246E1238-R1242 WeakPolarHBondContact O-CB 3.49Å; E1238-R1242 PolarHBondContact O-N 3.23Å; E1238-R1242 IonicContact OE2-NH2 3.5Å; E1238-R1242 PolarHBondContact OE2-NH2 3.47Å; T1239-R1242 WeakPolarHBondContact O-CB 3.48Å; T1239-R1242 PolarHBondContact O-N 3.33Å; T1239-R1242 VanDerWaalsContact O-N 3.17Å; R1242-A1244 PolarHBondContact O-N 3.5Å; R1242-A1244 VanDerWaalsContact O-N 3.14Å; R1242-L1245 PolarHBondContact O-N 2.86Å; R1242-E1246 WeakPolarHBondContact O-CB 3.36Å; R1242-E1246 PolarHBondContact O-N 2.99Å
1243T94.8Very high92Very high75 Ų7569.5 Ų69.546%0.4641%0.407SS..Hα-helixtrans-59.3-29.3178.7-44.90000113.8T1239 A1247T1239-T1243 PolarHBondContact O-N 3.31Å; T1239-T1243 VanDerWaalsContact O-N 3.09Å; T1239-T1243 PolarHBondContact O-OG1 3.25Å; T1243-A1247 WeakPolarHBondContact O-CB 3.04Å; T1243-A1247 PolarHBondContact O-N 3.34Å
1244A94.8Very high92.1Very high1 Ų171.9 Ų71.91%0.00841%0.409CS..Hα-helixtrans-78.6-33.417600000113.5L1227 L1232 M1240 K1241 R1242 L1248L1227-A1244 HydrophobicContact CD1-CB 4.18Å; L1227-A1244 HydrophobicContact CD2-CB 4.42Å; L1232-A1244 HydrophobicContact CD1-CB 3.95Å; M1240-A1244 VanDerWaalsContact O-CB 3.26Å; M1240-A1244 WeakPolarHBondContact O-CB 3.17Å; M1240-A1244 PolarHBondContact O-N 2.82Å; K1241-A1244 PolarHBondContact O-N 3Å; R1242-A1244 PolarHBondContact O-N 3.5Å; R1242-A1244 VanDerWaalsContact O-N 3.14Å; A1244-L1248 WeakPolarHBondContact O-CB 3.43Å; A1244-L1248 PolarHBondContact O-N 3.23Å
1245L95.8Very high92.3Very high45 Ų4570 Ų7024%0.23639%0.387CS..Hα-helixtrans-79.4-37.5176.6-70.4171.5000112.1L1227 K1241 R1242 L1248 G1249L1227-L1245 HydrophobicContact CB-CD2 4.29Å; L1227-L1245 HydrophobicContact CD1-CD2 4.02Å; K1241-L1245 HydrophobicContact CG-CD1 3.9Å; K1241-L1245 WeakPolarHBondContact O-CB 3.38Å; K1241-L1245 WeakPolarHBondContact O-CG 3.4Å; K1241-L1245 PolarHBondContact O-N 3.36Å; R1242-L1245 PolarHBondContact O-N 2.86Å; L1245-L1248 WeakPolarHBondContact O-CB 3.3Å; L1245-L1248 PolarHBondContact O-N 3.04Å; L1245-G1249 PolarHBondContact O-N 3.46Å
1246E95.7Very high92.7Very high111 Ų11164.7 Ų64.752%0.51935%0.352SS..Hα-helixtrans-61.7-52174.3-171170.1-113.100110.3R1242 L1248 G1249 C1250R1242-E1246 WeakPolarHBondContact O-CB 3.36Å; R1242-E1246 PolarHBondContact O-N 2.99Å; E1246-L1248 PolarHBondContact O-N 3.15Å; E1246-G1249 WeakPolarHBondContact O-CA 3.46Å; E1246-G1249 PolarHBondContact O-N 3.29Å; E1246-C1250 PolarHBondContact O-N 3.35Å; E1246-C1250 PolarHBondContact O-SG 3.14Å; E1246-C1250 VanDerWaalsContact O-SG 3.36Å
1247A93.9Very high92.9Very high24 Ų2458.4 Ų58.420%0.19831%0.314CS..Hα-helixtrans-65-23.3173.100000114.2T1243 S1251 I1282T1243-A1247 WeakPolarHBondContact O-CB 3.04Å; T1243-A1247 PolarHBondContact O-N 3.34Å; A1247-S1251 PolarHBondContact O-OG 3.02Å; A1247-I1282 HydrophobicContact CB-CG2 4.26Å; A1247-I1282 WeakPolarHBondContact O-CG2 3.5Å
1248L95.5Very high93.1Very high6 Ų655.6 Ų55.63%0.03130%0.299CS..Hα-helixtrans-72.7-42.2169.5-17968.1000110.4R1220 I1223 A1244 L1245 E1246 S1251 F1256 L1269R1220-L1248 HydrophobicContact CG-CD1 4.31Å; R1220-L1248 HydrophobicContact CG-CD2 4.18Å; R1220-L1248 HydrophobicContact CG-CG 4.17Å; R1220-L1248 PolarHBondContact NH1-O 3.35Å; I1223-L1248 HydrophobicContact CG2-CD1 4.25Å; I1223-L1248 HydrophobicContact CG2-CD2 4.22Å; A1244-L1248 WeakPolarHBondContact O-CB 3.43Å; A1244-L1248 PolarHBondContact O-N 3.23Å; L1245-L1248 WeakPolarHBondContact O-CB 3.3Å; L1245-L1248 PolarHBondContact O-N 3.04Å; E1246-L1248 PolarHBondContact O-N 3.15Å; L1248-S1251 PolarHBondContact O-OG 3.45Å; L1248-F1256 HydrophobicContact CD1-CB 4.32Å; L1248-F1256 HydrophobicContact CD1-CD1 3.77Å; L1248-F1256 HydrophobicContact CD1-CD2 3.56Å; L1248-F1256 HydrophobicContact CD1-CE1 3.85Å; L1248-F1256 HydrophobicContact CD1-CE2 3.63Å; L1248-F1256 HydrophobicContact CD1-CG 3.61Å; L1248-F1256 HydrophobicContact CD1-CZ 3.75Å; L1248-L1269 HydrophobicContact CB-CD2 3.91Å; L1248-L1269 HydrophobicContact CD1-CD2 4.11Å
1249G91.2Very high93.3Very high46 Ų4651.1 Ų51.147%0.47428%0.278SS..Hα-helixtrans-54-63.8175.800000112.2R1220 L1245 E1246 S1251R1220-G1249 PolarHBondContact NH1-O 2.93Å; L1245-G1249 PolarHBondContact O-N 3.46Å; E1246-G1249 WeakPolarHBondContact O-CA 3.46Å; E1246-G1249 PolarHBondContact O-N 3.29Å; G1249-S1251 PolarHBondContact O-N 3.5Å
1250C90.2Very high93.4Very high84 Ų8446.6 Ų46.657%0.56825%0.25SS*.THydrogen-bonded Turntrans-66.817-176.2-49.10000115.6E1246E1246-C1250 PolarHBondContact O-N 3.35Å; E1246-C1250 PolarHBondContact O-SG 3.14Å; E1246-C1250 VanDerWaalsContact O-SG 3.36Å
1251S89.2Confident93.1Very high13 Ų1346.8 Ų46.89%0.09125%0.249CC..  trans-124.5129-174.672.50000112.4R1220 A1247 L1248 G1249 G1253 F1256R1220-S1251 PolarHBondContact NH1-O 2.97Å; R1220-S1251 PolarHBondContact NH2-O 3.28Å; A1247-S1251 PolarHBondContact O-OG 3.02Å; L1248-S1251 PolarHBondContact O-OG 3.45Å; G1249-S1251 PolarHBondContact O-N 3.5Å; S1251-G1253 PolarHBondContact O-N 3.23Å; S1251-F1256 WeakPolarHBondContact OG-CE1 3.48Å; S1251-F1256 WeakPolarHBondContact OG-CZ 3.37Å
1252D87.1Confident92.3Very high161 Ų16147.4 Ų47.486%0.86126%0.259SS*.  trans-72.99.6-177-54.7-41.4000114.7
1253G86.2Confident91.5Very high4 Ų449.6 Ų49.64%0.04128%0.275CS..  trans-63.4139.3-177.400000112.7R1220 S1251 F1256 N1271R1220-G1253 PolarHBondContact NH2-O 3.34Å; S1251-G1253 PolarHBondContact O-N 3.23Å; G1253-F1256 VanDerWaalsContact C-CZ 3.47Å; G1253-F1256 WeakPolarHBondContact O-CE2 3.24Å; G1253-F1256 WeakPolarHBondContact O-CZ 3.38Å; G1253-N1271 WeakPolarHBondContact CA-OD1 3.46Å
1254K91.8Very high90.7Very high94 Ų9448.1 Ų48.141%0.40927%0.268SS..SBendtrans-88.9-38.8165.1-75.3-165.5172.4-1610112.2T1216 S1218 N1219T1216-K1254 WeakPolarHBondContact OG1-CD 3.34Å; T1216-K1254 PolarHBondContact OG1-NZ 3.45Å; T1216-K1254 VanDerWaalsContact OG1-NZ 3.16Å; S1218-K1254 WeakPolarHBondContact CA-O 3.41Å; S1218-K1254 WeakPolarHBondContact CB-O 3.47Å; S1218-K1254 PolarHBondContact OG-O 3.35Å; N1219-K1254 PolarHBondContact N-O 3.42Å
1255H94.5Very high90.4Very high12 Ų1254 Ų546%0.05630%0.295CS..EExtended strand (participates in β ladder)trans-119.2131.1-179.8-67.5-82.3000109.9K1217 N1219 N1271 Y1272K1217-H1255 PolarHBondContact O-CE1 3.25Å; N1219-H1255 WeakPolarHBondContact OD1-CA 3.46Å; H1255-N1271 PolarHBondContact O-OD1 2.88Å; H1255-Y1272 HydrophobicContact CB-CD1 4.26Å; H1255-Y1272 PolarHBondContact O-N 2.82Å
1256F96.4Very high90.3Very high0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-125.3148.6-179.7-57.8-82.2000110.4N1219 R1220 I1223 L1248 S1251 G1253 L1269 Y1270 N1271 I1282N1219-F1256 PolarHBondContact ND2-O 2.79Å; N1219-F1256 PolarHBondContact OD1-N 3.43Å; R1220-F1256 HydrophobicContact CB-CD2 4.28Å; R1220-F1256 HydrophobicContact CB-CE2 4.03Å; R1220-F1256 HydrophobicContact CG-CE2 4.16Å; I1223-F1256 HydrophobicContact CB-CB 4.49Å; I1223-F1256 HydrophobicContact CD1-CB 4.49Å; I1223-F1256 WeakPolarHBondContact CD1-O 3.31Å; I1223-F1256 HydrophobicContact CG1-CB 4.07Å; I1223-F1256 HydrophobicContact CG2-CB 4.13Å; L1248-F1256 HydrophobicContact CD1-CB 4.32Å; L1248-F1256 HydrophobicContact CD1-CD1 3.77Å; L1248-F1256 HydrophobicContact CD1-CD2 3.56Å; L1248-F1256 HydrophobicContact CD1-CE1 3.85Å; L1248-F1256 HydrophobicContact CD1-CE2 3.63Å; L1248-F1256 HydrophobicContact CD1-CG 3.61Å; L1248-F1256 HydrophobicContact CD1-CZ 3.75Å; S1251-F1256 WeakPolarHBondContact OG-CE1 3.48Å; S1251-F1256 WeakPolarHBondContact OG-CZ 3.37Å; G1253-F1256 VanDerWaalsContact C-CZ 3.47Å; G1253-F1256 WeakPolarHBondContact O-CE2 3.24Å; G1253-F1256 WeakPolarHBondContact O-CZ 3.38Å; F1256-L1269 HydrophobicContact CB-CD1 4.3Å; F1256-Y1270 CarbonylContact C-O 3.54Å; F1256-Y1270 VanDerWaalsContact CA-O 3.25Å; F1256-Y1270 WeakPolarHBondContact CA-O 3.44Å; F1256-N1271 HydrophobicContact CD1-CB 4.5Å; F1256-N1271 HydrophobicContact CE1-CB 4.48Å; F1256-I1282 HydrophobicContact CD1-CD1 3.61Å; F1256-I1282 HydrophobicContact CE1-CD1 3.56Å
1257I96Very high90.1Very high1 Ų148.1 Ų48.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-130131179.2-61.3179.3000108.8Y1270 Y1272 M1317 I1321 D1322 I1324I1257-Y1270 PolarHBondContact N-O 3.3Å; I1257-Y1270 PolarHBondContact O-N 2.97Å; I1257-Y1272 HydrophobicContact CD1-CD1 4.48Å; I1257-Y1272 HydrophobicContact CD1-CD2 3.99Å; I1257-Y1272 HydrophobicContact CD1-CG 3.83Å; I1257-M1317 HydrophobicContact CD1-CG 4.39Å; I1257-M1317 HydrophobicContact CD1-SD 3.96Å; I1257-I1321 HydrophobicContact CD1-CG2 4.47Å; I1257-D1322 WeakPolarHBondContact CA-O 3.38Å; I1257-I1324 HydrophobicContact CG2-CB 4.19Å; I1257-I1324 HydrophobicContact CG2-CD1 3.86Å; I1257-I1324 HydrophobicContact CG2-CG1 3.63Å; I1257-I1324 HydrophobicContact CG2-CG2 3.84Å
1258I96.4Very high90.2Very high0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-87.9129.9172.2-65.2167.2000109.6I1223 A1226 L1227 L1260 Y1266 L1269 F1308 D1322 A1323 I1324I1223-I1258 HydrophobicContact CD1-CD1 4.17Å; I1223-I1258 HydrophobicContact CD1-CG1 4.17Å; I1223-I1258 HydrophobicContact CG2-CD1 4.21Å; I1223-I1258 HydrophobicContact CG2-CG1 4.31Å; A1226-I1258 HydrophobicContact CB-CD1 4.03Å; L1227-I1258 HydrophobicContact CD2-CD1 3.88Å; L1227-I1258 HydrophobicContact CD2-CG1 4.4Å; L1227-I1258 HydrophobicContact CG-CD1 4.07Å; I1258-L1260 HydrophobicContact CG2-CD2 3.74Å; I1258-L1260 HydrophobicContact CG2-CG 4.4Å; I1258-Y1266 HydrophobicContact CG2-CD2 3.86Å; I1258-Y1266 HydrophobicContact CG2-CE2 4.41Å; I1258-L1269 HydrophobicContact CG1-CD1 4.08Å; I1258-F1308 HydrophobicContact CD1-CZ 4.19Å; I1258-D1322 PolarHBondContact N-O 2.89Å; I1258-A1323 HydrophobicContact CB-CB 4.06Å; I1258-A1323 CarbonylContact O-C 3.49Å; I1258-A1323 WeakPolarHBondContact O-CA 3.49Å; I1258-A1323 WeakPolarHBondContact O-CB 3.41Å; I1258-I1324 PolarHBondContact O-N 2.82Å
1259L95.9Very high90.2Very high8 Ų846.7 Ų46.74%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-85.5122.3169.5175.361.7000110S1267 G1268 Y1270 I1290 I1324 L1326L1259-S1267 WeakPolarHBondContact O-CB 3.33Å; L1259-S1267 PolarHBondContact O-N 3.17Å; L1259-G1268 PolarHBondContact N-O 3.15Å; L1259-G1268 PolarHBondContact O-N 3.37Å; L1259-Y1270 HydrophobicContact CB-CD2 4.04Å; L1259-Y1270 HydrophobicContact CB-CE2 3.49Å; L1259-Y1270 VanDerWaalsContact CB-CE2 3.49Å; L1259-Y1270 HydrophobicContact CD2-CE2 3.92Å; L1259-Y1270 WeakPolarHBondContact CD2-OH 3.43Å; L1259-Y1270 HydrophobicContact CG-CE2 4.34Å; L1259-I1290 HydrophobicContact CD1-CD1 4.4Å; L1259-I1290 HydrophobicContact CD2-CD1 4.44Å; L1259-I1324 HydrophobicContact CD1-CG1 4.36Å; L1259-L1326 HydrophobicContact CD1-CB 4.27Å; L1259-L1326 HydrophobicContact CD1-CD1 3.69Å; L1259-L1326 HydrophobicContact CD1-CG 3.56Å; L1259-L1326 HydrophobicContact CD2-CD1 4Å
1260L94.2Very high90.5Very high6 Ų644.5 Ų44.53%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-102.5140.8177.5-58.3177.6000111.5I1258 Q1265 Y1299 F1308 A1323 I1324I1258-L1260 HydrophobicContact CG2-CD2 3.74Å; I1258-L1260 HydrophobicContact CG2-CG 4.4Å; L1260-Q1265 WeakPolarHBondContact CA-O 3.32Å; L1260-Y1299 HydrophobicContact CD1-CD2 4.07Å; L1260-Y1299 HydrophobicContact CD1-CE2 4.32Å; L1260-F1308 HydrophobicContact CD1-CD2 4.27Å; L1260-F1308 HydrophobicContact CD1-CE2 4.46Å; L1260-F1308 HydrophobicContact CD1-CG 4.46Å; L1260-F1308 HydrophobicContact CD2-CE2 4.5Å; L1260-A1323 HydrophobicContact CD1-CB 3.85Å; L1260-A1323 HydrophobicContact CG-CB 4.1Å; L1260-I1324 PolarHBondContact N-O 3.4Å
1261K85.6Confident90.7Very high104 Ų10442.1 Ų42.145%0.45222%0.215SC..  trans-84.9-58.1175.2-105.8174.6-178.4170.60112Q1265 Q1325 R1331K1261-Q1265 PolarHBondContact N-O 3.17Å; K1261-Q1325 PolarHBondContact O-NE2 3.07Å; K1261-R1331 PolarHBondContact O-NH1 2.9Å; K1261-R1331 VanDerWaalsContact O-NH1 3.07Å
1262S79.6Confident91Very high63 Ų6342 Ų4244%0.44121%0.212SC..SBendtrans-167.8162.3170.7-164.30000108C1264 Q1265S1262-C1264 VanDerWaalsContact C-N 3.26Å; S1262-C1264 PolarHBondContact O-N 2.8Å; S1262-C1264 VanDerWaalsContact O-N 3.1Å; S1262-Q1265 WeakPolarHBondContact O-CB 3.35Å; S1262-Q1265 PolarHBondContact O-N 2.73Å
1263Q77Confident91.1Very high183 Ų18337.4 Ų37.486%0.85519%0.187SC*.THydrogen-bonded Turntrans44.545.7176.3-65.2-174.9-17.200114.4Q1265Q1263-Q1265 PolarHBondContact O-N 2.91Å
1264C77.2Confident91.1Very high45 Ų4540 Ų4030%0.30420%0.203SC..THydrogen-bonded Turntrans58.412.2-177.6-55.60000116.6S1262 Y1266 F1308S1262-C1264 VanDerWaalsContact C-N 3.26Å; S1262-C1264 PolarHBondContact O-N 2.8Å; S1262-C1264 VanDerWaalsContact O-N 3.1Å; C1264-Y1266 PolarHBondContact O-N 3.46Å; C1264-F1308 HydrophobicContact CB-CD2 4.27Å
1265Q88.1Confident90.7Very high123 Ų12343.5 Ų43.558%0.57523%0.225SC*.  trans-64.2122.2172-73.3-170.1-18.900111.3L1260 K1261 S1262 Q1263 S1267L1260-Q1265 WeakPolarHBondContact CA-O 3.32Å; K1261-Q1265 PolarHBondContact N-O 3.17Å; S1262-Q1265 WeakPolarHBondContact O-CB 3.35Å; S1262-Q1265 PolarHBondContact O-N 2.73Å; Q1263-Q1265 PolarHBondContact O-N 2.91Å; Q1265-S1267 PolarHBondContact O-N 3.24Å
1266Y93.7Very high90.3Very high24 Ų2447.8 Ų47.89%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-56.2130.6169.4179.6-103.5000111.1L1227 L1232 M1240 I1258 C1264 G1268 L1269L1227-Y1266 HydrophobicContact CD2-CD2 3.81Å; L1227-Y1266 HydrophobicContact CD2-CE2 3.83Å; L1232-Y1266 HydrophobicContact CD1-CD1 4.11Å; L1232-Y1266 HydrophobicContact CD1-CD2 4.47Å; L1232-Y1266 HydrophobicContact CD1-CE1 4.39Å; L1232-Y1266 HydrophobicContact CD1-CG 4.14Å; L1232-Y1266 HydrophobicContact CD2-CD1 4.14Å; L1232-Y1266 HydrophobicContact CD2-CG 4.2Å; L1232-Y1266 HydrophobicContact CG-CD1 4.49Å; L1232-Y1266 HydrophobicContact CG-CG 4.27Å; M1240-Y1266 HydrophobicContact CG-CD1 4.33Å; M1240-Y1266 HydrophobicContact CG-CE1 4.28Å; M1240-Y1266 HydrophobicContact SD-CD1 3.75Å; M1240-Y1266 HydrophobicContact SD-CE1 4.15Å; I1258-Y1266 HydrophobicContact CG2-CD2 3.86Å; I1258-Y1266 HydrophobicContact CG2-CE2 4.41Å; C1264-Y1266 PolarHBondContact O-N 3.46Å; Y1266-G1268 VanDerWaalsContact CE2-C 3.46Å; Y1266-L1269 HydrophobicContact CE2-CB 4.21Å; Y1266-L1269 PolarHBondContact OH-N 3.43Å
1267S93.2Very high89.8Confident10 Ų1053.4 Ų53.47%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-112.6-39.8167.7-163.80000111.5L1259 Q1265 T1285L1259-S1267 WeakPolarHBondContact O-CB 3.33Å; L1259-S1267 PolarHBondContact O-N 3.17Å; Q1265-S1267 PolarHBondContact O-N 3.24Å; S1267-T1285 CarbonylContact C-O 3.42Å; S1267-T1285 WeakPolarHBondContact O-CA 3.35Å; S1267-T1285 PolarHBondContact O-N 3.44Å; S1267-T1285 VanDerWaalsContact O-O 3.08Å; S1267-T1285 PolarHBondContact O-OG1 3.08Å; S1267-T1285 PolarHBondContact OG-O 3.43Å; S1267-T1285 PolarHBondContact OG-OG1 3.31Å
1268G94.5Very high89.5Confident0 Ų057 Ų570%029%0.289CS..EExtended strand (participates in β ladder)trans-175.2170.9178.700000113.7L1259 Y1266 S1283L1259-G1268 PolarHBondContact N-O 3.15Å; L1259-G1268 PolarHBondContact O-N 3.37Å; Y1266-G1268 VanDerWaalsContact CE2-C 3.46Å; G1268-S1283 CarbonylContact C-O 3.52Å; G1268-S1283 WeakPolarHBondContact CA-O 3.22Å
1269L96.5Very high89.4Confident0 Ų057 Ų570%029%0.289CS..EExtended strand (participates in β ladder)trans-118.4136.9-177-179.868.6000110.5I1223 L1248 F1256 I1258 Y1266 I1282 S1283I1223-L1269 HydrophobicContact CG2-CD1 3.88Å; L1248-L1269 HydrophobicContact CB-CD2 3.91Å; L1248-L1269 HydrophobicContact CD1-CD2 4.11Å; F1256-L1269 HydrophobicContact CB-CD1 4.3Å; I1258-L1269 HydrophobicContact CG1-CD1 4.08Å; Y1266-L1269 HydrophobicContact CE2-CB 4.21Å; Y1266-L1269 PolarHBondContact OH-N 3.43Å; L1269-I1282 HydrophobicContact CD2-CD1 4.37Å; L1269-I1282 HydrophobicContact CG-CD1 4.29Å; L1269-I1282 PolarHBondContact O-N 3.31Å; L1269-S1283 PolarHBondContact N-O 3.26Å; L1269-S1283 PolarHBondContact O-N 3.45Å
1270Y96.7Very high89.3Confident0 Ų059.1 Ų59.10%030%0.302CS..EExtended strand (participates in β ladder)trans-131142-173.9-64-110.3000111.8F1256 I1257 L1259 A1279 V1280 R1281 G1286 P1287 I1290F1256-Y1270 CarbonylContact C-O 3.54Å; F1256-Y1270 VanDerWaalsContact CA-O 3.25Å; F1256-Y1270 WeakPolarHBondContact CA-O 3.44Å; I1257-Y1270 PolarHBondContact N-O 3.3Å; I1257-Y1270 PolarHBondContact O-N 2.97Å; L1259-Y1270 HydrophobicContact CB-CD2 4.04Å; L1259-Y1270 HydrophobicContact CB-CE2 3.49Å; L1259-Y1270 VanDerWaalsContact CB-CE2 3.49Å; L1259-Y1270 HydrophobicContact CD2-CE2 3.92Å; L1259-Y1270 WeakPolarHBondContact CD2-OH 3.43Å; L1259-Y1270 HydrophobicContact CG-CE2 4.34Å; Y1270-A1279 HydrophobicContact CD1-CB 4.31Å; Y1270-A1279 HydrophobicContact CG-CB 4.45Å; Y1270-V1280 CarbonylContact C-O 3.06Å; Y1270-V1280 WeakPolarHBondContact CA-O 3.34Å; Y1270-R1281 VanDerWaalsContact CD1-CA 3.48Å; Y1270-R1281 HydrophobicContact CD1-CB 3.89Å; Y1270-R1281 HydrophobicContact CD1-CG 4.39Å; Y1270-R1281 HydrophobicContact CE1-CB 3.53Å; Y1270-R1281 HydrophobicContact CE1-CG 3.86Å; Y1270-R1281 HydrophobicContact CE2-CG 4.19Å; Y1270-G1286 WeakPolarHBondContact OH-CA 3.43Å; Y1270-P1287 VanDerWaalsContact CE1-O 3.3Å; Y1270-P1287 WeakPolarHBondContact CE1-O 3.41Å; Y1270-P1287 PolarHBondContact OH-O 3.38Å; Y1270-I1290 HydrophobicContact CD1-CD1 3.9Å; Y1270-I1290 HydrophobicContact CD1-CG1 4.26Å; Y1270-I1290 HydrophobicContact CD2-CD1 4.43Å; Y1270-I1290 HydrophobicContact CE1-CD1 3.47Å; Y1270-I1290 VanDerWaalsContact CE1-CD1 3.47Å; Y1270-I1290 HydrophobicContact CE1-CG1 3.79Å; Y1270-I1290 HydrophobicContact CE2-CD1 4.11Å; Y1270-I1290 HydrophobicContact CG-CD1 4.39Å
1271N95.1Very high89.3Confident34 Ų3463 Ų6318%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-85.9122.6168.1-174.1-1.8000108.6G1253 H1255 F1256 A1279 V1280 I1282G1253-N1271 WeakPolarHBondContact CA-OD1 3.46Å; H1255-N1271 PolarHBondContact O-OD1 2.88Å; F1256-N1271 HydrophobicContact CD1-CB 4.5Å; F1256-N1271 HydrophobicContact CE1-CB 4.48Å; N1271-A1279 CarbonylContact O-C 3.52Å; N1271-A1279 WeakPolarHBondContact O-CA 3.21Å; N1271-V1280 PolarHBondContact N-O 3.26Å; N1271-V1280 PolarHBondContact O-N 3.07Å; N1271-I1282 HydrophobicContact CB-CD1 3.87Å; N1271-I1282 HydrophobicContact CB-CG1 4.01Å
1272Y95Very high89.7Confident9 Ų960.8 Ų60.84%0.03531%0.309CS..EExtended strand (participates in β ladder)trans-96.4121.3178.7179.3-116.8000111H1255 I1257 P1274 A1279 M1317H1255-Y1272 HydrophobicContact CB-CD1 4.26Å; H1255-Y1272 PolarHBondContact O-N 2.82Å; I1257-Y1272 HydrophobicContact CD1-CD1 4.48Å; I1257-Y1272 HydrophobicContact CD1-CD2 3.99Å; I1257-Y1272 HydrophobicContact CD1-CG 3.83Å; Y1272-P1274 HydrophobicContact CD1-CB 4.44Å; Y1272-P1274 HydrophobicContact CE1-CB 3.83Å; Y1272-P1274 WeakPolarHBondContact O-CD 3.26Å; Y1272-A1279 HydrophobicContact CD2-CB 4.3Å; Y1272-M1317 HydrophobicContact CD2-CB 4.48Å; Y1272-M1317 HydrophobicContact CD2-SD 4.09Å; Y1272-M1317 HydrophobicContact CE2-CB 3.69Å; Y1272-M1317 HydrophobicContact CE2-CE 4.27Å; Y1272-M1317 HydrophobicContact CE2-CG 4.44Å; Y1272-M1317 HydrophobicContact CE2-SD 4.01Å; Y1272-M1317 PolarHBondContact OH-O 3.1Å
1273L90.2Very high90.4Very high66 Ų6658.6 Ų58.635%0.34629%0.294SS..EExtended strand (participates in β ladder)trans-10393.3179.6-62.6176.4000109.5I1275 I1276 E1277 K1278 V1280L1273-I1275 PolarHBondContact O-N 2.92Å; L1273-I1275 VanDerWaalsContact O-N 3.12Å; L1273-I1276 HydrophobicContact CB-CD1 4.18Å; L1273-I1276 HydrophobicContact CB-CG1 4.09Å; L1273-I1276 HydrophobicContact CD1-CD1 3.85Å; L1273-I1276 PolarHBondContact O-N 3.34Å; L1273-E1277 PolarHBondContact O-N 2.83Å; L1273-K1278 PolarHBondContact N-O 3.48Å; L1273-V1280 HydrophobicContact CD1-CG2 4.46Å
1274P85.9Confident91.1Very high58 Ų5851.5 Ų51.538%0.37727%0.27SS..THydrogen-bonded Turntrans-61.9-24.4-173.622.9-34.1000113.9Y1272 I1276 T1319Y1272-P1274 HydrophobicContact CD1-CB 4.44Å; Y1272-P1274 HydrophobicContact CE1-CB 3.83Å; Y1272-P1274 WeakPolarHBondContact O-CD 3.26Å; P1274-I1276 PolarHBondContact O-N 3.06Å; P1274-T1319 HydrophobicContact CB-CG2 4.23Å; P1274-T1319 HydrophobicContact CG-CG2 4.33Å
1275I83.6Confident91.7Very high168 Ų16853.1 Ų53.186%0.86228%0.278SS*.THydrogen-bonded Turntrans-66-20.6175.5-59.2171.5000112.1L1273L1273-I1275 PolarHBondContact O-N 2.92Å; L1273-I1275 VanDerWaalsContact O-N 3.12Å
1276I85.7Confident91.8Very high101 Ų10147.6 Ų47.652%0.51826%0.255SS..THydrogen-bonded Turntrans-124.90-173.6-24178.3000112.1L1273 P1274 K1278L1273-I1276 HydrophobicContact CB-CD1 4.18Å; L1273-I1276 HydrophobicContact CB-CG1 4.09Å; L1273-I1276 HydrophobicContact CD1-CD1 3.85Å; L1273-I1276 PolarHBondContact O-N 3.34Å; P1274-I1276 PolarHBondContact O-N 3.06Å; I1276-K1278 WeakPolarHBondContact O-CG 3.49Å; I1276-K1278 PolarHBondContact O-N 3.47Å; I1276-K1278 VanDerWaalsContact O-N 3.09Å
1277E86.6Confident91.7Very high119 Ų11947.8 Ų47.856%0.55626%0.258SS*.THydrogen-bonded Turntrans48.332.6-176.1-60.1-174.5169.100114.9L1273 M1317L1273-E1277 PolarHBondContact O-N 2.83Å; E1277-M1317 WeakPolarHBondContact O-CE 3.5Å
1278K88.9Confident91.6Very high76 Ų7651 Ų5133%0.3328%0.281SS..EExtended strand (participates in β ladder)trans-128.4139-176.2-72177.2-163.7-160.50111.7L1273 I1276 E1291L1273-K1278 PolarHBondContact N-O 3.48Å; I1276-K1278 WeakPolarHBondContact O-CG 3.49Å; I1276-K1278 PolarHBondContact O-N 3.47Å; I1276-K1278 VanDerWaalsContact O-N 3.09Å; K1278-E1291 HydrophobicContact CD-CG 4.07Å; K1278-E1291 VanDerWaalsContact CE-OE1 3.31Å; K1278-E1291 WeakPolarHBondContact CE-OE1 3.3Å; K1278-E1291 HydrophobicContact CG-CG 4.12Å; K1278-E1291 IonicContact NZ-OE1 2.63Å; K1278-E1291 PolarHBondContact NZ-OE1 2.82Å
1279A93.2Very high91.5Very high0 Ų057.2 Ų57.20%031%0.308CS..EExtended strand (participates in β ladder)trans-101.9128.5174.300000109.7Y1270 N1271 Y1272 K1289 I1290 M1317Y1270-A1279 HydrophobicContact CD1-CB 4.31Å; Y1270-A1279 HydrophobicContact CG-CB 4.45Å; N1271-A1279 CarbonylContact O-C 3.52Å; N1271-A1279 WeakPolarHBondContact O-CA 3.21Å; Y1272-A1279 HydrophobicContact CD2-CB 4.3Å; A1279-K1289 CarbonylContact O-C 3.2Å; A1279-K1289 WeakPolarHBondContact O-CA 3.15Å; A1279-I1290 HydrophobicContact CB-CB 4.35Å; A1279-I1290 PolarHBondContact N-O 2.98Å; A1279-I1290 VanDerWaalsContact N-O 3.12Å; A1279-I1290 PolarHBondContact O-N 2.73Å; A1279-M1317 HydrophobicContact CB-SD 4.18Å
1280V94.2Very high91.3Very high52 Ų5257.2 Ų57.232%0.31531%0.308SS..EExtended strand (participates in β ladder)trans-110.5130.9-177.4-176.20000109.4Y1270 N1271 L1273 I1282Y1270-V1280 CarbonylContact C-O 3.06Å; Y1270-V1280 WeakPolarHBondContact CA-O 3.34Å; N1271-V1280 PolarHBondContact N-O 3.26Å; N1271-V1280 PolarHBondContact O-N 3.07Å; L1273-V1280 HydrophobicContact CD1-CG2 4.46Å; V1280-I1282 PolarHBondContact O-N 3.05Å
1281R95Very high91Very high89 Ų8960.1 Ų60.134%0.33632%0.322SS..EExtended strand (participates in β ladder)trans-68.1128.7-174.7-163.7-174.875.1-169.58.4111.3Y1270 G1286 S1288Y1270-R1281 VanDerWaalsContact CD1-CA 3.48Å; Y1270-R1281 HydrophobicContact CD1-CB 3.89Å; Y1270-R1281 HydrophobicContact CD1-CG 4.39Å; Y1270-R1281 HydrophobicContact CE1-CB 3.53Å; Y1270-R1281 HydrophobicContact CE1-CG 3.86Å; Y1270-R1281 HydrophobicContact CE2-CG 4.19Å; R1281-G1286 PolarHBondContact NH1-O 2.89Å; R1281-S1288 PolarHBondContact N-O 3.15Å
1282I93.8Very high90.7Very high56 Ų5660.7 Ų60.729%0.28733%0.325SS..EExtended strand (participates in β ladder)trans-99.3-50.2172.1-38.6175.7000109.9A1247 F1256 L1269 N1271 V1280A1247-I1282 HydrophobicContact CB-CG2 4.26Å; A1247-I1282 WeakPolarHBondContact O-CG2 3.5Å; F1256-I1282 HydrophobicContact CD1-CD1 3.61Å; F1256-I1282 HydrophobicContact CE1-CD1 3.56Å; L1269-I1282 HydrophobicContact CD2-CD1 4.37Å; L1269-I1282 HydrophobicContact CG-CD1 4.29Å; L1269-I1282 PolarHBondContact O-N 3.31Å; N1271-I1282 HydrophobicContact CB-CD1 3.87Å; N1271-I1282 HydrophobicContact CB-CG1 4.01Å; V1280-I1282 PolarHBondContact O-N 3.05Å
1283S93.8Very high90.4Very high18 Ų1865.9 Ų65.913%0.12635%0.353CS..EExtended strand (participates in β ladder)trans-140.1158.9-172.6-176.60000112.3G1268 L1269G1268-S1283 CarbonylContact C-O 3.52Å; G1268-S1283 WeakPolarHBondContact CA-O 3.22Å; L1269-S1283 PolarHBondContact N-O 3.26Å; L1269-S1283 PolarHBondContact O-N 3.45Å
1284G92.3Very high90.4Very high34 Ų3465.2 Ų65.235%0.35135%0.349SS..EExtended strand (participates in β ladder)trans73.8-156.2176.700000115.7
1285T90.1Very high90.6Very high78 Ų7863 Ų6348%0.47933%0.334SS..SBendtrans-112.1136.2-166.664.90000112.8S1267S1267-T1285 CarbonylContact C-O 3.42Å; S1267-T1285 WeakPolarHBondContact O-CA 3.35Å; S1267-T1285 PolarHBondContact O-N 3.44Å; S1267-T1285 VanDerWaalsContact O-O 3.08Å; S1267-T1285 PolarHBondContact O-OG1 3.08Å; S1267-T1285 PolarHBondContact OG-O 3.43Å; S1267-T1285 PolarHBondContact OG-OG1 3.31Å
1286G89Confident90.9Very high8 Ų858.4 Ų58.48%0.08231%0.312CS..SBendtrans143.6176.9-175.700000112.1Y1270 R1281Y1270-G1286 WeakPolarHBondContact OH-CA 3.43Å; R1281-G1286 PolarHBondContact NH1-O 2.89Å
1287P91.7Very high91.2Very high27 Ų2757 Ų5718%0.17530%0.301CS..  trans-61.3150.9-179.928.7-36.4000111.7Y1270 K1289 I1290 L1326Y1270-P1287 VanDerWaalsContact CE1-O 3.3Å; Y1270-P1287 WeakPolarHBondContact CE1-O 3.41Å; Y1270-P1287 PolarHBondContact OH-O 3.38Å; P1287-K1289 VanDerWaalsContact C-N 3.27Å; P1287-K1289 PolarHBondContact O-N 2.97Å; P1287-I1290 HydrophobicContact CG-CD1 4.39Å; P1287-I1290 HydrophobicContact CG-CG1 3.81Å; P1287-L1326 HydrophobicContact CG-CD1 3.87Å
1288S92.2Very high91.5Very high79 Ų7952.2 Ų52.255%0.55228%0.279SS*.SBendtrans-68.4-26.8-175.7-168.50000113.4R1281R1281-S1288 PolarHBondContact N-O 3.15Å
1289K92.4Very high91.8Very high129 Ų12950.1 Ų50.156%0.56127%0.269SS*.EExtended strand (participates in β ladder)trans-135.6144.4172.8-61.1-179.2-177.8177.50109.2A1279 P1287A1279-K1289 CarbonylContact O-C 3.2Å; A1279-K1289 WeakPolarHBondContact O-CA 3.15Å; P1287-K1289 VanDerWaalsContact C-N 3.27Å; P1287-K1289 PolarHBondContact O-N 2.97Å
1290I93Very high91.9Very high0 Ų055.2 Ų55.20%029%0.291CS..EExtended strand (participates in β ladder)trans-116.6133.6171.3-64.8171.6000108.4L1259 Y1270 A1279 P1287 M1294 V1295 M1317 I1324 L1326L1259-I1290 HydrophobicContact CD1-CD1 4.4Å; L1259-I1290 HydrophobicContact CD2-CD1 4.44Å; Y1270-I1290 HydrophobicContact CD1-CD1 3.9Å; Y1270-I1290 HydrophobicContact CD1-CG1 4.26Å; Y1270-I1290 HydrophobicContact CD2-CD1 4.43Å; Y1270-I1290 HydrophobicContact CE1-CD1 3.47Å; Y1270-I1290 VanDerWaalsContact CE1-CD1 3.47Å; Y1270-I1290 HydrophobicContact CE1-CG1 3.79Å; Y1270-I1290 HydrophobicContact CE2-CD1 4.11Å; Y1270-I1290 HydrophobicContact CG-CD1 4.39Å; A1279-I1290 HydrophobicContact CB-CB 4.35Å; A1279-I1290 PolarHBondContact N-O 2.98Å; A1279-I1290 VanDerWaalsContact N-O 3.12Å; A1279-I1290 PolarHBondContact O-N 2.73Å; P1287-I1290 HydrophobicContact CG-CD1 4.39Å; P1287-I1290 HydrophobicContact CG-CG1 3.81Å; I1290-M1294 HydrophobicContact CG2-CB 4.47Å; I1290-V1295 HydrophobicContact CG2-CG2 4.01Å; I1290-M1317 HydrophobicContact CG2-CE 4.48Å; I1290-I1324 HydrophobicContact CD1-CD1 3.84Å; I1290-I1324 HydrophobicContact CG2-CD1 3.93Å; I1290-L1326 HydrophobicContact CD1-CD1 3.96Å; I1290-L1326 HydrophobicContact CD1-CD2 4.16Å; I1290-L1326 HydrophobicContact CD1-CG 4.3Å; I1290-L1326 HydrophobicContact CG1-CD1 4.31Å; I1290-L1326 HydrophobicContact CG1-CD2 4.28Å; I1290-L1326 HydrophobicContact CG2-CD2 3.86Å
1291E90.3Very high91.9Very high62 Ų6253.3 Ų53.329%0.2928%0.278SS..  trans-113.2157.8172.6-55.4-170.6164.800109.2K1278 N1293 M1294K1278-E1291 HydrophobicContact CD-CG 4.07Å; K1278-E1291 VanDerWaalsContact CE-OE1 3.31Å; K1278-E1291 WeakPolarHBondContact CE-OE1 3.3Å; K1278-E1291 HydrophobicContact CG-CG 4.12Å; K1278-E1291 IonicContact NZ-OE1 2.63Å; K1278-E1291 PolarHBondContact NZ-OE1 2.82Å; E1291-N1293 VanDerWaalsContact C-N 3.27Å; E1291-N1293 WeakPolarHBondContact CB-OD1 3.47Å; E1291-N1293 PolarHBondContact O-N 2.85Å; E1291-M1294 HydrophobicContact CB-CE 4.11Å; E1291-M1294 HydrophobicContact CB-CG 4.49Å; E1291-M1294 HydrophobicContact CG-CE 4.06Å; E1291-M1294 WeakPolarHBondContact O-CB 3.49Å; E1291-M1294 WeakPolarHBondContact O-CG 3.46Å; E1291-M1294 PolarHBondContact O-N 3.33Å
1292N88.8Confident91.9Very high46 Ų4651.7 Ų51.725%0.24628%0.276CS..G310 helixtrans-58.6-38.5-169.3-160.964.7000113.9M1294 V1295 Y1298 S1315 H1316 M1317N1292-M1294 PolarHBondContact O-N 3.36Å; N1292-M1294 VanDerWaalsContact O-N 3.08Å; N1292-V1295 PolarHBondContact O-N 3.38Å; N1292-V1295 VanDerWaalsContact O-N 3.14Å; N1292-Y1298 PolarHBondContact ND2-OH 3.46Å; N1292-Y1298 PolarHBondContact OD1-OH 3.3Å; N1292-S1315 PolarHBondContact ND2-O 3.21Å; N1292-H1316 VanDerWaalsContact OD1-CA 3.26Å; N1292-H1316 WeakPolarHBondContact OD1-CA 3.49Å; N1292-M1317 HydrophobicContact CB-CE 4.45Å; N1292-M1317 PolarHBondContact OD1-N 3.28Å
1293N87.9Confident91.7Very high118 Ų11852.8 Ų52.863%0.63129%0.289SS*.G310 helixtrans-62.1-7.7175.456.714.9000115.1E1291E1291-N1293 VanDerWaalsContact C-N 3.27Å; E1291-N1293 WeakPolarHBondContact CB-OD1 3.47Å; E1291-N1293 PolarHBondContact O-N 2.85Å
1294M90.2Very high91.5Very high52 Ų5255.1 Ų55.126%0.25632%0.316SS..G310 helixtrans-94.9-16.9176.2-50.1-175.4-177.300113I1290 E1291 N1292 L1326 H1327I1290-M1294 HydrophobicContact CG2-CB 4.47Å; E1291-M1294 HydrophobicContact CB-CE 4.11Å; E1291-M1294 HydrophobicContact CB-CG 4.49Å; E1291-M1294 HydrophobicContact CG-CE 4.06Å; E1291-M1294 WeakPolarHBondContact O-CB 3.49Å; E1291-M1294 WeakPolarHBondContact O-CG 3.46Å; E1291-M1294 PolarHBondContact O-N 3.33Å; N1292-M1294 PolarHBondContact O-N 3.36Å; N1292-M1294 VanDerWaalsContact O-N 3.08Å; M1294-L1326 HydrophobicContact CB-CD2 3.66Å; M1294-L1326 WeakPolarHBondContact O-CD2 3.48Å; M1294-H1327 PolarHBondContact O-N 3.16Å; M1294-H1327 VanDerWaalsContact O-N 3.07Å; M1294-H1327 PolarHBondContact O-ND1 2.83Å
1295V90.7Very high91.4Very high10 Ų1058.2 Ų58.26%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-83.1139.5-172.9-173.70000111.1I1290 N1292 K1297 Y1298 I1324 L1326 H1327I1290-V1295 HydrophobicContact CG2-CG2 4.01Å; N1292-V1295 PolarHBondContact O-N 3.38Å; N1292-V1295 VanDerWaalsContact O-N 3.14Å; V1295-K1297 WeakPolarHBondContact CG1-O 3.05Å; V1295-Y1298 HydrophobicContact CB-CE1 3.93Å; V1295-Y1298 HydrophobicContact CG1-CD1 3.78Å; V1295-Y1298 HydrophobicContact CG1-CE1 3.45Å; V1295-Y1298 VanDerWaalsContact CG1-CE1 3.45Å; V1295-Y1298 HydrophobicContact CG1-CE2 4.24Å; V1295-Y1298 HydrophobicContact CG1-CG 4.33Å; V1295-Y1298 HydrophobicContact CG2-CE1 4.3Å; V1295-I1324 HydrophobicContact CG1-CB 3.9Å; V1295-I1324 HydrophobicContact CG1-CG2 3.98Å; V1295-I1324 HydrophobicContact CG2-CB 4.5Å; V1295-I1324 HydrophobicContact CG2-CD1 4.08Å; V1295-L1326 HydrophobicContact CG2-CD2 4.44Å; V1295-H1327 PolarHBondContact O-CE1 3.09Å; V1295-H1327 PolarHBondContact O-ND1 3.14Å
1296D90Very high91.5Very high73 Ų7359.8 Ų59.839%0.3932%0.324SS..EExtended strand (participates in β ladder)trans-106.1-48.2-177.4177.910.3000109.9Q1325 H1327D1296-Q1325 WeakPolarHBondContact CB-O 3.48Å; D1296-Q1325 PolarHBondContact N-O 3.17Å; D1296-H1327 HydrophobicContact CB-CB 4.44Å
1297K91.3Very high91.7Very high70 Ų7066 Ų6630%0.30435%0.345SS..EExtended strand (participates in β ladder)trans-135.6146.6178.3-68168.9165.6-78.60112.1V1295 Y1299 E1310 I1324 Q1325V1295-K1297 WeakPolarHBondContact CG1-O 3.05Å; K1297-Y1299 HydrophobicContact CB-CE2 3.79Å; K1297-Y1299 WeakPolarHBondContact CD-OH 3.33Å; K1297-E1310 IonicContact NZ-OE1 3.27Å; K1297-E1310 PolarHBondContact NZ-OE1 3.05Å; K1297-E1310 IonicContact NZ-OE2 3.25Å; K1297-E1310 PolarHBondContact NZ-OE2 3.23Å; K1297-I1324 WeakPolarHBondContact O-CA 3.43Å; K1297-Q1325 HydrophobicContact CB-CB 4.24Å; K1297-Q1325 PolarHBondContact N-O 2.91Å; K1297-Q1325 PolarHBondContact O-N 3.27Å
1298Y93.8Very high91.8Very high20 Ų2065.5 Ų65.58%0.07834%0.34CS..EExtended strand (participates in β ladder)trans-114.3143.9178.6-57.8-81.8000110.8N1292 V1295 E1310 I1311 T1314 S1315 M1317 I1321 I1324N1292-Y1298 PolarHBondContact ND2-OH 3.46Å; N1292-Y1298 PolarHBondContact OD1-OH 3.3Å; V1295-Y1298 HydrophobicContact CB-CE1 3.93Å; V1295-Y1298 HydrophobicContact CG1-CD1 3.78Å; V1295-Y1298 HydrophobicContact CG1-CE1 3.45Å; V1295-Y1298 VanDerWaalsContact CG1-CE1 3.45Å; V1295-Y1298 HydrophobicContact CG1-CE2 4.24Å; V1295-Y1298 HydrophobicContact CG1-CG 4.33Å; V1295-Y1298 HydrophobicContact CG2-CE1 4.3Å; Y1298-E1310 WeakPolarHBondContact O-CA 3.47Å; Y1298-E1310 WeakPolarHBondContact O-CG 3.27Å; Y1298-I1311 PolarHBondContact O-N 2.98Å; Y1298-T1314 WeakPolarHBondContact CD2-O 3.5Å; Y1298-T1314 VanDerWaalsContact CE2-O 3.3Å; Y1298-T1314 WeakPolarHBondContact CE2-O 3.45Å; Y1298-S1315 PolarHBondContact OH-O 2.85Å; Y1298-M1317 HydrophobicContact CE1-CG 4.1Å; Y1298-I1321 HydrophobicContact CD1-CD1 3.52Å; Y1298-I1321 HydrophobicContact CD1-CG1 4.35Å; Y1298-I1321 HydrophobicContact CD1-CG2 4.34Å; Y1298-I1321 HydrophobicContact CE1-CD1 4.18Å; Y1298-I1321 HydrophobicContact CG-CD1 3.99Å; Y1298-I1324 HydrophobicContact CD1-CG2 3.9Å; Y1298-I1324 HydrophobicContact CE1-CG2 4.42Å
1299Y94.3Very high91.8Very high31 Ų3164.7 Ų64.712%0.12233%0.331CS..EExtended strand (participates in β ladder)trans-138.1145.1-175.9-63.1-84.1000112.6L1260 K1297 F1308 V1309 E1310 D1322 A1323 Q1325L1260-Y1299 HydrophobicContact CD1-CD2 4.07Å; L1260-Y1299 HydrophobicContact CD1-CE2 4.32Å; K1297-Y1299 HydrophobicContact CB-CE2 3.79Å; K1297-Y1299 WeakPolarHBondContact CD-OH 3.33Å; Y1299-F1308 HydrophobicContact CD1-CB 4.05Å; Y1299-F1308 HydrophobicContact CG-CB 4.33Å; Y1299-V1309 VanDerWaalsContact CA-O 3.32Å; Y1299-V1309 WeakPolarHBondContact CA-O 3.33Å; Y1299-E1310 HydrophobicContact CD1-CB 3.95Å; Y1299-E1310 HydrophobicContact CD1-CG 4.16Å; Y1299-E1310 HydrophobicContact CE1-CB 3.72Å; Y1299-E1310 HydrophobicContact CE1-CG 3.74Å; Y1299-E1310 PolarHBondContact OH-OE2 2.81Å; Y1299-D1322 PolarHBondContact O-N 3.22Å; Y1299-A1323 PolarHBondContact N-O 3.5Å; Y1299-A1323 PolarHBondContact O-N 3.14Å; Y1299-A1323 VanDerWaalsContact O-N 3.07Å; Y1299-Q1325 HydrophobicContact CE2-CB 4.12Å
1300K94.6Very high91.8Very high107 Ų10762.1 Ų62.147%0.46532%0.322SS..EExtended strand (participates in β ladder)trans-106.9145.7166.9-165.3170.6-176.2175.20109.8F1308 V1309 I1311 I1320K1300-F1308 CarbonylContact O-C 3.55Å; K1300-F1308 WeakPolarHBondContact O-CA 3.22Å; K1300-V1309 PolarHBondContact N-O 3.26Å; K1300-V1309 PolarHBondContact O-N 3.16Å; K1300-I1311 HydrophobicContact CB-CD1 3.82Å; K1300-I1311 HydrophobicContact CB-CG1 4.02Å; K1300-I1320 HydrophobicContact CD-CG2 4.39Å
1301Y95.6Very high91.7Very high12 Ų1263.4 Ų63.45%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-89.2118.5171.8-178.2-109.1000110.9A1222 N1225 A1226 C1230 K1306 F1308 D1322A1222-Y1301 HydrophobicContact CB-CD1 4.46Å; A1222-Y1301 WeakPolarHBondContact O-CD1 3.39Å; N1225-Y1301 HydrophobicContact CB-CE1 3.72Å; N1225-Y1301 PolarHBondContact O-OH 3.22Å; A1226-Y1301 HydrophobicContact CB-CD1 4.11Å; A1226-Y1301 HydrophobicContact CB-CD2 3.54Å; A1226-Y1301 HydrophobicContact CB-CE1 4.29Å; A1226-Y1301 HydrophobicContact CB-CE2 3.77Å; A1226-Y1301 HydrophobicContact CB-CG 3.72Å; C1230-Y1301 HydrophobicContact CB-CE2 4Å; Y1301-K1306 WeakPolarHBondContact OH-CA 3.3Å; Y1301-F1308 HydrophobicContact CD2-CD1 4.41Å; Y1301-F1308 HydrophobicContact CD2-CE1 4.21Å; Y1301-F1308 HydrophobicContact CD2-CZ 4.31Å; Y1301-D1322 PolarHBondContact N-OD2 3.42Å
1302D93.4Very high91.6Very high56 Ų5667.2 Ų67.230%0.29935%0.35SS..EExtended strand (participates in β ladder)trans-88108.8169.9-175.4-28.6000109G1304 L1305 K1306 R1307 V1309D1302-G1304 VanDerWaalsContact C-N 3.31Å; D1302-G1304 PolarHBondContact O-N 3.21Å; D1302-G1304 WeakPolarHBondContact OD1-CA 3.43Å; D1302-G1304 PolarHBondContact OD1-N 3.34Å; D1302-L1305 HydrophobicContact CB-CB 4.17Å; D1302-L1305 PolarHBondContact OD1-N 2.97Å; D1302-L1305 VanDerWaalsContact OD2-CD1 3.3Å; D1302-L1305 WeakPolarHBondContact OD2-CD1 3.38Å; D1302-L1305 VanDerWaalsContact OD2-CG 3.32Å; D1302-L1305 WeakPolarHBondContact OD2-CG 3.35Å; D1302-K1306 VanDerWaalsContact O-CA 3.23Å; D1302-K1306 WeakPolarHBondContact O-CA 3.38Å; D1302-K1306 PolarHBondContact O-N 3.47Å; D1302-R1307 PolarHBondContact N-O 3.37Å; D1302-R1307 PolarHBondContact O-N 3.31Å; D1302-V1309 HydrophobicContact CB-CG2 4.18Å
1303S90Very high91.2Very high78 Ų7869.9 Ų69.955%0.54537%0.373SS..THydrogen-bonded Turntrans-72.5-19.8179.153.80000114.5
1304G89.7Confident90.7Very high67 Ų6765.4 Ų65.469%0.69135%0.35SS*.THydrogen-bonded Turntrans-80.1-43.5175.200000111.7D1302D1302-G1304 VanDerWaalsContact C-N 3.31Å; D1302-G1304 PolarHBondContact O-N 3.21Å; D1302-G1304 WeakPolarHBondContact OD1-CA 3.43Å; D1302-G1304 PolarHBondContact OD1-N 3.34Å
1305L90.7Very high90.2Very high99 Ų9967.5 Ų67.552%0.51837%0.369SS..THydrogen-bonded Turntrans-86.2-5.5175.5-60.9-177.8000113.8D1302 R1307D1302-L1305 HydrophobicContact CB-CB 4.17Å; D1302-L1305 PolarHBondContact OD1-N 2.97Å; D1302-L1305 VanDerWaalsContact OD2-CD1 3.3Å; D1302-L1305 WeakPolarHBondContact OD2-CD1 3.38Å; D1302-L1305 VanDerWaalsContact OD2-CG 3.32Å; D1302-L1305 WeakPolarHBondContact OD2-CG 3.35Å; L1305-R1307 HydrophobicContact CB-CG 3.83Å; L1305-R1307 PolarHBondContact O-N 3.1Å
1306K92.7Very high89.9Confident112 Ų11271.3 Ų71.349%0.48739%0.386SS..THydrogen-bonded Turntrans5134.3-177.3-59-175.2179.4-174.20114.2Y1229 Y1301 D1302Y1229-K1306 HydrophobicContact CG-CD 4.42Å; Y1301-K1306 WeakPolarHBondContact OH-CA 3.3Å; D1302-K1306 VanDerWaalsContact O-CA 3.23Å; D1302-K1306 WeakPolarHBondContact O-CA 3.38Å; D1302-K1306 PolarHBondContact O-N 3.47Å
1307R92.7Very high89.7Confident137 Ų13768.1 Ų68.152%0.51737%0.369SS..EExtended strand (participates in β ladder)trans-138.9161.3-174.573-178.4-174.3166.42.5111.8D1302 L1305 V1309D1302-R1307 PolarHBondContact N-O 3.37Å; D1302-R1307 PolarHBondContact O-N 3.31Å; L1305-R1307 HydrophobicContact CB-CG 3.83Å; L1305-R1307 PolarHBondContact O-N 3.1Å; R1307-V1309 HydrophobicContact CG-CG2 4.45Å
1308F93.7Very high89.6Confident17 Ų1765.7 Ų65.78%0.07536%0.361CS..EExtended strand (participates in β ladder)trans-78144.2164.8-67.5-77000111.6A1226 C1230 C1231 I1258 L1260 C1264 Y1299 K1300 Y1301 D1322 A1323A1226-F1308 HydrophobicContact CB-CE1 4.41Å; A1226-F1308 HydrophobicContact CB-CZ 3.81Å; C1230-F1308 HydrophobicContact CB-CE2 4.5Å; C1231-F1308 VanDerWaalsContact SG-CE2 3.52Å; I1258-F1308 HydrophobicContact CD1-CZ 4.19Å; L1260-F1308 HydrophobicContact CD1-CD2 4.27Å; L1260-F1308 HydrophobicContact CD1-CE2 4.46Å; L1260-F1308 HydrophobicContact CD1-CG 4.46Å; L1260-F1308 HydrophobicContact CD2-CE2 4.5Å; C1264-F1308 HydrophobicContact CB-CD2 4.27Å; Y1299-F1308 HydrophobicContact CD1-CB 4.05Å; Y1299-F1308 HydrophobicContact CG-CB 4.33Å; K1300-F1308 CarbonylContact O-C 3.55Å; K1300-F1308 WeakPolarHBondContact O-CA 3.22Å; Y1301-F1308 HydrophobicContact CD2-CD1 4.41Å; Y1301-F1308 HydrophobicContact CD2-CE1 4.21Å; Y1301-F1308 HydrophobicContact CD2-CZ 4.31Å; F1308-D1322 HydrophobicContact CE1-CB 4.43Å; F1308-A1323 HydrophobicContact CD1-CB 3.8Å; F1308-A1323 HydrophobicContact CE1-CB 3.4Å; F1308-A1323 HydrophobicContact CZ-CB 3.93Å
1309V93Very high89.4Confident62 Ų6267.7 Ų67.738%0.37638%0.375SS..EExtended strand (participates in β ladder)trans-121.9131.3171.5-178.40000107.4Y1299 K1300 D1302 R1307Y1299-V1309 VanDerWaalsContact CA-O 3.32Å; Y1299-V1309 WeakPolarHBondContact CA-O 3.33Å; K1300-V1309 PolarHBondContact N-O 3.26Å; K1300-V1309 PolarHBondContact O-N 3.16Å; D1302-V1309 HydrophobicContact CB-CG2 4.18Å; R1307-V1309 HydrophobicContact CG-CG2 4.45Å
1310E92.4Very high89.2Confident76 Ų7669.7 Ų69.736%0.35539%0.388SS..EExtended strand (participates in β ladder)trans-71.8137-179.7-157.6173133.100110.5K1297 Y1298 Y1299K1297-E1310 IonicContact NZ-OE1 3.27Å; K1297-E1310 PolarHBondContact NZ-OE1 3.05Å; K1297-E1310 IonicContact NZ-OE2 3.25Å; K1297-E1310 PolarHBondContact NZ-OE2 3.23Å; Y1298-E1310 WeakPolarHBondContact O-CA 3.47Å; Y1298-E1310 WeakPolarHBondContact O-CG 3.27Å; Y1299-E1310 HydrophobicContact CD1-CB 3.95Å; Y1299-E1310 HydrophobicContact CD1-CG 4.16Å; Y1299-E1310 HydrophobicContact CE1-CB 3.72Å; Y1299-E1310 HydrophobicContact CE1-CG 3.74Å; Y1299-E1310 PolarHBondContact OH-OE2 2.81Å
1311I90.9Very high89.2Confident27 Ų2764.7 Ų64.714%0.13837%0.366CS..  trans-103.798.9179.7-44.4178.8000109.2Y1298 K1300 S1313 T1314 I1321Y1298-I1311 PolarHBondContact O-N 2.98Å; K1300-I1311 HydrophobicContact CB-CD1 3.82Å; K1300-I1311 HydrophobicContact CB-CG1 4.02Å; I1311-S1313 VanDerWaalsContact C-N 3.32Å; I1311-S1313 WeakPolarHBondContact CG2-OG 3.48Å; I1311-T1314 HydrophobicContact CG2-CG2 4.04Å; I1311-T1314 WeakPolarHBondContact CG2-OG1 3.29Å; I1311-I1321 HydrophobicContact CD1-CG1 3.78Å
1312N86.3Confident89.2Confident141 Ų14164.6 Ų64.675%0.75437%0.366SS*.THydrogen-bonded Turntrans-80.8-12.9-178.3-60.614.3000113.2
1313S80.4Confident89.3Confident102 Ų10262 Ų6271%0.71335%0.352SS*.THydrogen-bonded Turntrans-88.8-10.2-174.9520000114.9I1311I1311-S1313 VanDerWaalsContact C-N 3.32Å; I1311-S1313 WeakPolarHBondContact CG2-OG 3.48Å
1314T79Confident89.5Confident25 Ų2558.2 Ų58.215%0.15333%0.326CS..  trans-116.9117.3-176.254.30000111.3Y1298 I1311 H1316Y1298-T1314 WeakPolarHBondContact CD2-O 3.5Å; Y1298-T1314 VanDerWaalsContact CE2-O 3.3Å; Y1298-T1314 WeakPolarHBondContact CE2-O 3.45Å; I1311-T1314 HydrophobicContact CG2-CG2 4.04Å; I1311-T1314 WeakPolarHBondContact CG2-OG1 3.29Å; T1314-H1316 VanDerWaalsContact C-N 3.33Å
1315S78.5Confident89.6Confident95 Ų9556 Ų5666%0.66430%0.297SS*.SBendtrans-87.90.4173.254.70000113.8N1292 Y1298N1292-S1315 PolarHBondContact ND2-O 3.21Å; Y1298-S1315 PolarHBondContact OH-O 2.85Å
1316H84Confident89.7Confident91 Ų9151.4 Ų51.442%0.42127%0.274SS..SBendtrans-138.3146.2-174.456.1-89.9000113.3N1292 T1314 S1318 I1321N1292-H1316 VanDerWaalsContact OD1-CA 3.26Å; N1292-H1316 WeakPolarHBondContact OD1-CA 3.49Å; T1314-H1316 VanDerWaalsContact C-N 3.33Å; H1316-S1318 PolarHBondContact O-N 3.3Å; H1316-I1321 VanDerWaalsContact O-CD1 3.25Å; H1316-I1321 WeakPolarHBondContact O-CD1 3.35Å
1317M86.8Confident89.4Confident5 Ų550.2 Ų50.23%0.02527%0.27CS..  trans-56131.4168.5-78.1-168.4-72.700110.1I1257 Y1272 E1277 A1279 I1290 N1292 Y1298I1257-M1317 HydrophobicContact CD1-CG 4.39Å; I1257-M1317 HydrophobicContact CD1-SD 3.96Å; Y1272-M1317 HydrophobicContact CD2-CB 4.48Å; Y1272-M1317 HydrophobicContact CD2-SD 4.09Å; Y1272-M1317 HydrophobicContact CE2-CB 3.69Å; Y1272-M1317 HydrophobicContact CE2-CE 4.27Å; Y1272-M1317 HydrophobicContact CE2-CG 4.44Å; Y1272-M1317 HydrophobicContact CE2-SD 4.01Å; Y1272-M1317 PolarHBondContact OH-O 3.1Å; E1277-M1317 WeakPolarHBondContact O-CE 3.5Å; A1279-M1317 HydrophobicContact CB-SD 4.18Å; I1290-M1317 HydrophobicContact CG2-CE 4.48Å; N1292-M1317 HydrophobicContact CB-CE 4.45Å; N1292-M1317 PolarHBondContact OD1-N 3.28Å; Y1298-M1317 HydrophobicContact CE1-CG 4.1Å
1318S88.5Confident88.5Confident19 Ų1945.8 Ų45.813%0.13327%0.266CS..  trans-146.6169-17967.60000108.9H1316 I1320 I1321H1316-S1318 PolarHBondContact O-N 3.3Å; S1318-I1320 PolarHBondContact O-N 2.89Å; S1318-I1320 PolarHBondContact OG-N 3.42Å; S1318-I1321 PolarHBondContact O-N 3.13Å
1319T89.8Confident86.8Confident62 Ų6254.9 Ų54.938%0.3830%0.3SS..THydrogen-bonded Turntrans-66.8-3.7177.349.40000114.3P1274P1274-T1319 HydrophobicContact CB-CG2 4.23Å; P1274-T1319 HydrophobicContact CG-CG2 4.33Å
1320I91Very high85.1Confident74 Ų7453 Ų5338%0.37929%0.29SS..THydrogen-bonded Turntrans-91.2-16.3179.7-48.4175.7000111.7K1300 S1318K1300-I1320 HydrophobicContact CD-CG2 4.39Å; S1318-I1320 PolarHBondContact O-N 2.89Å; S1318-I1320 PolarHBondContact OG-N 3.42Å
1321I93.6Very high83.4Confident2 Ų253.8 Ų53.81%0.0129%0.289CS..  trans-92.2128.3-175.6-71.2155.8000110.3I1257 Y1298 I1311 H1316 S1318 A1323 I1324I1257-I1321 HydrophobicContact CD1-CG2 4.47Å; Y1298-I1321 HydrophobicContact CD1-CD1 3.52Å; Y1298-I1321 HydrophobicContact CD1-CG1 4.35Å; Y1298-I1321 HydrophobicContact CD1-CG2 4.34Å; Y1298-I1321 HydrophobicContact CE1-CD1 4.18Å; Y1298-I1321 HydrophobicContact CG-CD1 3.99Å; I1311-I1321 HydrophobicContact CD1-CG1 3.78Å; H1316-I1321 VanDerWaalsContact O-CD1 3.25Å; H1316-I1321 WeakPolarHBondContact O-CD1 3.35Å; S1318-I1321 PolarHBondContact O-N 3.13Å; I1321-A1323 WeakPolarHBondContact CG2-O 3.44Å; I1321-I1324 HydrophobicContact CG2-CG2 3.81Å
1322D95.2Very high81.2Confident10 Ų1057.9 Ų57.95%0.05331%0.312CS..  trans-104.1-24.5179.7-63.2-57.3000112.7N1219 I1223 I1257 I1258 Y1299 Y1301 F1308N1219-D1322 PolarHBondContact ND2-OD1 3.07Å; I1223-D1322 HydrophobicContact CD1-CB 3.88Å; I1223-D1322 WeakPolarHBondContact CD1-O 3.45Å; I1257-D1322 WeakPolarHBondContact CA-O 3.38Å; I1258-D1322 PolarHBondContact N-O 2.89Å; Y1299-D1322 PolarHBondContact O-N 3.22Å; Y1301-D1322 PolarHBondContact N-OD2 3.42Å; F1308-D1322 HydrophobicContact CE1-CB 4.43Å
1323A95.5Very high79.2Confident0 Ų058.9 Ų58.90%031%0.306CS..EExtended strand (participates in β ladder)trans-147.9156176.700000113I1258 L1260 Y1299 F1308 I1321I1258-A1323 HydrophobicContact CB-CB 4.06Å; I1258-A1323 CarbonylContact O-C 3.49Å; I1258-A1323 WeakPolarHBondContact O-CA 3.49Å; I1258-A1323 WeakPolarHBondContact O-CB 3.41Å; L1260-A1323 HydrophobicContact CD1-CB 3.85Å; L1260-A1323 HydrophobicContact CG-CB 4.1Å; Y1299-A1323 PolarHBondContact N-O 3.5Å; Y1299-A1323 PolarHBondContact O-N 3.14Å; Y1299-A1323 VanDerWaalsContact O-N 3.07Å; F1308-A1323 HydrophobicContact CD1-CB 3.8Å; F1308-A1323 HydrophobicContact CE1-CB 3.4Å; F1308-A1323 HydrophobicContact CZ-CB 3.93Å; I1321-A1323 WeakPolarHBondContact CG2-O 3.44Å
1324I94.3Very high77.4Confident0 Ų056.1 Ų56.10%029%0.287CS..EExtended strand (participates in β ladder)trans-136.7152.4179.760.2-178000111.1I1257 I1258 L1259 L1260 I1290 V1295 K1297 Y1298 I1321I1257-I1324 HydrophobicContact CG2-CB 4.19Å; I1257-I1324 HydrophobicContact CG2-CD1 3.86Å; I1257-I1324 HydrophobicContact CG2-CG1 3.63Å; I1257-I1324 HydrophobicContact CG2-CG2 3.84Å; I1258-I1324 PolarHBondContact O-N 2.82Å; L1259-I1324 HydrophobicContact CD1-CG1 4.36Å; L1260-I1324 PolarHBondContact N-O 3.4Å; I1290-I1324 HydrophobicContact CD1-CD1 3.84Å; I1290-I1324 HydrophobicContact CG2-CD1 3.93Å; V1295-I1324 HydrophobicContact CG1-CB 3.9Å; V1295-I1324 HydrophobicContact CG1-CG2 3.98Å; V1295-I1324 HydrophobicContact CG2-CB 4.5Å; V1295-I1324 HydrophobicContact CG2-CD1 4.08Å; K1297-I1324 WeakPolarHBondContact O-CA 3.43Å; Y1298-I1324 HydrophobicContact CD1-CG2 3.9Å; Y1298-I1324 HydrophobicContact CE1-CG2 4.42Å; I1321-I1324 HydrophobicContact CG2-CG2 3.81Å
1325Q93.5Very high75.4Confident20 Ų2059.8 Ų59.89%0.09331%0.309CS..EExtended strand (participates in β ladder)trans-115.3132.3167-170.6171.619.300108.7K1261 D1296 K1297 Y1299K1261-Q1325 PolarHBondContact O-NE2 3.07Å; D1296-Q1325 WeakPolarHBondContact CB-O 3.48Å; D1296-Q1325 PolarHBondContact N-O 3.17Å; K1297-Q1325 HydrophobicContact CB-CB 4.24Å; K1297-Q1325 PolarHBondContact N-O 2.91Å; K1297-Q1325 PolarHBondContact O-N 3.27Å; Y1299-Q1325 HydrophobicContact CE2-CB 4.12Å
1326L92.3Very high73.1Confident3 Ų363.8 Ų63.82%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-85.7146.3178.4-71.9173.1000111.5L1259 P1287 I1290 M1294 V1295 R1331L1259-L1326 HydrophobicContact CD1-CB 4.27Å; L1259-L1326 HydrophobicContact CD1-CD1 3.69Å; L1259-L1326 HydrophobicContact CD1-CG 3.56Å; L1259-L1326 HydrophobicContact CD2-CD1 4Å; P1287-L1326 HydrophobicContact CG-CD1 3.87Å; I1290-L1326 HydrophobicContact CD1-CD1 3.96Å; I1290-L1326 HydrophobicContact CD1-CD2 4.16Å; I1290-L1326 HydrophobicContact CD1-CG 4.3Å; I1290-L1326 HydrophobicContact CG1-CD1 4.31Å; I1290-L1326 HydrophobicContact CG1-CD2 4.28Å; I1290-L1326 HydrophobicContact CG2-CD2 3.86Å; M1294-L1326 HydrophobicContact CB-CD2 3.66Å; M1294-L1326 WeakPolarHBondContact O-CD2 3.48Å; V1295-L1326 HydrophobicContact CG2-CD2 4.44Å; L1326-R1331 HydrophobicContact CB-CG 4.46Å; L1326-R1331 VanDerWaalsContact O-CZ 3.28Å; L1326-R1331 PolarHBondContact O-NE 3.21Å; L1326-R1331 PolarHBondContact O-NH2 3.4Å
1327H86.7Confident70.5Confident87 Ų8763.4 Ų63.440%0.40332%0.323SS..  trans-49.5140.7170.2-83.489.5000110.8M1294 V1295 D1296 R1329 S1330 R1331M1294-H1327 PolarHBondContact O-N 3.16Å; M1294-H1327 VanDerWaalsContact O-N 3.07Å; M1294-H1327 PolarHBondContact O-ND1 2.83Å; V1295-H1327 PolarHBondContact O-CE1 3.09Å; V1295-H1327 PolarHBondContact O-ND1 3.14Å; D1296-H1327 HydrophobicContact CB-CB 4.44Å; H1327-R1329 PolarHBondContact O-N 2.93Å; H1327-S1330 WeakPolarHBondContact O-CB 3.13Å; H1327-S1330 PolarHBondContact O-N 3.2Å; H1327-R1331 PolarHBondContact O-N 2.97Å
1328G72.3Confident67.8Low43 Ų4372.7 Ų72.744%0.44336%0.359SS..Hα-helixtrans-52-36.6-177.100000113.9S1330 R1331G1328-S1330 VanDerWaalsContact C-N 3.34Å; G1328-S1330 PolarHBondContact O-N 3.05Å; G1328-R1331 PolarHBondContact O-N 3.35Å
1329R58.3Low65Low208 Ų20875.4 Ų75.479%0.78538%0.382SS*.Hα-helixtrans-64-34.3177.1-159.1173.8-169164.73.1113.2H1327 Y1333H1327-R1329 PolarHBondContact O-N 2.93Å; R1329-Y1333 WeakPolarHBondContact O-CD2 3.45Å; R1329-Y1333 WeakPolarHBondContact O-CE2 3.42Å
1330S57.7Low62.1Low24 Ų2476 Ų7617%0.16839%0.393CS..Hα-helixtrans-75.3-26.2-177.9-58.10000113H1327 G1328 N1332 Y1333H1327-S1330 WeakPolarHBondContact O-CB 3.13Å; H1327-S1330 PolarHBondContact O-N 3.2Å; G1328-S1330 VanDerWaalsContact C-N 3.34Å; G1328-S1330 PolarHBondContact O-N 3.05Å; S1330-N1332 PolarHBondContact O-N 3.36Å; S1330-Y1333 PolarHBondContact O-N 2.63Å
1331R56.2Low59.2Low91 Ų9181.4 Ų81.434%0.34342%0.417SS..Hα-helixtrans-62.6-29.9179.5-56.9178.9-163.7173.56.7112.4K1261 L1326 H1327 G1328 Y1333K1261-R1331 PolarHBondContact O-NH1 2.9Å; K1261-R1331 VanDerWaalsContact O-NH1 3.07Å; L1326-R1331 HydrophobicContact CB-CG 4.46Å; L1326-R1331 VanDerWaalsContact O-CZ 3.28Å; L1326-R1331 PolarHBondContact O-NE 3.21Å; L1326-R1331 PolarHBondContact O-NH2 3.4Å; H1327-R1331 PolarHBondContact O-N 2.97Å; G1328-R1331 PolarHBondContact O-N 3.35Å; R1331-Y1333 VanDerWaalsContact C-N 3.33Å; R1331-Y1333 PolarHBondContact O-N 3.39Å
1332N44.8Very low56.1Low113 Ų11387.2 Ų87.260%0.60445%0.453SS*.G310 helixtrans-78.2-9.7-174.7-67-14000114.7S1330 S1334 T1335S1330-N1332 PolarHBondContact O-N 3.36Å; N1332-S1334 VanDerWaalsContact C-N 3.28Å; N1332-S1334 PolarHBondContact O-N 3.37Å; N1332-T1335 PolarHBondContact O-OG1 3.44Å
1333Y45.8Very low52.9Low162 Ų16292.4 Ų92.464%0.63549%0.485SS*.G310 helixtrans-77.2-11.9178.4-72.2-90.8000113.5R1329 S1330 R1331R1329-Y1333 WeakPolarHBondContact O-CD2 3.45Å; R1329-Y1333 WeakPolarHBondContact O-CE2 3.42Å; S1330-Y1333 PolarHBondContact O-N 2.63Å; R1331-Y1333 VanDerWaalsContact C-N 3.33Å; R1331-Y1333 PolarHBondContact O-N 3.39Å
1334S42.1Very low49.8Very low44 Ų44100.4 Ų100.431%0.30853%0.527SS..G310 helixtrans-80.8-12.2-178.1-166.20000114.7N1332N1332-S1334 VanDerWaalsContact C-N 3.28Å; N1332-S1334 PolarHBondContact O-N 3.37Å
1335T35.8Very low46.6Very low103 Ų103105 Ų10563%0.63256%0.56SS**SBendtrans-104.3-19.4-172.551.50000114.8N1332N1332-T1335 PolarHBondContact O-OG1 3.44Å
1336K30.9Very low43.7Very low178 Ų178110.5 Ų110.577%0.77460%0.595SS**SBendtrans-87.8-9.6-177.2-68.8-165.6173.8-170.40115.2
1337S30Very low40.7Very low84 Ų84119.4 Ų119.459%0.58763%0.633SS**SBendtrans-92.4-12.1-170.3-480000115.6
1338Y30.2Very low37.9Very low200 Ų200120.7 Ų120.778%0.78465%0.651SS**SBendtrans-126.5-6-175.5-69-79.1000114.4
1339A28.7Very low36.1Very low76 Ų76123.9 Ų123.963%0.62866%0.664SS**SBendtrans-9516.3179.200000113.7
1340A30Very low34.9Very low73 Ų73121.6 Ų121.660%0.60367%0.666SS**SBendtrans-123.916.3-169.800000114.2
1341Q29.3Very low33.7Very low188 Ų188127.3 Ų127.388%0.87969%0.69SS**SBendtrans-134.320.3-177.9-70-169.8-22.800114.3
1342T28.5Very low32.6Very low125 Ų125127.9 Ų127.977%0.76772%0.715SS**SBendtrans-136.127.7178.546.60000113.8
1343T28.4Very low32Very low119 Ų119134.1 Ų134.173%0.7374%0.736SS**  trans-128.927.217851.10000114.1S1345T1343-S1345 PolarHBondContact O-N 3.24Å
1344N30Very low31.3Very low167 Ų167132.8 Ų132.889%0.89374%0.741SS**  trans-71.9101.1164.8-93.27.1000109.8T1346N1344-T1346 PolarHBondContact O-N 3.05Å
1345S27.5Very low30.8Very low98 Ų98137.4 Ų137.469%0.68576%0.764SS**  trans-58.6114.8175.1160.30000112.3T1343 K1347T1343-S1345 PolarHBondContact O-N 3.24Å; S1345-K1347 PolarHBondContact OG-N 3.24Å
1346T31.3Very low30.5Very low135 Ų135139.3 Ų139.383%0.82877%0.772SS**  trans-10758.1147.755.50000110.2N1344 C1348N1344-T1346 PolarHBondContact O-N 3.05Å; T1346-C1348 PolarHBondContact O-N 3.3Å
1347K31.2Very low30.5Very low189 Ų189137.1 Ų137.182%0.82277%0.771SS**  trans-68.3111.8153.7-102.6-169.4174-174.80107.7S1345S1345-K1347 PolarHBondContact OG-N 3.24Å
1348C27.5Very low30.5Very low114 Ų114140.4 Ų140.477%0.7778%0.783SS**  trans-60.6129.1168.8-57.50000109.3T1346T1346-C1348 PolarHBondContact O-N 3.3Å
1349P32.9Very low30.5Very low111 Ų111136.4 Ų136.472%0.72178%0.783SS**  trans-73.6169.2158.134.4-33.5000109.5
1350L33.6Very low30.6Very low159 Ų159140.7 Ų140.783%0.83279%0.794SS**  trans73.1142.3-169.2-48.8171.6000112.9
1351H33.5Very low30.7Very low145 Ų145145.9 Ų145.967%0.67181%0.809SS**  cis-124.8147.67.7-149.4-109.9000111.8K1353H1351-K1353 PolarHBondContact ND1-N 2.72Å; H1351-K1353 PolarHBondContact ND1-O 3.37Å
1352A31.9Very low30.8Very low103 Ų103142.4 Ų142.485%0.85180%0.803SS**  trans-127.662.717100000109.1
1353K33.2Very low31Very low244 Ų244144 Ų144100%1.06181%0.806SS**  trans-173.20169.6-111.6176.8-178.8-176.80109.5H1351H1351-K1353 PolarHBondContact ND1-N 2.72Å; H1351-K1353 PolarHBondContact ND1-O 3.37Å

Retrieved 1,353 of 1,353 residues in 260.1 ms (Link to these results)

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