A0A096NLX7_PAPAN Loading...

Engulfment and cell motility 2

Involved in cytoskeletal rearrangements required for phagocytosis of apoptotic cells and cell motility. Acts in association with DOCK1 and CRK. Was initially proposed to be required in complex with DOCK1 to activate Rac Rho small GTPases. May enhance the guanine nucleotide exchange factor (GEF) activity of DOCK1.

AlphaFold DB (A0A2K5L4W5), UniProt , Accession A0A096NLX7, Species PAPAN (Papio anubis, Olive baboon), Gene ELMO2, Length 720 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
1M33.9Very low71.2Confident232 Ų23276.8 Ų76.8100%1.14344%0.443SS*.  0132.30-75.2174-174.700106.8
2P40.5Very low73.4Confident116 Ų11670.4 Ų70.475%0.75341%0.406SS*.PPolyproline II helixtrans-55.2142.3163.725.8-31.2000108.1
3P46.8Very low75.2Confident76 Ų7671.9 Ų71.949%0.49441%0.407SS..PPolyproline II helixtrans-53.9144.817422.9-30.8000109S5P3-S5 PolarHBondContact O-N 2.63Å
4P56.1Low76.7Confident78 Ų7871.9 Ų71.951%0.50640%0.397SS..PPolyproline II helixtrans-50.4139.2170.3-20.330.4000109.2D6 I7P4-D6 PolarHBondContact O-N 2.9Å; P4-I7 HydrophobicContact CB-CD1 4.33Å; P4-I7 HydrophobicContact CB-CG1 4.26Å; P4-I7 HydrophobicContact CG-CD1 3.82Å; P4-I7 HydrophobicContact CG-CG1 4.29Å; P4-I7 PolarHBondContact O-N 3.18Å
5S62.8Low77.8Confident112 Ų11274.3 Ų74.378%0.78342%0.418SS*.THydrogen-bonded Turntrans-51.6-22.2179.852.60000113.7P3P3-S5 PolarHBondContact O-N 2.63Å
6D80.4Confident78.6Confident49 Ų4975.5 Ų75.526%0.26245%0.452SS..THydrogen-bonded Turntrans-96.75.6-173.2-48.3-24.4000112.8P4 D25 Q26 K27P4-D6 PolarHBondContact O-N 2.9Å; D6-D25 CarbonylContact O-C 3.49Å; D6-Q26 HydrophobicContact CB-CB 4.44Å; D6-Q26 VanDerWaalsContact O-CB 3.32Å; D6-Q26 WeakPolarHBondContact O-CB 3.32Å; D6-Q26 WeakPolarHBondContact O-CG 3.44Å; D6-Q26 PolarHBondContact O-N 2.97Å; D6-K27 WeakPolarHBondContact OD2-CE 3Å; D6-K27 IonicContact OD2-NZ 2.63Å; D6-K27 PolarHBondContact OD2-NZ 2.77Å
7I88.8Confident79.4Confident44 Ų4473.4 Ų73.423%0.22644%0.444CS..EExtended strand (participates in β ladder)trans-113.2124.4178.3-60.4-177000110.6P4 E23 I24P4-I7 HydrophobicContact CB-CD1 4.33Å; P4-I7 HydrophobicContact CB-CG1 4.26Å; P4-I7 HydrophobicContact CG-CD1 3.82Å; P4-I7 HydrophobicContact CG-CG1 4.29Å; P4-I7 PolarHBondContact O-N 3.18Å; I7-E23 HydrophobicContact CG2-CB 3.71Å; I7-I24 CarbonylContact C-O 3.5Å; I7-I24 WeakPolarHBondContact CA-O 3.31Å
8V90.6Very high80.2Confident13 Ų1377.6 Ų77.68%0.07946%0.464CS..EExtended strand (participates in β ladder)trans-118.1124.8177.9-175.80000110.6V10 I24 Q26 I69 K70V8-V10 HydrophobicContact CG1-CG1 4Å; V8-I24 PolarHBondContact N-O 2.78Å; V8-I24 PolarHBondContact O-N 3.02Å; V8-Q26 HydrophobicContact CG2-CG 4.04Å; V8-I69 HydrophobicContact CG1-CG2 3.93Å; V8-K70 WeakPolarHBondContact CG1-O 3.42Å
9K92.3Very high80.9Confident100 Ų10075.9 Ų75.944%0.43546%0.46SS..EExtended strand (participates in β ladder)trans-86122.7177.3-51.5-165.1-171.3-146.10110.2L22 E23 N71 G72K9-L22 WeakPolarHBondContact CA-O 3.4Å; K9-E23 HydrophobicContact CD-CG 4.42Å; K9-E23 WeakPolarHBondContact CE-OE1 3.06Å; K9-E23 HydrophobicContact CG-CG 4.12Å; K9-E23 IonicContact NZ-OE1 2.85Å; K9-E23 PolarHBondContact NZ-OE1 2.89Å; K9-N71 WeakPolarHBondContact CB-OD1 3.47Å; K9-N71 WeakPolarHBondContact CG-OD1 3.45Å; K9-N71 PolarHBondContact N-OD1 3.38Å; K9-N71 WeakPolarHBondContact O-CA 3.45Å; K9-G72 PolarHBondContact O-N 3.43Å
10V95.5Very high81.7Confident6 Ų674 Ų744%0.03645%0.445CS..EExtended strand (participates in β ladder)trans-133.3156.9-179.6-61.30000111.3V8 I12 L22 I24 I69 T73 L75V8-V10 HydrophobicContact CG1-CG1 4Å; V10-I12 HydrophobicContact CG2-CD1 4.2Å; V10-I12 HydrophobicContact CG2-CG1 3.92Å; V10-L22 HydrophobicContact CG2-CB 4.37Å; V10-L22 PolarHBondContact N-O 2.68Å; V10-L22 PolarHBondContact O-N 3.41Å; V10-I24 HydrophobicContact CG1-CD1 4.42Å; V10-I24 HydrophobicContact CG2-CD1 3.44Å; V10-I24 VanDerWaalsContact CG2-CD1 3.44Å; V10-I24 HydrophobicContact CG2-CG1 3.86Å; V10-I69 HydrophobicContact CG1-CG2 3.67Å; V10-T73 WeakPolarHBondContact CA-O 3.37Å; V10-T73 WeakPolarHBondContact CB-O 3.39Å; V10-L75 HydrophobicContact CB-CD1 4.31Å; V10-L75 HydrophobicContact CB-CG 4.5Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 HydrophobicContact CG2-CD1 4.26Å
11A95.7Very high82.4Confident19 Ų1977.6 Ų77.616%0.15746%0.461CS..EExtended strand (participates in β ladder)trans-102.3129163.300000108.3L21 T73 I74 L75A11-L21 HydrophobicContact CB-CD2 3.72Å; A11-T73 PolarHBondContact N-O 2.9Å; A11-I74 WeakPolarHBondContact O-CA 3.16Å; A11-L75 PolarHBondContact O-N 3.12Å
12I97.4Very high85.2Confident0 Ų067.3 Ų67.30%041%0.411CS..EExtended strand (participates in β ladder)trans-111.3124.6176.5-49.2-177.7000108.6V10 A19 Q20 L22 V37 W41 L51 L75 L77V10-I12 HydrophobicContact CG2-CD1 4.2Å; V10-I12 HydrophobicContact CG2-CG1 3.92Å; I12-A19 CarbonylContact O-C 3.53Å; I12-A19 VanDerWaalsContact O-CA 3.23Å; I12-A19 WeakPolarHBondContact O-CA 3.42Å; I12-Q20 PolarHBondContact N-O 3.49Å; I12-Q20 PolarHBondContact O-N 3.16Å; I12-L22 HydrophobicContact CD1-CD1 4.02Å; I12-L22 HydrophobicContact CD1-CD2 4.36Å; I12-L22 HydrophobicContact CG1-CD1 4.31Å; I12-V37 HydrophobicContact CD1-CG2 3.57Å; I12-V37 HydrophobicContact CG2-CG1 4.11Å; I12-W41 HydrophobicContact CB-CH2 4.33Å; I12-W41 HydrophobicContact CG2-CH2 3.99Å; I12-W41 HydrophobicContact CG2-CZ3 4.29Å; I12-W41 WeakPolarHBondContact O-CH2 3.33Å; I12-W41 VanDerWaalsContact O-CZ2 3.27Å; I12-W41 WeakPolarHBondContact O-CZ2 3.32Å; I12-L51 HydrophobicContact CD1-CD1 4.43Å; I12-L51 HydrophobicContact CD1-CD2 4.05Å; I12-L51 HydrophobicContact CG2-CD2 4.04Å; I12-L75 CarbonylContact C-O 3.6Å; I12-L75 VanDerWaalsContact CA-O 3.32Å; I12-L75 WeakPolarHBondContact CA-O 3.27Å; I12-L75 HydrophobicContact CG1-CB 4.29Å; I12-L77 HydrophobicContact CG2-CB 4.3Å
13E97.1Very high87.7Confident90 Ų9067.2 Ų67.242%0.42140%0.401SS..EExtended strand (participates in β ladder)trans-102.7151.9-177.9-61.6-170.5162.400112.6A19 I74 L75 Q76 L77E13-A19 HydrophobicContact CG-CB 4.1Å; E13-I74 HydrophobicContact CG-CG2 3.81Å; E13-L75 PolarHBondContact N-O 2.8Å; E13-Q76 WeakPolarHBondContact O-CA 3.39Å; E13-L77 PolarHBondContact O-N 2.75Å
14W95.6Very high89.9Confident71 Ų7163.8 Ų63.827%0.26938%0.378SS..  trans-144.9137.1172.1175-101.2000110.1G16 A17 W41 L43 Y49 L77W14-G16 PolarHBondContact O-N 3.25Å; W14-A17 HydrophobicContact CB-CB 4.32Å; W14-A17 PolarHBondContact O-N 2.95Å; W14-W41 HydrophobicContact CB-CD2 3.85Å; W14-W41 HydrophobicContact CB-CE3 3.57Å; W14-W41 HydrophobicContact CB-CH2 3.44Å; W14-W41 VanDerWaalsContact CB-CH2 3.44Å; W14-W41 HydrophobicContact CB-CZ2 3.71Å; W14-W41 HydrophobicContact CB-CZ3 3.38Å; W14-W41 HydrophobicContact CG-CD2 4.33Å; W14-W41 HydrophobicContact CG-CE3 4.05Å; W14-W41 HydrophobicContact CG-CZ3 4.24Å; W14-L43 HydrophobicContact CD2-CD1 4.01Å; W14-L43 HydrophobicContact CE3-CD1 4.32Å; W14-L43 HydrophobicContact CH2-CD1 4.48Å; W14-L43 HydrophobicContact CZ2-CD1 4.17Å; W14-L43 HydrophobicContact CZ2-CD2 4.13Å; W14-Y49 HydrophobicContact CH2-CD1 4.47Å; W14-Y49 AromaticContact CH2-CE1 3.7Å; W14-Y49 HydrophobicContact CH2-CE1 3.7Å; W14-Y49 HydrophobicContact CZ3-CD1 4.2Å; W14-Y49 AromaticContact CZ3-CE1 3.86Å; W14-Y49 HydrophobicContact CZ3-CE1 3.86Å; W14-L77 HydrophobicContact CE3-CB 4.03Å; W14-L77 HydrophobicContact CE3-CD2 4.09Å; W14-L77 HydrophobicContact CE3-CG 4.31Å; W14-L77 VanDerWaalsContact CE3-O 3.28Å; W14-L77 HydrophobicContact CZ3-CD2 4.46Å; W14-L77 WeakPolarHBondContact CZ3-O 3.18Å
15P93.2Very high91.6Very high108 Ų10862.5 Ų62.570%0.70137%0.367SS*.THydrogen-bonded Turntrans-54122.7-178.1-2835.8000113A17P15-A17 VanDerWaalsContact C-N 3.33Å
16G90.6Very high92.8Very high94 Ų9459.2 Ų59.297%0.96934%0.339SS*.THydrogen-bonded Turntrans78.79178.400000115.4W14W14-G16 PolarHBondContact O-N 3.25Å
17A93.2Very high93.2Very high39 Ų3964.4 Ų64.432%0.32236%0.36SS..SBendtrans-123157.5174.600000111.9W14 P15 W41W14-A17 HydrophobicContact CB-CB 4.32Å; W14-A17 PolarHBondContact O-N 2.95Å; P15-A17 VanDerWaalsContact C-N 3.33Å; A17-W41 HydrophobicContact CB-CG 4.38Å
18N92.6Very high93.4Very high149 Ų14966 Ų6680%0.79736%0.363SS*.PPolyproline II helixtrans-70.7142.7169.9-70-34.9000110W41N18-W41 PolarHBondContact O-NE1 2.78Å; N18-W41 VanDerWaalsContact O-NE1 3.07Å
19A95.1Very high93.6Very high46 Ų4669.1 Ų69.138%0.3838%0.383SS..PPolyproline II helixtrans-59.5138.3177.100000111.4I12 E13I12-A19 CarbonylContact O-C 3.53Å; I12-A19 VanDerWaalsContact O-CA 3.23Å; I12-A19 WeakPolarHBondContact O-CA 3.42Å; E13-A19 HydrophobicContact CG-CB 4.1Å
20Q96.6Very high93.6Very high37 Ų3764.9 Ų64.917%0.17337%0.365CS..EExtended strand (participates in β ladder)trans-90.9129.6170.5-64-177.530.300109.2I12 L22 V37 W41I12-Q20 PolarHBondContact N-O 3.49Å; I12-Q20 PolarHBondContact O-N 3.16Å; Q20-L22 HydrophobicContact CB-CD1 3.45Å; Q20-L22 VanDerWaalsContact CB-CD1 3.45Å; Q20-V37 PolarHBondContact NE2-O 3.07Å; Q20-W41 HydrophobicContact CB-CZ2 4.34Å; Q20-W41 HydrophobicContact CG-CD2 4.42Å; Q20-W41 HydrophobicContact CG-CH2 4.49Å; Q20-W41 HydrophobicContact CG-CZ2 3.76Å; Q20-W41 VanDerWaalsContact NE2-CE2 3.28Å
21L95.6Very high93.6Very high150 Ų15068 Ų6879%0.78539%0.392SS*.EExtended strand (participates in β ladder)trans-93.7114.3175.1-58.7179.5000108.7A11A11-L21 HydrophobicContact CB-CD2 3.72Å
22L93.1Very high93.6Very high17 Ų1769.4 Ų69.49%0.08940%0.4CS..EExtended strand (participates in β ladder)trans-118.9142.9-177.2-77.985.3000111.2K9 V10 I12 Q20 I24 I33 V37K9-L22 WeakPolarHBondContact CA-O 3.4Å; V10-L22 HydrophobicContact CG2-CB 4.37Å; V10-L22 PolarHBondContact N-O 2.68Å; V10-L22 PolarHBondContact O-N 3.41Å; I12-L22 HydrophobicContact CD1-CD1 4.02Å; I12-L22 HydrophobicContact CD1-CD2 4.36Å; I12-L22 HydrophobicContact CG1-CD1 4.31Å; Q20-L22 HydrophobicContact CB-CD1 3.45Å; Q20-L22 VanDerWaalsContact CB-CD1 3.45Å; L22-I24 HydrophobicContact CB-CG1 4.38Å; L22-I33 HydrophobicContact CD2-CG2 4.33Å; L22-V37 HydrophobicContact CD1-CG2 4.15Å; L22-V37 HydrophobicContact CD2-CG2 3.59Å
23E93.1Very high93.5Very high114 Ų11469.5 Ų69.553%0.53340%0.401SS..EExtended strand (participates in β ladder)trans-96.392.7163.3-58.5-162157.400107.7I7 K9 D25I7-E23 HydrophobicContact CG2-CB 3.71Å; K9-E23 HydrophobicContact CD-CG 4.42Å; K9-E23 WeakPolarHBondContact CE-OE1 3.06Å; K9-E23 HydrophobicContact CG-CG 4.12Å; K9-E23 IonicContact NZ-OE1 2.85Å; K9-E23 PolarHBondContact NZ-OE1 2.89Å; E23-D25 PolarHBondContact O-N 3.44Å
24I92.1Very high93.5Very high3 Ų365.7 Ų65.72%0.01538%0.383CS..EExtended strand (participates in β ladder)trans-70.8114.4-179.4-71.1180000109.3I7 V8 V10 L22 Q26 I33 L51 L75I7-I24 CarbonylContact C-O 3.5Å; I7-I24 WeakPolarHBondContact CA-O 3.31Å; V8-I24 PolarHBondContact N-O 2.78Å; V8-I24 PolarHBondContact O-N 3.02Å; V10-I24 HydrophobicContact CG1-CD1 4.42Å; V10-I24 HydrophobicContact CG2-CD1 3.44Å; V10-I24 VanDerWaalsContact CG2-CD1 3.44Å; V10-I24 HydrophobicContact CG2-CG1 3.86Å; L22-I24 HydrophobicContact CB-CG1 4.38Å; I24-Q26 PolarHBondContact O-N 3.27Å; I24-I33 HydrophobicContact CD1-CG2 4.16Å; I24-I33 HydrophobicContact CG1-CG2 4.06Å; I24-I33 HydrophobicContact CG2-CD1 3.61Å; I24-L51 HydrophobicContact CD1-CD1 4.42Å; I24-L75 HydrophobicContact CD1-CD1 4.49Å
25D91.5Very high93.6Very high52 Ų5267.8 Ų67.828%0.27839%0.394SS..EExtended strand (participates in β ladder)trans-75.6114.9164.6179.7-1.3000109.5D6 E23 K27 R28 R66D6-D25 CarbonylContact O-C 3.49Å; E23-D25 PolarHBondContact O-N 3.44Å; D25-K27 PolarHBondContact O-N 2.96Å; D25-K27 VanDerWaalsContact OD1-CB 3.31Å; D25-K27 WeakPolarHBondContact OD1-CB 3.45Å; D25-K27 PolarHBondContact OD1-N 2.75Å; D25-R28 HydrophobicContact CB-CB 4.35Å; D25-R28 HydrophobicContact CB-CG 3.91Å; D25-R28 WeakPolarHBondContact O-CB 3.41Å; D25-R28 PolarHBondContact O-N 2.74Å; D25-R66 PolarHBondContact O-NH2 3.29Å
26Q88.2Confident93.7Very high43 Ų4366.6 Ų66.620%0.20138%0.38CS..THydrogen-bonded Turntrans-64.4-16.6-179.6-67-70.216.700113.2D6 V8 I24 R66D6-Q26 HydrophobicContact CB-CB 4.44Å; D6-Q26 VanDerWaalsContact O-CB 3.32Å; D6-Q26 WeakPolarHBondContact O-CB 3.32Å; D6-Q26 WeakPolarHBondContact O-CG 3.44Å; D6-Q26 PolarHBondContact O-N 2.97Å; V8-Q26 HydrophobicContact CG2-CG 4.04Å; I24-Q26 PolarHBondContact O-N 3.27Å; Q26-R66 PolarHBondContact NE2-O 3.47Å; Q26-R66 PolarHBondContact O-NH2 2.76Å
27K89.1Confident94Very high158 Ų15862.1 Ų62.169%0.68733%0.333SS*.THydrogen-bonded Turntrans-82.2-19.8172.3-66.7165.9165.4154.80113D6 D25D6-K27 WeakPolarHBondContact OD2-CE 3Å; D6-K27 IonicContact OD2-NZ 2.63Å; D6-K27 PolarHBondContact OD2-NZ 2.77Å; D25-K27 PolarHBondContact O-N 2.96Å; D25-K27 VanDerWaalsContact OD1-CB 3.31Å; D25-K27 WeakPolarHBondContact OD1-CB 3.45Å; D25-K27 PolarHBondContact OD1-N 2.75Å
28R92.7Very high94.1Very high76 Ų7660.3 Ų60.329%0.28732%0.318SS..SBendtrans-78.3133.3176.5-72.1178.162.5-159.7-4.4109.7D25 S32 I33 E36 R66D25-R28 HydrophobicContact CB-CB 4.35Å; D25-R28 HydrophobicContact CB-CG 3.91Å; D25-R28 WeakPolarHBondContact O-CB 3.41Å; D25-R28 PolarHBondContact O-N 2.74Å; R28-S32 PolarHBondContact NH2-OG 3.24Å; R28-S32 VanDerWaalsContact NH2-OG 3.12Å; R28-I33 HydrophobicContact CB-CD1 4.34Å; R28-I33 HydrophobicContact CB-CG1 4.3Å; R28-E36 IonicContact CZ-OE2 3.23Å; R28-E36 VanDerWaalsContact CZ-OE2 3.23Å; R28-E36 IonicContact NH1-OE2 2.78Å; R28-E36 PolarHBondContact NH1-OE2 3.08Å; R28-E36 IonicContact NH2-OE2 2.75Å; R28-E36 PolarHBondContact NH2-OE2 3.32Å; R28-R66 VanDerWaalsContact O-CZ 3.29Å; R28-R66 PolarHBondContact O-NH1 3.22Å; R28-R66 PolarHBondContact O-NH2 2.97Å
29P94.5Very high94.3Very high79 Ų7957.9 Ų57.951%0.51331%0.305SS..  trans-56.5142.7175.2-24.833.8000112.1A31 S32 I33P29-A31 PolarHBondContact O-N 2.99Å; P29-S32 WeakPolarHBondContact O-CB 3.43Å; P29-S32 PolarHBondContact O-N 3.27Å; P29-I33 PolarHBondContact O-N 3.4Å
30L94.2Very high94.2Very high11 Ų1158.1 Ų58.16%0.05831%0.312CS..Hα-helixtrans-55.6-38.8179.1-75.4176000111.7S32 I33 I34 L51 I61 T62 E63 R66L30-S32 PolarHBondContact O-N 3.13Å; L30-I33 HydrophobicContact CD2-CD1 4.36Å; L30-I33 PolarHBondContact O-N 3.39Å; L30-I33 VanDerWaalsContact O-N 3.08Å; L30-I34 HydrophobicContact CB-CD1 4.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.42Å; L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.28Å; L30-I34 PolarHBondContact O-N 3.06Å; L30-L51 HydrophobicContact CD2-CD1 4.49Å; L30-I61 HydrophobicContact CD1-CG2 4.02Å; L30-I61 HydrophobicContact CD2-CG2 4.33Å; L30-T62 VanDerWaalsContact CD1-C 3.42Å; L30-E63 WeakPolarHBondContact CB-OE1 3.29Å; L30-E63 HydrophobicContact CD1-CG 4.28Å; L30-E63 PolarHBondContact N-OE1 2.92Å; L30-R66 HydrophobicContact CD1-CB 4.4Å; L30-R66 HydrophobicContact CD2-CB 4.3Å
31A94.9Very high94.2Very high71 Ų7158.3 Ų58.359%0.58731%0.311SS*.Hα-helixtrans-58.5-34.5177.200000113.2P29 K35P29-A31 PolarHBondContact O-N 2.99Å; A31-K35 WeakPolarHBondContact O-CB 3.3Å; A31-K35 PolarHBondContact O-N 3.47Å
32S95.9Very high94.2Very high49 Ų4956.3 Ų56.334%0.34331%0.31SS..Hα-helixtrans-71.7-38.6176176.70000111.8R28 P29 L30 K35 E36R28-S32 PolarHBondContact NH2-OG 3.24Å; R28-S32 VanDerWaalsContact NH2-OG 3.12Å; P29-S32 WeakPolarHBondContact O-CB 3.43Å; P29-S32 PolarHBondContact O-N 3.27Å; L30-S32 PolarHBondContact O-N 3.13Å; S32-K35 PolarHBondContact O-N 3.35Å; S32-E36 PolarHBondContact O-N 2.99Å; S32-E36 VanDerWaalsContact O-N 3.16Å
33I95.5Very high94.3Very high2 Ų256.8 Ų56.81%0.0131%0.312CS..Hα-helixtrans-67-46.8177.6-63158.6000109.6L22 I24 R28 P29 L30 K35 E36 V37L22-I33 HydrophobicContact CD2-CG2 4.33Å; I24-I33 HydrophobicContact CD1-CG2 4.16Å; I24-I33 HydrophobicContact CG1-CG2 4.06Å; I24-I33 HydrophobicContact CG2-CD1 3.61Å; R28-I33 HydrophobicContact CB-CD1 4.34Å; R28-I33 HydrophobicContact CB-CG1 4.3Å; P29-I33 PolarHBondContact O-N 3.4Å; L30-I33 HydrophobicContact CD2-CD1 4.36Å; L30-I33 PolarHBondContact O-N 3.39Å; L30-I33 VanDerWaalsContact O-N 3.08Å; I33-K35 VanDerWaalsContact C-N 3.28Å; I33-K35 PolarHBondContact O-N 2.83Å; I33-E36 WeakPolarHBondContact O-CB 3.06Å; I33-E36 PolarHBondContact O-N 2.84Å; I33-E36 VanDerWaalsContact O-N 3.13Å; I33-V37 HydrophobicContact CG2-CG2 4.49Å; I33-V37 WeakPolarHBondContact O-CG2 3.4Å; I33-V37 PolarHBondContact O-N 2.85Å
34I96.9Very high94.3Very high11 Ų1155.3 Ų55.36%0.05631%0.313CS..Hα-helixtrans-58.2-43.1176.9-68158.8000110.6L30 E36 V37 C38 P46 L51 L77L30-I34 HydrophobicContact CB-CD1 4.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.42Å; L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.28Å; L30-I34 PolarHBondContact O-N 3.06Å; I34-E36 PolarHBondContact O-N 3.29Å; I34-V37 PolarHBondContact O-N 2.92Å; I34-C38 WeakPolarHBondContact O-CB 3.45Å; I34-C38 PolarHBondContact O-N 3.21Å; I34-C38 PolarHBondContact O-SG 3.45Å; I34-P46 HydrophobicContact CG2-CB 4.46Å; I34-P46 WeakPolarHBondContact CG2-O 3.32Å; I34-L51 HydrophobicContact CG1-CD2 4.49Å; I34-L51 HydrophobicContact CG1-CG 4.08Å; I34-L77 HydrophobicContact CG2-CD1 4.19Å
35K96.6Very high94.5Very high114 Ų11458.6 Ų58.650%0.49633%0.33SS..Hα-helixtrans-58.3-46.5175.6-179.3174.1179.6-174.80112.4A31 S32 I33 V37 C38 D39 P46A31-K35 WeakPolarHBondContact O-CB 3.3Å; A31-K35 PolarHBondContact O-N 3.47Å; S32-K35 PolarHBondContact O-N 3.35Å; I33-K35 VanDerWaalsContact C-N 3.28Å; I33-K35 PolarHBondContact O-N 2.83Å; K35-V37 VanDerWaalsContact C-N 3.34Å; K35-V37 PolarHBondContact O-N 3.28Å; K35-C38 PolarHBondContact O-N 2.88Å; K35-D39 WeakPolarHBondContact O-CB 3.45Å; K35-D39 PolarHBondContact O-N 3.34Å; K35-P46 HydrophobicContact CB-CB 4.03Å; K35-P46 HydrophobicContact CB-CG 4.17Å; K35-P46 HydrophobicContact CG-CB 4.34Å; K35-P46 HydrophobicContact CG-CG 4.06Å
36E96.3Very high94.6Very high84 Ų8457.6 Ų57.639%0.39333%0.327SS..Hα-helixtrans-59.8-44.1176.9-179179.9164.600112R28 S32 I33 I34 D39 G40R28-E36 IonicContact CZ-OE2 3.23Å; R28-E36 VanDerWaalsContact CZ-OE2 3.23Å; R28-E36 IonicContact NH1-OE2 2.78Å; R28-E36 PolarHBondContact NH1-OE2 3.08Å; R28-E36 IonicContact NH2-OE2 2.75Å; R28-E36 PolarHBondContact NH2-OE2 3.32Å; S32-E36 PolarHBondContact O-N 2.99Å; S32-E36 VanDerWaalsContact O-N 3.16Å; I33-E36 WeakPolarHBondContact O-CB 3.06Å; I33-E36 PolarHBondContact O-N 2.84Å; I33-E36 VanDerWaalsContact O-N 3.13Å; I34-E36 PolarHBondContact O-N 3.29Å; E36-D39 PolarHBondContact O-N 2.86Å; E36-G40 PolarHBondContact O-N 3.12Å
37V96.1Very high94.8Very high0 Ų061.2 Ų61.20%034%0.344CS..Hα-helixtrans-63.5-46177.4175.70000111.4I12 Q20 L22 I33 I34 K35 G40 W41 L77I12-V37 HydrophobicContact CD1-CG2 3.57Å; I12-V37 HydrophobicContact CG2-CG1 4.11Å; Q20-V37 PolarHBondContact NE2-O 3.07Å; L22-V37 HydrophobicContact CD1-CG2 4.15Å; L22-V37 HydrophobicContact CD2-CG2 3.59Å; I33-V37 HydrophobicContact CG2-CG2 4.49Å; I33-V37 WeakPolarHBondContact O-CG2 3.4Å; I33-V37 PolarHBondContact O-N 2.85Å; I34-V37 PolarHBondContact O-N 2.92Å; K35-V37 VanDerWaalsContact C-N 3.34Å; K35-V37 PolarHBondContact O-N 3.28Å; V37-G40 PolarHBondContact O-N 2.98Å; V37-W41 HydrophobicContact CG1-CE3 3.76Å; V37-W41 HydrophobicContact CG1-CH2 4.1Å; V37-W41 HydrophobicContact CG1-CZ3 3.38Å; V37-W41 PolarHBondContact O-N 2.65Å; V37-L77 HydrophobicContact CG1-CD1 4.34Å; V37-L77 HydrophobicContact CG1-CD2 4.28Å
38C96.5Very high95.1Very high0 Ų058.1 Ų58.10%033%0.328CS..Hα-helixtrans-61.2-44.5176.7-730000111.6I34 K35 G40 W41 S42 L43 P46I34-C38 WeakPolarHBondContact O-CB 3.45Å; I34-C38 PolarHBondContact O-N 3.21Å; I34-C38 PolarHBondContact O-SG 3.45Å; K35-C38 PolarHBondContact O-N 2.88Å; C38-G40 VanDerWaalsContact C-N 3.28Å; C38-G40 PolarHBondContact O-N 2.69Å; C38-W41 CarbonylContact O-C 3.57Å; C38-W41 PolarHBondContact O-N 2.96Å; C38-S42 PolarHBondContact O-N 3.11Å; C38-L43 HydrophobicContact CB-CB 4.14Å; C38-L43 PolarHBondContact O-N 3.08Å; C38-P46 HydrophobicContact CB-CB 4.04Å
39D95.6Very high95.3Very high99 Ų9956.1 Ų56.153%0.52932%0.321SS..Hα-helixtrans-60-40.5176.5-70-19.6000110.5K35 E36 W41 S42K35-D39 WeakPolarHBondContact O-CB 3.45Å; K35-D39 PolarHBondContact O-N 3.34Å; E36-D39 PolarHBondContact O-N 2.86Å; D39-W41 VanDerWaalsContact C-N 3.3Å; D39-W41 PolarHBondContact O-N 3.45Å; D39-S42 PolarHBondContact O-N 2.86Å; D39-S42 VanDerWaalsContact O-N 3.07Å
40G93.6Very high95.4Very high51 Ų5153.1 Ų53.153%0.52630%0.301SS..Hα-helixtrans-61.2-30.6176.200000114.9E36 V37 C38E36-G40 PolarHBondContact O-N 3.12Å; V37-G40 PolarHBondContact O-N 2.98Å; C38-G40 VanDerWaalsContact C-N 3.28Å; C38-G40 PolarHBondContact O-N 2.69Å
41W96.5Very high95.6Very high41 Ų4152.7 Ų52.716%0.15530%0.299CS..THydrogen-bonded Turntrans-103.29173.3-69.7-40.4000113.8I12 W14 A17 N18 Q20 V37 C38 D39 L43 L77I12-W41 HydrophobicContact CB-CH2 4.33Å; I12-W41 HydrophobicContact CG2-CH2 3.99Å; I12-W41 HydrophobicContact CG2-CZ3 4.29Å; I12-W41 WeakPolarHBondContact O-CH2 3.33Å; I12-W41 VanDerWaalsContact O-CZ2 3.27Å; I12-W41 WeakPolarHBondContact O-CZ2 3.32Å; W14-W41 HydrophobicContact CB-CD2 3.85Å; W14-W41 HydrophobicContact CB-CE3 3.57Å; W14-W41 HydrophobicContact CB-CH2 3.44Å; W14-W41 VanDerWaalsContact CB-CH2 3.44Å; W14-W41 HydrophobicContact CB-CZ2 3.71Å; W14-W41 HydrophobicContact CB-CZ3 3.38Å; W14-W41 HydrophobicContact CG-CD2 4.33Å; W14-W41 HydrophobicContact CG-CE3 4.05Å; W14-W41 HydrophobicContact CG-CZ3 4.24Å; A17-W41 HydrophobicContact CB-CG 4.38Å; N18-W41 PolarHBondContact O-NE1 2.78Å; N18-W41 VanDerWaalsContact O-NE1 3.07Å; Q20-W41 HydrophobicContact CB-CZ2 4.34Å; Q20-W41 HydrophobicContact CG-CD2 4.42Å; Q20-W41 HydrophobicContact CG-CH2 4.49Å; Q20-W41 HydrophobicContact CG-CZ2 3.76Å; Q20-W41 VanDerWaalsContact NE2-CE2 3.28Å; V37-W41 HydrophobicContact CG1-CE3 3.76Å; V37-W41 HydrophobicContact CG1-CH2 4.1Å; V37-W41 HydrophobicContact CG1-CZ3 3.38Å; V37-W41 PolarHBondContact O-N 2.65Å; C38-W41 CarbonylContact O-C 3.57Å; C38-W41 PolarHBondContact O-N 2.96Å; D39-W41 VanDerWaalsContact C-N 3.3Å; D39-W41 PolarHBondContact O-N 3.45Å; W41-L43 HydrophobicContact CB-CD1 4.2Å; W41-L43 HydrophobicContact CB-CG 4.02Å; W41-L43 HydrophobicContact CE3-CD1 4.25Å; W41-L43 PolarHBondContact O-N 3.42Å; W41-L77 HydrophobicContact CE3-CD2 3.93Å; W41-L77 HydrophobicContact CZ3-CB 3.81Å; W41-L77 HydrophobicContact CZ3-CD2 3.86Å; W41-L77 HydrophobicContact CZ3-CG 4.46Å
42S95.8Very high95.5Very high108 Ų10850 Ų5076%0.75527%0.274SS*.THydrogen-bonded Turntrans55.135.7-177.1-55.60000113.7C38 D39C38-S42 PolarHBondContact O-N 3.11Å; D39-S42 PolarHBondContact O-N 2.86Å; D39-S42 VanDerWaalsContact O-N 3.07Å
43L94.6Very high95.4Very high26 Ų2650 Ų5014%0.13627%0.266CS..  trans-86.8121.6176.7-65175.5000110.2W14 C38 W41 Y49 L77W14-L43 HydrophobicContact CD2-CD1 4.01Å; W14-L43 HydrophobicContact CE3-CD1 4.32Å; W14-L43 HydrophobicContact CH2-CD1 4.48Å; W14-L43 HydrophobicContact CZ2-CD1 4.17Å; W14-L43 HydrophobicContact CZ2-CD2 4.13Å; C38-L43 HydrophobicContact CB-CB 4.14Å; C38-L43 PolarHBondContact O-N 3.08Å; W41-L43 HydrophobicContact CB-CD1 4.2Å; W41-L43 HydrophobicContact CB-CG 4.02Å; W41-L43 HydrophobicContact CE3-CD1 4.25Å; W41-L43 PolarHBondContact O-N 3.42Å; L43-Y49 HydrophobicContact CB-CE2 4.37Å; L43-Y49 HydrophobicContact CD1-CE1 4.5Å; L43-L77 HydrophobicContact CD1-CD2 3.53Å
44P93.6Very high95.1Very high84 Ų8450.5 Ų50.555%0.54527%0.271SS..SBendtrans-76.7155.6179.232.7-35.7000111.5
45N95.3Very high94.4Very high72 Ų7254.5 Ų54.539%0.38529%0.292SS..  trans61.469175.9-41.9-70.1000112.6E47 Y48 Y49N45-E47 VanDerWaalsContact CA-OE2 3.3Å; N45-E47 WeakPolarHBondContact CA-OE2 3.45Å; N45-E47 WeakPolarHBondContact CB-OE1 3.45Å; N45-E47 PolarHBondContact O-N 2.85Å; N45-E47 VanDerWaalsContact O-N 3.11Å; N45-Y48 HydrophobicContact CB-CD2 3.32Å; N45-Y48 HydrophobicContact CB-CE2 3.48Å; N45-Y48 VanDerWaalsContact CB-CE2 3.48Å; N45-Y48 HydrophobicContact CB-CG 3.91Å; N45-Y48 WeakPolarHBondContact O-CB 2.78Å; N45-Y48 PolarHBondContact O-N 2.98Å; N45-Y49 WeakPolarHBondContact O-CD2 3.38Å
46P94.4Very high93.7Very high31 Ų3151.5 Ų51.520%0.20129%0.294CS..G310 helixtrans-58-26.2-177.826.4-36.6000113.5I34 K35 C38 Y48 Y49I34-P46 HydrophobicContact CG2-CB 4.46Å; I34-P46 WeakPolarHBondContact CG2-O 3.32Å; K35-P46 HydrophobicContact CB-CB 4.03Å; K35-P46 HydrophobicContact CB-CG 4.17Å; K35-P46 HydrophobicContact CG-CB 4.34Å; K35-P46 HydrophobicContact CG-CG 4.06Å; C38-P46 HydrophobicContact CB-CB 4.04Å; P46-Y48 PolarHBondContact O-N 2.91Å; P46-Y48 VanDerWaalsContact O-N 3.12Å; P46-Y49 PolarHBondContact O-N 2.97Å; P46-Y49 VanDerWaalsContact O-N 3.08Å
47E92.9Very high92.8Very high119 Ų11950.2 Ų50.256%0.55629%0.293SS*.G310 helixtrans-62.5-14.7174.871-80.7-171.100114N45 Y49N45-E47 VanDerWaalsContact CA-OE2 3.3Å; N45-E47 WeakPolarHBondContact CA-OE2 3.45Å; N45-E47 WeakPolarHBondContact CB-OE1 3.45Å; N45-E47 PolarHBondContact O-N 2.85Å; N45-E47 VanDerWaalsContact O-N 3.11Å; E47-Y49 VanDerWaalsContact C-N 3.29Å
48Y95Very high92.5Very high92 Ų9252.2 Ų52.236%0.36130%0.302SS..G310 helixtrans-81.5-9.8175.6-69.3-15.2000114.1N45 P46 S80 R83N45-Y48 HydrophobicContact CB-CD2 3.32Å; N45-Y48 HydrophobicContact CB-CE2 3.48Å; N45-Y48 VanDerWaalsContact CB-CE2 3.48Å; N45-Y48 HydrophobicContact CB-CG 3.91Å; N45-Y48 WeakPolarHBondContact O-CB 2.78Å; N45-Y48 PolarHBondContact O-N 2.98Å; P46-Y48 PolarHBondContact O-N 2.91Å; P46-Y48 VanDerWaalsContact O-N 3.12Å; Y48-S80 WeakPolarHBondContact O-CB 3.35Å; Y48-S80 PolarHBondContact O-N 3.16Å; Y48-S80 PolarHBondContact O-OG 2.98Å; Y48-R83 VanDerWaalsContact CB-NH1 3.27Å
49Y96.8Very high92.2Very high34 Ų3455.3 Ų55.313%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-115.7163.5-173.6-57.4-87.1000111.8W14 L43 N45 P46 E47 L77 A78W14-Y49 HydrophobicContact CH2-CD1 4.47Å; W14-Y49 AromaticContact CH2-CE1 3.7Å; W14-Y49 HydrophobicContact CH2-CE1 3.7Å; W14-Y49 HydrophobicContact CZ3-CD1 4.2Å; W14-Y49 AromaticContact CZ3-CE1 3.86Å; W14-Y49 HydrophobicContact CZ3-CE1 3.86Å; L43-Y49 HydrophobicContact CB-CE2 4.37Å; L43-Y49 HydrophobicContact CD1-CE1 4.5Å; N45-Y49 WeakPolarHBondContact O-CD2 3.38Å; P46-Y49 PolarHBondContact O-N 2.97Å; P46-Y49 VanDerWaalsContact O-N 3.08Å; E47-Y49 VanDerWaalsContact C-N 3.29Å; Y49-L77 HydrophobicContact CD1-CD2 4.12Å; Y49-L77 HydrophobicContact CD1-CG 4.09Å; Y49-L77 HydrophobicContact CG-CD1 4.44Å; Y49-L77 HydrophobicContact CG-CD2 4.24Å; Y49-L77 HydrophobicContact CG-CG 4.25Å; Y49-A78 CarbonylContact C-O 3.58Å; Y49-A78 WeakPolarHBondContact CA-O 3.37Å
50T97.3Very high92.2Very high17 Ų1751 Ų5110%0.10430%0.295CS..EExtended strand (participates in β ladder)trans-149.2173.2170.6-166.70000109.7Y60 A78T50-Y60 HydrophobicContact CG2-CD1 3.33Å; T50-Y60 HydrophobicContact CG2-CE1 3.41Å; T50-Y60 VanDerWaalsContact CG2-CE1 3.41Å; T50-A78 PolarHBondContact N-O 3.19Å; T50-A78 PolarHBondContact O-N 3.38Å
51L96.6Very high92.3Very high1 Ų148.8 Ų48.81%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-93.9143.2172.4-58.2179.6000110.7I12 I24 L30 I34 I61 L75 L77I12-L51 HydrophobicContact CD1-CD1 4.43Å; I12-L51 HydrophobicContact CD1-CD2 4.05Å; I12-L51 HydrophobicContact CG2-CD2 4.04Å; I24-L51 HydrophobicContact CD1-CD1 4.42Å; L30-L51 HydrophobicContact CD2-CD1 4.49Å; I34-L51 HydrophobicContact CG1-CD2 4.49Å; I34-L51 HydrophobicContact CG1-CG 4.08Å; L51-I61 HydrophobicContact CB-CB 4.18Å; L51-I61 HydrophobicContact CB-CD1 3.99Å; L51-I61 PolarHBondContact O-N 3.22Å; L51-L75 HydrophobicContact CD1-CD1 4.16Å; L51-L77 HydrophobicContact CD2-CD1 4.11Å
52R94.6Very high92.1Very high16 Ų1648.1 Ų48.16%0.0627%0.272CS..EExtended strand (participates in β ladder)trans-139.3148.7177.4-173.6-176.6-176.2-175.80.6108A54 Q58 L59 Y60 L75 Q76 A78R52-A54 PolarHBondContact O-N 2.94Å; R52-Q58 HydrophobicContact CG-CB 4.18Å; R52-Q58 WeakPolarHBondContact CG-O 3.18Å; R52-Q58 VanDerWaalsContact NE-CB 3.27Å; R52-Q58 PolarHBondContact NE-O 3.32Å; R52-Q58 PolarHBondContact NH2-O 2.94Å; R52-L59 WeakPolarHBondContact CA-O 3.42Å; R52-L59 WeakPolarHBondContact CG-O 3.47Å; R52-Y60 HydrophobicContact CB-CD1 4.4Å; R52-L75 CarbonylContact O-C 3.6Å; R52-L75 WeakPolarHBondContact O-CA 3.47Å; R52-Q76 HydrophobicContact CB-CG 3.94Å; R52-Q76 HydrophobicContact CG-CG 4.47Å; R52-Q76 PolarHBondContact N-O 3.37Å; R52-Q76 PolarHBondContact O-N 2.89Å; R52-A78 HydrophobicContact CB-CB 4.03Å
53Y92.9Very high91.9Very high47 Ų4747.5 Ų47.518%0.18426%0.257CS..EExtended strand (participates in β ladder)trans-60.3138.6169.7-69.8-81.5000110.2Q58 L59 I61 T73 L75 Q76Y53-Q58 WeakPolarHBondContact O-CA 3.34Å; Y53-Q58 WeakPolarHBondContact O-CB 3.2Å; Y53-Q58 WeakPolarHBondContact O-CG 3.42Å; Y53-L59 HydrophobicContact CD2-CB 4.24Å; Y53-L59 WeakPolarHBondContact CD2-O 3.33Å; Y53-L59 PolarHBondContact N-O 3.13Å; Y53-I61 HydrophobicContact CD2-CG1 4.31Å; Y53-I61 HydrophobicContact CE2-CD1 4.4Å; Y53-I61 HydrophobicContact CE2-CG1 4.03Å; Y53-T73 HydrophobicContact CD1-CG2 3.68Å; Y53-T73 HydrophobicContact CE1-CG2 3.68Å; Y53-L75 HydrophobicContact CD1-CD2 3.9Å; Y53-L75 HydrophobicContact CE1-CD2 4.23Å; Y53-L75 HydrophobicContact CG-CD2 4.41Å; Y53-Q76 PolarHBondContact O-NE2 3.03Å
54A89.2Confident91.5Very high13 Ų1353.3 Ų53.311%0.10728%0.283CS..SBendtrans-76.3-32.8175.100000111.5R52 Q58 I74R52-A54 PolarHBondContact O-N 2.94Å; A54-Q58 WeakPolarHBondContact O-CG 3.46Å; A54-Q58 PolarHBondContact O-NE2 3.07Å; A54-I74 HydrophobicContact CB-CB 4.09Å; A54-I74 HydrophobicContact CB-CG2 3.69Å; A54-I74 WeakPolarHBondContact CB-O 3.32Å; A54-I74 PolarHBondContact N-O 3.22Å
55D81.8Confident91.2Very high95 Ų9551.4 Ų51.451%0.50827%0.27SS..SBendtrans-104.7169-176.5-61.7-41.5000113.6Q58D55-Q58 PolarHBondContact O-N 3.23Å
56G82.2Confident90.9Very high52 Ų5248.6 Ų48.654%0.53625%0.254SS..THydrogen-bonded Turntrans62.6-136.8174.100000113.4Q58G56-Q58 PolarHBondContact O-N 3.17Å; G56-Q58 VanDerWaalsContact O-N 3.08Å
57P77.1Confident90.4Very high57 Ų5750.9 Ų50.937%0.3727%0.271SS..THydrogen-bonded Turntrans-67.4-8178.828.7-34.7000113.2L59P57-L59 HydrophobicContact CB-CD2 4.28Å; P57-L59 HydrophobicContact CB-CG 4.17Å; P57-L59 HydrophobicContact CG-CD1 4.24Å; P57-L59 HydrophobicContact CG-CG 3.96Å
58Q90.1Very high90Very high41 Ų4150 Ų5019%0.19227%0.27CS..  trans50.867.4-176.9-57.7-179.6-28.500109.5R52 Y53 A54 D55 G56R52-Q58 HydrophobicContact CG-CB 4.18Å; R52-Q58 WeakPolarHBondContact CG-O 3.18Å; R52-Q58 VanDerWaalsContact NE-CB 3.27Å; R52-Q58 PolarHBondContact NE-O 3.32Å; R52-Q58 PolarHBondContact NH2-O 2.94Å; Y53-Q58 WeakPolarHBondContact O-CA 3.34Å; Y53-Q58 WeakPolarHBondContact O-CB 3.2Å; Y53-Q58 WeakPolarHBondContact O-CG 3.42Å; A54-Q58 WeakPolarHBondContact O-CG 3.46Å; A54-Q58 PolarHBondContact O-NE2 3.07Å; D55-Q58 PolarHBondContact O-N 3.23Å; G56-Q58 PolarHBondContact O-N 3.17Å; G56-Q58 VanDerWaalsContact O-N 3.08Å
59L90.8Very high89.6Confident65 Ų6546 Ų4634%0.3426%0.255SS..PPolyproline II helixtrans-82.2149.9178.6-62.8174.4000111.1R52 Y53 P57 D113R52-L59 WeakPolarHBondContact CA-O 3.42Å; R52-L59 WeakPolarHBondContact CG-O 3.47Å; Y53-L59 HydrophobicContact CD2-CB 4.24Å; Y53-L59 WeakPolarHBondContact CD2-O 3.33Å; Y53-L59 PolarHBondContact N-O 3.13Å; P57-L59 HydrophobicContact CB-CD2 4.28Å; P57-L59 HydrophobicContact CB-CG 4.17Å; P57-L59 HydrophobicContact CG-CD1 4.24Å; P57-L59 HydrophobicContact CG-CG 3.96Å; L59-D113 VanDerWaalsContact CA-OD2 3.29Å; L59-D113 WeakPolarHBondContact CA-OD2 3.28Å; L59-D113 HydrophobicContact CD2-CB 3.94Å
60Y94.9Very high89Confident10 Ų1047.6 Ų47.64%0.03926%0.262CS..BIsolated β-bridgetrans-67.2139.2170.6-77.4-68.8000110.6T50 R52 A78 I79 P81 L110 D113 F116T50-Y60 HydrophobicContact CG2-CD1 3.33Å; T50-Y60 HydrophobicContact CG2-CE1 3.41Å; T50-Y60 VanDerWaalsContact CG2-CE1 3.41Å; R52-Y60 HydrophobicContact CB-CD1 4.4Å; Y60-A78 HydrophobicContact CE1-CB 4.47Å; Y60-I79 WeakPolarHBondContact CE1-O 3.33Å; Y60-I79 PolarHBondContact OH-O 2.79Å; Y60-P81 HydrophobicContact CD2-CB 4.28Å; Y60-P81 HydrophobicContact CE1-CB 4.49Å; Y60-P81 HydrophobicContact CE2-CB 4.13Å; Y60-L110 HydrophobicContact CE2-CD2 4.28Å; Y60-D113 HydrophobicContact CD2-CB 4.49Å; Y60-D113 WeakPolarHBondContact CD2-OD2 3.43Å; Y60-D113 PolarHBondContact N-OD2 3.26Å; Y60-F116 HydrophobicContact CD2-CB 4.13Å; Y60-F116 HydrophobicContact CE2-CB 3.89Å; Y60-F116 HydrophobicContact CE2-CD2 4.44Å
61I94.9Very high88.4Confident4 Ų451.2 Ų51.22%0.02128%0.281CS..PPolyproline II helixtrans-93125.4176.8-65172.7000108.5L30 L51 Y53 R66 I69 L75L30-I61 HydrophobicContact CD1-CG2 4.02Å; L30-I61 HydrophobicContact CD2-CG2 4.33Å; L51-I61 HydrophobicContact CB-CB 4.18Å; L51-I61 HydrophobicContact CB-CD1 3.99Å; L51-I61 PolarHBondContact O-N 3.22Å; Y53-I61 HydrophobicContact CD2-CG1 4.31Å; Y53-I61 HydrophobicContact CE2-CD1 4.4Å; Y53-I61 HydrophobicContact CE2-CG1 4.03Å; I61-R66 HydrophobicContact CG2-CB 3.84Å; I61-I69 HydrophobicContact CD1-CD1 3.82Å; I61-I69 HydrophobicContact CD1-CG1 4.09Å; I61-I69 HydrophobicContact CG2-CD1 3.89Å; I61-L75 HydrophobicContact CD1-CD1 3.79Å; I61-L75 HydrophobicContact CD1-CD2 3.4Å; I61-L75 VanDerWaalsContact CD1-CD2 3.4Å; I61-L75 HydrophobicContact CD1-CG 4.21Å
62T93.4Very high88Confident27 Ų2754.1 Ų54.117%0.16631%0.312CS..  trans-113.4171.9175.370.70000109.9L30 Q64 T65 R66 T115L30-T62 VanDerWaalsContact CD1-C 3.42Å; T62-Q64 PolarHBondContact O-N 2.84Å; T62-Q64 VanDerWaalsContact O-N 3.16Å; T62-Q64 PolarHBondContact OG1-N 3.47Å; T62-Q64 PolarHBondContact OG1-OE1 3.28Å; T62-Q64 VanDerWaalsContact OG1-OE1 3.1Å; T62-T65 PolarHBondContact N-OG1 3.16Å; T62-T65 PolarHBondContact O-N 3.09Å; T62-T65 PolarHBondContact OG1-N 3.03Å; T62-T65 VanDerWaalsContact OG1-N 3.13Å; T62-T65 PolarHBondContact OG1-OG1 3.1Å; T62-R66 WeakPolarHBondContact O-CB 3.15Å; T62-R66 PolarHBondContact O-N 2.86Å; T62-T115 HydrophobicContact CG2-CG2 3.61Å
63E90.9Very high87.7Confident94 Ų9454.7 Ų54.744%0.43932%0.317SS..THydrogen-bonded Turntrans-61.8-20.5173.2-66.8-68.4-178.700112.4L30 R66L30-E63 WeakPolarHBondContact CB-OE1 3.29Å; L30-E63 HydrophobicContact CD1-CG 4.28Å; L30-E63 PolarHBondContact N-OE1 2.92Å; E63-R66 WeakPolarHBondContact O-CG 3.18Å; E63-R66 IonicContact OE1-NH1 3.68Å; E63-R66 WeakPolarHBondContact OE2-CD 3.47Å; E63-R66 IonicContact OE2-CZ 2.68Å; E63-R66 IonicContact OE2-NE 2.77Å; E63-R66 IonicContact OE2-NH1 3.75Å; E63-R66 PolarHBondContact OE2-NH1 3.26Å
64Q85.8Confident87.8Confident148 Ų14855.4 Ų55.469%0.69232%0.323SS*.THydrogen-bonded Turntrans-84.4-41.7174.7-63.278.914.600112.5T62 S67T62-Q64 PolarHBondContact O-N 2.84Å; T62-Q64 VanDerWaalsContact O-N 3.16Å; T62-Q64 PolarHBondContact OG1-N 3.47Å; T62-Q64 PolarHBondContact OG1-OE1 3.28Å; T62-Q64 VanDerWaalsContact OG1-OE1 3.1Å; Q64-S67 PolarHBondContact O-OG 3.37Å
65T88.3Confident88.1Confident45 Ų4554.8 Ų54.828%0.27632%0.318SS..G310 helixtrans-89.8-8.6-174.860.50000113.6T62 S67 D68T62-T65 PolarHBondContact N-OG1 3.16Å; T62-T65 PolarHBondContact O-N 3.09Å; T62-T65 PolarHBondContact OG1-N 3.03Å; T62-T65 VanDerWaalsContact OG1-N 3.13Å; T62-T65 PolarHBondContact OG1-OG1 3.1Å; T65-S67 PolarHBondContact O-N 3.3Å; T65-D68 WeakPolarHBondContact O-CB 3.46Å; T65-D68 PolarHBondContact O-N 2.94Å
66R88.4Confident88.8Confident12 Ų1252.6 Ų52.65%0.04531%0.305CS..G310 helixtrans-62.8-19.5176.667.7-179.3-66.4175.31.5114.3D25 Q26 R28 L30 I61 T62 E63 D68 I69D25-R66 PolarHBondContact O-NH2 3.29Å; Q26-R66 PolarHBondContact NE2-O 3.47Å; Q26-R66 PolarHBondContact O-NH2 2.76Å; R28-R66 VanDerWaalsContact O-CZ 3.29Å; R28-R66 PolarHBondContact O-NH1 3.22Å; R28-R66 PolarHBondContact O-NH2 2.97Å; L30-R66 HydrophobicContact CD1-CB 4.4Å; L30-R66 HydrophobicContact CD2-CB 4.3Å; I61-R66 HydrophobicContact CG2-CB 3.84Å; T62-R66 WeakPolarHBondContact O-CB 3.15Å; T62-R66 PolarHBondContact O-N 2.86Å; E63-R66 WeakPolarHBondContact O-CG 3.18Å; E63-R66 IonicContact OE1-NH1 3.68Å; E63-R66 WeakPolarHBondContact OE2-CD 3.47Å; E63-R66 IonicContact OE2-CZ 2.68Å; E63-R66 IonicContact OE2-NE 2.77Å; E63-R66 IonicContact OE2-NH1 3.75Å; E63-R66 PolarHBondContact OE2-NH1 3.26Å; R66-D68 PolarHBondContact O-N 3.25Å; R66-I69 HydrophobicContact CB-CD1 3.98Å; R66-I69 WeakPolarHBondContact O-CD1 3.46Å; R66-I69 WeakPolarHBondContact O-CG1 3.36Å; R66-I69 PolarHBondContact O-N 2.91Å
67S84.9Confident89.5Confident80 Ų8050.4 Ų50.456%0.55928%0.281SS*.G310 helixtrans-62.5-27.2172.449.30000112.2Q64 T65 I69Q64-S67 PolarHBondContact O-OG 3.37Å; T65-S67 PolarHBondContact O-N 3.3Å; S67-I69 VanDerWaalsContact C-N 3.26Å; S67-I69 PolarHBondContact O-N 2.79Å
68D83.6Confident90.4Very high99 Ų9948.4 Ų48.453%0.52927%0.269SS..G310 helixtrans-83.4-7.2-173.4-50.2-18.8000111.8T65 R66 K70T65-D68 WeakPolarHBondContact O-CB 3.46Å; T65-D68 PolarHBondContact O-N 2.94Å; R66-D68 PolarHBondContact O-N 3.25Å; D68-K70 PolarHBondContact O-N 2.97Å
69I86.2Confident90.7Very high8 Ų849.4 Ų49.44%0.04128%0.275CS..PPolyproline II helixtrans-71126-179.8-54.2169.1000109.3V8 V10 I61 R66 S67 T73 L75V8-I69 HydrophobicContact CG1-CG2 3.93Å; V10-I69 HydrophobicContact CG1-CG2 3.67Å; I61-I69 HydrophobicContact CD1-CD1 3.82Å; I61-I69 HydrophobicContact CD1-CG1 4.09Å; I61-I69 HydrophobicContact CG2-CD1 3.89Å; R66-I69 HydrophobicContact CB-CD1 3.98Å; R66-I69 WeakPolarHBondContact O-CD1 3.46Å; R66-I69 WeakPolarHBondContact O-CG1 3.36Å; R66-I69 PolarHBondContact O-N 2.91Å; S67-I69 VanDerWaalsContact C-N 3.26Å; S67-I69 PolarHBondContact O-N 2.79Å; I69-T73 HydrophobicContact CG2-CG2 4.42Å; I69-L75 HydrophobicContact CD1-CD1 4.46Å
70K85.6Confident91Very high68 Ų6846.7 Ų46.730%0.29626%0.262SS..PPolyproline II helixtrans-101.1160179.8-59.6-163.7173.2-163.70112.1V8 D68 G72 T73 E599V8-K70 WeakPolarHBondContact CG1-O 3.42Å; D68-K70 PolarHBondContact O-N 2.97Å; K70-G72 PolarHBondContact O-N 3.43Å; K70-T73 PolarHBondContact N-OG1 3.27Å; K70-T73 VanDerWaalsContact O-CB 3.31Å; K70-T73 WeakPolarHBondContact O-CB 3.23Å; K70-T73 PolarHBondContact O-N 2.59Å; K70-T73 PolarHBondContact O-OG1 3.18Å; K70-E599 WeakPolarHBondContact CD-OE1 2.9Å; K70-E599 WeakPolarHBondContact CE-OE2 3.31Å; K70-E599 IonicContact NZ-OE1 2.55Å; K70-E599 IonicContact NZ-OE2 2.65Å; K70-E599 PolarHBondContact NZ-OE2 2.82Å
71N85.1Confident91Very high94 Ų9447.2 Ų47.250%0.50327%0.266SS..THydrogen-bonded Turntrans-62.2131.4172.5-81.2-72.1000110K9 T73K9-N71 WeakPolarHBondContact CB-OD1 3.47Å; K9-N71 WeakPolarHBondContact CG-OD1 3.45Å; K9-N71 PolarHBondContact N-OD1 3.38Å; K9-N71 WeakPolarHBondContact O-CA 3.45Å; N71-T73 VanDerWaalsContact C-N 3.34Å
72G86.6Confident91Very high62 Ų6248.7 Ų48.764%0.63928%0.277SS*.THydrogen-bonded Turntrans86.30.2-177.600000114.4K9 K70 I74K9-G72 PolarHBondContact O-N 3.43Å; K70-G72 PolarHBondContact O-N 3.43Å; G72-I74 PolarHBondContact O-N 3.43Å
73T89.8Confident91.2Very high28 Ų2851.1 Ų51.117%0.17228%0.283CS..  trans-61.4135.5172.9-61.80000110.6V10 A11 Y53 I69 K70 N71 L75V10-T73 WeakPolarHBondContact CA-O 3.37Å; V10-T73 WeakPolarHBondContact CB-O 3.39Å; A11-T73 PolarHBondContact N-O 2.9Å; Y53-T73 HydrophobicContact CD1-CG2 3.68Å; Y53-T73 HydrophobicContact CE1-CG2 3.68Å; I69-T73 HydrophobicContact CG2-CG2 4.42Å; K70-T73 PolarHBondContact N-OG1 3.27Å; K70-T73 VanDerWaalsContact O-CB 3.31Å; K70-T73 WeakPolarHBondContact O-CB 3.23Å; K70-T73 PolarHBondContact O-N 2.59Å; K70-T73 PolarHBondContact O-OG1 3.18Å; N71-T73 VanDerWaalsContact C-N 3.34Å; T73-L75 HydrophobicContact CG2-CD2 3.6Å; T73-L75 HydrophobicContact CG2-CG 4.24Å
74I93.6Very high91.4Very high61 Ų6147 Ų4731%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-92.9121.2170.8-51.8179.1000108.3A11 E13 A54 G72A11-I74 WeakPolarHBondContact O-CA 3.16Å; E13-I74 HydrophobicContact CG-CG2 3.81Å; A54-I74 HydrophobicContact CB-CB 4.09Å; A54-I74 HydrophobicContact CB-CG2 3.69Å; A54-I74 WeakPolarHBondContact CB-O 3.32Å; A54-I74 PolarHBondContact N-O 3.22Å; G72-I74 PolarHBondContact O-N 3.43Å
75L96.4Very high92Very high0 Ų040 Ų400%023%0.233CC..EExtended strand (participates in β ladder)trans-109.8158.9176.3-57.6-177.3000109.2V10 A11 I12 E13 I24 L51 R52 Y53 I61 I69 T73V10-L75 HydrophobicContact CB-CD1 4.31Å; V10-L75 HydrophobicContact CB-CG 4.5Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 HydrophobicContact CG2-CD1 4.26Å; A11-L75 PolarHBondContact O-N 3.12Å; I12-L75 CarbonylContact C-O 3.6Å; I12-L75 VanDerWaalsContact CA-O 3.32Å; I12-L75 WeakPolarHBondContact CA-O 3.27Å; I12-L75 HydrophobicContact CG1-CB 4.29Å; E13-L75 PolarHBondContact N-O 2.8Å; I24-L75 HydrophobicContact CD1-CD1 4.49Å; L51-L75 HydrophobicContact CD1-CD1 4.16Å; R52-L75 CarbonylContact O-C 3.6Å; R52-L75 WeakPolarHBondContact O-CA 3.47Å; Y53-L75 HydrophobicContact CD1-CD2 3.9Å; Y53-L75 HydrophobicContact CE1-CD2 4.23Å; Y53-L75 HydrophobicContact CG-CD2 4.41Å; I61-L75 HydrophobicContact CD1-CD1 3.79Å; I61-L75 HydrophobicContact CD1-CD2 3.4Å; I61-L75 VanDerWaalsContact CD1-CD2 3.4Å; I61-L75 HydrophobicContact CD1-CG 4.21Å; I69-L75 HydrophobicContact CD1-CD1 4.46Å; T73-L75 HydrophobicContact CG2-CD2 3.6Å; T73-L75 HydrophobicContact CG2-CG 4.24Å
76Q96.3Very high92.3Very high50 Ų5045.1 Ų45.123%0.23425%0.247CC..EExtended strand (participates in β ladder)trans-122.3139.8170.560.6-176.2-28.500109.5E13 R52 Y53 A78E13-Q76 WeakPolarHBondContact O-CA 3.39Å; R52-Q76 HydrophobicContact CB-CG 3.94Å; R52-Q76 HydrophobicContact CG-CG 4.47Å; R52-Q76 PolarHBondContact N-O 3.37Å; R52-Q76 PolarHBondContact O-N 2.89Å; Y53-Q76 PolarHBondContact O-NE2 3.03Å; Q76-A78 PolarHBondContact O-N 3.21Å
77L97.2Very high92.7Very high5 Ų546.5 Ų46.53%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-76.3115.4168-173.375.1000108.1I12 E13 W14 I34 V37 W41 L43 Y49 L51I12-L77 HydrophobicContact CG2-CB 4.3Å; E13-L77 PolarHBondContact O-N 2.75Å; W14-L77 HydrophobicContact CE3-CB 4.03Å; W14-L77 HydrophobicContact CE3-CD2 4.09Å; W14-L77 HydrophobicContact CE3-CG 4.31Å; W14-L77 VanDerWaalsContact CE3-O 3.28Å; W14-L77 HydrophobicContact CZ3-CD2 4.46Å; W14-L77 WeakPolarHBondContact CZ3-O 3.18Å; I34-L77 HydrophobicContact CG2-CD1 4.19Å; V37-L77 HydrophobicContact CG1-CD1 4.34Å; V37-L77 HydrophobicContact CG1-CD2 4.28Å; W41-L77 HydrophobicContact CE3-CD2 3.93Å; W41-L77 HydrophobicContact CZ3-CB 3.81Å; W41-L77 HydrophobicContact CZ3-CD2 3.86Å; W41-L77 HydrophobicContact CZ3-CG 4.46Å; L43-L77 HydrophobicContact CD1-CD2 3.53Å; Y49-L77 HydrophobicContact CD1-CD2 4.12Å; Y49-L77 HydrophobicContact CD1-CG 4.09Å; Y49-L77 HydrophobicContact CG-CD1 4.44Å; Y49-L77 HydrophobicContact CG-CD2 4.24Å; Y49-L77 HydrophobicContact CG-CG 4.25Å; L51-L77 HydrophobicContact CD2-CD1 4.11Å
78A95.8Very high93.2Very high15 Ų1543 Ų4312%0.12423%0.229CC..EExtended strand (participates in β ladder)trans-119.4165.7-17600000111.1Y49 T50 R52 Y60 Q76 S80Y49-A78 CarbonylContact C-O 3.58Å; Y49-A78 WeakPolarHBondContact CA-O 3.37Å; T50-A78 PolarHBondContact N-O 3.19Å; T50-A78 PolarHBondContact O-N 3.38Å; R52-A78 HydrophobicContact CB-CB 4.03Å; Y60-A78 HydrophobicContact CE1-CB 4.47Å; Q76-A78 PolarHBondContact O-N 3.21Å; A78-S80 PolarHBondContact O-N 2.83Å
79I96.2Very high93.7Very high62 Ų6239.5 Ų39.532%0.31821%0.209SC..EExtended strand (participates in β ladder)trans-63.4135.7170.7-59.3175.3000108.7Y60 R83 A84Y60-I79 WeakPolarHBondContact CE1-O 3.33Å; Y60-I79 PolarHBondContact OH-O 2.79Å; I79-R83 HydrophobicContact CG2-CB 3.77Å; I79-R83 HydrophobicContact CG2-CG 3.85Å; I79-A84 HydrophobicContact CG2-CB 4.24Å
80S96.4Very high94.1Very high9 Ų946.1 Ų46.16%0.06324%0.24CC..  trans-53.5144.3176.554.70000111.9Y48 A78 S82 R83 A84Y48-S80 WeakPolarHBondContact O-CB 3.35Å; Y48-S80 PolarHBondContact O-N 3.16Å; Y48-S80 PolarHBondContact O-OG 2.98Å; A78-S80 PolarHBondContact O-N 2.83Å; S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.03Å; S80-R83 PolarHBondContact O-N 2.92Å; S80-R83 VanDerWaalsContact O-N 3.09Å; S80-R83 VanDerWaalsContact OG-CB 3.28Å; S80-R83 WeakPolarHBondContact OG-CB 3.36Å; S80-A84 WeakPolarHBondContact O-CB 3.4Å; S80-A84 PolarHBondContact O-N 3.05Å
81P95.9Very high94.5Very high20 Ų2048.5 Ų48.513%0.1325%0.248CC..Hα-helixtrans-59.4-39.5-173.923-34.7000112.1Y60 R83 A84 A85 T115 E119Y60-P81 HydrophobicContact CD2-CB 4.28Å; Y60-P81 HydrophobicContact CE1-CB 4.49Å; Y60-P81 HydrophobicContact CE2-CB 4.13Å; P81-R83 PolarHBondContact O-N 2.71Å; P81-A84 PolarHBondContact O-N 3.38Å; P81-A85 WeakPolarHBondContact O-CB 3.19Å; P81-A85 PolarHBondContact O-N 3.18Å; P81-T115 HydrophobicContact CB-CG2 4.42Å; P81-T115 HydrophobicContact CG-CG2 4.07Å; P81-E119 HydrophobicContact CB-CG 4.26Å
82S95.3Very high94.8Very high36 Ų3644 Ų4425%0.25222%0.224SC..Hα-helixtrans-63.5-40.5177.463.70000112.5S80 R86 E119S80-S82 VanDerWaalsContact C-N 3.29Å; S80-S82 PolarHBondContact O-N 3.03Å; S82-R86 WeakPolarHBondContact O-CB 3.28Å; S82-R86 PolarHBondContact O-N 2.8Å; S82-R86 VanDerWaalsContact O-N 3.09Å; S82-E119 WeakPolarHBondContact CB-OE2 3.49Å
83R95.9Very high94.8Very high77 Ų7746.6 Ų46.629%0.29122%0.219SC..Hα-helixtrans-73.2-41.8176.5-173.5174.8-177.1-167.31.1111.7Y48 I79 S80 P81 A85 R86 Q87Y48-R83 VanDerWaalsContact CB-NH1 3.27Å; I79-R83 HydrophobicContact CG2-CB 3.77Å; I79-R83 HydrophobicContact CG2-CG 3.85Å; S80-R83 PolarHBondContact O-N 2.92Å; S80-R83 VanDerWaalsContact O-N 3.09Å; S80-R83 VanDerWaalsContact OG-CB 3.28Å; S80-R83 WeakPolarHBondContact OG-CB 3.36Å; P81-R83 PolarHBondContact O-N 2.71Å; R83-A85 VanDerWaalsContact C-N 3.35Å; R83-R86 PolarHBondContact O-N 3.29Å; R83-Q87 WeakPolarHBondContact O-CG 3.41Å; R83-Q87 PolarHBondContact O-N 2.97Å
84A96.6Very high94.8Very high9 Ų946.9 Ų46.97%0.07422%0.222CC..Hα-helixtrans-59.3-47.4175.500000110.6I79 S80 P81 R86 Q87 L88 F116I79-A84 HydrophobicContact CG2-CB 4.24Å; S80-A84 WeakPolarHBondContact O-CB 3.4Å; S80-A84 PolarHBondContact O-N 3.05Å; P81-A84 PolarHBondContact O-N 3.38Å; A84-R86 VanDerWaalsContact C-N 3.34Å; A84-R86 PolarHBondContact O-N 3.21Å; A84-Q87 PolarHBondContact O-N 3.3Å; A84-L88 WeakPolarHBondContact O-CB 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 3.31Å; A84-F116 HydrophobicContact CB-CD2 4.48Å; A84-F116 HydrophobicContact CB-CE2 4.27Å
85A97Very high94.4Very high0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-61.2-41.8177.300000111.5P81 R83 L88 M89 F116 E119 F120 M123P81-A85 WeakPolarHBondContact O-CB 3.19Å; P81-A85 PolarHBondContact O-N 3.18Å; R83-A85 VanDerWaalsContact C-N 3.35Å; A85-L88 PolarHBondContact O-N 2.88Å; A85-M89 WeakPolarHBondContact O-CB 3.45Å; A85-M89 VanDerWaalsContact O-CG 3.24Å; A85-M89 WeakPolarHBondContact O-CG 3.2Å; A85-M89 PolarHBondContact O-N 3.08Å; A85-F116 HydrophobicContact CB-CD2 4.26Å; A85-F116 HydrophobicContact CB-CE2 3.7Å; A85-F116 HydrophobicContact CB-CZ 4.14Å; A85-E119 HydrophobicContact CB-CB 4.19Å; A85-F120 HydrophobicContact CB-CB 4.12Å; A85-F120 HydrophobicContact CB-CD2 4.07Å; A85-M123 HydrophobicContact CB-CE 3.24Å
86R96.2Very high94Very high152 Ų15254 Ų5457%0.57427%0.271SS*.Hα-helixtrans-65.5-41.5177-151.9-177.4-58.5139.34112.6S82 R83 A84 M89 E90 M123S82-R86 WeakPolarHBondContact O-CB 3.28Å; S82-R86 PolarHBondContact O-N 2.8Å; S82-R86 VanDerWaalsContact O-N 3.09Å; R83-R86 PolarHBondContact O-N 3.29Å; A84-R86 VanDerWaalsContact C-N 3.34Å; A84-R86 PolarHBondContact O-N 3.21Å; R86-M89 PolarHBondContact O-N 3.48Å; R86-E90 PolarHBondContact O-N 2.72Å; R86-M123 HydrophobicContact CB-CE 4.47Å; R86-M123 HydrophobicContact CB-SD 4.18Å; R86-M123 HydrophobicContact CG-SD 4.16Å
87Q95.8Very high93.4Very high42 Ų4254.6 Ų54.620%0.19628%0.275CS..Hα-helixtrans-64.5-41.5175.1-74.4178.6-3.400111.9R83 A84 E90 R91R83-Q87 WeakPolarHBondContact O-CG 3.41Å; R83-Q87 PolarHBondContact O-N 2.97Å; A84-Q87 PolarHBondContact O-N 3.3Å; Q87-E90 PolarHBondContact O-N 2.84Å; Q87-R91 WeakPolarHBondContact O-CB 3.42Å; Q87-R91 VanDerWaalsContact O-CG 3.23Å; Q87-R91 WeakPolarHBondContact O-CG 3.28Å; Q87-R91 PolarHBondContact O-N 3.47Å
88L96.4Very high93Very high7 Ų761 Ų614%0.03731%0.305CS..Hα-helixtrans-68.6-39.1177.1-70.5176000111.5A84 A85 E90 R91 T92 A103 E106 L107 L110 F116A84-L88 WeakPolarHBondContact O-CB 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.24Å; A84-L88 PolarHBondContact O-N 3.31Å; A85-L88 PolarHBondContact O-N 2.88Å; L88-E90 VanDerWaalsContact C-N 3.27Å; L88-E90 PolarHBondContact O-N 3Å; L88-R91 PolarHBondContact O-N 2.96Å; L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 VanDerWaalsContact O-CG2 3.24Å; L88-T92 WeakPolarHBondContact O-CG2 3.42Å; L88-T92 PolarHBondContact O-N 3.16Å; L88-T92 PolarHBondContact O-OG1 3.27Å; L88-A103 HydrophobicContact CD2-CB 3.89Å; L88-A103 WeakPolarHBondContact CD2-O 3.36Å; L88-E106 HydrophobicContact CD1-CG 4.46Å; L88-E106 HydrophobicContact CD2-CB 4.27Å; L88-E106 HydrophobicContact CD2-CG 4.49Å; L88-L107 HydrophobicContact CD1-CB 4.25Å; L88-L107 HydrophobicContact CD1-CD1 4.14Å; L88-L110 HydrophobicContact CD1-CD1 3.94Å; L88-F116 HydrophobicContact CD1-CE2 3.9Å; L88-F116 HydrophobicContact CD1-CZ 3.68Å
89M94.4Very high92.7Very high24 Ų2462.7 Ų62.712%0.11831%0.313CS..Hα-helixtrans-56.4-40.3172.9-78.5-66.6-73.100112.7A85 R86 T92 Q93 F120 M123 V128A85-M89 WeakPolarHBondContact O-CB 3.45Å; A85-M89 VanDerWaalsContact O-CG 3.24Å; A85-M89 WeakPolarHBondContact O-CG 3.2Å; A85-M89 PolarHBondContact O-N 3.08Å; R86-M89 PolarHBondContact O-N 3.48Å; M89-T92 PolarHBondContact O-OG1 3.39Å; M89-Q93 PolarHBondContact O-NE2 2.84Å; M89-F120 HydrophobicContact CG-CD2 3.96Å; M89-F120 HydrophobicContact CG-CE2 3.54Å; M89-F120 HydrophobicContact CG-CZ 4.35Å; M89-F120 HydrophobicContact SD-CD2 4.1Å; M89-F120 HydrophobicContact SD-CE1 4.44Å; M89-F120 HydrophobicContact SD-CE2 3.38Å; M89-F120 WeakPolarHBondContact SD-CE2 3.46Å; M89-F120 HydrophobicContact SD-CZ 3.56Å; M89-F120 VanDerWaalsContact SD-CZ 3.56Å; M89-M123 HydrophobicContact CE-CB 4.47Å; M89-M123 WeakPolarHBondContact CE-O 3.28Å; M89-M123 HydrophobicContact CG-CB 4.47Å; M89-V128 HydrophobicContact CE-CG2 3.48Å; M89-V128 VanDerWaalsContact CE-CG2 3.48Å; M89-V128 HydrophobicContact SD-CB 4.47Å; M89-V128 HydrophobicContact SD-CG2 4.02Å
90E94.1Very high92.4Very high148 Ų14862 Ų6269%0.69231%0.307SS*.Hα-helixtrans-71.6-49.8175.6-174.9-179.2-17500111.7R86 Q87 L88 T92 Q93 S94R86-E90 PolarHBondContact O-N 2.72Å; Q87-E90 PolarHBondContact O-N 2.84Å; L88-E90 VanDerWaalsContact C-N 3.27Å; L88-E90 PolarHBondContact O-N 3Å; E90-T92 PolarHBondContact O-N 3.45Å; E90-Q93 PolarHBondContact O-N 3.46Å; E90-Q93 VanDerWaalsContact O-N 3.14Å; E90-S94 PolarHBondContact O-N 2.85Å
91R93.8Very high92.2Very high118 Ų11862.8 Ų62.845%0.44531%0.31SS..Hα-helixtrans-67.7-35-174.6-69.3173.9-172.4-178.24.3113.2Q87 L88 Q93 S94 T99 R100 A103Q87-R91 WeakPolarHBondContact O-CB 3.42Å; Q87-R91 VanDerWaalsContact O-CG 3.23Å; Q87-R91 WeakPolarHBondContact O-CG 3.28Å; Q87-R91 PolarHBondContact O-N 3.47Å; L88-R91 PolarHBondContact O-N 2.96Å; R91-Q93 PolarHBondContact O-N 3.32Å; R91-S94 WeakPolarHBondContact O-CB 3.19Å; R91-S94 PolarHBondContact O-N 3.42Å; R91-S94 VanDerWaalsContact O-N 3.11Å; R91-T99 HydrophobicContact CB-CG2 4.12Å; R91-T99 HydrophobicContact CG-CG2 4.14Å; R91-R100 VanDerWaalsContact O-CG 3.3Å; R91-R100 WeakPolarHBondContact O-CG 3.39Å; R91-A103 HydrophobicContact CB-CB 3.54Å
92T90.6Very high92Very high0 Ų066.7 Ų66.70%033%0.33CS..THydrogen-bonded Turntrans-65.6-19.8175.7520000113L88 M89 E90 R100 A103 M104 L107L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 VanDerWaalsContact O-CG2 3.24Å; L88-T92 WeakPolarHBondContact O-CG2 3.42Å; L88-T92 PolarHBondContact O-N 3.16Å; L88-T92 PolarHBondContact O-OG1 3.27Å; M89-T92 PolarHBondContact O-OG1 3.39Å; E90-T92 PolarHBondContact O-N 3.45Å; T92-R100 WeakPolarHBondContact O-CD 3.45Å; T92-R100 WeakPolarHBondContact O-CG 3.49Å; T92-R100 PolarHBondContact O-NE 2.92Å; T92-A103 HydrophobicContact CG2-CB 4.08Å; T92-M104 HydrophobicContact CG2-CE 3.74Å; T92-M104 HydrophobicContact CG2-SD 4.42Å; T92-L107 HydrophobicContact CG2-CD2 4.18Å
93Q87Confident92Very high115 Ų11565.1 Ų65.154%0.53732%0.319SS..THydrogen-bonded Turntrans-102.35.6175.9-64.6178.279.400113.1M89 E90 R91 V128M89-Q93 PolarHBondContact O-NE2 2.84Å; E90-Q93 PolarHBondContact O-N 3.46Å; E90-Q93 VanDerWaalsContact O-N 3.14Å; R91-Q93 PolarHBondContact O-N 3.32Å; Q93-V128 HydrophobicContact CG-CG1 4.15Å
94S89.9Confident91.9Very high34 Ų3461.5 Ų61.524%0.23831%0.306CS..  trans-60.1148.3178.5-178.50000112.1E90 R91 N96 R100E90-S94 PolarHBondContact O-N 2.85Å; R91-S94 WeakPolarHBondContact O-CB 3.19Å; R91-S94 PolarHBondContact O-N 3.42Å; R91-S94 VanDerWaalsContact O-N 3.11Å; S94-N96 PolarHBondContact O-N 3.27Å; S94-N96 PolarHBondContact OG-N 3.29Å; S94-N96 VanDerWaalsContact OG-N 3.14Å; S94-R100 WeakPolarHBondContact O-CD 3.18Å; S94-R100 WeakPolarHBondContact O-CG 3.36Å
95S85.1Confident91.8Very high133 Ų13366.8 Ų66.893%0.9333%0.327SS*.SBendtrans-70.7-21.4169.954.70000112.4
96N88.4Confident91.8Very high78 Ų7870.2 Ų70.242%0.41734%0.343SS..  trans-82.1120.7175.8-173.9-21.6000110.7S94 E98 R100S94-N96 PolarHBondContact O-N 3.27Å; S94-N96 PolarHBondContact OG-N 3.29Å; S94-N96 VanDerWaalsContact OG-N 3.14Å; N96-E98 PolarHBondContact OD1-N 3.09Å; N96-R100 WeakPolarHBondContact O-CG 3.25Å; N96-R100 PolarHBondContact O-N 2.86Å; N96-R100 VanDerWaalsContact O-N 3.11Å
97M83.8Confident91.8Very high63 Ų6363 Ų6331%0.3132%0.316SS..Hα-helixtrans-69.4-36.1-176.6-167.362.582.600113.7R100 L101 L140M97-R100 WeakPolarHBondContact O-CB 3.46Å; M97-R100 PolarHBondContact O-N 2.95Å; M97-L101 WeakPolarHBondContact O-CB 3.43Å; M97-L101 PolarHBondContact O-N 3.09Å; M97-L140 HydrophobicContact CE-CD1 3.56Å
98E87.9Confident91.7Very high139 Ų13961.4 Ų61.465%0.6531%0.31SS*.Hα-helixtrans-66.8-44.2179.5-170.4172.2-16500110.2N96 R100 L101 D102N96-E98 PolarHBondContact OD1-N 3.09Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 3.41Å; E98-L101 PolarHBondContact O-N 3.35Å; E98-L101 VanDerWaalsContact O-N 3.14Å; E98-D102 PolarHBondContact O-N 3.24Å
99T90.9Very high91.6Very high50 Ų5065.6 Ų65.631%0.30733%0.328SS..Hα-helixtrans-58.4-40172.5-53.50000112.3R91 A103R91-T99 HydrophobicContact CB-CG2 4.12Å; R91-T99 HydrophobicContact CG-CG2 4.14Å; T99-A103 WeakPolarHBondContact O-CB 3.19Å; T99-A103 PolarHBondContact O-N 3.22Å
100R89.9Confident91.6Very high47 Ų4764.7 Ų64.718%0.17732%0.323CS..Hα-helixtrans-66.5-42.4175.8-81.8-175.447.4-177.1-5112.4R91 T92 S94 N96 M97 E98 A103 M104 M146R91-R100 VanDerWaalsContact O-CG 3.3Å; R91-R100 WeakPolarHBondContact O-CG 3.39Å; T92-R100 WeakPolarHBondContact O-CD 3.45Å; T92-R100 WeakPolarHBondContact O-CG 3.49Å; T92-R100 PolarHBondContact O-NE 2.92Å; S94-R100 WeakPolarHBondContact O-CD 3.18Å; S94-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 WeakPolarHBondContact O-CG 3.25Å; N96-R100 PolarHBondContact O-N 2.86Å; N96-R100 VanDerWaalsContact O-N 3.11Å; M97-R100 WeakPolarHBondContact O-CB 3.46Å; M97-R100 PolarHBondContact O-N 2.95Å; E98-R100 VanDerWaalsContact C-N 3.28Å; E98-R100 PolarHBondContact O-N 3.41Å; R100-A103 PolarHBondContact O-N 3.18Å; R100-M104 WeakPolarHBondContact O-CB 3.23Å; R100-M104 PolarHBondContact O-N 3.42Å; R100-M146 VanDerWaalsContact NH2-CE 3.3Å
101L90.7Very high91.7Very high27 Ų2757.7 Ų57.714%0.14129%0.29CS..Hα-helixtrans-62.9-49.8-179.7178.962.2000110.8M97 E98 A103 M104 K105 E145 M146 F149M97-L101 WeakPolarHBondContact O-CB 3.43Å; M97-L101 PolarHBondContact O-N 3.09Å; E98-L101 PolarHBondContact O-N 3.35Å; E98-L101 VanDerWaalsContact O-N 3.14Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.44Å; L101-M104 PolarHBondContact O-N 3.2Å; L101-M104 VanDerWaalsContact O-N 3.17Å; L101-K105 PolarHBondContact O-N 3.41Å; L101-E145 HydrophobicContact CD1-CB 4.44Å; L101-E145 HydrophobicContact CD1-CG 4.15Å; L101-M146 HydrophobicContact CD1-CB 3.96Å; L101-F149 HydrophobicContact CD1-CD2 4.18Å; L101-F149 HydrophobicContact CD1-CE2 4.33Å
102D92.8Very high91.6Very high101 Ų10153.3 Ų53.354%0.5428%0.28SS..Hα-helixtrans-61.4-42.4177.5-72.3-23.2000111.9E98 M104 K105 E106E98-D102 PolarHBondContact O-N 3.24Å; D102-M104 VanDerWaalsContact C-N 3.34Å; D102-M104 PolarHBondContact O-N 2.84Å; D102-K105 PolarHBondContact O-N 3.02Å; D102-E106 PolarHBondContact O-N 2.83Å
103A94.8Very high91.7Very high4 Ų453.7 Ų53.73%0.03328%0.282CS..Hα-helixtrans-63.3-40.3175.600000112L88 R91 T92 T99 R100 L101 E106 L107L88-A103 HydrophobicContact CD2-CB 3.89Å; L88-A103 WeakPolarHBondContact CD2-O 3.36Å; R91-A103 HydrophobicContact CB-CB 3.54Å; T92-A103 HydrophobicContact CG2-CB 4.08Å; T99-A103 WeakPolarHBondContact O-CB 3.19Å; T99-A103 PolarHBondContact O-N 3.22Å; R100-A103 PolarHBondContact O-N 3.18Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.44Å; A103-E106 PolarHBondContact O-N 2.84Å; A103-L107 VanDerWaalsContact O-CB 3.25Å; A103-L107 WeakPolarHBondContact O-CB 3.39Å; A103-L107 PolarHBondContact O-N 2.85Å
104M94.6Very high91.9Very high0 Ų051.6 Ų51.60%028%0.277CS..Hα-helixtrans-69.7-36.9179.4-161.86068.600111.8T92 R100 L101 D102 L107 A108 L129 L132 M146 F149 T150T92-M104 HydrophobicContact CG2-CE 3.74Å; T92-M104 HydrophobicContact CG2-SD 4.42Å; R100-M104 WeakPolarHBondContact O-CB 3.23Å; R100-M104 PolarHBondContact O-N 3.42Å; L101-M104 PolarHBondContact O-N 3.2Å; L101-M104 VanDerWaalsContact O-N 3.17Å; D102-M104 VanDerWaalsContact C-N 3.34Å; D102-M104 PolarHBondContact O-N 2.84Å; M104-L107 PolarHBondContact O-N 2.82Å; M104-L107 HydrophobicContact SD-CD2 3.85Å; M104-A108 WeakPolarHBondContact O-CB 3.33Å; M104-A108 PolarHBondContact O-N 2.9Å; M104-L129 HydrophobicContact CE-CD2 4.05Å; M104-L129 HydrophobicContact SD-CD2 3.94Å; M104-L132 HydrophobicContact CE-CD1 3.6Å; M104-M146 HydrophobicContact CB-CG 4.43Å; M104-M146 HydrophobicContact CE-SD 4.3Å; M104-F149 HydrophobicContact CB-CB 4.15Å; M104-F149 HydrophobicContact CG-CB 3.57Å; M104-T150 HydrophobicContact CE-CG2 4.45Å; M104-T150 WeakPolarHBondContact CE-OG1 3.44Å; M104-T150 WeakPolarHBondContact CG-OG1 3.28Å; M104-T150 HydrophobicContact SD-CG2 4.42Å; M104-T150 PolarHBondContact SD-OG1 3.35Å
105K94.8Very high92.1Very high121 Ų12151.6 Ų51.653%0.52628%0.275SS..Hα-helixtrans-61.6-46.4173.7-178.7175.3179.51780111.7L101 D102 A108 K109 F149L101-K105 PolarHBondContact O-N 3.41Å; D102-K105 PolarHBondContact O-N 3.02Å; K105-A108 PolarHBondContact O-N 2.88Å; K105-K109 PolarHBondContact O-N 2.55Å; K105-F149 HydrophobicContact CB-CD1 4.45Å; K105-F149 HydrophobicContact CB-CD2 4.04Å; K105-F149 HydrophobicContact CB-CE1 4.32Å; K105-F149 HydrophobicContact CB-CE2 3.88Å; K105-F149 HydrophobicContact CB-CG 4.34Å; K105-F149 HydrophobicContact CB-CZ 4.04Å; K105-F149 HydrophobicContact CD-CE2 4.29Å; K105-F149 HydrophobicContact CD-CZ 4.01Å; K105-F149 HydrophobicContact CG-CD1 4.5Å; K105-F149 HydrophobicContact CG-CE1 3.96Å; K105-F149 HydrophobicContact CG-CE2 4.07Å; K105-F149 HydrophobicContact CG-CZ 3.73Å
106E95.4Very high92.7Very high72 Ų7245.2 Ų45.234%0.33623%0.231SC..Hα-helixtrans-67.2-38.8176-172.861.9-164.500111.3L88 D102 A103 A108 K109 L110L88-E106 HydrophobicContact CD1-CG 4.46Å; L88-E106 HydrophobicContact CD2-CB 4.27Å; L88-E106 HydrophobicContact CD2-CG 4.49Å; D102-E106 PolarHBondContact O-N 2.83Å; A103-E106 PolarHBondContact O-N 2.84Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 3.38Å; E106-K109 WeakPolarHBondContact O-CB 3.25Å; E106-K109 PolarHBondContact O-N 3.47Å; E106-L110 HydrophobicContact CG-CD1 4.01Å; E106-L110 HydrophobicContact CG-CG 4.28Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 3.14Å
107L97Very high93.1Very high0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-60.9-43.1176.1-177.463.2000111.8L88 T92 A103 M104 K109 L110 S111 F116 F120 L129 A153L88-L107 HydrophobicContact CD1-CB 4.25Å; L88-L107 HydrophobicContact CD1-CD1 4.14Å; T92-L107 HydrophobicContact CG2-CD2 4.18Å; A103-L107 VanDerWaalsContact O-CB 3.25Å; A103-L107 WeakPolarHBondContact O-CB 3.39Å; A103-L107 PolarHBondContact O-N 2.85Å; M104-L107 PolarHBondContact O-N 2.82Å; M104-L107 HydrophobicContact SD-CD2 3.85Å; L107-K109 PolarHBondContact O-N 3.17Å; L107-L110 PolarHBondContact O-N 3.29Å; L107-S111 VanDerWaalsContact O-CB 3.27Å; L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 3.12Å; L107-S111 PolarHBondContact O-OG 2.94Å; L107-F116 HydrophobicContact CD1-CE1 3.5Å; L107-F116 HydrophobicContact CD1-CZ 3.51Å; L107-F120 HydrophobicContact CD1-CD1 4.2Å; L107-F120 HydrophobicContact CD1-CD2 3.9Å; L107-F120 HydrophobicContact CD1-CE1 3.98Å; L107-F120 HydrophobicContact CD1-CE2 3.67Å; L107-F120 HydrophobicContact CD1-CG 4.17Å; L107-F120 HydrophobicContact CD1-CZ 3.73Å; L107-F120 HydrophobicContact CD2-CE1 4Å; L107-F120 HydrophobicContact CD2-CE2 4.15Å; L107-F120 HydrophobicContact CD2-CZ 3.55Å; L107-F120 HydrophobicContact CG-CZ 4.31Å; L107-L129 HydrophobicContact CD2-CD2 3.78Å; L107-A153 HydrophobicContact CD2-CB 4.26Å; L107-A153 HydrophobicContact CG-CB 3.96Å
108A94.6Very high93.6Very high8 Ų841 Ų417%0.06621%0.211CC..Hα-helixtrans-65.6-21175.500000113.4M104 K105 E106 F149 T152 A153M104-A108 WeakPolarHBondContact O-CB 3.33Å; M104-A108 PolarHBondContact O-N 2.9Å; K105-A108 PolarHBondContact O-N 2.88Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 3.38Å; A108-F149 HydrophobicContact CB-CB 4.04Å; A108-F149 HydrophobicContact CB-CD1 3.88Å; A108-F149 HydrophobicContact CB-CG 4.39Å; A108-T152 HydrophobicContact CB-CG2 4.19Å; A108-A153 HydrophobicContact CB-CB 4.31Å
109K93.3Very high94.1Very high96 Ų9637.6 Ų37.642%0.41720%0.196SC..Hα-helixtrans-83.2-44.8172.8179.4-174.9174.8-173.40111.4K105 E106 L107K105-K109 PolarHBondContact O-N 2.55Å; E106-K109 WeakPolarHBondContact O-CB 3.25Å; E106-K109 PolarHBondContact O-N 3.47Å; L107-K109 PolarHBondContact O-N 3.17Å
110L95.5Very high94.4Very high5 Ų535.2 Ų35.23%0.02618%0.181CC..Hα-helixtrans-76.7-22.8-175.4-63.6-178.3000112.9Y60 L88 E106 L107 A112 D113 F116Y60-L110 HydrophobicContact CE2-CD2 4.28Å; L88-L110 HydrophobicContact CD1-CD1 3.94Å; E106-L110 HydrophobicContact CG-CD1 4.01Å; E106-L110 HydrophobicContact CG-CG 4.28Å; E106-L110 WeakPolarHBondContact O-CG 3.46Å; E106-L110 PolarHBondContact O-N 3.14Å; L107-L110 PolarHBondContact O-N 3.29Å; L110-A112 PolarHBondContact O-N 3.36Å; L110-D113 WeakPolarHBondContact O-CB 3.41Å; L110-D113 PolarHBondContact O-N 2.99Å; L110-F116 VanDerWaalsContact C-CD1 3.48Å; L110-F116 HydrophobicContact CB-CB 4.38Å; L110-F116 HydrophobicContact CB-CD1 3.56Å; L110-F116 HydrophobicContact CB-CD2 3.93Å; L110-F116 HydrophobicContact CB-CE1 3.76Å; L110-F116 HydrophobicContact CB-CE2 4.08Å; L110-F116 HydrophobicContact CB-CG 3.67Å; L110-F116 HydrophobicContact CB-CZ 4.02Å; L110-F116 HydrophobicContact CD1-CD2 3.9Å; L110-F116 HydrophobicContact CD1-CE2 3.75Å; L110-F116 HydrophobicContact CD1-CG 4.48Å; L110-F116 HydrophobicContact CD1-CZ 4.27Å; L110-F116 VanDerWaalsContact O-CD1 3.25Å; L110-F116 WeakPolarHBondContact O-CD1 3.42Å
111S95.8Very high94.7Very high0 Ų033.8 Ų33.80%018%0.177CC..THydrogen-bonded Turntrans-63.1-23.7179.5-660000113.1L107 D113 E156 H160L107-S111 VanDerWaalsContact O-CB 3.27Å; L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 3.12Å; L107-S111 PolarHBondContact O-OG 2.94Å; S111-D113 PolarHBondContact O-N 3.2Å; S111-E156 VanDerWaalsContact C-OE2 3.31Å; S111-E156 VanDerWaalsContact CB-OE2 3.28Å; S111-E156 WeakPolarHBondContact CB-OE2 3.4Å; S111-H160 PolarHBondContact O-NE2 2.91Å
112A90.9Very high94.9Very high27 Ų2738 Ų3822%0.22320%0.199CC..THydrogen-bonded Turntrans-66.6-21.4172.600000113.7L110 E156 H160L110-A112 PolarHBondContact O-N 3.36Å; A112-E156 PolarHBondContact N-OE2 2.82Å; A112-H160 PolarHBondContact O-CE1 3.5Å; A112-H160 VanDerWaalsContact O-CE1 3.31Å
113D92.8Very high95Very high7 Ų735.7 Ų35.74%0.03719%0.186CC..SBendtrans-88.8122.3177.6-170.3-39.9000110.9L59 Y60 L110 S111 T115 F116 A117L59-D113 VanDerWaalsContact CA-OD2 3.29Å; L59-D113 WeakPolarHBondContact CA-OD2 3.28Å; L59-D113 HydrophobicContact CD2-CB 3.94Å; Y60-D113 HydrophobicContact CD2-CB 4.49Å; Y60-D113 WeakPolarHBondContact CD2-OD2 3.43Å; Y60-D113 PolarHBondContact N-OD2 3.26Å; L110-D113 WeakPolarHBondContact O-CB 3.41Å; L110-D113 PolarHBondContact O-N 2.99Å; S111-D113 PolarHBondContact O-N 3.2Å; D113-T115 PolarHBondContact O-N 2.8Å; D113-T115 WeakPolarHBondContact OD1-CA 3.39Å; D113-T115 WeakPolarHBondContact OD1-CB 3.37Å; D113-T115 PolarHBondContact OD1-N 3.18Å; D113-T115 PolarHBondContact OD1-OG1 3.22Å; D113-T115 VanDerWaalsContact OD1-OG1 3.08Å; D113-F116 HydrophobicContact CB-CB 4.3Å; D113-F116 PolarHBondContact O-N 3.04Å; D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.32Å; D113-A117 PolarHBondContact O-N 3.35Å
114V91.3Very high95Very high72 Ų7240.6 Ų40.644%0.43621%0.211SC..Hα-helixtrans-63.5-30.9-177.468.20000112.6T118 H160 I162V114-T118 WeakPolarHBondContact O-CB 3.36Å; V114-T118 PolarHBondContact O-N 3.02Å; V114-T118 PolarHBondContact O-OG1 2.62Å; V114-H160 WeakPolarHBondContact CA-CE1 3.18Å; V114-H160 WeakPolarHBondContact CB-ND1 3.4Å; V114-H160 PolarHBondContact N-CE1 2.95Å; V114-I162 HydrophobicContact CG2-CD1 4.28Å
115T93.9Very high95Very high33 Ų3340.6 Ų40.620%0.20221%0.211CC..Hα-helixtrans-67.3-47.5180-46.50000110.1T62 P81 D113T62-T115 HydrophobicContact CG2-CG2 3.61Å; P81-T115 HydrophobicContact CB-CG2 4.42Å; P81-T115 HydrophobicContact CG-CG2 4.07Å; D113-T115 PolarHBondContact O-N 2.8Å; D113-T115 WeakPolarHBondContact OD1-CA 3.39Å; D113-T115 WeakPolarHBondContact OD1-CB 3.37Å; D113-T115 PolarHBondContact OD1-N 3.18Å; D113-T115 PolarHBondContact OD1-OG1 3.22Å; D113-T115 VanDerWaalsContact OD1-OG1 3.08Å
116F97.4Very high95Very high0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-68.5-44.5175.1172.8-88.8000111.5Y60 A84 A85 L88 L107 L110 D113 T118 E119 F120Y60-F116 HydrophobicContact CD2-CB 4.13Å; Y60-F116 HydrophobicContact CE2-CB 3.89Å; Y60-F116 HydrophobicContact CE2-CD2 4.44Å; A84-F116 HydrophobicContact CB-CD2 4.48Å; A84-F116 HydrophobicContact CB-CE2 4.27Å; A85-F116 HydrophobicContact CB-CD2 4.26Å; A85-F116 HydrophobicContact CB-CE2 3.7Å; A85-F116 HydrophobicContact CB-CZ 4.14Å; L88-F116 HydrophobicContact CD1-CE2 3.9Å; L88-F116 HydrophobicContact CD1-CZ 3.68Å; L107-F116 HydrophobicContact CD1-CE1 3.5Å; L107-F116 HydrophobicContact CD1-CZ 3.51Å; L110-F116 VanDerWaalsContact C-CD1 3.48Å; L110-F116 HydrophobicContact CB-CB 4.38Å; L110-F116 HydrophobicContact CB-CD1 3.56Å; L110-F116 HydrophobicContact CB-CD2 3.93Å; L110-F116 HydrophobicContact CB-CE1 3.76Å; L110-F116 HydrophobicContact CB-CE2 4.08Å; L110-F116 HydrophobicContact CB-CG 3.67Å; L110-F116 HydrophobicContact CB-CZ 4.02Å; L110-F116 HydrophobicContact CD1-CD2 3.9Å; L110-F116 HydrophobicContact CD1-CE2 3.75Å; L110-F116 HydrophobicContact CD1-CG 4.48Å; L110-F116 HydrophobicContact CD1-CZ 4.27Å; L110-F116 VanDerWaalsContact O-CD1 3.25Å; L110-F116 WeakPolarHBondContact O-CD1 3.42Å; D113-F116 HydrophobicContact CB-CB 4.3Å; D113-F116 PolarHBondContact O-N 3.04Å; F116-T118 VanDerWaalsContact C-N 3.27Å; F116-T118 PolarHBondContact O-N 2.89Å; F116-E119 PolarHBondContact O-N 3.49Å; F116-E119 VanDerWaalsContact O-N 3.16Å; F116-F120 HydrophobicContact CD1-CB 4.49Å; F116-F120 HydrophobicContact CE1-CB 3.94Å; F116-F120 HydrophobicContact CE1-CD2 4.4Å; F116-F120 HydrophobicContact CE1-CG 4.19Å; F116-F120 HydrophobicContact CZ-CB 4.17Å; F116-F120 HydrophobicContact CZ-CD2 4.03Å; F116-F120 HydrophobicContact CZ-CG 4.26Å; F116-F120 PolarHBondContact O-N 3.14Å
117A96.4Very high94.8Very high0 Ų036.4 Ų36.40%020%0.196CC..Hα-helixtrans-55.6-43.8-179.700000111.5D113 E119 F120 I121 L157 H160D113-A117 VanDerWaalsContact O-CB 3.27Å; D113-A117 WeakPolarHBondContact O-CB 3.32Å; D113-A117 PolarHBondContact O-N 3.35Å; A117-E119 PolarHBondContact O-N 2.94Å; A117-F120 PolarHBondContact O-N 3.35Å; A117-I121 HydrophobicContact CB-CD1 4.48Å; A117-I121 VanDerWaalsContact O-CB 3.28Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.44Å; A117-I121 WeakPolarHBondContact O-CG1 3.33Å; A117-I121 PolarHBondContact O-N 3.37Å; A117-L157 HydrophobicContact CB-CD2 3.5Å; A117-L157 VanDerWaalsContact CB-CD2 3.5Å; A117-H160 VanDerWaalsContact CB-CD2 3.49Å; A117-H160 WeakPolarHBondContact CB-CD2 3.39Å; A117-H160 WeakPolarHBondContact CB-NE2 3.45Å
118T95.6Very high94.6Very high51 Ų5137.3 Ų37.331%0.31320%0.202SC..Hα-helixtrans-58.9-48177.8-57.70000111.8V114 F116 I121 N122V114-T118 WeakPolarHBondContact O-CB 3.36Å; V114-T118 PolarHBondContact O-N 3.02Å; V114-T118 PolarHBondContact O-OG1 2.62Å; F116-T118 VanDerWaalsContact C-N 3.27Å; F116-T118 PolarHBondContact O-N 2.89Å; T118-I121 PolarHBondContact O-N 3.04Å; T118-N122 WeakPolarHBondContact O-CB 3.43Å; T118-N122 PolarHBondContact O-N 3.28Å; T118-N122 PolarHBondContact O-ND2 2.76Å
119E97.1Very high94.6Very high69 Ų6937 Ų3732%0.32220%0.198SC..Hα-helixtrans-63.3-43.1178.1-70-64.3141.600112.3P81 S82 A85 F116 A117 N122 M123P81-E119 HydrophobicContact CB-CG 4.26Å; S82-E119 WeakPolarHBondContact CB-OE2 3.49Å; A85-E119 HydrophobicContact CB-CB 4.19Å; F116-E119 PolarHBondContact O-N 3.49Å; F116-E119 VanDerWaalsContact O-N 3.16Å; A117-E119 PolarHBondContact O-N 2.94Å; E119-N122 PolarHBondContact O-N 2.99Å; E119-M123 VanDerWaalsContact O-CE 3.27Å; E119-M123 WeakPolarHBondContact O-CE 3.43Å; E119-M123 PolarHBondContact O-N 3.24Å
120F97.6Very high94.5Very high0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-68.3-38.7179.8-167.9-101.4000112.3A85 M89 L107 F116 A117 M123 G125 L129 L157A85-F120 HydrophobicContact CB-CB 4.12Å; A85-F120 HydrophobicContact CB-CD2 4.07Å; M89-F120 HydrophobicContact CG-CD2 3.96Å; M89-F120 HydrophobicContact CG-CE2 3.54Å; M89-F120 HydrophobicContact CG-CZ 4.35Å; M89-F120 HydrophobicContact SD-CD2 4.1Å; M89-F120 HydrophobicContact SD-CE1 4.44Å; M89-F120 HydrophobicContact SD-CE2 3.38Å; M89-F120 WeakPolarHBondContact SD-CE2 3.46Å; M89-F120 HydrophobicContact SD-CZ 3.56Å; M89-F120 VanDerWaalsContact SD-CZ 3.56Å; L107-F120 HydrophobicContact CD1-CD1 4.2Å; L107-F120 HydrophobicContact CD1-CD2 3.9Å; L107-F120 HydrophobicContact CD1-CE1 3.98Å; L107-F120 HydrophobicContact CD1-CE2 3.67Å; L107-F120 HydrophobicContact CD1-CG 4.17Å; L107-F120 HydrophobicContact CD1-CZ 3.73Å; L107-F120 HydrophobicContact CD2-CE1 4Å; L107-F120 HydrophobicContact CD2-CE2 4.15Å; L107-F120 HydrophobicContact CD2-CZ 3.55Å; L107-F120 HydrophobicContact CG-CZ 4.31Å; F116-F120 HydrophobicContact CD1-CB 4.49Å; F116-F120 HydrophobicContact CE1-CB 3.94Å; F116-F120 HydrophobicContact CE1-CD2 4.4Å; F116-F120 HydrophobicContact CE1-CG 4.19Å; F116-F120 HydrophobicContact CZ-CB 4.17Å; F116-F120 HydrophobicContact CZ-CD2 4.03Å; F116-F120 HydrophobicContact CZ-CG 4.26Å; F116-F120 PolarHBondContact O-N 3.14Å; A117-F120 PolarHBondContact O-N 3.35Å; F120-M123 PolarHBondContact O-N 3.43Å; F120-G125 WeakPolarHBondContact O-CA 3.29Å; F120-G125 PolarHBondContact O-N 3Å; F120-L129 HydrophobicContact CE1-CD1 4.35Å; F120-L129 HydrophobicContact CE1-CG 4.44Å; F120-L157 HydrophobicContact CD1-CD1 3.66Å; F120-L157 HydrophobicContact CD1-CD2 4.36Å; F120-L157 HydrophobicContact CE1-CD1 3.91Å
121I95.9Very high94.3Very high17 Ų1740 Ų409%0.08721%0.209CC..Hα-helixtrans-64.6-43.2175.2-72.4165.8000110.9A117 T118 M123 D124 I126 L157 I162 V163A117-I121 HydrophobicContact CB-CD1 4.48Å; A117-I121 VanDerWaalsContact O-CB 3.28Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.44Å; A117-I121 WeakPolarHBondContact O-CG1 3.33Å; A117-I121 PolarHBondContact O-N 3.37Å; T118-I121 PolarHBondContact O-N 3.04Å; I121-M123 PolarHBondContact O-N 2.86Å; I121-M123 VanDerWaalsContact O-N 3.09Å; I121-D124 PolarHBondContact O-N 2.89Å; I121-I126 HydrophobicContact CD1-CD1 4.44Å; I121-I126 HydrophobicContact CG1-CD1 4.01Å; I121-I126 HydrophobicContact CG1-CG1 4.19Å; I121-L157 HydrophobicContact CD1-CD2 4.39Å; I121-L157 HydrophobicContact CG1-CD2 4.34Å; I121-I162 HydrophobicContact CD1-CB 4.07Å; I121-I162 HydrophobicContact CD1-CD1 3.88Å; I121-I162 HydrophobicContact CD1-CG2 4.24Å; I121-I162 HydrophobicContact CG2-CG2 4.32Å; I121-V163 HydrophobicContact CD1-CG2 4.22Å; I121-V163 HydrophobicContact CG1-CG2 4.47Å; I121-V163 HydrophobicContact CG2-CG2 3.47Å; I121-V163 VanDerWaalsContact CG2-CG2 3.47Å
122N95.8Very high94Very high115 Ų11541.1 Ų41.162%0.61522%0.215SC*.Hα-helixtrans-61.4-17.7177.1-74-22.1000113.5T118 E119T118-N122 WeakPolarHBondContact O-CB 3.43Å; T118-N122 PolarHBondContact O-N 3.28Å; T118-N122 PolarHBondContact O-ND2 2.76Å; E119-N122 PolarHBondContact O-N 2.99Å
123M95.2Very high94Very high52 Ų5239.9 Ų39.926%0.25621%0.205SC..THydrogen-bonded Turntrans-98.921.7174.5-69.1-173.7-81.200113.1A85 R86 M89 E119 F120 I121 G125A85-M123 HydrophobicContact CB-CE 3.24Å; R86-M123 HydrophobicContact CB-CE 4.47Å; R86-M123 HydrophobicContact CB-SD 4.18Å; R86-M123 HydrophobicContact CG-SD 4.16Å; M89-M123 HydrophobicContact CE-CB 4.47Å; M89-M123 WeakPolarHBondContact CE-O 3.28Å; M89-M123 HydrophobicContact CG-CB 4.47Å; E119-M123 VanDerWaalsContact O-CE 3.27Å; E119-M123 WeakPolarHBondContact O-CE 3.43Å; E119-M123 PolarHBondContact O-N 3.24Å; F120-M123 PolarHBondContact O-N 3.43Å; I121-M123 PolarHBondContact O-N 2.86Å; I121-M123 VanDerWaalsContact O-N 3.09Å; M123-G125 PolarHBondContact O-N 3.23Å
124D94.8Very high93.8Very high107 Ų10742.9 Ų42.957%0.57222%0.218SC*.THydrogen-bonded Turntrans57.828.5-176.9-64.7-41.8000113.5I121 I126 I127 V128I121-D124 PolarHBondContact O-N 2.89Å; D124-I126 PolarHBondContact O-N 3.17Å; D124-I126 VanDerWaalsContact O-N 3.17Å; D124-I127 HydrophobicContact CB-CD1 4.16Å; D124-I127 HydrophobicContact CB-CG1 4.48Å; D124-I127 WeakPolarHBondContact O-CB 3.44Å; D124-I127 PolarHBondContact O-N 3.4Å; D124-V128 PolarHBondContact O-N 3.23Å
125G94.6Very high93.3Very high0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-58.8-31.4-176.300000113.9F120 M123 I127 V128 L129F120-G125 WeakPolarHBondContact O-CA 3.29Å; F120-G125 PolarHBondContact O-N 3Å; M123-G125 PolarHBondContact O-N 3.23Å; G125-I127 VanDerWaalsContact C-N 3.32Å; G125-I127 PolarHBondContact O-N 3.16Å; G125-V128 WeakPolarHBondContact O-CB 3.49Å; G125-V128 PolarHBondContact O-N 3.19Å; G125-L129 WeakPolarHBondContact O-CG 3.47Å; G125-L129 PolarHBondContact O-N 3.12Å; G125-L129 VanDerWaalsContact O-N 3.12Å
126I94Very high92Very high21 Ų2142.6 Ų42.611%0.10822%0.224CC..Hα-helixtrans-60.3-41.9174.2-64.6177000111.1I121 D124 V128 L129 T130 F154 M158 V163I121-I126 HydrophobicContact CD1-CD1 4.44Å; I121-I126 HydrophobicContact CG1-CD1 4.01Å; I121-I126 HydrophobicContact CG1-CG1 4.19Å; D124-I126 PolarHBondContact O-N 3.17Å; D124-I126 VanDerWaalsContact O-N 3.17Å; I126-V128 VanDerWaalsContact C-N 3.27Å; I126-V128 PolarHBondContact O-N 3.21Å; I126-L129 PolarHBondContact O-N 3.41Å; I126-T130 HydrophobicContact CG2-CG2 4.25Å; I126-T130 WeakPolarHBondContact O-CG2 3.27Å; I126-T130 PolarHBondContact O-N 3.12Å; I126-T130 PolarHBondContact O-OG1 3.33Å; I126-F154 HydrophobicContact CG2-CD2 4.33Å; I126-F154 HydrophobicContact CG2-CE2 3.97Å; I126-M158 HydrophobicContact CD1-SD 3.84Å; I126-V163 HydrophobicContact CD1-CB 3.85Å; I126-V163 HydrophobicContact CD1-CG1 3.96Å; I126-V163 HydrophobicContact CD1-CG2 3.66Å
127I92.3Very high90Very high85 Ų8547.1 Ų47.144%0.43625%0.251SS..Hα-helixtrans-65.8-34.3-179.9-60179.9000110.7D124 G125 T130 R131D124-I127 HydrophobicContact CB-CD1 4.16Å; D124-I127 HydrophobicContact CB-CG1 4.48Å; D124-I127 WeakPolarHBondContact O-CB 3.44Å; D124-I127 PolarHBondContact O-N 3.4Å; G125-I127 VanDerWaalsContact C-N 3.32Å; G125-I127 PolarHBondContact O-N 3.16Å; I127-T130 WeakPolarHBondContact CA-OG1 3.25Å; I127-T130 PolarHBondContact O-OG1 3.3Å; I127-T130 VanDerWaalsContact O-OG1 3.09Å; I127-R131 VanDerWaalsContact O-CB 3.26Å; I127-R131 WeakPolarHBondContact O-CB 3.38Å; I127-R131 PolarHBondContact O-N 3.44Å
128V92.6Very high88.3Confident19 Ų1953.5 Ų53.512%0.11528%0.279CS..Hα-helixtrans-63.3-46.7173.9176.90000110.4M89 Q93 D124 G125 I126 R131 L132M89-V128 HydrophobicContact CE-CG2 3.48Å; M89-V128 VanDerWaalsContact CE-CG2 3.48Å; M89-V128 HydrophobicContact SD-CB 4.47Å; M89-V128 HydrophobicContact SD-CG2 4.02Å; Q93-V128 HydrophobicContact CG-CG1 4.15Å; D124-V128 PolarHBondContact O-N 3.23Å; G125-V128 WeakPolarHBondContact O-CB 3.49Å; G125-V128 PolarHBondContact O-N 3.19Å; I126-V128 VanDerWaalsContact C-N 3.27Å; I126-V128 PolarHBondContact O-N 3.21Å; V128-R131 PolarHBondContact O-N 3.14Å; V128-L132 HydrophobicContact CG1-CD1 4.16Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.44Å; V128-L132 PolarHBondContact O-N 2.85Å
129L93.9Very high85.9Confident0 Ų059 Ų590%031%0.306CS..Hα-helixtrans-65.2-44.6179-59.2-178.3000112.2M104 L107 F120 G125 I126 R131 L132 V133 T150 A153 F154 L157M104-L129 HydrophobicContact CE-CD2 4.05Å; M104-L129 HydrophobicContact SD-CD2 3.94Å; L107-L129 HydrophobicContact CD2-CD2 3.78Å; F120-L129 HydrophobicContact CE1-CD1 4.35Å; F120-L129 HydrophobicContact CE1-CG 4.44Å; G125-L129 WeakPolarHBondContact O-CG 3.47Å; G125-L129 PolarHBondContact O-N 3.12Å; G125-L129 VanDerWaalsContact O-N 3.12Å; I126-L129 PolarHBondContact O-N 3.41Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 3.39Å; L129-L132 PolarHBondContact O-N 2.75Å; L129-V133 WeakPolarHBondContact O-CG2 3.35Å; L129-V133 PolarHBondContact O-N 2.86Å; L129-V133 VanDerWaalsContact O-N 3.1Å; L129-T150 HydrophobicContact CB-CG2 4.23Å; L129-T150 HydrophobicContact CD2-CG2 3.99Å; L129-A153 HydrophobicContact CD1-CB 4.09Å; L129-F154 HydrophobicContact CD1-CB 4.04Å; L129-L157 HydrophobicContact CD1-CD1 3.69Å
130T92.3Very high83.8Confident17 Ų1759.8 Ų59.810%0.10431%0.312CS..Hα-helixtrans-63.3-42.5178.459.10000111.3I126 I127 L132 V133 E134 F154 F172I126-T130 HydrophobicContact CG2-CG2 4.25Å; I126-T130 WeakPolarHBondContact O-CG2 3.27Å; I126-T130 PolarHBondContact O-N 3.12Å; I126-T130 PolarHBondContact O-OG1 3.33Å; I127-T130 WeakPolarHBondContact CA-OG1 3.25Å; I127-T130 PolarHBondContact O-OG1 3.3Å; I127-T130 VanDerWaalsContact O-OG1 3.09Å; T130-L132 VanDerWaalsContact C-N 3.34Å; T130-L132 PolarHBondContact O-N 3.3Å; T130-V133 PolarHBondContact O-N 2.95Å; T130-E134 WeakPolarHBondContact O-CB 3.13Å; T130-E134 VanDerWaalsContact O-CG 3.27Å; T130-E134 WeakPolarHBondContact O-CG 3.38Å; T130-E134 PolarHBondContact O-N 3.15Å; T130-F154 HydrophobicContact CG2-CD2 4.33Å; T130-F154 HydrophobicContact CG2-CE2 3.85Å; T130-F172 HydrophobicContact CG2-CD2 3.77Å; T130-F172 HydrophobicContact CG2-CE2 3.95Å; T130-F172 HydrophobicContact CG2-CG 4.21Å
131R90.2Very high81.8Confident148 Ų14864.9 Ų64.956%0.55835%0.347SS*.Hα-helixtrans-60.9-42.9175.5-172.6-177.5-64.7167.71.8111.5I127 V128 L129 V133 E134 S135I127-R131 VanDerWaalsContact O-CB 3.26Å; I127-R131 WeakPolarHBondContact O-CB 3.38Å; I127-R131 PolarHBondContact O-N 3.44Å; V128-R131 PolarHBondContact O-N 3.14Å; L129-R131 VanDerWaalsContact C-N 3.35Å; L129-R131 PolarHBondContact O-N 3.39Å; R131-V133 VanDerWaalsContact C-N 3.28Å; R131-V133 PolarHBondContact O-N 2.81Å; R131-E134 PolarHBondContact O-N 3.4Å; R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.47Å; R131-S135 PolarHBondContact O-N 2.98Å; R131-S135 PolarHBondContact O-OG 2.77Å
132L89Confident80.2Confident24 Ų2468.9 Ų68.913%0.12637%0.366CS..Hα-helixtrans-60.3-38.2177.6-76.3172.1000112.5M104 V128 L129 T130 G136 T150M104-L132 HydrophobicContact CE-CD1 3.6Å; V128-L132 HydrophobicContact CG1-CD1 4.16Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.44Å; V128-L132 PolarHBondContact O-N 2.85Å; L129-L132 PolarHBondContact O-N 2.75Å; T130-L132 VanDerWaalsContact C-N 3.34Å; T130-L132 PolarHBondContact O-N 3.3Å; L132-G136 PolarHBondContact O-N 2.97Å; L132-T150 HydrophobicContact CB-CG2 4.45Å
133V90.7Very high79.3Confident1 Ų164.7 Ų64.71%0.00634%0.341CS..Hα-helixtrans-70.8-41.1175.91730000111.7L129 T130 R131 L147 T150 L151 F172 Q175 I176 Y179L129-V133 WeakPolarHBondContact O-CG2 3.35Å; L129-V133 PolarHBondContact O-N 2.86Å; L129-V133 VanDerWaalsContact O-N 3.1Å; T130-V133 PolarHBondContact O-N 2.95Å; R131-V133 VanDerWaalsContact C-N 3.28Å; R131-V133 PolarHBondContact O-N 2.81Å; V133-L147 HydrophobicContact CG2-CD1 3.85Å; V133-T150 HydrophobicContact CG2-CG2 3.86Å; V133-L151 HydrophobicContact CG2-CD2 3.89Å; V133-F172 HydrophobicContact CB-CD2 3.95Å; V133-F172 HydrophobicContact CB-CE2 3.69Å; V133-F172 HydrophobicContact CG1-CD2 3.88Å; V133-F172 HydrophobicContact CG1-CE2 3.7Å; V133-F172 HydrophobicContact CG2-CE2 3.83Å; V133-Q175 HydrophobicContact CG1-CB 4.47Å; V133-Q175 HydrophobicContact CG1-CG 3.86Å; V133-Q175 PolarHBondContact O-NE2 3.09Å; V133-I176 HydrophobicContact CG1-CD1 3.93Å; V133-Y179 HydrophobicContact CG1-CE2 4.21Å
134E89.2Confident78.6Confident70 Ų7064.6 Ų64.633%0.32735%0.346SS..Hα-helixtrans-70.8-37.6179.4-71173.3-177.100112.8T130 R131 S169 T171 F172T130-E134 WeakPolarHBondContact O-CB 3.13Å; T130-E134 VanDerWaalsContact O-CG 3.27Å; T130-E134 WeakPolarHBondContact O-CG 3.38Å; T130-E134 PolarHBondContact O-N 3.15Å; R131-E134 PolarHBondContact O-N 3.4Å; E134-S169 PolarHBondContact OE1-OG 3.04Å; E134-T171 HydrophobicContact CG-CG2 4.06Å; E134-F172 HydrophobicContact CG-CB 4.33Å; E134-F172 WeakPolarHBondContact OE1-CB 3.44Å; E134-F172 PolarHBondContact OE1-N 3.06Å
135S80.4Confident78.2Confident80 Ų8063.9 Ų63.956%0.55934%0.339SS*.Hα-helixtrans-98.60.2-172.675.60000114.8R131 T137R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.47Å; R131-S135 PolarHBondContact O-N 2.98Å; R131-S135 PolarHBondContact O-OG 2.77Å; S135-T137 PolarHBondContact O-N 3.27Å
136G66.4Low78Confident19 Ų1964.1 Ų64.120%0.19634%0.34CS..  trans-68.7126-170.600000114.3L132 K138 Y143L132-G136 PolarHBondContact O-N 2.97Å; G136-K138 PolarHBondContact O-N 2.83Å; G136-Y143 WeakPolarHBondContact CA-OH 3.46Å
137T56.5Low77.8Confident94 Ų9463.2 Ų63.258%0.57734%0.336SS*.  trans-80.2115.2177.337.40000111.2S135 L139S135-T137 PolarHBondContact O-N 3.27Å; T137-L139 PolarHBondContact O-N 3.45Å
138K60.5Low77.8Confident135 Ų13559.8 Ų59.859%0.58732%0.32SS*.THydrogen-bonded Turntrans-66.89.6-174.5-57.9-178.7-179.4-176.80116.1G136G136-K138 PolarHBondContact O-N 2.83Å
139L45.8Very low77.9Confident166 Ų16661.2 Ų61.287%0.86933%0.325SS*.THydrogen-bonded Turntrans-105.710.7-168-75.5167.1000114.4T137T137-L139 PolarHBondContact O-N 3.45Å
140L52.1Low77.9Confident86 Ų8661.2 Ų61.245%0.4533%0.325SS..  trans-113.6136.8-170.2-60.5166.7000112.3M97 H142 Y143M97-L140 HydrophobicContact CE-CD1 3.56Å; L140-H142 PolarHBondContact O-N 2.72Å; L140-H142 VanDerWaalsContact O-N 3.16Å; L140-Y143 VanDerWaalsContact O-CB 3.31Å; L140-Y143 WeakPolarHBondContact O-CB 3.44Å; L140-Y143 PolarHBondContact O-N 3.41Å; L140-Y143 VanDerWaalsContact O-N 3.12Å
141S55Low78.1Confident107 Ų10760.4 Ų60.475%0.74832%0.32SS*.THydrogen-bonded Turntrans-61.7-21.1-173.251.30000115.5
142H63.9Low78.3Confident101 Ų10154.4 Ų54.447%0.46830%0.3SS..THydrogen-bonded Turntrans-114.99.7179.2-60.2-76.6000113.3L140 S144 M146L140-H142 PolarHBondContact O-N 2.72Å; L140-H142 VanDerWaalsContact O-N 3.16Å; H142-S144 VanDerWaalsContact C-N 3.3Å; H142-S144 PolarHBondContact O-N 3.13Å; H142-M146 PolarHBondContact O-N 3.39Å
143Y75Confident78.6Confident27 Ų2753.3 Ų53.311%0.10629%0.294CS..Hα-helixtrans-64.9-34.9-176.1-177.9-100.2000112.4G136 L140 M146 L147G136-Y143 WeakPolarHBondContact CA-OH 3.46Å; L140-Y143 VanDerWaalsContact O-CB 3.31Å; L140-Y143 WeakPolarHBondContact O-CB 3.44Å; L140-Y143 PolarHBondContact O-N 3.41Å; L140-Y143 VanDerWaalsContact O-N 3.12Å; Y143-M146 HydrophobicContact CD2-CE 4.04Å; Y143-M146 HydrophobicContact CE2-CE 4.06Å; Y143-L147 HydrophobicContact CE1-CB 4.38Å; Y143-L147 HydrophobicContact CE1-CD2 3.71Å; Y143-L147 WeakPolarHBondContact O-CB 3.45Å; Y143-L147 PolarHBondContact O-N 2.89Å
144S80.6Confident78.9Confident50 Ų5053.2 Ų53.235%0.3529%0.293SS..Hα-helixtrans-65.5-45.6-177.851.30000112.8H142 L147 A148H142-S144 VanDerWaalsContact C-N 3.3Å; H142-S144 PolarHBondContact O-N 3.13Å; S144-L147 PolarHBondContact O-N 3.24Å; S144-A148 WeakPolarHBondContact O-CB 3.45Å; S144-A148 PolarHBondContact O-N 2.93Å
145E87.3Confident79.1Confident91 Ų9150.8 Ų50.843%0.42528%0.282SS..Hα-helixtrans-67.2-46179.4-172.8177.4-163.100111.3L101 L147 A148 F149L101-E145 HydrophobicContact CD1-CB 4.44Å; L101-E145 HydrophobicContact CD1-CG 4.15Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 3.06Å; E145-A148 PolarHBondContact O-N 2.82Å; E145-F149 HydrophobicContact CG-CD2 4.17Å; E145-F149 HydrophobicContact CG-CE2 3.65Å; E145-F149 HydrophobicContact CG-CZ 4.45Å; E145-F149 VanDerWaalsContact O-CD2 3.3Å; E145-F149 WeakPolarHBondContact O-CD2 3.24Å; E145-F149 PolarHBondContact O-N 2.77Å; E145-F149 VanDerWaalsContact O-N 3.08Å
146M89.4Confident79.7Confident5 Ų549.3 Ų49.33%0.02527%0.267CS..Hα-helixtrans-60.6-41.7176-169.9-82.1-58.800111.6R100 L101 M104 H142 Y143 F149 T150R100-M146 VanDerWaalsContact NH2-CE 3.3Å; L101-M146 HydrophobicContact CD1-CB 3.96Å; M104-M146 HydrophobicContact CB-CG 4.43Å; M104-M146 HydrophobicContact CE-SD 4.3Å; H142-M146 PolarHBondContact O-N 3.39Å; Y143-M146 HydrophobicContact CD2-CE 4.04Å; Y143-M146 HydrophobicContact CE2-CE 4.06Å; M146-F149 PolarHBondContact O-N 2.89Å; M146-T150 WeakPolarHBondContact O-CB 3.32Å; M146-T150 PolarHBondContact O-N 2.92Å; M146-T150 PolarHBondContact O-OG1 3.46Å; M146-T150 PolarHBondContact SD-OG1 2.86Å; M146-T150 VanDerWaalsContact SD-OG1 3.37Å
147L90.4Very high81.1Confident3 Ų348.5 Ų48.52%0.01626%0.258CS..Hα-helixtrans-65.1-41176-179.858.3000111.5V133 Y143 S144 E145 F149 T150 L151 Y179 I189V133-L147 HydrophobicContact CG2-CD1 3.85Å; Y143-L147 HydrophobicContact CE1-CB 4.38Å; Y143-L147 HydrophobicContact CE1-CD2 3.71Å; Y143-L147 WeakPolarHBondContact O-CB 3.45Å; Y143-L147 PolarHBondContact O-N 2.89Å; S144-L147 PolarHBondContact O-N 3.24Å; E145-L147 VanDerWaalsContact C-N 3.31Å; E145-L147 PolarHBondContact O-N 3.06Å; L147-F149 VanDerWaalsContact C-N 3.35Å; L147-F149 PolarHBondContact O-N 3.39Å; L147-T150 WeakPolarHBondContact O-CB 3.23Å; L147-T150 PolarHBondContact O-N 3.39Å; L147-T150 VanDerWaalsContact O-N 3.16Å; L147-L151 HydrophobicContact CD1-CD1 4.35Å; L147-L151 HydrophobicContact CD1-CD2 4.26Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CG-CD1 4.25Å; L147-L151 HydrophobicContact CG-CG 4.33Å; L147-L151 WeakPolarHBondContact O-CG 3.45Å; L147-L151 PolarHBondContact O-N 2.98Å; L147-Y179 HydrophobicContact CD1-CE2 4.47Å; L147-Y179 HydrophobicContact CD2-CE1 4.34Å; L147-Y179 HydrophobicContact CD2-CE2 3.89Å; L147-I189 HydrophobicContact CD2-CD1 4.01Å; L147-I189 HydrophobicContact CD2-CG1 4.49Å; L147-I189 HydrophobicContact CD2-CG2 4.21Å; L147-I189 HydrophobicContact CG-CD1 4.44Å
148A91.9Very high82.7Confident13 Ų1344.1 Ų44.111%0.10723%0.231CC..Hα-helixtrans-60.2-43176.600000112.2S144 E145 L151 T152 I189S144-A148 WeakPolarHBondContact O-CB 3.45Å; S144-A148 PolarHBondContact O-N 2.93Å; E145-A148 PolarHBondContact O-N 2.82Å; A148-L151 PolarHBondContact O-N 3.08Å; A148-T152 WeakPolarHBondContact O-CB 3.48Å; A148-T152 PolarHBondContact O-N 3.46Å; A148-T152 PolarHBondContact O-OG1 3.47Å; A148-I189 HydrophobicContact CB-CG1 4.45Å
149F94.7Very high84Confident48 Ų4839 Ų3921%0.21121%0.21CC..Hα-helixtrans-65.7-40.2173.1-68.9-53.4000112.2L101 M104 K105 A108 E145 M146 L147 L151 T152 A153L101-F149 HydrophobicContact CD1-CD2 4.18Å; L101-F149 HydrophobicContact CD1-CE2 4.33Å; M104-F149 HydrophobicContact CB-CB 4.15Å; M104-F149 HydrophobicContact CG-CB 3.57Å; K105-F149 HydrophobicContact CB-CD1 4.45Å; K105-F149 HydrophobicContact CB-CD2 4.04Å; K105-F149 HydrophobicContact CB-CE1 4.32Å; K105-F149 HydrophobicContact CB-CE2 3.88Å; K105-F149 HydrophobicContact CB-CG 4.34Å; K105-F149 HydrophobicContact CB-CZ 4.04Å; K105-F149 HydrophobicContact CD-CE2 4.29Å; K105-F149 HydrophobicContact CD-CZ 4.01Å; K105-F149 HydrophobicContact CG-CD1 4.5Å; K105-F149 HydrophobicContact CG-CE1 3.96Å; K105-F149 HydrophobicContact CG-CE2 4.07Å; K105-F149 HydrophobicContact CG-CZ 3.73Å; A108-F149 HydrophobicContact CB-CB 4.04Å; A108-F149 HydrophobicContact CB-CD1 3.88Å; A108-F149 HydrophobicContact CB-CG 4.39Å; E145-F149 HydrophobicContact CG-CD2 4.17Å; E145-F149 HydrophobicContact CG-CE2 3.65Å; E145-F149 HydrophobicContact CG-CZ 4.45Å; E145-F149 VanDerWaalsContact O-CD2 3.3Å; E145-F149 WeakPolarHBondContact O-CD2 3.24Å; E145-F149 PolarHBondContact O-N 2.77Å; E145-F149 VanDerWaalsContact O-N 3.08Å; M146-F149 PolarHBondContact O-N 2.89Å; L147-F149 VanDerWaalsContact C-N 3.35Å; L147-F149 PolarHBondContact O-N 3.39Å; F149-L151 PolarHBondContact O-N 2.81Å; F149-T152 PolarHBondContact O-N 3.49Å; F149-A153 WeakPolarHBondContact O-CB 3.47Å; F149-A153 PolarHBondContact O-N 2.67Å
150T95.1Very high86Confident1 Ų132.4 Ų32.41%0.00617%0.174CC..Hα-helixtrans-58.9-47.1176.3-55.30000111.4M104 L129 L132 V133 M146 L147 T152 F154M104-T150 HydrophobicContact CE-CG2 4.45Å; M104-T150 WeakPolarHBondContact CE-OG1 3.44Å; M104-T150 WeakPolarHBondContact CG-OG1 3.28Å; M104-T150 HydrophobicContact SD-CG2 4.42Å; M104-T150 PolarHBondContact SD-OG1 3.35Å; L129-T150 HydrophobicContact CB-CG2 4.23Å; L129-T150 HydrophobicContact CD2-CG2 3.99Å; L132-T150 HydrophobicContact CB-CG2 4.45Å; V133-T150 HydrophobicContact CG2-CG2 3.86Å; M146-T150 WeakPolarHBondContact O-CB 3.32Å; M146-T150 PolarHBondContact O-N 2.92Å; M146-T150 PolarHBondContact O-OG1 3.46Å; M146-T150 PolarHBondContact SD-OG1 2.86Å; M146-T150 VanDerWaalsContact SD-OG1 3.37Å; L147-T150 WeakPolarHBondContact O-CB 3.23Å; L147-T150 PolarHBondContact O-N 3.39Å; L147-T150 VanDerWaalsContact O-N 3.16Å; T150-T152 VanDerWaalsContact C-N 3.35Å; T150-F154 WeakPolarHBondContact O-CB 3.42Å; T150-F154 PolarHBondContact O-N 3.2Å
151L95Very high87.6Confident0 Ų031 Ų310%018%0.181CC..Hα-helixtrans-68.2-34.9178.5-64.5-179000112.2V133 L147 A148 F149 L155 I176 I189 R192 I196V133-L151 HydrophobicContact CG2-CD2 3.89Å; L147-L151 HydrophobicContact CD1-CD1 4.35Å; L147-L151 HydrophobicContact CD1-CD2 4.26Å; L147-L151 HydrophobicContact CD1-CG 4.01Å; L147-L151 HydrophobicContact CG-CD1 4.25Å; L147-L151 HydrophobicContact CG-CG 4.33Å; L147-L151 WeakPolarHBondContact O-CG 3.45Å; L147-L151 PolarHBondContact O-N 2.98Å; A148-L151 PolarHBondContact O-N 3.08Å; F149-L151 PolarHBondContact O-N 2.81Å; L151-L155 WeakPolarHBondContact O-CB 3.49Å; L151-L155 PolarHBondContact O-N 3.44Å; L151-I176 HydrophobicContact CD2-CD1 3.51Å; L151-I189 HydrophobicContact CD1-CG2 4.03Å; L151-R192 HydrophobicContact CB-CB 3.82Å; L151-R192 HydrophobicContact CB-CG 4.39Å; L151-R192 HydrophobicContact CD1-CB 4.17Å; L151-I196 HydrophobicContact CB-CD1 3.99Å; L151-I196 HydrophobicContact CD2-CD1 3.87Å; L151-I196 HydrophobicContact CG-CD1 4.4Å
152T94.6Very high89.2Confident22 Ų2229.5 Ų29.514%0.13516%0.164CC..Hα-helixtrans-64.7-52.4175-58.30000110.6A108 A148 F149 T150 F154 L155 E156 R192A108-T152 HydrophobicContact CB-CG2 4.19Å; A148-T152 WeakPolarHBondContact O-CB 3.48Å; A148-T152 PolarHBondContact O-N 3.46Å; A148-T152 PolarHBondContact O-OG1 3.47Å; F149-T152 PolarHBondContact O-N 3.49Å; T150-T152 VanDerWaalsContact C-N 3.35Å; T152-F154 VanDerWaalsContact C-N 3.33Å; T152-F154 PolarHBondContact O-N 2.79Å; T152-L155 PolarHBondContact O-N 3.29Å; T152-E156 HydrophobicContact CG2-CG 4.49Å; T152-E156 WeakPolarHBondContact O-CG 3.48Å; T152-E156 PolarHBondContact O-N 3.08Å; T152-R192 PolarHBondContact OG1-NE 2.48Å
153A95.9Very high90.3Very high0 Ų025.9 Ų25.90%015%0.149CC..Hα-helixtrans-56.3-47.4175.700000111.6L107 A108 L129 F149 L155 E156 L157L107-A153 HydrophobicContact CD2-CB 4.26Å; L107-A153 HydrophobicContact CG-CB 3.96Å; A108-A153 HydrophobicContact CB-CB 4.31Å; L129-A153 HydrophobicContact CD1-CB 4.09Å; F149-A153 WeakPolarHBondContact O-CB 3.47Å; F149-A153 PolarHBondContact O-N 2.67Å; A153-L155 PolarHBondContact O-N 2.6Å; A153-E156 PolarHBondContact O-N 2.71Å; A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.31Å
154F96.6Very high91Very high0 Ų027.5 Ų27.50%016%0.164CC..Hα-helixtrans-57.5-49.2178173.3-93.3000111.8I126 L129 T130 T150 T152 L157 M158 W165 V168 F172 I196 M200I126-F154 HydrophobicContact CG2-CD2 4.33Å; I126-F154 HydrophobicContact CG2-CE2 3.97Å; L129-F154 HydrophobicContact CD1-CB 4.04Å; T130-F154 HydrophobicContact CG2-CD2 4.33Å; T130-F154 HydrophobicContact CG2-CE2 3.85Å; T150-F154 WeakPolarHBondContact O-CB 3.42Å; T150-F154 PolarHBondContact O-N 3.2Å; T152-F154 VanDerWaalsContact C-N 3.33Å; T152-F154 PolarHBondContact O-N 2.79Å; F154-L157 PolarHBondContact O-N 3.2Å; F154-M158 HydrophobicContact CD1-CG 4.37Å; F154-M158 HydrophobicContact CD2-CG 4.4Å; F154-M158 HydrophobicContact CE1-CG 3.97Å; F154-M158 HydrophobicContact CE2-CG 4.01Å; F154-M158 HydrophobicContact CE2-SD 4.32Å; F154-M158 HydrophobicContact CZ-CG 3.78Å; F154-M158 HydrophobicContact CZ-SD 4.33Å; F154-M158 VanDerWaalsContact O-CG 3.23Å; F154-M158 WeakPolarHBondContact O-CG 3.28Å; F154-M158 PolarHBondContact O-N 3.27Å; F154-W165 HydrophobicContact CE1-CH2 4.28Å; F154-W165 AromaticContact CE1-CZ3 3.87Å; F154-W165 HydrophobicContact CE1-CZ3 3.87Å; F154-W165 HydrophobicContact CZ-CZ3 4.2Å; F154-V168 HydrophobicContact CE2-CG2 4.44Å; F154-V168 HydrophobicContact CZ-CG2 3.91Å; F154-F172 HydrophobicContact CD1-CE1 4.4Å; F154-F172 AromaticContact CD1-CZ 3.93Å; F154-F172 HydrophobicContact CD1-CZ 3.93Å; F154-F172 HydrophobicContact CD2-CZ 4.23Å; F154-F172 AromaticContact CE1-CE1 3.73Å; F154-F172 HydrophobicContact CE1-CE1 3.73Å; F154-F172 AromaticContact CE1-CZ 3.7Å; F154-F172 HydrophobicContact CE1-CZ 3.7Å; F154-F172 HydrophobicContact CE2-CE1 4.32Å; F154-F172 HydrophobicContact CE2-CZ 4.02Å; F154-F172 HydrophobicContact CG-CZ 4.18Å; F154-F172 AromaticContact CZ-CE1 3.69Å; F154-F172 HydrophobicContact CZ-CE1 3.69Å; F154-F172 AromaticContact CZ-CZ 3.75Å; F154-F172 HydrophobicContact CZ-CZ 3.75Å; F154-I196 HydrophobicContact CD1-CD1 3.89Å; F154-I196 HydrophobicContact CD1-CG1 4.2Å; F154-I196 HydrophobicContact CE1-CD1 4.39Å; F154-I196 HydrophobicContact CE1-CG1 4.41Å; F154-I196 HydrophobicContact CE1-CG2 4Å; F154-M200 HydrophobicContact CE1-CE 4.49Å
155L94.2Very high91.5Very high18 Ų1825.8 Ų25.89%0.09415%0.15CC..Hα-helixtrans-62.9-46.3-179.3-179.758.8000111.5L151 T152 A153 L157 M158 D159 W165 A195 I196L151-L155 WeakPolarHBondContact O-CB 3.49Å; L151-L155 PolarHBondContact O-N 3.44Å; T152-L155 PolarHBondContact O-N 3.29Å; A153-L155 PolarHBondContact O-N 2.6Å; L155-L157 PolarHBondContact O-N 3.38Å; L155-M158 PolarHBondContact O-N 3.35Å; L155-D159 WeakPolarHBondContact O-CB 3.23Å; L155-D159 VanDerWaalsContact O-CG 3.27Å; L155-D159 PolarHBondContact O-N 2.9Å; L155-W165 HydrophobicContact CD1-CH2 4.07Å; L155-W165 HydrophobicContact CD1-CZ2 4.46Å; L155-A195 HydrophobicContact CD2-CB 3.82Å; L155-I196 HydrophobicContact CB-CG1 4.04Å; L155-I196 HydrophobicContact CD1-CG1 4.07Å; L155-I196 HydrophobicContact CD2-CG1 4.41Å; L155-I196 HydrophobicContact CG-CG1 4.4Å
156E93.3Very high91.5Very high50 Ų5025.8 Ų25.823%0.23415%0.153CC..Hα-helixtrans-61.1-42.4178.7-72.2179.3174.300112.5S111 A112 T152 A153 M158 D159 H160S111-E156 VanDerWaalsContact C-OE2 3.31Å; S111-E156 VanDerWaalsContact CB-OE2 3.28Å; S111-E156 WeakPolarHBondContact CB-OE2 3.4Å; A112-E156 PolarHBondContact N-OE2 2.82Å; T152-E156 HydrophobicContact CG2-CG 4.49Å; T152-E156 WeakPolarHBondContact O-CG 3.48Å; T152-E156 PolarHBondContact O-N 3.08Å; A153-E156 PolarHBondContact O-N 2.71Å; E156-M158 VanDerWaalsContact C-N 3.34Å; E156-M158 PolarHBondContact O-N 2.8Å; E156-D159 PolarHBondContact O-N 3.48Å; E156-H160 PolarHBondContact O-CD2 3.38Å; E156-H160 PolarHBondContact O-NE2 3.34Å
157L94.4Very high91.5Very high1 Ų132.8 Ų32.81%0.00519%0.188CC..Hα-helixtrans-60.4-43.9175.4-70.5172.3000111.6A117 F120 I121 L129 A153 F154 L155A117-L157 HydrophobicContact CB-CD2 3.5Å; A117-L157 VanDerWaalsContact CB-CD2 3.5Å; F120-L157 HydrophobicContact CD1-CD1 3.66Å; F120-L157 HydrophobicContact CD1-CD2 4.36Å; F120-L157 HydrophobicContact CE1-CD1 3.91Å; I121-L157 HydrophobicContact CD1-CD2 4.39Å; I121-L157 HydrophobicContact CG1-CD2 4.34Å; L129-L157 HydrophobicContact CD1-CD1 3.69Å; A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 WeakPolarHBondContact O-CG 3.48Å; A153-L157 PolarHBondContact O-N 3.31Å; F154-L157 PolarHBondContact O-N 3.2Å; L155-L157 PolarHBondContact O-N 3.38Å
158M91.8Very high91.5Very high2 Ų233.1 Ų33.11%0.0119%0.19CC..Hα-helixtrans-70.5-32.4179.9-66.4-62.2-65.500112.7I126 F154 L155 E156 H160 G161 W165 V168I126-M158 HydrophobicContact CD1-SD 3.84Å; F154-M158 HydrophobicContact CD1-CG 4.37Å; F154-M158 HydrophobicContact CD2-CG 4.4Å; F154-M158 HydrophobicContact CE1-CG 3.97Å; F154-M158 HydrophobicContact CE2-CG 4.01Å; F154-M158 HydrophobicContact CE2-SD 4.32Å; F154-M158 HydrophobicContact CZ-CG 3.78Å; F154-M158 HydrophobicContact CZ-SD 4.33Å; F154-M158 VanDerWaalsContact O-CG 3.23Å; F154-M158 WeakPolarHBondContact O-CG 3.28Å; F154-M158 PolarHBondContact O-N 3.27Å; L155-M158 PolarHBondContact O-N 3.35Å; E156-M158 VanDerWaalsContact C-N 3.34Å; E156-M158 PolarHBondContact O-N 2.8Å; M158-H160 PolarHBondContact O-N 2.87Å; M158-G161 PolarHBondContact O-N 2.94Å; M158-W165 HydrophobicContact CB-CH2 3.57Å; M158-W165 HydrophobicContact CB-CZ2 3.33Å; M158-W165 HydrophobicContact CB-CZ3 4.24Å; M158-W165 HydrophobicContact CE-CB 4.23Å; M158-W165 HydrophobicContact CE-CD2 3.46Å; M158-W165 VanDerWaalsContact CE-CD2 3.46Å; M158-W165 HydrophobicContact CE-CE3 3.65Å; M158-W165 HydrophobicContact CE-CG 3.71Å; M158-W165 HydrophobicContact CE-CZ2 4.37Å; M158-W165 HydrophobicContact CE-CZ3 4.2Å; M158-W165 HydrophobicContact CG-CH2 3.95Å; M158-W165 HydrophobicContact CG-CZ2 4.13Å; M158-W165 HydrophobicContact CG-CZ3 4.17Å; M158-V168 HydrophobicContact CE-CG2 4.2Å
159D87.1Confident91.5Very high27 Ų2734.6 Ų34.614%0.14420%0.199CC..Hα-helixtrans-69.2-16.7-178.6-78.2-12.7000113.6L155 E156 G161 R562L155-D159 WeakPolarHBondContact O-CB 3.23Å; L155-D159 VanDerWaalsContact O-CG 3.27Å; L155-D159 PolarHBondContact O-N 2.9Å; E156-D159 PolarHBondContact O-N 3.48Å; D159-G161 PolarHBondContact O-N 3.31Å; D159-R562 VanDerWaalsContact OD2-CB 3.25Å; D159-R562 WeakPolarHBondContact OD2-CB 3.27Å
160H87.3Confident91.3Very high28 Ų2835.6 Ų35.613%0.1321%0.206CC..THydrogen-bonded Turntrans-69.4-15.6169.7-64.7-79000113.2S111 A112 V114 A117 E156 M158 I162 R563S111-H160 PolarHBondContact O-NE2 2.91Å; A112-H160 PolarHBondContact O-CE1 3.5Å; A112-H160 VanDerWaalsContact O-CE1 3.31Å; V114-H160 WeakPolarHBondContact CA-CE1 3.18Å; V114-H160 WeakPolarHBondContact CB-ND1 3.4Å; V114-H160 PolarHBondContact N-CE1 2.95Å; A117-H160 VanDerWaalsContact CB-CD2 3.49Å; A117-H160 WeakPolarHBondContact CB-CD2 3.39Å; A117-H160 WeakPolarHBondContact CB-NE2 3.45Å; E156-H160 PolarHBondContact O-CD2 3.38Å; E156-H160 PolarHBondContact O-NE2 3.34Å; M158-H160 PolarHBondContact O-N 2.87Å; H160-I162 HydrophobicContact CB-CD1 3.83Å; H160-I162 HydrophobicContact CB-CG1 3.92Å; H160-I162 PolarHBondContact O-N 2.95Å; H160-R563 PolarHBondContact CE1-NH2 2.84Å; H160-R563 PolarHBondContact ND1-NH2 3.41Å
161G85.8Confident91.2Very high58 Ų5839.4 Ų39.460%0.59823%0.229SC*.  trans69.116.1178.900000114.8M158 D159 V163M158-G161 PolarHBondContact O-N 2.94Å; D159-G161 PolarHBondContact O-N 3.31Å; G161-V163 VanDerWaalsContact C-N 3.33Å
162I88.6Confident91.2Very high75 Ų7539.4 Ų39.439%0.38523%0.229SC..SBendtrans-70.3-33.7177-60.3165.5000110.7V114 I121 H160V114-I162 HydrophobicContact CG2-CD1 4.28Å; I121-I162 HydrophobicContact CD1-CB 4.07Å; I121-I162 HydrophobicContact CD1-CD1 3.88Å; I121-I162 HydrophobicContact CD1-CG2 4.24Å; I121-I162 HydrophobicContact CG2-CG2 4.32Å; H160-I162 HydrophobicContact CB-CD1 3.83Å; H160-I162 HydrophobicContact CB-CG1 3.92Å; H160-I162 PolarHBondContact O-N 2.95Å
163V87.9Confident91.1Very high25 Ų2538.3 Ų38.315%0.15222%0.223CC..SBendtrans-120.1140.5-174.9-176.30000110.1I121 I126 G161 M167I121-V163 HydrophobicContact CD1-CG2 4.22Å; I121-V163 HydrophobicContact CG1-CG2 4.47Å; I121-V163 HydrophobicContact CG2-CG2 3.47Å; I121-V163 VanDerWaalsContact CG2-CG2 3.47Å; I126-V163 HydrophobicContact CD1-CB 3.85Å; I126-V163 HydrophobicContact CD1-CG1 3.96Å; I126-V163 HydrophobicContact CD1-CG2 3.66Å; G161-V163 VanDerWaalsContact C-N 3.33Å; V163-M167 HydrophobicContact CG1-CB 4.4Å; V163-M167 HydrophobicContact CG1-CG 4.31Å; V163-M167 HydrophobicContact CG1-SD 3.44Å; V163-M167 WeakPolarHBondContact CG1-SD 3.33Å
164S88.5Confident91Very high61 Ų6143.5 Ų43.543%0.42725%0.245SC..  trans-71.6137.2176.1177.90000111.5D166 M167S164-D166 PolarHBondContact O-N 3.25Å; S164-D166 PolarHBondContact OG-N 3.44Å; S164-D166 VanDerWaalsContact OG-N 3.16Å; S164-M167 WeakPolarHBondContact O-CB 3.17Å; S164-M167 PolarHBondContact O-N 3.07Å; S164-M167 VanDerWaalsContact O-N 3.12Å
165W90.9Very high90.8Very high14 Ų1445.4 Ų45.45%0.05325%0.254CS..G310 helixtrans-59.7-23.1171.4-73.391.3000113.2F154 L155 M158 M167 V168 I196 S199 M200 N203 L207F154-W165 HydrophobicContact CE1-CH2 4.28Å; F154-W165 AromaticContact CE1-CZ3 3.87Å; F154-W165 HydrophobicContact CE1-CZ3 3.87Å; F154-W165 HydrophobicContact CZ-CZ3 4.2Å; L155-W165 HydrophobicContact CD1-CH2 4.07Å; L155-W165 HydrophobicContact CD1-CZ2 4.46Å; M158-W165 HydrophobicContact CB-CH2 3.57Å; M158-W165 HydrophobicContact CB-CZ2 3.33Å; M158-W165 HydrophobicContact CB-CZ3 4.24Å; M158-W165 HydrophobicContact CE-CB 4.23Å; M158-W165 HydrophobicContact CE-CD2 3.46Å; M158-W165 VanDerWaalsContact CE-CD2 3.46Å; M158-W165 HydrophobicContact CE-CE3 3.65Å; M158-W165 HydrophobicContact CE-CG 3.71Å; M158-W165 HydrophobicContact CE-CZ2 4.37Å; M158-W165 HydrophobicContact CE-CZ3 4.2Å; M158-W165 HydrophobicContact CG-CH2 3.95Å; M158-W165 HydrophobicContact CG-CZ2 4.13Å; M158-W165 HydrophobicContact CG-CZ3 4.17Å; W165-M167 PolarHBondContact O-N 2.88Å; W165-V168 HydrophobicContact CE3-CG2 4.38Å; W165-V168 WeakPolarHBondContact O-CB 3.26Å; W165-V168 WeakPolarHBondContact O-CG2 3.49Å; W165-V168 PolarHBondContact O-N 3.44Å; W165-V168 VanDerWaalsContact O-N 3.13Å; W165-I196 HydrophobicContact CZ3-CG2 4.24Å; W165-S199 VanDerWaalsContact CZ2-CB 3.4Å; W165-S199 WeakPolarHBondContact CZ2-OG 3.38Å; W165-M200 HydrophobicContact CD2-CG 4.27Å; W165-M200 HydrophobicContact CE3-CB 4.39Å; W165-M200 HydrophobicContact CE3-CE 4.01Å; W165-M200 HydrophobicContact CE3-CG 3.35Å; W165-M200 HydrophobicContact CZ3-CE 3.83Å; W165-M200 HydrophobicContact CZ3-CG 3.56Å; W165-N203 HydrophobicContact CB-CB 4.47Å; W165-N203 VanDerWaalsContact CD1-CB 3.41Å; W165-N203 HydrophobicContact CG-CB 4Å; W165-L207 HydrophobicContact CB-CD1 3.68Å
166D88.2Confident90.8Very high90 Ų9044.5 Ų44.548%0.48125%0.25SC..G310 helixtrans-69.3-12.6177.5-64.2-48.8000113.3S164 V168 S204 S206S164-D166 PolarHBondContact O-N 3.25Å; S164-D166 PolarHBondContact OG-N 3.44Å; S164-D166 VanDerWaalsContact OG-N 3.16Å; D166-V168 PolarHBondContact O-N 2.65Å; D166-S204 WeakPolarHBondContact OD1-CB 3.17Å; D166-S204 PolarHBondContact OD1-OG 3.33Å; D166-S206 PolarHBondContact OD1-OG 2.98Å
167M88.4Confident90.8Very high153 Ų15342.1 Ų42.175%0.75424%0.238SC*.G310 helixtrans-75.4-12.6173.3-60.9-174.6109.200112.6V163 S164 W165V163-M167 HydrophobicContact CG1-CB 4.4Å; V163-M167 HydrophobicContact CG1-CG 4.31Å; V163-M167 HydrophobicContact CG1-SD 3.44Å; V163-M167 WeakPolarHBondContact CG1-SD 3.33Å; S164-M167 WeakPolarHBondContact O-CB 3.17Å; S164-M167 PolarHBondContact O-N 3.07Å; S164-M167 VanDerWaalsContact O-N 3.12Å; W165-M167 PolarHBondContact O-N 2.88Å
168V91.1Very high90.6Very high10 Ų1043 Ų436%0.06125%0.248CC..SBendtrans-74.8130.4179.9-176.30000110.5F154 M158 W165 D166 F172 I173 M200F154-V168 HydrophobicContact CE2-CG2 4.44Å; F154-V168 HydrophobicContact CZ-CG2 3.91Å; M158-V168 HydrophobicContact CE-CG2 4.2Å; W165-V168 HydrophobicContact CE3-CG2 4.38Å; W165-V168 WeakPolarHBondContact O-CB 3.26Å; W165-V168 WeakPolarHBondContact O-CG2 3.49Å; W165-V168 PolarHBondContact O-N 3.44Å; W165-V168 VanDerWaalsContact O-N 3.13Å; D166-V168 PolarHBondContact O-N 2.65Å; V168-F172 HydrophobicContact CG1-CB 3.94Å; V168-F172 HydrophobicContact CG1-CD1 3.25Å; V168-F172 HydrophobicContact CG1-CE1 3.95Å; V168-F172 HydrophobicContact CG1-CG 3.84Å; V168-I173 HydrophobicContact CG1-CG1 4.27Å; V168-M200 HydrophobicContact CB-CE 4.28Å; V168-M200 HydrophobicContact CG1-CE 3.7Å; V168-M200 HydrophobicContact CG2-CE 4.33Å
169S91.8Very high90.6Very high43 Ų4343.4 Ų43.430%0.30125%0.249SC..  trans-67.8152.2-176.496.20000111.9E134 T171 F172 I173E134-S169 PolarHBondContact OE1-OG 3.04Å; S169-T171 PolarHBondContact O-N 3.35Å; S169-T171 PolarHBondContact OG-N 3.2Å; S169-F172 PolarHBondContact O-N 2.85Å; S169-F172 PolarHBondContact OG-N 3.44Å; S169-I173 WeakPolarHBondContact O-CG1 3.08Å; S169-I173 PolarHBondContact O-N 3.46Å; S169-I173 VanDerWaalsContact O-N 3.15Å
170I91.2Very high90.8Very high69 Ų6942.2 Ų42.235%0.35424%0.243SC..Hα-helixtrans-62.9-31.4171.7-170.366000112.1I173 K174 K210I170-I173 HydrophobicContact CD1-CD1 4.49Å; I170-I173 PolarHBondContact O-N 3.42Å; I170-K174 HydrophobicContact CG1-CD 4.43Å; I170-K174 WeakPolarHBondContact O-CB 3.38Å; I170-K174 WeakPolarHBondContact O-CG 3.33Å; I170-K174 PolarHBondContact O-N 2.95Å; I170-K210 HydrophobicContact CD1-CB 4.16Å; I170-K210 HydrophobicContact CD1-CD 3.77Å; I170-K210 HydrophobicContact CD1-CG 3.95Å
171T93Very high90.7Very high81 Ų8142.5 Ų42.550%0.49725%0.248SC..Hα-helixtrans-65-43.3178.5-49.20000110.7E134 S169 K174 Q175E134-T171 HydrophobicContact CG-CG2 4.06Å; S169-T171 PolarHBondContact O-N 3.35Å; S169-T171 PolarHBondContact OG-N 3.2Å; T171-K174 PolarHBondContact O-N 3.44Å; T171-Q175 WeakPolarHBondContact O-CB 3.3Å; T171-Q175 PolarHBondContact O-N 3.17Å
172F94.2Very high90.6Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-61.8-47.4173.9-178.1-90.7000111.2T130 V133 E134 F154 V168 S169 K174 Q175 I176 I196 M200T130-F172 HydrophobicContact CG2-CD2 3.77Å; T130-F172 HydrophobicContact CG2-CE2 3.95Å; T130-F172 HydrophobicContact CG2-CG 4.21Å; V133-F172 HydrophobicContact CB-CD2 3.95Å; V133-F172 HydrophobicContact CB-CE2 3.69Å; V133-F172 HydrophobicContact CG1-CD2 3.88Å; V133-F172 HydrophobicContact CG1-CE2 3.7Å; V133-F172 HydrophobicContact CG2-CE2 3.83Å; E134-F172 HydrophobicContact CG-CB 4.33Å; E134-F172 WeakPolarHBondContact OE1-CB 3.44Å; E134-F172 PolarHBondContact OE1-N 3.06Å; F154-F172 HydrophobicContact CD1-CE1 4.4Å; F154-F172 AromaticContact CD1-CZ 3.93Å; F154-F172 HydrophobicContact CD1-CZ 3.93Å; F154-F172 HydrophobicContact CD2-CZ 4.23Å; F154-F172 AromaticContact CE1-CE1 3.73Å; F154-F172 HydrophobicContact CE1-CE1 3.73Å; F154-F172 AromaticContact CE1-CZ 3.7Å; F154-F172 HydrophobicContact CE1-CZ 3.7Å; F154-F172 HydrophobicContact CE2-CE1 4.32Å; F154-F172 HydrophobicContact CE2-CZ 4.02Å; F154-F172 HydrophobicContact CG-CZ 4.18Å; F154-F172 AromaticContact CZ-CE1 3.69Å; F154-F172 HydrophobicContact CZ-CE1 3.69Å; F154-F172 AromaticContact CZ-CZ 3.75Å; F154-F172 HydrophobicContact CZ-CZ 3.75Å; V168-F172 HydrophobicContact CG1-CB 3.94Å; V168-F172 HydrophobicContact CG1-CD1 3.25Å; V168-F172 HydrophobicContact CG1-CE1 3.95Å; V168-F172 HydrophobicContact CG1-CG 3.84Å; S169-F172 PolarHBondContact O-N 2.85Å; S169-F172 PolarHBondContact OG-N 3.44Å; F172-K174 VanDerWaalsContact C-N 3.34Å; F172-K174 PolarHBondContact O-N 2.87Å; F172-Q175 WeakPolarHBondContact O-CB 3.43Å; F172-Q175 PolarHBondContact O-N 3.48Å; F172-Q175 VanDerWaalsContact O-N 3.09Å; F172-I176 HydrophobicContact CD1-CG1 3.89Å; F172-I176 HydrophobicContact CE1-CD1 4.13Å; F172-I176 HydrophobicContact CE1-CG1 3.53Å; F172-I176 HydrophobicContact CE2-CD1 4.3Å; F172-I176 HydrophobicContact CE2-CG1 4.41Å; F172-I176 HydrophobicContact CG-CG1 4.5Å; F172-I176 HydrophobicContact CZ-CD1 3.89Å; F172-I176 HydrophobicContact CZ-CG1 3.83Å; F172-I176 WeakPolarHBondContact O-CG1 3.46Å; F172-I176 PolarHBondContact O-N 3.4Å; F172-I196 HydrophobicContact CE1-CG2 4.38Å; F172-M200 HydrophobicContact CD1-CE 3.92Å; F172-M200 HydrophobicContact CE1-CE 3.72Å
173I93.9Very high89.7Confident0 Ų046.1 Ų46.10%026%0.26CS..Hα-helixtrans-57.5-47.8178.7-64.5164.7000110.8V168 S169 I170 Q175 I176 A177 M200 L207 K210 I211V168-I173 HydrophobicContact CG1-CG1 4.27Å; S169-I173 WeakPolarHBondContact O-CG1 3.08Å; S169-I173 PolarHBondContact O-N 3.46Å; S169-I173 VanDerWaalsContact O-N 3.15Å; I170-I173 HydrophobicContact CD1-CD1 4.49Å; I170-I173 PolarHBondContact O-N 3.42Å; I173-Q175 VanDerWaalsContact C-N 3.28Å; I173-Q175 PolarHBondContact O-N 3.44Å; I173-I176 PolarHBondContact O-N 3.49Å; I173-A177 WeakPolarHBondContact O-CB 3.25Å; I173-A177 PolarHBondContact O-N 3.18Å; I173-M200 HydrophobicContact CG1-CE 4.28Å; I173-M200 HydrophobicContact CG1-SD 4.05Å; I173-L207 HydrophobicContact CD1-CD2 3.62Å; I173-K210 HydrophobicContact CD1-CD 4.4Å; I173-I211 HydrophobicContact CG2-CG1 4.02Å
174K92.7Very high88.8Confident108 Ų10853.5 Ų53.547%0.4730%0.295SS..Hα-helixtrans-58.6-39.4176.4-78.3-179.2165.4-179.50112.5I170 T171 F172 G178 E214I170-K174 HydrophobicContact CG1-CD 4.43Å; I170-K174 WeakPolarHBondContact O-CB 3.38Å; I170-K174 WeakPolarHBondContact O-CG 3.33Å; I170-K174 PolarHBondContact O-N 2.95Å; T171-K174 PolarHBondContact O-N 3.44Å; F172-K174 VanDerWaalsContact C-N 3.34Å; F172-K174 PolarHBondContact O-N 2.87Å; K174-G178 WeakPolarHBondContact O-CA 3.49Å; K174-G178 PolarHBondContact O-N 3.13Å; K174-E214 WeakPolarHBondContact CE-OE1 3.46Å; K174-E214 HydrophobicContact CG-CG 4.31Å; K174-E214 WeakPolarHBondContact CG-OE1 3.34Å; K174-E214 IonicContact NZ-OE1 2.82Å
175Q92.6Very high88.4Confident40 Ų4052.2 Ų52.219%0.18729%0.285CS..Hα-helixtrans-67.2-46177.9-174.774.7-23.800111.7V133 T171 F172 I173 G178 Y179V133-Q175 HydrophobicContact CG1-CB 4.47Å; V133-Q175 HydrophobicContact CG1-CG 3.86Å; V133-Q175 PolarHBondContact O-NE2 3.09Å; T171-Q175 WeakPolarHBondContact O-CB 3.3Å; T171-Q175 PolarHBondContact O-N 3.17Å; F172-Q175 WeakPolarHBondContact O-CB 3.43Å; F172-Q175 PolarHBondContact O-N 3.48Å; F172-Q175 VanDerWaalsContact O-N 3.09Å; I173-Q175 VanDerWaalsContact C-N 3.28Å; I173-Q175 PolarHBondContact O-N 3.44Å; Q175-G178 WeakPolarHBondContact O-CA 3.08Å; Q175-G178 PolarHBondContact O-N 3.07Å; Q175-Y179 HydrophobicContact CG-CE1 4.34Å; Q175-Y179 HydrophobicContact CG-CE2 4.04Å; Q175-Y179 WeakPolarHBondContact CG-OH 3.33Å; Q175-Y179 PolarHBondContact NE2-OH 3.26Å; Q175-Y179 PolarHBondContact O-N 3.46Å
176I94Very high88.3Confident0 Ų054.9 Ų54.90%030%0.3CS..Hα-helixtrans-64.5-45.9177.3-60-56.5000111.1V133 L151 F172 I173 G178 Y179 V180 I196 L197V133-I176 HydrophobicContact CG1-CD1 3.93Å; L151-I176 HydrophobicContact CD2-CD1 3.51Å; F172-I176 HydrophobicContact CD1-CG1 3.89Å; F172-I176 HydrophobicContact CE1-CD1 4.13Å; F172-I176 HydrophobicContact CE1-CG1 3.53Å; F172-I176 HydrophobicContact CE2-CD1 4.3Å; F172-I176 HydrophobicContact CE2-CG1 4.41Å; F172-I176 HydrophobicContact CG-CG1 4.5Å; F172-I176 HydrophobicContact CZ-CD1 3.89Å; F172-I176 HydrophobicContact CZ-CG1 3.83Å; F172-I176 WeakPolarHBondContact O-CG1 3.46Å; F172-I176 PolarHBondContact O-N 3.4Å; I173-I176 PolarHBondContact O-N 3.49Å; I176-G178 PolarHBondContact O-N 3.22Å; I176-Y179 HydrophobicContact CD1-CD2 4.05Å; I176-Y179 HydrophobicContact CD1-CE2 4.05Å; I176-Y179 WeakPolarHBondContact O-CB 3.38Å; I176-Y179 PolarHBondContact O-N 3.18Å; I176-V180 PolarHBondContact O-N 3.15Å; I176-I196 HydrophobicContact CG2-CB 4.46Å; I176-I196 HydrophobicContact CG2-CG2 4.3Å; I176-L197 HydrophobicContact CB-CD2 4.46Å; I176-L197 HydrophobicContact CG2-CD1 4Å; I176-L197 HydrophobicContact CG2-CD2 4.01Å; I176-L197 HydrophobicContact CG2-CG 3.71Å
177A93Very high88.3Confident0 Ų053.9 Ų53.90%030%0.297CS..Hα-helixtrans-60.1-36173.200000111.5I173 Y179 V180 S181 E214 I215I173-A177 WeakPolarHBondContact O-CB 3.25Å; I173-A177 PolarHBondContact O-N 3.18Å; A177-Y179 VanDerWaalsContact C-N 3.31Å; A177-Y179 PolarHBondContact O-N 3.11Å; A177-V180 PolarHBondContact O-N 3.45Å; A177-V180 VanDerWaalsContact O-N 3.15Å; A177-S181 WeakPolarHBondContact O-CB 3.41Å; A177-S181 PolarHBondContact O-N 2.64Å; A177-S181 PolarHBondContact O-OG 3.33Å; A177-E214 HydrophobicContact CB-CB 3.72Å; A177-I215 HydrophobicContact CB-CD1 4.16Å; A177-I215 HydrophobicContact CB-CG1 3.88Å
178G90.9Very high88.4Confident20 Ų2049 Ų4921%0.20628%0.278CS..Hα-helixtrans-60-35.5172.300000113.5K174 Q175 I176 S181 Q182K174-G178 WeakPolarHBondContact O-CA 3.49Å; K174-G178 PolarHBondContact O-N 3.13Å; Q175-G178 WeakPolarHBondContact O-CA 3.08Å; Q175-G178 PolarHBondContact O-N 3.07Å; I176-G178 PolarHBondContact O-N 3.22Å; G178-S181 PolarHBondContact O-N 3.39Å; G178-Q182 WeakPolarHBondContact O-CG 3.47Å; G178-Q182 PolarHBondContact O-N 2.9Å; G178-Q182 PolarHBondContact O-NE2 3.39Å
179Y91.2Very high88.4Confident10 Ų1049 Ų494%0.03928%0.278CS..Hα-helixtrans-69.8-32.9174-60-35.6000112.5V133 L147 Q175 I176 A177 V185 I189V133-Y179 HydrophobicContact CG1-CE2 4.21Å; L147-Y179 HydrophobicContact CD1-CE2 4.47Å; L147-Y179 HydrophobicContact CD2-CE1 4.34Å; L147-Y179 HydrophobicContact CD2-CE2 3.89Å; Q175-Y179 HydrophobicContact CG-CE1 4.34Å; Q175-Y179 HydrophobicContact CG-CE2 4.04Å; Q175-Y179 WeakPolarHBondContact CG-OH 3.33Å; Q175-Y179 PolarHBondContact NE2-OH 3.26Å; Q175-Y179 PolarHBondContact O-N 3.46Å; I176-Y179 HydrophobicContact CD1-CD2 4.05Å; I176-Y179 HydrophobicContact CD1-CE2 4.05Å; I176-Y179 WeakPolarHBondContact O-CB 3.38Å; I176-Y179 PolarHBondContact O-N 3.18Å; A177-Y179 VanDerWaalsContact C-N 3.31Å; A177-Y179 PolarHBondContact O-N 3.11Å; Y179-V185 WeakPolarHBondContact O-CG2 3.43Å; Y179-I189 HydrophobicContact CD2-CG2 4.07Å; Y179-I189 HydrophobicContact CG-CG2 4.13Å
180V91.1Very high88.4Confident1 Ų147.8 Ų47.81%0.00627%0.267CS..Hα-helixtrans-74.2-33.7173.6179.80000111.6I176 A177 Q182 L190 L194 L197 L220 H223I176-V180 PolarHBondContact O-N 3.15Å; A177-V180 PolarHBondContact O-N 3.45Å; A177-V180 VanDerWaalsContact O-N 3.15Å; V180-Q182 VanDerWaalsContact C-N 3.35Å; V180-L190 HydrophobicContact CB-CD1 4.4Å; V180-L190 HydrophobicContact CG1-CD1 4.47Å; V180-L190 HydrophobicContact CG2-CD1 4.18Å; V180-L194 HydrophobicContact CG1-CD2 3.77Å; V180-L194 HydrophobicContact CG2-CD2 3.96Å; V180-L194 HydrophobicContact CG2-CG 4.21Å; V180-L197 HydrophobicContact CB-CD1 4.35Å; V180-L197 HydrophobicContact CG2-CD1 3.49Å; V180-L197 VanDerWaalsContact CG2-CD1 3.49Å; V180-L220 HydrophobicContact CG1-CD2 4.39Å; V180-H223 PolarHBondContact O-CE1 3.47Å; V180-H223 PolarHBondContact O-NE2 3.39Å
181S86.4Confident88.5Confident35 Ų3545.5 Ų45.525%0.24526%0.255CS..Hα-helixtrans-78.9-15.1-177.3-730000114.4A177 G178 Q219A177-S181 WeakPolarHBondContact O-CB 3.41Å; A177-S181 PolarHBondContact O-N 2.64Å; A177-S181 PolarHBondContact O-OG 3.33Å; G178-S181 PolarHBondContact O-N 3.39Å; S181-Q219 VanDerWaalsContact CB-NE2 3.27Å; S181-Q219 PolarHBondContact OG-NE2 3.24Å; S181-Q219 VanDerWaalsContact OG-NE2 3.14Å; S181-Q219 PolarHBondContact OG-OE1 3.5Å
182Q82.4Confident88.5Confident68 Ų6844.9 Ų44.932%0.31824%0.244SC..SBendtrans-82.2137.3-176.6-83.5165.657.900112G178 V180 M184 V185G178-Q182 WeakPolarHBondContact O-CG 3.47Å; G178-Q182 PolarHBondContact O-N 2.9Å; G178-Q182 PolarHBondContact O-NE2 3.39Å; V180-Q182 VanDerWaalsContact C-N 3.35Å; Q182-M184 VanDerWaalsContact C-N 3.28Å; Q182-M184 PolarHBondContact O-N 2.99Å; Q182-V185 HydrophobicContact CB-CG2 3.56Å
183P70.3Confident88.5Confident141 Ų14144.9 Ų44.992%0.91624%0.244SC*.SBendtrans-66.6-23.5-177.5-20.531.2000115.1
184M67.9Low88.6Confident179 Ų17944.9 Ų44.988%0.88224%0.244SC*.SBendtrans-138.592.6-173.1-166.4177.8-177.100109.4Q182Q182-M184 VanDerWaalsContact C-N 3.28Å; Q182-M184 PolarHBondContact O-N 2.99Å
185V81.7Confident88.7Confident35 Ų3539.8 Ų39.821%0.21222%0.222CC..  trans-127.8148.5174.9174.50000108.3Y179 Q182 I189 L190Y179-V185 WeakPolarHBondContact O-CG2 3.43Å; Q182-V185 HydrophobicContact CB-CG2 3.56Å; V185-I189 HydrophobicContact CG1-CB 3.74Å; V185-I189 HydrophobicContact CG1-CG2 3.67Å; V185-L190 HydrophobicContact CG1-CB 4.42Å
186D87.3Confident88.8Confident70 Ų7037.9 Ų37.937%0.37421%0.213SC..  trans-55.6139.9174.1-177.3-97000111S188 I189 L190D186-S188 VanDerWaalsContact C-N 3.25Å; D186-S188 PolarHBondContact O-N 3.46Å; D186-S188 WeakPolarHBondContact OD1-CA 2.82Å; D186-S188 WeakPolarHBondContact OD1-CB 3.32Å; D186-S188 PolarHBondContact OD1-N 3.46Å; D186-S188 PolarHBondContact OD1-OG 3.09Å; D186-I189 HydrophobicContact CB-CB 4.35Å; D186-I189 HydrophobicContact CB-CD1 3.79Å; D186-I189 HydrophobicContact CB-CG1 4Å; D186-I189 PolarHBondContact O-N 2.99Å; D186-I189 VanDerWaalsContact O-N 3.15Å; D186-L190 PolarHBondContact O-N 3.47Å
187V89.4Confident88.9Confident68 Ų6837.9 Ų37.941%0.41221%0.213SC..Hα-helixtrans-56-41.9-177173.70000111.3L190 Q191 N228 I231V187-L190 PolarHBondContact O-N 3.14Å; V187-Q191 VanDerWaalsContact O-CB 3.29Å; V187-Q191 WeakPolarHBondContact O-CB 3.46Å; V187-Q191 PolarHBondContact O-N 2.83Å; V187-N228 VanDerWaalsContact CG1-ND2 3.27Å; V187-N228 WeakPolarHBondContact CG1-ND2 3.31Å; V187-I231 HydrophobicContact CG1-CD1 3.99Å; V187-I231 HydrophobicContact CG1-CG1 4.04Å
188S89.6Confident89.1Confident51 Ų5139 Ų3936%0.35722%0.219SC..Hα-helixtrans-67.1-41.6-177.8-380000110.8D186 Q191 R192D186-S188 VanDerWaalsContact C-N 3.25Å; D186-S188 PolarHBondContact O-N 3.46Å; D186-S188 WeakPolarHBondContact OD1-CA 2.82Å; D186-S188 WeakPolarHBondContact OD1-CB 3.32Å; D186-S188 PolarHBondContact OD1-N 3.46Å; D186-S188 PolarHBondContact OD1-OG 3.09Å; S188-Q191 PolarHBondContact O-N 2.94Å; S188-R192 VanDerWaalsContact O-CG 3.3Å; S188-R192 WeakPolarHBondContact O-CG 3.44Å; S188-R192 PolarHBondContact O-N 3.27Å
189I91.5Very high89.1Confident11 Ų1138.1 Ų38.16%0.05621%0.209CC..Hα-helixtrans-65.1-46.7177.2-60.6171.8000110.1L147 A148 L151 Y179 V185 D186 Q191 R192 S193L147-I189 HydrophobicContact CD2-CD1 4.01Å; L147-I189 HydrophobicContact CD2-CG1 4.49Å; L147-I189 HydrophobicContact CD2-CG2 4.21Å; L147-I189 HydrophobicContact CG-CD1 4.44Å; A148-I189 HydrophobicContact CB-CG1 4.45Å; L151-I189 HydrophobicContact CD1-CG2 4.03Å; Y179-I189 HydrophobicContact CD2-CG2 4.07Å; Y179-I189 HydrophobicContact CG-CG2 4.13Å; V185-I189 HydrophobicContact CG1-CB 3.74Å; V185-I189 HydrophobicContact CG1-CG2 3.67Å; D186-I189 HydrophobicContact CB-CB 4.35Å; D186-I189 HydrophobicContact CB-CD1 3.79Å; D186-I189 HydrophobicContact CB-CG1 4Å; D186-I189 PolarHBondContact O-N 2.99Å; D186-I189 VanDerWaalsContact O-N 3.15Å; I189-Q191 PolarHBondContact O-N 2.95Å; I189-R192 PolarHBondContact O-N 2.53Å; I189-S193 VanDerWaalsContact O-CB 3.25Å; I189-S193 WeakPolarHBondContact O-CB 3.45Å; I189-S193 PolarHBondContact O-N 3.49Å; I189-S193 PolarHBondContact O-OG 3.31Å
190L92.6Very high89.2Confident16 Ų1637.6 Ų37.68%0.08421%0.207CC..Hα-helixtrans-60.8-45.8179178.560.9000111V180 V185 D186 V187 S193 L194 I231V180-L190 HydrophobicContact CB-CD1 4.4Å; V180-L190 HydrophobicContact CG1-CD1 4.47Å; V180-L190 HydrophobicContact CG2-CD1 4.18Å; V185-L190 HydrophobicContact CG1-CB 4.42Å; D186-L190 PolarHBondContact O-N 3.47Å; V187-L190 PolarHBondContact O-N 3.14Å; L190-S193 PolarHBondContact O-N 3.11Å; L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CG 4.15Å; L190-L194 HydrophobicContact CG-CD1 4.06Å; L190-L194 HydrophobicContact CG-CG 4.49Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 2.87Å; L190-I231 HydrophobicContact CB-CD1 4.27Å; L190-I231 HydrophobicContact CD2-CD1 4.11Å; L190-I231 HydrophobicContact CD2-CG2 3.87Å; L190-I231 HydrophobicContact CG-CD1 4.11Å
191Q92.1Very high89.3Confident22 Ų2237.6 Ų37.610%0.10321%0.207CC..Hα-helixtrans-57.1-51.8177.3-174-175.1600111.7V187 S188 I189 S193 L194 A195 E230 I231 Y234V187-Q191 VanDerWaalsContact O-CB 3.29Å; V187-Q191 WeakPolarHBondContact O-CB 3.46Å; V187-Q191 PolarHBondContact O-N 2.83Å; S188-Q191 PolarHBondContact O-N 2.94Å; I189-Q191 PolarHBondContact O-N 2.95Å; Q191-S193 VanDerWaalsContact C-N 3.31Å; Q191-S193 PolarHBondContact O-N 3.47Å; Q191-L194 PolarHBondContact O-N 3.46Å; Q191-A195 WeakPolarHBondContact O-CB 3.35Å; Q191-A195 PolarHBondContact O-N 3.33Å; Q191-E230 PolarHBondContact NE2-OE2 3.11Å; Q191-I231 HydrophobicContact CB-CD1 3.83Å; Q191-Y234 HydrophobicContact CG-CD2 3.56Å; Q191-Y234 HydrophobicContact CG-CE2 3.53Å; Q191-Y234 HydrophobicContact CG-CG 4.39Å
192R93.2Very high89.4Confident67 Ų6737.4 Ų37.425%0.25320%0.203SC..Hα-helixtrans-65.6-35.5178.7-62.4-62.6179.6-81.82.2111.9L151 T152 S188 I189 A195 I196L151-R192 HydrophobicContact CB-CB 3.82Å; L151-R192 HydrophobicContact CB-CG 4.39Å; L151-R192 HydrophobicContact CD1-CB 4.17Å; T152-R192 PolarHBondContact OG1-NE 2.48Å; S188-R192 VanDerWaalsContact O-CG 3.3Å; S188-R192 WeakPolarHBondContact O-CG 3.44Å; S188-R192 PolarHBondContact O-N 3.27Å; I189-R192 PolarHBondContact O-N 2.53Å; R192-A195 PolarHBondContact O-N 2.95Å; R192-I196 WeakPolarHBondContact O-CB 3.23Å; R192-I196 WeakPolarHBondContact O-CD1 3.45Å; R192-I196 WeakPolarHBondContact O-CG1 3.41Å; R192-I196 PolarHBondContact O-N 2.96Å
193S95.2Very high89.5Confident0 Ų038.8 Ų38.80%021%0.213CC..Hα-helixtrans-66-47.3178.2-59.50000111.7I189 L190 Q191 A195 I196 L197I189-S193 VanDerWaalsContact O-CB 3.25Å; I189-S193 WeakPolarHBondContact O-CB 3.45Å; I189-S193 PolarHBondContact O-N 3.49Å; I189-S193 PolarHBondContact O-OG 3.31Å; L190-S193 PolarHBondContact O-N 3.11Å; Q191-S193 VanDerWaalsContact C-N 3.31Å; Q191-S193 PolarHBondContact O-N 3.47Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 2.95Å; S193-I196 PolarHBondContact O-N 3.4Å; S193-L197 WeakPolarHBondContact O-CD1 3.28Å; S193-L197 VanDerWaalsContact O-CG 3.27Å; S193-L197 WeakPolarHBondContact O-CG 3.25Å; S193-L197 PolarHBondContact O-N 2.77Å
194L95.6Very high90.3Very high0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-58.6-46174.3-71.7168.1000111V180 L190 Q191 L197 E198 L220 I231 A235 L238V180-L194 HydrophobicContact CG1-CD2 3.77Å; V180-L194 HydrophobicContact CG2-CD2 3.96Å; V180-L194 HydrophobicContact CG2-CG 4.21Å; L190-L194 HydrophobicContact CD1-CD1 4.15Å; L190-L194 HydrophobicContact CD1-CG 4.15Å; L190-L194 HydrophobicContact CG-CD1 4.06Å; L190-L194 HydrophobicContact CG-CG 4.49Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 2.87Å; Q191-L194 PolarHBondContact O-N 3.46Å; L194-L197 PolarHBondContact O-N 2.87Å; L194-E198 WeakPolarHBondContact O-CB 3.22Å; L194-E198 PolarHBondContact O-N 2.85Å; L194-L220 HydrophobicContact CD2-CD2 4.25Å; L194-I231 HydrophobicContact CD1-CG2 4.35Å; L194-A235 HydrophobicContact CD1-CB 4.39Å; L194-L238 HydrophobicContact CD2-CD2 3.76Å
195A94.6Very high91.1Very high2 Ų227.8 Ų27.82%0.01715%0.148CC..Hα-helixtrans-57.6-54.6175.800000110.8L155 Q191 R192 S193 L197 E198 S199 Y234 R562L155-A195 HydrophobicContact CD2-CB 3.82Å; Q191-A195 WeakPolarHBondContact O-CB 3.35Å; Q191-A195 PolarHBondContact O-N 3.33Å; R192-A195 PolarHBondContact O-N 2.95Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 2.95Å; A195-L197 VanDerWaalsContact C-N 3.3Å; A195-L197 PolarHBondContact O-N 3.45Å; A195-E198 PolarHBondContact O-N 3.14Å; A195-E198 VanDerWaalsContact O-N 3.16Å; A195-S199 PolarHBondContact O-N 3.34Å; A195-Y234 HydrophobicContact CB-CD1 3.8Å; A195-Y234 HydrophobicContact CB-CE1 3.59Å; A195-R562 VanDerWaalsContact C-NH1 3.3Å; A195-R562 PolarHBondContact O-NH1 3.41Å; A195-R562 PolarHBondContact O-NH2 2.93Å
196I95.8Very high91.5Very high0 Ų028.4 Ų28.40%015%0.154CC..Hα-helixtrans-54.1-46.4-179.4-73.2164.5000111.5L151 F154 L155 W165 F172 I176 R192 S193 S199 M200L151-I196 HydrophobicContact CB-CD1 3.99Å; L151-I196 HydrophobicContact CD2-CD1 3.87Å; L151-I196 HydrophobicContact CG-CD1 4.4Å; F154-I196 HydrophobicContact CD1-CD1 3.89Å; F154-I196 HydrophobicContact CD1-CG1 4.2Å; F154-I196 HydrophobicContact CE1-CD1 4.39Å; F154-I196 HydrophobicContact CE1-CG1 4.41Å; F154-I196 HydrophobicContact CE1-CG2 4Å; L155-I196 HydrophobicContact CB-CG1 4.04Å; L155-I196 HydrophobicContact CD1-CG1 4.07Å; L155-I196 HydrophobicContact CD2-CG1 4.41Å; L155-I196 HydrophobicContact CG-CG1 4.4Å; W165-I196 HydrophobicContact CZ3-CG2 4.24Å; F172-I196 HydrophobicContact CE1-CG2 4.38Å; I176-I196 HydrophobicContact CG2-CB 4.46Å; I176-I196 HydrophobicContact CG2-CG2 4.3Å; R192-I196 WeakPolarHBondContact O-CB 3.23Å; R192-I196 WeakPolarHBondContact O-CD1 3.45Å; R192-I196 WeakPolarHBondContact O-CG1 3.41Å; R192-I196 PolarHBondContact O-N 2.96Å; S193-I196 PolarHBondContact O-N 3.4Å; I196-S199 WeakPolarHBondContact O-CB 3.36Å; I196-S199 PolarHBondContact O-N 3.29Å; I196-S199 VanDerWaalsContact O-N 3.16Å; I196-M200 HydrophobicContact CG2-CE 3.59Å; I196-M200 HydrophobicContact CG2-SD 4.1Å; I196-M200 WeakPolarHBondContact O-CG 3.17Å; I196-M200 PolarHBondContact O-N 2.94Å
197L96.2Very high91.8Very high0 Ų025.1 Ų25.10%014%0.136CC..Hα-helixtrans-64.3-42.9180-68.9163.3000112.3I176 V180 S193 L194 A195 S199 M200 V201 I211 I215 L238I176-L197 HydrophobicContact CB-CD2 4.46Å; I176-L197 HydrophobicContact CG2-CD1 4Å; I176-L197 HydrophobicContact CG2-CD2 4.01Å; I176-L197 HydrophobicContact CG2-CG 3.71Å; V180-L197 HydrophobicContact CB-CD1 4.35Å; V180-L197 HydrophobicContact CG2-CD1 3.49Å; V180-L197 VanDerWaalsContact CG2-CD1 3.49Å; S193-L197 WeakPolarHBondContact O-CD1 3.28Å; S193-L197 VanDerWaalsContact O-CG 3.27Å; S193-L197 WeakPolarHBondContact O-CG 3.25Å; S193-L197 PolarHBondContact O-N 2.77Å; L194-L197 PolarHBondContact O-N 2.87Å; A195-L197 VanDerWaalsContact C-N 3.3Å; A195-L197 PolarHBondContact O-N 3.45Å; L197-S199 PolarHBondContact O-N 2.9Å; L197-M200 HydrophobicContact CD2-SD 4.46Å; L197-M200 WeakPolarHBondContact O-CB 3.43Å; L197-M200 PolarHBondContact O-N 3.06Å; L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.5Å; L197-V201 PolarHBondContact O-N 2.67Å; L197-I211 HydrophobicContact CD2-CD1 3.92Å; L197-I211 HydrophobicContact CD2-CG1 3.95Å; L197-I211 HydrophobicContact CD2-CG2 4.28Å; L197-I215 HydrophobicContact CD1-CD1 3.48Å; L197-I215 VanDerWaalsContact CD1-CD1 3.48Å; L197-I215 HydrophobicContact CD2-CD1 4.36Å; L197-I215 HydrophobicContact CG-CD1 4.42Å; L197-L238 HydrophobicContact CB-CD1 4.19Å; L197-L238 HydrophobicContact CB-CD2 4.14Å; L197-L238 HydrophobicContact CD1-CD2 4.41Å
198E95.6Very high92Very high24 Ų2422.5 Ų22.511%0.11212%0.119CC..Hα-helixtrans-60.5-38.2175.3-179.7-142129.900110.4L194 A195 V201 L202 A237 L238 A241 R562L194-E198 WeakPolarHBondContact O-CB 3.22Å; L194-E198 PolarHBondContact O-N 2.85Å; A195-E198 PolarHBondContact O-N 3.14Å; A195-E198 VanDerWaalsContact O-N 3.16Å; E198-V201 PolarHBondContact O-N 3.27Å; E198-L202 HydrophobicContact CG-CD1 4.22Å; E198-L202 VanDerWaalsContact O-CG 3.31Å; E198-L202 WeakPolarHBondContact O-CG 3.41Å; E198-L202 PolarHBondContact O-N 3.11Å; E198-A237 HydrophobicContact CG-CB 4.43Å; E198-A237 WeakPolarHBondContact OE2-CB 3.42Å; E198-L238 HydrophobicContact CB-CB 4.22Å; E198-L238 HydrophobicContact CB-CD1 4.02Å; E198-A241 HydrophobicContact CG-CB 3.77Å; E198-R562 VanDerWaalsContact C-NH2 3.27Å; E198-R562 VanDerWaalsContact CG-NH2 3.26Å; E198-R562 IonicContact OE1-CZ 3.52Å; E198-R562 IonicContact OE1-NE 3.77Å; E198-R562 IonicContact OE1-NH2 2.97Å; E198-R562 PolarHBondContact OE1-NH2 3.36Å; E198-R562 IonicContact OE2-NH2 3.54Å; E198-R562 PolarHBondContact OE2-NH2 3.48Å; E198-R562 VanDerWaalsContact OE2-NH2 3.13Å
199S92.4Very high92Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-65-45.8177.6-120.20000110.8W165 A195 I196 L197 V201 L202 N203 R562W165-S199 VanDerWaalsContact CZ2-CB 3.4Å; W165-S199 WeakPolarHBondContact CZ2-OG 3.38Å; A195-S199 PolarHBondContact O-N 3.34Å; I196-S199 WeakPolarHBondContact O-CB 3.36Å; I196-S199 PolarHBondContact O-N 3.29Å; I196-S199 VanDerWaalsContact O-N 3.16Å; L197-S199 PolarHBondContact O-N 2.9Å; S199-V201 VanDerWaalsContact C-N 3.33Å; S199-V201 PolarHBondContact O-N 3Å; S199-L202 PolarHBondContact O-N 3.05Å; S199-N203 WeakPolarHBondContact O-CB 3.43Å; S199-N203 PolarHBondContact O-N 3.37Å; S199-N203 PolarHBondContact O-ND2 3.18Å; S199-R562 VanDerWaalsContact CA-CZ 3.49Å; S199-R562 WeakPolarHBondContact OG-CD 3.22Å; S199-R562 PolarHBondContact OG-NE 3.32Å; S199-R562 PolarHBondContact OG-NH1 3Å
200M92.6Very high92.1Very high0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-58.9-45.8177.4-72.517517400111.3F154 W165 V168 F172 I173 I196 L197 N203 S204 L207 I211F154-M200 HydrophobicContact CE1-CE 4.49Å; W165-M200 HydrophobicContact CD2-CG 4.27Å; W165-M200 HydrophobicContact CE3-CB 4.39Å; W165-M200 HydrophobicContact CE3-CE 4.01Å; W165-M200 HydrophobicContact CE3-CG 3.35Å; W165-M200 HydrophobicContact CZ3-CE 3.83Å; W165-M200 HydrophobicContact CZ3-CG 3.56Å; V168-M200 HydrophobicContact CB-CE 4.28Å; V168-M200 HydrophobicContact CG1-CE 3.7Å; V168-M200 HydrophobicContact CG2-CE 4.33Å; F172-M200 HydrophobicContact CD1-CE 3.92Å; F172-M200 HydrophobicContact CE1-CE 3.72Å; I173-M200 HydrophobicContact CG1-CE 4.28Å; I173-M200 HydrophobicContact CG1-SD 4.05Å; I196-M200 HydrophobicContact CG2-CE 3.59Å; I196-M200 HydrophobicContact CG2-SD 4.1Å; I196-M200 WeakPolarHBondContact O-CG 3.17Å; I196-M200 PolarHBondContact O-N 2.94Å; L197-M200 HydrophobicContact CD2-SD 4.46Å; L197-M200 WeakPolarHBondContact O-CB 3.43Å; L197-M200 PolarHBondContact O-N 3.06Å; M200-N203 PolarHBondContact O-N 3.38Å; M200-S204 PolarHBondContact O-N 3.34Å; M200-L207 HydrophobicContact CB-CB 4.22Å; M200-L207 HydrophobicContact CB-CD1 3.89Å; M200-L207 HydrophobicContact CG-CD1 4.06Å; M200-I211 HydrophobicContact CB-CD1 3.51Å; M200-I211 HydrophobicContact CG-CD1 4.45Å; M200-I211 HydrophobicContact SD-CD1 4.17Å
201V93.3Very high92.2Very high0 Ų027.5 Ų27.50%014%0.135CC..Hα-helixtrans-59.8-49.8177.3170.60000110.6L197 E198 S199 N203 Y208 I211 L238 A241 L242 K245L197-V201 VanDerWaalsContact O-CG2 3.31Å; L197-V201 WeakPolarHBondContact O-CG2 3.5Å; L197-V201 PolarHBondContact O-N 2.67Å; E198-V201 PolarHBondContact O-N 3.27Å; S199-V201 VanDerWaalsContact C-N 3.33Å; S199-V201 PolarHBondContact O-N 3Å; V201-N203 VanDerWaalsContact C-N 3.3Å; V201-N203 PolarHBondContact O-N 2.96Å; V201-Y208 HydrophobicContact CG1-CD2 3.96Å; V201-I211 HydrophobicContact CG2-CB 4.2Å; V201-I211 HydrophobicContact CG2-CD1 3.73Å; V201-I211 HydrophobicContact CG2-CG2 4Å; V201-L238 HydrophobicContact CG2-CD1 4.22Å; V201-A241 HydrophobicContact CB-CB 4.29Å; V201-A241 HydrophobicContact CG1-CB 3.85Å; V201-A241 WeakPolarHBondContact CG1-O 3.37Å; V201-L242 HydrophobicContact CG1-CD2 4.46Å; V201-L242 HydrophobicContact CG2-CD2 4.07Å; V201-K245 HydrophobicContact CG1-CB 3.99Å; V201-K245 HydrophobicContact CG1-CG 3.91Å; V201-K245 WeakPolarHBondContact O-CE 3.39Å; V201-K245 WeakPolarHBondContact O-CG 3.3Å
202L88.2Confident92.1Very high31 Ų3128.5 Ų28.516%0.16215%0.147CC..Hα-helixtrans-66-31.8-177-69.3176000113.1E198 S199 A241 L244 K245E198-L202 HydrophobicContact CG-CD1 4.22Å; E198-L202 VanDerWaalsContact O-CG 3.31Å; E198-L202 WeakPolarHBondContact O-CG 3.41Å; E198-L202 PolarHBondContact O-N 3.11Å; S199-L202 PolarHBondContact O-N 3.05Å; L202-A241 HydrophobicContact CD1-CB 4.5Å; L202-A241 HydrophobicContact CD2-CB 3.77Å; L202-A241 HydrophobicContact CG-CB 3.88Å; L202-L244 HydrophobicContact CD2-CD2 4.07Å; L202-K245 WeakPolarHBondContact O-CE 3.41Å; L202-K245 PolarHBondContact O-NZ 2.97Å
203N85.4Confident92Very high98 Ų9832.8 Ų32.852%0.52417%0.17SC..Hα-helixtrans-94.4-17.7-174.5-71.1-73.5000114.9W165 S199 M200 V201W165-N203 HydrophobicContact CB-CB 4.47Å; W165-N203 VanDerWaalsContact CD1-CB 3.41Å; W165-N203 HydrophobicContact CG-CB 4Å; S199-N203 WeakPolarHBondContact O-CB 3.43Å; S199-N203 PolarHBondContact O-N 3.37Å; S199-N203 PolarHBondContact O-ND2 3.18Å; M200-N203 PolarHBondContact O-N 3.38Å; V201-N203 VanDerWaalsContact C-N 3.3Å; V201-N203 PolarHBondContact O-N 2.96Å
204S85.8Confident91.8Very high12 Ų1235.8 Ų35.88%0.08418%0.184CC..  trans-147.8130.4179.9176.30000114.3D166 M200 S206 L207 Y208D166-S204 WeakPolarHBondContact OD1-CB 3.17Å; D166-S204 PolarHBondContact OD1-OG 3.33Å; M200-S204 PolarHBondContact O-N 3.34Å; S204-S206 VanDerWaalsContact C-N 3.31Å; S204-S206 PolarHBondContact O-N 2.77Å; S204-S206 PolarHBondContact OG-N 3.34Å; S204-S206 PolarHBondContact OG-OG 3.15Å; S204-L207 PolarHBondContact O-N 2.81Å; S204-L207 PolarHBondContact OG-N 2.85Å; S204-Y208 PolarHBondContact O-N 2.87Å
205Q85.7Confident91.6Very high77 Ų7736.4 Ų36.436%0.3619%0.187SC..Hα-helixtrans-67.7-32.5175.8-165.264.12600112.3L207 Q209 K245Q205-L207 VanDerWaalsContact C-N 3.34Å; Q205-Q209 PolarHBondContact O-N 2.93Å; Q205-K245 PolarHBondContact NE2-O 2.57Å
206S89.9Confident91.4Very high48 Ų4840 Ų4034%0.33621%0.209SC..Hα-helixtrans-69-36.9178.786.40000111.1D166 S204 K210D166-S206 PolarHBondContact OD1-OG 2.98Å; S204-S206 VanDerWaalsContact C-N 3.31Å; S204-S206 PolarHBondContact O-N 2.77Å; S204-S206 PolarHBondContact OG-N 3.34Å; S204-S206 PolarHBondContact OG-OG 3.15Å; S206-K210 PolarHBondContact O-N 2.86Å
207L92.8Very high91.2Very high1 Ų141.5 Ų41.51%0.00522%0.218CC..Hα-helixtrans-73.5-37.8177.5-59.7-175.3000111.8W165 I173 M200 S204 Q205 Q209 K210 I211W165-L207 HydrophobicContact CB-CD1 3.68Å; I173-L207 HydrophobicContact CD1-CD2 3.62Å; M200-L207 HydrophobicContact CB-CB 4.22Å; M200-L207 HydrophobicContact CB-CD1 3.89Å; M200-L207 HydrophobicContact CG-CD1 4.06Å; S204-L207 PolarHBondContact O-N 2.81Å; S204-L207 PolarHBondContact OG-N 2.85Å; Q205-L207 VanDerWaalsContact C-N 3.34Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 3.03Å; L207-K210 HydrophobicContact CD2-CD 4.29Å; L207-K210 PolarHBondContact O-N 3.36Å; L207-I211 WeakPolarHBondContact O-CB 3.34Å; L207-I211 VanDerWaalsContact O-CG1 3.28Å; L207-I211 WeakPolarHBondContact O-CG1 3.28Å; L207-I211 PolarHBondContact O-N 3.33Å
208Y93.3Very high90.9Very high12 Ų1243.1 Ų43.15%0.04724%0.235CC..Hα-helixtrans-51.1-49.8171.5159.8-97.7000112V201 S204 K210 I211 A212 L242 K245 A246 M254V201-Y208 HydrophobicContact CG1-CD2 3.96Å; S204-Y208 PolarHBondContact O-N 2.87Å; Y208-K210 PolarHBondContact O-N 3.17Å; Y208-I211 PolarHBondContact O-N 2.66Å; Y208-A212 WeakPolarHBondContact O-CB 3.26Å; Y208-A212 PolarHBondContact O-N 2.85Å; Y208-L242 HydrophobicContact CD2-CD2 3.92Å; Y208-L242 HydrophobicContact CE2-CD2 3.86Å; Y208-K245 HydrophobicContact CD2-CB 3.82Å; Y208-K245 HydrophobicContact CE2-CB 4.35Å; Y208-K245 HydrophobicContact CG-CB 4.03Å; Y208-A246 WeakPolarHBondContact OH-CA 3.48Å; Y208-M254 HydrophobicContact CE2-CE 4.23Å; Y208-M254 WeakPolarHBondContact OH-CE 3.28Å
209Q91.1Very high90.7Very high109 Ų10944.5 Ų44.551%0.50924%0.241SC..Hα-helixtrans-59.9-46.5-178.7-69.2175.2-7.900111.5Q205 L207 A212 E213Q205-Q209 PolarHBondContact O-N 2.93Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 3.03Å; Q209-A212 PolarHBondContact O-N 2.91Å; Q209-E213 WeakPolarHBondContact O-CG 3.39Å; Q209-E213 PolarHBondContact O-N 2.78Å
210K93.1Very high90.7Very high73 Ų7344.6 Ų44.632%0.31724%0.242SC..Hα-helixtrans-62.1-44.8177.8-67.9162.2174.9174.50111.7I170 I173 S206 L207 Y208 A212 E213 E214I170-K210 HydrophobicContact CD1-CB 4.16Å; I170-K210 HydrophobicContact CD1-CD 3.77Å; I170-K210 HydrophobicContact CD1-CG 3.95Å; I173-K210 HydrophobicContact CD1-CD 4.4Å; S206-K210 PolarHBondContact O-N 2.86Å; L207-K210 HydrophobicContact CD2-CD 4.29Å; L207-K210 PolarHBondContact O-N 3.36Å; Y208-K210 PolarHBondContact O-N 3.17Å; K210-A212 PolarHBondContact O-N 2.96Å; K210-E213 PolarHBondContact O-N 2.99Å; K210-E214 WeakPolarHBondContact O-CG 2.94Å; K210-E214 PolarHBondContact O-N 3.42Å; K210-E214 VanDerWaalsContact O-N 3.14Å
211I94Very high90.7Very high1 Ų144.9 Ų44.91%0.00524%0.243CC..Hα-helixtrans-67.1-38.5-178.7-68.9168.2000111.2I173 L197 M200 V201 L207 Y208 E213 E214 I215I173-I211 HydrophobicContact CG2-CG1 4.02Å; L197-I211 HydrophobicContact CD2-CD1 3.92Å; L197-I211 HydrophobicContact CD2-CG1 3.95Å; L197-I211 HydrophobicContact CD2-CG2 4.28Å; M200-I211 HydrophobicContact CB-CD1 3.51Å; M200-I211 HydrophobicContact CG-CD1 4.45Å; M200-I211 HydrophobicContact SD-CD1 4.17Å; V201-I211 HydrophobicContact CG2-CB 4.2Å; V201-I211 HydrophobicContact CG2-CD1 3.73Å; V201-I211 HydrophobicContact CG2-CG2 4Å; L207-I211 WeakPolarHBondContact O-CB 3.34Å; L207-I211 VanDerWaalsContact O-CG1 3.28Å; L207-I211 WeakPolarHBondContact O-CG1 3.28Å; L207-I211 PolarHBondContact O-N 3.33Å; Y208-I211 PolarHBondContact O-N 2.66Å; I211-E213 PolarHBondContact O-N 3.46Å; I211-E214 PolarHBondContact O-N 2.97Å; I211-I215 HydrophobicContact CG2-CD1 3.9Å; I211-I215 HydrophobicContact CG2-CG1 4.49Å; I211-I215 PolarHBondContact O-N 3.26Å
212A90.9Very high90.7Very high43 Ų4347.3 Ų47.336%0.35526%0.26SS..Hα-helixtrans-64.2-26.9175.600000113Y208 Q209 K210Y208-A212 WeakPolarHBondContact O-CB 3.26Å; Y208-A212 PolarHBondContact O-N 2.85Å; Q209-A212 PolarHBondContact O-N 2.91Å; K210-A212 PolarHBondContact O-N 2.96Å
213E90.5Very high91Very high158 Ų15846.5 Ų46.574%0.73826%0.255SS*.Hα-helixtrans-79-33.3173.5-70.6173-174.600112.7Q209 K210 I211Q209-E213 WeakPolarHBondContact O-CG 3.39Å; Q209-E213 PolarHBondContact O-N 2.78Å; K210-E213 PolarHBondContact O-N 2.99Å; I211-E213 PolarHBondContact O-N 3.46Å
214E92Very high91.5Very high62 Ų6241.8 Ų41.829%0.2923%0.23SC..Hα-helixtrans-84.9-23.1-176-65.6-63.6154.600114.1K174 A177 K210 I211K174-E214 WeakPolarHBondContact CE-OE1 3.46Å; K174-E214 HydrophobicContact CG-CG 4.31Å; K174-E214 WeakPolarHBondContact CG-OE1 3.34Å; K174-E214 IonicContact NZ-OE1 2.82Å; A177-E214 HydrophobicContact CB-CB 3.72Å; K210-E214 WeakPolarHBondContact O-CG 2.94Å; K210-E214 PolarHBondContact O-N 3.42Å; K210-E214 VanDerWaalsContact O-N 3.14Å; I211-E214 PolarHBondContact O-N 2.97Å
215I90.5Very high91.9Very high13 Ų1345.8 Ų45.87%0.06725%0.248CC..SBendtrans-120.5122.7-174.3-55.4178.9000110.7A177 L197 I211 L220 L238A177-I215 HydrophobicContact CB-CD1 4.16Å; A177-I215 HydrophobicContact CB-CG1 3.88Å; L197-I215 HydrophobicContact CD1-CD1 3.48Å; L197-I215 VanDerWaalsContact CD1-CD1 3.48Å; L197-I215 HydrophobicContact CD2-CD1 4.36Å; L197-I215 HydrophobicContact CG-CD1 4.42Å; I211-I215 HydrophobicContact CG2-CD1 3.9Å; I211-I215 HydrophobicContact CG2-CG1 4.49Å; I211-I215 PolarHBondContact O-N 3.26Å; I215-L220 HydrophobicContact CG2-CD1 3.9Å; I215-L220 HydrophobicContact CG2-CD2 3.98Å; I215-L220 HydrophobicContact CG2-CG 3.59Å; I215-L238 HydrophobicContact CD1-CD2 4.49Å
216T91.1Very high92.2Very high78 Ų7844.7 Ų44.748%0.47925%0.246SC..  trans-85150.1176.771.50000112G218 Q219 L220T216-G218 PolarHBondContact O-N 3.16Å; T216-Q219 PolarHBondContact O-N 3.23Å; T216-Q219 VanDerWaalsContact O-N 3.12Å; T216-Q219 VanDerWaalsContact OG1-CG 3.31Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.41Å; T216-Q219 PolarHBondContact OG1-N 2.98Å; T216-Q219 PolarHBondContact OG1-OE1 3.39Å; T216-L220 PolarHBondContact O-N 2.96Å
217V91.2Very high92.2Very high32 Ų3247 Ų4719%0.19426%0.263CS..Hα-helixtrans-51.4-41.7172.3168.50000112.2Q219 L220 I221 A257 F258 K261V217-Q219 PolarHBondContact O-N 2.93Å; V217-L220 PolarHBondContact O-N 2.87Å; V217-I221 HydrophobicContact CG1-CD1 3.66Å; V217-I221 HydrophobicContact CG1-CG1 4.42Å; V217-I221 WeakPolarHBondContact O-CB 3.2Å; V217-I221 WeakPolarHBondContact O-CG1 3.3Å; V217-I221 PolarHBondContact O-N 2.87Å; V217-A257 HydrophobicContact CG2-CB 4.18Å; V217-F258 HydrophobicContact CB-CD1 4.47Å; V217-F258 HydrophobicContact CB-CE1 4.3Å; V217-F258 HydrophobicContact CB-CZ 4.45Å; V217-F258 HydrophobicContact CG1-CB 4.41Å; V217-F258 HydrophobicContact CG1-CD1 3.53Å; V217-F258 HydrophobicContact CG1-CD2 4.43Å; V217-F258 HydrophobicContact CG1-CE1 3.77Å; V217-F258 HydrophobicContact CG1-CG 3.87Å; V217-F258 HydrophobicContact CG1-CZ 4.33Å; V217-F258 HydrophobicContact CG2-CD1 4.46Å; V217-F258 HydrophobicContact CG2-CD2 4.12Å; V217-F258 HydrophobicContact CG2-CE1 4.23Å; V217-F258 HydrophobicContact CG2-CE2 3.88Å; V217-F258 HydrophobicContact CG2-CG 4.39Å; V217-F258 HydrophobicContact CG2-CZ 3.93Å; V217-K261 HydrophobicContact CG1-CB 4.12Å; V217-K261 HydrophobicContact CG1-CG 4.01Å
218G90.1Very high92.2Very high34 Ų3449.2 Ų49.235%0.35127%0.274SS..Hα-helixtrans-64.8-37.3-17900000113.2T216 S222T216-G218 PolarHBondContact O-N 3.16Å; G218-S222 PolarHBondContact O-N 2.92Å; G218-S222 VanDerWaalsContact O-N 3.11Å
219Q90.9Very high92.1Very high52 Ų5249.2 Ų49.224%0.24328%0.275CS..Hα-helixtrans-67.1-46.2176.7-72.9157.3-35.700111.2S181 T216 V217 I221 S222 H223S181-Q219 VanDerWaalsContact CB-NE2 3.27Å; S181-Q219 PolarHBondContact OG-NE2 3.24Å; S181-Q219 VanDerWaalsContact OG-NE2 3.14Å; S181-Q219 PolarHBondContact OG-OE1 3.5Å; T216-Q219 PolarHBondContact O-N 3.23Å; T216-Q219 VanDerWaalsContact O-N 3.12Å; T216-Q219 VanDerWaalsContact OG1-CG 3.31Å; T216-Q219 WeakPolarHBondContact OG1-CG 3.41Å; T216-Q219 PolarHBondContact OG1-N 2.98Å; T216-Q219 PolarHBondContact OG1-OE1 3.39Å; V217-Q219 PolarHBondContact O-N 2.93Å; Q219-I221 VanDerWaalsContact C-N 3.32Å; Q219-I221 PolarHBondContact O-N 2.92Å; Q219-S222 PolarHBondContact O-N 2.98Å; Q219-S222 PolarHBondContact O-OG 3.14Å; Q219-H223 PolarHBondContact O-CD2 3.03Å; Q219-H223 VanDerWaalsContact O-CD2 3.23Å
220L92.2Very high92.2Very high2 Ų248 Ų481%0.0127%0.269CS..Hα-helixtrans-60.3-42.3177.1-73.6170.9000112.3V180 L194 I215 T216 V217 S222 H223 L238 I239 L242 F258V180-L220 HydrophobicContact CG1-CD2 4.39Å; L194-L220 HydrophobicContact CD2-CD2 4.25Å; I215-L220 HydrophobicContact CG2-CD1 3.9Å; I215-L220 HydrophobicContact CG2-CD2 3.98Å; I215-L220 HydrophobicContact CG2-CG 3.59Å; T216-L220 PolarHBondContact O-N 2.96Å; V217-L220 PolarHBondContact O-N 2.87Å; L220-S222 VanDerWaalsContact C-N 3.31Å; L220-S222 PolarHBondContact O-N 3.45Å; L220-H223 PolarHBondContact O-N 3.16Å; L220-L238 HydrophobicContact CD2-CD2 3.59Å; L220-L238 HydrophobicContact CD2-CG 4.15Å; L220-I239 HydrophobicContact CB-CD1 4.4Å; L220-I239 HydrophobicContact CB-CG1 4.34Å; L220-I239 HydrophobicContact CD1-CG1 4.26Å; L220-L242 HydrophobicContact CD1-CD1 3.66Å; L220-F258 HydrophobicContact CD1-CZ 4.25Å
221I92.9Very high92.2Very high7 Ų744.8 Ų44.84%0.03626%0.255CS..Hα-helixtrans-63.6-36.9178.2-74.3173.8000111.8V217 Q219 H223 L224 F258 K261 L263 I266V217-I221 HydrophobicContact CG1-CD1 3.66Å; V217-I221 HydrophobicContact CG1-CG1 4.42Å; V217-I221 WeakPolarHBondContact O-CB 3.2Å; V217-I221 WeakPolarHBondContact O-CG1 3.3Å; V217-I221 PolarHBondContact O-N 2.87Å; Q219-I221 VanDerWaalsContact C-N 3.32Å; Q219-I221 PolarHBondContact O-N 2.92Å; I221-H223 PolarHBondContact O-N 3.32Å; I221-L224 WeakPolarHBondContact O-CB 3.34Å; I221-L224 PolarHBondContact O-N 3.05Å; I221-F258 HydrophobicContact CD1-CD1 4Å; I221-F258 HydrophobicContact CG1-CD1 4.15Å; I221-F258 HydrophobicContact CG1-CE1 4.36Å; I221-K261 HydrophobicContact CD1-CB 3.37Å; I221-K261 HydrophobicContact CD1-CG 4.46Å; I221-L263 HydrophobicContact CD1-CB 4.15Å; I221-L263 HydrophobicContact CG1-CD1 4.06Å; I221-I266 HydrophobicContact CG2-CD1 3.16Å; I221-I266 HydrophobicContact CG2-CG1 4.44Å; I221-I266 HydrophobicContact CG2-CG2 4.43Å
222S94Very high92.3Very high50 Ų5045.1 Ų45.135%0.3526%0.257SS..Hα-helixtrans-60-32.1179.376.60000112.7G218 Q219 L220 L224 Q225G218-S222 PolarHBondContact O-N 2.92Å; G218-S222 VanDerWaalsContact O-N 3.11Å; Q219-S222 PolarHBondContact O-N 2.98Å; Q219-S222 PolarHBondContact O-OG 3.14Å; L220-S222 VanDerWaalsContact C-N 3.31Å; L220-S222 PolarHBondContact O-N 3.45Å; S222-L224 PolarHBondContact O-N 3.04Å; S222-Q225 WeakPolarHBondContact O-CB 3.26Å; S222-Q225 PolarHBondContact O-N 2.95Å; S222-Q225 VanDerWaalsContact O-N 3.14Å
223H94.2Very high92.5Very high14 Ų1443.8 Ų43.87%0.06524%0.244CC..THydrogen-bonded Turntrans-71.3-15.2176.4-63-48.5000113.7V180 Q219 L220 I221 Q225 V226 I231 A235V180-H223 PolarHBondContact O-CE1 3.47Å; V180-H223 PolarHBondContact O-NE2 3.39Å; Q219-H223 PolarHBondContact O-CD2 3.03Å; Q219-H223 VanDerWaalsContact O-CD2 3.23Å; L220-H223 PolarHBondContact O-N 3.16Å; I221-H223 PolarHBondContact O-N 3.32Å; H223-Q225 VanDerWaalsContact C-N 3.32Å; H223-V226 VanDerWaalsContact O-CG2 3.25Å; H223-V226 WeakPolarHBondContact O-CG2 3.32Å; H223-I231 HydrophobicContact CB-CG2 4.14Å; H223-A235 HydrophobicContact CB-CB 3.96Å
224L94.9Very high92.7Very high0 Ų039.8 Ų39.80%022%0.223CC..THydrogen-bonded Turntrans-79.7-18.9172.8-57.4178.5000112.5I221 S222 V226 Q232 A235 I236 I239 L263 I266 I267 H270I221-L224 WeakPolarHBondContact O-CB 3.34Å; I221-L224 PolarHBondContact O-N 3.05Å; S222-L224 PolarHBondContact O-N 3.04Å; L224-V226 VanDerWaalsContact C-N 3.32Å; L224-Q232 PolarHBondContact O-NE2 3.33Å; L224-A235 HydrophobicContact CD2-CB 3.69Å; L224-A235 HydrophobicContact CG-CB 4.48Å; L224-I236 HydrophobicContact CD2-CD1 4.16Å; L224-I236 HydrophobicContact CD2-CG1 3.46Å; L224-I236 VanDerWaalsContact CD2-CG1 3.46Å; L224-I239 HydrophobicContact CD1-CD1 4.19Å; L224-L263 HydrophobicContact CD1-CD1 3.46Å; L224-L263 VanDerWaalsContact CD1-CD1 3.46Å; L224-I266 HydrophobicContact CB-CG2 3.76Å; L224-I266 HydrophobicContact CD1-CG2 4.41Å; L224-I267 HydrophobicContact CD1-CG1 4.16Å; L224-H270 VanDerWaalsContact O-CB 3.31Å; L224-H270 WeakPolarHBondContact O-CB 3.42Å
225Q93.8Very high92.9Very high96 Ų9636.9 Ų36.945%0.44921%0.209SC..SBendtrans-86.1-5.9-174.9-58.3-176.7-96.500113.2S222 H223 I266 H270S222-Q225 WeakPolarHBondContact O-CB 3.26Å; S222-Q225 PolarHBondContact O-N 2.95Å; S222-Q225 VanDerWaalsContact O-N 3.14Å; H223-Q225 VanDerWaalsContact C-N 3.32Å; Q225-I266 HydrophobicContact CG-CG2 3.83Å; Q225-H270 PolarHBondContact O-ND1 3.04Å
226V92.4Very high93.2Very high53 Ų5336.3 Ų36.332%0.32121%0.206SC..SBendtrans-74.4160.6174.2-51.70000111.3H223 L224 N228 I231 Q232H223-V226 VanDerWaalsContact O-CG2 3.25Å; H223-V226 WeakPolarHBondContact O-CG2 3.32Å; L224-V226 VanDerWaalsContact C-N 3.32Å; V226-N228 HydrophobicContact CG2-CB 4.36Å; V226-I231 HydrophobicContact CG2-CB 3.91Å; V226-I231 HydrophobicContact CG2-CG2 3.83Å; V226-Q232 HydrophobicContact CG2-CG 4.29Å; V226-Q232 PolarHBondContact O-NE2 3.36Å
227S90.7Very high93.5Very high98 Ų9832.9 Ų32.969%0.68519%0.186SC*.SBendtrans-84.3-11.3178.258.40000114.2Q229S227-Q229 PolarHBondContact O-N 2.75Å
228N92.1Very high93.7Very high46 Ų4631.3 Ų31.325%0.24618%0.177CC..  trans-81109.1179.6-171.5-26.2000110.6V187 V226 E230 I231 Q232V187-N228 VanDerWaalsContact CG1-ND2 3.27Å; V187-N228 WeakPolarHBondContact CG1-ND2 3.31Å; V226-N228 HydrophobicContact CG2-CB 4.36Å; N228-E230 VanDerWaalsContact C-N 3.28Å; N228-E230 PolarHBondContact O-N 2.87Å; N228-E230 WeakPolarHBondContact OD1-CB 3.33Å; N228-E230 PolarHBondContact OD1-N 3.24Å; N228-I231 HydrophobicContact CB-CB 4.34Å; N228-I231 HydrophobicContact CB-CG1 4.04Å; N228-I231 PolarHBondContact O-N 2.99Å; N228-Q232 WeakPolarHBondContact O-CG 3.46Å; N228-Q232 PolarHBondContact O-N 3.36Å; N228-Q232 VanDerWaalsContact O-N 3.14Å
229Q92.1Very high94Very high13 Ų1329.8 Ų29.86%0.06116%0.16CC..Hα-helixtrans-62.3-31.4-178.6-170.6176.776.400113.5S227 Q232 T233 P277 M282S227-Q229 PolarHBondContact O-N 2.75Å; Q229-Q232 PolarHBondContact O-N 3.47Å; Q229-T233 WeakPolarHBondContact O-CB 3.47Å; Q229-T233 PolarHBondContact O-N 3.37Å; Q229-T233 PolarHBondContact O-OG1 3.22Å; Q229-P277 PolarHBondContact NE2-O 3.29Å; Q229-M282 HydrophobicContact CG-CB 4.47Å; Q229-M282 HydrophobicContact CG-CE 4.43Å
230E91.6Very high94.2Very high84 Ų8427.6 Ų27.639%0.39315%0.15SC..Hα-helixtrans-65.7-43.3177-68.2178.7-158.200111Q191 N228 Q232 T233 Y234Q191-E230 PolarHBondContact NE2-OE2 3.11Å; N228-E230 VanDerWaalsContact C-N 3.28Å; N228-E230 PolarHBondContact O-N 2.87Å; N228-E230 WeakPolarHBondContact OD1-CB 3.33Å; N228-E230 PolarHBondContact OD1-N 3.24Å; E230-Q232 VanDerWaalsContact C-N 3.32Å; E230-Q232 PolarHBondContact O-N 3.44Å; E230-T233 WeakPolarHBondContact O-CB 3.26Å; E230-T233 PolarHBondContact O-N 3.15Å; E230-T233 VanDerWaalsContact O-N 3.14Å; E230-Y234 WeakPolarHBondContact O-CD2 3.38Å; E230-Y234 PolarHBondContact O-N 3.44Å
231I93.7Very high94.3Very high4 Ų427.7 Ų27.72%0.02115%0.151CC..Hα-helixtrans-61.1-44.2175-61.3-60000110.6V187 L190 Q191 L194 H223 V226 N228 T233 Y234 A235V187-I231 HydrophobicContact CG1-CD1 3.99Å; V187-I231 HydrophobicContact CG1-CG1 4.04Å; L190-I231 HydrophobicContact CB-CD1 4.27Å; L190-I231 HydrophobicContact CD2-CD1 4.11Å; L190-I231 HydrophobicContact CD2-CG2 3.87Å; L190-I231 HydrophobicContact CG-CD1 4.11Å; Q191-I231 HydrophobicContact CB-CD1 3.83Å; L194-I231 HydrophobicContact CD1-CG2 4.35Å; H223-I231 HydrophobicContact CB-CG2 4.14Å; V226-I231 HydrophobicContact CG2-CB 3.91Å; V226-I231 HydrophobicContact CG2-CG2 3.83Å; N228-I231 HydrophobicContact CB-CB 4.34Å; N228-I231 HydrophobicContact CB-CG1 4.04Å; N228-I231 PolarHBondContact O-N 2.99Å; I231-T233 VanDerWaalsContact C-N 3.29Å; I231-T233 PolarHBondContact O-N 3.35Å; I231-Y234 PolarHBondContact O-N 3.1Å; I231-A235 VanDerWaalsContact O-CB 3.27Å; I231-A235 WeakPolarHBondContact O-CB 3.38Å; I231-A235 PolarHBondContact O-N 3.25Å
232Q95.7Very high94.4Very high9 Ų927.9 Ų27.94%0.04215%0.152CC..Hα-helixtrans-58.1-44175-63.3176-41.500110.9L224 V226 N228 Q229 E230 A235 I236 H270 M282L224-Q232 PolarHBondContact O-NE2 3.33Å; V226-Q232 HydrophobicContact CG2-CG 4.29Å; V226-Q232 PolarHBondContact O-NE2 3.36Å; N228-Q232 WeakPolarHBondContact O-CG 3.46Å; N228-Q232 PolarHBondContact O-N 3.36Å; N228-Q232 VanDerWaalsContact O-N 3.14Å; Q229-Q232 PolarHBondContact O-N 3.47Å; E230-Q232 VanDerWaalsContact C-N 3.32Å; E230-Q232 PolarHBondContact O-N 3.44Å; Q232-A235 PolarHBondContact O-N 3.38Å; Q232-I236 WeakPolarHBondContact O-CG1 3.42Å; Q232-I236 PolarHBondContact O-N 3.25Å; Q232-H270 PolarHBondContact NE2-O 3.44Å; Q232-M282 HydrophobicContact CB-CE 3.4Å; Q232-M282 VanDerWaalsContact CB-CE 3.4Å
233T95.6Very high94.2Very high15 Ų1526 Ų269%0.09214%0.138CC..Hα-helixtrans-60.3-52.4179.5-63.10000111.2Q229 E230 I231 A235 I236 A237 E281 M282 Q285Q229-T233 WeakPolarHBondContact O-CB 3.47Å; Q229-T233 PolarHBondContact O-N 3.37Å; Q229-T233 PolarHBondContact O-OG1 3.22Å; E230-T233 WeakPolarHBondContact O-CB 3.26Å; E230-T233 PolarHBondContact O-N 3.15Å; E230-T233 VanDerWaalsContact O-N 3.14Å; I231-T233 VanDerWaalsContact C-N 3.29Å; I231-T233 PolarHBondContact O-N 3.35Å; T233-A235 VanDerWaalsContact C-N 3.3Å; T233-A235 PolarHBondContact O-N 2.92Å; T233-I236 PolarHBondContact O-N 3.24Å; T233-A237 WeakPolarHBondContact O-CB 3.47Å; T233-A237 PolarHBondContact O-N 2.58Å; T233-E281 HydrophobicContact CG2-CB 4.27Å; T233-E281 HydrophobicContact CG2-CG 3.45Å; T233-E281 VanDerWaalsContact CG2-CG 3.45Å; T233-M282 WeakPolarHBondContact OG1-CE 3.46Å; T233-Q285 HydrophobicContact CG2-CG 4.07Å
234Y95.1Very high93.9Very high74 Ų7428.8 Ų28.829%0.2915%0.153SC..Hα-helixtrans-66.1-32.5-179.9-78.9-76.2000112.6Q191 A195 E230 I231 A237 L238Q191-Y234 HydrophobicContact CG-CD2 3.56Å; Q191-Y234 HydrophobicContact CG-CE2 3.53Å; Q191-Y234 HydrophobicContact CG-CG 4.39Å; A195-Y234 HydrophobicContact CB-CD1 3.8Å; A195-Y234 HydrophobicContact CB-CE1 3.59Å; E230-Y234 WeakPolarHBondContact O-CD2 3.38Å; E230-Y234 PolarHBondContact O-N 3.44Å; I231-Y234 PolarHBondContact O-N 3.1Å; Y234-A237 PolarHBondContact O-N 2.92Å; Y234-L238 WeakPolarHBondContact O-CB 3.47Å; Y234-L238 PolarHBondContact O-N 2.58Å
235A96.6Very high93.6Very high0 Ų031.7 Ų31.70%017%0.166CC..Hα-helixtrans-66.7-44.1174.100000111.6L194 H223 L224 I231 Q232 T233 L238 I239L194-A235 HydrophobicContact CD1-CB 4.39Å; H223-A235 HydrophobicContact CB-CB 3.96Å; L224-A235 HydrophobicContact CD2-CB 3.69Å; L224-A235 HydrophobicContact CG-CB 4.48Å; I231-A235 VanDerWaalsContact O-CB 3.27Å; I231-A235 WeakPolarHBondContact O-CB 3.38Å; I231-A235 PolarHBondContact O-N 3.25Å; Q232-A235 PolarHBondContact O-N 3.38Å; T233-A235 VanDerWaalsContact C-N 3.3Å; T233-A235 PolarHBondContact O-N 2.92Å; A235-L238 PolarHBondContact O-N 3.19Å; A235-I239 VanDerWaalsContact O-CG1 3.29Å; A235-I239 WeakPolarHBondContact O-CG1 3.46Å; A235-I239 PolarHBondContact O-N 3.16Å
236I97.2Very high93.3Very high1 Ų127.2 Ų27.21%0.00515%0.145CC..Hα-helixtrans-66.6-40.4174.4-63-176.8000110.9L224 Q232 T233 L238 I239 N240 I267 V271 M282 Q285 L286 L289L224-I236 HydrophobicContact CD2-CD1 4.16Å; L224-I236 HydrophobicContact CD2-CG1 3.46Å; L224-I236 VanDerWaalsContact CD2-CG1 3.46Å; Q232-I236 WeakPolarHBondContact O-CG1 3.42Å; Q232-I236 PolarHBondContact O-N 3.25Å; T233-I236 PolarHBondContact O-N 3.24Å; I236-L238 VanDerWaalsContact C-N 3.32Å; I236-L238 PolarHBondContact O-N 2.95Å; I236-I239 CarbonylContact O-C 3.42Å; I236-I239 WeakPolarHBondContact O-CB 3.35Å; I236-I239 PolarHBondContact O-N 3.3Å; I236-I239 VanDerWaalsContact O-N 3.12Å; I236-N240 WeakPolarHBondContact O-CB 3.24Å; I236-N240 PolarHBondContact O-N 3.2Å; I236-I267 HydrophobicContact CD1-CD1 4.46Å; I236-I267 HydrophobicContact CD1-CG1 4.41Å; I236-V271 HydrophobicContact CD1-CG2 4.46Å; I236-M282 HydrophobicContact CD1-CE 4.12Å; I236-M282 HydrophobicContact CD1-SD 3.74Å; I236-Q285 HydrophobicContact CB-CB 4.3Å; I236-Q285 HydrophobicContact CG2-CB 3.82Å; I236-L286 HydrophobicContact CD1-CD2 3.99Å; I236-L289 HydrophobicContact CG2-CD2 4.36Å
237A95.8Very high93Very high6 Ų626.6 Ų26.65%0.0514%0.142CC..Hα-helixtrans-59.2-42.8177.100000111.8E198 T233 Y234 N240 A241 Q285E198-A237 HydrophobicContact CG-CB 4.43Å; E198-A237 WeakPolarHBondContact OE2-CB 3.42Å; T233-A237 WeakPolarHBondContact O-CB 3.47Å; T233-A237 PolarHBondContact O-N 2.58Å; Y234-A237 PolarHBondContact O-N 2.92Å; A237-N240 WeakPolarHBondContact O-CB 3.45Å; A237-N240 PolarHBondContact O-N 3.41Å; A237-A241 WeakPolarHBondContact O-CB 3.24Å; A237-A241 PolarHBondContact O-N 2.81Å; A237-Q285 HydrophobicContact CB-CG 4.28Å
238L96.6Very high92.5Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-64.6-41.5173.4179.954.4000112.3L194 L197 E198 V201 I215 L220 Y234 A235 I236 N240 A241 L242L194-L238 HydrophobicContact CD2-CD2 3.76Å; L197-L238 HydrophobicContact CB-CD1 4.19Å; L197-L238 HydrophobicContact CB-CD2 4.14Å; L197-L238 HydrophobicContact CD1-CD2 4.41Å; E198-L238 HydrophobicContact CB-CB 4.22Å; E198-L238 HydrophobicContact CB-CD1 4.02Å; V201-L238 HydrophobicContact CG2-CD1 4.22Å; I215-L238 HydrophobicContact CD1-CD2 4.49Å; L220-L238 HydrophobicContact CD2-CD2 3.59Å; L220-L238 HydrophobicContact CD2-CG 4.15Å; Y234-L238 WeakPolarHBondContact O-CB 3.47Å; Y234-L238 PolarHBondContact O-N 2.58Å; A235-L238 PolarHBondContact O-N 3.19Å; I236-L238 VanDerWaalsContact C-N 3.32Å; I236-L238 PolarHBondContact O-N 2.95Å; L238-N240 VanDerWaalsContact C-N 3.34Å; L238-N240 PolarHBondContact O-N 3.44Å; L238-A241 PolarHBondContact O-N 3.2Å; L238-L242 HydrophobicContact CD1-CG 4.36Å; L238-L242 HydrophobicContact CG-CD1 4.45Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.32Å; L238-L242 PolarHBondContact O-N 3.47Å
239I96.6Very high92.2Very high1 Ų133 Ų331%0.00516%0.164CC..Hα-helixtrans-59.8-45.4173.7-68.4166.6000110.6L220 L224 A235 I236 A241 L242 F243 F258 L263 L289L220-I239 HydrophobicContact CB-CD1 4.4Å; L220-I239 HydrophobicContact CB-CG1 4.34Å; L220-I239 HydrophobicContact CD1-CG1 4.26Å; L224-I239 HydrophobicContact CD1-CD1 4.19Å; A235-I239 VanDerWaalsContact O-CG1 3.29Å; A235-I239 WeakPolarHBondContact O-CG1 3.46Å; A235-I239 PolarHBondContact O-N 3.16Å; I236-I239 CarbonylContact O-C 3.42Å; I236-I239 WeakPolarHBondContact O-CB 3.35Å; I236-I239 PolarHBondContact O-N 3.3Å; I236-I239 VanDerWaalsContact O-N 3.12Å; I239-A241 PolarHBondContact O-N 2.89Å; I239-L242 PolarHBondContact O-N 2.88Å; I239-F243 HydrophobicContact CG2-CD2 3.76Å; I239-F243 HydrophobicContact CG2-CE2 3.62Å; I239-F243 VanDerWaalsContact O-CD2 3.3Å; I239-F243 WeakPolarHBondContact O-CD2 3.18Å; I239-F243 PolarHBondContact O-N 2.96Å; I239-F258 HydrophobicContact CD1-CE1 3.87Å; I239-F258 HydrophobicContact CG1-CE1 3.79Å; I239-F258 HydrophobicContact CG1-CZ 3.94Å; I239-F258 HydrophobicContact CG2-CE1 4.15Å; I239-F258 HydrophobicContact CG2-CE2 4.45Å; I239-F258 HydrophobicContact CG2-CZ 4.08Å; I239-L263 HydrophobicContact CD1-CD1 4.08Å; I239-L289 HydrophobicContact CG2-CD1 4.48Å
240N95.6Very high92Very high6 Ų638.2 Ų38.23%0.03219%0.186CC..Hα-helixtrans-60.6-44.8176.5-74.2-20.4000111.5I236 A237 L238 L242 F243 L244 Q285 V288 L289 L292I236-N240 WeakPolarHBondContact O-CB 3.24Å; I236-N240 PolarHBondContact O-N 3.2Å; A237-N240 WeakPolarHBondContact O-CB 3.45Å; A237-N240 PolarHBondContact O-N 3.41Å; L238-N240 VanDerWaalsContact C-N 3.34Å; L238-N240 PolarHBondContact O-N 3.44Å; N240-L242 VanDerWaalsContact C-N 3.33Å; N240-L242 PolarHBondContact O-N 3.33Å; N240-F243 PolarHBondContact O-N 3Å; N240-L244 WeakPolarHBondContact O-CB 3.38Å; N240-L244 PolarHBondContact O-N 2.91Å; N240-Q285 PolarHBondContact ND2-O 3.1Å; N240-Q285 PolarHBondContact ND2-OE1 3.46Å; N240-V288 HydrophobicContact CB-CG1 3.98Å; N240-L289 VanDerWaalsContact OD1-CA 3.28Å; N240-L289 WeakPolarHBondContact OD1-CA 3.35Å; N240-L289 VanDerWaalsContact OD1-CB 3.29Å; N240-L289 WeakPolarHBondContact OD1-CB 3.22Å; N240-L289 WeakPolarHBondContact OD1-CD1 3.25Å; N240-L289 PolarHBondContact OD1-N 2.97Å; N240-L292 HydrophobicContact CB-CD1 4.1Å
241A93.6Very high91.9Very high4 Ų437 Ų373%0.03318%0.178CC..Hα-helixtrans-61.3-41.1176.900000112.1E198 V201 L202 A237 L238 I239 L244 K245E198-A241 HydrophobicContact CG-CB 3.77Å; V201-A241 HydrophobicContact CB-CB 4.29Å; V201-A241 HydrophobicContact CG1-CB 3.85Å; V201-A241 WeakPolarHBondContact CG1-O 3.37Å; L202-A241 HydrophobicContact CD1-CB 4.5Å; L202-A241 HydrophobicContact CD2-CB 3.77Å; L202-A241 HydrophobicContact CG-CB 3.88Å; A237-A241 WeakPolarHBondContact O-CB 3.24Å; A237-A241 PolarHBondContact O-N 2.81Å; L238-A241 PolarHBondContact O-N 3.2Å; I239-A241 PolarHBondContact O-N 2.89Å; A241-L244 PolarHBondContact O-N 3.33Å; A241-K245 WeakPolarHBondContact O-CB 2.94Å; A241-K245 PolarHBondContact O-N 2.99Å
242L93.9Very high91.7Very high11 Ų1140.4 Ų40.46%0.05819%0.194CC..Hα-helixtrans-62.2-46175.2-70.3169.6000111.4V201 Y208 L220 L238 I239 N240 L244 K245 A246 M254V201-L242 HydrophobicContact CG1-CD2 4.46Å; V201-L242 HydrophobicContact CG2-CD2 4.07Å; Y208-L242 HydrophobicContact CD2-CD2 3.92Å; Y208-L242 HydrophobicContact CE2-CD2 3.86Å; L220-L242 HydrophobicContact CD1-CD1 3.66Å; L238-L242 HydrophobicContact CD1-CG 4.36Å; L238-L242 HydrophobicContact CG-CD1 4.45Å; L238-L242 VanDerWaalsContact O-CG 3.28Å; L238-L242 WeakPolarHBondContact O-CG 3.32Å; L238-L242 PolarHBondContact O-N 3.47Å; I239-L242 PolarHBondContact O-N 2.88Å; N240-L242 VanDerWaalsContact C-N 3.33Å; N240-L242 PolarHBondContact O-N 3.33Å; L242-L244 PolarHBondContact O-N 3.22Å; L242-K245 PolarHBondContact O-N 3.47Å; L242-A246 WeakPolarHBondContact O-CB 3.41Å; L242-A246 PolarHBondContact O-N 3.22Å; L242-M254 HydrophobicContact CB-CE 4.44Å; L242-M254 HydrophobicContact CB-SD 4.1Å
243F90.9Very high91.5Very high10 Ų1045.2 Ų45.24%0.04422%0.22CC..Hα-helixtrans-62.1-42.6175.7-85.7-63.2000112.8I239 N240 K245 A246 R251 M254 A255 F258 L289 L292I239-F243 HydrophobicContact CG2-CD2 3.76Å; I239-F243 HydrophobicContact CG2-CE2 3.62Å; I239-F243 VanDerWaalsContact O-CD2 3.3Å; I239-F243 WeakPolarHBondContact O-CD2 3.18Å; I239-F243 PolarHBondContact O-N 2.96Å; N240-F243 PolarHBondContact O-N 3Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.24Å; F243-A246 PolarHBondContact O-N 3.4Å; F243-R251 HydrophobicContact CD1-CG 4.15Å; F243-R251 PolarHBondContact O-NE 3.1Å; F243-M254 HydrophobicContact CD1-CG 4.49Å; F243-M254 HydrophobicContact CD1-SD 4.05Å; F243-M254 HydrophobicContact CE1-CB 4.37Å; F243-M254 HydrophobicContact CE1-CG 4.05Å; F243-M254 HydrophobicContact CE1-SD 4.19Å; F243-M254 HydrophobicContact CG-SD 4.4Å; F243-M254 HydrophobicContact CZ-CG 4.4Å; F243-A255 HydrophobicContact CE1-CB 3.83Å; F243-A255 HydrophobicContact CZ-CB 4.24Å; F243-F258 HydrophobicContact CE2-CD2 4.02Å; F243-F258 HydrophobicContact CE2-CE2 4.3Å; F243-F258 AromaticContact CZ-CD2 3.76Å; F243-F258 HydrophobicContact CZ-CD2 3.76Å; F243-F258 HydrophobicContact CZ-CE2 4.35Å; F243-F258 HydrophobicContact CZ-CG 4.41Å; F243-L289 HydrophobicContact CD2-CD1 4.43Å; F243-L289 HydrophobicContact CE2-CD1 4.37Å; F243-L292 HydrophobicContact CB-CD1 3.92Å
244L88.4Confident91.3Very high74 Ų7445.9 Ų45.939%0.38722%0.222SC..Hα-helixtrans-66.4-34.1-177.4-169.868.6000112.3L202 N240 A241 L242 L292L202-L244 HydrophobicContact CD2-CD2 4.07Å; N240-L244 WeakPolarHBondContact O-CB 3.38Å; N240-L244 PolarHBondContact O-N 2.91Å; A241-L244 PolarHBondContact O-N 3.33Å; L242-L244 PolarHBondContact O-N 3.22Å; L244-L292 HydrophobicContact CD1-CD2 4.06Å
245K87Confident91.2Very high61 Ų6143 Ų4327%0.26521%0.213SC..Hα-helixtrans-95.9-9.4-179.8-71.7-73.3-169.6173.40114.4V201 L202 Q205 Y208 A241 L242 F243 P247V201-K245 HydrophobicContact CG1-CB 3.99Å; V201-K245 HydrophobicContact CG1-CG 3.91Å; V201-K245 WeakPolarHBondContact O-CE 3.39Å; V201-K245 WeakPolarHBondContact O-CG 3.3Å; L202-K245 WeakPolarHBondContact O-CE 3.41Å; L202-K245 PolarHBondContact O-NZ 2.97Å; Q205-K245 PolarHBondContact NE2-O 2.57Å; Y208-K245 HydrophobicContact CD2-CB 3.82Å; Y208-K245 HydrophobicContact CE2-CB 4.35Å; Y208-K245 HydrophobicContact CG-CB 4.03Å; A241-K245 WeakPolarHBondContact O-CB 2.94Å; A241-K245 PolarHBondContact O-N 2.99Å; L242-K245 PolarHBondContact O-N 3.47Å; F243-K245 VanDerWaalsContact C-N 3.32Å; F243-K245 PolarHBondContact O-N 3.24Å; K245-P247 WeakPolarHBondContact O-CD 3.36Å
246A89.1Confident91Very high2 Ų246.1 Ų46.12%0.01723%0.23CC..SBendtrans-60.1128.2174.100000110.3Y208 L242 F243 R251 M254Y208-A246 WeakPolarHBondContact OH-CA 3.48Å; L242-A246 WeakPolarHBondContact O-CB 3.41Å; L242-A246 PolarHBondContact O-N 3.22Å; F243-A246 PolarHBondContact O-N 3.4Å; A246-R251 HydrophobicContact CB-CB 4.26Å; A246-R251 HydrophobicContact CB-CG 4.3Å; A246-R251 PolarHBondContact O-NH2 2.98Å; A246-R251 VanDerWaalsContact O-NH2 3.1Å; A246-M254 HydrophobicContact CB-CE 3.88Å; A246-M254 HydrophobicContact CB-SD 4.32Å
247P84.4Confident90.9Very high40 Ų4047.7 Ų47.726%0.2624%0.243SC..  trans-50.9144.6166-28.437.9000111K245 D249 K250 R251K245-P247 WeakPolarHBondContact O-CD 3.36Å; P247-D249 VanDerWaalsContact C-N 3.25Å; P247-D249 WeakPolarHBondContact CB-OD1 3.35Å; P247-D249 PolarHBondContact O-N 2.87Å; P247-K250 PolarHBondContact O-N 3.47Å; P247-R251 PolarHBondContact O-N 2.93Å
248E81.2Confident90.8Very high155 Ų15547.6 Ų47.672%0.72424%0.242SC*.Hα-helixtrans-54.9-42.1-176.3-69.6178.4175.500112K250 R251E248-K250 PolarHBondContact O-N 3.33Å; E248-R251 PolarHBondContact O-N 3.44Å
249D85Confident90.6Very high124 Ų12450 Ų5066%0.66326%0.262SS*.Hα-helixtrans-64.4-19.7178.865.7-40.3000114.4P247P247-D249 VanDerWaalsContact C-N 3.25Å; P247-D249 WeakPolarHBondContact CB-OD1 3.35Å; P247-D249 PolarHBondContact O-N 2.87Å
250K88.8Confident90.5Very high121 Ų12157.2 Ų57.253%0.52630%0.295SS..Hα-helixtrans-108.6-12.2-179.4-65.3-172.3178.6-175.50113.9P247 E248 Q252 D253 M254P247-K250 PolarHBondContact O-N 3.47Å; E248-K250 PolarHBondContact O-N 3.33Å; K250-Q252 VanDerWaalsContact C-N 3.35Å; K250-Q252 PolarHBondContact O-N 2.86Å; K250-D253 PolarHBondContact O-N 3.45Å; K250-M254 PolarHBondContact O-N 3.4Å
251R88.8Confident90.4Very high60 Ų6062.9 Ų62.923%0.22632%0.32CS..Hα-helixtrans-65.2-39.7-172.7-164.5-178.8-66149.38.2111.6F243 A246 P247 E248 M254 A255 L296F243-R251 HydrophobicContact CD1-CG 4.15Å; F243-R251 PolarHBondContact O-NE 3.1Å; A246-R251 HydrophobicContact CB-CB 4.26Å; A246-R251 HydrophobicContact CB-CG 4.3Å; A246-R251 PolarHBondContact O-NH2 2.98Å; A246-R251 VanDerWaalsContact O-NH2 3.1Å; P247-R251 PolarHBondContact O-N 2.93Å; E248-R251 PolarHBondContact O-N 3.44Å; R251-M254 PolarHBondContact O-N 3.16Å; R251-A255 PolarHBondContact O-N 3.29Å; R251-L296 HydrophobicContact CG-CD2 3.71Å
252Q90.3Very high90.5Very high74 Ų7468.5 Ų68.535%0.34635%0.345SS..Hα-helixtrans-66.4-42.2177.8-170.659.15100112.2K250 M254 A255 N256K250-Q252 VanDerWaalsContact C-N 3.35Å; K250-Q252 PolarHBondContact O-N 2.86Å; Q252-M254 VanDerWaalsContact C-N 3.34Å; Q252-M254 PolarHBondContact O-N 3.43Å; Q252-A255 WeakPolarHBondContact O-CB 3.34Å; Q252-A255 PolarHBondContact O-N 3.28Å; Q252-N256 PolarHBondContact NE2-OD1 3.32Å; Q252-N256 VanDerWaalsContact NE2-OD1 3.12Å; Q252-N256 WeakPolarHBondContact O-CB 3.48Å; Q252-N256 PolarHBondContact O-N 2.93Å; Q252-N256 PolarHBondContact O-ND2 3.24Å; Q252-N256 PolarHBondContact O-OD1 2.86Å
253D91.2Very high90.6Very high110 Ų11068.7 Ų68.759%0.58835%0.346SS*.Hα-helixtrans-63.7-40.8176.9-73.4-21.6000111.9K250 N256 A257K250-D253 PolarHBondContact O-N 3.45Å; D253-N256 PolarHBondContact O-N 2.89Å; D253-A257 PolarHBondContact O-N 3.39Å
254M92.3Very high90.8Very high30 Ų3070.5 Ų70.515%0.14835%0.353CS..Hα-helixtrans-60.9-47.2173.3-176.1-176.9-65.700111.2Y208 L242 F243 A246 K250 R251 Q252 N256 A257 F258Y208-M254 HydrophobicContact CE2-CE 4.23Å; Y208-M254 WeakPolarHBondContact OH-CE 3.28Å; L242-M254 HydrophobicContact CB-CE 4.44Å; L242-M254 HydrophobicContact CB-SD 4.1Å; F243-M254 HydrophobicContact CD1-CG 4.49Å; F243-M254 HydrophobicContact CD1-SD 4.05Å; F243-M254 HydrophobicContact CE1-CB 4.37Å; F243-M254 HydrophobicContact CE1-CG 4.05Å; F243-M254 HydrophobicContact CE1-SD 4.19Å; F243-M254 HydrophobicContact CG-SD 4.4Å; F243-M254 HydrophobicContact CZ-CG 4.4Å; A246-M254 HydrophobicContact CB-CE 3.88Å; A246-M254 HydrophobicContact CB-SD 4.32Å; K250-M254 PolarHBondContact O-N 3.4Å; R251-M254 PolarHBondContact O-N 3.16Å; Q252-M254 VanDerWaalsContact C-N 3.34Å; Q252-M254 PolarHBondContact O-N 3.43Å; M254-N256 VanDerWaalsContact C-N 3.31Å; M254-N256 PolarHBondContact O-N 3.43Å; M254-A257 PolarHBondContact O-N 3.42Å; M254-A257 VanDerWaalsContact O-N 3.17Å; M254-F258 HydrophobicContact CG-CD2 3.91Å; M254-F258 HydrophobicContact CG-CE2 3.78Å; M254-F258 WeakPolarHBondContact O-CD2 3.22Å; M254-F258 PolarHBondContact O-N 3.49Å; M254-F258 VanDerWaalsContact O-N 3.07Å; M254-F258 HydrophobicContact SD-CE2 4.28Å
255A92.4Very high91.2Very high12 Ų1268.8 Ų68.810%0.09935%0.347CS..Hα-helixtrans-58.2-44.417700000111.9F243 R251 Q252 A257 F258 A259 L296F243-A255 HydrophobicContact CE1-CB 3.83Å; F243-A255 HydrophobicContact CZ-CB 4.24Å; R251-A255 PolarHBondContact O-N 3.29Å; Q252-A255 WeakPolarHBondContact O-CB 3.34Å; Q252-A255 PolarHBondContact O-N 3.28Å; A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 3.16Å; A255-F258 PolarHBondContact O-N 3.17Å; A255-A259 WeakPolarHBondContact O-CB 3.33Å; A255-A259 PolarHBondContact O-N 3.23Å; A255-L296 HydrophobicContact CB-CD1 3.38Å; A255-L296 HydrophobicContact CB-CD2 4.27Å; A255-L296 HydrophobicContact CB-CG 4.48Å
256N92.8Very high91.7Very high66 Ų6666.8 Ų66.835%0.35334%0.339SS..Hα-helixtrans-60.4-42.4176.7-66.4-22.5000111.4Q252 D253 M254 A259 Q260Q252-N256 PolarHBondContact NE2-OD1 3.32Å; Q252-N256 VanDerWaalsContact NE2-OD1 3.12Å; Q252-N256 WeakPolarHBondContact O-CB 3.48Å; Q252-N256 PolarHBondContact O-N 2.93Å; Q252-N256 PolarHBondContact O-ND2 3.24Å; Q252-N256 PolarHBondContact O-OD1 2.86Å; D253-N256 PolarHBondContact O-N 2.89Å; M254-N256 VanDerWaalsContact C-N 3.31Å; M254-N256 PolarHBondContact O-N 3.43Å; N256-A259 PolarHBondContact O-N 3.49Å; N256-Q260 WeakPolarHBondContact O-CB 3.32Å; N256-Q260 WeakPolarHBondContact O-CG 3.47Å; N256-Q260 PolarHBondContact O-N 3.33Å
257A94.1Very high92.1Very high35 Ų3566.8 Ų66.829%0.28934%0.338SS..Hα-helixtrans-63.4-42.3177.900000112.7V217 D253 M254 A255 K261V217-A257 HydrophobicContact CG2-CB 4.18Å; D253-A257 PolarHBondContact O-N 3.39Å; M254-A257 PolarHBondContact O-N 3.42Å; M254-A257 VanDerWaalsContact O-N 3.17Å; A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 3.16Å; A257-K261 PolarHBondContact O-N 2.7Å
258F93.9Very high92.7Very high4 Ų465.6 Ų65.62%0.01833%0.33CS..Hα-helixtrans-66.1-42.4174.5-83.8-77.1000112.4V217 L220 I221 I239 F243 M254 A255 K261 H262 L263V217-F258 HydrophobicContact CB-CD1 4.47Å; V217-F258 HydrophobicContact CB-CE1 4.3Å; V217-F258 HydrophobicContact CB-CZ 4.45Å; V217-F258 HydrophobicContact CG1-CB 4.41Å; V217-F258 HydrophobicContact CG1-CD1 3.53Å; V217-F258 HydrophobicContact CG1-CD2 4.43Å; V217-F258 HydrophobicContact CG1-CE1 3.77Å; V217-F258 HydrophobicContact CG1-CG 3.87Å; V217-F258 HydrophobicContact CG1-CZ 4.33Å; V217-F258 HydrophobicContact CG2-CD1 4.46Å; V217-F258 HydrophobicContact CG2-CD2 4.12Å; V217-F258 HydrophobicContact CG2-CE1 4.23Å; V217-F258 HydrophobicContact CG2-CE2 3.88Å; V217-F258 HydrophobicContact CG2-CG 4.39Å; V217-F258 HydrophobicContact CG2-CZ 3.93Å; L220-F258 HydrophobicContact CD1-CZ 4.25Å; I221-F258 HydrophobicContact CD1-CD1 4Å; I221-F258 HydrophobicContact CG1-CD1 4.15Å; I221-F258 HydrophobicContact CG1-CE1 4.36Å; I239-F258 HydrophobicContact CD1-CE1 3.87Å; I239-F258 HydrophobicContact CG1-CE1 3.79Å; I239-F258 HydrophobicContact CG1-CZ 3.94Å; I239-F258 HydrophobicContact CG2-CE1 4.15Å; I239-F258 HydrophobicContact CG2-CE2 4.45Å; I239-F258 HydrophobicContact CG2-CZ 4.08Å; F243-F258 HydrophobicContact CE2-CD2 4.02Å; F243-F258 HydrophobicContact CE2-CE2 4.3Å; F243-F258 AromaticContact CZ-CD2 3.76Å; F243-F258 HydrophobicContact CZ-CD2 3.76Å; F243-F258 HydrophobicContact CZ-CE2 4.35Å; F243-F258 HydrophobicContact CZ-CG 4.41Å; M254-F258 HydrophobicContact CG-CD2 3.91Å; M254-F258 HydrophobicContact CG-CE2 3.78Å; M254-F258 WeakPolarHBondContact O-CD2 3.22Å; M254-F258 PolarHBondContact O-N 3.49Å; M254-F258 VanDerWaalsContact O-N 3.07Å; M254-F258 HydrophobicContact SD-CE2 4.28Å; A255-F258 PolarHBondContact O-N 3.17Å; F258-K261 CarbonylContact O-C 3.45Å; F258-K261 PolarHBondContact O-N 2.84Å; F258-H262 PolarHBondContact O-N 2.92Å; F258-L263 HydrophobicContact CB-CB 4.14Å; F258-L263 HydrophobicContact CB-CD2 3.8Å; F258-L263 HydrophobicContact CD1-CB 4.41Å; F258-L263 HydrophobicContact CD1-CD1 4.36Å; F258-L263 HydrophobicContact CD1-CD2 3.8Å; F258-L263 HydrophobicContact CD1-CG 4.41Å; F258-L263 HydrophobicContact CG-CD2 4.01Å; F258-L263 WeakPolarHBondContact O-CB 3.48Å; F258-L263 PolarHBondContact O-N 2.87Å; F258-L263 VanDerWaalsContact O-N 3.15Å
259A92.7Very high93.4Very high50 Ų5062.3 Ų62.341%0.41332%0.317SS..Hα-helixtrans-63.5-43.3177.600000112A255 N256 K261 H262A255-A259 WeakPolarHBondContact O-CB 3.33Å; A255-A259 PolarHBondContact O-N 3.23Å; N256-A259 PolarHBondContact O-N 3.49Å; A259-K261 PolarHBondContact O-N 2.91Å; A259-H262 PolarHBondContact O-N 3.28Å
260Q94Very high93.9Very high152 Ų15259.6 Ų59.671%0.7130%0.3SS*.Hα-helixtrans-60.5-26.5175.7-76.2174.412.500113.2N256 H262N256-Q260 WeakPolarHBondContact O-CB 3.32Å; N256-Q260 WeakPolarHBondContact O-CG 3.47Å; N256-Q260 PolarHBondContact O-N 3.33Å; Q260-H262 VanDerWaalsContact C-N 3.31Å
261K94.3Very high94.3Very high125 Ų12554.1 Ų54.154%0.54328%0.277SS..THydrogen-bonded Turntrans-94.216.4175-65.8-67.3-174.8179.90113.2V217 I221 A257 F258 A259 L263V217-K261 HydrophobicContact CG1-CB 4.12Å; V217-K261 HydrophobicContact CG1-CG 4.01Å; I221-K261 HydrophobicContact CD1-CB 3.37Å; I221-K261 HydrophobicContact CD1-CG 4.46Å; A257-K261 PolarHBondContact O-N 2.7Å; F258-K261 CarbonylContact O-C 3.45Å; F258-K261 PolarHBondContact O-N 2.84Å; A259-K261 PolarHBondContact O-N 2.91Å; K261-L263 VanDerWaalsContact C-N 3.31Å; K261-L263 PolarHBondContact O-N 3.47Å
262H95Very high94.6Very high122 Ų12252.9 Ų52.957%0.56528%0.275SS*.THydrogen-bonded Turntrans62.131173.5-49.2-62.1000114.7F258 A259 Q260 R264 S265 I266F258-H262 PolarHBondContact O-N 2.92Å; A259-H262 PolarHBondContact O-N 3.28Å; Q260-H262 VanDerWaalsContact C-N 3.31Å; H262-R264 PolarHBondContact O-N 3.18Å; H262-R264 VanDerWaalsContact O-N 3.14Å; H262-S265 WeakPolarHBondContact CB-OG 3.45Å; H262-S265 PolarHBondContact O-N 2.8Å; H262-S265 VanDerWaalsContact O-N 3.15Å; H262-S265 PolarHBondContact O-OG 3.09Å; H262-S265 VanDerWaalsContact O-OG 3.14Å; H262-I266 WeakPolarHBondContact O-CG1 3.4Å; H262-I266 PolarHBondContact O-N 2.77Å; H262-I266 VanDerWaalsContact O-N 3.07Å
263L95.6Very high94.8Very high15 Ų1556.9 Ų56.98%0.07929%0.287CS..Hα-helixtrans-46.3-48178.4174.465.1000112I221 L224 I239 F258 K261 I266 I267I221-L263 HydrophobicContact CD1-CB 4.15Å; I221-L263 HydrophobicContact CG1-CD1 4.06Å; L224-L263 HydrophobicContact CD1-CD1 3.46Å; L224-L263 VanDerWaalsContact CD1-CD1 3.46Å; I239-L263 HydrophobicContact CD1-CD1 4.08Å; F258-L263 HydrophobicContact CB-CB 4.14Å; F258-L263 HydrophobicContact CB-CD2 3.8Å; F258-L263 HydrophobicContact CD1-CB 4.41Å; F258-L263 HydrophobicContact CD1-CD1 4.36Å; F258-L263 HydrophobicContact CD1-CD2 3.8Å; F258-L263 HydrophobicContact CD1-CG 4.41Å; F258-L263 HydrophobicContact CG-CD2 4.01Å; F258-L263 WeakPolarHBondContact O-CB 3.48Å; F258-L263 PolarHBondContact O-N 2.87Å; F258-L263 VanDerWaalsContact O-N 3.15Å; K261-L263 VanDerWaalsContact C-N 3.31Å; K261-L263 PolarHBondContact O-N 3.47Å; L263-I266 PolarHBondContact O-N 2.83Å; L263-I267 HydrophobicContact CD1-CD1 3.81Å; L263-I267 HydrophobicContact CD1-CG1 4.18Å; L263-I267 HydrophobicContact CD2-CD1 4.48Å; L263-I267 HydrophobicContact CG-CD1 3.86Å; L263-I267 WeakPolarHBondContact O-CG1 3.44Å; L263-I267 PolarHBondContact O-N 3.26Å
264R96.1Very high94.8Very high49 Ų4952.9 Ų52.919%0.18527%0.271CS..Hα-helixtrans-62.8-46.1-176.8-174.4-170.957.181.8-8.4113H262 I266 I267 L268 F439 T440 H441 D442H262-R264 PolarHBondContact O-N 3.18Å; H262-R264 VanDerWaalsContact O-N 3.14Å; R264-I266 VanDerWaalsContact C-N 3.29Å; R264-I266 PolarHBondContact O-N 2.9Å; R264-I267 PolarHBondContact O-N 3.36Å; R264-L268 WeakPolarHBondContact O-CB 3.37Å; R264-L268 PolarHBondContact O-N 2.94Å; R264-F439 HydrophobicContact CG-CB 4.32Å; R264-F439 HydrophobicContact CG-CD1 4.4Å; R264-F439 VanDerWaalsContact CG-O 3.32Å; R264-F439 WeakPolarHBondContact CG-O 3.09Å; R264-F439 PolarHBondContact NH1-O 3.41Å; R264-T440 PolarHBondContact NH1-O 3.45Å; R264-H441 WeakPolarHBondContact CD-O 3.44Å; R264-H441 VanDerWaalsContact CZ-CA 3.43Å; R264-H441 PolarHBondContact NE-O 3.39Å; R264-D442 VanDerWaalsContact CZ-N 3.33Å; R264-D442 IonicContact CZ-OD1 3.33Å; R264-D442 IonicContact NE-OD1 3.84Å; R264-D442 PolarHBondContact NE-OD1 3.42Å; R264-D442 VanDerWaalsContact NH2-N 3.17Å; R264-D442 IonicContact NH2-OD1 3.1Å; R264-D442 PolarHBondContact NH2-OD1 3.49Å; R264-D442 IonicContact NH2-OD2 3.39Å; R264-D442 PolarHBondContact NH2-OD2 2.84Å
265S95.3Very high94.6Very high38 Ų3859.9 Ų59.927%0.26631%0.309SS..Hα-helixtrans-70-31.5-179.670.70000111.5H262 L268 N269H262-S265 WeakPolarHBondContact CB-OG 3.45Å; H262-S265 PolarHBondContact O-N 2.8Å; H262-S265 VanDerWaalsContact O-N 3.15Å; H262-S265 PolarHBondContact O-OG 3.09Å; H262-S265 VanDerWaalsContact O-OG 3.14Å; S265-L268 PolarHBondContact O-N 3.37Å; S265-N269 WeakPolarHBondContact O-CB 3.47Å; S265-N269 VanDerWaalsContact O-CG 3.28Å; S265-N269 PolarHBondContact O-N 3.01Å; S265-N269 PolarHBondContact O-ND2 2.76Å
266I97.5Very high94.4Very high19 Ų1966.4 Ų66.410%0.09733%0.331CS..Hα-helixtrans-66.1-47.1173.8-71.1170.3000110.5I221 L224 Q225 H262 L263 R264 L268 N269 H270I221-I266 HydrophobicContact CG2-CD1 3.16Å; I221-I266 HydrophobicContact CG2-CG1 4.44Å; I221-I266 HydrophobicContact CG2-CG2 4.43Å; L224-I266 HydrophobicContact CB-CG2 3.76Å; L224-I266 HydrophobicContact CD1-CG2 4.41Å; Q225-I266 HydrophobicContact CG-CG2 3.83Å; H262-I266 WeakPolarHBondContact O-CG1 3.4Å; H262-I266 PolarHBondContact O-N 2.77Å; H262-I266 VanDerWaalsContact O-N 3.07Å; L263-I266 PolarHBondContact O-N 2.83Å; R264-I266 VanDerWaalsContact C-N 3.29Å; R264-I266 PolarHBondContact O-N 2.9Å; I266-L268 VanDerWaalsContact C-N 3.32Å; I266-L268 PolarHBondContact O-N 3.49Å; I266-N269 PolarHBondContact O-N 2.86Å; I266-H270 WeakPolarHBondContact O-CB 3.48Å; I266-H270 PolarHBondContact O-CD2 3.12Å; I266-H270 PolarHBondContact O-N 3.22Å
267I97.7Very high94.2Very high1 Ų168.7 Ų68.71%0.00535%0.349CS..Hα-helixtrans-59.4-44.9173.2-68.9171.8000110.6L224 I236 L263 R264 N269 V271 I272 L286 L289 F439L224-I267 HydrophobicContact CD1-CG1 4.16Å; I236-I267 HydrophobicContact CD1-CD1 4.46Å; I236-I267 HydrophobicContact CD1-CG1 4.41Å; L263-I267 HydrophobicContact CD1-CD1 3.81Å; L263-I267 HydrophobicContact CD1-CG1 4.18Å; L263-I267 HydrophobicContact CD2-CD1 4.48Å; L263-I267 HydrophobicContact CG-CD1 3.86Å; L263-I267 WeakPolarHBondContact O-CG1 3.44Å; L263-I267 PolarHBondContact O-N 3.26Å; R264-I267 PolarHBondContact O-N 3.36Å; I267-N269 VanDerWaalsContact C-N 3.32Å; I267-N269 PolarHBondContact O-N 3Å; I267-V271 HydrophobicContact CG2-CB 4.32Å; I267-V271 WeakPolarHBondContact O-CA 3.27Å; I267-V271 VanDerWaalsContact O-CB 3.31Å; I267-V271 WeakPolarHBondContact O-CB 3.46Å; I267-V271 PolarHBondContact O-N 3.46Å; I267-I272 HydrophobicContact CG2-CD1 4.15Å; I267-I272 HydrophobicContact CG2-CG1 4.26Å; I267-I272 PolarHBondContact O-N 3.39Å; I267-L286 HydrophobicContact CG2-CD2 3.64Å; I267-L289 HydrophobicContact CD1-CD2 3.35Å; I267-F439 HydrophobicContact CB-CD1 4.42Å; I267-F439 HydrophobicContact CD1-CE1 4.42Å; I267-F439 HydrophobicContact CG2-CD1 3.8Å; I267-F439 HydrophobicContact CG2-CE1 3.94Å
268L97Very high94.1Very high15 Ų1569.4 Ų69.48%0.07935%0.348CS..Iπ-helixtrans-58.3-44.5179.2-178.863.7000111.8R264 S265 I266 I272 R273 T440R264-L268 WeakPolarHBondContact O-CB 3.37Å; R264-L268 PolarHBondContact O-N 2.94Å; S265-L268 PolarHBondContact O-N 3.37Å; I266-L268 VanDerWaalsContact C-N 3.32Å; I266-L268 PolarHBondContact O-N 3.49Å; L268-I272 HydrophobicContact CD1-CB 4.24Å; L268-I272 HydrophobicContact CD1-CD1 4.33Å; L268-I272 HydrophobicContact CD1-CG2 4.15Å; L268-R273 HydrophobicContact CD1-CG 4.38Å; L268-R273 VanDerWaalsContact O-CB 3.25Å; L268-R273 WeakPolarHBondContact O-CB 3.49Å; L268-R273 VanDerWaalsContact O-CG 3.31Å; L268-R273 WeakPolarHBondContact O-CG 3.41Å; L268-R273 PolarHBondContact O-N 2.59Å; L268-T440 HydrophobicContact CD1-CG2 4.3Å; L268-T440 HydrophobicContact CD2-CG2 4.47Å
269N96.6Very high93.7Very high86 Ų8675.3 Ų75.346%0.4637%0.374SS..Iπ-helixtrans-84.2-40.7-173.8-68.8-24.4000113.4S265 I266 I267 R273S265-N269 WeakPolarHBondContact O-CB 3.47Å; S265-N269 VanDerWaalsContact O-CG 3.28Å; S265-N269 PolarHBondContact O-N 3.01Å; S265-N269 PolarHBondContact O-ND2 2.76Å; I266-N269 PolarHBondContact O-N 2.86Å; I267-N269 VanDerWaalsContact C-N 3.32Å; I267-N269 PolarHBondContact O-N 3Å; N269-R273 CarbonylContact O-C 3.56Å
270H96.2Very high93.2Very high68 Ų6875.6 Ų75.632%0.31537%0.37SS..Iπ-helixtrans-95-21-173-68.1-91.4000113.9L224 Q225 Q232 I266L224-H270 VanDerWaalsContact O-CB 3.31Å; L224-H270 WeakPolarHBondContact O-CB 3.42Å; Q225-H270 PolarHBondContact O-ND1 3.04Å; Q232-H270 PolarHBondContact NE2-O 3.44Å; I266-H270 WeakPolarHBondContact O-CB 3.48Å; I266-H270 PolarHBondContact O-CD2 3.12Å; I266-H270 PolarHBondContact O-N 3.22Å
271V96.3Very high92.7Very high5 Ų571.4 Ų71.43%0.0335%0.351CS..Iπ-helixtrans-112.2-62.7-179.8-174.30000110.7I236 I267 G274 I278 M282 L286I236-V271 HydrophobicContact CD1-CG2 4.46Å; I267-V271 HydrophobicContact CG2-CB 4.32Å; I267-V271 WeakPolarHBondContact O-CA 3.27Å; I267-V271 VanDerWaalsContact O-CB 3.31Å; I267-V271 WeakPolarHBondContact O-CB 3.46Å; I267-V271 PolarHBondContact O-N 3.46Å; V271-G274 PolarHBondContact O-N 3.02Å; V271-I278 HydrophobicContact CG1-CD1 4.19Å; V271-I278 HydrophobicContact CG1-CG1 4.33Å; V271-M282 HydrophobicContact CG1-CE 4.08Å; V271-M282 HydrophobicContact CG1-CG 3.79Å; V271-M282 HydrophobicContact CG1-SD 3.7Å; V271-M282 HydrophobicContact CG2-CE 4.42Å; V271-L286 HydrophobicContact CG1-CD1 4Å; V271-L286 HydrophobicContact CG1-CD2 4.47Å
272I95.5Very high92.6Very high35 Ų3565.5 Ų65.518%0.17933%0.325CS..Iπ-helixtrans-68-42.9-173.7-62.1175.2000112I267 L268 L286 Y434 P436 F439I267-I272 HydrophobicContact CG2-CD1 4.15Å; I267-I272 HydrophobicContact CG2-CG1 4.26Å; I267-I272 PolarHBondContact O-N 3.39Å; L268-I272 HydrophobicContact CD1-CB 4.24Å; L268-I272 HydrophobicContact CD1-CD1 4.33Å; L268-I272 HydrophobicContact CD1-CG2 4.15Å; I272-L286 HydrophobicContact CG1-CD1 4.45Å; I272-Y434 HydrophobicContact CD1-CE2 4.27Å; I272-Y434 HydrophobicContact CG1-CE2 4.43Å; I272-P436 HydrophobicContact CG2-CB 4.41Å; I272-F439 HydrophobicContact CD1-CB 3.48Å; I272-F439 VanDerWaalsContact CD1-CB 3.48Å; I272-F439 HydrophobicContact CD1-CD1 4.06Å; I272-F439 HydrophobicContact CD1-CD2 3.68Å; I272-F439 HydrophobicContact CD1-CE2 4.43Å; I272-F439 HydrophobicContact CD1-CG 3.46Å; I272-F439 VanDerWaalsContact CD1-CG 3.46Å
273R94.6Very high92.4Very high158 Ų15860.3 Ų60.360%0.59630%0.303SS*.THydrogen-bonded Turntrans-100.214.4175.6-61.6175.9176.3175.7-1.9112.4L268 N269L268-R273 HydrophobicContact CD1-CG 4.38Å; L268-R273 VanDerWaalsContact O-CB 3.25Å; L268-R273 WeakPolarHBondContact O-CB 3.49Å; L268-R273 VanDerWaalsContact O-CG 3.31Å; L268-R273 WeakPolarHBondContact O-CG 3.41Å; L268-R273 PolarHBondContact O-N 2.59Å; N269-R273 CarbonylContact O-C 3.56Å
274G91.3Very high92Very high25 Ų2560.5 Ų60.526%0.25830%0.304SS..SBendtrans-64.1158178.700000112.1V271 R276V271-G274 PolarHBondContact O-N 3.02Å; G274-R276 PolarHBondContact O-N 3.42Å
275N87.1Confident91.9Very high177 Ų17759.1 Ų59.195%0.94730%0.3SS*.SBendtrans-68.1-18.3-178.5-68.3-13.4000113.8
276R88.1Confident92Very high149 Ų14957.3 Ų57.356%0.56229%0.287SS*.SBendtrans-105.1139.1-177.4-65.8-177.9179.5-172.51.2109.8G274G274-R276 PolarHBondContact O-N 3.42Å
277P89.3Confident91.8Very high114 Ų11456.8 Ų56.874%0.7428%0.284SS*.PPolyproline II helixtrans-61.8143.9175.127.5-34.1000110.3Q229 K279Q229-P277 PolarHBondContact NE2-O 3.29Å; P277-K279 PolarHBondContact O-N 2.71Å
278I91Very high91.6Very high50 Ų5057.5 Ų57.526%0.25629%0.288SS..PPolyproline II helixtrans-70.9121.1178-68.7171.4000109.2V271 M282 A283 L286 Y434V271-I278 HydrophobicContact CG1-CD1 4.19Å; V271-I278 HydrophobicContact CG1-CG1 4.33Å; I278-M282 HydrophobicContact CG2-CB 3.91Å; I278-M282 HydrophobicContact CG2-CG 3.74Å; I278-A283 HydrophobicContact CG2-CB 3.79Å; I278-L286 HydrophobicContact CD1-CD1 3.93Å; I278-Y434 WeakPolarHBondContact CD1-OH 3.48Å
279K86.2Confident91.6Very high129 Ų12957 Ų5756%0.56129%0.285SS*.PPolyproline II helixtrans-75.8161.5171.4-70.4176.4-172.8-172.40111.2P277 E281 M282 A283P277-K279 PolarHBondContact O-N 2.71Å; K279-E281 VanDerWaalsContact C-N 3.35Å; K279-E281 PolarHBondContact O-N 3.28Å; K279-M282 PolarHBondContact O-N 3.25Å; K279-M282 VanDerWaalsContact O-N 3.11Å; K279-A283 PolarHBondContact O-N 3.42Å
280T83.3Confident91.6Very high56 Ų5653.3 Ų53.334%0.34427%0.265SS..Hα-helixtrans-48.2-50.4-178.7-47.50000113.4M282 A283 H284 N432T280-M282 PolarHBondContact O-N 3.11Å; T280-A283 WeakPolarHBondContact O-CB 3.36Å; T280-A283 PolarHBondContact O-N 3.12Å; T280-A283 VanDerWaalsContact O-N 3.16Å; T280-H284 PolarHBondContact O-N 2.69Å; T280-N432 WeakPolarHBondContact CG2-ND2 3.33Å
281E82Confident91.5Very high64 Ų6450.9 Ų50.930%0.29926%0.255SS..Hα-helixtrans-62.2-43.8-178.9-17559.3-139.100112.1T233 K279 A283 H284 Q285T233-E281 HydrophobicContact CG2-CB 4.27Å; T233-E281 HydrophobicContact CG2-CG 3.45Å; T233-E281 VanDerWaalsContact CG2-CG 3.45Å; K279-E281 VanDerWaalsContact C-N 3.35Å; K279-E281 PolarHBondContact O-N 3.28Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.49Å; E281-H284 WeakPolarHBondContact O-CB 3.3Å; E281-H284 PolarHBondContact O-N 3.17Å; E281-Q285 WeakPolarHBondContact O-CG 3.36Å; E281-Q285 PolarHBondContact O-N 2.98Å; E281-Q285 PolarHBondContact OE1-NE2 3.06Å
282M92.4Very high91.3Very high0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-64.1-40.9175.8173.557.182.100111.3Q229 Q232 T233 I236 V271 I278 K279 T280 H284 Q285 L286Q229-M282 HydrophobicContact CG-CB 4.47Å; Q229-M282 HydrophobicContact CG-CE 4.43Å; Q232-M282 HydrophobicContact CB-CE 3.4Å; Q232-M282 VanDerWaalsContact CB-CE 3.4Å; T233-M282 WeakPolarHBondContact OG1-CE 3.46Å; I236-M282 HydrophobicContact CD1-CE 4.12Å; I236-M282 HydrophobicContact CD1-SD 3.74Å; V271-M282 HydrophobicContact CG1-CE 4.08Å; V271-M282 HydrophobicContact CG1-CG 3.79Å; V271-M282 HydrophobicContact CG1-SD 3.7Å; V271-M282 HydrophobicContact CG2-CE 4.42Å; I278-M282 HydrophobicContact CG2-CB 3.91Å; I278-M282 HydrophobicContact CG2-CG 3.74Å; K279-M282 PolarHBondContact O-N 3.25Å; K279-M282 VanDerWaalsContact O-N 3.11Å; T280-M282 PolarHBondContact O-N 3.11Å; M282-H284 VanDerWaalsContact C-N 3.31Å; M282-H284 PolarHBondContact O-N 3.13Å; M282-Q285 PolarHBondContact O-N 2.77Å; M282-L286 HydrophobicContact CG-CD1 4.41Å; M282-L286 WeakPolarHBondContact O-CG 3.47Å; M282-L286 PolarHBondContact O-N 3.44Å; M282-L286 HydrophobicContact SD-CG 4.17Å
283A90.8Very high91.3Very high14 Ų1453 Ų5312%0.11627%0.27CS..Hα-helixtrans-61.6-40.8175.900000111.7I278 K279 T280 E281 L286 Y287 N432 Y434I278-A283 HydrophobicContact CG2-CB 3.79Å; K279-A283 PolarHBondContact O-N 3.42Å; T280-A283 WeakPolarHBondContact O-CB 3.36Å; T280-A283 PolarHBondContact O-N 3.12Å; T280-A283 VanDerWaalsContact O-N 3.16Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.49Å; A283-L286 PolarHBondContact O-N 2.75Å; A283-Y287 PolarHBondContact O-N 3.11Å; A283-N432 HydrophobicContact CB-CB 4.21Å; A283-Y434 HydrophobicContact CB-CE1 4.39Å
284H87.3Confident91.4Very high19 Ų1946.3 Ų46.39%0.08825%0.245CC..Hα-helixtrans-58.7-50.3172.3-177.557.3000111.3T280 E281 M282 L286 Y287 V288 N428 R431 N432T280-H284 PolarHBondContact O-N 2.69Å; E281-H284 WeakPolarHBondContact O-CB 3.3Å; E281-H284 PolarHBondContact O-N 3.17Å; M282-H284 VanDerWaalsContact C-N 3.31Å; M282-H284 PolarHBondContact O-N 3.13Å; H284-L286 VanDerWaalsContact C-N 3.28Å; H284-L286 PolarHBondContact O-N 2.81Å; H284-Y287 WeakPolarHBondContact O-CA 3.37Å; H284-Y287 WeakPolarHBondContact O-CB 3.24Å; H284-Y287 PolarHBondContact O-N 2.94Å; H284-V288 WeakPolarHBondContact O-CG2 3.46Å; H284-V288 PolarHBondContact O-N 3.39Å; H284-N428 PolarHBondContact CE1-O 3.19Å; H284-N428 VanDerWaalsContact CE1-O 3.25Å; H284-R431 PolarHBondContact ND1-O 3.18Å; H284-N432 WeakPolarHBondContact CB-OD1 3.42Å
285Q94.3Very high91.5Very high20 Ų2045.8 Ų45.89%0.09324%0.236CC..Hα-helixtrans-61.5-34.1178.9-64.6-52.1-35.300113T233 I236 A237 N240 E281 M282 L289T233-Q285 HydrophobicContact CG2-CG 4.07Å; I236-Q285 HydrophobicContact CB-CB 4.3Å; I236-Q285 HydrophobicContact CG2-CB 3.82Å; A237-Q285 HydrophobicContact CB-CG 4.28Å; N240-Q285 PolarHBondContact ND2-O 3.1Å; N240-Q285 PolarHBondContact ND2-OE1 3.46Å; E281-Q285 WeakPolarHBondContact O-CG 3.36Å; E281-Q285 PolarHBondContact O-N 2.98Å; E281-Q285 PolarHBondContact OE1-NE2 3.06Å; M282-Q285 PolarHBondContact O-N 2.77Å; Q285-L289 WeakPolarHBondContact O-CB 3.43Å; Q285-L289 PolarHBondContact O-N 3.36Å
286L96.9Very high91.8Very high0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-69.7-39172.8-69.3175.5000112.6I236 I267 V271 I272 I278 M282 A283 H284 L289 Q290 Y434 F439I236-L286 HydrophobicContact CD1-CD2 3.99Å; I267-L286 HydrophobicContact CG2-CD2 3.64Å; V271-L286 HydrophobicContact CG1-CD1 4Å; V271-L286 HydrophobicContact CG1-CD2 4.47Å; I272-L286 HydrophobicContact CG1-CD1 4.45Å; I278-L286 HydrophobicContact CD1-CD1 3.93Å; M282-L286 HydrophobicContact CG-CD1 4.41Å; M282-L286 WeakPolarHBondContact O-CG 3.47Å; M282-L286 PolarHBondContact O-N 3.44Å; M282-L286 HydrophobicContact SD-CG 4.17Å; A283-L286 PolarHBondContact O-N 2.75Å; H284-L286 VanDerWaalsContact C-N 3.28Å; H284-L286 PolarHBondContact O-N 2.81Å; L286-L289 PolarHBondContact O-N 3.16Å; L286-Q290 WeakPolarHBondContact O-CB 3.44Å; L286-Q290 PolarHBondContact O-N 3.28Å; L286-Y434 HydrophobicContact CB-CD1 4.02Å; L286-Y434 HydrophobicContact CB-CD2 4.4Å; L286-Y434 HydrophobicContact CB-CE1 4.24Å; L286-Y434 HydrophobicContact CB-CG 4.12Å; L286-Y434 HydrophobicContact CD1-CD1 4.45Å; L286-Y434 HydrophobicContact CD1-CE1 3.84Å; L286-Y434 HydrophobicContact CD1-CE2 4.07Å; L286-F439 HydrophobicContact CD2-CE1 4.41Å; L286-F439 HydrophobicContact CD2-CZ 4.34Å
287Y94.9Very high92.1Very high8 Ų833 Ų333%0.03118%0.178CC..Hα-helixtrans-60.7-50172.2158.4-100.8000110.8A283 H284 L289 Q290 V291 P427 N428 R431 D433A283-Y287 PolarHBondContact O-N 3.11Å; H284-Y287 WeakPolarHBondContact O-CA 3.37Å; H284-Y287 WeakPolarHBondContact O-CB 3.24Å; H284-Y287 PolarHBondContact O-N 2.94Å; Y287-L289 VanDerWaalsContact C-N 3.34Å; Y287-L289 PolarHBondContact O-N 2.98Å; Y287-Q290 PolarHBondContact O-N 3.39Å; Y287-Q290 VanDerWaalsContact O-N 3.15Å; Y287-V291 HydrophobicContact CD2-CG2 4.04Å; Y287-V291 HydrophobicContact CE1-CG2 4.39Å; Y287-V291 HydrophobicContact CE2-CG2 3.5Å; Y287-V291 WeakPolarHBondContact O-CG2 3.44Å; Y287-V291 PolarHBondContact O-N 3.43Å; Y287-P427 HydrophobicContact CE1-CB 4.38Å; Y287-N428 WeakPolarHBondContact CE1-O 3.45Å; Y287-N428 PolarHBondContact OH-N 3.1Å; Y287-N428 PolarHBondContact OH-ND2 3.1Å; Y287-N428 VanDerWaalsContact OH-ND2 3.12Å; Y287-R431 HydrophobicContact CD1-CB 4.06Å; Y287-R431 WeakPolarHBondContact CD1-O 3.19Å; Y287-R431 HydrophobicContact CD2-CB 4.31Å; Y287-R431 HydrophobicContact CE1-CB 3.73Å; Y287-R431 HydrophobicContact CE2-CB 4Å; Y287-R431 HydrophobicContact CG-CB 4.34Å; Y287-D433 VanDerWaalsContact CD2-O 3.23Å; Y287-D433 WeakPolarHBondContact CD2-O 3.23Å
288V93.1Very high92.3Very high15 Ų1531 Ų319%0.09116%0.159CC..Hα-helixtrans-57.6-47.9177.21750000110.6N240 H284 Q290 V291 L292 P427N240-V288 HydrophobicContact CB-CG1 3.98Å; H284-V288 WeakPolarHBondContact O-CG2 3.46Å; H284-V288 PolarHBondContact O-N 3.39Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; V288-Q290 PolarHBondContact O-N 3.5Å; V288-V291 PolarHBondContact O-N 2.89Å; V288-L292 HydrophobicContact CG1-CD1 3.85Å; V288-L292 HydrophobicContact CG1-CG 4.3Å; V288-L292 VanDerWaalsContact O-CG 3.29Å; V288-L292 WeakPolarHBondContact O-CG 3.39Å; V288-L292 PolarHBondContact O-N 3.35Å; V288-P427 HydrophobicContact CB-CB 4.19Å; V288-P427 HydrophobicContact CG1-CB 3.91Å; V288-P427 HydrophobicContact CG1-CG 3.97Å; V288-P427 HydrophobicContact CG2-CB 3.94Å
289L96.9Very high92.3Very high4 Ų434.6 Ų34.62%0.02118%0.175CC..Hα-helixtrans-59.6-41.3178.2-178.961000112I236 I239 N240 F243 I267 Q285 L286 Y287 L292 T293 F439I236-L289 HydrophobicContact CG2-CD2 4.36Å; I239-L289 HydrophobicContact CG2-CD1 4.48Å; N240-L289 VanDerWaalsContact OD1-CA 3.28Å; N240-L289 WeakPolarHBondContact OD1-CA 3.35Å; N240-L289 VanDerWaalsContact OD1-CB 3.29Å; N240-L289 WeakPolarHBondContact OD1-CB 3.22Å; N240-L289 WeakPolarHBondContact OD1-CD1 3.25Å; N240-L289 PolarHBondContact OD1-N 2.97Å; F243-L289 HydrophobicContact CD2-CD1 4.43Å; F243-L289 HydrophobicContact CE2-CD1 4.37Å; I267-L289 HydrophobicContact CD1-CD2 3.35Å; Q285-L289 WeakPolarHBondContact O-CB 3.43Å; Q285-L289 PolarHBondContact O-N 3.36Å; L286-L289 PolarHBondContact O-N 3.16Å; Y287-L289 VanDerWaalsContact C-N 3.34Å; Y287-L289 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 3.25Å; L289-T293 WeakPolarHBondContact O-CB 3.37Å; L289-T293 PolarHBondContact O-N 2.85Å; L289-T293 PolarHBondContact O-OG1 3.43Å; L289-F439 HydrophobicContact CD2-CE1 4.23Å
290Q96.8Very high92.8Very high10 Ų1032.1 Ų32.15%0.04716%0.162CC..Hα-helixtrans-64.2-45178.1176.4163.539.500111.9L286 Y287 V288 T293 F294 Y434 H435 F439L286-Q290 WeakPolarHBondContact O-CB 3.44Å; L286-Q290 PolarHBondContact O-N 3.28Å; Y287-Q290 PolarHBondContact O-N 3.39Å; Y287-Q290 VanDerWaalsContact O-N 3.15Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; V288-Q290 PolarHBondContact O-N 3.5Å; Q290-T293 PolarHBondContact O-N 2.87Å; Q290-F294 HydrophobicContact CG-CD2 3.81Å; Q290-F294 HydrophobicContact CG-CE2 3.34Å; Q290-F294 HydrophobicContact CG-CZ 3.84Å; Q290-F294 WeakPolarHBondContact O-CD2 3.5Å; Q290-F294 WeakPolarHBondContact O-CG 3.17Å; Q290-F294 PolarHBondContact O-N 3.34Å; Q290-Y434 VanDerWaalsContact OE1-CA 3.26Å; Q290-Y434 VanDerWaalsContact OE1-CB 3.24Å; Q290-H435 PolarHBondContact NE2-O 3.41Å; Q290-F439 HydrophobicContact CB-CE2 4.46Å; Q290-F439 HydrophobicContact CB-CZ 4.35Å
291V93.9Very high93.5Very high17 Ų1730.1 Ų30.110%0.10315%0.149CC..Hα-helixtrans-59.8-49175.5172.50000110.6Y287 V288 T293 F294 N295 E425 P427Y287-V291 HydrophobicContact CD2-CG2 4.04Å; Y287-V291 HydrophobicContact CE1-CG2 4.39Å; Y287-V291 HydrophobicContact CE2-CG2 3.5Å; Y287-V291 WeakPolarHBondContact O-CG2 3.44Å; Y287-V291 PolarHBondContact O-N 3.43Å; V288-V291 PolarHBondContact O-N 2.89Å; V291-T293 VanDerWaalsContact C-N 3.28Å; V291-T293 PolarHBondContact O-N 3.03Å; V291-F294 PolarHBondContact O-N 3.47Å; V291-F294 VanDerWaalsContact O-N 3.15Å; V291-N295 VanDerWaalsContact O-CG 3.26Å; V291-N295 PolarHBondContact O-N 3.45Å; V291-N295 PolarHBondContact O-OD1 2.94Å; V291-E425 WeakPolarHBondContact CG1-O 3.15Å; V291-P427 HydrophobicContact CB-CB 4.29Å; V291-P427 HydrophobicContact CG1-CB 4.18Å
292L92Very high94.1Very high15 Ų1531.6 Ų31.68%0.07916%0.157CC..Hα-helixtrans-60.5-38.6178.4-66.9174.7000112.1N240 F243 L244 V288 L289 N295 L296 P427N240-L292 HydrophobicContact CB-CD1 4.1Å; F243-L292 HydrophobicContact CB-CD1 3.92Å; L244-L292 HydrophobicContact CD1-CD2 4.06Å; V288-L292 HydrophobicContact CG1-CD1 3.85Å; V288-L292 HydrophobicContact CG1-CG 4.3Å; V288-L292 VanDerWaalsContact O-CG 3.29Å; V288-L292 WeakPolarHBondContact O-CG 3.39Å; V288-L292 PolarHBondContact O-N 3.35Å; L289-L292 PolarHBondContact O-N 3.25Å; L292-N295 PolarHBondContact O-N 3.42Å; L292-L296 PolarHBondContact O-N 3.18Å; L292-P427 HydrophobicContact CD2-CG 4.4Å
293T95.3Very high94.3Very high70 Ų7033.9 Ų33.943%0.42917%0.171SC..Hα-helixtrans-67.1-39.8176.6-55.50000111.6L289 Q290 V291 L296L289-T293 WeakPolarHBondContact O-CB 3.37Å; L289-T293 PolarHBondContact O-N 2.85Å; L289-T293 PolarHBondContact O-OG1 3.43Å; Q290-T293 PolarHBondContact O-N 2.87Å; V291-T293 VanDerWaalsContact C-N 3.28Å; V291-T293 PolarHBondContact O-N 3.03Å; T293-L296 WeakPolarHBondContact O-CB 3.33Å; T293-L296 WeakPolarHBondContact O-CG 3.46Å; T293-L296 PolarHBondContact O-N 3.39Å
294F96Very high94.6Very high16 Ų1639.3 Ų39.37%0.0719%0.192CC..Hα-helixtrans-66.1-37.8174.5-72.5-34.6000112.5Q290 V291 L296 L297 L421 V423 F438Q290-F294 HydrophobicContact CG-CD2 3.81Å; Q290-F294 HydrophobicContact CG-CE2 3.34Å; Q290-F294 HydrophobicContact CG-CZ 3.84Å; Q290-F294 WeakPolarHBondContact O-CD2 3.5Å; Q290-F294 WeakPolarHBondContact O-CG 3.17Å; Q290-F294 PolarHBondContact O-N 3.34Å; V291-F294 PolarHBondContact O-N 3.47Å; V291-F294 VanDerWaalsContact O-N 3.15Å; F294-L296 PolarHBondContact O-N 3.26Å; F294-L297 VanDerWaalsContact O-CB 3.22Å; F294-L297 WeakPolarHBondContact O-CB 3.42Å; F294-L297 WeakPolarHBondContact O-CG 3.37Å; F294-L297 PolarHBondContact O-N 3.06Å; F294-L421 HydrophobicContact CD2-CB 4.46Å; F294-L421 HydrophobicContact CE1-CD1 4.23Å; F294-L421 HydrophobicContact CE2-CB 4.35Å; F294-L421 HydrophobicContact CE2-CD2 4.27Å; F294-L421 HydrophobicContact CZ-CD1 4.2Å; F294-L421 HydrophobicContact CZ-CD2 4.19Å; F294-V423 HydrophobicContact CB-CG2 4.28Å; F294-F438 AromaticContact CE1-CD1 3.55Å; F294-F438 HydrophobicContact CE1-CD1 3.55Å; F294-F438 AromaticContact CE1-CE1 3.61Å; F294-F438 HydrophobicContact CE1-CE1 3.61Å; F294-F438 HydrophobicContact CE1-CG 4.02Å; F294-F438 HydrophobicContact CE1-CZ 4.1Å; F294-F438 HydrophobicContact CZ-CB 4.47Å; F294-F438 AromaticContact CZ-CD1 3.67Å; F294-F438 HydrophobicContact CZ-CD1 3.67Å; F294-F438 AromaticContact CZ-CD2 3.82Å; F294-F438 HydrophobicContact CZ-CD2 3.82Å; F294-F438 AromaticContact CZ-CE1 3.64Å; F294-F438 HydrophobicContact CZ-CE1 3.64Å; F294-F438 AromaticContact CZ-CE2 3.77Å; F294-F438 HydrophobicContact CZ-CE2 3.77Å; F294-F438 AromaticContact CZ-CG 3.73Å; F294-F438 HydrophobicContact CZ-CG 3.73Å; F294-F438 AromaticContact CZ-CZ 3.66Å; F294-F438 HydrophobicContact CZ-CZ 3.66Å
295N93.1Very high95.1Very high15 Ų1538.6 Ų38.68%0.0819%0.189CC..Hα-helixtrans-68.2-14.1-179.9-67.4-2.5000113.5V291 L292 L297 E298 G424 E425V291-N295 VanDerWaalsContact O-CG 3.26Å; V291-N295 PolarHBondContact O-N 3.45Å; V291-N295 PolarHBondContact O-OD1 2.94Å; L292-N295 PolarHBondContact O-N 3.42Å; N295-L297 PolarHBondContact O-N 3.08Å; N295-E298 VanDerWaalsContact O-CB 3.24Å; N295-E298 WeakPolarHBondContact O-CB 3.43Å; N295-E298 PolarHBondContact O-N 3.02Å; N295-E298 VanDerWaalsContact O-N 3.1Å; N295-G424 WeakPolarHBondContact OD1-CA 3.35Å; N295-G424 PolarHBondContact OD1-N 3.32Å; N295-E425 PolarHBondContact ND2-O 2.85Å
296L93.7Very high95.2Very high27 Ų2741.2 Ų41.214%0.14120%0.204CC..THydrogen-bonded Turntrans-61.7-24.4167.6-57.6175.5000112.1R251 A255 L292 T293 F294 E298R251-L296 HydrophobicContact CG-CD2 3.71Å; A255-L296 HydrophobicContact CB-CD1 3.38Å; A255-L296 HydrophobicContact CB-CD2 4.27Å; A255-L296 HydrophobicContact CB-CG 4.48Å; L292-L296 PolarHBondContact O-N 3.18Å; T293-L296 WeakPolarHBondContact O-CB 3.33Å; T293-L296 WeakPolarHBondContact O-CG 3.46Å; T293-L296 PolarHBondContact O-N 3.39Å; F294-L296 PolarHBondContact O-N 3.26Å; L296-E298 VanDerWaalsContact C-N 3.33Å
297L95.8Very high95Very high29 Ų2942.2 Ų42.215%0.15221%0.21CC..THydrogen-bonded Turntrans-79.8-16.8177.2-53.5173.6000112.5F294 N295 E299 R300 M301 L372 V423 F445F294-L297 VanDerWaalsContact O-CB 3.22Å; F294-L297 WeakPolarHBondContact O-CB 3.42Å; F294-L297 WeakPolarHBondContact O-CG 3.37Å; F294-L297 PolarHBondContact O-N 3.06Å; N295-L297 PolarHBondContact O-N 3.08Å; L297-E299 VanDerWaalsContact C-N 3.34Å; L297-E299 PolarHBondContact O-N 3.28Å; L297-R300 PolarHBondContact O-N 3Å; L297-M301 WeakPolarHBondContact O-CB 3.47Å; L297-M301 PolarHBondContact O-N 3.22Å; L297-L372 HydrophobicContact CB-CD1 4.46Å; L297-L372 HydrophobicContact CB-CD2 4.22Å; L297-L372 HydrophobicContact CD2-CD1 4.31Å; L297-V423 HydrophobicContact CB-CG1 4.23Å; L297-F445 HydrophobicContact CD1-CB 3.99Å; L297-F445 HydrophobicContact CD1-CD1 3.75Å; L297-F445 HydrophobicContact CD1-CD2 3.75Å; L297-F445 HydrophobicContact CD1-CE1 4.11Å; L297-F445 HydrophobicContact CD1-CE2 4.13Å; L297-F445 HydrophobicContact CD1-CG 3.55Å; L297-F445 HydrophobicContact CD1-CZ 4.29Å
298E93Very high95Very high73 Ų7348.3 Ų48.334%0.34124%0.243SC..Hα-helixtrans-61.6-41.1-174.2-177.1178.8-159.700111.8N295 L296 R300 M301 M302 V423 G424N295-E298 VanDerWaalsContact O-CB 3.24Å; N295-E298 WeakPolarHBondContact O-CB 3.43Å; N295-E298 PolarHBondContact O-N 3.02Å; N295-E298 VanDerWaalsContact O-N 3.1Å; L296-E298 VanDerWaalsContact C-N 3.33Å; E298-R300 VanDerWaalsContact C-N 3.32Å; E298-R300 PolarHBondContact O-N 3.45Å; E298-M301 HydrophobicContact CG-CE 4.06Å; E298-M301 CarbonylContact O-C 3.24Å; E298-M301 WeakPolarHBondContact O-CB 3.5Å; E298-M301 PolarHBondContact O-N 2.93Å; E298-M301 VanDerWaalsContact O-N 3.11Å; E298-M302 HydrophobicContact CG-CG 4.13Å; E298-M302 WeakPolarHBondContact O-CB 3.45Å; E298-M302 WeakPolarHBondContact O-CG 3.34Å; E298-M302 PolarHBondContact O-N 3.37Å; E298-V423 HydrophobicContact CB-CG1 4.22Å; E298-G424 VanDerWaalsContact CD-CA 3.41Å; E298-G424 WeakPolarHBondContact OE2-CA 3.25Å
299E91.3Very high95.1Very high126 Ų12650.3 Ų50.359%0.58925%0.253SS*.Hα-helixtrans-56.2-49.5178.1-174.6-174167.100110.6L297 M302 T303L297-E299 VanDerWaalsContact C-N 3.34Å; L297-E299 PolarHBondContact O-N 3.28Å; E299-M302 CarbonylContact O-C 3.56Å; E299-M302 PolarHBondContact O-N 2.92Å; E299-T303 WeakPolarHBondContact O-CB 3.45Å; E299-T303 PolarHBondContact O-N 3.49Å; E299-T303 PolarHBondContact O-OG1 3.14Å
300R96.3Very high95Very high76 Ų7655.3 Ų55.329%0.28728%0.276SS..Hα-helixtrans-69-34.5177.3-65.3-62.7-64.9163-12.9112.5L297 E298 M302 T303 M371 L372 D375L297-R300 PolarHBondContact O-N 3Å; E298-R300 VanDerWaalsContact C-N 3.32Å; E298-R300 PolarHBondContact O-N 3.45Å; R300-M302 VanDerWaalsContact C-N 3.26Å; R300-M302 PolarHBondContact O-N 3.28Å; R300-T303 PolarHBondContact O-N 2.89Å; R300-M371 PolarHBondContact O-N 3.31Å; R300-L372 HydrophobicContact CB-CB 4.18Å; R300-L372 HydrophobicContact CB-CD1 4.33Å; R300-L372 PolarHBondContact O-N 3.47Å; R300-L372 VanDerWaalsContact O-N 3.14Å; R300-D375 IonicContact CZ-OD1 3.41Å; R300-D375 IonicContact CZ-OD2 3.03Å; R300-D375 IonicContact NE-OD1 3.67Å; R300-D375 IonicContact NE-OD2 2.63Å; R300-D375 PolarHBondContact NE-OD2 3.39Å; R300-D375 VanDerWaalsContact NH2-CG 3.31Å; R300-D375 IonicContact NH2-OD1 3.71Å; R300-D375 PolarHBondContact NH2-OD1 3.26Å; R300-D375 IonicContact NH2-OD2 2.75Å; R300-D375 PolarHBondContact NH2-OD2 2.86Å
301M97.3Very high94.9Very high15 Ų1557.9 Ų57.97%0.07430%0.299CS..Hα-helixtrans-62.5-35175.2-175.2-177.470.100112L297 E298 T367 P368 P369 G370 L372 C418 V423L297-M301 WeakPolarHBondContact O-CB 3.47Å; L297-M301 PolarHBondContact O-N 3.22Å; E298-M301 HydrophobicContact CG-CE 4.06Å; E298-M301 CarbonylContact O-C 3.24Å; E298-M301 WeakPolarHBondContact O-CB 3.5Å; E298-M301 PolarHBondContact O-N 2.93Å; E298-M301 VanDerWaalsContact O-N 3.11Å; M301-T367 WeakPolarHBondContact O-CG2 3.43Å; M301-P368 HydrophobicContact CG-CB 3.8Å; M301-P368 HydrophobicContact SD-CB 4.13Å; M301-P369 CarbonylContact C-O 3.44Å; M301-P369 VanDerWaalsContact CA-O 3.32Å; M301-P369 WeakPolarHBondContact CA-O 3.43Å; M301-P369 CarbonylContact O-C 3.58Å; M301-P369 VanDerWaalsContact O-O 3.08Å; M301-G370 PolarHBondContact O-N 3.41Å; M301-L372 HydrophobicContact CB-CB 4.44Å; M301-L372 HydrophobicContact CB-CD2 3.92Å; M301-L372 HydrophobicContact CG-CD2 4.39Å; M301-C418 HydrophobicContact SD-CB 3.49Å; M301-C418 WeakPolarHBondContact SD-CB 3.4Å; M301-V423 HydrophobicContact CE-CG1 4.21Å; M301-V423 HydrophobicContact SD-CB 4.29Å; M301-V423 HydrophobicContact SD-CG1 4.09Å
302M94.8Very high94.9Very high94 Ų9458.9 Ų58.946%0.46330%0.303SS..Hα-helixtrans-98.8-8.1-177.2-62.4-55.1-72.300113.4E298 E299 R300 K304 T367E298-M302 HydrophobicContact CG-CG 4.13Å; E298-M302 WeakPolarHBondContact O-CB 3.45Å; E298-M302 WeakPolarHBondContact O-CG 3.34Å; E298-M302 PolarHBondContact O-N 3.37Å; E299-M302 CarbonylContact O-C 3.56Å; E299-M302 PolarHBondContact O-N 2.92Å; R300-M302 VanDerWaalsContact C-N 3.26Å; R300-M302 PolarHBondContact O-N 3.28Å; M302-K304 PolarHBondContact O-N 3.42Å; M302-T367 WeakPolarHBondContact O-CG2 3.31Å
303T96.6Very high95Very high48 Ų4863.1 Ų63.129%0.29432%0.318SS..PPolyproline II helixtrans-75.4116.9173.1-61.60000110E299 R300 G370 M371E299-T303 WeakPolarHBondContact O-CB 3.45Å; E299-T303 PolarHBondContact O-N 3.49Å; E299-T303 PolarHBondContact O-OG1 3.14Å; R300-T303 PolarHBondContact O-N 2.89Å; T303-G370 CarbonylContact O-C 3.54Å; T303-G370 WeakPolarHBondContact O-CA 3.23Å; T303-M371 HydrophobicContact CG2-CB 4.34Å; T303-M371 HydrophobicContact CG2-CG 3.77Å; T303-M371 WeakPolarHBondContact O-CG 3.48Å; T303-M371 PolarHBondContact O-N 3.48Å
304K97.6Very high95Very high128 Ų12863.5 Ų63.556%0.55732%0.317SS*.PPolyproline II helixtrans-77.4142171.3-61.3-175.6174.3-166.90109.9M302 T365 T367M302-K304 PolarHBondContact O-N 3.42Å; K304-T365 WeakPolarHBondContact CD-O 3.45Å; K304-T365 WeakPolarHBondContact CE-O 3.49Å; K304-T365 VanDerWaalsContact CG-O 3.26Å; K304-T365 WeakPolarHBondContact CG-O 3.35Å; K304-T367 HydrophobicContact CB-CG2 4.48Å; K304-T367 WeakPolarHBondContact CE-OG1 3.36Å; K304-T367 HydrophobicContact CG-CG2 3.58Å
305M97.3Very high95Very high5 Ų564.9 Ų64.93%0.02533%0.325CS..PPolyproline II helixtrans-65.6141.1168.3-166.3177.2-176.900110.4P307 Q312 R313 I316 A361 F364 M371 L374M305-P307 WeakPolarHBondContact O-CD 3.42Å; M305-Q312 HydrophobicContact CE-CB 3.5Å; M305-Q312 VanDerWaalsContact CE-CB 3.5Å; M305-Q312 VanDerWaalsContact CE-O 3.28Å; M305-Q312 WeakPolarHBondContact CE-O 3.15Å; M305-Q312 HydrophobicContact CG-CB 4.2Å; M305-R313 HydrophobicContact CE-CG 4.39Å; M305-I316 HydrophobicContact CE-CD1 3.52Å; M305-I316 HydrophobicContact CE-CG1 4.07Å; M305-I316 HydrophobicContact SD-CD1 3.77Å; M305-A361 HydrophobicContact CE-CB 3.69Å; M305-A361 HydrophobicContact CG-CB 4.46Å; M305-A361 WeakPolarHBondContact SD-CA 3.34Å; M305-A361 HydrophobicContact SD-CB 3.48Å; M305-A361 WeakPolarHBondContact SD-CB 3.43Å; M305-F364 HydrophobicContact CB-CB 3.59Å; M305-F364 HydrophobicContact CG-CB 4.33Å; M305-F364 PolarHBondContact N-O 3.01Å; M305-F364 HydrophobicContact SD-CB 3.89Å; M305-F364 HydrophobicContact SD-CD2 3.81Å; M305-F364 HydrophobicContact SD-CG 4.19Å; M305-M371 VanDerWaalsContact CA-SD 3.58Å; M305-M371 HydrophobicContact CB-CG 4.47Å; M305-M371 HydrophobicContact CB-SD 3.46Å; M305-M371 WeakPolarHBondContact CB-SD 3.49Å; M305-M371 HydrophobicContact CG-SD 3.59Å; M305-M371 VanDerWaalsContact CG-SD 3.59Å; M305-M371 HydrophobicContact SD-SD 4.42Å; M305-L374 HydrophobicContact CE-CD2 4.44Å; M305-L374 HydrophobicContact SD-CD2 4.49Å
306D96.4Very high95.1Very high75 Ų7564.3 Ų64.340%0.40132%0.322SS..  trans-89.5111164-177.6-6.3000108.8N308 D309D306-N308 PolarHBondContact O-N 3.26Å; D306-N308 VanDerWaalsContact O-N 3.11Å; D306-N308 WeakPolarHBondContact OD1-CB 3.06Å; D306-N308 PolarHBondContact OD1-N 3.21Å; D306-N308 PolarHBondContact OD1-ND2 3.27Å; D306-D309 HydrophobicContact CB-CB 3.94Å; D306-D309 PolarHBondContact O-N 2.94Å; D306-D309 VanDerWaalsContact O-N 3.16Å
307P94.1Very high95.1Very high20 Ų2066.3 Ų66.313%0.1333%0.329CS..THydrogen-bonded Turntrans-66.4-11.7-178.9-19.633.7000114.3M305 R313 A361 M362 T365M305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-R313 WeakPolarHBondContact O-CD 3.46Å; P307-A361 HydrophobicContact CB-CB 3.95Å; P307-M362 HydrophobicContact CB-SD 3.96Å; P307-M362 HydrophobicContact CG-SD 3.58Å; P307-M362 VanDerWaalsContact CG-SD 3.58Å; P307-T365 HydrophobicContact CG-CG2 3.67Å
308N94.1Very high95.1Very high137 Ų13766.8 Ų66.873%0.73333%0.331SS*.THydrogen-bonded Turntrans-95.9-15.3178.2-55.1-61.5000112.7D306 Q310D306-N308 PolarHBondContact O-N 3.26Å; D306-N308 VanDerWaalsContact O-N 3.11Å; D306-N308 WeakPolarHBondContact OD1-CB 3.06Å; D306-N308 PolarHBondContact OD1-N 3.21Å; D306-N308 PolarHBondContact OD1-ND2 3.27Å; N308-Q310 PolarHBondContact O-N 2.85Å
309D95.5Very high95.2Very high57 Ų5763.4 Ų63.431%0.30532%0.315SS..  trans-73.3115.4178.1-176.3-17.4000110.4D306 A311 Q312 R313D306-D309 HydrophobicContact CB-CB 3.94Å; D306-D309 PolarHBondContact O-N 2.94Å; D306-D309 VanDerWaalsContact O-N 3.16Å; D309-A311 VanDerWaalsContact C-N 3.34Å; D309-A311 PolarHBondContact O-N 3.06Å; D309-A311 WeakPolarHBondContact OD1-CB 3.39Å; D309-A311 PolarHBondContact OD1-N 3.18Å; D309-Q312 HydrophobicContact CB-CB 4.27Å; D309-Q312 HydrophobicContact CB-CG 4.08Å; D309-Q312 PolarHBondContact O-N 3.46Å; D309-Q312 WeakPolarHBondContact OD2-CG 3.39Å; D309-Q312 PolarHBondContact OD2-NE2 3.36Å; D309-R313 VanDerWaalsContact O-CG 3.27Å; D309-R313 WeakPolarHBondContact O-CG 3.48Å; D309-R313 PolarHBondContact O-N 3.49Å
310Q93.9Very high95.4Very high108 Ų10857.6 Ų57.651%0.50529%0.288SS..Hα-helixtrans-63.8-38.3-178.9-171.95946.700112.3N308 Q312 R313 D314N308-Q310 PolarHBondContact O-N 2.85Å; Q310-Q312 VanDerWaalsContact C-N 3.31Å; Q310-Q312 PolarHBondContact O-N 2.94Å; Q310-R313 PolarHBondContact O-N 2.91Å; Q310-D314 PolarHBondContact NE2-OD1 3.02Å; Q310-D314 PolarHBondContact O-N 3.09Å
311A95.3Very high95.3Very high64 Ų6458.6 Ų58.653%0.52929%0.292SS..Hα-helixtrans-65.2-37.8-177.700000111.5D309 D314D309-A311 VanDerWaalsContact C-N 3.34Å; D309-A311 PolarHBondContact O-N 3.06Å; D309-A311 WeakPolarHBondContact OD1-CB 3.39Å; D309-A311 PolarHBondContact OD1-N 3.18Å; A311-D314 PolarHBondContact O-N 3.39Å
312Q93.8Very high95.1Very high39 Ų3958 Ų5818%0.18229%0.289CS..Hα-helixtrans-69.7-39.2175.8-62.6178.737.900111.3M305 D309 Q310 D314 I315 M371M305-Q312 HydrophobicContact CE-CB 3.5Å; M305-Q312 VanDerWaalsContact CE-CB 3.5Å; M305-Q312 VanDerWaalsContact CE-O 3.28Å; M305-Q312 WeakPolarHBondContact CE-O 3.15Å; M305-Q312 HydrophobicContact CG-CB 4.2Å; D309-Q312 HydrophobicContact CB-CB 4.27Å; D309-Q312 HydrophobicContact CB-CG 4.08Å; D309-Q312 PolarHBondContact O-N 3.46Å; D309-Q312 WeakPolarHBondContact OD2-CG 3.39Å; D309-Q312 PolarHBondContact OD2-NE2 3.36Å; Q310-Q312 VanDerWaalsContact C-N 3.31Å; Q310-Q312 PolarHBondContact O-N 2.94Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; Q312-D314 PolarHBondContact O-N 3.07Å; Q312-I315 WeakPolarHBondContact O-CB 3.41Å; Q312-I315 PolarHBondContact O-N 3.21Å; Q312-M371 HydrophobicContact CB-CE 4.47Å; Q312-M371 HydrophobicContact CG-CE 4.11Å
313R93.8Very high94.9Very high104 Ų10453.7 Ų53.739%0.39227%0.268SS..Hα-helixtrans-65.1-33.8175.6-66.7172.174.8176.33.6112.5M305 P307 D309 Q310 I315 I316 F317M305-R313 HydrophobicContact CE-CG 4.39Å; P307-R313 WeakPolarHBondContact O-CD 3.46Å; D309-R313 VanDerWaalsContact O-CG 3.27Å; D309-R313 WeakPolarHBondContact O-CG 3.48Å; D309-R313 PolarHBondContact O-N 3.49Å; Q310-R313 PolarHBondContact O-N 2.91Å; R313-I315 PolarHBondContact O-N 3.05Å; R313-I316 PolarHBondContact O-N 3.38Å; R313-I316 VanDerWaalsContact O-N 3.12Å; R313-F317 PolarHBondContact O-N 3.32Å
314D94.9Very high94.6Very high78 Ų7853.3 Ų53.342%0.41726%0.262SS..Hα-helixtrans-62.5-28.8176.6-68.5-19.1000111.7Q310 A311 Q312 F317 E318Q310-D314 PolarHBondContact NE2-OD1 3.02Å; Q310-D314 PolarHBondContact O-N 3.09Å; A311-D314 PolarHBondContact O-N 3.39Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; Q312-D314 PolarHBondContact O-N 3.07Å; D314-F317 PolarHBondContact O-N 3.36Å; D314-E318 WeakPolarHBondContact O-CB 3.33Å; D314-E318 PolarHBondContact O-N 3.39Å
315I96.5Very high93.8Very high44 Ų4450.5 Ų50.523%0.22625%0.253CS..Hα-helixtrans-65.8-45173.2-56.4169.9000110.9Q312 R313 F317 E318 L319 L374 L378Q312-I315 WeakPolarHBondContact O-CB 3.41Å; Q312-I315 PolarHBondContact O-N 3.21Å; R313-I315 PolarHBondContact O-N 3.05Å; I315-F317 VanDerWaalsContact C-N 3.31Å; I315-F317 PolarHBondContact O-N 3.39Å; I315-E318 WeakPolarHBondContact O-CB 3.35Å; I315-E318 PolarHBondContact O-N 3.38Å; I315-L319 PolarHBondContact O-N 3.42Å; I315-L374 HydrophobicContact CB-CD2 4.13Å; I315-L374 HydrophobicContact CD1-CD2 4.35Å; I315-L374 HydrophobicContact CG2-CD1 3.99Å; I315-L374 HydrophobicContact CG2-CD2 3.96Å; I315-L374 HydrophobicContact CG2-CG 3.84Å; I315-L378 HydrophobicContact CG2-CB 4.47Å; I315-L378 HydrophobicContact CG2-CD1 4.24Å; I315-L378 HydrophobicContact CG2-CD2 3.91Å; I315-L378 HydrophobicContact CG2-CG 4.43Å
316I95.7Very high92.1Very high4 Ų453.3 Ų53.32%0.02128%0.278CS..Hα-helixtrans-66.2-37.7176-56.9178.4000110.6M305 R313 E318 L319 R320 Y349 F354 P360 A361 F364 L374M305-I316 HydrophobicContact CE-CD1 3.52Å; M305-I316 HydrophobicContact CE-CG1 4.07Å; M305-I316 HydrophobicContact SD-CD1 3.77Å; R313-I316 PolarHBondContact O-N 3.38Å; R313-I316 VanDerWaalsContact O-N 3.12Å; I316-E318 VanDerWaalsContact C-N 3.32Å; I316-E318 PolarHBondContact O-N 3.26Å; I316-L319 WeakPolarHBondContact O-CB 3.48Å; I316-L319 PolarHBondContact O-N 3.05Å; I316-R320 PolarHBondContact O-N 2.93Å; I316-R320 VanDerWaalsContact O-N 3.08Å; I316-Y349 HydrophobicContact CG2-CD1 4.33Å; I316-Y349 HydrophobicContact CG2-CE1 3.75Å; I316-F354 HydrophobicContact CG2-CE2 4.28Å; I316-F354 HydrophobicContact CG2-CZ 4.27Å; I316-P360 HydrophobicContact CD1-CB 4.46Å; I316-P360 HydrophobicContact CD1-CG 4.32Å; I316-P360 HydrophobicContact CG2-CB 4.29Å; I316-P360 HydrophobicContact CG2-CG 3.78Å; I316-A361 HydrophobicContact CD1-CB 4.12Å; I316-F364 HydrophobicContact CD1-CD2 3.93Å; I316-F364 HydrophobicContact CD1-CE2 3.71Å; I316-F364 HydrophobicContact CG1-CE2 4.21Å; I316-L374 HydrophobicContact CG1-CD1 3.79Å; I316-L374 HydrophobicContact CG1-CD2 4.36Å
317F93.9Very high89.9Confident68 Ų6857.4 Ų57.430%0.29829%0.294SS..Hα-helixtrans-61.7-41.3173.9-175.7-93.8000111.7R313 D314 I315 R320 R321 Y345R313-F317 PolarHBondContact O-N 3.32Å; D314-F317 PolarHBondContact O-N 3.36Å; I315-F317 VanDerWaalsContact C-N 3.31Å; I315-F317 PolarHBondContact O-N 3.39Å; F317-R320 WeakPolarHBondContact O-CB 3.31Å; F317-R320 PolarHBondContact O-N 3.03Å; F317-R321 WeakPolarHBondContact O-CB 3.37Å; F317-R321 PolarHBondContact O-N 3.39Å; F317-Y345 AromaticContact CE2-CE1 3.95Å; F317-Y345 HydrophobicContact CE2-CE1 3.95Å; F317-Y345 HydrophobicContact CE2-CE2 4.32Å; F317-Y345 AromaticContact CE2-CZ 3.81Å
318E95.4Very high87.6Confident40 Ų4062 Ų6219%0.18733%0.327CS..Hα-helixtrans-63.9-40.9176.2-179.762.5-175.900112.1D314 I315 I316 R320 R321 I322 K382D314-E318 WeakPolarHBondContact O-CB 3.33Å; D314-E318 PolarHBondContact O-N 3.39Å; I315-E318 WeakPolarHBondContact O-CB 3.35Å; I315-E318 PolarHBondContact O-N 3.38Å; I316-E318 VanDerWaalsContact C-N 3.32Å; I316-E318 PolarHBondContact O-N 3.26Å; E318-R320 VanDerWaalsContact C-N 3.32Å; E318-R320 PolarHBondContact O-N 2.99Å; E318-R321 PolarHBondContact O-N 3.35Å; E318-R321 IonicContact OE1-CZ 3.32Å; E318-R321 IonicContact OE1-NE 2.74Å; E318-R321 IonicContact OE1-NH2 3.72Å; E318-R321 PolarHBondContact OE1-NH2 2.88Å; E318-R321 IonicContact OE2-CZ 2.74Å; E318-R321 IonicContact OE2-NE 3.63Å; E318-R321 PolarHBondContact OE2-NE 2.97Å; E318-R321 IonicContact OE2-NH2 3.69Å; E318-R321 PolarHBondContact OE2-NH2 2.82Å; E318-I322 HydrophobicContact CG-CD1 4.01Å; E318-I322 VanDerWaalsContact O-CG1 3.3Å; E318-I322 WeakPolarHBondContact O-CG1 3.38Å; E318-I322 PolarHBondContact O-N 2.81Å; E318-K382 IonicContact OE1-NZ 2.85Å; E318-K382 PolarHBondContact OE1-NZ 3.35Å
319L95.5Very high85.2Confident1 Ų161.2 Ų61.21%0.00532%0.323CS..Hα-helixtrans-56.6-46.9172.5-73.2177.2000111.7I315 I316 A323 L374 M377 L378 A381 Y388I315-L319 PolarHBondContact O-N 3.42Å; I316-L319 WeakPolarHBondContact O-CB 3.48Å; I316-L319 PolarHBondContact O-N 3.05Å; L319-A323 PolarHBondContact O-N 2.89Å; L319-L374 HydrophobicContact CD1-CD1 3.65Å; L319-M377 HydrophobicContact CD1-CB 3.79Å; L319-M377 HydrophobicContact CD1-SD 4.14Å; L319-M377 HydrophobicContact CD2-CB 4.14Å; L319-L378 HydrophobicContact CD2-CB 4.41Å; L319-L378 HydrophobicContact CD2-CD1 4.26Å; L319-A381 HydrophobicContact CD2-CB 3.62Å; L319-Y388 VanDerWaalsContact C-OH 3.29Å; L319-Y388 WeakPolarHBondContact O-CE1 3.37Å; L319-Y388 PolarHBondContact O-OH 2.82Å
320R94.6Very high82.9Confident4 Ų464.1 Ų64.12%0.01534%0.344CS..Hα-helixtrans-60.3-49.4175.3177.6-159.5158.9-90.2-21.9111.2I316 F317 E318 I322 A323 F324 D325 Y345 D348 Y349 L352I316-R320 PolarHBondContact O-N 2.93Å; I316-R320 VanDerWaalsContact O-N 3.08Å; F317-R320 WeakPolarHBondContact O-CB 3.31Å; F317-R320 PolarHBondContact O-N 3.03Å; E318-R320 VanDerWaalsContact C-N 3.32Å; E318-R320 PolarHBondContact O-N 2.99Å; R320-I322 VanDerWaalsContact C-N 3.31Å; R320-I322 PolarHBondContact O-N 3.44Å; R320-A323 PolarHBondContact O-N 2.99Å; R320-A323 VanDerWaalsContact O-N 3.09Å; R320-F324 HydrophobicContact CG-CD2 3.8Å; R320-F324 HydrophobicContact CG-CE2 4.31Å; R320-F324 PolarHBondContact O-N 2.87Å; R320-D325 IonicContact NH1-OD2 2.79Å; R320-D325 IonicContact NH2-OD1 3.45Å; R320-D325 PolarHBondContact NH2-OD1 2.78Å; R320-Y345 VanDerWaalsContact CZ-CE1 3.46Å; R320-Y345 VanDerWaalsContact NH1-CE1 3.26Å; R320-D348 HydrophobicContact CG-CB 3.95Å; R320-D348 IonicContact CZ-OD2 3.08Å; R320-D348 IonicContact NE-OD2 2.69Å; R320-D348 PolarHBondContact NE-OD2 2.95Å; R320-D348 IonicContact NH2-OD2 2.69Å; R320-D348 PolarHBondContact NH2-OD2 2.67Å; R320-Y349 HydrophobicContact CB-CE1 3.95Å; R320-Y349 HydrophobicContact CG-CE1 4.34Å; R320-L352 HydrophobicContact CB-CD1 3.89Å; R320-L352 HydrophobicContact CG-CD1 4.23Å
321R93.4Very high80.7Confident98 Ų9862.1 Ų62.137%0.3734%0.342SS..Hα-helixtrans-57.9-44.7-178-167.9-167.267.973.61.7111.1F317 E318 A323 D325F317-R321 WeakPolarHBondContact O-CB 3.37Å; F317-R321 PolarHBondContact O-N 3.39Å; E318-R321 PolarHBondContact O-N 3.35Å; E318-R321 IonicContact OE1-CZ 3.32Å; E318-R321 IonicContact OE1-NE 2.74Å; E318-R321 IonicContact OE1-NH2 3.72Å; E318-R321 PolarHBondContact OE1-NH2 2.88Å; E318-R321 IonicContact OE2-CZ 2.74Å; E318-R321 IonicContact OE2-NE 3.63Å; E318-R321 PolarHBondContact OE2-NE 2.97Å; E318-R321 IonicContact OE2-NH2 3.69Å; E318-R321 PolarHBondContact OE2-NH2 2.82Å; R321-A323 VanDerWaalsContact C-N 3.29Å; R321-A323 PolarHBondContact O-N 2.87Å; R321-D325 HydrophobicContact CG-CB 3.98Å; R321-D325 WeakPolarHBondContact CG-OD2 3.46Å; R321-D325 WeakPolarHBondContact O-CA 3.4Å; R321-D325 VanDerWaalsContact O-CB 3.31Å; R321-D325 WeakPolarHBondContact O-CB 3.43Å; R321-D325 PolarHBondContact O-N 2.84Å
322I94.1Very high78.6Confident3 Ų364.7 Ų64.72%0.01535%0.347CS..Hα-helixtrans-61.6-38.7177.4-69166.8000111.5E318 R320 A381 K382 Q385 Y388 I389E318-I322 HydrophobicContact CG-CD1 4.01Å; E318-I322 VanDerWaalsContact O-CG1 3.3Å; E318-I322 WeakPolarHBondContact O-CG1 3.38Å; E318-I322 PolarHBondContact O-N 2.81Å; R320-I322 VanDerWaalsContact C-N 3.31Å; R320-I322 PolarHBondContact O-N 3.44Å; I322-A381 HydrophobicContact CD1-CB 4.02Å; I322-A381 HydrophobicContact CG2-CB 4.39Å; I322-K382 HydrophobicContact CD1-CD 4.06Å; I322-Q385 HydrophobicContact CG2-CG 3.9Å; I322-Y388 HydrophobicContact CB-CE1 4.08Å; I322-Y388 HydrophobicContact CG2-CD1 3.72Å; I322-Y388 HydrophobicContact CG2-CE1 3.75Å; I322-I389 HydrophobicContact CG2-CD1 4.46Å; I322-I389 HydrophobicContact CG2-CG1 4.33Å
323A90.9Very high76.5Confident3 Ų367.6 Ų67.63%0.02537%0.367CS..Hα-helixtrans-75.4-41.8-176.500000113.9L319 R320 R321 L352 Y388 V392L319-A323 PolarHBondContact O-N 2.89Å; R320-A323 PolarHBondContact O-N 2.99Å; R320-A323 VanDerWaalsContact O-N 3.09Å; R321-A323 VanDerWaalsContact C-N 3.29Å; R321-A323 PolarHBondContact O-N 2.87Å; A323-L352 HydrophobicContact CB-CD2 4.28Å; A323-Y388 HydrophobicContact CB-CE1 3.8Å; A323-V392 HydrophobicContact CB-CB 4.26Å; A323-V392 HydrophobicContact CB-CG1 3.87Å; A323-V392 HydrophobicContact CB-CG2 4.39Å
324F88.9Confident74.2Confident39 Ų3969 Ų6917%0.17139%0.39CS..Hα-helixtrans-113.7-21.3-168-58.9-58.2000114.9R320 D348 M351 L352 V392 L393R320-F324 HydrophobicContact CG-CD2 3.8Å; R320-F324 HydrophobicContact CG-CE2 4.31Å; R320-F324 PolarHBondContact O-N 2.87Å; F324-D348 HydrophobicContact CD2-CB 3.83Å; F324-D348 HydrophobicContact CE2-CB 3.74Å; F324-D348 WeakPolarHBondContact CE2-O 3.47Å; F324-M351 HydrophobicContact CE1-CB 4.35Å; F324-M351 HydrophobicContact CE1-CE 4.17Å; F324-M351 HydrophobicContact CZ-CB 3.76Å; F324-M351 HydrophobicContact CZ-CE 4.18Å; F324-L352 HydrophobicContact CE2-CD1 3.78Å; F324-L352 HydrophobicContact CE2-CD2 4.29Å; F324-L352 HydrophobicContact CE2-CG 3.62Å; F324-L352 HydrophobicContact CZ-CD2 4.44Å; F324-L352 HydrophobicContact CZ-CG 3.94Å; F324-V392 HydrophobicContact CE1-CG1 3.91Å; F324-V392 HydrophobicContact CZ-CG1 3.79Å; F324-L393 HydrophobicContact CD1-CD2 4.11Å; F324-L393 HydrophobicContact CE1-CD2 4.22Å
325D82.2Confident72.3Confident69 Ų6968.7 Ų68.737%0.36941%0.405SS..SBendtrans-98.79.4-176.8-55.6-15.5000111.9R320 R321R320-D325 IonicContact NH1-OD2 2.79Å; R320-D325 IonicContact NH2-OD1 3.45Å; R320-D325 PolarHBondContact NH2-OD1 2.78Å; R321-D325 HydrophobicContact CG-CB 3.98Å; R321-D325 WeakPolarHBondContact CG-OD2 3.46Å; R321-D325 WeakPolarHBondContact O-CA 3.4Å; R321-D325 VanDerWaalsContact O-CB 3.31Å; R321-D325 WeakPolarHBondContact O-CB 3.43Å; R321-D325 PolarHBondContact O-N 2.84Å
326A61.9Low70.4Confident65 Ų6568.9 Ų68.954%0.53741%0.41SS..SBendtrans-77.4-24.2177.400000113.3I389A326-I389 HydrophobicContact CB-CD1 4.16Å
327E48.8Very low68.6Low161 Ų16170.6 Ų70.675%0.75243%0.429SS*.SBendtrans-112112.5171.2-68.2-174169.900108.2D329E327-D329 PolarHBondContact O-N 3.22Å
328S45.4Very low67.4Low115 Ų11572 Ų7280%0.80444%0.443SS*.  trans-46.8122.6-174.145.20000115
329D44.3Very low66.1Low122 Ų12277.9 Ų77.965%0.65247%0.471SS*.  trans-108115.7154.4-156.219.4000109E327 S331E327-D329 PolarHBondContact O-N 3.22Å; D329-S331 PolarHBondContact O-N 2.97Å; D329-S331 PolarHBondContact OD2-OG 2.63Å
330P47.1Very low65.1Low117 Ų11785.1 Ų85.176%0.7650%0.503SS*.THydrogen-bonded Turntrans-66.98.8-176.6-17.129.7000114.9
331S48.9Very low64.2Low66 Ų6690 Ų9046%0.46252%0.521SS..THydrogen-bonded Turntrans-90-0.8-165.161.80000114.6D329 V333D329-S331 PolarHBondContact O-N 2.97Å; D329-S331 PolarHBondContact OD2-OG 2.63Å; S331-V333 PolarHBondContact O-N 3.09Å
332N50Low63.5Low118 Ų11892.3 Ų92.363%0.63153%0.533SS*.  trans-75.254.3170.5-87.5-24.5000112.1
333V50.6Low63Low100 Ų10095.1 Ų95.161%0.60656%0.558SS**  trans-69.6129.3167.6-173.40000107.9S331 G335 S336S331-V333 PolarHBondContact O-N 3.09Å; V333-G335 VanDerWaalsContact C-N 3.29Å; V333-G335 PolarHBondContact O-N 3Å; V333-S336 PolarHBondContact O-N 3.19Å
334P45.8Very low62.8Low135 Ų13598.3 Ų98.388%0.87757%0.573SS**THydrogen-bonded Turntrans-66.591.2175.521.3-22.6000109
335G53.9Low62.7Low70 Ų7099.3 Ų99.372%0.72258%0.576SS**THydrogen-bonded Turntrans169-15.1-172.700000114.8V333 G337V333-G335 VanDerWaalsContact C-N 3.29Å; V333-G335 PolarHBondContact O-N 3Å; G335-G337 PolarHBondContact O-N 3.43Å
336S57.3Low63Low48 Ų4898.3 Ų98.334%0.33657%0.572SS.*  trans-67.8120.2173-169.90000111.1V333 R341V333-S336 PolarHBondContact O-N 3.19Å; S336-R341 PolarHBondContact O-NE 3.27Å; S336-R341 PolarHBondContact O-NH2 3.27Å
337G58.8Low64.3Low41 Ų41101.7 Ų101.742%0.42358%0.575SS.*  trans-51.2145-178.100000112.8G335 E339 K340 R341G335-G337 PolarHBondContact O-N 3.43Å; G337-E339 PolarHBondContact O-N 2.84Å; G337-E339 VanDerWaalsContact O-N 3.09Å; G337-K340 PolarHBondContact O-N 3.45Å; G337-R341 PolarHBondContact O-N 3.27Å
338T67.1Low66.3Low97 Ų9794.7 Ų94.760%0.59554%0.542SS*.Hα-helixtrans-52.6-32.1-178.139.50000113.3K342T338-K342 WeakPolarHBondContact O-CG 3.3Å; T338-K342 PolarHBondContact O-N 3.44Å; T338-K342 VanDerWaalsContact O-N 3.16Å
339E69.1Low68.6Low163 Ų16390.5 Ų90.576%0.76251%0.509SS*.Hα-helixtrans-69.9-39.1176.7-66.4-178.1163.500113.3G337 R341 K342 A343G337-E339 PolarHBondContact O-N 2.84Å; G337-E339 VanDerWaalsContact O-N 3.09Å; E339-R341 VanDerWaalsContact C-N 3.35Å; E339-R341 PolarHBondContact O-N 2.87Å; E339-K342 PolarHBondContact O-N 3.16Å; E339-A343 PolarHBondContact O-N 3.21Å
340K74.8Confident70.9Confident154 Ų15490.8 Ų90.867%0.6750%0.504SS*.Hα-helixtrans-65.1-39.3177.3-71.3-172.2177.9-176.60111.5G337 A343 M344G337-K340 PolarHBondContact O-N 3.45Å; K340-A343 PolarHBondContact O-N 3.38Å; K340-M344 PolarHBondContact O-N 3.32Å; K340-M344 VanDerWaalsContact O-N 3.08Å
341R76Confident73Confident105 Ų10587.8 Ų87.840%0.39648%0.481SS..Hα-helixtrans-65.9-43.2174.8-83.5-177-80163.5-5.9112.6S336 G337 E339 A343 M344 Y345S336-R341 PolarHBondContact O-NE 3.27Å; S336-R341 PolarHBondContact O-NH2 3.27Å; G337-R341 PolarHBondContact O-N 3.27Å; E339-R341 VanDerWaalsContact C-N 3.35Å; E339-R341 PolarHBondContact O-N 2.87Å; R341-A343 VanDerWaalsContact C-N 3.35Å; R341-A343 PolarHBondContact O-N 2.8Å; R341-M344 WeakPolarHBondContact O-CB 3.49Å; R341-M344 PolarHBondContact O-N 2.92Å; R341-Y345 HydrophobicContact CB-CE2 4.29Å; R341-Y345 WeakPolarHBondContact O-CD2 3.3Å; R341-Y345 VanDerWaalsContact O-CG 3.24Å; R341-Y345 PolarHBondContact O-N 3.15Å
342K77.9Confident75.1Confident147 Ų14784.6 Ų84.664%0.63946%0.459SS*.Hα-helixtrans-61.7-41.2175.6-76.4-178.9178.7-176.80112.5T338 E339 Y345 T346T338-K342 WeakPolarHBondContact O-CG 3.3Å; T338-K342 PolarHBondContact O-N 3.44Å; T338-K342 VanDerWaalsContact O-N 3.16Å; E339-K342 PolarHBondContact O-N 3.16Å; K342-Y345 PolarHBondContact O-N 2.76Å; K342-T346 PolarHBondContact O-N 3.25Å; K342-T346 PolarHBondContact O-OG1 2.91Å
343A82.8Confident77.2Confident63 Ų6379.4 Ų79.452%0.52143%0.433SS..Hα-helixtrans-63.4-41.7176.200000112.1E339 K340 R341 T346 K347E339-A343 PolarHBondContact O-N 3.21Å; K340-A343 PolarHBondContact O-N 3.38Å; R341-A343 VanDerWaalsContact C-N 3.35Å; R341-A343 PolarHBondContact O-N 2.8Å; A343-T346 PolarHBondContact O-N 2.94Å; A343-K347 PolarHBondContact O-N 3.31Å
344M86.3Confident79.3Confident69 Ų6974.9 Ų74.934%0.3441%0.406SS..Hα-helixtrans-60.2-50.5174.1-173.4-17978.700111.5K340 R341 T346 K347 D348K340-M344 PolarHBondContact O-N 3.32Å; K340-M344 VanDerWaalsContact O-N 3.08Å; R341-M344 WeakPolarHBondContact O-CB 3.49Å; R341-M344 PolarHBondContact O-N 2.92Å; M344-T346 VanDerWaalsContact C-N 3.3Å; M344-T346 PolarHBondContact O-N 2.86Å; M344-K347 WeakPolarHBondContact O-CB 3.02Å; M344-K347 PolarHBondContact O-N 2.83Å; M344-K347 VanDerWaalsContact O-N 3.08Å; M344-D348 VanDerWaalsContact O-CG 3.24Å; M344-D348 PolarHBondContact O-N 3.28Å
345Y87.1Confident81.6Confident61 Ų6173 Ų7324%0.23939%0.391CS..Hα-helixtrans-60.3-39.8178.7-59.6-26.1000112.7F317 R320 R341 K342 K347 D348 Y349F317-Y345 AromaticContact CE2-CE1 3.95Å; F317-Y345 HydrophobicContact CE2-CE1 3.95Å; F317-Y345 HydrophobicContact CE2-CE2 4.32Å; F317-Y345 AromaticContact CE2-CZ 3.81Å; R320-Y345 VanDerWaalsContact CZ-CE1 3.46Å; R320-Y345 VanDerWaalsContact NH1-CE1 3.26Å; R341-Y345 HydrophobicContact CB-CE2 4.29Å; R341-Y345 WeakPolarHBondContact O-CD2 3.3Å; R341-Y345 VanDerWaalsContact O-CG 3.24Å; R341-Y345 PolarHBondContact O-N 3.15Å; K342-Y345 PolarHBondContact O-N 2.76Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 3.24Å; Y345-D348 PolarHBondContact O-N 3.07Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.17Å; Y345-Y349 VanDerWaalsContact O-CG 3.31Å; Y345-Y349 PolarHBondContact O-N 3.35Å
346T88.3Confident83.4Confident48 Ų4872.2 Ų72.229%0.29437%0.371SS..Hα-helixtrans-62-40.9175.9-54.10000111.3K342 A343 M344 K350 H357 I358K342-T346 PolarHBondContact O-N 3.25Å; K342-T346 PolarHBondContact O-OG1 2.91Å; A343-T346 PolarHBondContact O-N 2.94Å; M344-T346 VanDerWaalsContact C-N 3.3Å; M344-T346 PolarHBondContact O-N 2.86Å; T346-K350 PolarHBondContact O-N 3.45Å; T346-H357 HydrophobicContact CG2-CB 4.18Å; T346-I358 HydrophobicContact CG2-CG1 4.19Å
347K89.3Confident85Confident136 Ų13672.9 Ų72.959%0.59137%0.368SS*.Hα-helixtrans-63.8-43.3174.3-173.2-172.8175.1-171.30111.1A343 M344 Y345 K350 M351A343-K347 PolarHBondContact O-N 3.31Å; M344-K347 WeakPolarHBondContact O-CB 3.02Å; M344-K347 PolarHBondContact O-N 2.83Å; M344-K347 VanDerWaalsContact O-N 3.08Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 3.24Å; K347-K350 WeakPolarHBondContact O-CB 3.31Å; K347-K350 PolarHBondContact O-N 2.88Å; K347-M351 HydrophobicContact CG-CE 4.33Å; K347-M351 HydrophobicContact CG-SD 4.5Å; K347-M351 WeakPolarHBondContact O-CG 3.27Å; K347-M351 PolarHBondContact O-N 2.94Å
348D92.2Very high86.6Confident13 Ų1377.5 Ų77.57%0.0738%0.382CS..Hα-helixtrans-67.2-38.9-179-62.6-12.3000112R320 F324 M344 Y345 K350 M351 L352R320-D348 HydrophobicContact CG-CB 3.95Å; R320-D348 IonicContact CZ-OD2 3.08Å; R320-D348 IonicContact NE-OD2 2.69Å; R320-D348 PolarHBondContact NE-OD2 2.95Å; R320-D348 IonicContact NH2-OD2 2.69Å; R320-D348 PolarHBondContact NH2-OD2 2.67Å; F324-D348 HydrophobicContact CD2-CB 3.83Å; F324-D348 HydrophobicContact CE2-CB 3.74Å; F324-D348 WeakPolarHBondContact CE2-O 3.47Å; M344-D348 VanDerWaalsContact O-CG 3.24Å; M344-D348 PolarHBondContact O-N 3.28Å; Y345-D348 PolarHBondContact O-N 3.07Å; D348-K350 VanDerWaalsContact C-N 3.31Å; D348-K350 PolarHBondContact O-N 3.4Å; D348-M351 HydrophobicContact CB-CE 4.33Å; D348-M351 CarbonylContact O-C 3.04Å; D348-M351 PolarHBondContact O-N 3.43Å; D348-M351 WeakPolarHBondContact OD1-CE 3.43Å; D348-L352 WeakPolarHBondContact O-CG 3.41Å; D348-L352 PolarHBondContact O-N 3.31Å
349Y94.3Very high87.8Confident27 Ų2774.8 Ų74.811%0.10636%0.364CS..Hα-helixtrans-68.3-31173.2-63.1-45.2000112.8I316 R320 Y345 L352 G353 F354 H357 P360I316-Y349 HydrophobicContact CG2-CD1 4.33Å; I316-Y349 HydrophobicContact CG2-CE1 3.75Å; R320-Y349 HydrophobicContact CB-CE1 3.95Å; R320-Y349 HydrophobicContact CG-CE1 4.34Å; Y345-Y349 WeakPolarHBondContact O-CD2 3.17Å; Y345-Y349 VanDerWaalsContact O-CG 3.31Å; Y345-Y349 PolarHBondContact O-N 3.35Å; Y349-L352 HydrophobicContact CD1-CD1 4.04Å; Y349-G353 PolarHBondContact O-N 3.5Å; Y349-F354 HydrophobicContact CD1-CD2 4.21Å; Y349-F354 HydrophobicContact CD1-CE2 4.24Å; Y349-F354 PolarHBondContact O-N 3.25Å; Y349-H357 WeakPolarHBondContact CB-O 3.46Å; Y349-P360 HydrophobicContact CD1-CG 3.88Å; Y349-P360 HydrophobicContact CD2-CG 3.9Å; Y349-P360 HydrophobicContact CE1-CG 4.08Å; Y349-P360 HydrophobicContact CE2-CG 4.11Å; Y349-P360 HydrophobicContact CG-CG 3.8Å
350K91.5Very high89.1Confident128 Ų12867.3 Ų67.356%0.55733%0.329SS*.Hα-helixtrans-64.5-45.7167.6-178.3174.8-178.9-172.40111.4T346 K347 D348 L352 G353 H357T346-K350 PolarHBondContact O-N 3.45Å; K347-K350 WeakPolarHBondContact O-CB 3.31Å; K347-K350 PolarHBondContact O-N 2.88Å; D348-K350 VanDerWaalsContact C-N 3.31Å; D348-K350 PolarHBondContact O-N 3.4Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 2.85Å; K350-G353 WeakPolarHBondContact O-CA 3.32Å; K350-G353 PolarHBondContact O-N 3.4Å; K350-H357 WeakPolarHBondContact CA-ND1 3.37Å; K350-H357 HydrophobicContact CB-CB 3.97Å
351M90.6Very high90.1Very high54 Ų5460 Ų6027%0.26630%0.298SS..Hα-helixtrans-65.5-31177.7-74.6-170.7-53.100113.1F324 K347 D348 G353F324-M351 HydrophobicContact CE1-CB 4.35Å; F324-M351 HydrophobicContact CE1-CE 4.17Å; F324-M351 HydrophobicContact CZ-CB 3.76Å; F324-M351 HydrophobicContact CZ-CE 4.18Å; K347-M351 HydrophobicContact CG-CE 4.33Å; K347-M351 HydrophobicContact CG-SD 4.5Å; K347-M351 WeakPolarHBondContact O-CG 3.27Å; K347-M351 PolarHBondContact O-N 2.94Å; D348-M351 HydrophobicContact CB-CE 4.33Å; D348-M351 CarbonylContact O-C 3.04Å; D348-M351 PolarHBondContact O-N 3.43Å; D348-M351 WeakPolarHBondContact OD1-CE 3.43Å; M351-G353 PolarHBondContact O-N 3.36Å
352L93.3Very high91.1Very high0 Ų058.9 Ų58.90%030%0.298CS..THydrogen-bonded Turntrans-70.6-7.8169-79.8158.4000113.1R320 A323 F324 D348 Y349 K350 F354 V392 F406 G407R320-L352 HydrophobicContact CB-CD1 3.89Å; R320-L352 HydrophobicContact CG-CD1 4.23Å; A323-L352 HydrophobicContact CB-CD2 4.28Å; F324-L352 HydrophobicContact CE2-CD1 3.78Å; F324-L352 HydrophobicContact CE2-CD2 4.29Å; F324-L352 HydrophobicContact CE2-CG 3.62Å; F324-L352 HydrophobicContact CZ-CD2 4.44Å; F324-L352 HydrophobicContact CZ-CG 3.94Å; D348-L352 WeakPolarHBondContact O-CG 3.41Å; D348-L352 PolarHBondContact O-N 3.31Å; Y349-L352 HydrophobicContact CD1-CD1 4.04Å; K350-L352 VanDerWaalsContact C-N 3.31Å; K350-L352 PolarHBondContact O-N 2.85Å; L352-F354 HydrophobicContact CB-CD2 3.79Å; L352-F354 HydrophobicContact CB-CE2 3.78Å; L352-F354 HydrophobicContact CD1-CE2 4.07Å; L352-F354 HydrophobicContact CG-CE2 4.47Å; L352-V392 HydrophobicContact CD2-CG1 3.74Å; L352-V392 HydrophobicContact CD2-CG2 3.88Å; L352-V392 HydrophobicContact CG-CG1 4.48Å; L352-F406 HydrophobicContact CD2-CD1 4.45Å; L352-F406 WeakPolarHBondContact O-CB 3.42Å; L352-F406 PolarHBondContact O-N 2.83Å; L352-G407 PolarHBondContact O-N 3.46Å
353G93.5Very high92Very high9 Ų952.9 Ų52.99%0.09327%0.273CS..THydrogen-bonded Turntrans73.228.4176.900000114.5Y349 K350 M351 G407 R408Y349-G353 PolarHBondContact O-N 3.5Å; K350-G353 WeakPolarHBondContact O-CA 3.32Å; K350-G353 PolarHBondContact O-N 3.4Å; M351-G353 PolarHBondContact O-N 3.36Å; G353-G407 PolarHBondContact O-N 3.11Å; G353-R408 PolarHBondContact O-N 3.1Å
354F95.8Very high92.7Very high5 Ų550 Ų502%0.02225%0.249CC..  trans-68.8153.7166-72-69.8000110.6I316 Y349 L352 H357 P360 F364 M377I316-F354 HydrophobicContact CG2-CE2 4.28Å; I316-F354 HydrophobicContact CG2-CZ 4.27Å; Y349-F354 HydrophobicContact CD1-CD2 4.21Å; Y349-F354 HydrophobicContact CD1-CE2 4.24Å; Y349-F354 PolarHBondContact O-N 3.25Å; L352-F354 HydrophobicContact CB-CD2 3.79Å; L352-F354 HydrophobicContact CB-CE2 3.78Å; L352-F354 HydrophobicContact CD1-CE2 4.07Å; L352-F354 HydrophobicContact CG-CE2 4.47Å; F354-H357 PolarHBondContact O-CE1 3.32Å; F354-H357 PolarHBondContact O-ND1 2.87Å; F354-P360 HydrophobicContact CB-CB 3.97Å; F354-P360 HydrophobicContact CD1-CB 3.8Å; F354-P360 HydrophobicContact CD2-CB 3.7Å; F354-P360 HydrophobicContact CE1-CB 4.22Å; F354-P360 HydrophobicContact CE2-CB 4.11Å; F354-P360 HydrophobicContact CG-CB 3.53Å; F354-P360 HydrophobicContact CZ-CB 4.36Å; F354-F364 AromaticContact CE1-CE2 3.72Å; F354-F364 HydrophobicContact CE1-CE2 3.72Å; F354-F364 AromaticContact CE1-CZ 3.72Å; F354-F364 HydrophobicContact CE1-CZ 3.72Å; F354-F364 HydrophobicContact CZ-CE2 4.36Å; F354-F364 HydrophobicContact CZ-CZ 4.35Å; F354-M377 HydrophobicContact CE1-CE 4.44Å; F354-M377 HydrophobicContact CE1-SD 4.49Å; F354-M377 HydrophobicContact CZ-SD 4.46Å
355T93.7Very high93.2Very high94 Ų9448.6 Ų48.658%0.57724%0.244SC*.SBendtrans-76.9-47.7175.5-52.80000110.1H357 D363T355-H357 PolarHBondContact O-N 3.46Å; T355-D363 WeakPolarHBondContact CB-OD2 2.85Å; T355-D363 PolarHBondContact N-OD2 3.33Å
356N92.8Very high93.5Very high55 Ų5551.4 Ų51.429%0.29426%0.26SS..  trans-92.792173.2-167.2-27.5000111.3I358 N359 P360 M362 D363N356-I358 PolarHBondContact O-N 3.5Å; N356-I358 PolarHBondContact OD1-N 2.84Å; N356-N359 WeakPolarHBondContact CB-O 3.17Å; N356-N359 CarbonylContact O-C 3.57Å; N356-N359 VanDerWaalsContact O-C 3.24Å; N356-N359 PolarHBondContact O-N 2.8Å; N356-N359 PolarHBondContact OD1-N 3.12Å; N356-P360 VanDerWaalsContact O-CA 3.24Å; N356-P360 WeakPolarHBondContact O-CA 3.28Å; N356-M362 HydrophobicContact CB-CB 4.32Å; N356-D363 WeakPolarHBondContact CB-OD1 3.36Å; N356-D363 PolarHBondContact N-OD1 2.63Å; N356-D363 VanDerWaalsContact N-OD1 3.15Å
357H90.7Very high93.7Very high61 Ų6150.8 Ų50.828%0.28226%0.256SS..SBendtrans-68.2-22.7-177.9-42.4-39.8000113.8T346 Y349 K350 F354 T355T346-H357 HydrophobicContact CG2-CB 4.18Å; Y349-H357 WeakPolarHBondContact CB-O 3.46Å; K350-H357 WeakPolarHBondContact CA-ND1 3.37Å; K350-H357 HydrophobicContact CB-CB 3.97Å; F354-H357 PolarHBondContact O-CE1 3.32Å; F354-H357 PolarHBondContact O-ND1 2.87Å; T355-H357 PolarHBondContact O-N 3.46Å
358I91.6Very high93.8Very high138 Ų13846.3 Ų46.371%0.70824%0.241SC*.SBendtrans-80.7-41.7-178.9-56.4173.8000109.8T346 N356T346-I358 HydrophobicContact CG2-CG1 4.19Å; N356-I358 PolarHBondContact O-N 3.5Å; N356-I358 PolarHBondContact OD1-N 2.84Å
359N92.9Very high94Very high40 Ų4045.8 Ų45.821%0.21424%0.238CC..  trans-139.785.1177.1-170.210.7000110.8N356 A361 M362N356-N359 WeakPolarHBondContact CB-O 3.17Å; N356-N359 CarbonylContact O-C 3.57Å; N356-N359 VanDerWaalsContact O-C 3.24Å; N356-N359 PolarHBondContact O-N 2.8Å; N356-N359 PolarHBondContact OD1-N 3.12Å; N359-A361 PolarHBondContact O-N 3.4Å; N359-A361 VanDerWaalsContact O-N 3.1Å; N359-A361 WeakPolarHBondContact OD1-CB 3.33Å; N359-M362 HydrophobicContact CB-CG 4.22Å; N359-M362 WeakPolarHBondContact O-CB 3.44Å; N359-M362 WeakPolarHBondContact O-CG 3.49Å; N359-M362 PolarHBondContact O-N 3.42Å; N359-M362 VanDerWaalsContact O-N 3.1Å
360P95.1Very high94.2Very high6 Ų644.5 Ų44.54%0.03923%0.233CC..G310 helixtrans-63.2-17.3-177.926-37.3000113.4I316 Y349 F354 N356 M362 D363 F364I316-P360 HydrophobicContact CD1-CB 4.46Å; I316-P360 HydrophobicContact CD1-CG 4.32Å; I316-P360 HydrophobicContact CG2-CB 4.29Å; I316-P360 HydrophobicContact CG2-CG 3.78Å; Y349-P360 HydrophobicContact CD1-CG 3.88Å; Y349-P360 HydrophobicContact CD2-CG 3.9Å; Y349-P360 HydrophobicContact CE1-CG 4.08Å; Y349-P360 HydrophobicContact CE2-CG 4.11Å; Y349-P360 HydrophobicContact CG-CG 3.8Å; F354-P360 HydrophobicContact CB-CB 3.97Å; F354-P360 HydrophobicContact CD1-CB 3.8Å; F354-P360 HydrophobicContact CD2-CB 3.7Å; F354-P360 HydrophobicContact CE1-CB 4.22Å; F354-P360 HydrophobicContact CE2-CB 4.11Å; F354-P360 HydrophobicContact CG-CB 3.53Å; F354-P360 HydrophobicContact CZ-CB 4.36Å; N356-P360 VanDerWaalsContact O-CA 3.24Å; N356-P360 WeakPolarHBondContact O-CA 3.28Å; P360-M362 PolarHBondContact O-N 2.96Å; P360-D363 WeakPolarHBondContact O-CB 3.48Å; P360-D363 PolarHBondContact O-N 3.26Å; P360-D363 VanDerWaalsContact O-N 3.1Å; P360-F364 WeakPolarHBondContact O-CD2 3.46Å
361A96.3Very high94.5Very high1 Ų138.7 Ų38.71%0.00821%0.208CC..G310 helixtrans-58.7-28.6174.200000112.8M305 P307 I316 N359 D363 F364M305-A361 HydrophobicContact CE-CB 3.69Å; M305-A361 HydrophobicContact CG-CB 4.46Å; M305-A361 WeakPolarHBondContact SD-CA 3.34Å; M305-A361 HydrophobicContact SD-CB 3.48Å; M305-A361 WeakPolarHBondContact SD-CB 3.43Å; P307-A361 HydrophobicContact CB-CB 3.95Å; I316-A361 HydrophobicContact CD1-CB 4.12Å; N359-A361 PolarHBondContact O-N 3.4Å; N359-A361 VanDerWaalsContact O-N 3.1Å; N359-A361 WeakPolarHBondContact OD1-CB 3.33Å; A361-D363 PolarHBondContact O-N 3.4Å; A361-F364 PolarHBondContact O-N 3.44Å
362M97.3Very high94.9Very high81 Ų8136.2 Ų36.240%0.39920%0.196SC..G310 helixtrans-61.1-31.7177.3-65.9-57.7-57.200112.6P307 N356 N359 P360 F364 T365P307-M362 HydrophobicContact CB-SD 3.96Å; P307-M362 HydrophobicContact CG-SD 3.58Å; P307-M362 VanDerWaalsContact CG-SD 3.58Å; N356-M362 HydrophobicContact CB-CB 4.32Å; N359-M362 HydrophobicContact CB-CG 4.22Å; N359-M362 WeakPolarHBondContact O-CB 3.44Å; N359-M362 WeakPolarHBondContact O-CG 3.49Å; N359-M362 PolarHBondContact O-N 3.42Å; N359-M362 VanDerWaalsContact O-N 3.1Å; P360-M362 PolarHBondContact O-N 2.96Å; M362-F364 PolarHBondContact O-N 3.28Å; M362-T365 HydrophobicContact CE-CG2 4.49Å; M362-T365 WeakPolarHBondContact O-CB 3.5Å; M362-T365 PolarHBondContact O-N 2.92Å; M362-T365 PolarHBondContact O-OG1 3.45Å
363D96.4Very high95.1Very high22 Ų2236.2 Ų36.212%0.11820%0.196CC..G310 helixtrans-67.4-24.4-178.8-668.6000111.6T355 N356 P360 A361 I411T355-D363 WeakPolarHBondContact CB-OD2 2.85Å; T355-D363 PolarHBondContact N-OD2 3.33Å; N356-D363 WeakPolarHBondContact CB-OD1 3.36Å; N356-D363 PolarHBondContact N-OD1 2.63Å; N356-D363 VanDerWaalsContact N-OD1 3.15Å; P360-D363 WeakPolarHBondContact O-CB 3.48Å; P360-D363 PolarHBondContact O-N 3.26Å; P360-D363 VanDerWaalsContact O-N 3.1Å; A361-D363 PolarHBondContact O-N 3.4Å; D363-I411 HydrophobicContact CB-CD1 3.64Å
364F98Very high95.3Very high1 Ų135.8 Ų35.80%0.00419%0.191CC..G310 helixtrans-93.74.4178.3-57.1-79.5000113.6M305 I316 F354 P360 A361 M362 Q366 A373 L374 M377 I411M305-F364 HydrophobicContact CB-CB 3.59Å; M305-F364 HydrophobicContact CG-CB 4.33Å; M305-F364 PolarHBondContact N-O 3.01Å; M305-F364 HydrophobicContact SD-CB 3.89Å; M305-F364 HydrophobicContact SD-CD2 3.81Å; M305-F364 HydrophobicContact SD-CG 4.19Å; I316-F364 HydrophobicContact CD1-CD2 3.93Å; I316-F364 HydrophobicContact CD1-CE2 3.71Å; I316-F364 HydrophobicContact CG1-CE2 4.21Å; F354-F364 AromaticContact CE1-CE2 3.72Å; F354-F364 HydrophobicContact CE1-CE2 3.72Å; F354-F364 AromaticContact CE1-CZ 3.72Å; F354-F364 HydrophobicContact CE1-CZ 3.72Å; F354-F364 HydrophobicContact CZ-CE2 4.36Å; F354-F364 HydrophobicContact CZ-CZ 4.35Å; P360-F364 WeakPolarHBondContact O-CD2 3.46Å; A361-F364 PolarHBondContact O-N 3.44Å; M362-F364 PolarHBondContact O-N 3.28Å; F364-Q366 VanDerWaalsContact C-N 3.28Å; F364-A373 HydrophobicContact CD1-CB 4.27Å; F364-A373 HydrophobicContact CE1-CB 4.05Å; F364-L374 HydrophobicContact CD1-CB 4Å; F364-L374 HydrophobicContact CE1-CB 3.8Å; F364-L374 HydrophobicContact CE1-CD1 4.28Å; F364-L374 HydrophobicContact CE2-CD1 4.17Å; F364-L374 HydrophobicContact CZ-CB 4.23Å; F364-L374 HydrophobicContact CZ-CD1 3.84Å; F364-M377 HydrophobicContact CE1-CE 3.83Å; F364-M377 HydrophobicContact CE1-SD 4.2Å; F364-M377 HydrophobicContact CZ-CE 3.8Å; F364-M377 HydrophobicContact CZ-SD 3.84Å; F364-I411 HydrophobicContact CD1-CD1 4.19Å; F364-I411 HydrophobicContact CD1-CG1 4.32Å; F364-I411 HydrophobicContact CE1-CD1 3.95Å; F364-I411 HydrophobicContact CE1-CG1 3.93Å; F364-I411 HydrophobicContact CZ-CD1 4.28Å
365T96.5Very high95.5Very high40 Ų4037.5 Ų37.525%0.24520%0.2CC..G310 helixtrans-79.9-14.2172.266.40000112.5K304 P307 M362K304-T365 WeakPolarHBondContact CD-O 3.45Å; K304-T365 WeakPolarHBondContact CE-O 3.49Å; K304-T365 VanDerWaalsContact CG-O 3.26Å; K304-T365 WeakPolarHBondContact CG-O 3.35Å; P307-T365 HydrophobicContact CG-CG2 3.67Å; M362-T365 HydrophobicContact CE-CG2 4.49Å; M362-T365 WeakPolarHBondContact O-CB 3.5Å; M362-T365 PolarHBondContact O-N 2.92Å; M362-T365 PolarHBondContact O-OG1 3.45Å
366Q93.2Very high95.7Very high121 Ų12133 Ų3357%0.56517%0.173SC*.SBendtrans-83.2129.2175.2-17517712.800110.4F364 G370F364-Q366 VanDerWaalsContact C-N 3.28Å; Q366-G370 VanDerWaalsContact O-CA 3.32Å; Q366-G370 WeakPolarHBondContact O-CA 3.4Å; Q366-G370 PolarHBondContact O-N 3.27Å
367T92.9Very high96Very high34 Ų3430.4 Ų30.421%0.20916%0.159CC..THydrogen-bonded Turntrans-124.5133175.449.70000110.1M301 M302 K304M301-T367 WeakPolarHBondContact O-CG2 3.43Å; M302-T367 WeakPolarHBondContact O-CG2 3.31Å; K304-T367 HydrophobicContact CB-CG2 4.48Å; K304-T367 WeakPolarHBondContact CE-OG1 3.36Å; K304-T367 HydrophobicContact CG-CG2 3.58Å
368P91.8Very high96.4Very high43 Ų4329.6 Ų29.628%0.27916%0.157SC..THydrogen-bonded Turncis-66.8157.5-1130.7-36.4000112.4M301 K415M301-P368 HydrophobicContact CG-CB 3.8Å; M301-P368 HydrophobicContact SD-CB 4.13Å; P368-K415 HydrophobicContact CB-CG 4.3Å; P368-K415 HydrophobicContact CG-CD 4.22Å; P368-K415 HydrophobicContact CG-CG 4Å
369P96.7Very high96.7Very high2 Ų224.4 Ų24.41%0.01313%0.128CC..THydrogen-bonded Turncis-101.813.140.7-37.8000115M301 M371 L372 A373 I411 T414 K415M301-P369 CarbonylContact C-O 3.44Å; M301-P369 VanDerWaalsContact CA-O 3.32Å; M301-P369 WeakPolarHBondContact CA-O 3.43Å; M301-P369 CarbonylContact O-C 3.58Å; M301-P369 VanDerWaalsContact O-O 3.08Å; P369-M371 PolarHBondContact O-N 3.05Å; P369-L372 WeakPolarHBondContact O-CB 3.36Å; P369-L372 PolarHBondContact O-N 2.99Å; P369-A373 HydrophobicContact CB-CB 4.22Å; P369-A373 HydrophobicContact CG-CB 3.57Å; P369-I411 HydrophobicContact CG-CG2 3.75Å; P369-I411 WeakPolarHBondContact CG-O 3.46Å; P369-T414 HydrophobicContact CB-CG2 3.52Å; P369-T414 HydrophobicContact CG-CG2 4.23Å; P369-K415 HydrophobicContact CB-CB 4.45Å
370G97.1Very high97Very high0 Ų022.5 Ų22.50%012%0.118CC..THydrogen-bonded Turntrans52.9-135.7178.300000113.8M301 T303 Q366 L372 A373M301-G370 PolarHBondContact O-N 3.41Å; T303-G370 CarbonylContact O-C 3.54Å; T303-G370 WeakPolarHBondContact O-CA 3.23Å; Q366-G370 VanDerWaalsContact O-CA 3.32Å; Q366-G370 WeakPolarHBondContact O-CA 3.4Å; Q366-G370 PolarHBondContact O-N 3.27Å; G370-L372 VanDerWaalsContact C-N 3.27Å; G370-L372 PolarHBondContact O-N 2.95Å; G370-A373 PolarHBondContact O-N 3.49Å
371M98.2Very high97.1Very high5 Ų522.2 Ų22.23%0.02512%0.116CC..Hα-helixtrans-68.2-20.1-178.9-69.1-65.7-74.600114.1R300 T303 M305 Q312 P369 A373 L374 D375R300-M371 PolarHBondContact O-N 3.31Å; T303-M371 HydrophobicContact CG2-CB 4.34Å; T303-M371 HydrophobicContact CG2-CG 3.77Å; T303-M371 WeakPolarHBondContact O-CG 3.48Å; T303-M371 PolarHBondContact O-N 3.48Å; M305-M371 VanDerWaalsContact CA-SD 3.58Å; M305-M371 HydrophobicContact CB-CG 4.47Å; M305-M371 HydrophobicContact CB-SD 3.46Å; M305-M371 WeakPolarHBondContact CB-SD 3.49Å; M305-M371 HydrophobicContact CG-SD 3.59Å; M305-M371 VanDerWaalsContact CG-SD 3.59Å; M305-M371 HydrophobicContact SD-SD 4.42Å; Q312-M371 HydrophobicContact CB-CE 4.47Å; Q312-M371 HydrophobicContact CG-CE 4.11Å; P369-M371 PolarHBondContact O-N 3.05Å; M371-A373 VanDerWaalsContact C-N 3.26Å; M371-A373 PolarHBondContact O-N 2.89Å; M371-L374 HydrophobicContact CE-CD2 3.84Å; M371-L374 WeakPolarHBondContact O-CB 3.47Å; M371-L374 PolarHBondContact O-N 3.48Å; M371-L374 HydrophobicContact SD-CD2 4.16Å; M371-D375 PolarHBondContact O-N 2.68Å
372L98.6Very high97.1Very high3 Ų327.7 Ų27.72%0.01614%0.14CC..Hα-helixtrans-60.9-34.9177.4-178.162.3000112.3L297 R300 M301 P369 G370 L374 D375 N376 T414 F445L297-L372 HydrophobicContact CB-CD1 4.46Å; L297-L372 HydrophobicContact CB-CD2 4.22Å; L297-L372 HydrophobicContact CD2-CD1 4.31Å; R300-L372 HydrophobicContact CB-CB 4.18Å; R300-L372 HydrophobicContact CB-CD1 4.33Å; R300-L372 PolarHBondContact O-N 3.47Å; R300-L372 VanDerWaalsContact O-N 3.14Å; M301-L372 HydrophobicContact CB-CB 4.44Å; M301-L372 HydrophobicContact CB-CD2 3.92Å; M301-L372 HydrophobicContact CG-CD2 4.39Å; P369-L372 WeakPolarHBondContact O-CB 3.36Å; P369-L372 PolarHBondContact O-N 2.99Å; G370-L372 VanDerWaalsContact C-N 3.27Å; G370-L372 PolarHBondContact O-N 2.95Å; L372-L374 VanDerWaalsContact C-N 3.32Å; L372-L374 PolarHBondContact O-N 3.5Å; L372-D375 PolarHBondContact O-N 3.15Å; L372-N376 WeakPolarHBondContact O-CB 3.32Å; L372-N376 PolarHBondContact O-N 3.48Å; L372-T414 HydrophobicContact CB-CG2 4.34Å; L372-T414 HydrophobicContact CD2-CG2 4Å; L372-T414 HydrophobicContact CG-CG2 3.88Å; L372-F445 HydrophobicContact CD1-CE1 4.15Å; L372-F445 HydrophobicContact CD2-CE1 4.07Å; L372-F445 HydrophobicContact CD2-CZ 4.13Å; L372-F445 HydrophobicContact CG-CE1 4.24Å
373A98.6Very high97.2Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-66.2-36.6175.100000112.1F364 P369 G370 M371 N376 M377 I411 T414F364-A373 HydrophobicContact CD1-CB 4.27Å; F364-A373 HydrophobicContact CE1-CB 4.05Å; P369-A373 HydrophobicContact CB-CB 4.22Å; P369-A373 HydrophobicContact CG-CB 3.57Å; G370-A373 PolarHBondContact O-N 3.49Å; M371-A373 VanDerWaalsContact C-N 3.26Å; M371-A373 PolarHBondContact O-N 2.89Å; A373-N376 PolarHBondContact O-N 3.41Å; A373-M377 VanDerWaalsContact O-CG 3.29Å; A373-M377 WeakPolarHBondContact O-CG 2.94Å; A373-M377 PolarHBondContact O-N 3.04Å; A373-I411 HydrophobicContact CB-CB 4.43Å; A373-I411 HydrophobicContact CB-CG1 3.95Å; A373-T414 HydrophobicContact CB-CG2 4.26Å
374L98.4Very high97.2Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-67-41.3176.2-174.162.3000110.9M305 I315 I316 L319 F364 M371 L372 N376 M377 L378M305-L374 HydrophobicContact CE-CD2 4.44Å; M305-L374 HydrophobicContact SD-CD2 4.49Å; I315-L374 HydrophobicContact CB-CD2 4.13Å; I315-L374 HydrophobicContact CD1-CD2 4.35Å; I315-L374 HydrophobicContact CG2-CD1 3.99Å; I315-L374 HydrophobicContact CG2-CD2 3.96Å; I315-L374 HydrophobicContact CG2-CG 3.84Å; I316-L374 HydrophobicContact CG1-CD1 3.79Å; I316-L374 HydrophobicContact CG1-CD2 4.36Å; L319-L374 HydrophobicContact CD1-CD1 3.65Å; F364-L374 HydrophobicContact CD1-CB 4Å; F364-L374 HydrophobicContact CE1-CB 3.8Å; F364-L374 HydrophobicContact CE1-CD1 4.28Å; F364-L374 HydrophobicContact CE2-CD1 4.17Å; F364-L374 HydrophobicContact CZ-CB 4.23Å; F364-L374 HydrophobicContact CZ-CD1 3.84Å; M371-L374 HydrophobicContact CE-CD2 3.84Å; M371-L374 WeakPolarHBondContact O-CB 3.47Å; M371-L374 PolarHBondContact O-N 3.48Å; M371-L374 HydrophobicContact SD-CD2 4.16Å; L372-L374 VanDerWaalsContact C-N 3.32Å; L372-L374 PolarHBondContact O-N 3.5Å; L374-N376 VanDerWaalsContact C-N 3.35Å; L374-N376 PolarHBondContact O-N 2.91Å; L374-M377 PolarHBondContact O-N 3.41Å; L374-L378 WeakPolarHBondContact O-CB 3.35Å; L374-L378 PolarHBondContact O-N 2.94Å
375D98.5Very high97.1Very high40 Ų4033.7 Ų33.721%0.21417%0.171CC..Hα-helixtrans-60.5-44175.3-63.2-21.2000111.2R300 M371 L372 L378 Y379R300-D375 IonicContact CZ-OD1 3.41Å; R300-D375 IonicContact CZ-OD2 3.03Å; R300-D375 IonicContact NE-OD1 3.67Å; R300-D375 IonicContact NE-OD2 2.63Å; R300-D375 PolarHBondContact NE-OD2 3.39Å; R300-D375 VanDerWaalsContact NH2-CG 3.31Å; R300-D375 IonicContact NH2-OD1 3.71Å; R300-D375 PolarHBondContact NH2-OD1 3.26Å; R300-D375 IonicContact NH2-OD2 2.75Å; R300-D375 PolarHBondContact NH2-OD2 2.86Å; M371-D375 PolarHBondContact O-N 2.68Å; L372-D375 PolarHBondContact O-N 3.15Å; D375-L378 PolarHBondContact O-N 3.33Å; D375-Y379 WeakPolarHBondContact O-CB 3.41Å; D375-Y379 PolarHBondContact O-N 3.2Å
376N98.7Very high97.1Very high0 Ų038.1 Ų38.10%019%0.193CC..Hα-helixtrans-62.6-45.5176.1-79.3-16.6000113L372 A373 L374 L378 Y379 L380 T414 F445 F449L372-N376 WeakPolarHBondContact O-CB 3.32Å; L372-N376 PolarHBondContact O-N 3.48Å; A373-N376 PolarHBondContact O-N 3.41Å; L374-N376 VanDerWaalsContact C-N 3.35Å; L374-N376 PolarHBondContact O-N 2.91Å; N376-L378 VanDerWaalsContact C-N 3.34Å; N376-Y379 PolarHBondContact O-N 3.05Å; N376-L380 PolarHBondContact O-N 2.98Å; N376-T414 VanDerWaalsContact ND2-CG2 3.27Å; N376-T414 WeakPolarHBondContact ND2-CG2 3.47Å; N376-T414 PolarHBondContact ND2-OG1 3.39Å; N376-F445 WeakPolarHBondContact ND2-CE1 3.45Å; N376-F449 HydrophobicContact CB-CD1 3.75Å; N376-F449 HydrophobicContact CB-CD2 3.96Å; N376-F449 HydrophobicContact CB-CE1 3.81Å; N376-F449 HydrophobicContact CB-CE2 4.02Å; N376-F449 HydrophobicContact CB-CG 3.83Å; N376-F449 HydrophobicContact CB-CZ 3.95Å; N376-F449 WeakPolarHBondContact O-CE1 3.04Å
377M98.6Very high97.3Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-61.6-44.1176-70175.1-163.700111L319 F354 F364 A373 L374 L380 A381 F406 G407 A410 I411L319-M377 HydrophobicContact CD1-CB 3.79Å; L319-M377 HydrophobicContact CD1-SD 4.14Å; L319-M377 HydrophobicContact CD2-CB 4.14Å; F354-M377 HydrophobicContact CE1-CE 4.44Å; F354-M377 HydrophobicContact CE1-SD 4.49Å; F354-M377 HydrophobicContact CZ-SD 4.46Å; F364-M377 HydrophobicContact CE1-CE 3.83Å; F364-M377 HydrophobicContact CE1-SD 4.2Å; F364-M377 HydrophobicContact CZ-CE 3.8Å; F364-M377 HydrophobicContact CZ-SD 3.84Å; A373-M377 VanDerWaalsContact O-CG 3.29Å; A373-M377 WeakPolarHBondContact O-CG 2.94Å; A373-M377 PolarHBondContact O-N 3.04Å; L374-M377 PolarHBondContact O-N 3.41Å; M377-L380 PolarHBondContact O-N 3.37Å; M377-A381 WeakPolarHBondContact O-CB 3.14Å; M377-A381 PolarHBondContact O-N 2.9Å; M377-F406 HydrophobicContact CB-CE1 4.48Å; M377-F406 HydrophobicContact CB-CZ 4.4Å; M377-F406 HydrophobicContact CG-CE1 3.95Å; M377-F406 HydrophobicContact CG-CZ 3.96Å; M377-F406 HydrophobicContact SD-CE1 4.07Å; M377-G407 WeakPolarHBondContact CE-O 3.47Å; M377-A410 HydrophobicContact CE-CB 3.44Å; M377-A410 VanDerWaalsContact CE-CB 3.44Å; M377-A410 HydrophobicContact CG-CB 3.88Å; M377-A410 HydrophobicContact SD-CB 4.39Å; M377-I411 HydrophobicContact CE-CD1 4.4Å; M377-I411 HydrophobicContact CE-CG1 3.74Å
378L98.3Very high97.5Very high45 Ų4532 Ų3224%0.23616%0.164CC..Hα-helixtrans-65.7-41.1179.2-174.367.1000111.5I315 L319 L374 D375 N376 A381 K382I315-L378 HydrophobicContact CG2-CB 4.47Å; I315-L378 HydrophobicContact CG2-CD1 4.24Å; I315-L378 HydrophobicContact CG2-CD2 3.91Å; I315-L378 HydrophobicContact CG2-CG 4.43Å; L319-L378 HydrophobicContact CD2-CB 4.41Å; L319-L378 HydrophobicContact CD2-CD1 4.26Å; L374-L378 WeakPolarHBondContact O-CB 3.35Å; L374-L378 PolarHBondContact O-N 2.94Å; D375-L378 PolarHBondContact O-N 3.33Å; N376-L378 VanDerWaalsContact C-N 3.34Å; L378-A381 PolarHBondContact O-N 3.28Å; L378-K382 HydrophobicContact CD1-CG 4.01Å; L378-K382 HydrophobicContact CG-CG 4.23Å; L378-K382 WeakPolarHBondContact O-CB 3.27Å; L378-K382 VanDerWaalsContact O-CG 3.32Å; L378-K382 WeakPolarHBondContact O-CG 3.05Å; L378-K382 PolarHBondContact O-N 3.16Å
379Y98.6Very high97.7Very high29 Ų2931.4 Ų31.411%0.11416%0.158CC..Hα-helixtrans-56.6-51.2173.3-175.9-86.6000110.9D375 N376 A381 K382 V383 H441 R443 E446 E447D375-Y379 WeakPolarHBondContact O-CB 3.41Å; D375-Y379 PolarHBondContact O-N 3.2Å; N376-Y379 PolarHBondContact O-N 3.05Å; Y379-A381 VanDerWaalsContact C-N 3.33Å; Y379-A381 PolarHBondContact O-N 3.12Å; Y379-K382 PolarHBondContact O-N 3.06Å; Y379-V383 HydrophobicContact CD1-CB 4.3Å; Y379-V383 HydrophobicContact CD1-CG2 4.26Å; Y379-V383 HydrophobicContact CD2-CG2 3.89Å; Y379-V383 HydrophobicContact CE1-CB 4.03Å; Y379-V383 HydrophobicContact CE1-CG1 4.16Å; Y379-V383 HydrophobicContact CE1-CG2 4.11Å; Y379-V383 HydrophobicContact CE2-CB 4.49Å; Y379-V383 HydrophobicContact CE2-CG2 3.7Å; Y379-V383 HydrophobicContact CG-CG2 4.17Å; Y379-V383 VanDerWaalsContact O-CB 3.28Å; Y379-V383 WeakPolarHBondContact O-CB 3.44Å; Y379-V383 WeakPolarHBondContact O-CG2 3.37Å; Y379-V383 PolarHBondContact O-N 3.36Å; Y379-H441 PolarHBondContact OH-CE1 2.71Å; Y379-R443 HydrophobicContact CE2-CB 3.73Å; Y379-R443 HydrophobicContact CE2-CG 3.99Å; Y379-E446 HydrophobicContact CD1-CB 3.4Å; Y379-E446 VanDerWaalsContact CD1-CB 3.4Å; Y379-E446 HydrophobicContact CD1-CG 4.31Å; Y379-E446 HydrophobicContact CD2-CB 3.79Å; Y379-E446 HydrophobicContact CD2-CG 3.98Å; Y379-E446 HydrophobicContact CE1-CB 3.57Å; Y379-E446 HydrophobicContact CE2-CB 3.97Å; Y379-E446 HydrophobicContact CE2-CG 4.43Å; Y379-E446 HydrophobicContact CG-CB 3.5Å; Y379-E446 HydrophobicContact CG-CG 3.91Å; Y379-E447 WeakPolarHBondContact CE1-OE1 3.34Å; Y379-E447 PolarHBondContact OH-OE1 2.76Å
380L98.6Very high97.6Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-58.5-45.4177.6-175.572.8000111.6N376 M377 K382 H384 Q385 T387 Y388 F406 F449 I453N376-L380 PolarHBondContact O-N 2.98Å; M377-L380 PolarHBondContact O-N 3.37Å; L380-K382 VanDerWaalsContact C-N 3.35Å; L380-K382 PolarHBondContact O-N 3.21Å; L380-H384 HydrophobicContact CD1-CB 4.1Å; L380-H384 CarbonylContact O-C 3.55Å; L380-H384 WeakPolarHBondContact O-CA 3.08Å; L380-H384 PolarHBondContact O-N 3.45Å; L380-Q385 PolarHBondContact O-N 3.15Å; L380-T387 HydrophobicContact CD1-CG2 4.35Å; L380-Y388 HydrophobicContact CD2-CD2 4.23Å; L380-F406 HydrophobicContact CD2-CE2 4.03Å; L380-F406 HydrophobicContact CD2-CZ 4.32Å; L380-F449 HydrophobicContact CB-CE1 4.22Å; L380-F449 HydrophobicContact CD2-CE1 4.28Å; L380-I453 HydrophobicContact CD1-CG2 4.37Å; L380-I453 HydrophobicContact CD2-CG2 3.88Å
381A97.8Very high97.5Very high0 Ų036.9 Ų36.90%018%0.179CC..Hα-helixtrans-67.3-31.7-178.700000113.8L319 I322 M377 L378 Y379 Q385 Y388L319-A381 HydrophobicContact CD2-CB 3.62Å; I322-A381 HydrophobicContact CD1-CB 4.02Å; I322-A381 HydrophobicContact CG2-CB 4.39Å; M377-A381 WeakPolarHBondContact O-CB 3.14Å; M377-A381 PolarHBondContact O-N 2.9Å; L378-A381 PolarHBondContact O-N 3.28Å; Y379-A381 VanDerWaalsContact C-N 3.33Å; Y379-A381 PolarHBondContact O-N 3.12Å; A381-Q385 WeakPolarHBondContact O-CA 3.14Å; A381-Q385 WeakPolarHBondContact O-CB 3.24Å; A381-Y388 HydrophobicContact CB-CD1 3.53Å; A381-Y388 HydrophobicContact CB-CD2 4.18Å; A381-Y388 HydrophobicContact CB-CE1 3.73Å; A381-Y388 HydrophobicContact CB-CE2 4.36Å; A381-Y388 HydrophobicContact CB-CG 3.76Å
382K97.2Very high97.3Very high116 Ų11636.7 Ų36.750%0.50418%0.178SC..Hα-helixtrans-91.5-39.5-178-69.4-70-177-177.30113.4E318 I322 L378 Y379 L380E318-K382 IonicContact OE1-NZ 2.85Å; E318-K382 PolarHBondContact OE1-NZ 3.35Å; I322-K382 HydrophobicContact CD1-CD 4.06Å; L378-K382 HydrophobicContact CD1-CG 4.01Å; L378-K382 HydrophobicContact CG-CG 4.23Å; L378-K382 WeakPolarHBondContact O-CB 3.27Å; L378-K382 VanDerWaalsContact O-CG 3.32Å; L378-K382 WeakPolarHBondContact O-CG 3.05Å; L378-K382 PolarHBondContact O-N 3.16Å; Y379-K382 PolarHBondContact O-N 3.06Å; L380-K382 VanDerWaalsContact C-N 3.35Å; L380-K382 PolarHBondContact O-N 3.21Å
383V97.9Very high96.9Very high77 Ų7739.2 Ų39.247%0.46719%0.191SC..Hα-helixtrans-90.8-40.6-174.7-177.90000111.3Y379Y379-V383 HydrophobicContact CD1-CB 4.3Å; Y379-V383 HydrophobicContact CD1-CG2 4.26Å; Y379-V383 HydrophobicContact CD2-CG2 3.89Å; Y379-V383 HydrophobicContact CE1-CB 4.03Å; Y379-V383 HydrophobicContact CE1-CG1 4.16Å; Y379-V383 HydrophobicContact CE1-CG2 4.11Å; Y379-V383 HydrophobicContact CE2-CB 4.49Å; Y379-V383 HydrophobicContact CE2-CG2 3.7Å; Y379-V383 HydrophobicContact CG-CG2 4.17Å; Y379-V383 VanDerWaalsContact O-CB 3.28Å; Y379-V383 WeakPolarHBondContact O-CB 3.44Å; Y379-V383 WeakPolarHBondContact O-CG2 3.37Å; Y379-V383 PolarHBondContact O-N 3.36Å
384H97.3Very high96.5Very high62 Ų6242.4 Ų42.429%0.28721%0.206SC..SBendtrans-120.351.4-179.4-62.8-72.6000110.9L380 D386 T387 Y388 E447L380-H384 HydrophobicContact CD1-CB 4.1Å; L380-H384 CarbonylContact O-C 3.55Å; L380-H384 WeakPolarHBondContact O-CA 3.08Å; L380-H384 PolarHBondContact O-N 3.45Å; H384-D386 VanDerWaalsContact C-N 3.3Å; H384-D386 PolarHBondContact O-N 3.41Å; H384-T387 WeakPolarHBondContact O-CA 3.12Å; H384-T387 WeakPolarHBondContact O-CB 3.42Å; H384-T387 PolarHBondContact O-N 3.23Å; H384-Y388 PolarHBondContact O-N 2.9Å; H384-E447 IonicContact CD2-OE1 2.74Å; H384-E447 IonicContact CE1-OE1 3.25Å; H384-E447 IonicContact CE1-OE2 2.65Å; H384-E447 IonicContact NE2-OE1 2.65Å; H384-E447 PolarHBondContact NE2-OE1 3.04Å; H384-E447 IonicContact NE2-OE2 3.33Å; H384-E447 PolarHBondContact NE2-OE2 3.12Å
385Q96.4Very high96Very high90 Ų9042.7 Ų42.742%0.42121%0.208SC..Hα-helixtrans-50.5-45.9-172.4-172.6175.541.300113I322 L380 A381 T387 Y388 I389I322-Q385 HydrophobicContact CG2-CG 3.9Å; L380-Q385 PolarHBondContact O-N 3.15Å; A381-Q385 WeakPolarHBondContact O-CA 3.14Å; A381-Q385 WeakPolarHBondContact O-CB 3.24Å; Q385-T387 VanDerWaalsContact C-N 3.29Å; Q385-T387 PolarHBondContact O-N 3.44Å; Q385-Y388 WeakPolarHBondContact O-CB 3.47Å; Q385-Y388 PolarHBondContact O-N 3.34Å; Q385-I389 HydrophobicContact CG-CD1 3.71Å; Q385-I389 HydrophobicContact CG-CG1 4.25Å; Q385-I389 WeakPolarHBondContact O-CG1 3.37Å; Q385-I389 PolarHBondContact O-N 2.88Å
386D96.4Very high95.2Very high133 Ų13341.9 Ų41.971%0.71121%0.205SC*.Hα-helixtrans-60.5-38.3178.5-64.2-18.9000112.5H384 R390H384-D386 VanDerWaalsContact C-N 3.3Å; H384-D386 PolarHBondContact O-N 3.41Å; D386-R390 WeakPolarHBondContact O-CB 3.39Å; D386-R390 PolarHBondContact O-N 3.15Å
387T96.6Very high94Very high25 Ų2546.2 Ų46.215%0.15324%0.236CC..Hα-helixtrans-69.6-43177.1-65.10000110.8L380 H384 Q385 I391 Q454L380-T387 HydrophobicContact CD1-CG2 4.35Å; H384-T387 WeakPolarHBondContact O-CA 3.12Å; H384-T387 WeakPolarHBondContact O-CB 3.42Å; H384-T387 PolarHBondContact O-N 3.23Å; Q385-T387 VanDerWaalsContact C-N 3.29Å; Q385-T387 PolarHBondContact O-N 3.44Å; T387-I391 HydrophobicContact CG2-CD1 3.81Å; T387-I391 WeakPolarHBondContact O-CB 3.49Å; T387-I391 VanDerWaalsContact O-CG1 3.25Å; T387-I391 WeakPolarHBondContact O-CG1 3.14Å; T387-I391 PolarHBondContact O-N 2.99Å; T387-Q454 HydrophobicContact CG2-CG 3.66Å
388Y97.5Very high92.6Very high1 Ų150.2 Ų50.20%0.00425%0.251CS..Hα-helixtrans-59.7-55.2175.9171.8-113.3000111.9L319 I322 A323 L380 A381 H384 Q385 R390 I391 V392 F406L319-Y388 VanDerWaalsContact C-OH 3.29Å; L319-Y388 WeakPolarHBondContact O-CE1 3.37Å; L319-Y388 PolarHBondContact O-OH 2.82Å; I322-Y388 HydrophobicContact CB-CE1 4.08Å; I322-Y388 HydrophobicContact CG2-CD1 3.72Å; I322-Y388 HydrophobicContact CG2-CE1 3.75Å; A323-Y388 HydrophobicContact CB-CE1 3.8Å; L380-Y388 HydrophobicContact CD2-CD2 4.23Å; A381-Y388 HydrophobicContact CB-CD1 3.53Å; A381-Y388 HydrophobicContact CB-CD2 4.18Å; A381-Y388 HydrophobicContact CB-CE1 3.73Å; A381-Y388 HydrophobicContact CB-CE2 4.36Å; A381-Y388 HydrophobicContact CB-CG 3.76Å; H384-Y388 PolarHBondContact O-N 2.9Å; Q385-Y388 WeakPolarHBondContact O-CB 3.47Å; Q385-Y388 PolarHBondContact O-N 3.34Å; Y388-R390 VanDerWaalsContact C-N 3.32Å; Y388-R390 PolarHBondContact O-N 3.18Å; Y388-I391 PolarHBondContact O-N 2.77Å; Y388-V392 HydrophobicContact CD2-CG2 4.01Å; Y388-V392 HydrophobicContact CE2-CG2 3.59Å; Y388-V392 WeakPolarHBondContact O-CG2 3.44Å; Y388-V392 PolarHBondContact O-N 3.19Å; Y388-F406 HydrophobicContact CD2-CE1 4.33Å; Y388-F406 HydrophobicContact CD2-CE2 4.16Å; Y388-F406 AromaticContact CD2-CZ 3.78Å; Y388-F406 HydrophobicContact CD2-CZ 3.78Å; Y388-F406 HydrophobicContact CE2-CD1 4.37Å; Y388-F406 AromaticContact CE2-CE1 3.63Å; Y388-F406 HydrophobicContact CE2-CE1 3.63Å; Y388-F406 HydrophobicContact CE2-CE2 4.24Å; Y388-F406 AromaticContact CE2-CZ 3.55Å; Y388-F406 HydrophobicContact CE2-CZ 3.55Å
389I95.2Very high91.1Very high31 Ų3157.8 Ų57.816%0.15929%0.285CS..Hα-helixtrans-57.5-48.1-179.4-68.7175.1000109.9I322 A326 Q385 I391 V392 L393I322-I389 HydrophobicContact CG2-CD1 4.46Å; I322-I389 HydrophobicContact CG2-CG1 4.33Å; A326-I389 HydrophobicContact CB-CD1 4.16Å; Q385-I389 HydrophobicContact CG-CD1 3.71Å; Q385-I389 HydrophobicContact CG-CG1 4.25Å; Q385-I389 WeakPolarHBondContact O-CG1 3.37Å; Q385-I389 PolarHBondContact O-N 2.88Å; I389-I391 PolarHBondContact O-N 2.9Å; I389-V392 PolarHBondContact O-N 3.36Å; I389-L393 HydrophobicContact CG2-CD1 3.52Å; I389-L393 HydrophobicContact CG2-CG 4.03Å; I389-L393 WeakPolarHBondContact O-CB 3.16Å; I389-L393 WeakPolarHBondContact O-CG 3.23Å; I389-L393 PolarHBondContact O-N 3.14Å
390R94.6Very high89.9Confident114 Ų11459.1 Ų59.143%0.4329%0.294SS..Hα-helixtrans-57.8-47.2178.3-178.9173.362.1103.9-0.2112.1D386 Y388 V392 E394D386-R390 WeakPolarHBondContact O-CB 3.39Å; D386-R390 PolarHBondContact O-N 3.15Å; Y388-R390 VanDerWaalsContact C-N 3.32Å; Y388-R390 PolarHBondContact O-N 3.18Å; R390-V392 PolarHBondContact O-N 3.02Å; R390-E394 HydrophobicContact CG-CG 4.16Å; R390-E394 WeakPolarHBondContact CG-OE1 3.29Å; R390-E394 IonicContact NH1-OE1 3.85Å; R390-E394 WeakPolarHBondContact O-CB 3.37Å; R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 3.49Å
391I94.9Very high89.3Confident4 Ų467.4 Ų67.42%0.02133%0.33CS..Hα-helixtrans-61.8-44.1178.5-72.7169.8000111.1T387 Y388 I389 N395 F406 I453 Q454 N457T387-I391 HydrophobicContact CG2-CD1 3.81Å; T387-I391 WeakPolarHBondContact O-CB 3.49Å; T387-I391 VanDerWaalsContact O-CG1 3.25Å; T387-I391 WeakPolarHBondContact O-CG1 3.14Å; T387-I391 PolarHBondContact O-N 2.99Å; Y388-I391 PolarHBondContact O-N 2.77Å; I389-I391 PolarHBondContact O-N 2.9Å; I391-N395 PolarHBondContact O-ND2 3.31Å; I391-F406 HydrophobicContact CG2-CD2 3.83Å; I391-F406 HydrophobicContact CG2-CE2 4.46Å; I391-I453 HydrophobicContact CD1-CG2 4.11Å; I391-Q454 HydrophobicContact CD1-CG 4.06Å; I391-N457 WeakPolarHBondContact CG2-ND2 3.06Å
392V94Very high88.9Confident1 Ų170.2 Ų70.21%0.00634%0.343CS..Hα-helixtrans-66.6-52.1-179.1175.40000110.5A323 F324 L352 Y388 I389 R390 E394 N395 S396 F406A323-V392 HydrophobicContact CB-CB 4.26Å; A323-V392 HydrophobicContact CB-CG1 3.87Å; A323-V392 HydrophobicContact CB-CG2 4.39Å; F324-V392 HydrophobicContact CE1-CG1 3.91Å; F324-V392 HydrophobicContact CZ-CG1 3.79Å; L352-V392 HydrophobicContact CD2-CG1 3.74Å; L352-V392 HydrophobicContact CD2-CG2 3.88Å; L352-V392 HydrophobicContact CG-CG1 4.48Å; Y388-V392 HydrophobicContact CD2-CG2 4.01Å; Y388-V392 HydrophobicContact CE2-CG2 3.59Å; Y388-V392 WeakPolarHBondContact O-CG2 3.44Å; Y388-V392 PolarHBondContact O-N 3.19Å; I389-V392 PolarHBondContact O-N 3.36Å; R390-V392 PolarHBondContact O-N 3.02Å; V392-E394 PolarHBondContact O-N 2.96Å; V392-N395 PolarHBondContact O-N 3.03Å; V392-N395 VanDerWaalsContact O-N 3.14Å; V392-S396 WeakPolarHBondContact O-CB 3.43Å; V392-S396 PolarHBondContact O-N 3.47Å; V392-S396 PolarHBondContact O-OG 2.94Å; V392-F406 HydrophobicContact CG2-CD1 4.36Å; V392-F406 HydrophobicContact CG2-CG 4.23Å
393L91.5Very high88.6Confident56 Ų5668.8 Ų68.829%0.29334%0.338SS..Hα-helixtrans-66.9-35.8-175.1-65.6-177.1000113.4F324 I389 N395 S396 S397F324-L393 HydrophobicContact CD1-CD2 4.11Å; F324-L393 HydrophobicContact CE1-CD2 4.22Å; I389-L393 HydrophobicContact CG2-CD1 3.52Å; I389-L393 HydrophobicContact CG2-CG 4.03Å; I389-L393 WeakPolarHBondContact O-CB 3.16Å; I389-L393 WeakPolarHBondContact O-CG 3.23Å; I389-L393 PolarHBondContact O-N 3.14Å; L393-N395 PolarHBondContact O-N 2.9Å; L393-S396 WeakPolarHBondContact CA-OG 3.35Å; L393-S396 PolarHBondContact O-OG 3.47Å; L393-S397 WeakPolarHBondContact O-CB 3.44Å; L393-S397 PolarHBondContact O-N 2.97Å; L393-S397 PolarHBondContact O-OG 3.2Å
394E90.1Very high88.4Confident66 Ų6665.3 Ų65.331%0.30832%0.317SS..Hα-helixtrans-63.1-24.4175.5-78.6178-17700112.8R390 V392 R398 K461R390-E394 HydrophobicContact CG-CG 4.16Å; R390-E394 WeakPolarHBondContact CG-OE1 3.29Å; R390-E394 IonicContact NH1-OE1 3.85Å; R390-E394 WeakPolarHBondContact O-CB 3.37Å; R390-E394 WeakPolarHBondContact O-CG 3.44Å; R390-E394 PolarHBondContact O-N 3.49Å; V392-E394 PolarHBondContact O-N 2.96Å; E394-R398 VanDerWaalsContact O-CD 3.25Å; E394-R398 WeakPolarHBondContact O-CD 3.26Å; E394-R398 WeakPolarHBondContact O-CG 3.17Å; E394-K461 IonicContact OE2-NZ 3.15Å; E394-K461 PolarHBondContact OE2-NZ 3.24Å
395N87.3Confident88.3Confident7 Ų763.5 Ų63.54%0.03731%0.311CS..Hα-helixtrans-106.7-24.6-178.4-69-72.8000113.1I391 V392 L393 E403 C404 N457I391-N395 PolarHBondContact O-ND2 3.31Å; V392-N395 PolarHBondContact O-N 3.03Å; V392-N395 VanDerWaalsContact O-N 3.14Å; L393-N395 PolarHBondContact O-N 2.9Å; N395-E403 WeakPolarHBondContact O-CB 3.46Å; N395-C404 WeakPolarHBondContact CB-O 3.41Å; N395-C404 VanDerWaalsContact OD1-CB 3.3Å; N395-C404 WeakPolarHBondContact OD1-CB 3.36Å; N395-C404 PolarHBondContact OD1-N 2.78Å; N395-N457 PolarHBondContact ND2-OD1 2.74Å
396S82.6Confident88.3Confident23 Ų2359.4 Ų59.416%0.16129%0.292CS..Hα-helixtrans-78.7-26.2177.763.10000113.8V392 L393V392-S396 WeakPolarHBondContact O-CB 3.43Å; V392-S396 PolarHBondContact O-N 3.47Å; V392-S396 PolarHBondContact O-OG 2.94Å; L393-S396 WeakPolarHBondContact CA-OG 3.35Å; L393-S396 PolarHBondContact O-OG 3.47Å
397S72.2Confident88.3Confident91 Ų9153.1 Ų53.164%0.63626%0.258SS*.SBendtrans-91.6-1.3-174-47.10000113.2L393L393-S397 WeakPolarHBondContact O-CB 3.44Å; L393-S397 PolarHBondContact O-N 2.97Å; L393-S397 PolarHBondContact O-OG 3.2Å
398R70.3Confident88.3Confident84 Ų8456.2 Ų56.232%0.31727%0.267SS..  trans-89.9124.9177.5-61.7-176.277.1-174.83.1107.9E394 D400E394-R398 VanDerWaalsContact O-CD 3.25Å; E394-R398 WeakPolarHBondContact O-CD 3.26Å; E394-R398 WeakPolarHBondContact O-CG 3.17Å; R398-D400 IonicContact CZ-OD1 2.59Å; R398-D400 IonicContact CZ-OD2 3.47Å; R398-D400 VanDerWaalsContact CZ-OD2 3.32Å; R398-D400 IonicContact NE-OD1 3.71Å; R398-D400 PolarHBondContact NE-OD1 3.5Å; R398-D400 IonicContact NE-OD2 3.29Å; R398-D400 PolarHBondContact NE-OD2 3.48Å; R398-D400 IonicContact NH2-OD1 2.74Å; R398-D400 IonicContact NH2-OD2 3.53Å; R398-D400 PolarHBondContact NH2-OD2 2.87Å
399E65.3Low88.4Confident203 Ų20356.1 Ų56.195%0.94927%0.267SS*.  trans-909.1170.5-61.3-170.4162.900111.8
400D74.7Confident88.5Confident58 Ų5854.7 Ų54.731%0.3126%0.259SS..SBendtrans-94.9159.7-179.670.624.3000111.8R398 H402R398-D400 IonicContact CZ-OD1 2.59Å; R398-D400 IonicContact CZ-OD2 3.47Å; R398-D400 VanDerWaalsContact CZ-OD2 3.32Å; R398-D400 IonicContact NE-OD1 3.71Å; R398-D400 PolarHBondContact NE-OD1 3.5Å; R398-D400 IonicContact NE-OD2 3.29Å; R398-D400 PolarHBondContact NE-OD2 3.48Å; R398-D400 IonicContact NH2-OD1 2.74Å; R398-D400 IonicContact NH2-OD2 3.53Å; R398-D400 PolarHBondContact NH2-OD2 2.87Å; D400-H402 PolarHBondContact O-N 3.27Å; D400-H402 WeakPolarHBondContact OD1-CB 3.33Å; D400-H402 PolarHBondContact OD1-N 2.98Å; D400-H402 VanDerWaalsContact OD1-N 3.1Å
401K86.2Confident88.7Confident173 Ų17349.9 Ų49.975%0.75224%0.242SC*.THydrogen-bonded Turntrans-66.35.6-178.3-61.2-177.9178.6-177.30114.2T466K401-T466 HydrophobicContact CB-CG2 4.06Å; K401-T466 VanDerWaalsContact O-CA 3.3Å; K401-T466 WeakPolarHBondContact O-CA 3.37Å; K401-T466 WeakPolarHBondContact O-CB 3.49Å; K401-T466 WeakPolarHBondContact O-CG2 3.38Å
402H89Confident88.9Confident59 Ų5952.3 Ų52.327%0.27325%0.253SS..THydrogen-bonded Turntrans-1059.5-171.8-59.7-70.4000114D400 C404 W460 R464 A465D400-H402 PolarHBondContact O-N 3.27Å; D400-H402 WeakPolarHBondContact OD1-CB 3.33Å; D400-H402 PolarHBondContact OD1-N 2.98Å; D400-H402 VanDerWaalsContact OD1-N 3.1Å; H402-C404 PolarHBondContact O-N 3.13Å; H402-W460 PolarHBondContact O-NE1 3.12Å; H402-R464 PolarHBondContact CE1-O 3.38Å; H402-R464 PolarHBondContact ND1-O 2.76Å; H402-A465 WeakPolarHBondContact CA-O 3.47Å; H402-A465 PolarHBondContact ND1-O 2.91Å
403E90.5Very high89.1Confident87 Ų8752.2 Ų52.241%0.40725%0.253SS..  trans-57.7127.8168.363.9-145.2-152.900112.1N395 W460N395-E403 WeakPolarHBondContact O-CB 3.46Å; E403-W460 WeakPolarHBondContact O-CZ2 3.26Å
404C93.2Very high89.5Confident4 Ų449.6 Ų49.63%0.02724%0.239CC..  trans-85.6120.5171.1-178.30000109.5N395 H402 F406 S409 L456 W460N395-C404 WeakPolarHBondContact CB-O 3.41Å; N395-C404 VanDerWaalsContact OD1-CB 3.3Å; N395-C404 WeakPolarHBondContact OD1-CB 3.36Å; N395-C404 PolarHBondContact OD1-N 2.78Å; H402-C404 PolarHBondContact O-N 3.13Å; C404-F406 PolarHBondContact O-N 2.74Å; C404-S409 PolarHBondContact SG-OG 2.67Å; C404-L456 VanDerWaalsContact SG-CD2 3.53Å; C404-W460 HydrophobicContact CB-CD2 3.85Å; C404-W460 HydrophobicContact CB-CE3 4.41Å; C404-W460 HydrophobicContact CB-CG 3.89Å
405P95Very high89.9Confident23 Ų2348.9 Ų48.915%0.14924%0.235CC..  trans-75.298.1-177.429.8-34.3000110.7G407 R408 S409 F470P405-G407 PolarHBondContact O-N 2.67Å; P405-R408 HydrophobicContact CB-CB 4.12Å; P405-R408 HydrophobicContact CG-CB 4.16Å; P405-R408 PolarHBondContact O-N 2.94Å; P405-S409 VanDerWaalsContact O-CB 3.25Å; P405-S409 WeakPolarHBondContact O-CB 3.37Å; P405-S409 PolarHBondContact O-N 3.21Å; P405-S409 PolarHBondContact O-OG 3.12Å; P405-F470 HydrophobicContact CG-CD2 4Å; P405-F470 HydrophobicContact CG-CE2 4.02Å
406F96.9Very high90.4Very high5 Ų548.6 Ų48.62%0.02223%0.233CC..Hα-helixtrans-54-50.3-173.3169.8-93.1000113.2L352 M377 L380 Y388 I391 V392 C404 S409 A410 I453L352-F406 HydrophobicContact CD2-CD1 4.45Å; L352-F406 WeakPolarHBondContact O-CB 3.42Å; L352-F406 PolarHBondContact O-N 2.83Å; M377-F406 HydrophobicContact CB-CE1 4.48Å; M377-F406 HydrophobicContact CB-CZ 4.4Å; M377-F406 HydrophobicContact CG-CE1 3.95Å; M377-F406 HydrophobicContact CG-CZ 3.96Å; M377-F406 HydrophobicContact SD-CE1 4.07Å; L380-F406 HydrophobicContact CD2-CE2 4.03Å; L380-F406 HydrophobicContact CD2-CZ 4.32Å; Y388-F406 HydrophobicContact CD2-CE1 4.33Å; Y388-F406 HydrophobicContact CD2-CE2 4.16Å; Y388-F406 AromaticContact CD2-CZ 3.78Å; Y388-F406 HydrophobicContact CD2-CZ 3.78Å; Y388-F406 HydrophobicContact CE2-CD1 4.37Å; Y388-F406 AromaticContact CE2-CE1 3.63Å; Y388-F406 HydrophobicContact CE2-CE1 3.63Å; Y388-F406 HydrophobicContact CE2-CE2 4.24Å; Y388-F406 AromaticContact CE2-CZ 3.55Å; Y388-F406 HydrophobicContact CE2-CZ 3.55Å; I391-F406 HydrophobicContact CG2-CD2 3.83Å; I391-F406 HydrophobicContact CG2-CE2 4.46Å; V392-F406 HydrophobicContact CG2-CD1 4.36Å; V392-F406 HydrophobicContact CG2-CG 4.23Å; C404-F406 PolarHBondContact O-N 2.74Å; F406-S409 PolarHBondContact O-N 3.47Å; F406-A410 HydrophobicContact CZ-CB 4.4Å; F406-A410 VanDerWaalsContact O-CB 3.32Å; F406-A410 WeakPolarHBondContact O-CB 3.24Å; F406-A410 PolarHBondContact O-N 2.62Å; F406-I453 HydrophobicContact CE2-CG1 4.28Å
407G96.6Very high91.2Very high0 Ų047.5 Ų47.50%023%0.226CC..Hα-helixtrans-56.5-54.6-179.400000112.5L352 G353 M377 P405 S409 A410 I411L352-G407 PolarHBondContact O-N 3.46Å; G353-G407 PolarHBondContact O-N 3.11Å; M377-G407 WeakPolarHBondContact CE-O 3.47Å; P405-G407 PolarHBondContact O-N 2.67Å; G407-S409 PolarHBondContact O-N 3.43Å; G407-A410 PolarHBondContact O-N 3.26Å; G407-I411 WeakPolarHBondContact O-CG1 3.29Å; G407-I411 PolarHBondContact O-N 3.28Å
408R97.4Very high92.4Very high90 Ų9043.4 Ų43.434%0.3420%0.197SC..Hα-helixtrans-60.3-44.6176.7-172.1-174.9173.3-173.7-3.2112.3G353 P405 I411 E412 F470G353-R408 PolarHBondContact O-N 3.1Å; P405-R408 HydrophobicContact CB-CB 4.12Å; P405-R408 HydrophobicContact CG-CB 4.16Å; P405-R408 PolarHBondContact O-N 2.94Å; R408-I411 PolarHBondContact O-N 3.4Å; R408-E412 PolarHBondContact O-N 3Å; R408-F470 HydrophobicContact CB-CE2 4.33Å; R408-F470 HydrophobicContact CB-CZ 4.41Å; R408-F470 HydrophobicContact CG-CE1 4.2Å; R408-F470 HydrophobicContact CG-CE2 3.9Å; R408-F470 HydrophobicContact CG-CZ 3.66Å
409S98.3Very high93.6Very high0 Ų043.5 Ų43.50%020%0.201CC..Hα-helixtrans-62.2-43.7179.5-70.50000112.6C404 P405 F406 G407 L413 F470C404-S409 PolarHBondContact SG-OG 2.67Å; P405-S409 VanDerWaalsContact O-CB 3.25Å; P405-S409 WeakPolarHBondContact O-CB 3.37Å; P405-S409 PolarHBondContact O-N 3.21Å; P405-S409 PolarHBondContact O-OG 3.12Å; F406-S409 PolarHBondContact O-N 3.47Å; G407-S409 PolarHBondContact O-N 3.43Å; S409-L413 WeakPolarHBondContact O-CB 3.28Å; S409-L413 PolarHBondContact O-N 3.37Å; S409-F470 WeakPolarHBondContact OG-CE2 3.33Å
410A98.6Very high95.1Very high0 Ų035.4 Ų35.40%016%0.164CC..Hα-helixtrans-70.2-35.8-178.800000112.7M377 F406 G407 T414 F449 I453M377-A410 HydrophobicContact CE-CB 3.44Å; M377-A410 VanDerWaalsContact CE-CB 3.44Å; M377-A410 HydrophobicContact CG-CB 3.88Å; M377-A410 HydrophobicContact SD-CB 4.39Å; F406-A410 HydrophobicContact CZ-CB 4.4Å; F406-A410 VanDerWaalsContact O-CB 3.32Å; F406-A410 WeakPolarHBondContact O-CB 3.24Å; F406-A410 PolarHBondContact O-N 2.62Å; G407-A410 PolarHBondContact O-N 3.26Å; A410-T414 WeakPolarHBondContact O-CB 3.49Å; A410-T414 PolarHBondContact O-N 3.34Å; A410-T414 PolarHBondContact O-OG1 3.29Å; A410-F449 HydrophobicContact CB-CE2 4.05Å; A410-F449 HydrophobicContact CB-CZ 3.72Å; A410-I453 HydrophobicContact CB-CD1 4.33Å
411I98.7Very high96.1Very high13 Ų1333.4 Ų33.47%0.06715%0.153CC..Hα-helixtrans-64.1-53.1172.5-67.2171000110D363 F364 P369 A373 M377 G407 R408 L413 T414 K415D363-I411 HydrophobicContact CB-CD1 3.64Å; F364-I411 HydrophobicContact CD1-CD1 4.19Å; F364-I411 HydrophobicContact CD1-CG1 4.32Å; F364-I411 HydrophobicContact CE1-CD1 3.95Å; F364-I411 HydrophobicContact CE1-CG1 3.93Å; F364-I411 HydrophobicContact CZ-CD1 4.28Å; P369-I411 HydrophobicContact CG-CG2 3.75Å; P369-I411 WeakPolarHBondContact CG-O 3.46Å; A373-I411 HydrophobicContact CB-CB 4.43Å; A373-I411 HydrophobicContact CB-CG1 3.95Å; M377-I411 HydrophobicContact CE-CD1 4.4Å; M377-I411 HydrophobicContact CE-CG1 3.74Å; G407-I411 WeakPolarHBondContact O-CG1 3.29Å; G407-I411 PolarHBondContact O-N 3.28Å; R408-I411 PolarHBondContact O-N 3.4Å; I411-L413 VanDerWaalsContact C-N 3.31Å; I411-L413 PolarHBondContact O-N 2.94Å; I411-T414 PolarHBondContact O-N 3.01Å; I411-K415 PolarHBondContact O-N 3.34Å; I411-K415 VanDerWaalsContact O-N 3.12Å
412E98.6Very high96.4Very high55 Ų5528.8 Ų28.826%0.25713%0.134SC..Hα-helixtrans-64.1-37.6-178.7-172.562.7-153.800112R408 K415 M416 F470 M474R408-E412 PolarHBondContact O-N 3Å; E412-K415 PolarHBondContact O-N 2.94Å; E412-M416 WeakPolarHBondContact O-CB 3.29Å; E412-M416 PolarHBondContact O-N 2.9Å; E412-F470 HydrophobicContact CB-CE1 4.07Å; E412-F470 HydrophobicContact CB-CZ 3.96Å; E412-F470 HydrophobicContact CG-CE1 4.03Å; E412-F470 HydrophobicContact CG-CZ 4.36Å; E412-M474 HydrophobicContact CB-CE 3.81Å; E412-M474 HydrophobicContact CG-CE 3.55Å; E412-M474 HydrophobicContact CG-CG 3.99Å; E412-M474 HydrophobicContact CG-SD 4.46Å
413L98.8Very high96.5Very high0 Ų026.7 Ų26.70%013%0.125CC..Hα-helixtrans-64.9-42.2176.2177.962.5000111.7S409 I411 K415 M416 L417 F449 C452 I453 L456 M474 V477 I481S409-L413 WeakPolarHBondContact O-CB 3.28Å; S409-L413 PolarHBondContact O-N 3.37Å; I411-L413 VanDerWaalsContact C-N 3.31Å; I411-L413 PolarHBondContact O-N 2.94Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 3.46Å; L413-M416 HydrophobicContact CD1-SD 4.34Å; L413-M416 PolarHBondContact O-N 2.96Å; L413-L417 HydrophobicContact CD1-CD1 4.38Å; L413-L417 HydrophobicContact CD1-CG 4.16Å; L413-L417 HydrophobicContact CG-CD1 4.21Å; L413-L417 HydrophobicContact CG-CG 4.4Å; L413-L417 WeakPolarHBondContact O-CG 3.43Å; L413-L417 PolarHBondContact O-N 3.44Å; L413-F449 HydrophobicContact CD2-CD2 4.01Å; L413-F449 HydrophobicContact CD2-CE2 4.05Å; L413-F449 HydrophobicContact CG-CD2 4.31Å; L413-F449 HydrophobicContact CG-CE2 4.44Å; L413-C452 HydrophobicContact CD1-CB 3.89Å; L413-C452 HydrophobicContact CD2-CB 3.81Å; L413-C452 HydrophobicContact CG-CB 4.34Å; L413-I453 HydrophobicContact CD2-CB 3.87Å; L413-I453 HydrophobicContact CD2-CD1 3.94Å; L413-L456 HydrophobicContact CB-CD1 4.28Å; L413-L456 HydrophobicContact CD2-CD1 4.47Å; L413-M474 HydrophobicContact CB-CE 4.07Å; L413-V477 HydrophobicContact CD1-CG1 4.44Å; L413-I481 HydrophobicContact CD1-CD1 4.44Å
414T98.8Very high96.1Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-60-47.3177.6-60.20000110.5P369 L372 A373 N376 A410 I411 M416 L417 C418P369-T414 HydrophobicContact CB-CG2 3.52Å; P369-T414 HydrophobicContact CG-CG2 4.23Å; L372-T414 HydrophobicContact CB-CG2 4.34Å; L372-T414 HydrophobicContact CD2-CG2 4Å; L372-T414 HydrophobicContact CG-CG2 3.88Å; A373-T414 HydrophobicContact CB-CG2 4.26Å; N376-T414 VanDerWaalsContact ND2-CG2 3.27Å; N376-T414 WeakPolarHBondContact ND2-CG2 3.47Å; N376-T414 PolarHBondContact ND2-OG1 3.39Å; A410-T414 WeakPolarHBondContact O-CB 3.49Å; A410-T414 PolarHBondContact O-N 3.34Å; A410-T414 PolarHBondContact O-OG1 3.29Å; I411-T414 PolarHBondContact O-N 3.01Å; T414-M416 PolarHBondContact O-N 3.29Å; T414-L417 PolarHBondContact O-N 2.97Å; T414-C418 PolarHBondContact O-N 2.92Å; T414-C418 PolarHBondContact O-SG 2.94Å
415K98.6Very high95.5Very high51 Ų5129.1 Ų29.122%0.22214%0.142CC..Hα-helixtrans-57.7-47.7175.3176.5-178.6171.2-165.50112P368 P369 I411 E412 L413 L417 C418 E419P368-K415 HydrophobicContact CB-CG 4.3Å; P368-K415 HydrophobicContact CG-CD 4.22Å; P368-K415 HydrophobicContact CG-CG 4Å; P369-K415 HydrophobicContact CB-CB 4.45Å; I411-K415 PolarHBondContact O-N 3.34Å; I411-K415 VanDerWaalsContact O-N 3.12Å; E412-K415 PolarHBondContact O-N 2.94Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 3.46Å; K415-L417 VanDerWaalsContact C-N 3.33Å; K415-L417 PolarHBondContact O-N 2.95Å; K415-C418 WeakPolarHBondContact O-CB 3.39Å; K415-C418 PolarHBondContact O-N 3.11Å; K415-E419 WeakPolarHBondContact CE-OE1 3.21Å; K415-E419 WeakPolarHBondContact O-CG 3.3Å; K415-E419 PolarHBondContact O-N 3.38Å
416M98.7Very high94.6Very high1 Ų133 Ų331%0.00516%0.161CC..Hα-helixtrans-58.4-42.8177.5174.3-171.4-59.700112.5E412 L413 T414 E419 I420 M474 V477 R478 I481E412-M416 WeakPolarHBondContact O-CB 3.29Å; E412-M416 PolarHBondContact O-N 2.9Å; L413-M416 HydrophobicContact CD1-SD 4.34Å; L413-M416 PolarHBondContact O-N 2.96Å; T414-M416 PolarHBondContact O-N 3.29Å; M416-E419 PolarHBondContact O-N 3.41Å; M416-I420 HydrophobicContact CG-CD1 3.76Å; M416-I420 HydrophobicContact CG-CG1 4.41Å; M416-I420 VanDerWaalsContact O-CG1 3.26Å; M416-I420 WeakPolarHBondContact O-CG1 3.28Å; M416-I420 PolarHBondContact O-N 2.96Å; M416-I420 HydrophobicContact SD-CD1 4.42Å; M416-M474 HydrophobicContact CE-CB 3.78Å; M416-M474 HydrophobicContact CE-CE 3.43Å; M416-M474 VanDerWaalsContact CE-CE 3.43Å; M416-M474 WeakPolarHBondContact CE-O 3.47Å; M416-M474 HydrophobicContact CE-SD 4.4Å; M416-M474 HydrophobicContact SD-CE 4.43Å; M416-V477 HydrophobicContact SD-CG1 4.37Å; M416-R478 HydrophobicContact CE-CB 3.91Å; M416-R478 HydrophobicContact CG-CB 4.34Å; M416-R478 HydrophobicContact CG-CG 4.35Å; M416-R478 HydrophobicContact SD-CB 3.66Å; M416-R478 HydrophobicContact SD-CG 4.29Å; M416-I481 HydrophobicContact SD-CD1 4.38Å
417L98.6Very high93.5Very high1 Ų134 Ų341%0.00517%0.168CC..Hα-helixtrans-64.9-41.4177.4-70.1176.5000111.5L413 T414 K415 E419 I420 L421 F445 L448 F449 I481L413-L417 HydrophobicContact CD1-CD1 4.38Å; L413-L417 HydrophobicContact CD1-CG 4.16Å; L413-L417 HydrophobicContact CG-CD1 4.21Å; L413-L417 HydrophobicContact CG-CG 4.4Å; L413-L417 WeakPolarHBondContact O-CG 3.43Å; L413-L417 PolarHBondContact O-N 3.44Å; T414-L417 PolarHBondContact O-N 2.97Å; K415-L417 VanDerWaalsContact C-N 3.33Å; K415-L417 PolarHBondContact O-N 2.95Å; L417-E419 VanDerWaalsContact C-N 3.32Å; L417-E419 PolarHBondContact O-N 3.49Å; L417-I420 PolarHBondContact O-N 2.94Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.38Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.32Å; L417-L421 PolarHBondContact O-N 2.93Å; L417-F445 HydrophobicContact CB-CE2 4.08Å; L417-F445 HydrophobicContact CB-CZ 4.37Å; L417-L448 HydrophobicContact CD2-CD2 4Å; L417-L448 HydrophobicContact CD2-CG 4.27Å; L417-F449 HydrophobicContact CD1-CB 4.14Å; L417-F449 HydrophobicContact CD1-CD2 4.4Å; L417-I481 HydrophobicContact CD2-CD1 4.12Å
418C98.1Very high92Very high5 Ų534.5 Ų34.53%0.03417%0.17CC..Hα-helixtrans-59.3-42.2174.2-67.40000112.1M301 T414 K415 Q422 V423M301-C418 HydrophobicContact SD-CB 3.49Å; M301-C418 WeakPolarHBondContact SD-CB 3.4Å; T414-C418 PolarHBondContact O-N 2.92Å; T414-C418 PolarHBondContact O-SG 2.94Å; K415-C418 WeakPolarHBondContact O-CB 3.39Å; K415-C418 PolarHBondContact O-N 3.11Å; C418-Q422 WeakPolarHBondContact O-CA 3.46Å; C418-Q422 PolarHBondContact O-N 3.15Å; C418-V423 HydrophobicContact CB-CB 4.16Å; C418-V423 HydrophobicContact CB-CG2 4.17Å; C418-V423 PolarHBondContact O-N 2.94Å
419E95.2Very high90Very high86 Ų8633.6 Ų33.640%0.40217%0.17SC..Hα-helixtrans-66.9-45.1176.6-69168.4-17800112.6K415 M416 L417 L421 Q422 R478K415-E419 WeakPolarHBondContact CE-OE1 3.21Å; K415-E419 WeakPolarHBondContact O-CG 3.3Å; K415-E419 PolarHBondContact O-N 3.38Å; M416-E419 PolarHBondContact O-N 3.41Å; L417-E419 VanDerWaalsContact C-N 3.32Å; L417-E419 PolarHBondContact O-N 3.49Å; E419-L421 VanDerWaalsContact C-N 3.29Å; E419-L421 PolarHBondContact O-N 3.48Å; E419-Q422 PolarHBondContact O-N 2.96Å; E419-R478 IonicContact OE2-CZ 2.81Å; E419-R478 IonicContact OE2-NH1 2.81Å; E419-R478 PolarHBondContact OE2-NH1 3.24Å; E419-R478 IonicContact OE2-NH2 3.88Å; E419-R478 PolarHBondContact OE2-NH2 3.01Å
420I96.1Very high87.9Confident33 Ų3335.1 Ų35.117%0.16919%0.186CC..Hα-helixtrans-62.6-39.2178.6-69.9169.2000110.8M416 L417 Q422 R478 I481 T482 L485M416-I420 HydrophobicContact CG-CD1 3.76Å; M416-I420 HydrophobicContact CG-CG1 4.41Å; M416-I420 VanDerWaalsContact O-CG1 3.26Å; M416-I420 WeakPolarHBondContact O-CG1 3.28Å; M416-I420 PolarHBondContact O-N 2.96Å; M416-I420 HydrophobicContact SD-CD1 4.42Å; L417-I420 PolarHBondContact O-N 2.94Å; I420-Q422 VanDerWaalsContact C-N 3.35Å; I420-R478 HydrophobicContact CD1-CG 4.15Å; I420-I481 HydrophobicContact CD1-CB 4.18Å; I420-I481 HydrophobicContact CD1-CD1 4.48Å; I420-I481 HydrophobicContact CD1-CG2 3.82Å; I420-I481 HydrophobicContact CG2-CG2 4.39Å; I420-T482 HydrophobicContact CD1-CG2 4.06Å; I420-T482 HydrophobicContact CG1-CG2 4.05Å; I420-T482 HydrophobicContact CG2-CG2 4.39Å; I420-L485 HydrophobicContact CG2-CD1 3.46Å; I420-L485 VanDerWaalsContact CG2-CD1 3.46Å
421L95.7Very high86.6Confident15 Ų1538.8 Ų38.88%0.07920%0.2CC..THydrogen-bonded Turntrans-89-1.6-178.8-61.6176000113.5F294 L417 E419 V423 F438 F445 L448F294-L421 HydrophobicContact CD2-CB 4.46Å; F294-L421 HydrophobicContact CE1-CD1 4.23Å; F294-L421 HydrophobicContact CE2-CB 4.35Å; F294-L421 HydrophobicContact CE2-CD2 4.27Å; F294-L421 HydrophobicContact CZ-CD1 4.2Å; F294-L421 HydrophobicContact CZ-CD2 4.19Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.38Å; L417-L421 VanDerWaalsContact O-CG 3.28Å; L417-L421 WeakPolarHBondContact O-CG 3.32Å; L417-L421 PolarHBondContact O-N 2.93Å; E419-L421 VanDerWaalsContact C-N 3.29Å; E419-L421 PolarHBondContact O-N 3.48Å; L421-V423 VanDerWaalsContact C-N 3.32Å; L421-V423 HydrophobicContact CB-CG2 4.29Å; L421-V423 PolarHBondContact O-N 2.93Å; L421-F438 HydrophobicContact CD1-CE1 4.11Å; L421-F438 HydrophobicContact CD1-CZ 3.81Å; L421-F438 HydrophobicContact CD2-CE2 4.05Å; L421-F438 HydrophobicContact CD2-CZ 3.66Å; L421-F438 HydrophobicContact CG-CZ 4.42Å; L421-F445 HydrophobicContact CD1-CD2 3.78Å; L421-F445 HydrophobicContact CD1-CE2 3.94Å; L421-L448 HydrophobicContact CD1-CD2 3.97Å
422Q92.6Very high85.5Confident77 Ų7741.3 Ų41.336%0.3621%0.213SC..THydrogen-bonded Turntrans55.843.8178.5-59.6176.7-24.200112.7C418 E419 I420 G424 E425C418-Q422 WeakPolarHBondContact O-CA 3.46Å; C418-Q422 PolarHBondContact O-N 3.15Å; E419-Q422 PolarHBondContact O-N 2.96Å; I420-Q422 VanDerWaalsContact C-N 3.35Å; Q422-G424 PolarHBondContact O-N 2.95Å; Q422-E425 HydrophobicContact CB-CB 4.28Å; Q422-E425 HydrophobicContact CB-CG 3.94Å; Q422-E425 WeakPolarHBondContact O-CB 3.46Å; Q422-E425 PolarHBondContact O-N 3.33Å
423V92Very high84.8Confident14 Ų1442.6 Ų42.69%0.08522%0.222CC..THydrogen-bonded Turntrans-63.3127.5177.1177.50000109.8F294 L297 E298 M301 C418 L421F294-V423 HydrophobicContact CB-CG2 4.28Å; L297-V423 HydrophobicContact CB-CG1 4.23Å; E298-V423 HydrophobicContact CB-CG1 4.22Å; M301-V423 HydrophobicContact CE-CG1 4.21Å; M301-V423 HydrophobicContact SD-CB 4.29Å; M301-V423 HydrophobicContact SD-CG1 4.09Å; C418-V423 HydrophobicContact CB-CB 4.16Å; C418-V423 HydrophobicContact CB-CG2 4.17Å; C418-V423 PolarHBondContact O-N 2.94Å; L421-V423 VanDerWaalsContact C-N 3.32Å; L421-V423 HydrophobicContact CB-CG2 4.29Å; L421-V423 PolarHBondContact O-N 2.93Å
424G81.8Confident84.6Confident21 Ų2144.1 Ų44.122%0.21623%0.228CC..THydrogen-bonded Turntrans98.2-8.6-177.400000114.2N295 E298 Q422N295-G424 WeakPolarHBondContact OD1-CA 3.35Å; N295-G424 PolarHBondContact OD1-N 3.32Å; E298-G424 VanDerWaalsContact CD-CA 3.41Å; E298-G424 WeakPolarHBondContact OE2-CA 3.25Å; Q422-G424 PolarHBondContact O-N 2.95Å
425E81.1Confident84.5Confident122 Ų12245.8 Ų45.857%0.5724%0.236SC*.PPolyproline II helixtrans-80.6142.4177.1-66-64.2157.200111.5V291 N295 Q422V291-E425 WeakPolarHBondContact CG1-O 3.15Å; N295-E425 PolarHBondContact ND2-O 2.85Å; Q422-E425 HydrophobicContact CB-CB 4.28Å; Q422-E425 HydrophobicContact CB-CG 3.94Å; Q422-E425 WeakPolarHBondContact O-CB 3.46Å; Q422-E425 PolarHBondContact O-N 3.33Å
426L75.9Confident84.4Confident104 Ų10444 Ų4455%0.54523%0.229SC..PPolyproline II helixtrans-75.3146175-67.6176.4000110.9N428L426-N428 PolarHBondContact O-N 3.29Å
427P73.3Confident84.3Confident26 Ų2643.9 Ų43.917%0.16923%0.229CC..PPolyproline II helixtrans-63.4137.6176.826.8-34000110.6Y287 V288 V291 L292Y287-P427 HydrophobicContact CE1-CB 4.38Å; V288-P427 HydrophobicContact CB-CB 4.19Å; V288-P427 HydrophobicContact CG1-CB 3.91Å; V288-P427 HydrophobicContact CG1-CG 3.97Å; V288-P427 HydrophobicContact CG2-CB 3.94Å; V291-P427 HydrophobicContact CB-CB 4.29Å; V291-P427 HydrophobicContact CG1-CB 4.18Å; L292-P427 HydrophobicContact CD2-CG 4.4Å
428N65Low84.3Confident10 Ų1044.6 Ų44.65%0.05323%0.232CC..  trans-106.6150.9-179.664.758.7000113.2H284 Y287 L426 G430 R431 E629H284-N428 PolarHBondContact CE1-O 3.19Å; H284-N428 VanDerWaalsContact CE1-O 3.25Å; Y287-N428 WeakPolarHBondContact CE1-O 3.45Å; Y287-N428 PolarHBondContact OH-N 3.1Å; Y287-N428 PolarHBondContact OH-ND2 3.1Å; Y287-N428 VanDerWaalsContact OH-ND2 3.12Å; L426-N428 PolarHBondContact O-N 3.29Å; N428-G430 PolarHBondContact O-N 3.05Å; N428-R431 WeakPolarHBondContact ND2-CD 3.37Å; N428-R431 WeakPolarHBondContact OD1-CB 3.43Å; N428-R431 VanDerWaalsContact OD1-CD 3.27Å; N428-R431 WeakPolarHBondContact OD1-CD 3.31Å; N428-R431 WeakPolarHBondContact OD1-CG 3.49Å; N428-R431 PolarHBondContact OD1-N 3.29Å; N428-R431 VanDerWaalsContact OD1-N 3.11Å; N428-E629 PolarHBondContact ND2-OE2 3.08Å
429E54.9Low84.3Confident71 Ų7145 Ų4533%0.33223%0.233SC..THydrogen-bonded Turntrans-76.2-6.9-172-59.1179.8171.900113.5R556 R561E429-R556 PolarHBondContact O-NH1 2.75Å; E429-R561 IonicContact OE1-CZ 2.94Å; E429-R561 IonicContact OE1-NE 2.76Å; E429-R561 PolarHBondContact OE1-NE 3.17Å; E429-R561 IonicContact OE1-NH2 3.88Å; E429-R561 PolarHBondContact OE1-NH2 2.8Å
430G55.9Low84.4Confident33 Ų3342.5 Ų42.534%0.3422%0.224SC..THydrogen-bonded Turntrans-103.2-10.9-175.700000115.1N428N428-G430 PolarHBondContact O-N 3.05Å
431R69.6Low84.4Confident77 Ų7744 Ų4429%0.29123%0.23SC..  trans-103.2136.6-176-71.8173.174.4-177.2-3.4112.2H284 Y287 N428H284-R431 PolarHBondContact ND1-O 3.18Å; Y287-R431 HydrophobicContact CD1-CB 4.06Å; Y287-R431 WeakPolarHBondContact CD1-O 3.19Å; Y287-R431 HydrophobicContact CD2-CB 4.31Å; Y287-R431 HydrophobicContact CE1-CB 3.73Å; Y287-R431 HydrophobicContact CE2-CB 4Å; Y287-R431 HydrophobicContact CG-CB 4.34Å; N428-R431 WeakPolarHBondContact ND2-CD 3.37Å; N428-R431 WeakPolarHBondContact OD1-CB 3.43Å; N428-R431 VanDerWaalsContact OD1-CD 3.27Å; N428-R431 WeakPolarHBondContact OD1-CD 3.31Å; N428-R431 WeakPolarHBondContact OD1-CG 3.49Å; N428-R431 PolarHBondContact OD1-N 3.29Å; N428-R431 VanDerWaalsContact OD1-N 3.11Å
432N76.3Confident84.2Confident65 Ų6548.2 Ų48.235%0.34825%0.253SS..  trans-118.76.8176.3-55-33.5000111.5T280 A283 H284T280-N432 WeakPolarHBondContact CG2-ND2 3.33Å; A283-N432 HydrophobicContact CB-CB 4.21Å; H284-N432 WeakPolarHBondContact CB-OD1 3.42Å
433D83.6Confident84.4Confident83 Ų8350.1 Ų50.144%0.44426%0.257SS..  trans-100.5118.4-165.3-166.126.1000112Y287 K488Y287-D433 VanDerWaalsContact CD2-O 3.23Å; Y287-D433 WeakPolarHBondContact CD2-O 3.23Å; D433-K488 WeakPolarHBondContact OD1-CE 3.48Å; D433-K488 IonicContact OD1-NZ 3.54Å; D433-K488 PolarHBondContact OD1-NZ 2.86Å; D433-K488 VanDerWaalsContact OD2-CE 3.27Å; D433-K488 WeakPolarHBondContact OD2-CE 3.09Å; D433-K488 IonicContact OD2-NZ 3.53Å; D433-K488 PolarHBondContact OD2-NZ 3.43Å
434Y94.7Very high84.6Confident32 Ų3249.8 Ų49.813%0.12526%0.255CS..  trans-126.9167.7-177.672.6-85.9000110.7I272 I278 A283 L286 Q290 P436 F439 K488I272-Y434 HydrophobicContact CD1-CE2 4.27Å; I272-Y434 HydrophobicContact CG1-CE2 4.43Å; I278-Y434 WeakPolarHBondContact CD1-OH 3.48Å; A283-Y434 HydrophobicContact CB-CE1 4.39Å; L286-Y434 HydrophobicContact CB-CD1 4.02Å; L286-Y434 HydrophobicContact CB-CD2 4.4Å; L286-Y434 HydrophobicContact CB-CE1 4.24Å; L286-Y434 HydrophobicContact CB-CG 4.12Å; L286-Y434 HydrophobicContact CD1-CD1 4.45Å; L286-Y434 HydrophobicContact CD1-CE1 3.84Å; L286-Y434 HydrophobicContact CD1-CE2 4.07Å; Q290-Y434 VanDerWaalsContact OE1-CA 3.26Å; Q290-Y434 VanDerWaalsContact OE1-CB 3.24Å; Y434-P436 HydrophobicContact CD2-CG 4.33Å; Y434-P436 HydrophobicContact CE2-CB 4.3Å; Y434-P436 HydrophobicContact CE2-CG 3.83Å; Y434-F439 HydrophobicContact CD2-CD2 4.38Å; Y434-F439 AromaticContact CD2-CE2 3.87Å; Y434-F439 HydrophobicContact CD2-CE2 3.87Å; Y434-F439 HydrophobicContact CE2-CE2 4.41Å; Y434-K488 PolarHBondContact O-NZ 3.25Å
435H96.4Very high85.4Confident34 Ų3449.1 Ų49.116%0.15725%0.246CC..  trans-110.9103.6179.4-63.3-72.6000110.5Q290 M437 F438Q290-H435 PolarHBondContact NE2-O 3.41Å; H435-M437 PolarHBondContact O-N 3.46Å; H435-M437 VanDerWaalsContact O-N 3.13Å; H435-F438 HydrophobicContact CB-CD2 3.54Å; H435-F438 HydrophobicContact CB-CE2 3.75Å; H435-F438 PolarHBondContact O-N 3.34Å
436P96.4Very high86.3Confident13 Ų1343.9 Ų43.98%0.08422%0.222CC..G310 helixtrans-58-31-174.6-25.433000114.2I272 Y434 F438 F439I272-P436 HydrophobicContact CG2-CB 4.41Å; Y434-P436 HydrophobicContact CD2-CG 4.33Å; Y434-P436 HydrophobicContact CE2-CB 4.3Å; Y434-P436 HydrophobicContact CE2-CG 3.83Å; P436-F438 PolarHBondContact O-N 3.18Å; P436-F438 VanDerWaalsContact O-N 3.14Å; P436-F439 WeakPolarHBondContact O-CB 3.46Å; P436-F439 PolarHBondContact O-N 3.14Å
437M97.8Very high87.3Confident0 Ų040.5 Ų40.50%020%0.203CC..G310 helixtrans-56.1-30.1179.867.6-179.9-172.500114.2H435 F439 T440 L448 L485 P489 L492 F495H435-M437 PolarHBondContact O-N 3.46Å; H435-M437 VanDerWaalsContact O-N 3.13Å; M437-F439 PolarHBondContact O-N 2.86Å; M437-T440 WeakPolarHBondContact O-CB 3.09Å; M437-T440 PolarHBondContact O-N 3.27Å; M437-T440 PolarHBondContact O-OG1 2.93Å; M437-L448 HydrophobicContact CE-CD1 4.23Å; M437-L485 HydrophobicContact CE-CD2 3.53Å; M437-P489 PolarHBondContact N-O 3.18Å; M437-P489 HydrophobicContact SD-CG 3.69Å; M437-L492 HydrophobicContact SD-CD2 4.33Å; M437-F495 HydrophobicContact CE-CD2 4.38Å; M437-F495 HydrophobicContact CE-CG 4.44Å; M437-F495 HydrophobicContact SD-CB 3.75Å; M437-F495 HydrophobicContact SD-CD1 4.48Å; M437-F495 HydrophobicContact SD-CD2 4.15Å; M437-F495 HydrophobicContact SD-CG 3.88Å
438F97.9Very high88.5Confident16 Ų1639.4 Ų39.47%0.0720%0.196CC..G310 helixtrans-73.4-17.4178.9-68.3-88.2000113.1F294 L421 H435 P436 T440 A444 L448F294-F438 AromaticContact CE1-CD1 3.55Å; F294-F438 HydrophobicContact CE1-CD1 3.55Å; F294-F438 AromaticContact CE1-CE1 3.61Å; F294-F438 HydrophobicContact CE1-CE1 3.61Å; F294-F438 HydrophobicContact CE1-CG 4.02Å; F294-F438 HydrophobicContact CE1-CZ 4.1Å; F294-F438 HydrophobicContact CZ-CB 4.47Å; F294-F438 AromaticContact CZ-CD1 3.67Å; F294-F438 HydrophobicContact CZ-CD1 3.67Å; F294-F438 AromaticContact CZ-CD2 3.82Å; F294-F438 HydrophobicContact CZ-CD2 3.82Å; F294-F438 AromaticContact CZ-CE1 3.64Å; F294-F438 HydrophobicContact CZ-CE1 3.64Å; F294-F438 AromaticContact CZ-CE2 3.77Å; F294-F438 HydrophobicContact CZ-CE2 3.77Å; F294-F438 AromaticContact CZ-CG 3.73Å; F294-F438 HydrophobicContact CZ-CG 3.73Å; F294-F438 AromaticContact CZ-CZ 3.66Å; F294-F438 HydrophobicContact CZ-CZ 3.66Å; L421-F438 HydrophobicContact CD1-CE1 4.11Å; L421-F438 HydrophobicContact CD1-CZ 3.81Å; L421-F438 HydrophobicContact CD2-CE2 4.05Å; L421-F438 HydrophobicContact CD2-CZ 3.66Å; L421-F438 HydrophobicContact CG-CZ 4.42Å; H435-F438 HydrophobicContact CB-CD2 3.54Å; H435-F438 HydrophobicContact CB-CE2 3.75Å; H435-F438 PolarHBondContact O-N 3.34Å; P436-F438 PolarHBondContact O-N 3.18Å; P436-F438 VanDerWaalsContact O-N 3.14Å; F438-T440 PolarHBondContact O-N 3.17Å; F438-A444 HydrophobicContact CB-CB 4.2Å; F438-A444 HydrophobicContact CD1-CB 3.79Å; F438-A444 HydrophobicContact CG-CB 4.37Å; F438-L448 HydrophobicContact CE1-CD2 3.89Å; F438-L448 HydrophobicContact CZ-CD2 3.67Å
439F97.6Very high90.1Very high13 Ų1338.9 Ų38.96%0.05719%0.193CC..G310 helixtrans-83.50.1171.4-64-91.9000112.4R264 I267 I272 L286 L289 Q290 Y434 P436 M437R264-F439 HydrophobicContact CG-CB 4.32Å; R264-F439 HydrophobicContact CG-CD1 4.4Å; R264-F439 VanDerWaalsContact CG-O 3.32Å; R264-F439 WeakPolarHBondContact CG-O 3.09Å; R264-F439 PolarHBondContact NH1-O 3.41Å; I267-F439 HydrophobicContact CB-CD1 4.42Å; I267-F439 HydrophobicContact CD1-CE1 4.42Å; I267-F439 HydrophobicContact CG2-CD1 3.8Å; I267-F439 HydrophobicContact CG2-CE1 3.94Å; I272-F439 HydrophobicContact CD1-CB 3.48Å; I272-F439 VanDerWaalsContact CD1-CB 3.48Å; I272-F439 HydrophobicContact CD1-CD1 4.06Å; I272-F439 HydrophobicContact CD1-CD2 3.68Å; I272-F439 HydrophobicContact CD1-CE2 4.43Å; I272-F439 HydrophobicContact CD1-CG 3.46Å; I272-F439 VanDerWaalsContact CD1-CG 3.46Å; L286-F439 HydrophobicContact CD2-CE1 4.41Å; L286-F439 HydrophobicContact CD2-CZ 4.34Å; L289-F439 HydrophobicContact CD2-CE1 4.23Å; Q290-F439 HydrophobicContact CB-CE2 4.46Å; Q290-F439 HydrophobicContact CB-CZ 4.35Å; Y434-F439 HydrophobicContact CD2-CD2 4.38Å; Y434-F439 AromaticContact CD2-CE2 3.87Å; Y434-F439 HydrophobicContact CD2-CE2 3.87Å; Y434-F439 HydrophobicContact CE2-CE2 4.41Å; P436-F439 WeakPolarHBondContact O-CB 3.46Å; P436-F439 PolarHBondContact O-N 3.14Å; M437-F439 PolarHBondContact O-N 2.86Å
440T97Very high92.2Very high34 Ų3435.7 Ų35.721%0.20918%0.179CC..SBendtrans-92.6-16-178.969.60000115R264 L268 M437 F438 N490R264-T440 PolarHBondContact NH1-O 3.45Å; L268-T440 HydrophobicContact CD1-CG2 4.3Å; L268-T440 HydrophobicContact CD2-CG2 4.47Å; M437-T440 WeakPolarHBondContact O-CB 3.09Å; M437-T440 PolarHBondContact O-N 3.27Å; M437-T440 PolarHBondContact O-OG1 2.93Å; F438-T440 PolarHBondContact O-N 3.17Å; T440-N490 VanDerWaalsContact CG2-O 3.28Å; T440-N490 WeakPolarHBondContact CG2-O 3.27Å
441H96.4Very high94.3Very high65 Ų6534.9 Ų34.930%0.30117%0.167SC..  trans-141.3146.9177.9-164.7-100.6000112.5R264 Y379 R443 A444 E447 L492R264-H441 WeakPolarHBondContact CD-O 3.44Å; R264-H441 VanDerWaalsContact CZ-CA 3.43Å; R264-H441 PolarHBondContact NE-O 3.39Å; Y379-H441 PolarHBondContact OH-CE1 2.71Å; H441-R443 VanDerWaalsContact C-N 3.32Å; H441-R443 VanDerWaalsContact ND1-C 3.31Å; H441-R443 PolarHBondContact ND1-N 2.9Å; H441-R443 VanDerWaalsContact ND1-N 3.12Å; H441-R443 PolarHBondContact ND1-O 2.96Å; H441-A444 HydrophobicContact CB-CB 4.06Å; H441-A444 WeakPolarHBondContact O-CB 3.1Å; H441-E447 WeakPolarHBondContact ND1-CG 3.07Å; H441-L492 HydrophobicContact CB-CD1 3.89Å
442D92.4Very high95.7Very high103 Ų10331.2 Ų31.255%0.55115%0.153SC*.THydrogen-bonded Turntrans-70.9-32.1-177.7-67.8-35.7000112R264R264-D442 VanDerWaalsContact CZ-N 3.33Å; R264-D442 IonicContact CZ-OD1 3.33Å; R264-D442 IonicContact NE-OD1 3.84Å; R264-D442 PolarHBondContact NE-OD1 3.42Å; R264-D442 VanDerWaalsContact NH2-N 3.17Å; R264-D442 IonicContact NH2-OD1 3.1Å; R264-D442 PolarHBondContact NH2-OD1 3.49Å; R264-D442 IonicContact NH2-OD2 3.39Å; R264-D442 PolarHBondContact NH2-OD2 2.84Å
443R95.7Very high96.7Very high117 Ų11728.1 Ų28.144%0.44214%0.136SC..THydrogen-bonded Turntrans-111.850.2176.1-58.9-62.2-67.9-102.7-0.4109.6Y379 H441 F445 E446 E447Y379-R443 HydrophobicContact CE2-CB 3.73Å; Y379-R443 HydrophobicContact CE2-CG 3.99Å; H441-R443 VanDerWaalsContact C-N 3.32Å; H441-R443 VanDerWaalsContact ND1-C 3.31Å; H441-R443 PolarHBondContact ND1-N 2.9Å; H441-R443 VanDerWaalsContact ND1-N 3.12Å; H441-R443 PolarHBondContact ND1-O 2.96Å; R443-F445 VanDerWaalsContact C-N 3.28Å; R443-F445 PolarHBondContact O-N 3.38Å; R443-E446 WeakPolarHBondContact CA-OE2 3.49Å; R443-E446 HydrophobicContact CB-CB 4.38Å; R443-E446 VanDerWaalsContact CB-OE2 3.27Å; R443-E446 WeakPolarHBondContact CB-OE2 3.17Å; R443-E446 IonicContact CZ-OE1 3.32Å; R443-E446 IonicContact NE-OE1 3.4Å; R443-E446 PolarHBondContact NE-OE1 3.14Å; R443-E446 IonicContact NE-OE2 3.46Å; R443-E446 PolarHBondContact NE-OE2 3.14Å; R443-E446 IonicContact NH2-OE1 3.87Å; R443-E446 PolarHBondContact NH2-OE1 3.45Å; R443-E446 PolarHBondContact O-N 3.4Å; R443-E447 PolarHBondContact O-N 3.21Å
444A97.4Very high97.4Very high6 Ų626.6 Ų26.65%0.0513%0.127CC..Hα-helixtrans-67.3-28.5-171.500000113F438 H441 L448F438-A444 HydrophobicContact CB-CB 4.2Å; F438-A444 HydrophobicContact CD1-CB 3.79Å; F438-A444 HydrophobicContact CG-CB 4.37Å; H441-A444 HydrophobicContact CB-CB 4.06Å; H441-A444 WeakPolarHBondContact O-CB 3.1Å; A444-L448 VanDerWaalsContact O-CB 3.3Å; A444-L448 WeakPolarHBondContact O-CB 3.33Å; A444-L448 PolarHBondContact O-N 3.27Å
445F98.4Very high97.6Very high8 Ų825.8 Ų25.84%0.03512%0.124CC..Hα-helixtrans-66.9-42174.1177.7-97.2000111.4L297 L372 N376 L417 L421 R443 L448 F449L297-F445 HydrophobicContact CD1-CB 3.99Å; L297-F445 HydrophobicContact CD1-CD1 3.75Å; L297-F445 HydrophobicContact CD1-CD2 3.75Å; L297-F445 HydrophobicContact CD1-CE1 4.11Å; L297-F445 HydrophobicContact CD1-CE2 4.13Å; L297-F445 HydrophobicContact CD1-CG 3.55Å; L297-F445 HydrophobicContact CD1-CZ 4.29Å; L372-F445 HydrophobicContact CD1-CE1 4.15Å; L372-F445 HydrophobicContact CD2-CE1 4.07Å; L372-F445 HydrophobicContact CD2-CZ 4.13Å; L372-F445 HydrophobicContact CG-CE1 4.24Å; N376-F445 WeakPolarHBondContact ND2-CE1 3.45Å; L417-F445 HydrophobicContact CB-CE2 4.08Å; L417-F445 HydrophobicContact CB-CZ 4.37Å; L421-F445 HydrophobicContact CD1-CD2 3.78Å; L421-F445 HydrophobicContact CD1-CE2 3.94Å; R443-F445 VanDerWaalsContact C-N 3.28Å; R443-F445 PolarHBondContact O-N 3.38Å; F445-L448 WeakPolarHBondContact O-CB 3.31Å; F445-L448 PolarHBondContact O-N 2.92Å; F445-F449 PolarHBondContact O-N 3.32Å
446E98.6Very high97.7Very high12 Ų1224.1 Ų24.16%0.05612%0.117CC..Hα-helixtrans-71.9-36.8179-61.483.916300112.2Y379 R443 L448 F449 G450Y379-E446 HydrophobicContact CD1-CB 3.4Å; Y379-E446 VanDerWaalsContact CD1-CB 3.4Å; Y379-E446 HydrophobicContact CD1-CG 4.31Å; Y379-E446 HydrophobicContact CD2-CB 3.79Å; Y379-E446 HydrophobicContact CD2-CG 3.98Å; Y379-E446 HydrophobicContact CE1-CB 3.57Å; Y379-E446 HydrophobicContact CE2-CB 3.97Å; Y379-E446 HydrophobicContact CE2-CG 4.43Å; Y379-E446 HydrophobicContact CG-CB 3.5Å; Y379-E446 HydrophobicContact CG-CG 3.91Å; R443-E446 WeakPolarHBondContact CA-OE2 3.49Å; R443-E446 HydrophobicContact CB-CB 4.38Å; R443-E446 VanDerWaalsContact CB-OE2 3.27Å; R443-E446 WeakPolarHBondContact CB-OE2 3.17Å; R443-E446 IonicContact CZ-OE1 3.32Å; R443-E446 IonicContact NE-OE1 3.4Å; R443-E446 PolarHBondContact NE-OE1 3.14Å; R443-E446 IonicContact NE-OE2 3.46Å; R443-E446 PolarHBondContact NE-OE2 3.14Å; R443-E446 IonicContact NH2-OE1 3.87Å; R443-E446 PolarHBondContact NH2-OE1 3.45Å; R443-E446 PolarHBondContact O-N 3.4Å; E446-L448 VanDerWaalsContact C-N 3.35Å; E446-F449 WeakPolarHBondContact O-CB 3.36Å; E446-F449 PolarHBondContact O-N 3.11Å; E446-G450 PolarHBondContact O-N 2.91Å
447E98.6Very high97.7Very high32 Ų3223.9 Ų23.915%0.1512%0.115CC..Hα-helixtrans-61.9-42.7169.1-74.3-62.3130.700111.7Y379 H384 H441 R443 F449 G450 I451 L492Y379-E447 WeakPolarHBondContact CE1-OE1 3.34Å; Y379-E447 PolarHBondContact OH-OE1 2.76Å; H384-E447 IonicContact CD2-OE1 2.74Å; H384-E447 IonicContact CE1-OE1 3.25Å; H384-E447 IonicContact CE1-OE2 2.65Å; H384-E447 IonicContact NE2-OE1 2.65Å; H384-E447 PolarHBondContact NE2-OE1 3.04Å; H384-E447 IonicContact NE2-OE2 3.33Å; H384-E447 PolarHBondContact NE2-OE2 3.12Å; H441-E447 WeakPolarHBondContact ND1-CG 3.07Å; R443-E447 PolarHBondContact O-N 3.21Å; E447-F449 VanDerWaalsContact C-N 3.34Å; E447-F449 PolarHBondContact O-N 2.83Å; E447-G450 PolarHBondContact O-N 3.25Å; E447-I451 WeakPolarHBondContact O-CG1 3.43Å; E447-I451 PolarHBondContact O-N 2.97Å; E447-L492 HydrophobicContact CB-CD1 3.61Å; E447-L492 HydrophobicContact CG-CD1 4.15Å
448L98.6Very high97.7Very high3 Ų328 Ų282%0.01613%0.132CC..Hα-helixtrans-58.9-46.1173.7177.371.1000111L417 L421 M437 F438 A444 F445 E446 G450 I451 C452 L492 F495L417-L448 HydrophobicContact CD2-CD2 4Å; L417-L448 HydrophobicContact CD2-CG 4.27Å; L421-L448 HydrophobicContact CD1-CD2 3.97Å; M437-L448 HydrophobicContact CE-CD1 4.23Å; F438-L448 HydrophobicContact CE1-CD2 3.89Å; F438-L448 HydrophobicContact CZ-CD2 3.67Å; A444-L448 VanDerWaalsContact O-CB 3.3Å; A444-L448 WeakPolarHBondContact O-CB 3.33Å; A444-L448 PolarHBondContact O-N 3.27Å; F445-L448 WeakPolarHBondContact O-CB 3.31Å; F445-L448 PolarHBondContact O-N 2.92Å; E446-L448 VanDerWaalsContact C-N 3.35Å; L448-G450 VanDerWaalsContact C-N 3.32Å; L448-G450 PolarHBondContact O-N 3.42Å; L448-I451 PolarHBondContact O-N 3.16Å; L448-C452 WeakPolarHBondContact O-CB 3.33Å; L448-C452 PolarHBondContact O-N 3.17Å; L448-C452 PolarHBondContact O-SG 3.44Å; L448-L492 HydrophobicContact CB-CD2 4.5Å; L448-F495 HydrophobicContact CD1-CD1 3.87Å; L448-F495 HydrophobicContact CD1-CE1 3.3Å; L448-F495 HydrophobicContact CD1-CZ 3.86Å
449F98.8Very high97.7Very high0 Ų027.2 Ų27.20%013%0.129CC..Hα-helixtrans-56-46.6173.9169.9-94000111.5N376 L380 A410 L413 L417 F445 E446 E447 I451 C452 I453N376-F449 HydrophobicContact CB-CD1 3.75Å; N376-F449 HydrophobicContact CB-CD2 3.96Å; N376-F449 HydrophobicContact CB-CE1 3.81Å; N376-F449 HydrophobicContact CB-CE2 4.02Å; N376-F449 HydrophobicContact CB-CG 3.83Å; N376-F449 HydrophobicContact CB-CZ 3.95Å; N376-F449 WeakPolarHBondContact O-CE1 3.04Å; L380-F449 HydrophobicContact CB-CE1 4.22Å; L380-F449 HydrophobicContact CD2-CE1 4.28Å; A410-F449 HydrophobicContact CB-CE2 4.05Å; A410-F449 HydrophobicContact CB-CZ 3.72Å; L413-F449 HydrophobicContact CD2-CD2 4.01Å; L413-F449 HydrophobicContact CD2-CE2 4.05Å; L413-F449 HydrophobicContact CG-CD2 4.31Å; L413-F449 HydrophobicContact CG-CE2 4.44Å; L417-F449 HydrophobicContact CD1-CB 4.14Å; L417-F449 HydrophobicContact CD1-CD2 4.4Å; F445-F449 PolarHBondContact O-N 3.32Å; E446-F449 WeakPolarHBondContact O-CB 3.36Å; E446-F449 PolarHBondContact O-N 3.11Å; E447-F449 VanDerWaalsContact C-N 3.34Å; E447-F449 PolarHBondContact O-N 2.83Å; F449-I451 VanDerWaalsContact C-N 3.32Å; F449-I451 PolarHBondContact O-N 3.46Å; F449-C452 PolarHBondContact O-N 3.22Å; F449-I453 WeakPolarHBondContact O-CG2 3.39Å; F449-I453 PolarHBondContact O-N 2.97Å
450G98.6Very high97.7Very high4 Ų426.7 Ų26.74%0.04113%0.127CC..Hα-helixtrans-62.1-34.9177.300000114E446 E447 L448 I453 Q454E446-G450 PolarHBondContact O-N 2.91Å; E447-G450 PolarHBondContact O-N 3.25Å; L448-G450 VanDerWaalsContact C-N 3.32Å; L448-G450 PolarHBondContact O-N 3.42Å; G450-I453 WeakPolarHBondContact O-CG2 3.34Å; G450-Q454 WeakPolarHBondContact O-CG 2.98Å; G450-Q454 PolarHBondContact O-NE2 3.48Å
451I98.7Very high97.6Very high15 Ų1529.1 Ų29.18%0.07713%0.134CC..Hα-helixtrans-70.1-45.5172.8-68.5165.8000110.4E447 L448 F449 Q454 L455 L492 F495 K496 L499E447-I451 WeakPolarHBondContact O-CG1 3.43Å; E447-I451 PolarHBondContact O-N 2.97Å; L448-I451 PolarHBondContact O-N 3.16Å; F449-I451 VanDerWaalsContact C-N 3.32Å; F449-I451 PolarHBondContact O-N 3.46Å; I451-Q454 PolarHBondContact O-N 3.35Å; I451-L455 PolarHBondContact O-N 3.23Å; I451-L492 HydrophobicContact CD1-CB 3.91Å; I451-L492 HydrophobicContact CD1-CD2 4.26Å; I451-F495 HydrophobicContact CG2-CD1 4.18Å; I451-F495 HydrophobicContact CG2-CE1 4.19Å; I451-K496 HydrophobicContact CG2-CB 4.24Å; I451-K496 HydrophobicContact CG2-CG 4.35Å; I451-L499 HydrophobicContact CG2-CD1 3.76Å
452C98.8Very high97.5Very high0 Ų029.3 Ų29.30%014%0.136CC..Hα-helixtrans-71.7-31.1-175.8-70.80000113.1L413 L448 F449 Q454 L455 L456 I481L413-C452 HydrophobicContact CD1-CB 3.89Å; L413-C452 HydrophobicContact CD2-CB 3.81Å; L413-C452 HydrophobicContact CG-CB 4.34Å; L448-C452 WeakPolarHBondContact O-CB 3.33Å; L448-C452 PolarHBondContact O-N 3.17Å; L448-C452 PolarHBondContact O-SG 3.44Å; F449-C452 PolarHBondContact O-N 3.22Å; C452-Q454 VanDerWaalsContact C-N 3.34Å; C452-L455 WeakPolarHBondContact O-CB 3.44Å; C452-L455 PolarHBondContact O-N 3.4Å; C452-L456 WeakPolarHBondContact O-CB 3.31Å; C452-L456 PolarHBondContact O-N 3.07Å; C452-I481 HydrophobicContact CB-CD1 4.23Å
453I98.5Very high97.7Very high0 Ų026.2 Ų26.20%012%0.118CC..Hα-helixtrans-71.8-31.5175.6-163.464.4000111.8L380 I391 F406 A410 L413 F449 G450 L456 N457L380-I453 HydrophobicContact CD1-CG2 4.37Å; L380-I453 HydrophobicContact CD2-CG2 3.88Å; I391-I453 HydrophobicContact CD1-CG2 4.11Å; F406-I453 HydrophobicContact CE2-CG1 4.28Å; A410-I453 HydrophobicContact CB-CD1 4.33Å; L413-I453 HydrophobicContact CD2-CB 3.87Å; L413-I453 HydrophobicContact CD2-CD1 3.94Å; F449-I453 WeakPolarHBondContact O-CG2 3.39Å; F449-I453 PolarHBondContact O-N 2.97Å; G450-I453 WeakPolarHBondContact O-CG2 3.34Å; I453-L456 HydrophobicContact CD1-CD1 4.24Å; I453-N457 PolarHBondContact O-N 3.12Å; I453-N457 VanDerWaalsContact O-N 3.07Å; I453-N457 PolarHBondContact O-ND2 3.4Å
454Q98.4Very high97.6Very high52 Ų5230.4 Ų30.424%0.24313%0.134CC..Hα-helixtrans-68.8-43.2170.2-73175.579.600111.2T387 I391 G450 I451 C452 N457 K458T387-Q454 HydrophobicContact CG2-CG 3.66Å; I391-Q454 HydrophobicContact CD1-CG 4.06Å; G450-Q454 WeakPolarHBondContact O-CG 2.98Å; G450-Q454 PolarHBondContact O-NE2 3.48Å; I451-Q454 PolarHBondContact O-N 3.35Å; C452-Q454 VanDerWaalsContact C-N 3.34Å; Q454-N457 PolarHBondContact O-N 3.25Å; Q454-K458 WeakPolarHBondContact O-CB 3.44Å; Q454-K458 PolarHBondContact O-N 3.36Å
455L98.4Very high97.4Very high14 Ų1430.1 Ų30.17%0.07313%0.132CC..Hα-helixtrans-57.8-48.5172.7174.268.6000110.8I451 C452 N457 K458 T459 V477 Q480 I481 L499I451-L455 PolarHBondContact O-N 3.23Å; C452-L455 WeakPolarHBondContact O-CB 3.44Å; C452-L455 PolarHBondContact O-N 3.4Å; L455-N457 PolarHBondContact O-N 3.23Å; L455-K458 WeakPolarHBondContact O-CB 3.48Å; L455-K458 PolarHBondContact O-N 2.86Å; L455-K458 VanDerWaalsContact O-N 3.12Å; L455-T459 WeakPolarHBondContact O-CB 3.38Å; L455-T459 PolarHBondContact O-N 3.36Å; L455-T459 PolarHBondContact O-OG1 3.27Å; L455-V477 HydrophobicContact CD2-CG1 4.29Å; L455-Q480 HydrophobicContact CD2-CB 4.02Å; L455-I481 HydrophobicContact CD2-CG1 4.18Å; L455-L499 HydrophobicContact CD1-CB 4.4Å; L455-L499 HydrophobicContact CD2-CD1 3.93Å; L455-L499 HydrophobicContact CD2-CD2 3.74Å; L455-L499 HydrophobicContact CD2-CG 4.32Å
456L98.5Very high97.2Very high0 Ų031.2 Ų31.20%014%0.139CC..Hα-helixtrans-56.2-49.4179-175.7164.1000110.9C404 L413 C452 I453 K458 T459 W460 M474 V477C404-L456 VanDerWaalsContact SG-CD2 3.53Å; L413-L456 HydrophobicContact CB-CD1 4.28Å; L413-L456 HydrophobicContact CD2-CD1 4.47Å; C452-L456 WeakPolarHBondContact O-CB 3.31Å; C452-L456 PolarHBondContact O-N 3.07Å; I453-L456 HydrophobicContact CD1-CD1 4.24Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.74Å; L456-T459 PolarHBondContact O-N 3.14Å; L456-W460 VanDerWaalsContact O-CB 3.27Å; L456-W460 WeakPolarHBondContact O-CB 3.39Å; L456-W460 PolarHBondContact O-N 3.42Å; L456-M474 HydrophobicContact CD1-CE 3.96Å; L456-M474 HydrophobicContact CD1-SD 3.42Å; L456-M474 WeakPolarHBondContact CD1-SD 3.49Å; L456-M474 HydrophobicContact CG-SD 4.16Å; L456-V477 HydrophobicContact CB-CG2 4.18Å; L456-V477 HydrophobicContact CG-CG2 4.29Å
457N96.9Very high96.8Very high8 Ų833.4 Ų33.44%0.04316%0.159CC..Hα-helixtrans-62.1-38.8177.2-88.2-88.8000112.8I391 N395 I453 Q454 L455 K461I391-N457 WeakPolarHBondContact CG2-ND2 3.06Å; N395-N457 PolarHBondContact ND2-OD1 2.74Å; I453-N457 PolarHBondContact O-N 3.12Å; I453-N457 VanDerWaalsContact O-N 3.07Å; I453-N457 PolarHBondContact O-ND2 3.4Å; Q454-N457 PolarHBondContact O-N 3.25Å; L455-N457 PolarHBondContact O-N 3.23Å; N457-K461 WeakPolarHBondContact O-CG 3.27Å; N457-K461 PolarHBondContact O-N 2.98Å
458K97.4Very high96.5Very high85 Ų8540.5 Ų40.537%0.3719%0.193SC..Hα-helixtrans-63-52.4174.7177.1179.8168.9177.10111Q454 L455 L456 W460 K461 E462Q454-K458 WeakPolarHBondContact O-CB 3.44Å; Q454-K458 PolarHBondContact O-N 3.36Å; L455-K458 WeakPolarHBondContact O-CB 3.48Å; L455-K458 PolarHBondContact O-N 2.86Å; L455-K458 VanDerWaalsContact O-N 3.12Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.74Å; K458-W460 VanDerWaalsContact C-N 3.32Å; K458-W460 PolarHBondContact O-N 3Å; K458-K461 PolarHBondContact O-N 3.18Å; K458-K461 VanDerWaalsContact O-N 3.16Å; K458-E462 WeakPolarHBondContact CE-OE1 3.45Å; K458-E462 HydrophobicContact CG-CG 4.44Å; K458-E462 IonicContact NZ-OE1 3.24Å; K458-E462 WeakPolarHBondContact O-CG 2.93Å; K458-E462 PolarHBondContact O-N 3.07Å
459T97.7Very high96.2Very high0 Ų042.3 Ų42.30%020%0.202CC..Hα-helixtrans-61.6-40.3-179.6-610000111.3L455 L456 K461 E462 M463 V473 V476 V477 Q480L455-T459 WeakPolarHBondContact O-CB 3.38Å; L455-T459 PolarHBondContact O-N 3.36Å; L455-T459 PolarHBondContact O-OG1 3.27Å; L456-T459 PolarHBondContact O-N 3.14Å; T459-K461 VanDerWaalsContact C-N 3.32Å; T459-K461 PolarHBondContact O-N 3.34Å; T459-E462 PolarHBondContact O-N 3.38Å; T459-M463 HydrophobicContact CG2-CG 4.33Å; T459-M463 HydrophobicContact CG2-SD 3.83Å; T459-M463 WeakPolarHBondContact O-CB 3.28Å; T459-M463 VanDerWaalsContact O-CG 3.27Å; T459-M463 WeakPolarHBondContact O-CG 3.31Å; T459-M463 PolarHBondContact O-N 3.34Å; T459-V473 HydrophobicContact CG2-CG1 4.33Å; T459-V476 HydrophobicContact CG2-CB 4.21Å; T459-V476 HydrophobicContact CG2-CG1 3.62Å; T459-V477 HydrophobicContact CG2-CG2 4.17Å; T459-Q480 PolarHBondContact OG1-NE2 3.18Å; T459-Q480 VanDerWaalsContact OG1-NE2 3.1Å; T459-Q480 PolarHBondContact OG1-OE1 3.02Å
460W97.1Very high96Very high3 Ų342.4 Ų42.41%0.01120%0.203CC..Hα-helixtrans-55-46.8173.8-174.6-79.9000112.1H402 E403 C404 L456 K458 M463 R464 A465 T466 F470 V473H402-W460 PolarHBondContact O-NE1 3.12Å; E403-W460 WeakPolarHBondContact O-CZ2 3.26Å; C404-W460 HydrophobicContact CB-CD2 3.85Å; C404-W460 HydrophobicContact CB-CE3 4.41Å; C404-W460 HydrophobicContact CB-CG 3.89Å; L456-W460 VanDerWaalsContact O-CB 3.27Å; L456-W460 WeakPolarHBondContact O-CB 3.39Å; L456-W460 PolarHBondContact O-N 3.42Å; K458-W460 VanDerWaalsContact C-N 3.32Å; K458-W460 PolarHBondContact O-N 3Å; W460-M463 PolarHBondContact O-N 3.4Å; W460-R464 PolarHBondContact O-N 3.36Å; W460-A465 HydrophobicContact CD2-CB 3.85Å; W460-A465 HydrophobicContact CE3-CB 4.26Å; W460-A465 HydrophobicContact CG-CB 4.15Å; W460-A465 HydrophobicContact CZ2-CB 4.25Å; W460-A465 PolarHBondContact NE1-O 3.36Å; W460-A465 PolarHBondContact O-N 3.42Å; W460-A465 VanDerWaalsContact O-N 3.08Å; W460-T466 WeakPolarHBondContact CH2-O 3.32Å; W460-F470 HydrophobicContact CH2-CB 4.27Å; W460-F470 HydrophobicContact CH2-CD2 4.07Å; W460-F470 HydrophobicContact CZ3-CB 4.18Å; W460-F470 AromaticContact CZ3-CD2 3.68Å; W460-F470 HydrophobicContact CZ3-CD2 3.68Å; W460-F470 HydrophobicContact CZ3-CG 4.32Å; W460-V473 HydrophobicContact CB-CG1 4.31Å; W460-V473 HydrophobicContact CD2-CG2 4.46Å; W460-V473 HydrophobicContact CE3-CB 4.06Å; W460-V473 HydrophobicContact CE3-CG1 3.91Å; W460-V473 HydrophobicContact CE3-CG2 3.85Å; W460-V473 HydrophobicContact CZ3-CB 4.41Å; W460-V473 HydrophobicContact CZ3-CG2 4.19Å
461K95.4Very high95.6Very high84 Ų8447.4 Ų47.437%0.36523%0.229SC..Hα-helixtrans-68.3-42.5177.5-70.1172.5-178.6-177.80112.2E394 N457 K458 T459 M463 R464E394-K461 IonicContact OE2-NZ 3.15Å; E394-K461 PolarHBondContact OE2-NZ 3.24Å; N457-K461 WeakPolarHBondContact O-CG 3.27Å; N457-K461 PolarHBondContact O-N 2.98Å; K458-K461 PolarHBondContact O-N 3.18Å; K458-K461 VanDerWaalsContact O-N 3.16Å; T459-K461 VanDerWaalsContact C-N 3.32Å; T459-K461 PolarHBondContact O-N 3.34Å; K461-M463 VanDerWaalsContact C-N 3.25Å; K461-M463 PolarHBondContact O-N 3.03Å; K461-R464 PolarHBondContact O-N 2.74Å
462E95.8Very high95.4Very high70 Ų7052.4 Ų52.433%0.32725%0.25SC..Hα-helixtrans-60.7-36.3176.1-71.7178.7168.900112K458 T459 R464 Y504K458-E462 WeakPolarHBondContact CE-OE1 3.45Å; K458-E462 HydrophobicContact CG-CG 4.44Å; K458-E462 IonicContact NZ-OE1 3.24Å; K458-E462 WeakPolarHBondContact O-CG 2.93Å; K458-E462 PolarHBondContact O-N 3.07Å; T459-E462 PolarHBondContact O-N 3.38Å; E462-R464 VanDerWaalsContact C-N 3.29Å; E462-Y504 HydrophobicContact CB-CD1 4.43Å; E462-Y504 VanDerWaalsContact OE2-CB 3.27Å; E462-Y504 WeakPolarHBondContact OE2-CB 3.37Å; E462-Y504 PolarHBondContact OE2-N 3.43Å
463M95.3Very high95.3Very high37 Ų3752.4 Ų52.418%0.18225%0.25CC..THydrogen-bonded Turntrans-78.6-10.9176.2-69.6179.965.500113.5T459 W460 K461 A465 K472 V473 V476 Y504T459-M463 HydrophobicContact CG2-CG 4.33Å; T459-M463 HydrophobicContact CG2-SD 3.83Å; T459-M463 WeakPolarHBondContact O-CB 3.28Å; T459-M463 VanDerWaalsContact O-CG 3.27Å; T459-M463 WeakPolarHBondContact O-CG 3.31Å; T459-M463 PolarHBondContact O-N 3.34Å; W460-M463 PolarHBondContact O-N 3.4Å; K461-M463 VanDerWaalsContact C-N 3.25Å; K461-M463 PolarHBondContact O-N 3.03Å; M463-A465 HydrophobicContact CB-CB 4.14Å; M463-A465 PolarHBondContact O-N 3.26Å; M463-K472 HydrophobicContact CE-CB 4.47Å; M463-V473 HydrophobicContact CE-CG2 3.86Å; M463-V473 HydrophobicContact SD-CB 4.19Å; M463-V473 HydrophobicContact SD-CG1 4.27Å; M463-V473 HydrophobicContact SD-CG2 3.76Å; M463-V476 HydrophobicContact CE-CG2 4.23Å; M463-V476 HydrophobicContact SD-CB 4.23Å; M463-V476 HydrophobicContact SD-CG1 4.46Å; M463-V476 HydrophobicContact SD-CG2 3.99Å; M463-Y504 HydrophobicContact CB-CE1 4.42Å; M463-Y504 HydrophobicContact CE-CE2 4.15Å; M463-Y504 HydrophobicContact CG-CD1 3.71Å; M463-Y504 HydrophobicContact CG-CD2 3.58Å; M463-Y504 HydrophobicContact CG-CE1 3.74Å; M463-Y504 HydrophobicContact CG-CE2 3.6Å; M463-Y504 HydrophobicContact CG-CG 3.63Å; M463-Y504 HydrophobicContact SD-CD2 3.99Å; M463-Y504 HydrophobicContact SD-CE2 3.93Å
464R93.9Very high95.2Very high205 Ų20552.8 Ų52.877%0.77425%0.252SS*.THydrogen-bonded Turntrans4742.2-167-56.5-177.4179.5-165.6-0.4111.1H402 W460 K461 E462H402-R464 PolarHBondContact CE1-O 3.38Å; H402-R464 PolarHBondContact ND1-O 2.76Å; W460-R464 PolarHBondContact O-N 3.36Å; K461-R464 PolarHBondContact O-N 2.74Å; E462-R464 VanDerWaalsContact C-N 3.29Å
465A93.2Very high95Very high1 Ų156.3 Ų56.31%0.00827%0.268CS..  trans-68.3158.3-171.200000112.1H402 W460 M463 D469 V473H402-A465 WeakPolarHBondContact CA-O 3.47Å; H402-A465 PolarHBondContact ND1-O 2.91Å; W460-A465 HydrophobicContact CD2-CB 3.85Å; W460-A465 HydrophobicContact CE3-CB 4.26Å; W460-A465 HydrophobicContact CG-CB 4.15Å; W460-A465 HydrophobicContact CZ2-CB 4.25Å; W460-A465 PolarHBondContact NE1-O 3.36Å; W460-A465 PolarHBondContact O-N 3.42Å; W460-A465 VanDerWaalsContact O-N 3.08Å; M463-A465 HydrophobicContact CB-CB 4.14Å; M463-A465 PolarHBondContact O-N 3.26Å; A465-D469 HydrophobicContact CB-CB 4.09Å; A465-V473 HydrophobicContact CB-CG2 3.42Å; A465-V473 VanDerWaalsContact CB-CG2 3.42Å
466T93.4Very high95Very high31 Ų3155.8 Ų55.819%0.1927%0.265CS..  trans-119.2175.4168.667.80000110K401 W460 E468 D469K401-T466 HydrophobicContact CB-CG2 4.06Å; K401-T466 VanDerWaalsContact O-CA 3.3Å; K401-T466 WeakPolarHBondContact O-CA 3.37Å; K401-T466 WeakPolarHBondContact O-CB 3.49Å; K401-T466 WeakPolarHBondContact O-CG2 3.38Å; W460-T466 WeakPolarHBondContact CH2-O 3.32Å; T466-E468 PolarHBondContact O-N 3.22Å; T466-E468 VanDerWaalsContact O-N 3.08Å; T466-D469 PolarHBondContact N-OD2 3.22Å; T466-D469 PolarHBondContact O-N 3.43Å; T466-D469 PolarHBondContact OG1-OD2 2.86Å
467A91.3Very high95Very high58 Ų5855.8 Ų55.848%0.47927%0.265SS..G310 helixtrans-54.7-27.4176.600000114.1F470A467-F470 WeakPolarHBondContact O-CB 3.41Å
468E92.1Very high95.1Very high181 Ų18158.9 Ų58.985%0.84628%0.276SS*.G310 helixtrans-72.7-28.2177-64.9-179.6-170.600112.7T466 F470T466-E468 PolarHBondContact O-N 3.22Å; T466-E468 VanDerWaalsContact O-N 3.08Å; E468-F470 VanDerWaalsContact C-N 3.3Å; E468-F470 PolarHBondContact O-N 2.87Å
469D91.8Very high95Very high41 Ų4156.3 Ų56.322%0.21927%0.266CS..G310 helixtrans-87.10.4179.7-65.1-57.7000113.2A465 T466 N471 K472 V473A465-D469 HydrophobicContact CB-CB 4.09Å; T466-D469 PolarHBondContact N-OD2 3.22Å; T466-D469 PolarHBondContact O-N 3.43Å; T466-D469 PolarHBondContact OG1-OD2 2.86Å; D469-N471 VanDerWaalsContact C-N 3.31Å; D469-N471 PolarHBondContact O-N 3.28Å; D469-N471 VanDerWaalsContact O-N 3.16Å; D469-K472 WeakPolarHBondContact O-CA 3.35Å; D469-K472 WeakPolarHBondContact O-CB 3.48Å; D469-K472 PolarHBondContact O-N 3.39Å; D469-K472 IonicContact OD1-NZ 3.2Å; D469-K472 PolarHBondContact OD1-NZ 2.92Å; D469-V473 PolarHBondContact O-N 2.89Å
470F94.6Very high95.1Very high2 Ų256.4 Ų56.41%0.00927%0.266CS..Hα-helixtrans-46.7-51.3-173.5-179.3-87.6000113P405 R408 S409 E412 W460 A467 E468 K472 V473 M474P405-F470 HydrophobicContact CG-CD2 4Å; P405-F470 HydrophobicContact CG-CE2 4.02Å; R408-F470 HydrophobicContact CB-CE2 4.33Å; R408-F470 HydrophobicContact CB-CZ 4.41Å; R408-F470 HydrophobicContact CG-CE1 4.2Å; R408-F470 HydrophobicContact CG-CE2 3.9Å; R408-F470 HydrophobicContact CG-CZ 3.66Å; S409-F470 WeakPolarHBondContact OG-CE2 3.33Å; E412-F470 HydrophobicContact CB-CE1 4.07Å; E412-F470 HydrophobicContact CB-CZ 3.96Å; E412-F470 HydrophobicContact CG-CE1 4.03Å; E412-F470 HydrophobicContact CG-CZ 4.36Å; W460-F470 HydrophobicContact CH2-CB 4.27Å; W460-F470 HydrophobicContact CH2-CD2 4.07Å; W460-F470 HydrophobicContact CZ3-CB 4.18Å; W460-F470 AromaticContact CZ3-CD2 3.68Å; W460-F470 HydrophobicContact CZ3-CD2 3.68Å; W460-F470 HydrophobicContact CZ3-CG 4.32Å; A467-F470 WeakPolarHBondContact O-CB 3.41Å; E468-F470 VanDerWaalsContact C-N 3.3Å; E468-F470 PolarHBondContact O-N 2.87Å; F470-K472 VanDerWaalsContact C-N 3.31Å; F470-K472 PolarHBondContact O-N 2.74Å; F470-V473 PolarHBondContact O-N 2.79Å; F470-M474 HydrophobicContact CD1-CG 4.16Å; F470-M474 HydrophobicContact CE1-CG 3.79Å; F470-M474 HydrophobicContact CZ-CG 4.08Å; F470-M474 HydrophobicContact CZ-SD 4.42Å; F470-M474 WeakPolarHBondContact O-CG 3.37Å; F470-M474 PolarHBondContact O-N 2.85Å
471N91.6Very high95.1Very high109 Ų10956.3 Ų56.358%0.58327%0.266SS*.Hα-helixtrans-64.3-35.2-179.1-65.6-23.9000112.5D469 M474 Q475D469-N471 VanDerWaalsContact C-N 3.31Å; D469-N471 PolarHBondContact O-N 3.28Å; D469-N471 VanDerWaalsContact O-N 3.16Å; N471-M474 PolarHBondContact O-N 2.96Å; N471-Q475 PolarHBondContact O-N 3.5Å
472K92.8Very high95.2Very high120 Ų12055.3 Ų55.352%0.52227%0.267SS..Hα-helixtrans-68.8-41.8177.1-58.9176.8-166.6153.80110.8M463 D469 F470 M474 Q475 V476M463-K472 HydrophobicContact CE-CB 4.47Å; D469-K472 WeakPolarHBondContact O-CA 3.35Å; D469-K472 WeakPolarHBondContact O-CB 3.48Å; D469-K472 PolarHBondContact O-N 3.39Å; D469-K472 IonicContact OD1-NZ 3.2Å; D469-K472 PolarHBondContact OD1-NZ 2.92Å; F470-K472 VanDerWaalsContact C-N 3.31Å; F470-K472 PolarHBondContact O-N 2.74Å; K472-M474 VanDerWaalsContact C-N 3.33Å; K472-Q475 WeakPolarHBondContact O-CB 3.47Å; K472-Q475 PolarHBondContact O-N 3.08Å; K472-V476 WeakPolarHBondContact O-CG2 3.33Å; K472-V476 PolarHBondContact O-N 3.1Å
473V97.1Very high95.2Very high0 Ų055.9 Ų55.90%027%0.266CS..Hα-helixtrans-60.3-46.9174.9-179.30000109.8T459 W460 M463 A465 D469 F470 Q475 V476 V477T459-V473 HydrophobicContact CG2-CG1 4.33Å; W460-V473 HydrophobicContact CB-CG1 4.31Å; W460-V473 HydrophobicContact CD2-CG2 4.46Å; W460-V473 HydrophobicContact CE3-CB 4.06Å; W460-V473 HydrophobicContact CE3-CG1 3.91Å; W460-V473 HydrophobicContact CE3-CG2 3.85Å; W460-V473 HydrophobicContact CZ3-CB 4.41Å; W460-V473 HydrophobicContact CZ3-CG2 4.19Å; M463-V473 HydrophobicContact CE-CG2 3.86Å; M463-V473 HydrophobicContact SD-CB 4.19Å; M463-V473 HydrophobicContact SD-CG1 4.27Å; M463-V473 HydrophobicContact SD-CG2 3.76Å; A465-V473 HydrophobicContact CB-CG2 3.42Å; A465-V473 VanDerWaalsContact CB-CG2 3.42Å; D469-V473 PolarHBondContact O-N 2.89Å; F470-V473 PolarHBondContact O-N 2.79Å; V473-Q475 VanDerWaalsContact C-N 3.29Å; V473-Q475 PolarHBondContact O-N 3.16Å; V473-V476 PolarHBondContact O-N 2.85Å; V473-V476 VanDerWaalsContact O-N 3.12Å; V473-V477 HydrophobicContact CG1-CG2 4.3Å; V473-V477 WeakPolarHBondContact O-CG2 3.39Å; V473-V477 PolarHBondContact O-N 2.65Å
474M97.2Very high95.3Very high8 Ų854.1 Ų54.14%0.03926%0.257CS..Hα-helixtrans-59-40176.5-67.7-51.5-75.100112.1E412 L413 M416 L456 F470 N471 K472 V477 R478E412-M474 HydrophobicContact CB-CE 3.81Å; E412-M474 HydrophobicContact CG-CE 3.55Å; E412-M474 HydrophobicContact CG-CG 3.99Å; E412-M474 HydrophobicContact CG-SD 4.46Å; L413-M474 HydrophobicContact CB-CE 4.07Å; M416-M474 HydrophobicContact CE-CB 3.78Å; M416-M474 HydrophobicContact CE-CE 3.43Å; M416-M474 VanDerWaalsContact CE-CE 3.43Å; M416-M474 WeakPolarHBondContact CE-O 3.47Å; M416-M474 HydrophobicContact CE-SD 4.4Å; M416-M474 HydrophobicContact SD-CE 4.43Å; L456-M474 HydrophobicContact CD1-CE 3.96Å; L456-M474 HydrophobicContact CD1-SD 3.42Å; L456-M474 WeakPolarHBondContact CD1-SD 3.49Å; L456-M474 HydrophobicContact CG-SD 4.16Å; F470-M474 HydrophobicContact CD1-CG 4.16Å; F470-M474 HydrophobicContact CE1-CG 3.79Å; F470-M474 HydrophobicContact CZ-CG 4.08Å; F470-M474 HydrophobicContact CZ-SD 4.42Å; F470-M474 WeakPolarHBondContact O-CG 3.37Å; F470-M474 PolarHBondContact O-N 2.85Å; N471-M474 PolarHBondContact O-N 2.96Å; K472-M474 VanDerWaalsContact C-N 3.33Å; M474-V477 PolarHBondContact O-N 3.24Å; M474-R478 WeakPolarHBondContact O-CB 3.36Å; M474-R478 PolarHBondContact O-N 3.44Å
475Q94.9Very high95.4Very high126 Ų12645.1 Ų45.159%0.58922%0.224SC*.Hα-helixtrans-63.6-41.4175-170.7-175.73.200112.7N471 K472 V473 R478 E479N471-Q475 PolarHBondContact O-N 3.5Å; K472-Q475 WeakPolarHBondContact O-CB 3.47Å; K472-Q475 PolarHBondContact O-N 3.08Å; V473-Q475 VanDerWaalsContact C-N 3.29Å; V473-Q475 PolarHBondContact O-N 3.16Å; Q475-R478 WeakPolarHBondContact O-CB 3.32Å; Q475-R478 PolarHBondContact O-N 2.97Å; Q475-E479 PolarHBondContact O-N 2.97Å
476V97.1Very high95.4Very high2 Ų249.6 Ų49.61%0.01225%0.253CS..Hα-helixtrans-63.2-44.3174.5174.20000110.6T459 M463 K472 V473 R478 E479 Q480 Y504 I507T459-V476 HydrophobicContact CG2-CB 4.21Å; T459-V476 HydrophobicContact CG2-CG1 3.62Å; M463-V476 HydrophobicContact CE-CG2 4.23Å; M463-V476 HydrophobicContact SD-CB 4.23Å; M463-V476 HydrophobicContact SD-CG1 4.46Å; M463-V476 HydrophobicContact SD-CG2 3.99Å; K472-V476 WeakPolarHBondContact O-CG2 3.33Å; K472-V476 PolarHBondContact O-N 3.1Å; V473-V476 PolarHBondContact O-N 2.85Å; V473-V476 VanDerWaalsContact O-N 3.12Å; V476-R478 VanDerWaalsContact C-N 3.35Å; V476-R478 PolarHBondContact O-N 2.89Å; V476-E479 PolarHBondContact O-N 2.89Å; V476-Q480 HydrophobicContact CG1-CG 4.39Å; V476-Q480 WeakPolarHBondContact O-CG 3.44Å; V476-Q480 PolarHBondContact O-N 3.34Å; V476-Y504 HydrophobicContact CG1-CD2 4.04Å; V476-Y504 HydrophobicContact CG2-CD2 4.44Å; V476-Y504 HydrophobicContact CG2-CE2 4.31Å; V476-I507 HydrophobicContact CG1-CG2 4.38Å
477V98.6Very high95.3Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-62-42.6177.6172.80000111.3L413 M416 L455 L456 T459 V473 M474 E479 Q480 I481L413-V477 HydrophobicContact CD1-CG1 4.44Å; M416-V477 HydrophobicContact SD-CG1 4.37Å; L455-V477 HydrophobicContact CD2-CG1 4.29Å; L456-V477 HydrophobicContact CB-CG2 4.18Å; L456-V477 HydrophobicContact CG-CG2 4.29Å; T459-V477 HydrophobicContact CG2-CG2 4.17Å; V473-V477 HydrophobicContact CG1-CG2 4.3Å; V473-V477 WeakPolarHBondContact O-CG2 3.39Å; V473-V477 PolarHBondContact O-N 2.65Å; M474-V477 PolarHBondContact O-N 3.24Å; V477-E479 VanDerWaalsContact C-N 3.33Å; V477-E479 PolarHBondContact O-N 3.35Å; V477-Q480 PolarHBondContact O-N 2.85Å; V477-I481 HydrophobicContact CG1-CD1 3.88Å; V477-I481 VanDerWaalsContact O-CG1 3.32Å; V477-I481 WeakPolarHBondContact O-CG1 3.39Å; V477-I481 PolarHBondContact O-N 2.97Å
478R98.4Very high95.4Very high73 Ų7350.9 Ų50.928%0.27525%0.253SS..Hα-helixtrans-55.1-50.7172.5-175.1178.5-64-100.44.3110.5M416 E419 I420 M474 Q475 V476 Q480 I481 T482M416-R478 HydrophobicContact CE-CB 3.91Å; M416-R478 HydrophobicContact CG-CB 4.34Å; M416-R478 HydrophobicContact CG-CG 4.35Å; M416-R478 HydrophobicContact SD-CB 3.66Å; M416-R478 HydrophobicContact SD-CG 4.29Å; E419-R478 IonicContact OE2-CZ 2.81Å; E419-R478 IonicContact OE2-NH1 2.81Å; E419-R478 PolarHBondContact OE2-NH1 3.24Å; E419-R478 IonicContact OE2-NH2 3.88Å; E419-R478 PolarHBondContact OE2-NH2 3.01Å; I420-R478 HydrophobicContact CD1-CG 4.15Å; M474-R478 WeakPolarHBondContact O-CB 3.36Å; M474-R478 PolarHBondContact O-N 3.44Å; Q475-R478 WeakPolarHBondContact O-CB 3.32Å; Q475-R478 PolarHBondContact O-N 2.97Å; V476-R478 VanDerWaalsContact C-N 3.35Å; V476-R478 PolarHBondContact O-N 2.89Å; R478-Q480 PolarHBondContact O-N 3.32Å; R478-I481 PolarHBondContact O-N 3.12Å; R478-T482 HydrophobicContact CG-CG2 4.27Å; R478-T482 WeakPolarHBondContact O-CG2 3.39Å; R478-T482 PolarHBondContact O-N 3.06Å; R478-T482 PolarHBondContact O-OG1 2.87Å; R478-T482 VanDerWaalsContact O-OG1 3.06Å
479E96.9Very high95.6Very high32 Ų3242.5 Ų42.515%0.1522%0.215CC..Hα-helixtrans-62.2-40.3-179.8-172176172.700112.6Q475 V476 V477 I481 T482 R483 R511Q475-E479 PolarHBondContact O-N 2.97Å; V476-E479 PolarHBondContact O-N 2.89Å; V477-E479 VanDerWaalsContact C-N 3.33Å; V477-E479 PolarHBondContact O-N 3.35Å; E479-I481 VanDerWaalsContact C-N 3.34Å; E479-I481 PolarHBondContact O-N 3.47Å; E479-T482 WeakPolarHBondContact CA-OG1 3.35Å; E479-T482 PolarHBondContact O-N 3.46Å; E479-T482 PolarHBondContact O-OG1 3.44Å; E479-R483 HydrophobicContact CG-CG 4.19Å; E479-R483 VanDerWaalsContact O-CB 3.27Å; E479-R483 WeakPolarHBondContact O-CB 3.39Å; E479-R483 VanDerWaalsContact O-CG 3.31Å; E479-R483 WeakPolarHBondContact O-CG 3.27Å; E479-R483 PolarHBondContact O-N 3.42Å; E479-R483 IonicContact OE1-CZ 2.74Å; E479-R483 VanDerWaalsContact OE1-CZ 3.25Å; E479-R483 IonicContact OE1-NE 2.62Å; E479-R483 PolarHBondContact OE1-NE 3.46Å; E479-R483 IonicContact OE1-NH2 2.77Å; E479-R483 PolarHBondContact OE1-NH2 2.87Å; E479-R511 IonicContact OE1-NE 3.21Å; E479-R511 IonicContact OE2-CZ 2.67Å; E479-R511 IonicContact OE2-NE 3.09Å; E479-R511 PolarHBondContact OE2-NE 3.18Å; E479-R511 IonicContact OE2-NH2 2.83Å; E479-R511 PolarHBondContact OE2-NH2 3.39Å
480Q98.2Very high95.7Very high1 Ų145 Ų451%0.00523%0.228CC..Hα-helixtrans-59.6-44.5175-71.8170.9-47.400111.4L455 T459 V476 V477 R478 A484 L499 L502 I507L455-Q480 HydrophobicContact CD2-CB 4.02Å; T459-Q480 PolarHBondContact OG1-NE2 3.18Å; T459-Q480 VanDerWaalsContact OG1-NE2 3.1Å; T459-Q480 PolarHBondContact OG1-OE1 3.02Å; V476-Q480 HydrophobicContact CG1-CG 4.39Å; V476-Q480 WeakPolarHBondContact O-CG 3.44Å; V476-Q480 PolarHBondContact O-N 3.34Å; V477-Q480 PolarHBondContact O-N 2.85Å; R478-Q480 PolarHBondContact O-N 3.32Å; Q480-A484 WeakPolarHBondContact O-CB 3.37Å; Q480-A484 PolarHBondContact O-N 2.88Å; Q480-L499 HydrophobicContact CB-CD2 4.32Å; Q480-L502 PolarHBondContact NE2-O 3Å; Q480-I507 HydrophobicContact CG-CD1 3.96Å; Q480-I507 HydrophobicContact CG-CG1 3.72Å
481I98.4Very high95.8Very high2 Ų246.2 Ų46.21%0.0124%0.237CC..Hα-helixtrans-67.4-50.2178.4-64.4164.1000110.3L413 M416 L417 I420 C452 L455 V477 R478 E479 R483 A484 L485 F495L413-I481 HydrophobicContact CD1-CD1 4.44Å; M416-I481 HydrophobicContact SD-CD1 4.38Å; L417-I481 HydrophobicContact CD2-CD1 4.12Å; I420-I481 HydrophobicContact CD1-CB 4.18Å; I420-I481 HydrophobicContact CD1-CD1 4.48Å; I420-I481 HydrophobicContact CD1-CG2 3.82Å; I420-I481 HydrophobicContact CG2-CG2 4.39Å; C452-I481 HydrophobicContact CB-CD1 4.23Å; L455-I481 HydrophobicContact CD2-CG1 4.18Å; V477-I481 HydrophobicContact CG1-CD1 3.88Å; V477-I481 VanDerWaalsContact O-CG1 3.32Å; V477-I481 WeakPolarHBondContact O-CG1 3.39Å; V477-I481 PolarHBondContact O-N 2.97Å; R478-I481 PolarHBondContact O-N 3.12Å; E479-I481 VanDerWaalsContact C-N 3.34Å; E479-I481 PolarHBondContact O-N 3.47Å; I481-R483 VanDerWaalsContact C-N 3.32Å; I481-R483 PolarHBondContact O-N 3.28Å; I481-A484 PolarHBondContact O-N 3.29Å; I481-L485 HydrophobicContact CG2-CD1 4.04Å; I481-L485 HydrophobicContact CG2-CG 4.37Å; I481-L485 WeakPolarHBondContact O-CG 3.37Å; I481-L485 PolarHBondContact O-N 3.44Å; I481-F495 HydrophobicContact CG2-CZ 4.22Å
482T97Very high96.1Very high62 Ų6241.9 Ų41.938%0.3821%0.213SC..Hα-helixtrans-69-26.5-176.857.60000113.1I420 R478 E479 P486I420-T482 HydrophobicContact CD1-CG2 4.06Å; I420-T482 HydrophobicContact CG1-CG2 4.05Å; I420-T482 HydrophobicContact CG2-CG2 4.39Å; R478-T482 HydrophobicContact CG-CG2 4.27Å; R478-T482 WeakPolarHBondContact O-CG2 3.39Å; R478-T482 PolarHBondContact O-N 3.06Å; R478-T482 PolarHBondContact O-OG1 2.87Å; R478-T482 VanDerWaalsContact O-OG1 3.06Å; E479-T482 WeakPolarHBondContact CA-OG1 3.35Å; E479-T482 PolarHBondContact O-N 3.46Å; E479-T482 PolarHBondContact O-OG1 3.44Å; T482-P486 WeakPolarHBondContact O-CD 3.5Å; T482-P486 WeakPolarHBondContact O-CG 3.22Å
483R95.7Very high96.4Very high83 Ų8341.9 Ų41.931%0.31322%0.219SC..Hα-helixtrans-78.3-21.9170.3-72.2-172.2-176.1-108.96.5113E479 I481 L502 E514E479-R483 HydrophobicContact CG-CG 4.19Å; E479-R483 VanDerWaalsContact O-CB 3.27Å; E479-R483 WeakPolarHBondContact O-CB 3.39Å; E479-R483 VanDerWaalsContact O-CG 3.31Å; E479-R483 WeakPolarHBondContact O-CG 3.27Å; E479-R483 PolarHBondContact O-N 3.42Å; E479-R483 IonicContact OE1-CZ 2.74Å; E479-R483 VanDerWaalsContact OE1-CZ 3.25Å; E479-R483 IonicContact OE1-NE 2.62Å; E479-R483 PolarHBondContact OE1-NE 3.46Å; E479-R483 IonicContact OE1-NH2 2.77Å; E479-R483 PolarHBondContact OE1-NH2 2.87Å; I481-R483 VanDerWaalsContact C-N 3.32Å; I481-R483 PolarHBondContact O-N 3.28Å; R483-L502 HydrophobicContact CB-CD1 4.27Å; R483-E514 IonicContact CZ-OE1 2.71Å; R483-E514 IonicContact NH1-OE1 3.69Å; R483-E514 PolarHBondContact NH1-OE1 3.4Å; R483-E514 VanDerWaalsContact NH1-OE1 3.1Å; R483-E514 IonicContact NH2-OE1 3.29Å; R483-E514 PolarHBondContact NH2-OE1 3.22Å; R483-E514 IonicContact NH2-OE2 3.42Å; R483-E514 PolarHBondContact NH2-OE2 3.33Å
484A97.5Very high96.4Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-83.6-37.7178.200000113.1Q480 I481 S487 F495 K498 L499 L502Q480-A484 WeakPolarHBondContact O-CB 3.37Å; Q480-A484 PolarHBondContact O-N 2.88Å; I481-A484 PolarHBondContact O-N 3.29Å; A484-S487 PolarHBondContact O-N 3.03Å; A484-S487 PolarHBondContact O-OG 3.37Å; A484-F495 HydrophobicContact CB-CD2 4.06Å; A484-F495 HydrophobicContact CB-CE2 3.63Å; A484-K498 HydrophobicContact CB-CB 4.48Å; A484-K498 HydrophobicContact CB-CG 3.87Å; A484-L499 HydrophobicContact CB-CD2 3.85Å; A484-L499 HydrophobicContact CB-CG 4.44Å; A484-L502 HydrophobicContact CB-CD1 3.93Å
485L95.3Very high96.5Very high15 Ų1546.2 Ų46.28%0.07924%0.239CC..G310 helixtrans-59.1-39.1-176.5-71.7170.3000115.3I420 M437 I481 S487 K488 F495I420-L485 HydrophobicContact CG2-CD1 3.46Å; I420-L485 VanDerWaalsContact CG2-CD1 3.46Å; M437-L485 HydrophobicContact CE-CD2 3.53Å; I481-L485 HydrophobicContact CG2-CD1 4.04Å; I481-L485 HydrophobicContact CG2-CG 4.37Å; I481-L485 WeakPolarHBondContact O-CG 3.37Å; I481-L485 PolarHBondContact O-N 3.44Å; L485-S487 PolarHBondContact O-N 3.06Å; L485-K488 PolarHBondContact O-N 3.05Å; L485-K488 VanDerWaalsContact O-N 3.07Å; L485-F495 HydrophobicContact CD2-CE2 4.09Å; L485-F495 HydrophobicContact CG-CE2 4.34Å
486P93.1Very high96.6Very high95 Ų9543.7 Ų43.762%0.61723%0.227SC*.G310 helixtrans-63.2-19.5179.1-26.235.9000114.3T482 K488T482-P486 WeakPolarHBondContact O-CD 3.5Å; T482-P486 WeakPolarHBondContact O-CG 3.22Å; P486-K488 PolarHBondContact O-N 3.21Å; P486-K488 VanDerWaalsContact O-N 3.16Å
487S92.3Very high96.6Very high63 Ų6346.4 Ų46.444%0.44125%0.245SC..G310 helixtrans-754174.880.10000113.5A484 L485A484-S487 PolarHBondContact O-N 3.03Å; A484-S487 PolarHBondContact O-OG 3.37Å; L485-S487 PolarHBondContact O-N 3.06Å
488K92.7Very high96.5Very high53 Ų5350.1 Ų50.123%0.2326%0.261CS..  trans4460.3177.4-63.4-65176.7178.40113.5D433 Y434 L485 P486 N490D433-K488 WeakPolarHBondContact OD1-CE 3.48Å; D433-K488 IonicContact OD1-NZ 3.54Å; D433-K488 PolarHBondContact OD1-NZ 2.86Å; D433-K488 VanDerWaalsContact OD2-CE 3.27Å; D433-K488 WeakPolarHBondContact OD2-CE 3.09Å; D433-K488 IonicContact OD2-NZ 3.53Å; D433-K488 PolarHBondContact OD2-NZ 3.43Å; Y434-K488 PolarHBondContact O-NZ 3.25Å; L485-K488 PolarHBondContact O-N 3.05Å; L485-K488 VanDerWaalsContact O-N 3.07Å; P486-K488 PolarHBondContact O-N 3.21Å; P486-K488 VanDerWaalsContact O-N 3.16Å; K488-N490 PolarHBondContact O-N 2.9Å
489P95.7Very high96.5Very high5 Ų547 Ų473%0.03225%0.25CS..  trans-58.6133.317827.6-36000110.6M437 S491 Q494 F495M437-P489 PolarHBondContact N-O 3.18Å; M437-P489 HydrophobicContact SD-CG 3.69Å; P489-S491 VanDerWaalsContact C-N 3.28Å; P489-S491 PolarHBondContact O-N 3.16Å; P489-Q494 HydrophobicContact CB-CB 3.96Å; P489-F495 HydrophobicContact CB-CB 3.92Å; P489-F495 HydrophobicContact CG-CB 3.82Å; P489-F495 HydrophobicContact CG-CD2 4.01Å; P489-F495 HydrophobicContact CG-CG 4.37Å
490N94.6Very high96.4Very high95 Ų9552.3 Ų52.351%0.50827%0.269SS..SBendtrans-83.9-5.7-178-65.7-48.3000113.1T440 K488T440-N490 VanDerWaalsContact CG2-O 3.28Å; T440-N490 WeakPolarHBondContact CG2-O 3.27Å; K488-N490 PolarHBondContact O-N 2.9Å
491S97.6Very high96.2Very high27 Ų2755.4 Ų55.419%0.18929%0.291CS..SBendtrans-153.6161.517570.80000111.3P489 D493 Q494 F495P489-S491 VanDerWaalsContact C-N 3.28Å; P489-S491 PolarHBondContact O-N 3.16Å; S491-D493 PolarHBondContact O-N 3.5Å; S491-Q494 PolarHBondContact O-N 3.06Å; S491-Q494 PolarHBondContact OG-N 3.37Å; S491-F495 PolarHBondContact O-N 2.85Å
492L97.9Very high96.1Very high17 Ų1755.8 Ų55.89%0.08929%0.293CS..Hα-helixtrans-61.1-32.1174.5-68.5162.9000112.1M437 H441 E447 L448 I451 F495 K496M437-L492 HydrophobicContact SD-CD2 4.33Å; H441-L492 HydrophobicContact CB-CD1 3.89Å; E447-L492 HydrophobicContact CB-CD1 3.61Å; E447-L492 HydrophobicContact CG-CD1 4.15Å; L448-L492 HydrophobicContact CB-CD2 4.5Å; I451-L492 HydrophobicContact CD1-CB 3.91Å; I451-L492 HydrophobicContact CD1-CD2 4.26Å; L492-F495 WeakPolarHBondContact O-CB 3.46Å; L492-F495 PolarHBondContact O-N 3.22Å; L492-K496 WeakPolarHBondContact O-CB 3.48Å; L492-K496 PolarHBondContact O-N 3Å
493D97.4Very high96.1Very high121 Ų12154 Ų5465%0.64728%0.282SS*.Hα-helixtrans-68-39.6173.9-71.9-46000113.2S491 F495 K496 S497S491-D493 PolarHBondContact O-N 3.5Å; D493-F495 VanDerWaalsContact C-N 3.32Å; D493-K496 PolarHBondContact O-N 2.91Å; D493-S497 WeakPolarHBondContact O-CB 3.29Å; D493-S497 PolarHBondContact O-N 3.44Å
494Q98Very high96.1Very high98 Ų9852.7 Ų52.746%0.45828%0.278SS..Hα-helixtrans-64.7-40.8174-75.1-175.2100110.8P489 S491 S497 K498P489-Q494 HydrophobicContact CB-CB 3.96Å; S491-Q494 PolarHBondContact O-N 3.06Å; S491-Q494 PolarHBondContact OG-N 3.37Å; Q494-S497 WeakPolarHBondContact O-CB 3.35Å; Q494-S497 PolarHBondContact O-N 3.2Å; Q494-K498 PolarHBondContact O-N 3.43Å
495F98.3Very high95.9Very high0 Ų056.5 Ų56.50%031%0.305CS..Hα-helixtrans-59.7-48.3173178.2-108.3000111.5M437 L448 I451 I481 A484 L485 P489 S491 L492 D493 S497 K498 L499M437-F495 HydrophobicContact CE-CD2 4.38Å; M437-F495 HydrophobicContact CE-CG 4.44Å; M437-F495 HydrophobicContact SD-CB 3.75Å; M437-F495 HydrophobicContact SD-CD1 4.48Å; M437-F495 HydrophobicContact SD-CD2 4.15Å; M437-F495 HydrophobicContact SD-CG 3.88Å; L448-F495 HydrophobicContact CD1-CD1 3.87Å; L448-F495 HydrophobicContact CD1-CE1 3.3Å; L448-F495 HydrophobicContact CD1-CZ 3.86Å; I451-F495 HydrophobicContact CG2-CD1 4.18Å; I451-F495 HydrophobicContact CG2-CE1 4.19Å; I481-F495 HydrophobicContact CG2-CZ 4.22Å; A484-F495 HydrophobicContact CB-CD2 4.06Å; A484-F495 HydrophobicContact CB-CE2 3.63Å; L485-F495 HydrophobicContact CD2-CE2 4.09Å; L485-F495 HydrophobicContact CG-CE2 4.34Å; P489-F495 HydrophobicContact CB-CB 3.92Å; P489-F495 HydrophobicContact CG-CB 3.82Å; P489-F495 HydrophobicContact CG-CD2 4.01Å; P489-F495 HydrophobicContact CG-CG 4.37Å; S491-F495 PolarHBondContact O-N 2.85Å; L492-F495 WeakPolarHBondContact O-CB 3.46Å; L492-F495 PolarHBondContact O-N 3.22Å; D493-F495 VanDerWaalsContact C-N 3.32Å; F495-S497 VanDerWaalsContact C-N 3.27Å; F495-S497 PolarHBondContact O-N 3.13Å; F495-K498 WeakPolarHBondContact O-CB 3.48Å; F495-K498 PolarHBondContact O-N 2.74Å; F495-K498 VanDerWaalsContact O-N 3.12Å; F495-L499 HydrophobicContact CD1-CD1 3.87Å; F495-L499 HydrophobicContact CD1-CG 4.46Å; F495-L499 HydrophobicContact CE1-CD1 3.34Å; F495-L499 HydrophobicContact CE1-CG 4.09Å; F495-L499 HydrophobicContact CE2-CD1 4.44Å; F495-L499 HydrophobicContact CE2-CD2 4.46Å; F495-L499 HydrophobicContact CE2-CG 4.36Å; F495-L499 HydrophobicContact CZ-CD1 3.68Å; F495-L499 HydrophobicContact CZ-CD2 4.18Å; F495-L499 HydrophobicContact CZ-CG 4.04Å; F495-L499 WeakPolarHBondContact O-CG 3.47Å; F495-L499 PolarHBondContact O-N 3.15Å
496K97.7Very high96Very high74 Ų7457.9 Ų57.932%0.32231%0.311SS..Hα-helixtrans-57.5-39.7174.1-173.5176.1-175.7174.10112.1I451 L492 D493 L499 R500I451-K496 HydrophobicContact CG2-CB 4.24Å; I451-K496 HydrophobicContact CG2-CG 4.35Å; L492-K496 WeakPolarHBondContact O-CB 3.48Å; L492-K496 PolarHBondContact O-N 3Å; D493-K496 PolarHBondContact O-N 2.91Å; K496-L499 PolarHBondContact O-N 3.17Å; K496-R500 WeakPolarHBondContact O-CG 3.33Å; K496-R500 PolarHBondContact O-N 3.37Å; K496-R500 VanDerWaalsContact O-N 3.09Å
497S97Very high96Very high58 Ų5853.4 Ų53.441%0.40628%0.281SS..Hα-helixtrans-65-42.3176-154.40000112.4D493 Q494 F495 L499 R500 S501D493-S497 WeakPolarHBondContact O-CB 3.29Å; D493-S497 PolarHBondContact O-N 3.44Å; Q494-S497 WeakPolarHBondContact O-CB 3.35Å; Q494-S497 PolarHBondContact O-N 3.2Å; F495-S497 VanDerWaalsContact C-N 3.27Å; F495-S497 PolarHBondContact O-N 3.13Å; S497-L499 VanDerWaalsContact C-N 3.34Å; S497-L499 PolarHBondContact O-N 2.79Å; S497-R500 WeakPolarHBondContact O-CB 3.38Å; S497-R500 PolarHBondContact O-N 2.93Å; S497-R500 PolarHBondContact OG-NH2 2.82Å; S497-S501 PolarHBondContact O-N 3.23Å
498K97.6Very high95.9Very high78 Ų7853.6 Ų53.634%0.33928%0.277SS..Hα-helixtrans-63.7-39.3175.2-174.661.5176.21780112A484 Q494 F495 R500 S501 L502A484-K498 HydrophobicContact CB-CB 4.48Å; A484-K498 HydrophobicContact CB-CG 3.87Å; Q494-K498 PolarHBondContact O-N 3.43Å; F495-K498 WeakPolarHBondContact O-CB 3.48Å; F495-K498 PolarHBondContact O-N 2.74Å; F495-K498 VanDerWaalsContact O-N 3.12Å; K498-R500 VanDerWaalsContact C-N 3.29Å; K498-R500 PolarHBondContact O-N 3.46Å; K498-S501 PolarHBondContact O-N 3.3Å; K498-S501 PolarHBondContact O-OG 3.1Å; K498-L502 HydrophobicContact CG-CD1 4.34Å; K498-L502 PolarHBondContact O-N 3.49Å
499L97.4Very high95.9Very high7 Ų758.2 Ų58.24%0.03729%0.293CS..Hα-helixtrans-63.8-34.3174.2-71.1176.8000112.5I451 L455 Q480 A484 F495 K496 S497 S501 L502I451-L499 HydrophobicContact CG2-CD1 3.76Å; L455-L499 HydrophobicContact CD1-CB 4.4Å; L455-L499 HydrophobicContact CD2-CD1 3.93Å; L455-L499 HydrophobicContact CD2-CD2 3.74Å; L455-L499 HydrophobicContact CD2-CG 4.32Å; Q480-L499 HydrophobicContact CB-CD2 4.32Å; A484-L499 HydrophobicContact CB-CD2 3.85Å; A484-L499 HydrophobicContact CB-CG 4.44Å; F495-L499 HydrophobicContact CD1-CD1 3.87Å; F495-L499 HydrophobicContact CD1-CG 4.46Å; F495-L499 HydrophobicContact CE1-CD1 3.34Å; F495-L499 HydrophobicContact CE1-CG 4.09Å; F495-L499 HydrophobicContact CE2-CD1 4.44Å; F495-L499 HydrophobicContact CE2-CD2 4.46Å; F495-L499 HydrophobicContact CE2-CG 4.36Å; F495-L499 HydrophobicContact CZ-CD1 3.68Å; F495-L499 HydrophobicContact CZ-CD2 4.18Å; F495-L499 HydrophobicContact CZ-CG 4.04Å; F495-L499 WeakPolarHBondContact O-CG 3.47Å; F495-L499 PolarHBondContact O-N 3.15Å; K496-L499 PolarHBondContact O-N 3.17Å; S497-L499 VanDerWaalsContact C-N 3.34Å; S497-L499 PolarHBondContact O-N 2.79Å; L499-S501 VanDerWaalsContact C-N 3.27Å; L499-S501 PolarHBondContact O-N 3.07Å; L499-L502 CarbonylContact O-C 3.57Å; L499-L502 PolarHBondContact O-N 3.06Å; L499-L502 VanDerWaalsContact O-N 3.08Å
500R94.7Very high95.6Very high144 Ų14460 Ų6054%0.54330%0.302SS..Hα-helixtrans-62.4-32.8174.4-72.9-175.3-67.5-127-2.2112.9K496 S497 K498 L502K496-R500 WeakPolarHBondContact O-CG 3.33Å; K496-R500 PolarHBondContact O-N 3.37Å; K496-R500 VanDerWaalsContact O-N 3.09Å; S497-R500 WeakPolarHBondContact O-CB 3.38Å; S497-R500 PolarHBondContact O-N 2.93Å; S497-R500 PolarHBondContact OG-NH2 2.82Å; K498-R500 VanDerWaalsContact C-N 3.29Å; K498-R500 PolarHBondContact O-N 3.46Å; R500-L502 VanDerWaalsContact C-N 3.27Å
501S94.9Very high95.1Very high66 Ų6657.8 Ų57.846%0.46229%0.287SS..Hα-helixtrans-77.2-13.7175.870.60000113.1S497 K498 L499 E506S497-S501 PolarHBondContact O-N 3.23Å; K498-S501 PolarHBondContact O-N 3.3Å; K498-S501 PolarHBondContact O-OG 3.1Å; L499-S501 VanDerWaalsContact C-N 3.27Å; L499-S501 PolarHBondContact O-N 3.07Å; S501-E506 WeakPolarHBondContact O-CG 3.43Å
502L96.1Very high94.2Very high11 Ų1161.8 Ų61.86%0.05830%0.302CS..SBendtrans-104.254.6-179.4-65167.9000110.8Q480 R483 A484 K498 L499 R500 I507 L510Q480-L502 PolarHBondContact NE2-O 3Å; R483-L502 HydrophobicContact CB-CD1 4.27Å; A484-L502 HydrophobicContact CB-CD1 3.93Å; K498-L502 HydrophobicContact CG-CD1 4.34Å; K498-L502 PolarHBondContact O-N 3.49Å; L499-L502 CarbonylContact O-C 3.57Å; L499-L502 PolarHBondContact O-N 3.06Å; L499-L502 VanDerWaalsContact O-N 3.08Å; R500-L502 VanDerWaalsContact C-N 3.27Å; L502-I507 HydrophobicContact CB-CD1 4.46Å; L502-I507 HydrophobicContact CD2-CD1 4.38Å; L502-L510 HydrophobicContact CD2-CD1 4.44Å
503S96.2Very high93.3Very high23 Ų2364.7 Ų64.716%0.16132%0.324CS..  trans-63166.617462.30000112S505 E506 I507S503-S505 PolarHBondContact O-N 3.31Å; S503-S505 PolarHBondContact OG-OG 2.99Å; S503-E506 PolarHBondContact O-N 2.68Å; S503-E506 PolarHBondContact OG-N 2.76Å; S503-I507 WeakPolarHBondContact O-CG1 3.31Å; S503-I507 PolarHBondContact O-N 3.32Å
504Y95.8Very high92.3Very high57 Ų5763.2 Ų63.222%0.22431%0.314CS..Hα-helixtrans-54.9-41.7174.3175.5-123.5000112.3E462 M463 V476 E506 I507 L508E462-Y504 HydrophobicContact CB-CD1 4.43Å; E462-Y504 VanDerWaalsContact OE2-CB 3.27Å; E462-Y504 WeakPolarHBondContact OE2-CB 3.37Å; E462-Y504 PolarHBondContact OE2-N 3.43Å; M463-Y504 HydrophobicContact CB-CE1 4.42Å; M463-Y504 HydrophobicContact CE-CE2 4.15Å; M463-Y504 HydrophobicContact CG-CD1 3.71Å; M463-Y504 HydrophobicContact CG-CD2 3.58Å; M463-Y504 HydrophobicContact CG-CE1 3.74Å; M463-Y504 HydrophobicContact CG-CE2 3.6Å; M463-Y504 HydrophobicContact CG-CG 3.63Å; M463-Y504 HydrophobicContact SD-CD2 3.99Å; M463-Y504 HydrophobicContact SD-CE2 3.93Å; V476-Y504 HydrophobicContact CG1-CD2 4.04Å; V476-Y504 HydrophobicContact CG2-CD2 4.44Å; V476-Y504 HydrophobicContact CG2-CE2 4.31Å; Y504-E506 VanDerWaalsContact C-N 3.32Å; Y504-E506 PolarHBondContact O-N 3.37Å; Y504-I507 PolarHBondContact O-N 3.01Å; Y504-L508 HydrophobicContact CD1-CD1 4.14Å; Y504-L508 HydrophobicContact CD2-CG 4.17Å; Y504-L508 HydrophobicContact CE1-CD1 3.52Å; Y504-L508 HydrophobicContact CE1-CG 4.15Å; Y504-L508 HydrophobicContact CE2-CD1 4Å; Y504-L508 HydrophobicContact CE2-CD2 3.85Å; Y504-L508 HydrophobicContact CE2-CG 3.71Å; Y504-L508 VanDerWaalsContact CZ-CD1 3.44Å; Y504-L508 WeakPolarHBondContact O-CG 3.44Å; Y504-L508 PolarHBondContact O-N 2.95Å
505S94.1Very high91Very high80 Ų8066.3 Ų66.356%0.55932%0.321SS*.Hα-helixtrans-62-38.5176.560.60000112.7S503 L508 R509S503-S505 PolarHBondContact O-N 3.31Å; S503-S505 PolarHBondContact OG-OG 2.99Å; S505-L508 PolarHBondContact O-N 3.05Å; S505-R509 WeakPolarHBondContact O-CB 3.47Å; S505-R509 PolarHBondContact O-N 2.82Å
506E96.3Very high89.1Confident44 Ų4471 Ų7121%0.20634%0.344CS..Hα-helixtrans-69.3-42.5176.3179.360.9-171.400111.2S501 S503 Y504 L508 R509 L510S501-E506 WeakPolarHBondContact O-CG 3.43Å; S503-E506 PolarHBondContact O-N 2.68Å; S503-E506 PolarHBondContact OG-N 2.76Å; Y504-E506 VanDerWaalsContact C-N 3.32Å; Y504-E506 PolarHBondContact O-N 3.37Å; E506-L508 VanDerWaalsContact C-N 3.31Å; E506-L508 PolarHBondContact O-N 3.21Å; E506-R509 WeakPolarHBondContact O-CB 3.46Å; E506-R509 PolarHBondContact O-N 3.37Å; E506-R509 VanDerWaalsContact O-N 3.15Å; E506-R509 IonicContact OE1-CZ 2.86Å; E506-R509 IonicContact OE1-NE 3.98Å; E506-R509 IonicContact OE1-NH2 3.28Å; E506-R509 PolarHBondContact OE1-NH2 3.14Å; E506-R509 IonicContact OE2-CZ 3.92Å; E506-R509 IonicContact OE2-NE 2.76Å; E506-R509 PolarHBondContact OE2-NE 2.91Å; E506-R509 IonicContact OE2-NH2 2.73Å; E506-R509 PolarHBondContact OE2-NH2 2.92Å; E506-L510 HydrophobicContact CG-CD1 4.26Å; E506-L510 VanDerWaalsContact O-CG 3.32Å; E506-L510 WeakPolarHBondContact O-CG 3.49Å; E506-L510 PolarHBondContact O-N 2.97Å
507I94.4Very high87.3Confident0 Ų068.5 Ų68.50%034%0.336CS..Hα-helixtrans-60.1-42.7174.4-63.7-62.4000110.9V476 Q480 L502 S503 Y504 L510 R511V476-I507 HydrophobicContact CG1-CG2 4.38Å; Q480-I507 HydrophobicContact CG-CD1 3.96Å; Q480-I507 HydrophobicContact CG-CG1 3.72Å; L502-I507 HydrophobicContact CB-CD1 4.46Å; L502-I507 HydrophobicContact CD2-CD1 4.38Å; S503-I507 WeakPolarHBondContact O-CG1 3.31Å; S503-I507 PolarHBondContact O-N 3.32Å; Y504-I507 PolarHBondContact O-N 3.01Å; I507-L510 PolarHBondContact O-N 3.32Å; I507-R511 HydrophobicContact CG2-CG 4.45Å; I507-R511 WeakPolarHBondContact O-CB 3.34Å; I507-R511 VanDerWaalsContact O-CG 3.31Å; I507-R511 WeakPolarHBondContact O-CG 3.27Å; I507-R511 PolarHBondContact O-N 3.19Å
508L89.9Confident85.4Confident67 Ų6770.3 Ų70.335%0.35134%0.338SS..Hα-helixtrans-62.3-42.5174-74.6-175.9000112.1Y504 S505 E506 L510 R511 Q512Y504-L508 HydrophobicContact CD1-CD1 4.14Å; Y504-L508 HydrophobicContact CD2-CG 4.17Å; Y504-L508 HydrophobicContact CE1-CD1 3.52Å; Y504-L508 HydrophobicContact CE1-CG 4.15Å; Y504-L508 HydrophobicContact CE2-CD1 4Å; Y504-L508 HydrophobicContact CE2-CD2 3.85Å; Y504-L508 HydrophobicContact CE2-CG 3.71Å; Y504-L508 VanDerWaalsContact CZ-CD1 3.44Å; Y504-L508 WeakPolarHBondContact O-CG 3.44Å; Y504-L508 PolarHBondContact O-N 2.95Å; S505-L508 PolarHBondContact O-N 3.05Å; E506-L508 VanDerWaalsContact C-N 3.31Å; E506-L508 PolarHBondContact O-N 3.21Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 3.44Å; L508-R511 PolarHBondContact O-N 3.04Å; L508-Q512 WeakPolarHBondContact O-CB 3.32Å; L508-Q512 PolarHBondContact O-N 3.43Å
509R92.2Very high83.4Confident151 Ų15171.9 Ų71.957%0.5735%0.35SS*.Hα-helixtrans-61-43.2176.6-171-17774.9107.23.1111.5S505 E506 Q512 S513S505-R509 WeakPolarHBondContact O-CB 3.47Å; S505-R509 PolarHBondContact O-N 2.82Å; E506-R509 WeakPolarHBondContact O-CB 3.46Å; E506-R509 PolarHBondContact O-N 3.37Å; E506-R509 VanDerWaalsContact O-N 3.15Å; E506-R509 IonicContact OE1-CZ 2.86Å; E506-R509 IonicContact OE1-NE 3.98Å; E506-R509 IonicContact OE1-NH2 3.28Å; E506-R509 PolarHBondContact OE1-NH2 3.14Å; E506-R509 IonicContact OE2-CZ 3.92Å; E506-R509 IonicContact OE2-NE 2.76Å; E506-R509 PolarHBondContact OE2-NE 2.91Å; E506-R509 IonicContact OE2-NH2 2.73Å; E506-R509 PolarHBondContact OE2-NH2 2.92Å; R509-Q512 PolarHBondContact O-N 3.44Å; R509-S513 VanDerWaalsContact O-CB 3.32Å; R509-S513 WeakPolarHBondContact O-CB 3.26Å; R509-S513 PolarHBondContact O-N 3.44Å
510L88.9Confident81.5Confident42 Ų4276.2 Ų76.222%0.2237%0.373CS..Hα-helixtrans-63.3-49.8176.1-68.2171.7000110.9L502 E506 I507 L508 Q512 S513 E514L502-L510 HydrophobicContact CD2-CD1 4.44Å; E506-L510 HydrophobicContact CG-CD1 4.26Å; E506-L510 VanDerWaalsContact O-CG 3.32Å; E506-L510 WeakPolarHBondContact O-CG 3.49Å; E506-L510 PolarHBondContact O-N 2.97Å; I507-L510 PolarHBondContact O-N 3.32Å; L508-L510 VanDerWaalsContact C-N 3.34Å; L508-L510 PolarHBondContact O-N 3.44Å; L510-Q512 VanDerWaalsContact C-N 3.31Å; L510-Q512 PolarHBondContact O-N 2.88Å; L510-S513 WeakPolarHBondContact O-CB 3.42Å; L510-S513 PolarHBondContact O-N 3.23Å; L510-E514 WeakPolarHBondContact O-CB 3.39Å; L510-E514 WeakPolarHBondContact O-CG 3.21Å; L510-E514 PolarHBondContact O-N 3.44Å
511R85.1Confident79.9Confident48 Ų4869.7 Ų69.718%0.18135%0.349CS..Hα-helixtrans-60.2-39175.6-72172.9178.8-178.6-1.6112.6E479 I507 L508 E514 R515E479-R511 IonicContact OE1-NE 3.21Å; E479-R511 IonicContact OE2-CZ 2.67Å; E479-R511 IonicContact OE2-NE 3.09Å; E479-R511 PolarHBondContact OE2-NE 3.18Å; E479-R511 IonicContact OE2-NH2 2.83Å; E479-R511 PolarHBondContact OE2-NH2 3.39Å; I507-R511 HydrophobicContact CG2-CG 4.45Å; I507-R511 WeakPolarHBondContact O-CB 3.34Å; I507-R511 VanDerWaalsContact O-CG 3.31Å; I507-R511 WeakPolarHBondContact O-CG 3.27Å; I507-R511 PolarHBondContact O-N 3.19Å; L508-R511 PolarHBondContact O-N 3.04Å; R511-E514 PolarHBondContact O-N 2.9Å; R511-R515 WeakPolarHBondContact O-CB 3.46Å; R511-R515 VanDerWaalsContact O-CG 3.26Å; R511-R515 WeakPolarHBondContact O-CG 3.46Å; R511-R515 PolarHBondContact O-N 3.04Å
512Q78.1Confident78.5Confident111 Ų11173.1 Ų73.152%0.51936%0.358SS..Hα-helixtrans-70.4-40.3178-177.5175.53.900110.9L508 R509 L510 E514 R515 M516L508-Q512 WeakPolarHBondContact O-CB 3.32Å; L508-Q512 PolarHBondContact O-N 3.43Å; R509-Q512 PolarHBondContact O-N 3.44Å; L510-Q512 VanDerWaalsContact C-N 3.31Å; L510-Q512 PolarHBondContact O-N 2.88Å; Q512-E514 VanDerWaalsContact C-N 3.27Å; Q512-E514 PolarHBondContact O-N 3.32Å; Q512-R515 PolarHBondContact O-N 3.45Å; Q512-M516 HydrophobicContact CG-CG 3.84Å; Q512-M516 HydrophobicContact CG-SD 3.64Å; Q512-M516 PolarHBondContact NE2-SD 3.4Å; Q512-M516 VanDerWaalsContact NE2-SD 3.41Å; Q512-M516 VanDerWaalsContact O-CB 3.32Å; Q512-M516 WeakPolarHBondContact O-CB 3.37Å; Q512-M516 WeakPolarHBondContact O-CG 3.31Å; Q512-M516 PolarHBondContact O-N 3.11Å
513S78.7Confident77.4Confident78 Ų7874.5 Ų74.555%0.54537%0.368SS..Hα-helixtrans-60.5-39.7171.8-174.50000111.3R509 L510 S517R509-S513 VanDerWaalsContact O-CB 3.32Å; R509-S513 WeakPolarHBondContact O-CB 3.26Å; R509-S513 PolarHBondContact O-N 3.44Å; L510-S513 WeakPolarHBondContact O-CB 3.42Å; L510-S513 PolarHBondContact O-N 3.23Å; S513-S517 VanDerWaalsContact O-CB 3.27Å; S513-S517 WeakPolarHBondContact O-CB 3.27Å; S513-S517 PolarHBondContact O-N 3.35Å
514E77.9Confident76.7Confident91 Ų9176.9 Ų76.943%0.42538%0.383SS..Hα-helixtrans-66.7-38.1175.3-69.6161.3-174.900111.5R483 L510 R511 Q512R483-E514 IonicContact CZ-OE1 2.71Å; R483-E514 IonicContact NH1-OE1 3.69Å; R483-E514 PolarHBondContact NH1-OE1 3.4Å; R483-E514 VanDerWaalsContact NH1-OE1 3.1Å; R483-E514 IonicContact NH2-OE1 3.29Å; R483-E514 PolarHBondContact NH2-OE1 3.22Å; R483-E514 IonicContact NH2-OE2 3.42Å; R483-E514 PolarHBondContact NH2-OE2 3.33Å; L510-E514 WeakPolarHBondContact O-CB 3.39Å; L510-E514 WeakPolarHBondContact O-CG 3.21Å; L510-E514 PolarHBondContact O-N 3.44Å; R511-E514 PolarHBondContact O-N 2.9Å; Q512-E514 VanDerWaalsContact C-N 3.27Å; Q512-E514 PolarHBondContact O-N 3.32Å
515R69.3Low76Confident163 Ų16376 Ų7662%0.61538%0.384SS*.Hα-helixtrans-82.9-40.7179.9-73.5175.9-175.4-172.1-0.8115.7R511 Q512 S517 Q518 D519R511-R515 WeakPolarHBondContact O-CB 3.46Å; R511-R515 VanDerWaalsContact O-CG 3.26Å; R511-R515 WeakPolarHBondContact O-CG 3.46Å; R511-R515 PolarHBondContact O-N 3.04Å; Q512-R515 PolarHBondContact O-N 3.45Å; R515-S517 PolarHBondContact O-N 2.67Å; R515-Q518 CarbonylContact O-C 3.54Å; R515-Q518 VanDerWaalsContact O-CA 3.31Å; R515-Q518 WeakPolarHBondContact O-CA 3.46Å; R515-Q518 WeakPolarHBondContact O-CB 3.31Å; R515-Q518 PolarHBondContact O-N 3.19Å; R515-D519 PolarHBondContact O-N 3.49Å
516M59.7Low75.4Confident98 Ų9872.8 Ų72.848%0.48336%0.361SS..Hα-helixtrans-64.3-32.2176-73.3-178.364.700110.5Q512 Q518 D520Q512-M516 HydrophobicContact CG-CG 3.84Å; Q512-M516 HydrophobicContact CG-SD 3.64Å; Q512-M516 PolarHBondContact NE2-SD 3.4Å; Q512-M516 VanDerWaalsContact NE2-SD 3.41Å; Q512-M516 VanDerWaalsContact O-CB 3.32Å; Q512-M516 WeakPolarHBondContact O-CB 3.37Å; Q512-M516 WeakPolarHBondContact O-CG 3.31Å; Q512-M516 PolarHBondContact O-N 3.11Å; M516-Q518 PolarHBondContact O-N 2.89Å; M516-Q518 VanDerWaalsContact O-N 3.13Å; M516-D520 PolarHBondContact O-N 3.23Å
517S59.3Low74.8Confident22 Ų2273.1 Ų73.115%0.15437%0.366CS..Hα-helixtrans-62.2-9.6166.1-173.40000114.2S513 R515 F521 S684S513-S517 VanDerWaalsContact O-CB 3.27Å; S513-S517 WeakPolarHBondContact O-CB 3.27Å; S513-S517 PolarHBondContact O-N 3.35Å; R515-S517 PolarHBondContact O-N 2.67Å; S517-F521 WeakPolarHBondContact O-CD2 3.35Å; S517-F521 WeakPolarHBondContact O-CE2 3.45Å; S517-S684 WeakPolarHBondContact OG-CB 3.35Å; S517-S684 PolarHBondContact OG-OG 3.31Å
518Q56.7Low74.4Confident95 Ų9578.3 Ų78.344%0.44439%0.39SS..Hα-helixtrans-113.2-35.2179.2-71.5-177.2-17.100113.4R515 M516R515-Q518 CarbonylContact O-C 3.54Å; R515-Q518 VanDerWaalsContact O-CA 3.31Å; R515-Q518 WeakPolarHBondContact O-CA 3.46Å; R515-Q518 WeakPolarHBondContact O-CB 3.31Å; R515-Q518 PolarHBondContact O-N 3.19Å; M516-Q518 PolarHBondContact O-N 2.89Å; M516-Q518 VanDerWaalsContact O-N 3.13Å
519D55.1Low74.3Confident112 Ų11277.6 Ų77.660%0.59939%0.386SS*.Hα-helixtrans-79.9-37-176.2-80.5-13000113.9R515 F521 Q522R515-D519 PolarHBondContact O-N 3.49Å; D519-F521 PolarHBondContact O-N 2.93Å; D519-Q522 PolarHBondContact O-N 3.13Å
520D58.6Low74Confident98 Ų9873.4 Ų73.452%0.52437%0.37SS..THydrogen-bonded Turntrans-61.3-12.1174.3-76-24.6000112.2M516 I526M516-D520 PolarHBondContact O-N 3.23Å; D520-I526 WeakPolarHBondContact O-CD1 3.32Å; D520-I526 WeakPolarHBondContact O-CG2 3.41Å
521F60.1Low74Confident7 Ų777.7 Ų77.73%0.03139%0.389CS..THydrogen-bonded Turntrans-962.8-176.1-67.3-101.6000114.4S517 D519 V527 S684 M687S517-F521 WeakPolarHBondContact O-CD2 3.35Å; S517-F521 WeakPolarHBondContact O-CE2 3.45Å; D519-F521 PolarHBondContact O-N 2.93Å; F521-V527 VanDerWaalsContact O-CG2 3.31Å; F521-V527 WeakPolarHBondContact O-CG2 3.42Å; F521-S684 VanDerWaalsContact CZ-CA 3.42Å; F521-S684 WeakPolarHBondContact CZ-O 3.35Å; F521-M687 HydrophobicContact CD1-CB 3.95Å; F521-M687 HydrophobicContact CD1-CG 3.89Å; F521-M687 HydrophobicContact CE1-CB 3.13Å; F521-M687 HydrophobicContact CE1-CG 3.43Å; F521-M687 VanDerWaalsContact CE1-CG 3.43Å; F521-M687 HydrophobicContact CZ-CB 3.76Å; F521-M687 HydrophobicContact CZ-CG 4.48Å
522Q65.3Low74.3Confident138 Ų13882.8 Ų82.865%0.64541%0.413SS*.  trans-105-4.9-171.2-60.4-144.53.600115.9D519D519-Q522 PolarHBondContact O-N 3.13Å
523S74.4Confident74.9Confident39 Ų3977.9 Ų77.927%0.27339%0.39SS..SBendtrans-69.9145.4173.976.40000111I526 V527S523-I526 PolarHBondContact O-N 3.41Å; S523-I526 WeakPolarHBondContact OG-CB 3.49Å; S523-I526 WeakPolarHBondContact OG-CD1 3.36Å; S523-I526 WeakPolarHBondContact OG-CG1 3.35Å; S523-V527 WeakPolarHBondContact O-CG2 3.44Å; S523-V527 PolarHBondContact O-N 3.49Å
524P80.8Confident75.5Confident73 Ų7377.4 Ų77.447%0.47438%0.379SS..Hα-helixtrans-53-44.7-173-23.730.8000114.9I526 V527 E528P524-I526 VanDerWaalsContact C-N 3.3Å; P524-I526 PolarHBondContact O-N 3.37Å; P524-V527 PolarHBondContact O-N 2.82Å; P524-E528 WeakPolarHBondContact O-CG 3.39Å; P524-E528 PolarHBondContact O-N 2.88Å
525P82.3Confident76.3Confident39 Ų3976.9 Ų76.925%0.25338%0.384SS..Hα-helixtrans-65-32.8177.4-20.733.3000113.5L529 I699 P700P525-L529 WeakPolarHBondContact O-CB 3.49Å; P525-L529 PolarHBondContact O-N 3.46Å; P525-I699 HydrophobicContact CB-CG2 4.35Å; P525-I699 HydrophobicContact CG-CG2 4.25Å; P525-P700 WeakPolarHBondContact CG-O 3.46Å
526I80.4Confident77.5Confident12 Ų1275.2 Ų75.26%0.06238%0.383CS..Hα-helixtrans-76.2-37.3179.5-61.4177000110.2D520 S523 P524 L529 R530 M687 L691 I699D520-I526 WeakPolarHBondContact O-CD1 3.32Å; D520-I526 WeakPolarHBondContact O-CG2 3.41Å; S523-I526 PolarHBondContact O-N 3.41Å; S523-I526 WeakPolarHBondContact OG-CB 3.49Å; S523-I526 WeakPolarHBondContact OG-CD1 3.36Å; S523-I526 WeakPolarHBondContact OG-CG1 3.35Å; P524-I526 VanDerWaalsContact C-N 3.3Å; P524-I526 PolarHBondContact O-N 3.37Å; I526-L529 PolarHBondContact O-N 2.87Å; I526-R530 VanDerWaalsContact O-CB 3.23Å; I526-R530 WeakPolarHBondContact O-CB 3.32Å; I526-R530 PolarHBondContact O-N 3.42Å; I526-M687 HydrophobicContact CB-CE 4.33Å; I526-M687 HydrophobicContact CG2-CE 3.27Å; I526-M687 WeakPolarHBondContact O-CE 3.04Å; I526-L691 HydrophobicContact CD1-CD1 4.12Å; I526-L691 HydrophobicContact CG1-CD1 4.48Å; I526-L691 HydrophobicContact CG1-CD2 4.45Å; I526-L691 HydrophobicContact CG2-CD1 4.31Å; I526-I699 HydrophobicContact CD1-CD1 3.69Å; I526-I699 HydrophobicContact CG1-CD1 4.17Å
527V83.9Confident79.1Confident51 Ų5171.1 Ų71.131%0.30936%0.363SS..Hα-helixtrans-63.7-46172.1175.60000110.7F521 S523 P524 L529 R530 E531F521-V527 VanDerWaalsContact O-CG2 3.31Å; F521-V527 WeakPolarHBondContact O-CG2 3.42Å; S523-V527 WeakPolarHBondContact O-CG2 3.44Å; S523-V527 PolarHBondContact O-N 3.49Å; P524-V527 PolarHBondContact O-N 2.82Å; V527-L529 VanDerWaalsContact C-N 3.31Å; V527-L529 PolarHBondContact O-N 3.15Å; V527-R530 WeakPolarHBondContact O-CB 3Å; V527-R530 PolarHBondContact O-N 3.43Å; V527-R530 VanDerWaalsContact O-N 3.16Å; V527-E531 WeakPolarHBondContact O-CG 3.12Å; V527-E531 PolarHBondContact O-N 3.29Å
528E85.8Confident80.8Confident110 Ų11072.6 Ų72.651%0.51437%0.369SS..Hα-helixtrans-59.6-41.3175.5-75.8-178.1-157.900112.2P524 K532P524-E528 WeakPolarHBondContact O-CG 3.39Å; P524-E528 PolarHBondContact O-N 2.88Å; E528-K532 WeakPolarHBondContact O-CG 3.34Å; E528-K532 PolarHBondContact O-N 3.38Å
529L86.9Confident82.6Confident52 Ų5271.9 Ų71.927%0.27237%0.365SS..Hα-helixtrans-66.3-42.4175.4-178.161.7000111.2P525 I526 V527 E531 K532 I533 M687 R690P525-L529 WeakPolarHBondContact O-CB 3.49Å; P525-L529 PolarHBondContact O-N 3.46Å; I526-L529 PolarHBondContact O-N 2.87Å; V527-L529 VanDerWaalsContact C-N 3.31Å; V527-L529 PolarHBondContact O-N 3.15Å; L529-E531 PolarHBondContact O-N 3.42Å; L529-K532 PolarHBondContact O-N 3.49Å; L529-I533 HydrophobicContact CD1-CD1 3.74Å; L529-I533 HydrophobicContact CD1-CG1 4.19Å; L529-I533 HydrophobicContact CD2-CD1 4.4Å; L529-I533 HydrophobicContact CG-CD1 3.74Å; L529-I533 HydrophobicContact CG-CG1 4.48Å; L529-I533 WeakPolarHBondContact O-CG1 3.42Å; L529-I533 PolarHBondContact O-N 3.1Å; L529-M687 HydrophobicContact CB-CE 4.13Å; L529-M687 HydrophobicContact CB-SD 4.42Å; L529-M687 HydrophobicContact CD2-CE 3.85Å; L529-M687 HydrophobicContact CD2-SD 4.04Å; L529-M687 HydrophobicContact CG-CE 4.03Å; L529-M687 HydrophobicContact CG-SD 3.89Å; L529-R690 HydrophobicContact CD2-CB 4.27Å
530R86.3Confident84.6Confident63 Ų6370.8 Ų70.824%0.23836%0.359CS..Hα-helixtrans-58-46.4176.4-175.9-176.4-179.6164.29.6111.3I526 V527 K532 I533 Q534 D680 L683 M687I526-R530 VanDerWaalsContact O-CB 3.23Å; I526-R530 WeakPolarHBondContact O-CB 3.32Å; I526-R530 PolarHBondContact O-N 3.42Å; V527-R530 WeakPolarHBondContact O-CB 3Å; V527-R530 PolarHBondContact O-N 3.43Å; V527-R530 VanDerWaalsContact O-N 3.16Å; R530-K532 VanDerWaalsContact C-N 3.32Å; R530-K532 PolarHBondContact O-N 2.82Å; R530-I533 PolarHBondContact O-N 2.91Å; R530-Q534 VanDerWaalsContact O-CB 3.23Å; R530-Q534 WeakPolarHBondContact O-CB 3.41Å; R530-Q534 PolarHBondContact O-N 2.94Å; R530-D680 IonicContact NH2-OD1 3.38Å; R530-D680 PolarHBondContact NH2-OD1 3.09Å; R530-L683 HydrophobicContact CG-CD1 4.09Å; R530-L683 HydrophobicContact CG-CD2 3.48Å; R530-L683 VanDerWaalsContact CG-CD2 3.48Å; R530-L683 HydrophobicContact CG-CG 3.85Å; R530-L683 VanDerWaalsContact NE-CD2 3.31Å; R530-M687 HydrophobicContact CB-CE 4.43Å; R530-M687 HydrophobicContact CB-SD 4.32Å
531E89.9Confident86.3Confident131 Ų13166.2 Ų66.261%0.61234%0.335SS*.Hα-helixtrans-64-34.9177.5-72.9-177.5171.700112.6V527 L529 P535V527-E531 WeakPolarHBondContact O-CG 3.12Å; V527-E531 PolarHBondContact O-N 3.29Å; L529-E531 PolarHBondContact O-N 3.42Å; E531-P535 VanDerWaalsContact O-CD 3.24Å; E531-P535 WeakPolarHBondContact O-CD 3.45Å
532K90.3Very high88.1Confident156 Ų15668.7 Ų68.768%0.67835%0.345SS*.Hα-helixtrans-71.9-34.9176.3-73.8172-176.71660113.2E528 L529 R530E528-K532 WeakPolarHBondContact O-CG 3.34Å; E528-K532 PolarHBondContact O-N 3.38Å; L529-K532 PolarHBondContact O-N 3.49Å; R530-K532 VanDerWaalsContact C-N 3.32Å; R530-K532 PolarHBondContact O-N 2.82Å
533I90.4Very high89.5Confident7 Ų766.8 Ų66.84%0.03634%0.336CS..Hα-helixtrans-84.2-31.9-178.4-67.8174000111.7L529 R530 P535 E536 I537 L683 E686 M687 R690L529-I533 HydrophobicContact CD1-CD1 3.74Å; L529-I533 HydrophobicContact CD1-CG1 4.19Å; L529-I533 HydrophobicContact CD2-CD1 4.4Å; L529-I533 HydrophobicContact CG-CD1 3.74Å; L529-I533 HydrophobicContact CG-CG1 4.48Å; L529-I533 WeakPolarHBondContact O-CG1 3.42Å; L529-I533 PolarHBondContact O-N 3.1Å; R530-I533 PolarHBondContact O-N 2.91Å; I533-P535 VanDerWaalsContact C-CD 3.47Å; I533-P535 VanDerWaalsContact C-N 3.35Å; I533-E536 WeakPolarHBondContact O-CB 3.14Å; I533-E536 PolarHBondContact O-N 3.19Å; I533-I537 HydrophobicContact CG2-CD1 4.26Å; I533-I537 HydrophobicContact CG2-CG1 3.78Å; I533-I537 PolarHBondContact O-N 2.98Å; I533-L683 HydrophobicContact CB-CD1 4.14Å; I533-L683 HydrophobicContact CG2-CD1 3.78Å; I533-E686 HydrophobicContact CD1-CG 4.38Å; I533-E686 HydrophobicContact CG2-CG 3.8Å; I533-M687 HydrophobicContact CD1-SD 3.81Å; I533-R690 HydrophobicContact CD1-CG 4.11Å
534Q92.9Very high90.5Very high69 Ų6968 Ų6832%0.32234%0.338SS..Hα-helixtrans-49.5-42.9-176169172-17.600114.7R530 E536 I537 L538 L679 L683R530-Q534 VanDerWaalsContact O-CB 3.23Å; R530-Q534 WeakPolarHBondContact O-CB 3.41Å; R530-Q534 PolarHBondContact O-N 2.94Å; Q534-E536 VanDerWaalsContact C-N 3.32Å; Q534-E536 PolarHBondContact O-N 3.34Å; Q534-I537 PolarHBondContact O-N 3.07Å; Q534-L538 HydrophobicContact CG-CD1 3.95Å; Q534-L538 HydrophobicContact CG-CG 4.41Å; Q534-L538 WeakPolarHBondContact O-CB 3.42Å; Q534-L538 WeakPolarHBondContact O-CG 3.48Å; Q534-L538 PolarHBondContact O-N 2.82Å; Q534-L679 HydrophobicContact CG-CD1 4.22Å; Q534-L679 HydrophobicContact CG-CD2 4.34Å; Q534-L683 HydrophobicContact CB-CD2 4.34Å
535P94.1Very high91.2Very high80 Ų8064.6 Ų64.652%0.51932%0.316SS..Hα-helixtrans-60.9-36.8176.5-2534.9000113.9E531 I533 L538 E539E531-P535 VanDerWaalsContact O-CD 3.24Å; E531-P535 WeakPolarHBondContact O-CD 3.45Å; I533-P535 VanDerWaalsContact C-CD 3.47Å; I533-P535 VanDerWaalsContact C-N 3.35Å; P535-L538 PolarHBondContact O-N 3.48Å; P535-E539 PolarHBondContact O-N 3.43Å
536E93.9Very high91.9Very high127 Ų12763.5 Ų63.559%0.59331%0.307SS*.Hα-helixtrans-67.4-43.4177.8-174.7-179.6179.100111I533 Q534 E539 L540I533-E536 WeakPolarHBondContact O-CB 3.14Å; I533-E536 PolarHBondContact O-N 3.19Å; Q534-E536 VanDerWaalsContact C-N 3.32Å; Q534-E536 PolarHBondContact O-N 3.34Å; E536-E539 PolarHBondContact O-N 3.49Å; E536-L540 PolarHBondContact O-N 2.88Å
537I94.2Very high92.5Very high13 Ų1367.1 Ų67.17%0.06733%0.327CS..Hα-helixtrans-65.6-40.3176.1-57.9-58000111.4I533 Q534 E539 L540 I541 L679 L682 L683 E686I533-I537 HydrophobicContact CG2-CD1 4.26Å; I533-I537 HydrophobicContact CG2-CG1 3.78Å; I533-I537 PolarHBondContact O-N 2.98Å; Q534-I537 PolarHBondContact O-N 3.07Å; I537-E539 VanDerWaalsContact C-N 3.31Å; I537-E539 PolarHBondContact O-N 3Å; I537-L540 WeakPolarHBondContact O-CB 3.39Å; I537-L540 PolarHBondContact O-N 3.47Å; I537-I541 HydrophobicContact CG2-CD1 4.16Å; I537-I541 WeakPolarHBondContact O-CG1 3.45Å; I537-I541 PolarHBondContact O-N 3.34Å; I537-L679 HydrophobicContact CB-CD1 4.05Å; I537-L679 HydrophobicContact CG2-CD1 3.69Å; I537-L682 HydrophobicContact CG2-CB 3.54Å; I537-L682 HydrophobicContact CG2-CD1 4.15Å; I537-L683 HydrophobicContact CG1-CD1 4.18Å; I537-E686 HydrophobicContact CD1-CB 4.16Å; I537-E686 HydrophobicContact CD1-CG 4.33Å
538L94.3Very high93Very high53 Ų5367.6 Ų67.628%0.27732%0.323SS..Hα-helixtrans-63-37.8174.3-79.3172.2000111.9Q534 P535 L540 I541 K542 M670 T675 L679Q534-L538 HydrophobicContact CG-CD1 3.95Å; Q534-L538 HydrophobicContact CG-CG 4.41Å; Q534-L538 WeakPolarHBondContact O-CB 3.42Å; Q534-L538 WeakPolarHBondContact O-CG 3.48Å; Q534-L538 PolarHBondContact O-N 2.82Å; P535-L538 PolarHBondContact O-N 3.48Å; L538-L540 VanDerWaalsContact C-N 3.35Å; L538-I541 PolarHBondContact O-N 3.39Å; L538-K542 VanDerWaalsContact O-CB 3.28Å; L538-K542 WeakPolarHBondContact O-CB 3.27Å; L538-K542 PolarHBondContact O-N 3.03Å; L538-M670 HydrophobicContact CD2-CE 4.44Å; L538-T675 HydrophobicContact CD2-CG2 4.29Å; L538-L679 HydrophobicContact CD2-CD1 4.22Å; L538-L679 HydrophobicContact CD2-CD2 4.06Å; L538-L679 HydrophobicContact CG-CD1 4.06Å; L538-L679 HydrophobicContact CG-CD2 4.35Å
539E95.2Very high93.4Very high79 Ų7962.3 Ų62.337%0.36930%0.299SS..Hα-helixtrans-66.6-37.2174.5-169.359.9-153.500111.5P535 E536 I537 K542 Q543P535-E539 PolarHBondContact O-N 3.43Å; E536-E539 PolarHBondContact O-N 3.49Å; I537-E539 VanDerWaalsContact C-N 3.31Å; I537-E539 PolarHBondContact O-N 3Å; E539-K542 VanDerWaalsContact CD-NZ 3.31Å; E539-K542 WeakPolarHBondContact O-CB 3.37Å; E539-K542 PolarHBondContact O-N 3.01Å; E539-K542 IonicContact OE1-NZ 2.6Å; E539-K542 PolarHBondContact OE1-NZ 2.84Å; E539-K542 IonicContact OE2-NZ 2.67Å; E539-K542 PolarHBondContact OE2-NZ 3.39Å; E539-Q543 WeakPolarHBondContact O-CG 3.31Å; E539-Q543 PolarHBondContact O-N 3.31Å
540L95.9Very high93.7Very high89 Ų8960.1 Ų60.147%0.46629%0.287SS..Hα-helixtrans-63.3-46.1173.3-178.467.1000111.9E536 I537 L538 K542 Q543 Q544 L682E536-L540 PolarHBondContact O-N 2.88Å; I537-L540 WeakPolarHBondContact O-CB 3.39Å; I537-L540 PolarHBondContact O-N 3.47Å; L538-L540 VanDerWaalsContact C-N 3.35Å; L540-K542 VanDerWaalsContact C-N 3.3Å; L540-K542 PolarHBondContact O-N 3.42Å; L540-Q543 PolarHBondContact O-N 3.19Å; L540-Q544 PolarHBondContact O-N 2.97Å; L540-L682 HydrophobicContact CD2-CD1 4.31Å
541I95.6Very high93.9Very high3 Ų361.5 Ų61.52%0.01530%0.296CS..Hα-helixtrans-60.2-44.9175.2-66.5166.7000109.5I537 L538 Q543 Q544 R545 M670 T675 D678 L679 L682I537-I541 HydrophobicContact CG2-CD1 4.16Å; I537-I541 WeakPolarHBondContact O-CG1 3.45Å; I537-I541 PolarHBondContact O-N 3.34Å; L538-I541 PolarHBondContact O-N 3.39Å; I541-Q543 PolarHBondContact O-N 3.32Å; I541-Q544 WeakPolarHBondContact O-CA 3.42Å; I541-Q544 WeakPolarHBondContact O-CB 3.46Å; I541-Q544 PolarHBondContact O-N 3.14Å; I541-Q544 VanDerWaalsContact O-N 3.1Å; I541-R545 HydrophobicContact CG2-CG 4.32Å; I541-R545 WeakPolarHBondContact O-CG 3.42Å; I541-R545 PolarHBondContact O-N 2.86Å; I541-M670 HydrophobicContact CB-CE 4.18Å; I541-M670 HydrophobicContact CG2-CE 3.85Å; I541-M670 HydrophobicContact CG2-SD 4.36Å; I541-T675 HydrophobicContact CG2-CG2 4.37Å; I541-D678 HydrophobicContact CD1-CB 3.88Å; I541-D678 HydrophobicContact CG1-CB 4.2Å; I541-L679 HydrophobicContact CD1-CB 3.88Å; I541-L679 HydrophobicContact CD1-CD1 4.45Å; I541-L682 HydrophobicContact CD1-CD1 4.22Å; I541-L682 HydrophobicContact CG1-CD1 3.75Å
542K96.6Very high93.9Very high59 Ų5955.6 Ų55.626%0.25727%0.271SS..Hα-helixtrans-58.3-45.3176.9165.2165.4161.1-122.40111.9L538 E539 L540 Q544 R545 L546 A664 M670L538-K542 VanDerWaalsContact O-CB 3.28Å; L538-K542 WeakPolarHBondContact O-CB 3.27Å; L538-K542 PolarHBondContact O-N 3.03Å; E539-K542 VanDerWaalsContact CD-NZ 3.31Å; E539-K542 WeakPolarHBondContact O-CB 3.37Å; E539-K542 PolarHBondContact O-N 3.01Å; E539-K542 IonicContact OE1-NZ 2.6Å; E539-K542 PolarHBondContact OE1-NZ 2.84Å; E539-K542 IonicContact OE2-NZ 2.67Å; E539-K542 PolarHBondContact OE2-NZ 3.39Å; L540-K542 VanDerWaalsContact C-N 3.3Å; L540-K542 PolarHBondContact O-N 3.42Å; K542-Q544 VanDerWaalsContact C-N 3.31Å; K542-Q544 PolarHBondContact O-N 3.24Å; K542-R545 PolarHBondContact O-N 3.35Å; K542-L546 HydrophobicContact CG-CD1 4.14Å; K542-L546 WeakPolarHBondContact O-CG 3.4Å; K542-L546 PolarHBondContact O-N 3.43Å; K542-A664 HydrophobicContact CD-CB 3.97Å; K542-A664 HydrophobicContact CG-CB 3.87Å; K542-M670 HydrophobicContact CB-CE 3.8Å; K542-M670 HydrophobicContact CB-SD 4.2Å
543Q95.4Very high93.8Very high98 Ų9848.6 Ų48.646%0.45824%0.242SC..Hα-helixtrans-59.7-42.7174.4-73.5174.48.400111.5E539 L540 I541 L546 N547E539-Q543 WeakPolarHBondContact O-CG 3.31Å; E539-Q543 PolarHBondContact O-N 3.31Å; L540-Q543 PolarHBondContact O-N 3.19Å; I541-Q543 PolarHBondContact O-N 3.32Å; Q543-L546 PolarHBondContact O-N 2.85Å; Q543-N547 WeakPolarHBondContact O-CB 3.48Å; Q543-N547 PolarHBondContact O-N 3.2Å; Q543-N547 PolarHBondContact O-ND2 3.42Å
544Q95.3Very high93.6Very high65 Ų6549.8 Ų49.830%0.30425%0.251SS..Hα-helixtrans-62.3-43.4175.6-172.1-83.2-7.500112L540 I541 K542 N547 R548L540-Q544 PolarHBondContact O-N 2.97Å; I541-Q544 WeakPolarHBondContact O-CA 3.42Å; I541-Q544 WeakPolarHBondContact O-CB 3.46Å; I541-Q544 PolarHBondContact O-N 3.14Å; I541-Q544 VanDerWaalsContact O-N 3.1Å; K542-Q544 VanDerWaalsContact C-N 3.31Å; K542-Q544 PolarHBondContact O-N 3.24Å; Q544-N547 PolarHBondContact O-N 2.83Å; Q544-R548 WeakPolarHBondContact O-CG 3.48Å; Q544-R548 PolarHBondContact O-N 2.76Å
545R95.7Very high93.2Very high1 Ų146.5 Ų46.50%0.00424%0.235CC..Hα-helixtrans-62.9-44.1177.1-63-57.6-175.1-100.8-5.9111.6I541 K542 N547 R548 L549 D660 M670 T675 D678I541-R545 HydrophobicContact CG2-CG 4.32Å; I541-R545 WeakPolarHBondContact O-CG 3.42Å; I541-R545 PolarHBondContact O-N 2.86Å; K542-R545 PolarHBondContact O-N 3.35Å; R545-N547 VanDerWaalsContact C-N 3.33Å; R545-N547 PolarHBondContact O-N 3.19Å; R545-R548 PolarHBondContact O-N 3.05Å; R545-L549 WeakPolarHBondContact O-CG 3.45Å; R545-L549 PolarHBondContact O-N 3.48Å; R545-D660 HydrophobicContact CG-CB 4.22Å; R545-D660 IonicContact NE-OD2 2.68Å; R545-M670 HydrophobicContact CB-SD 4.49Å; R545-M670 HydrophobicContact CG-SD 3.86Å; R545-T675 PolarHBondContact NH2-OG1 3.47Å; R545-T675 VanDerWaalsContact NH2-OG1 3.16Å; R545-D678 IonicContact CZ-OD2 3.37Å; R545-D678 VanDerWaalsContact CZ-OD2 3.24Å; R545-D678 IonicContact NH1-OD2 2.98Å; R545-D678 PolarHBondContact NH1-OD2 3.23Å; R545-D678 IonicContact NH2-OD2 2.86Å; R545-D678 PolarHBondContact NH2-OD2 3.41Å
546L95.9Very high92.2Very high16 Ų1646 Ų468%0.08422%0.223CC..Hα-helixtrans-62-41.5175.6-69.6173.6000111.5K542 Q543 R548 L549 C550 L572 L665K542-L546 HydrophobicContact CG-CD1 4.14Å; K542-L546 WeakPolarHBondContact O-CG 3.4Å; K542-L546 PolarHBondContact O-N 3.43Å; Q543-L546 PolarHBondContact O-N 2.85Å; L546-R548 PolarHBondContact O-N 2.82Å; L546-L549 PolarHBondContact O-N 3.31Å; L546-C550 WeakPolarHBondContact O-CB 3.24Å; L546-C550 PolarHBondContact O-N 3.05Å; L546-C550 PolarHBondContact O-SG 2.94Å; L546-C550 VanDerWaalsContact O-SG 3.33Å; L546-L572 HydrophobicContact CD2-CD2 4.23Å; L546-L665 HydrophobicContact CD2-CB 4.22Å; L546-L665 HydrophobicContact CD2-CD1 4.01Å
547N94.3Very high91.1Very high88 Ų8844 Ų4447%0.47121%0.213SC..Hα-helixtrans-62.2-41.5174.6-69.5-18.7000111.8Q543 Q544 R545 C550 E551Q543-N547 WeakPolarHBondContact O-CB 3.48Å; Q543-N547 PolarHBondContact O-N 3.2Å; Q543-N547 PolarHBondContact O-ND2 3.42Å; Q544-N547 PolarHBondContact O-N 2.83Å; R545-N547 VanDerWaalsContact C-N 3.33Å; R545-N547 PolarHBondContact O-N 3.19Å; N547-C550 CarbonylContact O-C 3.55Å; N547-C550 WeakPolarHBondContact O-CA 3.29Å; N547-C550 WeakPolarHBondContact O-CB 3.36Å; N547-C550 PolarHBondContact O-N 3.33Å; N547-C550 VanDerWaalsContact O-N 3.09Å; N547-E551 WeakPolarHBondContact O-CG 3.47Å; N547-E551 PolarHBondContact O-N 2.92Å
548R93.6Very high89.6Confident60 Ų6047.8 Ų47.823%0.22623%0.232CC..Hα-helixtrans-64.5-38.5174.9-72.1-63.6-60.6174.4-2.3112.8Q544 R545 L546 C550 E551 G552 E654 I657Q544-R548 WeakPolarHBondContact O-CG 3.48Å; Q544-R548 PolarHBondContact O-N 2.76Å; R545-R548 PolarHBondContact O-N 3.05Å; L546-R548 PolarHBondContact O-N 2.82Å; R548-C550 VanDerWaalsContact C-N 3.3Å; R548-E551 WeakPolarHBondContact CD-OE2 3.25Å; R548-E551 IonicContact CZ-OE2 3.13Å; R548-E551 IonicContact NE-OE2 2.77Å; R548-E551 IonicContact NH1-OE2 2.7Å; R548-E551 PolarHBondContact NH1-OE2 3.47Å; R548-E551 PolarHBondContact O-N 2.92Å; R548-G552 PolarHBondContact O-N 3.19Å; R548-E654 IonicContact NH2-OE1 2.69Å; R548-E654 PolarHBondContact NH2-OE1 3.31Å; R548-E654 VanDerWaalsContact NH2-OE1 3.09Å; R548-I657 HydrophobicContact CB-CG2 3.66Å; R548-I657 HydrophobicContact CG-CD1 4.49Å; R548-I657 HydrophobicContact CG-CG2 4.32Å
549L95Very high87.7Confident0 Ų048.3 Ų48.30%025%0.25CS..Hα-helixtrans-63.2-39.8170.3-67.8-170.1000111.2R545 L546 G552 R571 L572 W658 G661 L662R545-L549 WeakPolarHBondContact O-CG 3.45Å; R545-L549 PolarHBondContact O-N 3.48Å; L546-L549 PolarHBondContact O-N 3.31Å; L549-G552 PolarHBondContact O-N 2.88Å; L549-R571 CarbonylContact O-C 3.57Å; L549-R571 VanDerWaalsContact O-CA 3.31Å; L549-R571 WeakPolarHBondContact O-CA 3.31Å; L549-L572 HydrophobicContact CB-CB 3.82Å; L549-L572 HydrophobicContact CB-CD2 4.01Å; L549-L572 HydrophobicContact CD1-CD2 4.28Å; L549-L572 PolarHBondContact O-N 3.48Å; L549-W658 HydrophobicContact CD2-CD2 3.47Å; L549-W658 VanDerWaalsContact CD2-CD2 3.47Å; L549-W658 HydrophobicContact CD2-CE3 3.48Å; L549-W658 VanDerWaalsContact CD2-CE3 3.48Å; L549-W658 HydrophobicContact CD2-CG 4.03Å; L549-W658 HydrophobicContact CD2-CH2 4.06Å; L549-W658 HydrophobicContact CD2-CZ2 4.05Å; L549-W658 HydrophobicContact CD2-CZ3 3.79Å; L549-G661 VanDerWaalsContact CD1-C 3.43Å; L549-L662 HydrophobicContact CD1-CD2 4.5Å
550C93.2Very high85.2Confident6 Ų650.9 Ų50.94%0.04127%0.266CS..Hα-helixtrans-65.8-36.4177.2-75.50000113.2L546 N547 R548 R571 L572 L574 H576L546-C550 WeakPolarHBondContact O-CB 3.24Å; L546-C550 PolarHBondContact O-N 3.05Å; L546-C550 PolarHBondContact O-SG 2.94Å; L546-C550 VanDerWaalsContact O-SG 3.33Å; N547-C550 CarbonylContact O-C 3.55Å; N547-C550 WeakPolarHBondContact O-CA 3.29Å; N547-C550 WeakPolarHBondContact O-CB 3.36Å; N547-C550 PolarHBondContact O-N 3.33Å; N547-C550 VanDerWaalsContact O-N 3.09Å; R548-C550 VanDerWaalsContact C-N 3.3Å; C550-R571 PolarHBondContact O-NE 3.48Å; C550-R571 PolarHBondContact O-NH2 3.29Å; C550-L572 WeakPolarHBondContact CA-O 3.45Å; C550-L574 HydrophobicContact CB-CD2 4.09Å; C550-H576 VanDerWaalsContact SG-CD2 3.51Å
551E89.9Confident82.9Confident91 Ų9153.9 Ų53.943%0.42527%0.272SS..Hα-helixtrans-62.2-53.5169.3-71.8168.5-160.400109.5N547 R548 Y569 R571N547-E551 WeakPolarHBondContact O-CG 3.47Å; N547-E551 PolarHBondContact O-N 2.92Å; R548-E551 WeakPolarHBondContact CD-OE2 3.25Å; R548-E551 IonicContact CZ-OE2 3.13Å; R548-E551 IonicContact NE-OE2 2.77Å; R548-E551 IonicContact NH1-OE2 2.7Å; R548-E551 PolarHBondContact NH1-OE2 3.47Å; R548-E551 PolarHBondContact O-N 2.92Å; E551-Y569 PolarHBondContact O-OH 3.42Å; E551-R571 PolarHBondContact O-NE 3.3Å
552G89.5Confident80.8Confident8 Ų856.1 Ų56.18%0.08228%0.28CS..  trans95.7167.417800000114.2R548 L549 Y569 C570R548-G552 PolarHBondContact O-N 3.19Å; L549-G552 PolarHBondContact O-N 2.88Å; G552-Y569 VanDerWaalsContact C-CZ 3.42Å; G552-Y569 WeakPolarHBondContact CA-OH 3.38Å; G552-Y569 PolarHBondContact O-OH 2.63Å; G552-C570 CarbonylContact C-O 3.52Å; G552-C570 WeakPolarHBondContact CA-O 3.48Å
553S89.1Confident78.4Confident9 Ų959.2 Ų59.26%0.06329%0.29CS..EExtended strand (participates in β ladder)trans-139.9151.8-177.1-56.80000111.8F555 Y569 C570 E654 W658S553-F555 WeakPolarHBondContact O-CD2 3.28Å; S553-F555 WeakPolarHBondContact O-CE2 3.32Å; S553-Y569 VanDerWaalsContact C-CD2 3.49Å; S553-Y569 WeakPolarHBondContact O-CA 3.38Å; S553-Y569 WeakPolarHBondContact O-CD2 3.39Å; S553-C570 PolarHBondContact N-O 2.89Å; S553-C570 PolarHBondContact O-N 3.07Å; S553-E654 WeakPolarHBondContact CB-OE2 3.42Å; S553-E654 PolarHBondContact OG-OE2 2.87Å; S553-W658 VanDerWaalsContact CB-NE1 3.29Å; S553-W658 PolarHBondContact OG-NE1 3.44Å
554S85.6Confident75.8Confident31 Ų3161.8 Ų61.822%0.21730%0.302CS..EExtended strand (participates in β ladder)trans-87.1135.3170.8-57.60000110.7W568 Y569S554-W568 CarbonylContact C-O 3.52Å; S554-W568 WeakPolarHBondContact CA-O 3.2Å; S554-Y569 WeakPolarHBondContact OG-CD2 3.32Å
555F84.6Confident73.6Confident0 Ų061.3 Ų61.30%030%0.299CS..EExtended strand (participates in β ladder)trans-123.6146.5179.2-64.6-82.1000110S553 F567 W568 C570 F635 F647 W658S553-F555 WeakPolarHBondContact O-CD2 3.28Å; S553-F555 WeakPolarHBondContact O-CE2 3.32Å; F555-F567 CarbonylContact O-C 3.43Å; F555-F567 VanDerWaalsContact O-CA 3.24Å; F555-F567 WeakPolarHBondContact O-CA 3.34Å; F555-W568 HydrophobicContact CB-CD2 4.11Å; F555-W568 VanDerWaalsContact CB-CE2 3.5Å; F555-W568 HydrophobicContact CB-CG 4.33Å; F555-W568 HydrophobicContact CB-CZ2 3.9Å; F555-W568 VanDerWaalsContact CB-NE1 3.3Å; F555-W568 HydrophobicContact CD2-CH2 4.41Å; F555-W568 HydrophobicContact CD2-CZ2 4.24Å; F555-W568 HydrophobicContact CG-CZ2 4.13Å; F555-W568 PolarHBondContact N-O 3.35Å; F555-W568 PolarHBondContact O-N 2.7Å; F555-C570 HydrophobicContact CD2-CB 4.24Å; F555-C570 HydrophobicContact CE2-CB 3.95Å; F555-F635 HydrophobicContact CE1-CE1 4.21Å; F555-F635 AromaticContact CE1-CZ 4Å; F555-F635 HydrophobicContact CE1-CZ 4Å; F555-F635 HydrophobicContact CZ-CZ 4.27Å; F555-F647 HydrophobicContact CD1-CB 4.44Å; F555-F647 AromaticContact CD1-CD1 3.79Å; F555-F647 HydrophobicContact CD1-CD1 3.79Å; F555-F647 AromaticContact CD2-CD1 3.93Å; F555-F647 HydrophobicContact CD2-CD1 3.93Å; F555-F647 HydrophobicContact CD2-CE1 4.11Å; F555-F647 AromaticContact CE1-CD1 3.64Å; F555-F647 HydrophobicContact CE1-CD1 3.64Å; F555-F647 HydrophobicContact CE1-CE1 4.4Å; F555-F647 AromaticContact CE2-CD1 3.79Å; F555-F647 HydrophobicContact CE2-CD1 3.79Å; F555-F647 AromaticContact CE2-CE1 3.78Å; F555-F647 HydrophobicContact CE2-CE1 3.78Å; F555-F647 AromaticContact CG-CD1 3.92Å; F555-F647 HydrophobicContact CG-CD1 3.92Å; F555-F647 AromaticContact CZ-CD1 3.62Å; F555-F647 HydrophobicContact CZ-CD1 3.62Å; F555-F647 AromaticContact CZ-CE1 3.91Å; F555-F647 HydrophobicContact CZ-CE1 3.91Å; F555-W658 HydrophobicContact CE2-CD2 4.28Å; F555-W658 AromaticContact CE2-CE2 3.76Å; F555-W658 HydrophobicContact CE2-CH2 4.12Å; F555-W658 AromaticContact CE2-CZ2 3.67Å; F555-W658 HydrophobicContact CE2-CZ2 3.67Å; F555-W658 AromaticContact CZ-CD1 3.79Å; F555-W658 AromaticContact CZ-CD2 3.61Å; F555-W658 HydrophobicContact CZ-CD2 3.61Å; F555-W658 AromaticContact CZ-CE2 3.38Å; F555-W658 HydrophobicContact CZ-CE3 4.22Å; F555-W658 AromaticContact CZ-CG 3.9Å; F555-W658 HydrophobicContact CZ-CG 3.9Å; F555-W658 HydrophobicContact CZ-CH2 4.4Å; F555-W658 AromaticContact CZ-CZ2 3.82Å; F555-W658 HydrophobicContact CZ-CZ2 3.82Å; F555-W658 AromaticContact CZ-NE1 3.49Å
556R73.6Confident71.8Confident71 Ų7164.6 Ų64.627%0.26831%0.312SS..EExtended strand (participates in β ladder)trans-78.5135.5176.6-169-179.9178.8145.416.8109.6E429 E565E429-R556 PolarHBondContact O-NH1 2.75Å; R556-E565 IonicContact CZ-OE1 2.7Å; R556-E565 IonicContact NE-OE1 2.83Å; R556-E565 IonicContact NH1-OE1 2.84Å; R556-E565 PolarHBondContact NH1-OE1 2.86Å; R556-E565 VanDerWaalsContact NH1-OE1 3.11Å; R556-E565 IonicContact NH2-OE1 3.04Å; R556-E565 PolarHBondContact NH2-OE1 3.38Å
557K70.9Confident70.7Confident85 Ų8566.1 Ų66.137%0.3732%0.318SS..  trans-67.3141168.9-85-166.3173.8-171.90111.7G559 R566 W568 D583K557-G559 PolarHBondContact O-N 2.98Å; K557-R566 WeakPolarHBondContact CB-O 3.34Å; K557-R566 HydrophobicContact CD-CB 3.98Å; K557-R566 HydrophobicContact CG-CB 4.41Å; K557-R566 VanDerWaalsContact CG-O 3.32Å; K557-R566 WeakPolarHBondContact CG-O 3.49Å; K557-R566 PolarHBondContact N-O 2.97Å; K557-R566 VanDerWaalsContact N-O 3.15Å; K557-W568 HydrophobicContact CG-CG 4.49Å; K557-D583 VanDerWaalsContact CE-CG 3.49Å; K557-D583 WeakPolarHBondContact CE-OD1 3.25Å; K557-D583 IonicContact NZ-OD1 3.13Å; K557-D583 PolarHBondContact NZ-OD1 3.49Å; K557-D583 IonicContact NZ-OD2 3.94Å; K557-D583 PolarHBondContact NZ-OD2 3.37Å
558I62.8Low70.2Confident91 Ų9162.7 Ų62.747%0.46730%0.298SS..  trans-81.8106175.1-52.7174000107.2H617 N646 I648I558-H617 HydrophobicContact CD1-CB 4.1Å; I558-H617 WeakPolarHBondContact CD1-CD2 3.37Å; I558-N646 HydrophobicContact CD1-CB 3.9Å; I558-I648 HydrophobicContact CD1-CD1 4.15Å; I558-I648 HydrophobicContact CD1-CG1 4.21Å; I558-I648 HydrophobicContact CG1-CD1 3.83Å; I558-I648 HydrophobicContact CG1-CG1 4.23Å
559G53.5Low69.9Low65 Ų6561.1 Ų61.167%0.6729%0.293SS*.SBendtrans-176.1168.9-178.400000113.9K557 R561K557-G559 PolarHBondContact O-N 2.98Å; G559-R561 PolarHBondContact O-N 3.27Å
560N42.6Very low69.8Low132 Ų13261.1 Ų61.171%0.70629%0.293SS*.  trans-60.8123.6-177.5-85.6-14.6000112.4R562N560-R562 PolarHBondContact O-N 3.01Å
561R48.2Very low69.8Low153 Ų15361.5 Ų61.558%0.57729%0.293SS*.THydrogen-bonded Turntrans-13.5-9.5177.5-69.5179.8172.9169.8-1.4123.1E429 G559E429-R561 IonicContact OE1-CZ 2.94Å; E429-R561 IonicContact OE1-NE 2.76Å; E429-R561 PolarHBondContact OE1-NE 3.17Å; E429-R561 IonicContact OE1-NH2 3.88Å; E429-R561 PolarHBondContact OE1-NH2 2.8Å; G559-R561 PolarHBondContact O-N 3.27Å
562R51Low70Confident50 Ų5057.1 Ų57.119%0.18927%0.273CS..THydrogen-bonded Turntrans-137.9-13.4-163.7-80.5169168.7-114.6-8.2118.7D159 A195 E198 S199 N560 Q564D159-R562 VanDerWaalsContact OD2-CB 3.25Å; D159-R562 WeakPolarHBondContact OD2-CB 3.27Å; A195-R562 VanDerWaalsContact C-NH1 3.3Å; A195-R562 PolarHBondContact O-NH1 3.41Å; A195-R562 PolarHBondContact O-NH2 2.93Å; E198-R562 VanDerWaalsContact C-NH2 3.27Å; E198-R562 VanDerWaalsContact CG-NH2 3.26Å; E198-R562 IonicContact OE1-CZ 3.52Å; E198-R562 IonicContact OE1-NE 3.77Å; E198-R562 IonicContact OE1-NH2 2.97Å; E198-R562 PolarHBondContact OE1-NH2 3.36Å; E198-R562 IonicContact OE2-NH2 3.54Å; E198-R562 PolarHBondContact OE2-NH2 3.48Å; E198-R562 VanDerWaalsContact OE2-NH2 3.13Å; S199-R562 VanDerWaalsContact CA-CZ 3.49Å; S199-R562 WeakPolarHBondContact OG-CD 3.22Å; S199-R562 PolarHBondContact OG-NE 3.32Å; S199-R562 PolarHBondContact OG-NH1 3Å; N560-R562 PolarHBondContact O-N 3.01Å; R562-Q564 PolarHBondContact O-N 3.37Å; R562-Q564 VanDerWaalsContact O-N 3.17Å
563R46.1Very low70.2Confident124 Ų12457.2 Ų57.247%0.46827%0.273SS..SBendtrans-64.3123.8161.3-67-172-174.6162.413.2105.4H160 E565H160-R563 PolarHBondContact CE1-NH2 2.84Å; H160-R563 PolarHBondContact ND1-NH2 3.41Å; R563-E565 PolarHBondContact O-N 3Å; R563-E565 VanDerWaalsContact O-N 3.17Å
564Q42.5Very low70.3Confident152 Ų15263.2 Ų63.271%0.7130%0.304SS*.  trans-17.6118.9171-78.2169.4-35.100108.8R562 R566R562-Q564 PolarHBondContact O-N 3.37Å; R562-Q564 VanDerWaalsContact O-N 3.17Å; Q564-R566 WeakPolarHBondContact O-CA 3.39Å; Q564-R566 WeakPolarHBondContact O-CG 3.48Å; Q564-R566 PolarHBondContact O-N 3.26Å
565E47.5Very low70.6Confident54 Ų5466.5 Ų66.525%0.25232%0.319SS..  trans-48.293.5-177.3-69-168.1144.400108.9R556 R563 F567R556-E565 IonicContact CZ-OE1 2.7Å; R556-E565 IonicContact NE-OE1 2.83Å; R556-E565 IonicContact NH1-OE1 2.84Å; R556-E565 PolarHBondContact NH1-OE1 2.86Å; R556-E565 VanDerWaalsContact NH1-OE1 3.11Å; R556-E565 IonicContact NH2-OE1 3.04Å; R556-E565 PolarHBondContact NH2-OE1 3.38Å; R563-E565 PolarHBondContact O-N 3Å; R563-E565 VanDerWaalsContact O-N 3.17Å; E565-F567 VanDerWaalsContact C-N 3.3Å; E565-F567 HydrophobicContact CB-CD2 4.3Å; E565-F567 HydrophobicContact CB-CE2 3.68Å; E565-F567 HydrophobicContact CB-CZ 4.2Å; E565-F567 WeakPolarHBondContact O-CD2 3.49Å; E565-F567 PolarHBondContact O-N 3.12Å; E565-F567 WeakPolarHBondContact OE2-CZ 3.21Å
566R58.3Low71Confident70 Ų7069.6 Ų69.626%0.26433%0.333SS..  trans-79.998-175.4-83.5-171.1-173.6179.33103K557 Q564K557-R566 WeakPolarHBondContact CB-O 3.34Å; K557-R566 HydrophobicContact CD-CB 3.98Å; K557-R566 HydrophobicContact CG-CB 4.41Å; K557-R566 VanDerWaalsContact CG-O 3.32Å; K557-R566 WeakPolarHBondContact CG-O 3.49Å; K557-R566 PolarHBondContact N-O 2.97Å; K557-R566 VanDerWaalsContact N-O 3.15Å; Q564-R566 WeakPolarHBondContact O-CA 3.39Å; Q564-R566 WeakPolarHBondContact O-CG 3.48Å; Q564-R566 PolarHBondContact O-N 3.26Å
567F72.6Confident72Confident49 Ų4973 Ų7322%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-68.6141.8165.3-67.6-84.2000107F555 E565 L584F555-F567 CarbonylContact O-C 3.43Å; F555-F567 VanDerWaalsContact O-CA 3.24Å; F555-F567 WeakPolarHBondContact O-CA 3.34Å; E565-F567 VanDerWaalsContact C-N 3.3Å; E565-F567 HydrophobicContact CB-CD2 4.3Å; E565-F567 HydrophobicContact CB-CE2 3.68Å; E565-F567 HydrophobicContact CB-CZ 4.2Å; E565-F567 WeakPolarHBondContact O-CD2 3.49Å; E565-F567 PolarHBondContact O-N 3.12Å; E565-F567 WeakPolarHBondContact OE2-CZ 3.21Å; F567-L584 PolarHBondContact O-N 3.19Å
568W83.4Confident73.2Confident15 Ų1570.5 Ų70.56%0.05734%0.342CS..EExtended strand (participates in β ladder)trans-118.3145.6165.967.1-78.9000107S554 F555 K557 C570 Y581 G582 L645 N646 F647S554-W568 CarbonylContact C-O 3.52Å; S554-W568 WeakPolarHBondContact CA-O 3.2Å; F555-W568 HydrophobicContact CB-CD2 4.11Å; F555-W568 VanDerWaalsContact CB-CE2 3.5Å; F555-W568 HydrophobicContact CB-CG 4.33Å; F555-W568 HydrophobicContact CB-CZ2 3.9Å; F555-W568 VanDerWaalsContact CB-NE1 3.3Å; F555-W568 HydrophobicContact CD2-CH2 4.41Å; F555-W568 HydrophobicContact CD2-CZ2 4.24Å; F555-W568 HydrophobicContact CG-CZ2 4.13Å; F555-W568 PolarHBondContact N-O 3.35Å; F555-W568 PolarHBondContact O-N 2.7Å; K557-W568 HydrophobicContact CG-CG 4.49Å; W568-C570 HydrophobicContact CE3-CB 4.29Å; W568-C570 HydrophobicContact CH2-CB 4.37Å; W568-C570 HydrophobicContact CZ3-CB 3.7Å; W568-Y581 HydrophobicContact CE3-CD2 4.07Å; W568-Y581 HydrophobicContact CE3-CG 4.38Å; W568-Y581 AromaticContact CZ3-CD2 3.93Å; W568-Y581 HydrophobicContact CZ3-CD2 3.93Å; W568-Y581 HydrophobicContact CZ3-CG 4.02Å; W568-G582 CarbonylContact C-O 3.45Å; W568-G582 WeakPolarHBondContact CA-O 3.43Å; W568-G582 WeakPolarHBondContact CB-O 3.32Å; W568-L645 HydrophobicContact CH2-CD1 3.66Å; W568-L645 HydrophobicContact CH2-CD2 3.81Å; W568-L645 HydrophobicContact CH2-CG 3.71Å; W568-L645 HydrophobicContact CZ2-CD1 4.37Å; W568-L645 HydrophobicContact CZ3-CD1 3.94Å; W568-L645 HydrophobicContact CZ3-CD2 3.95Å; W568-L645 HydrophobicContact CZ3-CG 4.22Å; W568-N646 WeakPolarHBondContact CZ2-O 3.27Å; W568-F647 AromaticContact CH2-CD1 3.52Å; W568-F647 HydrophobicContact CH2-CD1 3.52Å; W568-F647 HydrophobicContact CH2-CD2 4.36Å; W568-F647 AromaticContact CH2-CE1 3.19Å; W568-F647 HydrophobicContact CH2-CE1 3.19Å; W568-F647 HydrophobicContact CH2-CE2 4.05Å; W568-F647 HydrophobicContact CH2-CG 4.13Å; W568-F647 AromaticContact CH2-CZ 3.49Å; W568-F647 HydrophobicContact CH2-CZ 3.49Å; W568-F647 VanDerWaalsContact CH2-CZ 3.49Å; W568-F647 AromaticContact CZ2-CD1 3.6Å; W568-F647 HydrophobicContact CZ2-CD1 3.6Å; W568-F647 AromaticContact CZ2-CE1 3.8Å; W568-F647 HydrophobicContact CZ2-CE1 3.8Å; W568-F647 HydrophobicContact CZ2-CG 4.03Å; W568-F647 HydrophobicContact CZ2-CZ 4.34Å; W568-F647 HydrophobicContact CZ3-CE1 4.04Å; W568-F647 HydrophobicContact CZ3-CZ 4.3Å
569Y88Confident74.7Confident27 Ų2766.2 Ų66.211%0.10632%0.32CS..EExtended strand (participates in β ladder)trans-104.4144.7-178.1-159.9-102000109.3E551 G552 S553 S554 R571 Y581 G582 L584 V592 L597E551-Y569 PolarHBondContact O-OH 3.42Å; G552-Y569 VanDerWaalsContact C-CZ 3.42Å; G552-Y569 WeakPolarHBondContact CA-OH 3.38Å; G552-Y569 PolarHBondContact O-OH 2.63Å; S553-Y569 VanDerWaalsContact C-CD2 3.49Å; S553-Y569 WeakPolarHBondContact O-CA 3.38Å; S553-Y569 WeakPolarHBondContact O-CD2 3.39Å; S554-Y569 WeakPolarHBondContact OG-CD2 3.32Å; Y569-R571 HydrophobicContact CD1-CB 4.38Å; Y569-R571 HydrophobicContact CE1-CB 3.92Å; Y569-R571 HydrophobicContact CE1-CG 4.34Å; Y569-Y581 CarbonylContact O-C 3.52Å; Y569-Y581 WeakPolarHBondContact O-CA 3.45Å; Y569-Y581 VanDerWaalsContact O-CB 3.25Å; Y569-Y581 WeakPolarHBondContact O-CB 3.47Å; Y569-G582 PolarHBondContact N-O 3.43Å; Y569-G582 PolarHBondContact O-N 3.15Å; Y569-L584 HydrophobicContact CD2-CD1 3.96Å; Y569-L584 HydrophobicContact CG-CD1 4.24Å; Y569-V592 HydrophobicContact CD1-CB 3.88Å; Y569-V592 HydrophobicContact CD1-CG1 3.81Å; Y569-V592 HydrophobicContact CD1-CG2 4.21Å; Y569-V592 HydrophobicContact CD2-CG2 4.09Å; Y569-V592 HydrophobicContact CE1-CB 3.81Å; Y569-V592 HydrophobicContact CE1-CG1 4.24Å; Y569-V592 HydrophobicContact CE1-CG2 4.19Å; Y569-V592 HydrophobicContact CE2-CG2 4.11Å; Y569-V592 HydrophobicContact CG-CB 4.28Å; Y569-V592 HydrophobicContact CG-CG1 4.16Å; Y569-V592 HydrophobicContact CG-CG2 4.14Å; Y569-L597 HydrophobicContact CD1-CD1 4.06Å; Y569-L597 HydrophobicContact CD1-CD2 4.25Å
570C92.4Very high76.6Confident0 Ų064.1 Ų64.10%029%0.292CS..EExtended strand (participates in β ladder)trans-133.5134.6169.9-169.40000109.7G552 S553 F555 W568 H580 F647 W658G552-C570 CarbonylContact C-O 3.52Å; G552-C570 WeakPolarHBondContact CA-O 3.48Å; S553-C570 PolarHBondContact N-O 2.89Å; S553-C570 PolarHBondContact O-N 3.07Å; F555-C570 HydrophobicContact CD2-CB 4.24Å; F555-C570 HydrophobicContact CE2-CB 3.95Å; W568-C570 HydrophobicContact CE3-CB 4.29Å; W568-C570 HydrophobicContact CH2-CB 4.37Å; W568-C570 HydrophobicContact CZ3-CB 3.7Å; C570-H580 CarbonylContact C-O 3.52Å; C570-H580 VanDerWaalsContact CA-O 3.3Å; C570-H580 WeakPolarHBondContact CA-O 3.34Å; C570-F647 HydrophobicContact CB-CE1 4.19Å; C570-W658 HydrophobicContact CB-CH2 3.6Å; C570-W658 HydrophobicContact CB-CZ2 4.27Å; C570-W658 HydrophobicContact CB-CZ3 4.26Å; C570-W658 VanDerWaalsContact O-CH2 3.32Å; C570-W658 WeakPolarHBondContact O-CH2 3.42Å; C570-W658 VanDerWaalsContact O-CZ2 3.26Å; C570-W658 WeakPolarHBondContact O-CZ2 3.4Å
571R93.3Very high78.9Confident14 Ų1458.9 Ų58.95%0.05326%0.263CS..EExtended strand (participates in β ladder)trans-144.7150.9173.876.1-177.7-65178.60.2112L549 C550 E551 Y569 H580 E591 V592 F594 L597L549-R571 CarbonylContact O-C 3.57Å; L549-R571 VanDerWaalsContact O-CA 3.31Å; L549-R571 WeakPolarHBondContact O-CA 3.31Å; C550-R571 PolarHBondContact O-NE 3.48Å; C550-R571 PolarHBondContact O-NH2 3.29Å; E551-R571 PolarHBondContact O-NE 3.3Å; Y569-R571 HydrophobicContact CD1-CB 4.38Å; Y569-R571 HydrophobicContact CE1-CB 3.92Å; Y569-R571 HydrophobicContact CE1-CG 4.34Å; R571-H580 HydrophobicContact CG-CB 4.44Å; R571-H580 PolarHBondContact N-O 3.39Å; R571-H580 PolarHBondContact O-N 3.07Å; R571-E591 IonicContact NH1-OE1 3.24Å; R571-E591 IonicContact NH2-OE1 3.86Å; R571-V592 PolarHBondContact NH1-O 3.08Å; R571-F594 HydrophobicContact CG-CD1 4.18Å; R571-F594 HydrophobicContact CG-CE1 3.73Å; R571-F594 HydrophobicContact CG-CZ 4.41Å; R571-L597 HydrophobicContact CG-CD1 3.64Å
572L95.3Very high80.7Confident0 Ų051.9 Ų51.90%024%0.238CC..EExtended strand (participates in β ladder)trans-85.5140.7175.6-174.965.7000110.3L546 L549 C550 H576 L579 V603 L665L546-L572 HydrophobicContact CD2-CD2 4.23Å; L549-L572 HydrophobicContact CB-CB 3.82Å; L549-L572 HydrophobicContact CB-CD2 4.01Å; L549-L572 HydrophobicContact CD1-CD2 4.28Å; L549-L572 PolarHBondContact O-N 3.48Å; C550-L572 WeakPolarHBondContact CA-O 3.45Å; L572-H576 HydrophobicContact CD2-CB 4.11Å; L572-L579 HydrophobicContact CB-CD2 4.01Å; L572-L579 HydrophobicContact CD1-CD2 3.89Å; L572-L579 HydrophobicContact CD1-CG 4.1Å; L572-V603 HydrophobicContact CD1-CG2 3.96Å; L572-L665 HydrophobicContact CD1-CD1 4.41Å; L572-L665 HydrophobicContact CD1-CD2 3.9Å; L572-L665 HydrophobicContact CD2-CD1 3.99Å; L572-L665 HydrophobicContact CD2-CD2 4.22Å
573A92.3Very high82.2Confident10 Ų1052.6 Ų52.68%0.08325%0.245CC..  trans-65.8146.6169.900000110.4N575 H576 V578 F594A573-N575 WeakPolarHBondContact CB-OD1 3.32Å; A573-N575 PolarHBondContact O-N 2.95Å; A573-H576 WeakPolarHBondContact O-CA 3.27Å; A573-H576 PolarHBondContact O-N 3.44Å; A573-V578 HydrophobicContact CB-CB 4.35Å; A573-V578 WeakPolarHBondContact CB-O 3.3Å; A573-V578 PolarHBondContact N-O 2.84Å; A573-F594 HydrophobicContact CB-CE1 4.36Å
574L91Very high83.2Confident135 Ų13547.6 Ų47.671%0.70723%0.228SC*.THydrogen-bonded Turntrans-58-18.8-178.7-63.8175.6000114.4C550 H576C550-L574 HydrophobicContact CB-CD2 4.09Å; L574-H576 VanDerWaalsContact C-N 3.29Å
575N92.3Very high83.8Confident99 Ų9946.4 Ų46.453%0.52923%0.227SC..THydrogen-bonded Turntrans-85.4-1.2174.766.68.3000113.6A573 K577A573-N575 WeakPolarHBondContact CB-OD1 3.32Å; A573-N575 PolarHBondContact O-N 2.95Å; N575-K577 WeakPolarHBondContact O-CG 3.34Å; N575-K577 PolarHBondContact O-N 3.4Å; N575-K577 WeakPolarHBondContact OD1-CB 3.46Å; N575-K577 PolarHBondContact OD1-N 3.45Å
576H94.5Very high84.1Confident65 Ų6550.7 Ų50.730%0.30125%0.251SS..SBendtrans58.225.9-177.3-51150.8000114.8C550 L572 A573 L574 L665C550-H576 VanDerWaalsContact SG-CD2 3.51Å; L572-H576 HydrophobicContact CD2-CB 4.11Å; A573-H576 WeakPolarHBondContact O-CA 3.27Å; A573-H576 PolarHBondContact O-N 3.44Å; L574-H576 VanDerWaalsContact C-N 3.29Å; H576-L665 HydrophobicContact CB-CD1 3.83Å; H576-L665 WeakPolarHBondContact O-CD1 3.44Å
577K94.4Very high83.7Confident142 Ų14252.5 Ų52.562%0.61727%0.266SS*.SBendtrans-108.7-16.7-176.4-67.9-179-177.5-174.90114.8N575 V603N575-K577 WeakPolarHBondContact O-CG 3.34Å; N575-K577 PolarHBondContact O-N 3.4Å; N575-K577 WeakPolarHBondContact OD1-CB 3.46Å; N575-K577 PolarHBondContact OD1-N 3.45Å; K577-V603 VanDerWaalsContact C-CG2 3.46Å; K577-V603 WeakPolarHBondContact O-CG2 3.45Å; K577-V603 PolarHBondContact O-N 3.21Å
578V94.6Very high82.5Confident34 Ų3452.6 Ų52.621%0.20627%0.272CS..EExtended strand (participates in β ladder)trans-142.5127.5-174.7-175.20000109.8A573 K600 I601A573-V578 HydrophobicContact CB-CB 4.35Å; A573-V578 WeakPolarHBondContact CB-O 3.3Å; A573-V578 PolarHBondContact N-O 2.84Å; V578-K600 HydrophobicContact CG1-CB 3.84Å; V578-K600 HydrophobicContact CG1-CD 4.37Å; V578-K600 HydrophobicContact CG1-CG 4.2Å; V578-I601 WeakPolarHBondContact CA-O 3.33Å
579L95Very high80.5Confident0 Ų061.8 Ų61.80%032%0.315CS..EExtended strand (participates in β ladder)trans-85.3128.8164.5-75.8167.4000108.9L572 K600 I601 I606 I637 W658 L662L572-L579 HydrophobicContact CB-CD2 4.01Å; L572-L579 HydrophobicContact CD1-CD2 3.89Å; L572-L579 HydrophobicContact CD1-CG 4.1Å; L579-K600 CarbonylContact O-C 3.54Å; L579-K600 VanDerWaalsContact O-CA 3.25Å; L579-K600 WeakPolarHBondContact O-CA 3.47Å; L579-I601 HydrophobicContact CB-CB 4.37Å; L579-I601 PolarHBondContact N-O 2.92Å; L579-I601 PolarHBondContact O-N 3.34Å; L579-I606 HydrophobicContact CD1-CD1 3.93Å; L579-I637 HydrophobicContact CD1-CD1 3.66Å; L579-W658 HydrophobicContact CD2-CZ3 4.29Å; L579-L662 HydrophobicContact CD1-CD2 4.05Å
580H92.8Very high79.1Confident21 Ų2163.1 Ų63.110%0.09734%0.338CS..EExtended strand (participates in β ladder)trans-105.3135.8174.3-68.9-104.8000109.1C570 R571 F594 L597 E599 K600C570-H580 CarbonylContact C-O 3.52Å; C570-H580 VanDerWaalsContact CA-O 3.3Å; C570-H580 WeakPolarHBondContact CA-O 3.34Å; R571-H580 HydrophobicContact CG-CB 4.44Å; R571-H580 PolarHBondContact N-O 3.39Å; R571-H580 PolarHBondContact O-N 3.07Å; H580-F594 HydrophobicContact CB-CD1 4.07Å; H580-F594 AromaticContact CD2-CD1 3.61Å; H580-F594 AromaticContact CD2-CE1 3.78Å; H580-F594 AromaticContact CG-CD1 3.63Å; H580-F594 AromaticContact ND1-CD1 3.93Å; H580-F594 AromaticContact NE2-CD1 3.92Å; H580-L597 HydrophobicContact CB-CB 3.94Å; H580-L597 HydrophobicContact CB-CD1 3.77Å; H580-E599 CarbonylContact C-O 3.6Å; H580-E599 WeakPolarHBondContact CA-O 3.33Å; H580-K600 VanDerWaalsContact CE1-CE 3.49Å; H580-K600 WeakPolarHBondContact CE1-CE 3.33Å
581Y91.7Very high77.6Confident23 Ų2370.5 Ų70.59%0.0937%0.372CS..EExtended strand (participates in β ladder)trans-146.6164.6175.668-78000112.6W568 Y569 L597 Q598 E599 I601 L645W568-Y581 HydrophobicContact CE3-CD2 4.07Å; W568-Y581 HydrophobicContact CE3-CG 4.38Å; W568-Y581 AromaticContact CZ3-CD2 3.93Å; W568-Y581 HydrophobicContact CZ3-CD2 3.93Å; W568-Y581 HydrophobicContact CZ3-CG 4.02Å; Y569-Y581 CarbonylContact O-C 3.52Å; Y569-Y581 WeakPolarHBondContact O-CA 3.45Å; Y569-Y581 VanDerWaalsContact O-CB 3.25Å; Y569-Y581 WeakPolarHBondContact O-CB 3.47Å; Y581-L597 CarbonylContact O-C 3.6Å; Y581-Q598 PolarHBondContact O-N 3.31Å; Y581-E599 HydrophobicContact CD1-CB 3.68Å; Y581-E599 HydrophobicContact CD2-CB 3.71Å; Y581-E599 HydrophobicContact CD2-CG 4.14Å; Y581-E599 HydrophobicContact CE1-CB 3.38Å; Y581-E599 HydrophobicContact CE2-CB 3.42Å; Y581-E599 VanDerWaalsContact CE2-CB 3.42Å; Y581-E599 HydrophobicContact CE2-CG 3.75Å; Y581-E599 HydrophobicContact CG-CB 3.82Å; Y581-E599 PolarHBondContact N-O 3.27Å; Y581-E599 WeakPolarHBondContact O-CA 3.3Å; Y581-E599 VanDerWaalsContact O-CB 3.25Å; Y581-E599 WeakPolarHBondContact O-CB 3.37Å; Y581-E599 PolarHBondContact O-N 3.14Å; Y581-E599 PolarHBondContact OH-OE2 3.36Å; Y581-I601 HydrophobicContact CD1-CD1 4.26Å; Y581-I601 HydrophobicContact CE1-CD1 3.65Å; Y581-I601 HydrophobicContact CE1-CG1 3.84Å; Y581-L645 HydrophobicContact CD1-CD2 4.03Å; Y581-L645 HydrophobicContact CD2-CD1 4.02Å; Y581-L645 HydrophobicContact CD2-CD2 4.35Å; Y581-L645 HydrophobicContact CE1-CD2 4.18Å; Y581-L645 HydrophobicContact CE2-CD1 3.76Å; Y581-L645 HydrophobicContact CE2-CD2 4.48Å; Y581-L645 HydrophobicContact CG-CD2 4.14Å
582G86.6Confident76.6Confident5 Ų570.2 Ų70.25%0.05237%0.372CS..EExtended strand (participates in β ladder)trans175.6165.5-179.400000112.3W568 Y569W568-G582 CarbonylContact C-O 3.45Å; W568-G582 WeakPolarHBondContact CA-O 3.43Å; W568-G582 WeakPolarHBondContact CB-O 3.32Å; Y569-G582 PolarHBondContact N-O 3.43Å; Y569-G582 PolarHBondContact O-N 3.15Å
583D81.6Confident75.7Confident65 Ų6573.8 Ų73.835%0.34839%0.394SS..EExtended strand (participates in β ladder)trans-71.9143.8176.3-68.5-3.7000110.8K557K557-D583 VanDerWaalsContact CE-CG 3.49Å; K557-D583 WeakPolarHBondContact CE-OD1 3.25Å; K557-D583 IonicContact NZ-OD1 3.13Å; K557-D583 PolarHBondContact NZ-OD1 3.49Å; K557-D583 IonicContact NZ-OD2 3.94Å; K557-D583 PolarHBondContact NZ-OD2 3.37Å
584L67.9Low74.8Confident20 Ų2076.5 Ų76.511%0.10540%0.404CS..  trans-106.9125.5168.8-65.8173.4000108.7F567 Y569 D586 P588 V592F567-L584 PolarHBondContact O-N 3.19Å; Y569-L584 HydrophobicContact CD2-CD1 3.96Å; Y569-L584 HydrophobicContact CG-CD1 4.24Å; L584-D586 VanDerWaalsContact C-N 3.32Å; L584-P588 HydrophobicContact CD1-CG 4.02Å; L584-P588 HydrophobicContact CD2-CG 4.33Å; L584-V592 HydrophobicContact CD2-CG1 4.13Å; L584-V592 HydrophobicContact CD2-CG2 4.16Å
585D54.4Low74Confident127 Ų12778.8 Ų78.868%0.67941%0.411SS*.SBendtrans-77.7-16.6178.2-72.2-37.7000113
586D53.1Low73.1Confident143 Ų14376.5 Ų76.577%0.76540%0.403SS*.SBendtrans-155158.2174.6-98.9-41.2000110.6L584 P588L584-D586 VanDerWaalsContact C-N 3.32Å; D586-P588 WeakPolarHBondContact O-CD 3.48Å
587N49.6Very low72.5Confident109 Ų10973.6 Ų73.658%0.58339%0.389SS*.  trans-65.3103.4175.3-165.323.1000109.3Q589N587-Q589 PolarHBondContact O-N 2.92Å
588P48.3Very low71.8Confident51 Ų5173.5 Ų73.533%0.33139%0.391SS..  trans-68.5122.3-167.125.4-28.8000109.4L584 D586 G590 V592L584-P588 HydrophobicContact CD1-CG 4.02Å; L584-P588 HydrophobicContact CD2-CG 4.33Å; D586-P588 WeakPolarHBondContact O-CD 3.48Å; P588-G590 PolarHBondContact O-N 3.37Å; P588-V592 HydrophobicContact CB-CG2 4.2Å; P588-V592 HydrophobicContact CG-CG2 3.55Å
589Q41.8Very low71.5Confident207 Ų20774.2 Ų74.297%0.96739%0.392SS*.SBendtrans-77.970.8164.6-72-174.9-4.400108.4N587N587-Q589 PolarHBondContact O-N 2.92Å
590G57.9Low71.3Confident56 Ų5680.2 Ų80.258%0.57742%0.418SS*.SBendtrans160178.1-179.500000114.3P588P588-G590 PolarHBondContact O-N 3.37Å
591E60.5Low71.3Confident154 Ų15479.2 Ų79.272%0.7241%0.414SS*.  trans-74.9126.7177.3-157.4-176.1165.700110.6R571 T593R571-E591 IonicContact NH1-OE1 3.24Å; R571-E591 IonicContact NH2-OE1 3.86Å; E591-T593 PolarHBondContact O-N 3.35Å
592V73Confident71.4Confident8 Ų880.6 Ų80.65%0.04843%0.426CS..  trans-77.7115.6-179.51800000109.6Y569 R571 L584 P588 S596 L597Y569-V592 HydrophobicContact CD1-CB 3.88Å; Y569-V592 HydrophobicContact CD1-CG1 3.81Å; Y569-V592 HydrophobicContact CD1-CG2 4.21Å; Y569-V592 HydrophobicContact CD2-CG2 4.09Å; Y569-V592 HydrophobicContact CE1-CB 3.81Å; Y569-V592 HydrophobicContact CE1-CG1 4.24Å; Y569-V592 HydrophobicContact CE1-CG2 4.19Å; Y569-V592 HydrophobicContact CE2-CG2 4.11Å; Y569-V592 HydrophobicContact CG-CB 4.28Å; Y569-V592 HydrophobicContact CG-CG1 4.16Å; Y569-V592 HydrophobicContact CG-CG2 4.14Å; R571-V592 PolarHBondContact NH1-O 3.08Å; L584-V592 HydrophobicContact CD2-CG1 4.13Å; L584-V592 HydrophobicContact CD2-CG2 4.16Å; P588-V592 HydrophobicContact CB-CG2 4.2Å; P588-V592 HydrophobicContact CG-CG2 3.55Å; V592-S596 VanDerWaalsContact CG1-OG 3.24Å; V592-S596 WeakPolarHBondContact CG1-OG 3.37Å; V592-L597 HydrophobicContact CG1-CD1 4.38Å; V592-L597 HydrophobicContact CG1-CD2 3.88Å; V592-L597 HydrophobicContact CG1-CG 4.13Å
593T75.8Confident71.8Confident75 Ų7581.3 Ų81.346%0.4643%0.429SS..  trans-75.2150.7-177.6640000111.8E591 E595 S596E591-T593 PolarHBondContact O-N 3.35Å; T593-E595 PolarHBondContact O-N 3.24Å; T593-E595 VanDerWaalsContact O-N 3.14Å; T593-S596 PolarHBondContact O-N 3.5Å; T593-S596 VanDerWaalsContact O-N 3.11Å; T593-S596 PolarHBondContact O-OG 3.12Å
594F74.8Confident72.3Confident68 Ų6882.9 Ų82.930%0.29845%0.451SS..G310 helixtrans-58.1-27.3176.9-70.9-73.7000113.7R571 A573 H580 S596 L597R571-F594 HydrophobicContact CG-CD1 4.18Å; R571-F594 HydrophobicContact CG-CE1 3.73Å; R571-F594 HydrophobicContact CG-CZ 4.41Å; A573-F594 HydrophobicContact CB-CE1 4.36Å; H580-F594 HydrophobicContact CB-CD1 4.07Å; H580-F594 AromaticContact CD2-CD1 3.61Å; H580-F594 AromaticContact CD2-CE1 3.78Å; H580-F594 AromaticContact CG-CD1 3.63Å; H580-F594 AromaticContact ND1-CD1 3.93Å; H580-F594 AromaticContact NE2-CD1 3.92Å; F594-S596 VanDerWaalsContact C-N 3.31Å; F594-L597 PolarHBondContact O-N 3.02Å
595E72.9Confident73.6Confident182 Ų18284.9 Ų84.985%0.8546%0.461SS*.G310 helixtrans-70.7-26.8-179.8-67.2157.2-178.300112.6T593 L597T593-E595 PolarHBondContact O-N 3.24Å; T593-E595 VanDerWaalsContact O-N 3.14Å; E595-L597 VanDerWaalsContact C-N 3.29Å
596S73.3Confident75.5Confident52 Ų5279.5 Ų79.536%0.36443%0.433SS..G310 helixtrans-77.3-15.5174.768.10000113.3V592 T593 F594V592-S596 VanDerWaalsContact CG1-OG 3.24Å; V592-S596 WeakPolarHBondContact CG1-OG 3.37Å; T593-S596 PolarHBondContact O-N 3.5Å; T593-S596 VanDerWaalsContact O-N 3.11Å; T593-S596 PolarHBondContact O-OG 3.12Å; F594-S596 VanDerWaalsContact C-N 3.31Å
597L81.9Confident77.4Confident3 Ų377.2 Ų77.22%0.01642%0.416CS..  trans-99.697.3-178.5-56.9177.6000109.7Y569 R571 H580 Y581 V592 F594 E595 E599Y569-L597 HydrophobicContact CD1-CD1 4.06Å; Y569-L597 HydrophobicContact CD1-CD2 4.25Å; R571-L597 HydrophobicContact CG-CD1 3.64Å; H580-L597 HydrophobicContact CB-CB 3.94Å; H580-L597 HydrophobicContact CB-CD1 3.77Å; Y581-L597 CarbonylContact O-C 3.6Å; V592-L597 HydrophobicContact CG1-CD1 4.38Å; V592-L597 HydrophobicContact CG1-CD2 3.88Å; V592-L597 HydrophobicContact CG1-CG 4.13Å; F594-L597 PolarHBondContact O-N 3.02Å; E595-L597 VanDerWaalsContact C-N 3.29Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.15Å
598Q79.7Confident79.4Confident141 Ų14173.4 Ų73.466%0.65940%0.399SS*.  trans-70.6-26.2-170.8-60.3179.2-1.200112.7Y581Y581-Q598 PolarHBondContact O-N 3.31Å
599E87.9Confident81.6Confident49 Ų4972.5 Ų72.523%0.22939%0.392CS..EExtended strand (participates in β ladder)trans-104145.5-168.4-52.4-75.3107.300111.8K70 H580 Y581 L597K70-E599 WeakPolarHBondContact CD-OE1 2.9Å; K70-E599 WeakPolarHBondContact CE-OE2 3.31Å; K70-E599 IonicContact NZ-OE1 2.55Å; K70-E599 IonicContact NZ-OE2 2.65Å; K70-E599 PolarHBondContact NZ-OE2 2.82Å; H580-E599 CarbonylContact C-O 3.6Å; H580-E599 WeakPolarHBondContact CA-O 3.33Å; Y581-E599 HydrophobicContact CD1-CB 3.68Å; Y581-E599 HydrophobicContact CD2-CB 3.71Å; Y581-E599 HydrophobicContact CD2-CG 4.14Å; Y581-E599 HydrophobicContact CE1-CB 3.38Å; Y581-E599 HydrophobicContact CE2-CB 3.42Å; Y581-E599 VanDerWaalsContact CE2-CB 3.42Å; Y581-E599 HydrophobicContact CE2-CG 3.75Å; Y581-E599 HydrophobicContact CG-CB 3.82Å; Y581-E599 PolarHBondContact N-O 3.27Å; Y581-E599 WeakPolarHBondContact O-CA 3.3Å; Y581-E599 VanDerWaalsContact O-CB 3.25Å; Y581-E599 WeakPolarHBondContact O-CB 3.37Å; Y581-E599 PolarHBondContact O-N 3.14Å; Y581-E599 PolarHBondContact OH-OE2 3.36Å; L597-E599 VanDerWaalsContact C-N 3.28Å; L597-E599 PolarHBondContact O-N 3.15Å
600K91.7Very high84.1Confident125 Ų12564.1 Ų64.154%0.54335%0.354SS..EExtended strand (participates in β ladder)trans-140.5136.5-174.5-60.6179.6-168175.50111.8V578 L579 H580V578-K600 HydrophobicContact CG1-CB 3.84Å; V578-K600 HydrophobicContact CG1-CD 4.37Å; V578-K600 HydrophobicContact CG1-CG 4.2Å; L579-K600 CarbonylContact O-C 3.54Å; L579-K600 VanDerWaalsContact O-CA 3.25Å; L579-K600 WeakPolarHBondContact O-CA 3.47Å; H580-K600 VanDerWaalsContact CE1-CE 3.49Å; H580-K600 WeakPolarHBondContact CE1-CE 3.33Å
601I93.3Very high85.8Confident1 Ų164 Ų641%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-121.2113.5169.2-67.3157.7000107.9V578 L579 Y581 V603 I606 Y639 L645V578-I601 WeakPolarHBondContact CA-O 3.33Å; L579-I601 HydrophobicContact CB-CB 4.37Å; L579-I601 PolarHBondContact N-O 2.92Å; L579-I601 PolarHBondContact O-N 3.34Å; Y581-I601 HydrophobicContact CD1-CD1 4.26Å; Y581-I601 HydrophobicContact CE1-CD1 3.65Å; Y581-I601 HydrophobicContact CE1-CG1 3.84Å; I601-V603 PolarHBondContact O-N 3.14Å; I601-I606 HydrophobicContact CG2-CD1 4.4Å; I601-I606 HydrophobicContact CG2-CG1 3.9Å; I601-Y639 HydrophobicContact CD1-CD1 3.9Å; I601-Y639 HydrophobicContact CD1-CE1 3.56Å; I601-Y639 HydrophobicContact CD1-CE2 4.39Å; I601-Y639 HydrophobicContact CD1-CG 4.44Å; I601-Y639 HydrophobicContact CG1-CD1 4.29Å; I601-Y639 HydrophobicContact CG1-CD2 4.19Å; I601-Y639 HydrophobicContact CG1-CE1 4.05Å; I601-Y639 HydrophobicContact CG1-CE2 3.96Å; I601-Y639 HydrophobicContact CG1-CG 4.36Å; I601-Y639 HydrophobicContact CG2-CD1 4.45Å; I601-Y639 HydrophobicContact CG2-CD2 4.23Å; I601-Y639 HydrophobicContact CG2-CG 4.04Å; I601-L645 HydrophobicContact CD1-CB 4Å; I601-L645 HydrophobicContact CD1-CD2 3.56Å; I601-L645 HydrophobicContact CD1-CG 4.38Å
602P94.3Very high87.2Confident52 Ų5257.2 Ų57.234%0.33831%0.314SS..EExtended strand (participates in β ladder)trans-60.1131.8167.3-21.434.7000109.8A604 D605P602-A604 PolarHBondContact O-N 2.77Å; P602-D605 HydrophobicContact CB-CB 4.48Å; P602-D605 WeakPolarHBondContact CB-OD2 3.47Å; P602-D605 WeakPolarHBondContact CD-OD2 3.49Å; P602-D605 WeakPolarHBondContact CG-OD2 3.36Å; P602-D605 WeakPolarHBondContact O-CB 3.34Å; P602-D605 PolarHBondContact O-N 3.03Å
603V93.7Very high87.8Confident20 Ų2063.8 Ų63.812%0.12134%0.342CS..G310 helixtrans-61.4-30.9-178.8171.40000111.4L572 K577 I601 D605 I606 L665L572-V603 HydrophobicContact CD1-CG2 3.96Å; K577-V603 VanDerWaalsContact C-CG2 3.46Å; K577-V603 WeakPolarHBondContact O-CG2 3.45Å; K577-V603 PolarHBondContact O-N 3.21Å; I601-V603 PolarHBondContact O-N 3.14Å; V603-D605 PolarHBondContact O-N 2.77Å; V603-I606 WeakPolarHBondContact O-CB 3.46Å; V603-I606 PolarHBondContact O-N 2.83Å; V603-L665 HydrophobicContact CB-CD2 4.48Å; V603-L665 HydrophobicContact CG1-CD1 4.13Å; V603-L665 HydrophobicContact CG1-CD2 3.86Å; V603-L665 HydrophobicContact CG1-CG 3.66Å; V603-L665 HydrophobicContact CG2-CD1 4.46Å; V603-L665 HydrophobicContact CG2-CD2 3.73Å; V603-L665 HydrophobicContact CG2-CG 4.3Å
604A93.3Very high88.4Confident97 Ų9764.5 Ų64.580%0.80234%0.343SS*.G310 helixtrans-63.3-22.5175.800000113.6P602P602-A604 PolarHBondContact O-N 2.77Å
605D94.1Very high89.1Confident62 Ų6261.2 Ų61.233%0.33233%0.329SS..G310 helixtrans-89.3-7.3-178.2-58.6-15.9000111.6P602 V603 K607 Y639 D640P602-D605 HydrophobicContact CB-CB 4.48Å; P602-D605 WeakPolarHBondContact CB-OD2 3.47Å; P602-D605 WeakPolarHBondContact CD-OD2 3.49Å; P602-D605 WeakPolarHBondContact CG-OD2 3.36Å; P602-D605 WeakPolarHBondContact O-CB 3.34Å; P602-D605 PolarHBondContact O-N 3.03Å; V603-D605 PolarHBondContact O-N 2.77Å; D605-K607 PolarHBondContact O-N 3.29Å; D605-Y639 CarbonylContact O-C 3.54Å; D605-Y639 WeakPolarHBondContact O-CA 3.44Å; D605-Y639 VanDerWaalsContact O-CB 3.29Å; D605-Y639 WeakPolarHBondContact O-CB 3.46Å; D605-D640 HydrophobicContact CB-CB 4.38Å; D605-D640 PolarHBondContact O-N 3.12Å
606I94.8Very high89.7Confident15 Ų1555 Ų558%0.07730%0.304CS..EExtended strand (participates in β ladder)trans-74.1118.9178.4-59.9175.2000109.7L579 I601 V603 I609 I637 L666L579-I606 HydrophobicContact CD1-CD1 3.93Å; I601-I606 HydrophobicContact CG2-CD1 4.4Å; I601-I606 HydrophobicContact CG2-CG1 3.9Å; V603-I606 WeakPolarHBondContact O-CB 3.46Å; V603-I606 PolarHBondContact O-N 2.83Å; I606-I609 HydrophobicContact CG2-CD1 4.02Å; I606-I637 HydrophobicContact CB-CG2 4.31Å; I606-I637 HydrophobicContact CD1-CG2 4.01Å; I606-I637 HydrophobicContact CG1-CG2 3.8Å; I606-I637 HydrophobicContact CG2-CG2 3.71Å; I606-L666 HydrophobicContact CB-CD2 4.04Å; I606-L666 HydrophobicContact CG2-CD1 3.9Å; I606-L666 HydrophobicContact CG2-CD2 3.93Å; I606-L666 HydrophobicContact CG2-CG 4.49Å
607K92.4Very high90.1Very high94 Ų9454.3 Ų54.341%0.40930%0.295SS..EExtended strand (participates in β ladder)trans-86.4-47.4177.5-60.9-176.2-175.9179.70112.2D605 L638 D640 D642D605-K607 PolarHBondContact O-N 3.29Å; K607-L638 PolarHBondContact N-O 3.41Å; K607-D640 WeakPolarHBondContact CE-OD1 3.43Å; K607-D640 WeakPolarHBondContact CE-OD2 3.4Å; K607-D640 IonicContact NZ-OD1 3.82Å; K607-D640 PolarHBondContact NZ-OD1 3.33Å; K607-D640 IonicContact NZ-OD2 2.69Å; K607-D642 IonicContact NZ-OD1 3.79Å; K607-D642 PolarHBondContact NZ-OD1 3.06Å
608A92.6Very high90Very high29 Ų2955 Ų5524%0.2430%0.298CS..EExtended strand (participates in β ladder)trans-159.7156.8-172.500000112.3L638A608-L638 HydrophobicContact CB-CD1 4.27Å; A608-L638 PolarHBondContact N-O 2.92Å; A608-L638 PolarHBondContact O-N 2.71Å
609I94.7Very high89.6Confident33 Ų3354.7 Ų54.717%0.16930%0.295CS..EExtended strand (participates in β ladder)trans-110.8127.1167.7-49.9-53.3000107.1I606 S636 I637 I659 L662 L666I606-I609 HydrophobicContact CG2-CD1 4.02Å; I609-S636 WeakPolarHBondContact CA-O 3.42Å; I609-I637 HydrophobicContact CD1-CB 4.06Å; I609-I637 HydrophobicContact CD1-CG1 3.68Å; I609-I637 HydrophobicContact CD1-CG2 4Å; I609-I659 HydrophobicContact CG2-CD1 3.8Å; I609-L662 HydrophobicContact CD1-CB 4.31Å; I609-L662 HydrophobicContact CD1-CD1 4.07Å; I609-L662 HydrophobicContact CG1-CB 4.12Å; I609-L662 HydrophobicContact CG1-CD1 4.45Å; I609-L666 HydrophobicContact CD1-CD1 4.26Å; I609-L666 HydrophobicContact CG1-CD1 3.89Å
610V94.2Very high88.1Confident30 Ų3059.1 Ų59.118%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-114.7154.2175-650000110D614 F635 S636 L638V610-D614 HydrophobicContact CB-CB 4.19Å; V610-F635 CarbonylContact O-C 3.45Å; V610-F635 WeakPolarHBondContact O-CA 3.32Å; V610-F635 WeakPolarHBondContact O-CB 3.31Å; V610-S636 PolarHBondContact N-O 3.09Å; V610-S636 PolarHBondContact O-N 2.99Å; V610-L638 HydrophobicContact CG1-CD1 3.79Å; V610-L638 HydrophobicContact CG1-CG 4.42Å; V610-L638 HydrophobicContact CG2-CD1 4.38Å; V610-L638 HydrophobicContact CG2-CD2 4.26Å; V610-L638 HydrophobicContact CG2-CG 4.29Å
611T93.4Very high85.8Confident54 Ų5462.5 Ų62.533%0.33133%0.33SS..EExtended strand (participates in β ladder)trans-134.1155.2-17561.70000112K613 D614 C615 A634 F635 Y655 I659T611-K613 PolarHBondContact O-N 3.38Å; T611-D614 PolarHBondContact O-N 2.9Å; T611-D614 VanDerWaalsContact O-N 3.14Å; T611-C615 VanDerWaalsContact CA-SG 3.59Å; T611-A634 WeakPolarHBondContact CA-O 3.25Å; T611-F635 HydrophobicContact CG2-CB 4Å; T611-Y655 WeakPolarHBondContact CB-OH 3.46Å; T611-Y655 WeakPolarHBondContact CG2-OH 3.44Å; T611-I659 HydrophobicContact CG2-CD1 3.63Å; T611-I659 HydrophobicContact CG2-CG1 4.45Å
612G88.6Confident83.5Confident12 Ų1267 Ų6712%0.12436%0.362CS..G310 helixtrans49.6-122.9178.100000114.6D614 C615 M618 L631 A634G612-D614 PolarHBondContact O-N 3.45Å; G612-D614 VanDerWaalsContact O-N 3.17Å; G612-C615 PolarHBondContact N-SG 2.77Å; G612-C615 WeakPolarHBondContact O-CB 3.41Å; G612-C615 PolarHBondContact O-N 3.05Å; G612-C615 VanDerWaalsContact O-N 3.12Å; G612-C615 PolarHBondContact O-SG 3.22Å; G612-C615 VanDerWaalsContact O-SG 3.36Å; G612-M618 WeakPolarHBondContact O-CB 3.48Å; G612-M618 WeakPolarHBondContact O-CG 3.02Å; G612-L631 WeakPolarHBondContact CA-O 3.19Å; G612-A634 PolarHBondContact N-O 3.18Å
613K86.8Confident81.1Confident146 Ų14666.9 Ų66.964%0.63537%0.365SS*.G310 helixtrans-63.3-20.5-175.566.9-178.7-178.1179.80114T611 C615 L631T611-K613 PolarHBondContact O-N 3.38Å; K613-C615 VanDerWaalsContact C-N 3.29Å; K613-L631 HydrophobicContact CB-CD2 4.21Å
614D87.9Confident78.7Confident89 Ų8970.4 Ų70.448%0.47638%0.382SS..G310 helixtrans-82.1-15.4-178.9-61.7-43.4000111.6V610 T611 G612V610-D614 HydrophobicContact CB-CB 4.19Å; T611-D614 PolarHBondContact O-N 2.9Å; T611-D614 VanDerWaalsContact O-N 3.14Å; G612-D614 PolarHBondContact O-N 3.45Å; G612-D614 VanDerWaalsContact O-N 3.17Å
615C88.9Confident76.5Confident0 Ų075 Ų750%038%0.384CS..SBendtrans-61.6131171.9-62.80000111.2T611 G612 K613 H617 M618 F635T611-C615 VanDerWaalsContact CA-SG 3.59Å; G612-C615 PolarHBondContact N-SG 2.77Å; G612-C615 WeakPolarHBondContact O-CB 3.41Å; G612-C615 PolarHBondContact O-N 3.05Å; G612-C615 VanDerWaalsContact O-N 3.12Å; G612-C615 PolarHBondContact O-SG 3.22Å; G612-C615 VanDerWaalsContact O-SG 3.36Å; K613-C615 VanDerWaalsContact C-N 3.29Å; C615-H617 WeakPolarHBondContact CB-CE1 3.39Å; C615-H617 PolarHBondContact O-N 3.28Å; C615-M618 HydrophobicContact CB-CB 4.22Å; C615-M618 HydrophobicContact CB-CG 3.98Å; C615-M618 PolarHBondContact O-N 2.81Å; C615-F635 VanDerWaalsContact SG-C 3.59Å; C615-F635 WeakPolarHBondContact SG-CA 3.45Å
616P86.3Confident74.3Confident51 Ų5178.1 Ų78.133%0.33140%0.397SS..G310 helixtrans-53.4-41.1-180-24.731.6000113.3M618 K619 L638 T644P616-M618 PolarHBondContact O-N 3.08Å; P616-K619 PolarHBondContact O-N 3.41Å; P616-L638 HydrophobicContact CG-CD2 4.32Å; P616-T644 HydrophobicContact CG-CG2 3.99Å
617H81.6Confident72.8Confident37 Ų3779.5 Ų79.517%0.17141%0.405CS..G310 helixtrans-72.5-4.8-179.266.3-86.2000114.6I558 C615 S636 N646I558-H617 HydrophobicContact CD1-CB 4.1Å; I558-H617 WeakPolarHBondContact CD1-CD2 3.37Å; C615-H617 WeakPolarHBondContact CB-CE1 3.39Å; C615-H617 PolarHBondContact O-N 3.28Å; H617-S636 PolarHBondContact CE1-OG 3.09Å; H617-S636 PolarHBondContact ND1-OG 3.18Å; H617-N646 HydrophobicContact CB-CB 4.38Å; H617-N646 WeakPolarHBondContact ND1-CB 3.41Å; H617-N646 VanDerWaalsContact ND1-CG 3.25Å; H617-N646 PolarHBondContact ND1-OD1 2.97Å
618M80.6Confident71.6Confident18 Ų1882.8 Ų82.89%0.08942%0.419CS..G310 helixtrans-106.6-0.2178.6-66.7-64.2165.600113.5G612 C615 P616 V630 L631 A634 I648G612-M618 WeakPolarHBondContact O-CB 3.48Å; G612-M618 WeakPolarHBondContact O-CG 3.02Å; C615-M618 HydrophobicContact CB-CB 4.22Å; C615-M618 HydrophobicContact CB-CG 3.98Å; C615-M618 PolarHBondContact O-N 2.81Å; P616-M618 PolarHBondContact O-N 3.08Å; M618-V630 HydrophobicContact CE-CG1 3.86Å; M618-L631 HydrophobicContact CB-CD2 3.99Å; M618-L631 HydrophobicContact CG-CD2 4.18Å; M618-L631 HydrophobicContact SD-CD2 4.34Å; M618-L631 HydrophobicContact SD-CG 4.43Å; M618-A634 HydrophobicContact CE-CB 3.51Å; M618-A634 HydrophobicContact CG-CB 3.97Å; M618-A634 HydrophobicContact SD-CB 4.36Å; M618-I648 HydrophobicContact CE-CD1 3.88Å; M618-I648 HydrophobicContact CE-CG1 4.1Å
619K69.7Low70.4Confident135 Ų13585 Ų8559%0.58742%0.424SS*.  trans-83.5-7.4-175.2-69.7179.8-177.7174.10114.7P616P616-K619 PolarHBondContact O-N 3.41Å
620E58.1Low69.5Low141 Ų14184.9 Ų84.966%0.65943%0.425SS*.SBendtrans-77.9137.6-179.3-70.9-167.7165.600113.8S622 A623E620-S622 PolarHBondContact O-N 2.82Å; E620-S622 VanDerWaalsContact O-N 3.14Å; E620-A623 PolarHBondContact O-N 2.9Å
621K42.8Very low69Low197 Ų19785.1 Ų85.186%0.85743%0.425SS*.THydrogen-bonded Turntrans-65.4-15-171.6-76.7-179176.7175.80115.4
622S45.1Very low68.6Low95 Ų9587 Ų8766%0.66443%0.43SS*.THydrogen-bonded Turntrans-87.6-31.3179.948.80000113.3E620E620-S622 PolarHBondContact O-N 2.82Å; E620-S622 VanDerWaalsContact O-N 3.14Å
623A43.6Very low68.6Low49 Ų4987.8 Ų87.841%0.40543%0.431SS..G310 helixtrans-77.1-28.7-179.400000113.2E620 K625 Q626E620-A623 PolarHBondContact O-N 2.9Å; A623-K625 PolarHBondContact O-N 2.84Å; A623-Q626 PolarHBondContact O-N 3.1Å
624L43.6Very low68.8Low94 Ų9480.9 Ų80.949%0.49240%0.401SS..G310 helixtrans-68.1-14.8-175.3-78.1158.1000114.9L631L624-L631 HydrophobicContact CD2-CD1 4.39Å
625K47.2Very low69.1Low193 Ų19376.6 Ų76.684%0.83938%0.378SS*.G310 helixtrans-90.2-9.5-179-88.1-172.3176.2-176.40114.8A623A623-K625 PolarHBondContact O-N 2.84Å
626Q47.6Very low69.3Low129 Ų12976.6 Ų76.660%0.60338%0.378SS*.THydrogen-bonded Turntrans-129-12.7-168.2-81.1-171.4-17.900118.9A623A623-Q626 PolarHBondContact O-N 3.1Å
627N62.8Low69.8Low44 Ų4474.2 Ų74.224%0.23536%0.363CS..  trans-150.286.7-179.4-84.2-46.8000114.7E629 V630 L631N627-E629 VanDerWaalsContact C-N 3.25Å; N627-E629 PolarHBondContact O-N 3.47Å; N627-V630 HydrophobicContact CB-CB 3.9Å; N627-V630 HydrophobicContact CB-CG2 3.71Å; N627-V630 PolarHBondContact O-N 3.26Å; N627-L631 PolarHBondContact O-N 2.92Å
628K68.3Low70.4Confident163 Ų16374.7 Ų74.771%0.70937%0.366SS*.Hα-helixtrans-57.9-35.7173.1-173.8-176.8172.5-168.70112.6L631 E632K628-L631 WeakPolarHBondContact O-CB 3.27Å; K628-L631 PolarHBondContact O-N 3.38Å; K628-E632 PolarHBondContact O-N 2.84Å
629E67.1Low70.9Confident76 Ų7674.7 Ų74.736%0.35537%0.365SS..Hα-helixtrans-70.8-35.3-179.6-65.3-173165.800113.1N428 N627 L631 E632 L633N428-E629 PolarHBondContact ND2-OE2 3.08Å; N627-E629 VanDerWaalsContact C-N 3.25Å; N627-E629 PolarHBondContact O-N 3.47Å; E629-L631 VanDerWaalsContact C-N 3.31Å; E629-L631 PolarHBondContact O-N 3.16Å; E629-E632 WeakPolarHBondContact O-CB 3.16Å; E629-E632 PolarHBondContact O-N 3.15Å; E629-L633 PolarHBondContact O-N 3.33Å
630V75.9Confident71.6Confident29 Ų2972 Ų7218%0.17636%0.358CS..Hα-helixtrans-66.6-37177.9172.70000110.7M618 N627 E632 L633 A634 I648M618-V630 HydrophobicContact CE-CG1 3.86Å; N627-V630 HydrophobicContact CB-CB 3.9Å; N627-V630 HydrophobicContact CB-CG2 3.71Å; N627-V630 PolarHBondContact O-N 3.26Å; V630-E632 VanDerWaalsContact C-N 3.26Å; V630-E632 PolarHBondContact O-N 2.81Å; V630-L633 PolarHBondContact O-N 3.37Å; V630-A634 WeakPolarHBondContact O-CB 3.39Å; V630-A634 PolarHBondContact O-N 3.4Å; V630-A634 VanDerWaalsContact O-N 3.08Å; V630-I648 HydrophobicContact CG1-CD1 4.01Å; V630-I648 HydrophobicContact CG1-CG2 4.29Å
631L82.6Confident72.1Confident35 Ų3570.2 Ų70.218%0.18336%0.358CS..Hα-helixtrans-58.9-36.5170.1-83.9148.3000112G612 K613 M618 L624 N627 K628 E629 L633 A634G612-L631 WeakPolarHBondContact CA-O 3.19Å; K613-L631 HydrophobicContact CB-CD2 4.21Å; M618-L631 HydrophobicContact CB-CD2 3.99Å; M618-L631 HydrophobicContact CG-CD2 4.18Å; M618-L631 HydrophobicContact SD-CD2 4.34Å; M618-L631 HydrophobicContact SD-CG 4.43Å; L624-L631 HydrophobicContact CD2-CD1 4.39Å; N627-L631 PolarHBondContact O-N 2.92Å; K628-L631 WeakPolarHBondContact O-CB 3.27Å; K628-L631 PolarHBondContact O-N 3.38Å; E629-L631 VanDerWaalsContact C-N 3.31Å; E629-L631 PolarHBondContact O-N 3.16Å; L631-L633 PolarHBondContact O-N 3.21Å; L631-A634 PolarHBondContact O-N 3.42Å
632E86.2Confident73.7Confident95 Ų9567 Ų6744%0.44435%0.35SS..Hα-helixtrans-75-11.2179.7-68.2-179.1-169.500114.2K628 E629 V630 K652K628-E632 PolarHBondContact O-N 2.84Å; E629-E632 WeakPolarHBondContact O-CB 3.16Å; E629-E632 PolarHBondContact O-N 3.15Å; V630-E632 VanDerWaalsContact C-N 3.26Å; V630-E632 PolarHBondContact O-N 2.81Å; E632-K652 PolarHBondContact O-NZ 3.42Å
633L88.8Confident75.7Confident28 Ų2866.5 Ų66.515%0.14734%0.337CS..Hα-helixtrans-110-5178-61.3179.4000113.1E629 V630 L631 I648 A649 K652 Y655E629-L633 PolarHBondContact O-N 3.33Å; V630-L633 PolarHBondContact O-N 3.37Å; L631-L633 PolarHBondContact O-N 3.21Å; L633-I648 HydrophobicContact CB-CG2 4.45Å; L633-A649 HydrophobicContact CB-CB 4.37Å; L633-A649 PolarHBondContact O-N 3.19Å; L633-K652 HydrophobicContact CD2-CB 4.29Å; L633-K652 HydrophobicContact CD2-CD 4.01Å; L633-Y655 HydrophobicContact CD2-CG 4.46Å; L633-Y655 WeakPolarHBondContact O-CD2 3.3Å
634A90.1Very high77.8Confident0 Ų066.7 Ų66.70%033%0.334CS..EExtended strand (participates in β ladder)trans-84.6134.2-177.500000111.7T611 G612 M618 V630 L631 F647T611-A634 WeakPolarHBondContact CA-O 3.25Å; G612-A634 PolarHBondContact N-O 3.18Å; M618-A634 HydrophobicContact CE-CB 3.51Å; M618-A634 HydrophobicContact CG-CB 3.97Å; M618-A634 HydrophobicContact SD-CB 4.36Å; V630-A634 WeakPolarHBondContact O-CB 3.39Å; V630-A634 PolarHBondContact O-N 3.4Å; V630-A634 VanDerWaalsContact O-N 3.08Å; L631-A634 PolarHBondContact O-N 3.42Å; A634-F647 WeakPolarHBondContact CA-O 3.37Å
635F94.1Very high80.1Confident0 Ų063.1 Ų63.10%032%0.315CS..EExtended strand (participates in β ladder)trans-146.7162.6170.166.6-81.8000111.6F555 V610 T611 C615 F647 A649 Y655 W658 I659 L662F555-F635 HydrophobicContact CE1-CE1 4.21Å; F555-F635 AromaticContact CE1-CZ 4Å; F555-F635 HydrophobicContact CE1-CZ 4Å; F555-F635 HydrophobicContact CZ-CZ 4.27Å; V610-F635 CarbonylContact O-C 3.45Å; V610-F635 WeakPolarHBondContact O-CA 3.32Å; V610-F635 WeakPolarHBondContact O-CB 3.31Å; T611-F635 HydrophobicContact CG2-CB 4Å; C615-F635 VanDerWaalsContact SG-C 3.59Å; C615-F635 WeakPolarHBondContact SG-CA 3.45Å; F635-F647 HydrophobicContact CD1-CB 3.69Å; F635-F647 HydrophobicContact CD2-CB 3.86Å; F635-F647 AromaticContact CD2-CD2 3.86Å; F635-F647 HydrophobicContact CD2-CD2 3.86Å; F635-F647 AromaticContact CD2-CG 3.93Å; F635-F647 HydrophobicContact CD2-CG 3.93Å; F635-F647 HydrophobicContact CE1-CB 3.41Å; F635-F647 VanDerWaalsContact CE1-CB 3.41Å; F635-F647 HydrophobicContact CE1-CD1 4.32Å; F635-F647 HydrophobicContact CE1-CG 4.02Å; F635-F647 HydrophobicContact CE2-CB 3.58Å; F635-F647 AromaticContact CE2-CD1 3.71Å; F635-F647 HydrophobicContact CE2-CD1 3.71Å; F635-F647 AromaticContact CE2-CD2 3.53Å; F635-F647 HydrophobicContact CE2-CD2 3.53Å; F635-F647 HydrophobicContact CE2-CE1 4.17Å; F635-F647 HydrophobicContact CE2-CE2 4.06Å; F635-F647 AromaticContact CE2-CG 3.34Å; F635-F647 HydrophobicContact CE2-CG 3.34Å; F635-F647 HydrophobicContact CE2-CZ 4.34Å; F635-F647 HydrophobicContact CG-CB 3.91Å; F635-F647 HydrophobicContact CG-CG 4.48Å; F635-F647 HydrophobicContact CZ-CB 3.35Å; F635-F647 AromaticContact CZ-CD1 3.48Å; F635-F647 HydrophobicContact CZ-CD1 3.48Å; F635-F647 VanDerWaalsContact CZ-CD1 3.48Å; F635-F647 HydrophobicContact CZ-CD2 4.1Å; F635-F647 HydrophobicContact CZ-CE1 4.21Å; F635-F647 AromaticContact CZ-CG 3.4Å; F635-F647 HydrophobicContact CZ-CG 3.4Å; F635-F647 PolarHBondContact N-O 3.42Å; F635-F647 WeakPolarHBondContact O-CA 3.49Å; F635-F647 WeakPolarHBondContact O-CB 3.43Å; F635-F647 PolarHBondContact O-N 3.07Å; F635-F647 VanDerWaalsContact O-O 3.07Å; F635-A649 HydrophobicContact CE1-CB 4.2Å; F635-Y655 HydrophobicContact CB-CE2 4.23Å; F635-Y655 AromaticContact CD1-CD2 3.87Å; F635-Y655 HydrophobicContact CD1-CD2 3.87Å; F635-Y655 HydrophobicContact CD1-CE2 4.05Å; F635-Y655 HydrophobicContact CE1-CD2 4.46Å; F635-W658 HydrophobicContact CE1-CB 4.25Å; F635-W658 HydrophobicContact CE2-CB 4.17Å; F635-W658 HydrophobicContact CZ-CB 3.62Å; F635-W658 HydrophobicContact CZ-CD2 4.42Å; F635-W658 HydrophobicContact CZ-CE3 4.45Å; F635-W658 HydrophobicContact CZ-CG 4.08Å; F635-I659 HydrophobicContact CB-CD1 3.61Å; F635-I659 HydrophobicContact CD1-CD1 4.38Å; F635-I659 HydrophobicContact CD2-CD1 3.96Å; F635-I659 HydrophobicContact CG-CD1 3.75Å; F635-I659 HydrophobicContact CG-CG1 4.49Å; F635-L662 HydrophobicContact CD2-CD1 4.28Å; F635-L662 HydrophobicContact CE2-CD1 3.89Å
636S94.3Very high82.2Confident0 Ų056 Ų560%029%0.286CS..EExtended strand (participates in β ladder)trans-145.2138.4178.1-49.70000111.4I609 V610 H617 L645 N646I609-S636 WeakPolarHBondContact CA-O 3.42Å; V610-S636 PolarHBondContact N-O 3.09Å; V610-S636 PolarHBondContact O-N 2.99Å; H617-S636 PolarHBondContact CE1-OG 3.09Å; H617-S636 PolarHBondContact ND1-OG 3.18Å; S636-L645 CarbonylContact C-O 3.56Å; S636-L645 VanDerWaalsContact CA-O 3.23Å; S636-L645 WeakPolarHBondContact CA-O 3.39Å; S636-N646 PolarHBondContact OG-OD1 2.9Å
637I95.8Very high84.2Confident0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans-89.9119.7170.7-56.4175.4000106.9L579 I606 I609 Y639 T644 L645 F647 L662L579-I637 HydrophobicContact CD1-CD1 3.66Å; I606-I637 HydrophobicContact CB-CG2 4.31Å; I606-I637 HydrophobicContact CD1-CG2 4.01Å; I606-I637 HydrophobicContact CG1-CG2 3.8Å; I606-I637 HydrophobicContact CG2-CG2 3.71Å; I609-I637 HydrophobicContact CD1-CB 4.06Å; I609-I637 HydrophobicContact CD1-CG1 3.68Å; I609-I637 HydrophobicContact CD1-CG2 4Å; I637-Y639 HydrophobicContact CG2-CD1 4.31Å; I637-T644 CarbonylContact O-C 3.48Å; I637-T644 WeakPolarHBondContact O-CA 3.5Å; I637-L645 HydrophobicContact CB-CB 4.34Å; I637-L645 PolarHBondContact N-O 3.12Å; I637-L645 PolarHBondContact O-N 3.5Å; I637-F647 HydrophobicContact CB-CE2 4.38Å; I637-F647 HydrophobicContact CD1-CE2 3.51Å; I637-F647 HydrophobicContact CD1-CZ 3.64Å; I637-F647 HydrophobicContact CG1-CD2 4.42Å; I637-F647 HydrophobicContact CG1-CE2 3.6Å; I637-F647 HydrophobicContact CG1-CZ 4.25Å; I637-L662 HydrophobicContact CD1-CD1 4.09Å; I637-L662 HydrophobicContact CD1-CD2 4.05Å; I637-L662 HydrophobicContact CG1-CD1 4.09Å
638L93.8Very high85.4Confident47 Ų4749.5 Ų49.525%0.24626%0.255CS..EExtended strand (participates in β ladder)trans-95.3123.8171.6-51.3-178.4000108K607 A608 V610 P616 T644K607-L638 PolarHBondContact N-O 3.41Å; A608-L638 HydrophobicContact CB-CD1 4.27Å; A608-L638 PolarHBondContact N-O 2.92Å; A608-L638 PolarHBondContact O-N 2.71Å; V610-L638 HydrophobicContact CG1-CD1 3.79Å; V610-L638 HydrophobicContact CG1-CG 4.42Å; V610-L638 HydrophobicContact CG2-CD1 4.38Å; V610-L638 HydrophobicContact CG2-CD2 4.26Å; V610-L638 HydrophobicContact CG2-CG 4.29Å; P616-L638 HydrophobicContact CG-CD2 4.32Å; L638-T644 HydrophobicContact CD2-CG2 3.41Å; L638-T644 VanDerWaalsContact CD2-CG2 3.41Å
639Y92.5Very high86.2Confident18 Ų1841.8 Ų41.87%0.07122%0.222CC..EExtended strand (participates in β ladder)trans-140.5161.6-175.665-85.2000112.8I601 D605 I637 D642 E643 L645I601-Y639 HydrophobicContact CD1-CD1 3.9Å; I601-Y639 HydrophobicContact CD1-CE1 3.56Å; I601-Y639 HydrophobicContact CD1-CE2 4.39Å; I601-Y639 HydrophobicContact CD1-CG 4.44Å; I601-Y639 HydrophobicContact CG1-CD1 4.29Å; I601-Y639 HydrophobicContact CG1-CD2 4.19Å; I601-Y639 HydrophobicContact CG1-CE1 4.05Å; I601-Y639 HydrophobicContact CG1-CE2 3.96Å; I601-Y639 HydrophobicContact CG1-CG 4.36Å; I601-Y639 HydrophobicContact CG2-CD1 4.45Å; I601-Y639 HydrophobicContact CG2-CD2 4.23Å; I601-Y639 HydrophobicContact CG2-CG 4.04Å; D605-Y639 CarbonylContact O-C 3.54Å; D605-Y639 WeakPolarHBondContact O-CA 3.44Å; D605-Y639 VanDerWaalsContact O-CB 3.29Å; D605-Y639 WeakPolarHBondContact O-CB 3.46Å; I637-Y639 HydrophobicContact CG2-CD1 4.31Å; Y639-D642 CarbonylContact O-C 3.45Å; Y639-D642 WeakPolarHBondContact O-CA 3.45Å; Y639-D642 PolarHBondContact O-N 2.91Å; Y639-E643 HydrophobicContact CD1-CB 4.4Å; Y639-E643 HydrophobicContact CD2-CB 4.08Å; Y639-E643 HydrophobicContact CE1-CB 3.86Å; Y639-E643 HydrophobicContact CE2-CB 3.48Å; Y639-E643 VanDerWaalsContact CE2-CB 3.48Å; Y639-E643 HydrophobicContact CE2-CG 4.26Å; Y639-E643 WeakPolarHBondContact CE2-OE2 3.5Å; Y639-E643 HydrophobicContact CG-CB 4.5Å; Y639-E643 PolarHBondContact N-O 3.46Å; Y639-E643 PolarHBondContact O-N 3.31Å; Y639-E643 WeakPolarHBondContact OH-CB 3.43Å; Y639-E643 PolarHBondContact OH-OE2 2.96Å; Y639-L645 HydrophobicContact CE1-CB 3.98Å
640D83.1Confident86.6Confident80 Ų8040.9 Ų40.943%0.42822%0.222SC..THydrogen-bonded Turntrans-71.2140.1-179.2-92.6-49.2000113.3D605 K607D605-D640 HydrophobicContact CB-CB 4.38Å; D605-D640 PolarHBondContact O-N 3.12Å; K607-D640 WeakPolarHBondContact CE-OD1 3.43Å; K607-D640 WeakPolarHBondContact CE-OD2 3.4Å; K607-D640 IonicContact NZ-OD1 3.82Å; K607-D640 PolarHBondContact NZ-OD1 3.33Å; K607-D640 IonicContact NZ-OD2 2.69Å
641P68Low86.8Confident102 Ų10242.9 Ų42.966%0.66223%0.232SC*.THydrogen-bonded Turncis-9584.5-0.235.7-29000112E643P641-E643 VanDerWaalsContact C-N 3.33Å; P641-E643 PolarHBondContact O-N 2.91Å
642D78.3Confident86.9Confident130 Ų13045.5 Ų45.570%0.69524%0.242SC*.THydrogen-bonded Turntrans63.731179-60.1-35.9000115.2K607 Y639K607-D642 IonicContact NZ-OD1 3.79Å; K607-D642 PolarHBondContact NZ-OD1 3.06Å; Y639-D642 CarbonylContact O-C 3.45Å; Y639-D642 WeakPolarHBondContact O-CA 3.45Å; Y639-D642 PolarHBondContact O-N 2.91Å
643E85.3Confident86.9Confident84 Ų8445.7 Ų45.739%0.39324%0.239SC..EExtended strand (participates in β ladder)trans-86.1161.1169.9-71.1-174.5-169.600111.7Y639 P641Y639-E643 HydrophobicContact CD1-CB 4.4Å; Y639-E643 HydrophobicContact CD2-CB 4.08Å; Y639-E643 HydrophobicContact CE1-CB 3.86Å; Y639-E643 HydrophobicContact CE2-CB 3.48Å; Y639-E643 VanDerWaalsContact CE2-CB 3.48Å; Y639-E643 HydrophobicContact CE2-CG 4.26Å; Y639-E643 WeakPolarHBondContact CE2-OE2 3.5Å; Y639-E643 HydrophobicContact CG-CB 4.5Å; Y639-E643 PolarHBondContact N-O 3.46Å; Y639-E643 PolarHBondContact O-N 3.31Å; Y639-E643 WeakPolarHBondContact OH-CB 3.43Å; Y639-E643 PolarHBondContact OH-OE2 2.96Å; P641-E643 VanDerWaalsContact C-N 3.33Å; P641-E643 PolarHBondContact O-N 2.91Å
644T88.9Confident86.9Confident54 Ų5445.2 Ų45.233%0.33124%0.237SC..EExtended strand (participates in β ladder)trans-135.2125.7-177.971.90000110.7P616 I637 L638 N646P616-T644 HydrophobicContact CG-CG2 3.99Å; I637-T644 CarbonylContact O-C 3.48Å; I637-T644 WeakPolarHBondContact O-CA 3.5Å; L638-T644 HydrophobicContact CD2-CG2 3.41Å; L638-T644 VanDerWaalsContact CD2-CG2 3.41Å; T644-N646 PolarHBondContact OG1-ND2 3.41Å
645L91.4Very high87.1Confident18 Ų1846.6 Ų46.69%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-99.5113.9168.8-174.861.3000108.5W568 Y581 I601 S636 I637 Y639 F647W568-L645 HydrophobicContact CH2-CD1 3.66Å; W568-L645 HydrophobicContact CH2-CD2 3.81Å; W568-L645 HydrophobicContact CH2-CG 3.71Å; W568-L645 HydrophobicContact CZ2-CD1 4.37Å; W568-L645 HydrophobicContact CZ3-CD1 3.94Å; W568-L645 HydrophobicContact CZ3-CD2 3.95Å; W568-L645 HydrophobicContact CZ3-CG 4.22Å; Y581-L645 HydrophobicContact CD1-CD2 4.03Å; Y581-L645 HydrophobicContact CD2-CD1 4.02Å; Y581-L645 HydrophobicContact CD2-CD2 4.35Å; Y581-L645 HydrophobicContact CE1-CD2 4.18Å; Y581-L645 HydrophobicContact CE2-CD1 3.76Å; Y581-L645 HydrophobicContact CE2-CD2 4.48Å; Y581-L645 HydrophobicContact CG-CD2 4.14Å; I601-L645 HydrophobicContact CD1-CB 4Å; I601-L645 HydrophobicContact CD1-CD2 3.56Å; I601-L645 HydrophobicContact CD1-CG 4.38Å; S636-L645 CarbonylContact C-O 3.56Å; S636-L645 VanDerWaalsContact CA-O 3.23Å; S636-L645 WeakPolarHBondContact CA-O 3.39Å; I637-L645 HydrophobicContact CB-CB 4.34Å; I637-L645 PolarHBondContact N-O 3.12Å; I637-L645 PolarHBondContact O-N 3.5Å; Y639-L645 HydrophobicContact CE1-CB 3.98Å; L645-F647 HydrophobicContact CB-CE2 3.98Å; L645-F647 HydrophobicContact CD2-CE2 3.69Å; L645-F647 HydrophobicContact CD2-CZ 3.5Å; L645-F647 VanDerWaalsContact CD2-CZ 3.5Å; L645-F647 HydrophobicContact CG-CD2 4.32Å; L645-F647 HydrophobicContact CG-CE2 3.49Å; L645-F647 VanDerWaalsContact CG-CE2 3.49Å; L645-F647 HydrophobicContact CG-CZ 3.79Å; L645-F647 VanDerWaalsContact O-CD2 3.28Å; L645-F647 WeakPolarHBondContact O-CD2 3.27Å; L645-F647 WeakPolarHBondContact O-CE2 3.33Å
646N91Very high87.1Confident44 Ų4447 Ų4724%0.23524%0.244CC..EExtended strand (participates in β ladder)trans-96.2133-172.2-65.5-60.8000110.8I558 W568 H617 S636 T644I558-N646 HydrophobicContact CD1-CB 3.9Å; W568-N646 WeakPolarHBondContact CZ2-O 3.27Å; H617-N646 HydrophobicContact CB-CB 4.38Å; H617-N646 WeakPolarHBondContact ND1-CB 3.41Å; H617-N646 VanDerWaalsContact ND1-CG 3.25Å; H617-N646 PolarHBondContact ND1-OD1 2.97Å; S636-N646 PolarHBondContact OG-OD1 2.9Å; T644-N646 PolarHBondContact OG1-ND2 3.41Å
647F91.1Very high87.1Confident0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-126142.4-177.9-62.8-106000110.9F555 W568 C570 A634 F635 I637 L645 W658F555-F647 HydrophobicContact CD1-CB 4.44Å; F555-F647 AromaticContact CD1-CD1 3.79Å; F555-F647 HydrophobicContact CD1-CD1 3.79Å; F555-F647 AromaticContact CD2-CD1 3.93Å; F555-F647 HydrophobicContact CD2-CD1 3.93Å; F555-F647 HydrophobicContact CD2-CE1 4.11Å; F555-F647 AromaticContact CE1-CD1 3.64Å; F555-F647 HydrophobicContact CE1-CD1 3.64Å; F555-F647 HydrophobicContact CE1-CE1 4.4Å; F555-F647 AromaticContact CE2-CD1 3.79Å; F555-F647 HydrophobicContact CE2-CD1 3.79Å; F555-F647 AromaticContact CE2-CE1 3.78Å; F555-F647 HydrophobicContact CE2-CE1 3.78Å; F555-F647 AromaticContact CG-CD1 3.92Å; F555-F647 HydrophobicContact CG-CD1 3.92Å; F555-F647 AromaticContact CZ-CD1 3.62Å; F555-F647 HydrophobicContact CZ-CD1 3.62Å; F555-F647 AromaticContact CZ-CE1 3.91Å; F555-F647 HydrophobicContact CZ-CE1 3.91Å; W568-F647 AromaticContact CH2-CD1 3.52Å; W568-F647 HydrophobicContact CH2-CD1 3.52Å; W568-F647 HydrophobicContact CH2-CD2 4.36Å; W568-F647 AromaticContact CH2-CE1 3.19Å; W568-F647 HydrophobicContact CH2-CE1 3.19Å; W568-F647 HydrophobicContact CH2-CE2 4.05Å; W568-F647 HydrophobicContact CH2-CG 4.13Å; W568-F647 AromaticContact CH2-CZ 3.49Å; W568-F647 HydrophobicContact CH2-CZ 3.49Å; W568-F647 VanDerWaalsContact CH2-CZ 3.49Å; W568-F647 AromaticContact CZ2-CD1 3.6Å; W568-F647 HydrophobicContact CZ2-CD1 3.6Å; W568-F647 AromaticContact CZ2-CE1 3.8Å; W568-F647 HydrophobicContact CZ2-CE1 3.8Å; W568-F647 HydrophobicContact CZ2-CG 4.03Å; W568-F647 HydrophobicContact CZ2-CZ 4.34Å; W568-F647 HydrophobicContact CZ3-CE1 4.04Å; W568-F647 HydrophobicContact CZ3-CZ 4.3Å; C570-F647 HydrophobicContact CB-CE1 4.19Å; A634-F647 WeakPolarHBondContact CA-O 3.37Å; F635-F647 HydrophobicContact CD1-CB 3.69Å; F635-F647 HydrophobicContact CD2-CB 3.86Å; F635-F647 AromaticContact CD2-CD2 3.86Å; F635-F647 HydrophobicContact CD2-CD2 3.86Å; F635-F647 AromaticContact CD2-CG 3.93Å; F635-F647 HydrophobicContact CD2-CG 3.93Å; F635-F647 HydrophobicContact CE1-CB 3.41Å; F635-F647 VanDerWaalsContact CE1-CB 3.41Å; F635-F647 HydrophobicContact CE1-CD1 4.32Å; F635-F647 HydrophobicContact CE1-CG 4.02Å; F635-F647 HydrophobicContact CE2-CB 3.58Å; F635-F647 AromaticContact CE2-CD1 3.71Å; F635-F647 HydrophobicContact CE2-CD1 3.71Å; F635-F647 AromaticContact CE2-CD2 3.53Å; F635-F647 HydrophobicContact CE2-CD2 3.53Å; F635-F647 HydrophobicContact CE2-CE1 4.17Å; F635-F647 HydrophobicContact CE2-CE2 4.06Å; F635-F647 AromaticContact CE2-CG 3.34Å; F635-F647 HydrophobicContact CE2-CG 3.34Å; F635-F647 HydrophobicContact CE2-CZ 4.34Å; F635-F647 HydrophobicContact CG-CB 3.91Å; F635-F647 HydrophobicContact CG-CG 4.48Å; F635-F647 HydrophobicContact CZ-CB 3.35Å; F635-F647 AromaticContact CZ-CD1 3.48Å; F635-F647 HydrophobicContact CZ-CD1 3.48Å; F635-F647 VanDerWaalsContact CZ-CD1 3.48Å; F635-F647 HydrophobicContact CZ-CD2 4.1Å; F635-F647 HydrophobicContact CZ-CE1 4.21Å; F635-F647 AromaticContact CZ-CG 3.4Å; F635-F647 HydrophobicContact CZ-CG 3.4Å; F635-F647 PolarHBondContact N-O 3.42Å; F635-F647 WeakPolarHBondContact O-CA 3.49Å; F635-F647 WeakPolarHBondContact O-CB 3.43Å; F635-F647 PolarHBondContact O-N 3.07Å; F635-F647 VanDerWaalsContact O-O 3.07Å; I637-F647 HydrophobicContact CB-CE2 4.38Å; I637-F647 HydrophobicContact CD1-CE2 3.51Å; I637-F647 HydrophobicContact CD1-CZ 3.64Å; I637-F647 HydrophobicContact CG1-CD2 4.42Å; I637-F647 HydrophobicContact CG1-CE2 3.6Å; I637-F647 HydrophobicContact CG1-CZ 4.25Å; L645-F647 HydrophobicContact CB-CE2 3.98Å; L645-F647 HydrophobicContact CD2-CE2 3.69Å; L645-F647 HydrophobicContact CD2-CZ 3.5Å; L645-F647 VanDerWaalsContact CD2-CZ 3.5Å; L645-F647 HydrophobicContact CG-CD2 4.32Å; L645-F647 HydrophobicContact CG-CE2 3.49Å; L645-F647 VanDerWaalsContact CG-CE2 3.49Å; L645-F647 HydrophobicContact CG-CZ 3.79Å; L645-F647 VanDerWaalsContact O-CD2 3.28Å; L645-F647 WeakPolarHBondContact O-CD2 3.27Å; L645-F647 WeakPolarHBondContact O-CE2 3.33Å; F647-W658 HydrophobicContact CE1-CE3 4.33Å; F647-W658 HydrophobicContact CE1-CZ3 4.19Å
648I86.8Confident87.1Confident36 Ų3647 Ų4719%0.18524%0.244CC..EExtended strand (participates in β ladder)trans-123.1111.8159.1-59.3177.6000105.9I558 M618 V630 L633I558-I648 HydrophobicContact CD1-CD1 4.15Å; I558-I648 HydrophobicContact CD1-CG1 4.21Å; I558-I648 HydrophobicContact CG1-CD1 3.83Å; I558-I648 HydrophobicContact CG1-CG1 4.23Å; M618-I648 HydrophobicContact CE-CD1 3.88Å; M618-I648 HydrophobicContact CE-CG1 4.1Å; V630-I648 HydrophobicContact CG1-CD1 4.01Å; V630-I648 HydrophobicContact CG1-CG2 4.29Å; L633-I648 HydrophobicContact CB-CG2 4.45Å
649A86.3Confident87.3Confident2 Ų245.6 Ų45.62%0.01724%0.237CC..  trans-63.9143.617900000110.7L633 F635 N651 Y655L633-A649 HydrophobicContact CB-CB 4.37Å; L633-A649 PolarHBondContact O-N 3.19Å; F635-A649 HydrophobicContact CE1-CB 4.2Å; A649-N651 PolarHBondContact O-N 3.42Å; A649-Y655 HydrophobicContact CB-CD2 4.22Å; A649-Y655 HydrophobicContact CB-CG 4.41Å
650P75.3Confident87.5Confident56 Ų5644.8 Ų44.836%0.36423%0.234SC..SBendtrans-68.4-22.5-179.828.2-36.2000113E654P650-E654 HydrophobicContact CG-CB 3.8Å; P650-E654 HydrophobicContact CG-CG 3.81Å
651N79.6Confident88.1Confident72 Ų7241 Ų4139%0.38521%0.213SC..SBendtrans-161.3173.817659.160.2000110.3A649 Y653 E654 Y655A649-N651 PolarHBondContact O-N 3.42Å; N651-Y653 VanDerWaalsContact C-N 3.31Å; N651-Y653 PolarHBondContact O-N 3Å; N651-Y653 WeakPolarHBondContact OD1-CA 3.45Å; N651-Y653 WeakPolarHBondContact OD1-CB 3.49Å; N651-Y653 PolarHBondContact OD1-N 3.31Å; N651-E654 PolarHBondContact O-N 2.85Å; N651-E654 PolarHBondContact OD1-N 3.21Å; N651-Y655 PolarHBondContact O-N 3.36Å
652K85Confident89.5Confident89 Ų8936.1 Ų36.139%0.38718%0.182SC..Hα-helixtrans-64.6-32.9-178.2-165.166.4176.3-171.10113.5E632 L633 Y655 C656E632-K652 PolarHBondContact O-NZ 3.42Å; L633-K652 HydrophobicContact CD2-CB 4.29Å; L633-K652 HydrophobicContact CD2-CD 4.01Å; K652-Y655 HydrophobicContact CD-CD1 4.31Å; K652-Y655 WeakPolarHBondContact O-CB 3.38Å; K652-Y655 PolarHBondContact O-N 3.05Å; K652-C656 PolarHBondContact O-N 3.18Å; K652-C656 PolarHBondContact O-SG 3.38Å
653Y86.1Confident90.3Very high99 Ų9930.8 Ų30.839%0.38816%0.155SC..Hα-helixtrans-64.7-52.3177.8171.6-93.1000110.7N651 Y655 C656 I657 L674N651-Y653 VanDerWaalsContact C-N 3.31Å; N651-Y653 PolarHBondContact O-N 3Å; N651-Y653 WeakPolarHBondContact OD1-CA 3.45Å; N651-Y653 WeakPolarHBondContact OD1-CB 3.49Å; N651-Y653 PolarHBondContact OD1-N 3.31Å; Y653-Y655 VanDerWaalsContact C-N 3.29Å; Y653-Y655 PolarHBondContact O-N 3.38Å; Y653-C656 PolarHBondContact O-N 3.18Å; Y653-C656 VanDerWaalsContact O-N 3.12Å; Y653-I657 HydrophobicContact CD1-CG1 4.1Å; Y653-I657 HydrophobicContact CE1-CD1 4.3Å; Y653-I657 HydrophobicContact CE1-CG1 3.7Å; Y653-I657 HydrophobicContact CE2-CD1 4.18Å; Y653-I657 HydrophobicContact CE2-CG1 4.17Å; Y653-I657 WeakPolarHBondContact O-CG1 3.45Å; Y653-I657 PolarHBondContact O-N 2.92Å; Y653-L674 HydrophobicContact CD2-CD1 3.97Å; Y653-L674 HydrophobicContact CD2-CD2 3.65Å; Y653-L674 HydrophobicContact CD2-CG 4.47Å; Y653-L674 HydrophobicContact CE2-CD1 4.05Å; Y653-L674 HydrophobicContact CE2-CD2 3.64Å; Y653-L674 HydrophobicContact CE2-CG 4.5Å
654E89.1Confident90.7Very high19 Ų1927.2 Ų27.29%0.08914%0.14CC..Hα-helixtrans-61.9-38177-74.5-64.4139.300111.7R548 S553 P650 N651 C656 I657 W658R548-E654 IonicContact NH2-OE1 2.69Å; R548-E654 PolarHBondContact NH2-OE1 3.31Å; R548-E654 VanDerWaalsContact NH2-OE1 3.09Å; S553-E654 WeakPolarHBondContact CB-OE2 3.42Å; S553-E654 PolarHBondContact OG-OE2 2.87Å; P650-E654 HydrophobicContact CG-CB 3.8Å; P650-E654 HydrophobicContact CG-CG 3.81Å; N651-E654 PolarHBondContact O-N 2.85Å; N651-E654 PolarHBondContact OD1-N 3.21Å; E654-C656 PolarHBondContact O-N 2.78Å; E654-I657 PolarHBondContact O-N 2.9Å; E654-W658 WeakPolarHBondContact O-CB 3.49Å; E654-W658 VanDerWaalsContact O-CD1 3.27Å; E654-W658 PolarHBondContact O-N 3.35Å
655Y93.6Very high91Very high29 Ų2926 Ų2611%0.11413%0.131CC..Hα-helixtrans-55.4-51.3171.6177.5-95.3000111.8T611 L633 F635 A649 N651 K652 Y653 W658 I659T611-Y655 WeakPolarHBondContact CB-OH 3.46Å; T611-Y655 WeakPolarHBondContact CG2-OH 3.44Å; L633-Y655 HydrophobicContact CD2-CG 4.46Å; L633-Y655 WeakPolarHBondContact O-CD2 3.3Å; F635-Y655 HydrophobicContact CB-CE2 4.23Å; F635-Y655 AromaticContact CD1-CD2 3.87Å; F635-Y655 HydrophobicContact CD1-CD2 3.87Å; F635-Y655 HydrophobicContact CD1-CE2 4.05Å; F635-Y655 HydrophobicContact CE1-CD2 4.46Å; A649-Y655 HydrophobicContact CB-CD2 4.22Å; A649-Y655 HydrophobicContact CB-CG 4.41Å; N651-Y655 PolarHBondContact O-N 3.36Å; K652-Y655 HydrophobicContact CD-CD1 4.31Å; K652-Y655 WeakPolarHBondContact O-CB 3.38Å; K652-Y655 PolarHBondContact O-N 3.05Å; Y653-Y655 VanDerWaalsContact C-N 3.29Å; Y653-Y655 PolarHBondContact O-N 3.38Å; Y655-W658 PolarHBondContact O-N 2.85Å; Y655-I659 HydrophobicContact CD1-CG1 4.37Å; Y655-I659 HydrophobicContact CD2-CG1 4.27Å; Y655-I659 HydrophobicContact CE1-CG1 4.02Å; Y655-I659 HydrophobicContact CE2-CD1 4.41Å; Y655-I659 HydrophobicContact CE2-CG1 3.92Å; Y655-I659 HydrophobicContact CG-CG1 4.49Å; Y655-I659 WeakPolarHBondContact O-CB 3.38Å; Y655-I659 WeakPolarHBondContact O-CG1 3.4Å; Y655-I659 PolarHBondContact O-N 2.81Å
656C94.2Very high91.1Very high7 Ų727.5 Ų27.55%0.04714%0.139CC..Hα-helixtrans-63.5-43.3179.5-69.20000112.1K652 Y653 E654 W658 D660 S672 L674K652-C656 PolarHBondContact O-N 3.18Å; K652-C656 PolarHBondContact O-SG 3.38Å; Y653-C656 PolarHBondContact O-N 3.18Å; Y653-C656 VanDerWaalsContact O-N 3.12Å; E654-C656 PolarHBondContact O-N 2.78Å; C656-W658 VanDerWaalsContact C-N 3.34Å; C656-W658 PolarHBondContact O-N 2.96Å; C656-D660 VanDerWaalsContact O-CB 3.26Å; C656-D660 WeakPolarHBondContact O-CB 3.28Å; C656-D660 VanDerWaalsContact O-CG 3.28Å; C656-D660 PolarHBondContact O-N 3.19Å; C656-S672 WeakPolarHBondContact CB-OG 3.49Å; C656-L674 HydrophobicContact CB-CB 3.63Å; C656-L674 HydrophobicContact CB-CD2 3.92Å; C656-L674 HydrophobicContact CB-CG 4.46Å
657I94.6Very high91.2Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-56.2-49.2176.3-70.3-64.5000110.8R548 Y653 E654 G661 L674R548-I657 HydrophobicContact CB-CG2 3.66Å; R548-I657 HydrophobicContact CG-CD1 4.49Å; R548-I657 HydrophobicContact CG-CG2 4.32Å; Y653-I657 HydrophobicContact CD1-CG1 4.1Å; Y653-I657 HydrophobicContact CE1-CD1 4.3Å; Y653-I657 HydrophobicContact CE1-CG1 3.7Å; Y653-I657 HydrophobicContact CE2-CD1 4.18Å; Y653-I657 HydrophobicContact CE2-CG1 4.17Å; Y653-I657 WeakPolarHBondContact O-CG1 3.45Å; Y653-I657 PolarHBondContact O-N 2.92Å; E654-I657 PolarHBondContact O-N 2.9Å; I657-G661 PolarHBondContact O-N 3.2Å; I657-L674 HydrophobicContact CD1-CD2 3.6Å; I657-L674 HydrophobicContact CG1-CD2 3.9Å
658W96.2Very high91.3Very high0 Ų034.2 Ų34.20%019%0.187CC..Hα-helixtrans-70.9-44.6-176.8-84.682.4000112.9L549 S553 F555 C570 L579 F635 F647 E654 Y655 C656 G661 L662L549-W658 HydrophobicContact CD2-CD2 3.47Å; L549-W658 VanDerWaalsContact CD2-CD2 3.47Å; L549-W658 HydrophobicContact CD2-CE3 3.48Å; L549-W658 VanDerWaalsContact CD2-CE3 3.48Å; L549-W658 HydrophobicContact CD2-CG 4.03Å; L549-W658 HydrophobicContact CD2-CH2 4.06Å; L549-W658 HydrophobicContact CD2-CZ2 4.05Å; L549-W658 HydrophobicContact CD2-CZ3 3.79Å; S553-W658 VanDerWaalsContact CB-NE1 3.29Å; S553-W658 PolarHBondContact OG-NE1 3.44Å; F555-W658 HydrophobicContact CE2-CD2 4.28Å; F555-W658 AromaticContact CE2-CE2 3.76Å; F555-W658 HydrophobicContact CE2-CH2 4.12Å; F555-W658 AromaticContact CE2-CZ2 3.67Å; F555-W658 HydrophobicContact CE2-CZ2 3.67Å; F555-W658 AromaticContact CZ-CD1 3.79Å; F555-W658 AromaticContact CZ-CD2 3.61Å; F555-W658 HydrophobicContact CZ-CD2 3.61Å; F555-W658 AromaticContact CZ-CE2 3.38Å; F555-W658 HydrophobicContact CZ-CE3 4.22Å; F555-W658 AromaticContact CZ-CG 3.9Å; F555-W658 HydrophobicContact CZ-CG 3.9Å; F555-W658 HydrophobicContact CZ-CH2 4.4Å; F555-W658 AromaticContact CZ-CZ2 3.82Å; F555-W658 HydrophobicContact CZ-CZ2 3.82Å; F555-W658 AromaticContact CZ-NE1 3.49Å; C570-W658 HydrophobicContact CB-CH2 3.6Å; C570-W658 HydrophobicContact CB-CZ2 4.27Å; C570-W658 HydrophobicContact CB-CZ3 4.26Å; C570-W658 VanDerWaalsContact O-CH2 3.32Å; C570-W658 WeakPolarHBondContact O-CH2 3.42Å; C570-W658 VanDerWaalsContact O-CZ2 3.26Å; C570-W658 WeakPolarHBondContact O-CZ2 3.4Å; L579-W658 HydrophobicContact CD2-CZ3 4.29Å; F635-W658 HydrophobicContact CE1-CB 4.25Å; F635-W658 HydrophobicContact CE2-CB 4.17Å; F635-W658 HydrophobicContact CZ-CB 3.62Å; F635-W658 HydrophobicContact CZ-CD2 4.42Å; F635-W658 HydrophobicContact CZ-CE3 4.45Å; F635-W658 HydrophobicContact CZ-CG 4.08Å; F647-W658 HydrophobicContact CE1-CE3 4.33Å; F647-W658 HydrophobicContact CE1-CZ3 4.19Å; E654-W658 WeakPolarHBondContact O-CB 3.49Å; E654-W658 VanDerWaalsContact O-CD1 3.27Å; E654-W658 PolarHBondContact O-N 3.35Å; Y655-W658 PolarHBondContact O-N 2.85Å; C656-W658 VanDerWaalsContact C-N 3.34Å; C656-W658 PolarHBondContact O-N 2.96Å; W658-G661 PolarHBondContact O-N 2.92Å; W658-L662 HydrophobicContact CE3-CD1 4.28Å; W658-L662 HydrophobicContact CE3-CG 4.45Å; W658-L662 VanDerWaalsContact O-CB 3.26Å; W658-L662 WeakPolarHBondContact O-CB 3.43Å; W658-L662 WeakPolarHBondContact O-CG 3.4Å; W658-L662 PolarHBondContact O-N 3.44Å
659I96.5Very high91.5Very high19 Ų1939.6 Ų39.610%0.09722%0.216CC..Hα-helixtrans-62.9-45.4177.9-70.3-60.6000111.6I609 T611 F635 Y655 S663I609-I659 HydrophobicContact CG2-CD1 3.8Å; T611-I659 HydrophobicContact CG2-CD1 3.63Å; T611-I659 HydrophobicContact CG2-CG1 4.45Å; F635-I659 HydrophobicContact CB-CD1 3.61Å; F635-I659 HydrophobicContact CD1-CD1 4.38Å; F635-I659 HydrophobicContact CD2-CD1 3.96Å; F635-I659 HydrophobicContact CG-CD1 3.75Å; F635-I659 HydrophobicContact CG-CG1 4.49Å; Y655-I659 HydrophobicContact CD1-CG1 4.37Å; Y655-I659 HydrophobicContact CD2-CG1 4.27Å; Y655-I659 HydrophobicContact CE1-CG1 4.02Å; Y655-I659 HydrophobicContact CE2-CD1 4.41Å; Y655-I659 HydrophobicContact CE2-CG1 3.92Å; Y655-I659 HydrophobicContact CG-CG1 4.49Å; Y655-I659 WeakPolarHBondContact O-CB 3.38Å; Y655-I659 WeakPolarHBondContact O-CG1 3.4Å; Y655-I659 PolarHBondContact O-N 2.81Å; I659-S663 VanDerWaalsContact O-CB 3.28Å; I659-S663 WeakPolarHBondContact O-CB 3.39Å; I659-S663 PolarHBondContact O-N 3.08Å; I659-S663 PolarHBondContact O-OG 2.92Å
660D96.9Very high91.9Very high0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-69-43.3178.8-71-23.3000111.1R545 C656 L662 S663 A664 M670 S671 S672 T675R545-D660 HydrophobicContact CG-CB 4.22Å; R545-D660 IonicContact NE-OD2 2.68Å; C656-D660 VanDerWaalsContact O-CB 3.26Å; C656-D660 WeakPolarHBondContact O-CB 3.28Å; C656-D660 VanDerWaalsContact O-CG 3.28Å; C656-D660 PolarHBondContact O-N 3.19Å; D660-L662 PolarHBondContact O-N 3.32Å; D660-S663 PolarHBondContact O-N 2.89Å; D660-A664 WeakPolarHBondContact O-CB 3.49Å; D660-A664 PolarHBondContact O-N 3.34Å; D660-M670 HydrophobicContact CB-CB 3.93Å; D660-M670 HydrophobicContact CB-CG 3.82Å; D660-M670 HydrophobicContact CB-SD 4.07Å; D660-M670 WeakPolarHBondContact O-CG 3.28Å; D660-S671 PolarHBondContact OD1-N 3.41Å; D660-S672 VanDerWaalsContact CG-OG 3.32Å; D660-S672 VanDerWaalsContact OD1-CB 3.3Å; D660-S672 WeakPolarHBondContact OD1-CB 3.39Å; D660-S672 PolarHBondContact OD1-N 2.98Å; D660-S672 VanDerWaalsContact OD1-N 3.11Å; D660-S672 PolarHBondContact OD1-OG 3.08Å; D660-S672 WeakPolarHBondContact OD2-CB 3.44Å; D660-S672 PolarHBondContact OD2-OG 3.29Å; D660-T675 VanDerWaalsContact CG-OG1 3.27Å; D660-T675 WeakPolarHBondContact OD2-CB 3.49Å; D660-T675 PolarHBondContact OD2-OG1 3.06Å
661G96.6Very high92.6Very high0 Ų042.2 Ų42.20%023%0.233CC..Hα-helixtrans-60-45.317700000112.5L549 I657 W658 A664 L665L549-G661 VanDerWaalsContact CD1-C 3.43Å; I657-G661 PolarHBondContact O-N 3.2Å; W658-G661 PolarHBondContact O-N 2.92Å; G661-A664 PolarHBondContact O-N 3.45Å; G661-L665 VanDerWaalsContact O-CB 3.23Å; G661-L665 WeakPolarHBondContact O-CB 3.47Å; G661-L665 PolarHBondContact O-N 2.91Å
662L96.6Very high93.2Very high1 Ų139.5 Ų39.51%0.00522%0.219CC..Hα-helixtrans-67.1-38.2176.3-70.3169.8000111.5L549 L579 I609 F635 I637 W658 D660 L665 L666L549-L662 HydrophobicContact CD1-CD2 4.5Å; L579-L662 HydrophobicContact CD1-CD2 4.05Å; I609-L662 HydrophobicContact CD1-CB 4.31Å; I609-L662 HydrophobicContact CD1-CD1 4.07Å; I609-L662 HydrophobicContact CG1-CB 4.12Å; I609-L662 HydrophobicContact CG1-CD1 4.45Å; F635-L662 HydrophobicContact CD2-CD1 4.28Å; F635-L662 HydrophobicContact CE2-CD1 3.89Å; I637-L662 HydrophobicContact CD1-CD1 4.09Å; I637-L662 HydrophobicContact CD1-CD2 4.05Å; I637-L662 HydrophobicContact CG1-CD1 4.09Å; W658-L662 HydrophobicContact CE3-CD1 4.28Å; W658-L662 HydrophobicContact CE3-CG 4.45Å; W658-L662 VanDerWaalsContact O-CB 3.26Å; W658-L662 WeakPolarHBondContact O-CB 3.43Å; W658-L662 WeakPolarHBondContact O-CG 3.4Å; W658-L662 PolarHBondContact O-N 3.44Å; D660-L662 PolarHBondContact O-N 3.32Å; L662-L665 HydrophobicContact CD2-CD2 4.42Å; L662-L665 PolarHBondContact O-N 3.4Å; L662-L666 VanDerWaalsContact O-CG 3.28Å; L662-L666 WeakPolarHBondContact O-CG 3.39Å; L662-L666 PolarHBondContact O-N 3.29Å
663S95.3Very high93.3Very high18 Ų1842.4 Ų42.413%0.12623%0.234CC..Hα-helixtrans-62.5-48.5175.2-61.20000110.8I659 D660 L665 L666 G667 K668I659-S663 VanDerWaalsContact O-CB 3.28Å; I659-S663 WeakPolarHBondContact O-CB 3.39Å; I659-S663 PolarHBondContact O-N 3.08Å; I659-S663 PolarHBondContact O-OG 2.92Å; D660-S663 PolarHBondContact O-N 2.89Å; S663-L665 VanDerWaalsContact C-N 3.32Å; S663-L665 PolarHBondContact O-N 2.69Å; S663-L666 CarbonylContact O-C 3.08Å; S663-L666 PolarHBondContact O-N 3.22Å; S663-L666 VanDerWaalsContact O-N 3.13Å; S663-G667 PolarHBondContact O-N 2.98Å; S663-G667 VanDerWaalsContact O-N 3.15Å; S663-K668 CarbonylContact C-O 3.51Å; S663-K668 WeakPolarHBondContact O-CA 3.33Å; S663-K668 WeakPolarHBondContact O-CB 3.41Å; S663-K668 PolarHBondContact O-N 3Å
664A94.8Very high93.5Very high8 Ų839 Ų397%0.06622%0.223CC..Hα-helixtrans-60.6-40.1176.100000112.8K542 D660 G661 L666 G667 M670K542-A664 HydrophobicContact CD-CB 3.97Å; K542-A664 HydrophobicContact CG-CB 3.87Å; D660-A664 WeakPolarHBondContact O-CB 3.49Å; D660-A664 PolarHBondContact O-N 3.34Å; G661-A664 PolarHBondContact O-N 3.45Å; A664-L666 VanDerWaalsContact C-N 3.26Å; A664-L666 PolarHBondContact O-N 3.29Å; A664-G667 PolarHBondContact O-N 2.82Å; A664-G667 VanDerWaalsContact O-N 3.09Å; A664-M670 HydrophobicContact CB-CG 4.07Å; A664-M670 HydrophobicContact CB-SD 4.03Å
665L94.6Very high93.7Very high30 Ų3038.3 Ų38.316%0.15722%0.22CC..Hα-helixtrans-62-34.5176.3-173.364.8000112.1L546 L572 H576 V603 G661 L662 S663 G667L546-L665 HydrophobicContact CD2-CB 4.22Å; L546-L665 HydrophobicContact CD2-CD1 4.01Å; L572-L665 HydrophobicContact CD1-CD1 4.41Å; L572-L665 HydrophobicContact CD1-CD2 3.9Å; L572-L665 HydrophobicContact CD2-CD1 3.99Å; L572-L665 HydrophobicContact CD2-CD2 4.22Å; H576-L665 HydrophobicContact CB-CD1 3.83Å; H576-L665 WeakPolarHBondContact O-CD1 3.44Å; V603-L665 HydrophobicContact CB-CD2 4.48Å; V603-L665 HydrophobicContact CG1-CD1 4.13Å; V603-L665 HydrophobicContact CG1-CD2 3.86Å; V603-L665 HydrophobicContact CG1-CG 3.66Å; V603-L665 HydrophobicContact CG2-CD1 4.46Å; V603-L665 HydrophobicContact CG2-CD2 3.73Å; V603-L665 HydrophobicContact CG2-CG 4.3Å; G661-L665 VanDerWaalsContact O-CB 3.23Å; G661-L665 WeakPolarHBondContact O-CB 3.47Å; G661-L665 PolarHBondContact O-N 2.91Å; L662-L665 HydrophobicContact CD2-CD2 4.42Å; L662-L665 PolarHBondContact O-N 3.4Å; S663-L665 VanDerWaalsContact C-N 3.32Å; S663-L665 PolarHBondContact O-N 2.69Å; L665-G667 VanDerWaalsContact C-N 3.33Å
666L93.9Very high93.5Very high48 Ų4843.5 Ų43.525%0.25124%0.243SC..THydrogen-bonded Turntrans-89.27.7176-62.2175000113.5I606 I609 L662 S663 A664 K668I606-L666 HydrophobicContact CB-CD2 4.04Å; I606-L666 HydrophobicContact CG2-CD1 3.9Å; I606-L666 HydrophobicContact CG2-CD2 3.93Å; I606-L666 HydrophobicContact CG2-CG 4.49Å; I609-L666 HydrophobicContact CD1-CD1 4.26Å; I609-L666 HydrophobicContact CG1-CD1 3.89Å; L662-L666 VanDerWaalsContact O-CG 3.28Å; L662-L666 WeakPolarHBondContact O-CG 3.39Å; L662-L666 PolarHBondContact O-N 3.29Å; S663-L666 CarbonylContact O-C 3.08Å; S663-L666 PolarHBondContact O-N 3.22Å; S663-L666 VanDerWaalsContact O-N 3.13Å; A664-L666 VanDerWaalsContact C-N 3.26Å; A664-L666 PolarHBondContact O-N 3.29Å; L666-K668 VanDerWaalsContact C-N 3.3Å; L666-K668 HydrophobicContact CB-CG 4.44Å; L666-K668 PolarHBondContact O-N 3.5Å
667G91.8Very high93.2Very high74 Ų7446.3 Ų46.376%0.76326%0.263SS*.THydrogen-bonded Turntrans68.424.9-179.100000114.5S663 A664 L665S663-G667 PolarHBondContact O-N 2.98Å; S663-G667 VanDerWaalsContact O-N 3.15Å; A664-G667 PolarHBondContact O-N 2.82Å; A664-G667 VanDerWaalsContact O-N 3.09Å; L665-G667 VanDerWaalsContact C-N 3.33Å
668K93.6Very high92.9Very high112 Ų11248.4 Ų48.449%0.48727%0.274SS..  trans-101.1159.1174.9-61.1-179.3-178.31760110.9S663 L666S663-K668 CarbonylContact C-O 3.51Å; S663-K668 WeakPolarHBondContact O-CA 3.33Å; S663-K668 WeakPolarHBondContact O-CB 3.41Å; S663-K668 PolarHBondContact O-N 3Å; L666-K668 VanDerWaalsContact C-N 3.3Å; L666-K668 HydrophobicContact CB-CG 4.44Å; L666-K668 PolarHBondContact O-N 3.5Å
669D91.8Very high92.7Very high149 Ų14949.7 Ų49.780%0.79728%0.28SS*.  trans-66.9140.2177.2-64-33.5000112.2
670M94.9Very high92.1Very high29 Ų2951.2 Ų51.214%0.14329%0.289CS..  trans-83.3113.7173.1-63.4-178.2-62.200109.3L538 I541 K542 R545 D660 A664 T675L538-M670 HydrophobicContact CD2-CE 4.44Å; I541-M670 HydrophobicContact CB-CE 4.18Å; I541-M670 HydrophobicContact CG2-CE 3.85Å; I541-M670 HydrophobicContact CG2-SD 4.36Å; K542-M670 HydrophobicContact CB-CE 3.8Å; K542-M670 HydrophobicContact CB-SD 4.2Å; R545-M670 HydrophobicContact CB-SD 4.49Å; R545-M670 HydrophobicContact CG-SD 3.86Å; D660-M670 HydrophobicContact CB-CB 3.93Å; D660-M670 HydrophobicContact CB-CG 3.82Å; D660-M670 HydrophobicContact CB-SD 4.07Å; D660-M670 WeakPolarHBondContact O-CG 3.28Å; A664-M670 HydrophobicContact CB-CG 4.07Å; A664-M670 HydrophobicContact CB-SD 4.03Å; M670-T675 HydrophobicContact CB-CG2 3.79Å; M670-T675 HydrophobicContact CE-CG2 4.29Å
671S89.9Confident91.4Very high84 Ų8454.8 Ų54.859%0.58731%0.311SS*.  trans-1140.9-168.868.50000115D660D660-S671 PolarHBondContact OD1-N 3.41Å
672S92Very high91Very high14 Ų1457.4 Ų57.410%0.09833%0.325CS..SBendtrans-66.8160.6-176.288.30000113.2C656 D660 L674 T675 K676C656-S672 WeakPolarHBondContact CB-OG 3.49Å; D660-S672 VanDerWaalsContact CG-OG 3.32Å; D660-S672 VanDerWaalsContact OD1-CB 3.3Å; D660-S672 WeakPolarHBondContact OD1-CB 3.39Å; D660-S672 PolarHBondContact OD1-N 2.98Å; D660-S672 VanDerWaalsContact OD1-N 3.11Å; D660-S672 PolarHBondContact OD1-OG 3.08Å; D660-S672 WeakPolarHBondContact OD2-CB 3.44Å; D660-S672 PolarHBondContact OD2-OG 3.29Å; S672-L674 PolarHBondContact O-N 3.4Å; S672-L674 PolarHBondContact OG-N 2.75Å; S672-T675 PolarHBondContact O-N 2.99Å; S672-T675 PolarHBondContact OG-N 3.48Å; S672-K676 WeakPolarHBondContact O-CG 3.35Å; S672-K676 PolarHBondContact O-N 3.35Å; S672-K676 VanDerWaalsContact O-N 3.16Å
673E86.8Confident90.5Very high150 Ų15057.4 Ų57.470%0.70133%0.325SS*.Hα-helixtrans-60.2-31.8172.4-66.5-178.9171.100112.2K676 S677E673-K676 PolarHBondContact O-N 3.16Å; E673-S677 WeakPolarHBondContact O-CB 3.48Å; E673-S677 PolarHBondContact O-N 3.37Å
674L90.1Very high89.9Confident29 Ų2956.8 Ų56.815%0.15232%0.32CS..Hα-helixtrans-66.8-45.2177.6-176.664.8000111Y653 C656 I657 S672 K676 S677 D678Y653-L674 HydrophobicContact CD2-CD1 3.97Å; Y653-L674 HydrophobicContact CD2-CD2 3.65Å; Y653-L674 HydrophobicContact CD2-CG 4.47Å; Y653-L674 HydrophobicContact CE2-CD1 4.05Å; Y653-L674 HydrophobicContact CE2-CD2 3.64Å; Y653-L674 HydrophobicContact CE2-CG 4.5Å; C656-L674 HydrophobicContact CB-CB 3.63Å; C656-L674 HydrophobicContact CB-CD2 3.92Å; C656-L674 HydrophobicContact CB-CG 4.46Å; I657-L674 HydrophobicContact CD1-CD2 3.6Å; I657-L674 HydrophobicContact CG1-CD2 3.9Å; S672-L674 PolarHBondContact O-N 3.4Å; S672-L674 PolarHBondContact OG-N 2.75Å; L674-K676 VanDerWaalsContact C-N 3.31Å; L674-K676 PolarHBondContact O-N 3.47Å; L674-S677 PolarHBondContact O-N 2.98Å; L674-D678 WeakPolarHBondContact O-CB 3.3Å; L674-D678 PolarHBondContact O-N 2.85Å
675T93.4Very high89.2Confident3 Ų361.8 Ų61.82%0.01834%0.344CS..Hα-helixtrans-63.5-38.6176.6-73.10000112.1L538 I541 R545 D660 M670 S672 D678 L679L538-T675 HydrophobicContact CD2-CG2 4.29Å; I541-T675 HydrophobicContact CG2-CG2 4.37Å; R545-T675 PolarHBondContact NH2-OG1 3.47Å; R545-T675 VanDerWaalsContact NH2-OG1 3.16Å; D660-T675 VanDerWaalsContact CG-OG1 3.27Å; D660-T675 WeakPolarHBondContact OD2-CB 3.49Å; D660-T675 PolarHBondContact OD2-OG1 3.06Å; M670-T675 HydrophobicContact CB-CG2 3.79Å; M670-T675 HydrophobicContact CE-CG2 4.29Å; S672-T675 PolarHBondContact O-N 2.99Å; S672-T675 PolarHBondContact OG-N 3.48Å; T675-D678 PolarHBondContact O-N 3.01Å; T675-L679 WeakPolarHBondContact O-CB 3.4Å; T675-L679 PolarHBondContact O-N 3.26Å
676K90Very high88.9Confident138 Ų13862.6 Ų62.660%0.635%0.347SS*.Hα-helixtrans-62.1-44.4174.2-67.8175.4-174.5175.80111.7S672 E673 L674 D680S672-K676 WeakPolarHBondContact O-CG 3.35Å; S672-K676 PolarHBondContact O-N 3.35Å; S672-K676 VanDerWaalsContact O-N 3.16Å; E673-K676 PolarHBondContact O-N 3.16Å; L674-K676 VanDerWaalsContact C-N 3.31Å; L674-K676 PolarHBondContact O-N 3.47Å; K676-D680 WeakPolarHBondContact O-CB 3.32Å; K676-D680 PolarHBondContact O-N 2.92Å
677S86.6Confident88.4Confident67 Ų6760.3 Ų60.347%0.46934%0.335SS..Hα-helixtrans-64.2-46177.9-174.50000112.3E673 L674 D680 T681E673-S677 WeakPolarHBondContact O-CB 3.48Å; E673-S677 PolarHBondContact O-N 3.37Å; L674-S677 PolarHBondContact O-N 2.98Å; S677-D680 PolarHBondContact O-N 2.85Å; S677-T681 WeakPolarHBondContact O-CB 3.43Å; S677-T681 PolarHBondContact O-N 3.33Å; S677-T681 PolarHBondContact O-OG1 3.25Å
678D89.1Confident87.8Confident44 Ų4462 Ų6224%0.23532%0.321CS..Hα-helixtrans-64.7-42.8178.6-72.1-10.6000110.8I541 R545 L674 T675 T681 L682I541-D678 HydrophobicContact CD1-CB 3.88Å; I541-D678 HydrophobicContact CG1-CB 4.2Å; R545-D678 IonicContact CZ-OD2 3.37Å; R545-D678 VanDerWaalsContact CZ-OD2 3.24Å; R545-D678 IonicContact NH1-OD2 2.98Å; R545-D678 PolarHBondContact NH1-OD2 3.23Å; R545-D678 IonicContact NH2-OD2 2.86Å; R545-D678 PolarHBondContact NH2-OD2 3.41Å; L674-D678 WeakPolarHBondContact O-CB 3.3Å; L674-D678 PolarHBondContact O-N 2.85Å; T675-D678 PolarHBondContact O-N 3.01Å; D678-T681 PolarHBondContact O-N 2.73Å; D678-L682 WeakPolarHBondContact O-CB 2.81Å; D678-L682 WeakPolarHBondContact O-CG 3.42Å; D678-L682 PolarHBondContact O-N 3.44Å
679L91.5Very high87.3Confident26 Ų2661.6 Ų61.614%0.13632%0.323CS..Hα-helixtrans-59.5-50.6176.117761.1000110.7Q534 I537 L538 I541 T675 T681 L683Q534-L679 HydrophobicContact CG-CD1 4.22Å; Q534-L679 HydrophobicContact CG-CD2 4.34Å; I537-L679 HydrophobicContact CB-CD1 4.05Å; I537-L679 HydrophobicContact CG2-CD1 3.69Å; L538-L679 HydrophobicContact CD2-CD1 4.22Å; L538-L679 HydrophobicContact CD2-CD2 4.06Å; L538-L679 HydrophobicContact CG-CD1 4.06Å; L538-L679 HydrophobicContact CG-CD2 4.35Å; I541-L679 HydrophobicContact CD1-CB 3.88Å; I541-L679 HydrophobicContact CD1-CD1 4.45Å; T675-L679 WeakPolarHBondContact O-CB 3.4Å; T675-L679 PolarHBondContact O-N 3.26Å; L679-T681 VanDerWaalsContact C-N 3.29Å; L679-T681 PolarHBondContact O-N 3.33Å; L679-L683 HydrophobicContact CD1-CB 4.43Å; L679-L683 HydrophobicContact CD1-CD2 4.24Å; L679-L683 HydrophobicContact CG-CD2 4.48Å; L679-L683 WeakPolarHBondContact O-CB 3.42Å; L679-L683 PolarHBondContact O-N 2.65Å
680D84Confident86.8Confident51 Ų5160 Ų6027%0.27331%0.306SS..Hα-helixtrans-62-40.3-179.5-159.647.2000111.5R530 K676 S677 S684R530-D680 IonicContact NH2-OD1 3.38Å; R530-D680 PolarHBondContact NH2-OD1 3.09Å; K676-D680 WeakPolarHBondContact O-CB 3.32Å; K676-D680 PolarHBondContact O-N 2.92Å; S677-D680 PolarHBondContact O-N 2.85Å; D680-S684 WeakPolarHBondContact O-CB 3.49Å; D680-S684 PolarHBondContact O-N 3.24Å
681T82.4Confident86.1Confident75 Ų7560.2 Ų60.246%0.4631%0.308SS..Hα-helixtrans-66.1-53179.1-55.50000112.1S677 D678 L679 S684 M685S677-T681 WeakPolarHBondContact O-CB 3.43Å; S677-T681 PolarHBondContact O-N 3.33Å; S677-T681 PolarHBondContact O-OG1 3.25Å; D678-T681 PolarHBondContact O-N 2.73Å; L679-T681 VanDerWaalsContact C-N 3.29Å; L679-T681 PolarHBondContact O-N 3.33Å; T681-S684 WeakPolarHBondContact O-CB 3.25Å; T681-S684 PolarHBondContact O-N 3.29Å; T681-M685 HydrophobicContact CG2-SD 4.39Å; T681-M685 WeakPolarHBondContact O-CG 3.34Å; T681-M685 PolarHBondContact O-N 2.85Å
682L88Confident85.6Confident56 Ų5660.5 Ų60.529%0.29330%0.302SS..Hα-helixtrans-69.2-41.6-176.4-69.4174.2000111.6I537 L540 I541 D678 S684 M685 E686I537-L682 HydrophobicContact CG2-CB 3.54Å; I537-L682 HydrophobicContact CG2-CD1 4.15Å; L540-L682 HydrophobicContact CD2-CD1 4.31Å; I541-L682 HydrophobicContact CD1-CD1 4.22Å; I541-L682 HydrophobicContact CG1-CD1 3.75Å; D678-L682 WeakPolarHBondContact O-CB 2.81Å; D678-L682 WeakPolarHBondContact O-CG 3.42Å; D678-L682 PolarHBondContact O-N 3.44Å; L682-S684 VanDerWaalsContact C-N 3.29Å; L682-S684 PolarHBondContact O-N 3.06Å; L682-M685 PolarHBondContact O-N 3.28Å; L682-E686 WeakPolarHBondContact O-CB 3.18Å; L682-E686 PolarHBondContact O-N 3.14Å
683L86.8Confident84.5Confident1 Ų167 Ų671%0.00534%0.336CS..Hα-helixtrans-64.2-38.5175-170.757.3000110.6R530 I533 Q534 I537 L679 E686 M687R530-L683 HydrophobicContact CG-CD1 4.09Å; R530-L683 HydrophobicContact CG-CD2 3.48Å; R530-L683 VanDerWaalsContact CG-CD2 3.48Å; R530-L683 HydrophobicContact CG-CG 3.85Å; R530-L683 VanDerWaalsContact NE-CD2 3.31Å; I533-L683 HydrophobicContact CB-CD1 4.14Å; I533-L683 HydrophobicContact CG2-CD1 3.78Å; Q534-L683 HydrophobicContact CB-CD2 4.34Å; I537-L683 HydrophobicContact CG1-CD1 4.18Å; L679-L683 HydrophobicContact CD1-CB 4.43Å; L679-L683 HydrophobicContact CD1-CD2 4.24Å; L679-L683 HydrophobicContact CG-CD2 4.48Å; L679-L683 WeakPolarHBondContact O-CB 3.42Å; L679-L683 PolarHBondContact O-N 2.65Å; L683-E686 PolarHBondContact O-N 2.74Å; L683-M687 HydrophobicContact CD1-CG 4.33Å; L683-M687 VanDerWaalsContact O-CB 3.31Å; L683-M687 WeakPolarHBondContact O-CB 3.41Å; L683-M687 WeakPolarHBondContact O-CG 3.45Å; L683-M687 PolarHBondContact O-N 2.74Å
684S81.1Confident83.7Confident5 Ų563.4 Ų63.44%0.03532%0.321CS..Hα-helixtrans-60.3-47.1173174.70000112.4S517 F521 D680 T681 L682 K688S517-S684 WeakPolarHBondContact OG-CB 3.35Å; S517-S684 PolarHBondContact OG-OG 3.31Å; F521-S684 VanDerWaalsContact CZ-CA 3.42Å; F521-S684 WeakPolarHBondContact CZ-O 3.35Å; D680-S684 WeakPolarHBondContact O-CB 3.49Å; D680-S684 PolarHBondContact O-N 3.24Å; T681-S684 WeakPolarHBondContact O-CB 3.25Å; T681-S684 PolarHBondContact O-N 3.29Å; L682-S684 VanDerWaalsContact C-N 3.29Å; L682-S684 PolarHBondContact O-N 3.06Å; S684-K688 WeakPolarHBondContact O-CG 3.46Å; S684-K688 PolarHBondContact O-N 2.59Å
685M81.7Confident82.6Confident113 Ų11368.4 Ų68.456%0.55734%0.344SS*.Hα-helixtrans-63-47.4177.8-70.7177.262.300112.3T681 L682 M687 K688 L689T681-M685 HydrophobicContact CG2-SD 4.39Å; T681-M685 WeakPolarHBondContact O-CG 3.34Å; T681-M685 PolarHBondContact O-N 2.85Å; L682-M685 PolarHBondContact O-N 3.28Å; M685-M687 PolarHBondContact O-N 3.43Å; M685-K688 WeakPolarHBondContact O-CB 3.13Å; M685-K688 PolarHBondContact O-N 3.41Å; M685-L689 WeakPolarHBondContact O-CG 3.37Å; M685-L689 PolarHBondContact O-N 3.48Å
686E86.9Confident81.2Confident47 Ų4776.1 Ų76.122%0.2239%0.385CS..Hα-helixtrans-63-43.5-179.1-178.159.4-159.200111.5I533 I537 L682 L683 K688 L689 R690I533-E686 HydrophobicContact CD1-CG 4.38Å; I533-E686 HydrophobicContact CG2-CG 3.8Å; I537-E686 HydrophobicContact CD1-CB 4.16Å; I537-E686 HydrophobicContact CD1-CG 4.33Å; L682-E686 WeakPolarHBondContact O-CB 3.18Å; L682-E686 PolarHBondContact O-N 3.14Å; L683-E686 PolarHBondContact O-N 2.74Å; E686-K688 PolarHBondContact O-N 3.43Å; E686-L689 WeakPolarHBondContact O-CB 3.39Å; E686-L689 PolarHBondContact O-N 3Å; E686-L689 VanDerWaalsContact O-N 3.14Å; E686-R690 WeakPolarHBondContact O-CG 3.41Å; E686-R690 PolarHBondContact O-N 2.83Å; E686-R690 IonicContact OE1-CZ 3.74Å; E686-R690 IonicContact OE1-NE 3.13Å; E686-R690 PolarHBondContact OE1-NE 2.86Å; E686-R690 IonicContact OE1-NH2 3.11Å; E686-R690 PolarHBondContact OE1-NH2 3.23Å
687M83Confident80.3Confident0 Ų074.4 Ų74.40%038%0.381CS..Hα-helixtrans-64.4-40.3176.4-69.3-67.5-61.200112F521 I526 L529 R530 I533 L683 M685 L689 R690 L691F521-M687 HydrophobicContact CD1-CB 3.95Å; F521-M687 HydrophobicContact CD1-CG 3.89Å; F521-M687 HydrophobicContact CE1-CB 3.13Å; F521-M687 HydrophobicContact CE1-CG 3.43Å; F521-M687 VanDerWaalsContact CE1-CG 3.43Å; F521-M687 HydrophobicContact CZ-CB 3.76Å; F521-M687 HydrophobicContact CZ-CG 4.48Å; I526-M687 HydrophobicContact CB-CE 4.33Å; I526-M687 HydrophobicContact CG2-CE 3.27Å; I526-M687 WeakPolarHBondContact O-CE 3.04Å; L529-M687 HydrophobicContact CB-CE 4.13Å; L529-M687 HydrophobicContact CB-SD 4.42Å; L529-M687 HydrophobicContact CD2-CE 3.85Å; L529-M687 HydrophobicContact CD2-SD 4.04Å; L529-M687 HydrophobicContact CG-CE 4.03Å; L529-M687 HydrophobicContact CG-SD 3.89Å; R530-M687 HydrophobicContact CB-CE 4.43Å; R530-M687 HydrophobicContact CB-SD 4.32Å; I533-M687 HydrophobicContact CD1-SD 3.81Å; L683-M687 HydrophobicContact CD1-CG 4.33Å; L683-M687 VanDerWaalsContact O-CB 3.31Å; L683-M687 WeakPolarHBondContact O-CB 3.41Å; L683-M687 WeakPolarHBondContact O-CG 3.45Å; L683-M687 PolarHBondContact O-N 2.74Å; M685-M687 PolarHBondContact O-N 3.43Å; M687-L689 VanDerWaalsContact C-N 3.25Å; M687-L689 PolarHBondContact O-N 3.19Å; M687-R690 PolarHBondContact O-N 3.2Å; M687-L691 HydrophobicContact CE-CD1 4.45Å; M687-L691 WeakPolarHBondContact O-CB 3.25Å; M687-L691 WeakPolarHBondContact O-CG 3.46Å; M687-L691 PolarHBondContact O-N 3Å
688K80.2Confident79.7Confident108 Ų10879.9 Ų79.947%0.4740%0.4SS..Hα-helixtrans-57.5-42172.7-76.1173.6-176.2174.70111S684 M685 E686 L691 L692S684-K688 WeakPolarHBondContact O-CG 3.46Å; S684-K688 PolarHBondContact O-N 2.59Å; M685-K688 WeakPolarHBondContact O-CB 3.13Å; M685-K688 PolarHBondContact O-N 3.41Å; E686-K688 PolarHBondContact O-N 3.43Å; K688-L691 PolarHBondContact O-N 2.96Å; K688-L692 WeakPolarHBondContact O-CG 3.01Å; K688-L692 PolarHBondContact O-N 3.01Å
689L82.1Confident78.9Confident104 Ų10480.5 Ų80.555%0.54540%0.402SS..Hα-helixtrans-62.4-44.8176-68.6172.8000112.2M685 E686 M687 L691 L692M685-L689 WeakPolarHBondContact O-CG 3.37Å; M685-L689 PolarHBondContact O-N 3.48Å; E686-L689 WeakPolarHBondContact O-CB 3.39Å; E686-L689 PolarHBondContact O-N 3Å; E686-L689 VanDerWaalsContact O-N 3.14Å; M687-L689 VanDerWaalsContact C-N 3.25Å; M687-L689 PolarHBondContact O-N 3.19Å; L689-L691 VanDerWaalsContact C-N 3.27Å; L689-L691 PolarHBondContact O-N 3.39Å; L689-L692 HydrophobicContact CD2-CD1 3.78Å; L689-L692 WeakPolarHBondContact O-CB 3.38Å; L689-L692 PolarHBondContact O-N 3.18Å
690R82.7Confident78.1Confident115 Ų11582.4 Ų82.443%0.43442%0.416SS..Hα-helixtrans-68-26.2178.5-62.7-64.2178105.48.8113.4L529 I533 E686 M687L529-R690 HydrophobicContact CD2-CB 4.27Å; I533-R690 HydrophobicContact CD1-CG 4.11Å; E686-R690 WeakPolarHBondContact O-CG 3.41Å; E686-R690 PolarHBondContact O-N 2.83Å; E686-R690 IonicContact OE1-CZ 3.74Å; E686-R690 IonicContact OE1-NE 3.13Å; E686-R690 PolarHBondContact OE1-NE 2.86Å; E686-R690 IonicContact OE1-NH2 3.11Å; E686-R690 PolarHBondContact OE1-NH2 3.23Å; M687-R690 PolarHBondContact O-N 3.2Å
691L79.7Confident77.6Confident34 Ų3488.1 Ų88.118%0.17844%0.441CS..Hα-helixtrans-93.9-4.4-179.6-63.1175.1000113.2I526 M687 K688 L689 D693 L694 E695 I699I526-L691 HydrophobicContact CD1-CD1 4.12Å; I526-L691 HydrophobicContact CG1-CD1 4.48Å; I526-L691 HydrophobicContact CG1-CD2 4.45Å; I526-L691 HydrophobicContact CG2-CD1 4.31Å; M687-L691 HydrophobicContact CE-CD1 4.45Å; M687-L691 WeakPolarHBondContact O-CB 3.25Å; M687-L691 WeakPolarHBondContact O-CG 3.46Å; M687-L691 PolarHBondContact O-N 3Å; K688-L691 PolarHBondContact O-N 2.96Å; L689-L691 VanDerWaalsContact C-N 3.27Å; L689-L691 PolarHBondContact O-N 3.39Å; L691-D693 VanDerWaalsContact C-N 3.31Å; L691-D693 PolarHBondContact O-N 3.02Å; L691-L694 HydrophobicContact CD2-CD1 4.12Å; L691-L694 CarbonylContact O-C 3.57Å; L691-L694 WeakPolarHBondContact O-CA 3.47Å; L691-L694 PolarHBondContact O-N 2.92Å; L691-E695 PolarHBondContact O-N 2.86Å; L691-I699 HydrophobicContact CD2-CD1 4Å
692L79.3Confident77.4Confident90 Ų9087.8 Ų87.847%0.47145%0.446SS..G310 helixtrans-54.3-44.6177.2-89.1162.6000112.3K688 L689 L694 E695K688-L692 WeakPolarHBondContact O-CG 3.01Å; K688-L692 PolarHBondContact O-N 3.01Å; L689-L692 HydrophobicContact CD2-CD1 3.78Å; L689-L692 WeakPolarHBondContact O-CB 3.38Å; L689-L692 PolarHBondContact O-N 3.18Å; L692-L694 PolarHBondContact O-N 3.33Å; L692-E695 WeakPolarHBondContact O-CB 3.4Å; L692-E695 PolarHBondContact O-N 3.2Å; L692-E695 VanDerWaalsContact O-N 3.13Å
693D68.8Low77Confident150 Ų15090.4 Ų90.480%0.80247%0.466SS*.G310 helixtrans-70-12.8-179.7-65.2-27.7000113L691L691-D693 VanDerWaalsContact C-N 3.31Å; L691-D693 PolarHBondContact O-N 3.02Å
694L71.1Confident76.8Confident75 Ų7594.9 Ų94.939%0.39350%0.496SS..G310 helixtrans-106.110.5177.9-59.8175.5000112.1L691 L692 N696 I697 I699L691-L694 HydrophobicContact CD2-CD1 4.12Å; L691-L694 CarbonylContact O-C 3.57Å; L691-L694 WeakPolarHBondContact O-CA 3.47Å; L691-L694 PolarHBondContact O-N 2.92Å; L692-L694 PolarHBondContact O-N 3.33Å; L694-N696 PolarHBondContact O-N 2.74Å; L694-I697 HydrophobicContact CD2-CD1 4.27Å; L694-I697 WeakPolarHBondContact O-CB 3.37Å; L694-I697 PolarHBondContact O-N 2.69Å; L694-I699 HydrophobicContact CD1-CD1 4.46Å; L694-I699 HydrophobicContact CD1-CG1 4.46Å
695E65.4Low77.1Confident135 Ų135100.2 Ų100.263%0.63153%0.53SS*.THydrogen-bonded Turntrans-62.5121.7179.9-161.1174-153.500110L691 L692 I697L691-E695 PolarHBondContact O-N 2.86Å; L692-E695 WeakPolarHBondContact O-CB 3.4Å; L692-E695 PolarHBondContact O-N 3.2Å; L692-E695 VanDerWaalsContact O-N 3.13Å; E695-I697 VanDerWaalsContact C-N 3.31Å; E695-I697 PolarHBondContact O-N 2.69Å
696N65Low77.4Confident165 Ų165102.6 Ų102.688%0.88254%0.543SS*.THydrogen-bonded Turntrans71.49.4-171.4-45.1-73.4000116.4L694L694-N696 PolarHBondContact O-N 2.74Å
697I71.9Confident77.4Confident101 Ų101105.6 Ų105.652%0.51857%0.567SS.*SBendtrans-97.7127.3170.6-57-177.7000108.7L694 E695 I699L694-I697 HydrophobicContact CD2-CD1 4.27Å; L694-I697 WeakPolarHBondContact O-CB 3.37Å; L694-I697 PolarHBondContact O-N 2.69Å; E695-I697 VanDerWaalsContact C-N 3.31Å; E695-I697 PolarHBondContact O-N 2.69Å; I697-I699 PolarHBondContact O-N 3.01Å; I697-I699 VanDerWaalsContact O-N 3.12Å
698Q72.4Confident77.5Confident183 Ų183115.2 Ų115.286%0.85561%0.609SS**  trans-68.1113176-172.3173.9300109.8P700Q698-P700 WeakPolarHBondContact O-CD 3.35Å
699I73.7Confident77.7Confident56 Ų56116.8 Ų116.829%0.28762%0.618SS.*  trans-72.2120.1176.9-62.5169.2000108P525 I526 L691 L694 I697P525-I699 HydrophobicContact CB-CG2 4.35Å; P525-I699 HydrophobicContact CG-CG2 4.25Å; I526-I699 HydrophobicContact CD1-CD1 3.69Å; I526-I699 HydrophobicContact CG1-CD1 4.17Å; L691-I699 HydrophobicContact CD2-CD1 4Å; L694-I699 HydrophobicContact CD1-CD1 4.46Å; L694-I699 HydrophobicContact CD1-CG1 4.46Å; I697-I699 PolarHBondContact O-N 3.01Å; I697-I699 VanDerWaalsContact O-N 3.12Å
700P74.1Confident77.8Confident66 Ų66115.4 Ų115.443%0.42962%0.615SS.*  trans-71.3138.8-178.130.1-34.7000110.6P525 Q698 A702 P704P525-P700 WeakPolarHBondContact CG-O 3.46Å; Q698-P700 WeakPolarHBondContact O-CD 3.35Å; P700-A702 WeakPolarHBondContact CB-O 3.38Å; P700-A702 PolarHBondContact O-N 3.09Å; P700-P704 HydrophobicContact CG-CG 4.44Å
701E73.9Confident77.9Confident171 Ų171116.5 Ų116.580%0.79964%0.641SS**SBendtrans-62.1-28.6178.3-69.5-175.1170.800112.9
702A77.7Confident77.9Confident69 Ų69118.1 Ų118.157%0.5766%0.655SS**SBendtrans-120.5134.6173.700000110P700P700-A702 WeakPolarHBondContact CB-O 3.38Å; P700-A702 PolarHBondContact O-N 3.09Å
703P79Confident78.1Confident110 Ų110120.8 Ų120.871%0.71466%0.66SS**PPolyproline II helixtrans-61.1132.2177.324.4-32.2000110.2
704P83.7Confident78.5Confident96 Ų96119.7 Ų119.762%0.62365%0.654SS**PPolyproline II helixtrans-55.5143.7173.7-23.933.2000110.9P700 I706P700-P704 HydrophobicContact CG-CG 4.44Å; P704-I706 PolarHBondContact O-N 3.41Å
705P87.5Confident78.8Confident117 Ų117122.6 Ų122.676%0.7666%0.663SS**PPolyproline II helixtrans-62.2134.9-179.626.2-33.8000110.3P707P705-P707 WeakPolarHBondContact O-CD 3.35Å
706I87.3Confident78.6Confident162 Ų162120.5 Ų120.583%0.83166%0.659SS**PPolyproline II helixtrans-63.8122.1171.9-57.2176.5000107.3P704P704-I706 PolarHBondContact O-N 3.41Å
707P87.1Confident78.6Confident111 Ų111121.4 Ų121.472%0.72165%0.652SS**PPolyproline II helixtrans-57.1153.7176.4-23.633.7000111.3P705 E709P705-P707 WeakPolarHBondContact O-CD 3.35Å; P707-E709 PolarHBondContact O-N 3.39Å
708K85.1Confident78Confident201 Ų201125 Ų12587%0.87467%0.666SS**PPolyproline II helixtrans-55.8140.6172-71-175.3179.2-179.10109.6
709E84.6Confident77Confident141 Ų141126.6 Ų126.666%0.65967%0.666SS**PPolyproline II helixtrans-52.5137.8175.1-67.5-174.1-167.100110P707 S711 Y713P707-E709 PolarHBondContact O-N 3.39Å; E709-S711 PolarHBondContact O-N 3.45Å; E709-Y713 PolarHBondContact OE2-OH 3.28Å
710P84.8Confident75.9Confident76 Ų76130.9 Ų130.949%0.49472%0.724SS.*PPolyproline II helixtrans-53.5136.9175.7-2534000110.2S712P710-S712 WeakPolarHBondContact CB-O 3.31Å; P710-S712 PolarHBondContact O-N 2.97Å
711S83.6Confident76Confident138 Ų138134.2 Ų134.297%0.96574%0.739SS**SBendtrans-66-8.1175.753.30000113.5E709E709-S711 PolarHBondContact O-N 3.45Å
712S80.3Confident76.1Confident67 Ų67132.2 Ų132.247%0.46974%0.736SS.*  trans-134.3127176.2-1780000109.5P710 D714P710-S712 WeakPolarHBondContact CB-O 3.31Å; P710-S712 PolarHBondContact O-N 2.97Å; S712-D714 VanDerWaalsContact C-N 3.25Å; S712-D714 WeakPolarHBondContact OG-CB 3.47Å; S712-D714 PolarHBondContact OG-N 3.3Å
713Y82.3Confident76Confident147 Ų147135.7 Ų135.758%0.57675%0.745SS**  trans-90.914169.6-56.6-86.2000112E709 F715E709-Y713 PolarHBondContact OE2-OH 3.28Å; Y713-F715 HydrophobicContact CD1-CE2 4.19Å; Y713-F715 HydrophobicContact CD1-CZ 4.04Å; Y713-F715 WeakPolarHBondContact O-CD2 3.12Å; Y713-F715 WeakPolarHBondContact O-CE2 3.1Å; Y713-F715 PolarHBondContact O-N 2.78Å
714D77.8Confident75.8Confident127 Ų127137.2 Ų137.268%0.67975%0.747SS**  trans-77.977.6171.6-165.313000109.3S712 V716S712-D714 VanDerWaalsContact C-N 3.25Å; S712-D714 WeakPolarHBondContact OG-CB 3.47Å; S712-D714 PolarHBondContact OG-N 3.3Å; D714-V716 PolarHBondContact O-N 3.46Å
715F78.1Confident75.3Confident135 Ų135139.8 Ų139.859%0.59276%0.755SS**  trans-73.690.5-179.1-58.6-74.8000110.2Y713 Y717Y713-F715 HydrophobicContact CD1-CE2 4.19Å; Y713-F715 HydrophobicContact CD1-CZ 4.04Å; Y713-F715 WeakPolarHBondContact O-CD2 3.12Å; Y713-F715 WeakPolarHBondContact O-CE2 3.1Å; Y713-F715 PolarHBondContact O-N 2.78Å; F715-Y717 PolarHBondContact O-N 2.83Å
716V61Low74.5Confident91 Ų91141.3 Ų141.355%0.55275%0.754SS**  trans-88.599.5169.5-164.40000108.4D714 H718D714-V716 PolarHBondContact O-N 3.46Å; V716-H718 VanDerWaalsContact C-N 3.35Å; V716-H718 PolarHBondContact O-N 3.35Å
717Y63.9Low73.6Confident185 Ų185139.9 Ų139.973%0.72575%0.749SS**  trans-6998.1162.3-71.8-84.6000107.5F715 Y719F715-Y717 PolarHBondContact O-N 2.83Å; Y717-Y719 VanDerWaalsContact C-N 3.26Å; Y717-Y719 PolarHBondContact O-N 2.9Å
718H60.4Low72.5Confident175 Ų175142.1 Ų142.181%0.8175%0.751SS**  trans-66.891.7165.4-77.8-62.1000108.1V716 G720V716-H718 VanDerWaalsContact C-N 3.35Å; V716-H718 PolarHBondContact O-N 3.35Å; H718-G720 PolarHBondContact O-N 2.83Å
719Y51.9Low71.5Confident217 Ų217137.2 Ų137.285%0.85174%0.741SS**  trans-70.790.7158.1-75.5-82.9000107.1Y717Y717-Y719 VanDerWaalsContact C-N 3.26Å; Y717-Y719 PolarHBondContact O-N 2.9Å
720G49.2Very low70.3Confident147 Ų147136.8 Ų136.8100%1.51575%0.748SS**  trans-93.40167.900000111H718H718-G720 PolarHBondContact O-N 2.83Å

Retrieved 720 of 720 residues in 377.6 ms (Link to these results)

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